| 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 | 41.8 | Very low | 40.3 | Very low | 239 Ų | 239 | 147.1 Ų | 147.1 | 100% | 1.177 | 80% | 0.804 | S | S | * | * | 0 | 113 | 0 | -69.5 | 163.7 | 178.3 | 0 | 0 | 106.2 | |||||
| 2 | A | 37.1 | Very low | 40.2 | Very low | 83 Ų | 83 | 155.9 Ų | 155.9 | 69% | 0.686 | 82% | 0.816 | S | S | * | * | 71.6 | 89.8 | 102.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 3 | T | 43.6 | Very low | 39.8 | Very low | 127 Ų | 127 | 150.2 Ų | 150.2 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | 68 | 135.2 | 84.7 | 62.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 4 | R | 45.7 | Very low | 39.3 | Very low | 210 Ų | 210 | 145.2 Ų | 145.2 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | cis | -172.6 | 161 | 9 | -132.1 | 179.7 | 161.8 | 178.2 | -9.4 | 109.5 | ||||
| 5 | I | 42.9 | Very low | 39.1 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 58% | 0.579 | 81% | 0.814 | S | S | * | * | trans | 53.6 | 144.5 | 135.6 | -79.9 | 176.9 | 0 | 0 | 0 | 120.1 | ||||
| 6 | E | 40.4 | Very low | 39 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 71% | 0.71 | 82% | 0.818 | S | S | * | * | cis | -175.3 | -165.6 | -11.1 | -160.2 | 150.6 | -127.4 | 0 | 0 | 109.7 | ||||
| 7 | E | 38.7 | Very low | 39.1 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | trans | -36.6 | 176.1 | 165.3 | -69.2 | -173.5 | 149.4 | 0 | 0 | 119.4 | ||||
| 8 | A | 38.4 | Very low | 39.2 | Very low | 89 Ų | 89 | 146.3 Ų | 146.3 | 74% | 0.736 | 83% | 0.827 | S | S | * | * | cis | 177.5 | 156.6 | -31.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 9 | A | 39.1 | Very low | 39.3 | Very low | 96 Ų | 96 | 143.4 Ų | 143.4 | 79% | 0.793 | 82% | 0.823 | S | S | * | * | trans | -162.5 | 127 | 152.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 10 | R | 40.2 | Very low | 39.3 | Very low | 255 Ų | 255 | 143.7 Ų | 143.7 | 96% | 0.962 | 83% | 0.827 | S | S | * | * | cis | 76.6 | 97.9 | 46 | -77 | -164.1 | 171.2 | -166.1 | 0.9 | 116.1 | ||||
| 11 | G | 35.3 | Very low | 39.2 | Very low | 78 Ų | 78 | 146.4 Ų | 146.4 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | 111 | 163.3 | 140 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 12 | R | 39.5 | Very low | 38.7 | Very low | 253 Ų | 253 | 138.8 Ų | 138.8 | 96% | 0.955 | 82% | 0.815 | S | S | * | * | cis | -167.6 | 127.8 | -18.8 | -159.3 | 180 | -162.2 | -120.3 | 5.2 | 111 | ||||
| 13 | G | 34 | Very low | 38.7 | Very low | 82 Ų | 82 | 144.5 Ų | 144.5 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | trans | 74.7 | 167.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 14 | G | 33.9 | Very low | 38.3 | Very low | 80 Ų | 80 | 142.5 Ų | 142.5 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | cis | 144.9 | 124.6 | -10.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 15 | G | 35.5 | Very low | 37.7 | Very low | 72 Ų | 72 | 136.1 Ų | 136.1 | 74% | 0.742 | 83% | 0.832 | S | S | * | * | trans | 80.8 | 157.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 16 | T | 37.5 | Very low | 37.5 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 87% | 0.871 | 85% | 0.85 | S | S | * | * | cis | -154.7 | 164.1 | -6.6 | -16.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 17 | E | 41.6 | Very low | 37.6 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 87% | 0.874 | 86% | 0.858 | S | S | * | * | trans | -69.8 | 145.6 | 169.3 | -58.5 | 163.7 | 118.6 | 0 | 0 | 110.9 | ||||
| 18 | E | 40.4 | Very low | 37.7 | Very low | 200 Ų | 200 | 147.9 Ų | 147.9 | 94% | 0.935 | 86% | 0.864 | S | S | * | * | -156 | 158.2 | 128.2 | -141.3 | 169.6 | -161.1 | 0 | 0 | 110.1 | |||||
| 19 | A | 40.2 | Very low | 37.6 | Very low | 91 Ų | 91 | 147.2 Ų | 147.2 | 75% | 0.752 | 87% | 0.866 | S | S | * | * | trans | -117.3 | 153.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 20 | T | 39.3 | Very low | 37.5 | Very low | 148 Ų | 148 | 148.4 Ų | 148.4 | 91% | 0.908 | 87% | 0.868 | S | S | * | * | trans | -147.7 | 147.1 | 162 | 7.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 21 | E | 37.3 | Very low | 38 | Very low | 202 Ų | 202 | 142.3 Ų | 142.3 | 94% | 0.944 | 86% | 0.861 | S | S | * | * | trans | -85.2 | 158.4 | -174.3 | -57.2 | 170.6 | 121.4 | 0 | 0 | 111.6 | ||||
| 22 | G | 32.8 | Very low | 38.1 | Very low | 78 Ų | 78 | 150.1 Ų | 150.1 | 80% | 0.804 | 87% | 0.866 | S | S | * | * | trans | 179.3 | 71.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 23 | E | 36.1 | Very low | 38 | Very low | 203 Ų | 203 | 146.8 Ų | 146.8 | 95% | 0.949 | 86% | 0.862 | S | S | * | * | trans | 20.1 | 127.2 | 157.3 | -58.6 | -170.6 | 106.5 | 0 | 0 | 122.9 | ||||
| 24 | G | 35 | Very low | 38 | Very low | 86 Ų | 86 | 152.2 Ų | 152.2 | 89% | 0.887 | 86% | 0.862 | S | S | * | * | trans | 97.3 | 158.6 | 131.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 25 | G | 34.3 | Very low | 38 | Very low | 75 Ų | 75 | 157.6 Ų | 157.6 | 77% | 0.773 | 86% | 0.863 | S | S | * | * | trans | 125.5 | 46.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 26 | E | 38.8 | Very low | 37.8 | Very low | 203 Ų | 203 | 163.1 Ų | 163.1 | 95% | 0.949 | 87% | 0.87 | S | S | * | * | trans | 62 | 175.8 | 150.3 | -62.3 | -157.7 | 89.8 | 0 | 0 | 121.1 | ||||
| 27 | R | 41.1 | Very low | 37.7 | Very low | 233 Ų | 233 | 164 Ų | 164 | 88% | 0.879 | 87% | 0.867 | S | S | * | * | trans | -119.4 | 139 | -173.1 | -53.5 | 169.6 | -178.4 | 165.5 | -1 | 110.9 | ||||
| 28 | R | 42.1 | Very low | 37.3 | Very low | 253 Ų | 253 | 163.9 Ų | 163.9 | 96% | 0.955 | 87% | 0.867 | S | S | * | * | trans | -167.7 | 124.5 | 137.6 | -106.2 | 160.5 | -149.2 | -96.4 | 2.6 | 110.8 | ||||
| 29 | G | 35.5 | Very low | 37 | Very low | 75 Ų | 75 | 160.7 Ų | 160.7 | 77% | 0.773 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 146.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 30 | S | 36.6 | Very low | 36.8 | Very low | 121 Ų | 121 | 165.1 Ų | 165.1 | 85% | 0.846 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 136.8 | 174.8 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | ||
| 31 | P | 51 | Low | 36.6 | Very low | 126 Ų | 126 | 167.3 Ų | 167.3 | 82% | 0.818 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 140.4 | 175.2 | 30.8 | -33.6 | 0 | 0 | 0 | 111.5 | ||
| 32 | R | 38.2 | Very low | 36.6 | Very low | 242 Ų | 242 | 166.8 Ų | 166.8 | 91% | 0.913 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 141 | 164.1 | -73.4 | -178.4 | 171.1 | -171.6 | -3.6 | 109.6 | ||
| 33 | Q | 36.4 | Very low | 36.9 | Very low | 183 Ų | 183 | 167.8 Ų | 167.8 | 86% | 0.855 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 144.4 | 164.4 | -71.8 | 170.3 | -46.9 | 0 | 0 | 110.3 | ||
| 34 | K | 34.9 | Very low | 36.9 | Very low | 196 Ų | 196 | 162 Ų | 162 | 85% | 0.852 | 86% | 0.862 | S | S | * | * | trans | -113.2 | 142.9 | 159.3 | -75.4 | -174.5 | 174.2 | -175.1 | 0 | 107.7 | ||||
| 35 | F | 32.8 | Very low | 37 | Very low | 194 Ų | 194 | 166.1 Ų | 166.1 | 85% | 0.851 | 86% | 0.862 | S | S | * | * | trans | -87.4 | 138 | 159.9 | -83.6 | -101.8 | 0 | 0 | 0 | 108.3 | ||||
| 36 | E | 32.3 | Very low | 37.1 | Very low | 187 Ų | 187 | 169 Ų | 169 | 87% | 0.874 | 87% | 0.868 | S | S | * | * | trans | -97.9 | 141.7 | 165.1 | -69.1 | 174 | 145.7 | 0 | 0 | 107.9 | ||||
| 37 | I | 36.3 | Very low | 36.9 | Very low | 160 Ų | 160 | 162.6 Ų | 162.6 | 82% | 0.821 | 86% | 0.857 | S | S | * | * | trans | -122 | 111.9 | 173.3 | -64.5 | 177.7 | 0 | 0 | 0 | 105.6 | ||||
| 38 | E | 31.4 | Very low | 36.5 | Very low | 185 Ų | 185 | 158.9 Ų | 158.9 | 86% | 0.864 | 85% | 0.854 | S | S | * | * | trans | -86.9 | 126.1 | -175.8 | -166.8 | 166.8 | -140 | 0 | 0 | 110 | ||||
| 39 | T | 34.4 | Very low | 35.9 | Very low | 133 Ų | 133 | 153.7 Ų | 153.7 | 82% | 0.816 | 84% | 0.84 | S | S | * | * | trans | -88.1 | 112.5 | 178.9 | 48.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 40 | M | 36.6 | Very low | 35.7 | Very low | 185 Ų | 185 | 156.6 Ų | 156.6 | 91% | 0.911 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 149.9 | 170.2 | -75.5 | -167.4 | 70.1 | 0 | 0 | 112.4 | ||
| 41 | E | 35.2 | Very low | 35.7 | Very low | 194 Ų | 194 | 159.2 Ų | 159.2 | 91% | 0.907 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -96 | 173.5 | -164.3 | -157.2 | 168.2 | -165.5 | 0 | 0 | 113.7 | ||
| 42 | E | 37 | Very low | 34.9 | Very low | 191 Ų | 191 | 162 Ų | 162 | 89% | 0.893 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 142.8 | -168.7 | -177.5 | 176 | -157.8 | 0 | 0 | 114.1 | ||
| 43 | A | 39.3 | Very low | 34.7 | Very low | 98 Ų | 98 | 158.4 Ų | 158.4 | 81% | 0.81 | 84% | 0.84 | S | S | * | * | trans | -154.8 | 126.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 44 | G | 35.5 | Very low | 34.8 | Very low | 83 Ų | 83 | 156.9 Ų | 156.9 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | trans | 88 | 105.7 | 143.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 45 | I | 37.6 | Very low | 34.7 | Very low | 172 Ų | 172 | 157.7 Ų | 157.7 | 88% | 0.882 | 84% | 0.838 | S | S | * | * | trans | -96.1 | 128.9 | 175 | -63.6 | 166.9 | 0 | 0 | 0 | 111.5 | ||||
| 46 | C | 35.8 | Very low | 34.9 | Very low | 134 Ų | 134 | 153.4 Ų | 153.4 | 91% | 0.905 | 83% | 0.831 | S | S | * | * | trans | -169.1 | 143 | 150.6 | -101.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 47 | G | 34.4 | Very low | 34.8 | Very low | 69 Ų | 69 | 152.5 Ų | 152.5 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | cis | 141.9 | 75.6 | -2.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 48 | L | 33.7 | Very low | 34.9 | Very low | 155 Ų | 155 | 150.2 Ų | 150.2 | 81% | 0.812 | 83% | 0.831 | S | S | * | * | trans | -159 | 107.6 | 171.9 | -98 | 153.1 | 0 | 0 | 0 | 107.7 | ||||
| 49 | E | 29.5 | Very low | 34.9 | Very low | 144 Ų | 144 | 150.3 Ų | 150.3 | 67% | 0.673 | 83% | 0.831 | S | S | * | * | 69.4 | 93.2 | 98.5 | -161.5 | -176.6 | 173 | 0 | 0 | 113.9 | K51 | E49-K51 VanDerWaalsContact OE1-CE 3.22Å; E49-K51 WeakPolarHBondContact OE1-CE 3.11Å; E49-K51 IonicContact OE1-NZ 2.61Å | |||
| 50 | V | 31.8 | Very low | 35.2 | Very low | 137 Ų | 137 | 147.9 Ų | 147.9 | 83% | 0.83 | 82% | 0.824 | S | S | * | * | trans | -96.8 | 132.8 | 166.6 | 175.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 51 | K | 34.7 | Very low | 35.1 | Very low | 175 Ų | 175 | 146.7 Ų | 146.7 | 76% | 0.761 | 82% | 0.822 | S | S | * | * | trans | -102.1 | 133.6 | 164.4 | -74.6 | -175.5 | 179.5 | 172.3 | 0 | 110 | E49 | E49-K51 VanDerWaalsContact OE1-CE 3.22Å; E49-K51 WeakPolarHBondContact OE1-CE 3.11Å; E49-K51 IonicContact OE1-NZ 2.61Å | ||
| 52 | E | 35 | Very low | 35.2 | Very low | 185 Ų | 185 | 144.4 Ų | 144.4 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -105.1 | 130.5 | -180 | -179.2 | 172.8 | -133.4 | 0 | 0 | 107.5 | ||||
| 53 | D | 34 | Very low | 35.1 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -145.2 | 134.9 | 172.2 | -119.3 | -36.6 | 0 | 0 | 0 | 109.6 | ||||
| 54 | M | 38.6 | Very low | 34.9 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | trans | -82.7 | 148 | -174.5 | -66.1 | 166 | 50.4 | 0 | 0 | 111.4 | ||||
| 55 | F | 32.7 | Very low | 35 | Very low | 212 Ų | 212 | 148.4 Ų | 148.4 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | trans | -154.1 | 119.6 | 131.5 | -105.4 | -68.4 | 0 | 0 | 0 | 111.5 | ||||
| 56 | C | 37.4 | Very low | 34.7 | Very low | 104 Ų | 104 | 147.6 Ų | 147.6 | 70% | 0.703 | 80% | 0.795 | S | S | * | * | trans | -88.9 | 143.1 | 164 | -57.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 57 | N | 30.4 | Very low | 34.8 | Very low | 168 Ų | 168 | 148.3 Ų | 148.3 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | -149.9 | 139.7 | 143.9 | -138 | -13.2 | 0 | 0 | 0 | 110.7 | ||||
| 58 | S | 38.1 | Very low | 34.6 | Very low | 112 Ų | 112 | 151.5 Ų | 151.5 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -117.4 | 140.2 | -176.3 | -55.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 59 | Q | 31.9 | Very low | 34.8 | Very low | 188 Ų | 188 | 149.6 Ų | 149.6 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -146.8 | 126.2 | 152.6 | -156.2 | 159.4 | 29.2 | 0 | 0 | 110.7 | ||||
| 60 | A | 39.3 | Very low | 35 | Very low | 81 Ų | 81 | 147.6 Ų | 147.6 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | trans | -102 | 166.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 61 | N | 35.4 | Very low | 35.1 | Very low | 160 Ų | 160 | 147.3 Ų | 147.3 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -159.1 | 120.7 | 148.5 | -92.8 | -36.9 | 0 | 0 | 0 | 109 | ||||
| 62 | D | 37.3 | Very low | 34.8 | Very low | 146 Ų | 146 | 143 Ų | 143 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -74.1 | 166 | 162.1 | -66.5 | -68.1 | 0 | 0 | 0 | 110.9 | ||||
| 63 | I | 35.3 | Very low | 34.8 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 91% | 0.908 | 79% | 0.789 | S | S | * | * | trans | -160.4 | 155.2 | 136.4 | -106.6 | 155.3 | 0 | 0 | 0 | 110.7 | ||||
| 64 | L | 34 | Very low | 34.7 | Very low | 134 Ų | 134 | 136 Ų | 136 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | trans | -86.1 | 153.8 | -160.7 | -104.3 | 69.2 | 0 | 0 | 0 | 116.7 | ||||
| 65 | Q | 37.2 | Very low | 34.3 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | trans | 18.4 | 125.4 | 131.6 | -57.6 | 171.3 | -9.1 | 0 | 0 | 119.7 | ||||
| 66 | H | 33.1 | Very low | 34.3 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | 174.8 | 129.6 | 104.6 | -91.2 | -76.9 | 0 | 0 | 0 | 107.6 | |||||
| 67 | Q | 37.6 | Very low | 34.1 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 70% | 0.696 | 78% | 0.78 | S | S | * | * | 80.3 | 126.6 | 64.9 | -118 | -166.8 | -31 | 0 | 0 | 116.1 | |||||
| 68 | D | 30.1 | Very low | 34 | Very low | 136 Ų | 136 | 134 Ų | 134 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 81.2 | 135.6 | 153.6 | -57.8 | -17.5 | 0 | 0 | 0 | 124.1 | ||||
| 69 | S | 38.2 | Very low | 33.7 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 106.1 | 94.4 | 134.8 | -139 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 70 | S | 32.8 | Very low | 33.8 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | 89 | 127.5 | 114.4 | -157.6 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 71 | C | 34.6 | Very low | 33.5 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 89% | 0.892 | 77% | 0.774 | S | S | * | * | trans | 69.3 | 138.7 | 143 | -93.6 | 0 | 0 | 0 | 0 | 125 | ||||
| 72 | G | 28.3 | Very low | 33.3 | Very low | 84 Ų | 84 | 131.5 Ų | 131.5 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | trans | 110.6 | 125 | 158.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 73 | G | 33.7 | Very low | 33.2 | Very low | 72 Ų | 72 | 132.2 Ų | 132.2 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | cis | 141.2 | 75.8 | -15.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 74 | T | 32.3 | Very low | 33.4 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -152.8 | 109.9 | 174.3 | 34.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 75 | T | 30.6 | Very low | 33.4 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | 83.6 | 112.5 | 77.1 | 57.7 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 76 | K | 32.6 | Very low | 33.6 | Very low | 194 Ų | 194 | 127.4 Ų | 127.4 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | 70.5 | 156.7 | 152.7 | -65.6 | -175.4 | 173.8 | -179.2 | 0 | 117.4 | ||||
| 77 | T | 32.8 | Very low | 33.8 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 68% | 0.681 | 77% | 0.772 | S | S | * | * | cis | -158.4 | 141.4 | 15.6 | -11.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 78 | H | 29.5 | Very low | 33.6 | Very low | 169 Ų | 169 | 128.4 Ų | 128.4 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | trans | 49.4 | 125.4 | 144.4 | -79.4 | -122.5 | 0 | 0 | 0 | 124.7 | ||||
| 79 | S | 31.2 | Very low | 33.7 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | -179.9 | 126.5 | 115.6 | -74.7 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 80 | L | 33 | Very low | 33.3 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | 61.9 | 135.3 | 92.6 | -64.6 | 166.6 | 0 | 0 | 0 | 113.6 | |||||
| 81 | E | 33.5 | Very low | 33.5 | Very low | 174 Ų | 174 | 133.6 Ų | 133.6 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | cis | -160.1 | 150 | 19.3 | -153.6 | 157.8 | -123.4 | 0 | 0 | 113.5 | ||||
| 82 | G | 32.1 | Very low | 33.4 | Very low | 63 Ų | 63 | 133.2 Ų | 133.2 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | trans | 62.8 | 172.1 | 164 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 83 | D | 34.8 | Very low | 33.9 | Very low | 160 Ų | 160 | 137.6 Ų | 137.6 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | cis | -178.2 | 165.6 | -32.2 | -109.6 | -47.1 | 0 | 0 | 0 | 108.5 | ||||
| 84 | E | 39.9 | Very low | 33.9 | Very low | 180 Ų | 180 | 139.9 Ų | 139.9 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | cis | -151.6 | 157.8 | -0.3 | -161.2 | -152.2 | 133.7 | 0 | 0 | 109.3 | ||||
| 85 | G | 33.6 | Very low | 33.9 | Very low | 67 Ų | 67 | 140.9 Ų | 140.9 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | trans | 81.5 | 153.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 86 | S | 40.7 | Very low | 33.8 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | cis | -160 | 144.7 | -12.6 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 87 | D | 36.8 | Very low | 33.6 | Very low | 151 Ų | 151 | 137 Ų | 137 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | trans | 51.4 | 153.9 | 144.7 | -69.1 | -0.6 | 0 | 0 | 0 | 123.9 | ||||
| 88 | F | 33.6 | Very low | 33.4 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 77% | 0.768 | 76% | 0.761 | S | S | * | * | cis | -168.2 | 161.8 | -26 | -172.3 | -144.7 | 0 | 0 | 0 | 108.8 | ||||
| 89 | I | 32.5 | Very low | 33.7 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 64% | 0.641 | 76% | 0.759 | S | S | * | * | trans | 60.2 | 116.8 | 169.2 | -45.1 | -172.7 | 0 | 0 | 0 | 118.9 | ||||
| 90 | T | 30 | Very low | 33.6 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | -153.9 | 130.9 | 114.3 | -69.8 | 0 | 0 | 0 | 0 | 110 | |||||
| 91 | K | 37.1 | Very low | 33.5 | Very low | 195 Ų | 195 | 140.2 Ų | 140.2 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | trans | -132.2 | 122.2 | 175.3 | -118.9 | -178.9 | -176.7 | 175.5 | 0 | 109.9 | ||||
| 92 | N | 33.7 | Very low | 33.3 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | trans | 47.2 | 114.6 | 137.5 | -167.6 | 15.3 | 0 | 0 | 0 | 119.5 | N94 | N92-N94 PolarHBondContact OD1-ND2 3.3Š| ||
| 93 | M | 38.3 | Very low | 33.2 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 86% | 0.862 | 77% | 0.772 | S | S | * | * | trans | -153.9 | 166.5 | 140 | -107.7 | -52.9 | 167.2 | 0 | 0 | 112 | ||||
| 94 | N | 32.3 | Very low | 33 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 64% | 0.642 | 77% | 0.774 | S | S | * | * | trans | -122.1 | 175.5 | -164 | -66.5 | -84.5 | 0 | 0 | 0 | 114 | N92 | N92-N94 PolarHBondContact OD1-ND2 3.3Š| ||
| 95 | L | 32.7 | Very low | 32.7 | Very low | 152 Ų | 152 | 139.5 Ų | 139.5 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | 92.7 | 104.6 | 135.3 | -121.9 | 66.5 | 0 | 0 | 0 | 120.9 | ||||
| 96 | V | 29.9 | Very low | 32.6 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | 77.7 | 143.7 | 122.4 | 161.8 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 97 | S | 28.6 | Very low | 32.2 | Very low | 112 Ų | 112 | 149 Ų | 149 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | 73 | 154.5 | 164.3 | -77.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 98 | S | 28.1 | Very low | 31.7 | Very low | 97 Ų | 97 | 148.9 Ų | 148.9 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | cis | -134.4 | 152.5 | 3.2 | -168.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 99 | A | 34.5 | Very low | 31.7 | Very low | 89 Ų | 89 | 147.4 Ų | 147.4 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | -74.1 | 154.9 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 100 | F | 29.7 | Very low | 32.1 | Very low | 202 Ų | 202 | 147.1 Ų | 147.1 | 89% | 0.886 | 78% | 0.777 | S | S | * | * | trans | -144.3 | 133.7 | 160.4 | -123.3 | -87.2 | 0 | 0 | 0 | 111 | ||||
| 101 | R | 31.2 | Very low | 32.1 | Very low | 213 Ų | 213 | 144.7 Ų | 144.7 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -73.1 | 136.4 | 166 | -92 | -180 | 165.7 | -168.1 | -3.5 | 108.9 | ||||
| 102 | A | 29.6 | Very low | 32 | Very low | 102 Ų | 102 | 146.6 Ų | 146.6 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -117.2 | 102.7 | 154.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 103 | Q | 30.5 | Very low | 32 | Very low | 155 Ų | 155 | 149 Ų | 149 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | trans | -111.9 | 94.4 | 172.7 | 176.5 | -177.5 | -25.2 | 0 | 0 | 107 | ||||
| 104 | E | 29.2 | Very low | 31.6 | Very low | 192 Ų | 192 | 145.5 Ų | 145.5 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | -103.9 | 113 | 174 | -70.6 | -164.2 | 142.7 | 0 | 0 | 110.7 | ||||
| 105 | S | 33.3 | Very low | 31.8 | Very low | 114 Ų | 114 | 151.2 Ų | 151.2 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -70.9 | 125.8 | 164.8 | 48 | 0 | 0 | 0 | 0 | 110 | ||||
| 106 | R | 31.6 | Very low | 31.9 | Very low | 207 Ų | 207 | 150.8 Ų | 150.8 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | trans | -116.5 | 96.5 | 160.4 | -174.5 | 174.7 | 178.2 | 175.9 | -0.8 | 109.9 | E108 | R106-E108 IonicContact CZ-OE2 2.69Å; R106-E108 IonicContact NE-OE2 3.71Å; R106-E108 PolarHBondContact NE-OE2 3.41Å; R106-E108 IonicContact NH2-OE2 3.63Å; R106-E108 PolarHBondContact NH2-OE2 3.16Å | ||
| 107 | E | 32.8 | Very low | 32 | Very low | 167 Ų | 167 | 147.9 Ų | 147.9 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | trans | -68.3 | 136.5 | 154.1 | -62.5 | -178.8 | 118.3 | 0 | 0 | 108.6 | ||||
| 108 | E | 27.4 | Very low | 32.9 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 70% | 0.696 | 80% | 0.799 | S | S | * | * | trans | -151.3 | 120.5 | 152.1 | -138.3 | 168.1 | 158.1 | 0 | 0 | 108.8 | R106 | R106-E108 IonicContact CZ-OE2 2.69Å; R106-E108 IonicContact NE-OE2 3.71Å; R106-E108 PolarHBondContact NE-OE2 3.41Å; R106-E108 IonicContact NH2-OE2 3.63Å; R106-E108 PolarHBondContact NH2-OE2 3.16Å | ||
| 109 | I | 32.3 | Very low | 33.6 | Very low | 144 Ų | 144 | 149.9 Ų | 149.9 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | trans | -102.6 | -175.8 | -171.7 | -23.3 | -179.8 | 0 | 0 | 0 | 109.7 | ||||
| 110 | P | 40.8 | Very low | 33.7 | Very low | 119 Ų | 119 | 153.6 Ų | 153.6 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | -92.6 | 141.3 | -113.4 | 36.7 | -26 | 0 | 0 | 0 | 114.4 | |||||
| 111 | G | 30.3 | Very low | 34.2 | Very low | 89 Ų | 89 | 146.6 Ų | 146.6 | 92% | 0.918 | 80% | 0.799 | S | S | * | * | trans | -94.6 | 94.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 112 | R | 34.8 | Very low | 34.5 | Very low | 235 Ų | 235 | 145.6 Ų | 145.6 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | trans | -146.7 | 122.7 | 158.3 | -150.3 | 178.6 | -159.6 | -77.6 | 1.1 | 111.8 | ||||
| 113 | E | 33.3 | Very low | 34.9 | Very low | 177 Ų | 177 | 147.9 Ų | 147.9 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -79.2 | 146.9 | -179 | -58.3 | 178.3 | 110.1 | 0 | 0 | 112.3 | ||||
| 114 | A | 31 | Very low | 35.4 | Very low | 100 Ų | 100 | 148.7 Ų | 148.7 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -149.7 | 102.1 | 157.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 115 | R | 36.2 | Very low | 36.3 | Very low | 241 Ų | 241 | 143.8 Ų | 143.8 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -80.2 | 127.5 | 169.5 | -74.2 | 177.5 | 170.3 | -125.4 | 4.1 | 109.8 | ||||
| 116 | T | 35 | Very low | 36.7 | Very low | 143 Ų | 143 | 145.5 Ų | 145.5 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -141.9 | 143.9 | 151.2 | -30.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 117 | G | 32.7 | Very low | 37.3 | Very low | 58 Ų | 58 | 139.2 Ų | 139.2 | 60% | 0.598 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 173.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 118 | P | 46 | Very low | 37.8 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 146.5 | 176.4 | 32.8 | -34.7 | 0 | 0 | 0 | 111.9 | ||
| 119 | P | 43.2 | Very low | 38.8 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 147.5 | 159 | 33.1 | -32 | 0 | 0 | 0 | 110.4 | ||
| 120 | D | 37.9 | Very low | 39.8 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 90% | 0.898 | 76% | 0.76 | S | S | * | * | trans | -118.3 | 156.7 | -179.6 | -172.6 | 16.7 | 0 | 0 | 0 | 110.3 | ||||
| 121 | G | 39.1 | Very low | 40.5 | Very low | 55 Ų | 55 | 136.5 Ų | 136.5 | 57% | 0.567 | 75% | 0.75 | S | S | * | * | trans | 91.2 | 161.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 122 | Q | 38 | Very low | 41.5 | Very low | 192 Ų | 192 | 140 Ų | 140 | 90% | 0.897 | 74% | 0.743 | S | S | * | * | trans | 68.7 | 128.2 | -179.5 | -51.5 | -177 | -91.3 | 0 | 0 | 114.1 | ||||
| 123 | Q | 38.3 | Very low | 42.5 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | cis | -138.9 | 84.6 | 21.1 | -61.7 | 176.4 | 15.8 | 0 | 0 | 113.9 | S125 | Q123-S125 PolarHBondContact O-N 2.72Š| ||
| 124 | D | 40.5 | Very low | 43.7 | Very low | 171 Ų | 171 | 131.1 Ų | 131.1 | 91% | 0.914 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 61.9 | 164.9 | -97.8 | -43.1 | 0 | 0 | 0 | 111.6 | ||
| 125 | S | 47.1 | Very low | 45 | Very low | 89 Ų | 89 | 131.5 Ų | 131.5 | 62% | 0.622 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128 | -25.6 | -170.6 | -63.4 | 0 | 0 | 0 | 0 | 115.9 | Q123 | Q123-S125 PolarHBondContact O-N 2.72Š|
| 126 | E | 41.7 | Very low | 46 | Very low | 151 Ų | 151 | 122 Ų | 122 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -87.2 | -14.6 | -176.3 | -63.5 | -159.3 | 119.2 | 0 | 0 | 114.4 | S128 N130 | E126-S128 VanDerWaalsContact C-N 3.34Å; E126-S128 PolarHBondContact O-N 3.25Å; E126-N130 PolarHBondContact O-ND2 3.22Å; E126-N130 VanDerWaalsContact O-ND2 3.1Å |
| 127 | C | 44.1 | Very low | 47.3 | Very low | 75 Ų | 75 | 122.3 Ų | 122.3 | 51% | 0.507 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -75.7 | -16 | -170.6 | -163.2 | 0 | 0 | 0 | 0 | 114.4 | K131 | C127-K131 WeakPolarHBondContact O-CD 3.39Å; C127-K131 VanDerWaalsContact O-CE 3.23Å; C127-K131 WeakPolarHBondContact O-CE 3.24Å; C127-K131 VanDerWaalsContact SG-CE 3.53Å; C127-K131 PolarHBondContact SG-NZ 2.78Å; C127-K131 VanDerWaalsContact SG-NZ 3.39Å |
| 128 | S | 45 | Very low | 48.8 | Very low | 84 Ų | 84 | 124.8 Ų | 124.8 | 59% | 0.587 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -82.2 | -55.7 | -177.4 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | E126 N130 K131 | E126-S128 VanDerWaalsContact C-N 3.34Å; E126-S128 PolarHBondContact O-N 3.25Å; S128-N130 PolarHBondContact O-N 3.09Å; S128-K131 PolarHBondContact O-N 3.47Å; S128-K131 VanDerWaalsContact O-N 3.17Å |
| 129 | R | 48.2 | Very low | 49.6 | Very low | 212 Ų | 212 | 123.2 Ų | 123.2 | 80% | 0.8 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -57.8 | -19.9 | -175.5 | -87.3 | -177.6 | 166.2 | 176.4 | -2.9 | 115.4 | ||
| 130 | N | 52.4 | Low | 50.6 | Low | 98 Ų | 98 | 122.6 Ų | 122.6 | 52% | 0.524 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -84.5 | -33.8 | -179.5 | -74.1 | -57.4 | 0 | 0 | 0 | 113.1 | E126 S128 E132 K133 T134 | E126-N130 PolarHBondContact O-ND2 3.22Å; E126-N130 VanDerWaalsContact O-ND2 3.1Å; S128-N130 PolarHBondContact O-N 3.09Å; N130-E132 PolarHBondContact O-N 3.2Å; N130-K133 PolarHBondContact O-N 3.14Å; N130-T134 PolarHBondContact O-N 3.48Å; N130-T134 PolarHBondContact O-OG1 3.4Å |
| 131 | K | 56.6 | Low | 52.1 | Low | 127 Ų | 127 | 120.1 Ų | 120.1 | 55% | 0.552 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.9 | -41.6 | -172.4 | -68.5 | 171.9 | -176.9 | 170.5 | 0 | 112.6 | C127 S128 K133 T134 L135 | C127-K131 WeakPolarHBondContact O-CD 3.39Å; C127-K131 VanDerWaalsContact O-CE 3.23Å; C127-K131 WeakPolarHBondContact O-CE 3.24Å; C127-K131 VanDerWaalsContact SG-CE 3.53Å; C127-K131 PolarHBondContact SG-NZ 2.78Å; C127-K131 VanDerWaalsContact SG-NZ 3.39Å; S128-K131 PolarHBondContact O-N 3.47Å; S128-K131 VanDerWaalsContact O-N 3.17Å; K131-K133 VanDerWaalsContact C-N 3.35Å; K131-K133 PolarHBondContact O-N 3.03Å; K131-T134 PolarHBondContact O-N 3.19Å; K131-L135 WeakPolarHBondContact O-CD1 3.46Å; K131-L135 PolarHBondContact O-N 3.49Å; K131-L135 VanDerWaalsContact O-N 3.07Å |
| 132 | E | 51.3 | Low | 53.4 | Low | 164 Ų | 164 | 120.2 Ų | 120.2 | 77% | 0.766 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.7 | -37.9 | 177.3 | -167.5 | 169.7 | -141.3 | 0 | 0 | 112.4 | N130 G136 | N130-E132 PolarHBondContact O-N 3.2Å; E132-G136 PolarHBondContact O-N 3.4Å |
| 133 | K | 55.1 | Low | 54.6 | Low | 156 Ų | 156 | 116.6 Ų | 116.6 | 68% | 0.678 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -72.3 | -29.7 | 175.1 | -72.2 | -177.1 | 176.4 | 179.8 | 0 | 113.4 | N130 K131 K137 | N130-K133 PolarHBondContact O-N 3.14Å; K131-K133 VanDerWaalsContact C-N 3.35Å; K131-K133 PolarHBondContact O-N 3.03Å; K133-K137 PolarHBondContact O-N 3.35Å |
| 134 | T | 57.6 | Low | 56 | Low | 69 Ų | 69 | 116 Ų | 116 | 42% | 0.423 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -71.8 | -48.7 | 175.2 | -53.3 | 0 | 0 | 0 | 0 | 110.8 | N130 K131 G136 K137 E138 | N130-T134 PolarHBondContact O-N 3.48Å; N130-T134 PolarHBondContact O-OG1 3.4Å; K131-T134 PolarHBondContact O-N 3.19Å; T134-G136 VanDerWaalsContact C-N 3.28Å; T134-G136 PolarHBondContact O-N 3.46Å; T134-K137 PolarHBondContact O-N 2.97Å; T134-E138 HydrophobicContact CG2-CG 4.47Å; T134-E138 PolarHBondContact O-N 3.49Å |
| 135 | L | 58.4 | Low | 57.1 | Low | 108 Ų | 108 | 110.4 Ų | 110.4 | 57% | 0.565 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -54.7 | -44 | 175.4 | -96.5 | 74.1 | 0 | 0 | 0 | 111.9 | K131 K137 E138 V139 | K131-L135 WeakPolarHBondContact O-CD1 3.46Å; K131-L135 PolarHBondContact O-N 3.49Å; K131-L135 VanDerWaalsContact O-N 3.07Å; L135-K137 PolarHBondContact O-N 3.35Å; L135-E138 PolarHBondContact O-N 2.87Å; L135-V139 WeakPolarHBondContact O-CG2 3.47Å; L135-V139 PolarHBondContact O-N 2.93Å |
| 136 | G | 57.2 | Low | 57.8 | Low | 41 Ų | 41 | 107.4 Ų | 107.4 | 42% | 0.423 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.8 | -30.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | E132 T134 | E132-G136 PolarHBondContact O-N 3.4Å; T134-G136 VanDerWaalsContact C-N 3.28Å; T134-G136 PolarHBondContact O-N 3.46Å |
| 137 | K | 63 | Low | 59 | Low | 149 Ų | 149 | 106.1 Ų | 106.1 | 65% | 0.648 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -79.4 | -37.9 | 174.5 | -71.5 | -179.7 | 176.4 | -175.7 | 0 | 112.4 | K133 T134 L135 L140 L141 | K133-K137 PolarHBondContact O-N 3.35Å; T134-K137 PolarHBondContact O-N 2.97Å; L135-K137 PolarHBondContact O-N 3.35Å; K137-L140 PolarHBondContact O-N 2.63Å; K137-L141 PolarHBondContact O-N 3.41Å |
| 138 | E | 65.2 | Low | 59.8 | Low | 110 Ų | 110 | 108.2 Ų | 108.2 | 51% | 0.514 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66 | -39.3 | 178.1 | -70.7 | 174.1 | 163.3 | 0 | 0 | 111.8 | T134 L135 L140 L141 L142 | T134-E138 HydrophobicContact CG2-CG 4.47Å; T134-E138 PolarHBondContact O-N 3.49Å; L135-E138 PolarHBondContact O-N 2.87Å; E138-L140 VanDerWaalsContact C-N 3.34Å; E138-L140 PolarHBondContact O-N 3.48Å; E138-L141 PolarHBondContact O-N 3.41Å; E138-L142 VanDerWaalsContact O-CB 3.29Å; E138-L142 WeakPolarHBondContact O-CB 3.14Å; E138-L142 PolarHBondContact O-N 3.41Å |
| 139 | V | 61.2 | Low | 60.7 | Low | 90 Ų | 90 | 106.3 Ų | 106.3 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 173.7 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | L135 L142 M143 | L135-V139 WeakPolarHBondContact O-CG2 3.47Å; L135-V139 PolarHBondContact O-N 2.93Å; V139-L142 PolarHBondContact O-N 2.9Å; V139-M143 WeakPolarHBondContact O-CB 3.42Å; V139-M143 PolarHBondContact O-N 3.48Å |
| 140 | L | 65.7 | Low | 61.2 | Low | 116 Ų | 116 | 101.7 Ų | 101.7 | 61% | 0.607 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.1 | -46.5 | 175.9 | -101 | 160.5 | 0 | 0 | 0 | 112.3 | K137 E138 M143 Q144 | K137-L140 PolarHBondContact O-N 2.63Å; E138-L140 VanDerWaalsContact C-N 3.34Å; E138-L140 PolarHBondContact O-N 3.48Å; L140-M143 PolarHBondContact O-N 2.97Å; L140-Q144 PolarHBondContact O-N 2.92Å |
| 141 | L | 68.3 | Low | 61.7 | Low | 115 Ų | 115 | 99.7 Ų | 99.7 | 60% | 0.602 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.6 | -39.6 | 175.8 | -76.9 | 166.4 | 0 | 0 | 0 | 112.2 | K137 E138 Q144 A145 | K137-L141 PolarHBondContact O-N 3.41Å; E138-L141 PolarHBondContact O-N 3.41Å; L141-Q144 PolarHBondContact O-N 3.44Å; L141-A145 WeakPolarHBondContact O-CB 3.45Å; L141-A145 PolarHBondContact O-N 3.4Å |
| 142 | L | 67.5 | Low | 62.2 | Low | 57 Ų | 57 | 98.1 Ų | 98.1 | 30% | 0.298 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 175.1 | -173.2 | 69.1 | 0 | 0 | 0 | 110.9 | E138 V139 Q144 A145 L146 K162 | E138-L142 VanDerWaalsContact O-CB 3.29Å; E138-L142 WeakPolarHBondContact O-CB 3.14Å; E138-L142 PolarHBondContact O-N 3.41Å; V139-L142 PolarHBondContact O-N 2.9Å; L142-Q144 VanDerWaalsContact C-N 3.31Å; L142-Q144 PolarHBondContact O-N 3.07Å; L142-A145 PolarHBondContact O-N 3.28Å; L142-L146 HydrophobicContact CG-CD1 4.05Å; L142-L146 WeakPolarHBondContact O-CB 3.39Å; L142-L146 VanDerWaalsContact O-CG 3.22Å; L142-L146 WeakPolarHBondContact O-CG 3.29Å; L142-L146 PolarHBondContact O-N 3.26Å; L142-K162 HydrophobicContact CD1-CB 4.47Å; L142-K162 HydrophobicContact CD1-CG 4.03Å |
| 143 | M | 63 | Low | 63.1 | Low | 116 Ų | 116 | 97.2 Ų | 97.2 | 57% | 0.571 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.1 | -31.3 | -179.9 | -168 | 149.6 | 61.6 | 0 | 0 | 112.7 | V139 L140 N147 | V139-M143 WeakPolarHBondContact O-CB 3.42Å; V139-M143 PolarHBondContact O-N 3.48Å; L140-M143 PolarHBondContact O-N 2.97Å; M143-N147 PolarHBondContact O-N 3.29Å |
| 144 | Q | 66.8 | Low | 63.9 | Low | 137 Ų | 137 | 93.7 Ų | 93.7 | 64% | 0.64 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.2 | -45.1 | 172.4 | -165.9 | 171.8 | 12.9 | 0 | 0 | 111.9 | L140 L141 L142 L146 N147 T148 | L140-Q144 PolarHBondContact O-N 2.92Å; L141-Q144 PolarHBondContact O-N 3.44Å; L142-Q144 VanDerWaalsContact C-N 3.31Å; L142-Q144 PolarHBondContact O-N 3.07Å; Q144-L146 VanDerWaalsContact C-N 3.29Å; Q144-L146 PolarHBondContact O-N 2.93Å; Q144-N147 PolarHBondContact O-N 3.01Å; Q144-T148 PolarHBondContact O-N 3.04Å |
| 145 | A | 64.1 | Low | 64.5 | Low | 54 Ų | 54 | 93.6 Ų | 93.6 | 45% | 0.446 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65 | -31.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | L141 L142 N147 T148 | L141-A145 WeakPolarHBondContact O-CB 3.45Å; L141-A145 PolarHBondContact O-N 3.4Å; L142-A145 PolarHBondContact O-N 3.28Å; A145-N147 VanDerWaalsContact C-N 3.31Å; A145-T148 PolarHBondContact O-OG1 2.81Å |
| 146 | L | 61.7 | Low | 65.3 | Low | 27 Ų | 27 | 94 Ų | 94 | 14% | 0.141 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -71.6 | -23 | 172.9 | -69.6 | 168.5 | 0 | 0 | 0 | 112.6 | L142 Q144 L149 K155 A158 L159 | L142-L146 HydrophobicContact CG-CD1 4.05Å; L142-L146 WeakPolarHBondContact O-CB 3.39Å; L142-L146 VanDerWaalsContact O-CG 3.22Å; L142-L146 WeakPolarHBondContact O-CG 3.29Å; L142-L146 PolarHBondContact O-N 3.26Å; Q144-L146 VanDerWaalsContact C-N 3.29Å; Q144-L146 PolarHBondContact O-N 2.93Å; L146-L149 HydrophobicContact CD2-CD1 4.48Å; L146-K155 HydrophobicContact CD2-CB 3.94Å; L146-K155 HydrophobicContact CD2-CG 4.38Å; L146-K155 VanDerWaalsContact CD2-O 3.24Å; L146-K155 WeakPolarHBondContact CD2-O 3.44Å; L146-K155 WeakPolarHBondContact O-CG 3.42Å; L146-K155 PolarHBondContact O-NZ 3.48Å; L146-A158 HydrophobicContact CD2-CB 4.16Å; L146-L159 HydrophobicContact CD1-CD1 4.09Å |
| 147 | N | 66 | Low | 66.2 | Low | 123 Ų | 123 | 95 Ų | 95 | 66% | 0.658 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -82.6 | -20.3 | 177.2 | -85.5 | -18.1 | 0 | 0 | 0 | 114.2 | M143 Q144 A145 L149 | M143-N147 PolarHBondContact O-N 3.29Å; Q144-N147 PolarHBondContact O-N 3.01Å; A145-N147 VanDerWaalsContact C-N 3.31Å; N147-L149 PolarHBondContact O-N 3.21Å |
| 148 | T | 62.7 | Low | 66.8 | Low | 119 Ų | 119 | 89.8 Ų | 89.8 | 73% | 0.73 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -7.3 | 171 | 35.1 | 0 | 0 | 0 | 0 | 114.5 | Q144 A145 | Q144-T148 PolarHBondContact O-N 3.04Å; A145-T148 PolarHBondContact O-OG1 2.81Å |
| 149 | L | 63.9 | Low | 67.5 | Low | 45 Ų | 45 | 87.7 Ų | 87.7 | 24% | 0.236 | 49% | 0.494 | C | S | . | . | trans | -96.7 | 126.3 | 178 | -57.5 | 172.1 | 0 | 0 | 0 | 109.3 | L146 N147 E154 K155 A158 | L146-L149 HydrophobicContact CD2-CD1 4.48Å; N147-L149 PolarHBondContact O-N 3.21Å; L149-E154 HydrophobicContact CB-CB 3.98Å; L149-E154 HydrophobicContact CD1-CB 4.12Å; L149-E154 HydrophobicContact CD2-CB 4.22Å; L149-E154 HydrophobicContact CG-CB 4.31Å; L149-K155 HydrophobicContact CB-CG 3.92Å; L149-K155 HydrophobicContact CD1-CG 4.39Å; L149-K155 WeakPolarHBondContact O-CE 3.38Å; L149-K155 PolarHBondContact O-NZ 3.2Å; L149-A158 HydrophobicContact CD1-CB 3.98Å | ||
| 150 | S | 57.8 | Low | 68.3 | Low | 115 Ų | 115 | 87 Ų | 87 | 80% | 0.804 | 49% | 0.493 | S | S | * | . | trans | -91.6 | -16.1 | -171.3 | 50.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 151 | T | 63 | Low | 69.1 | Low | 55 Ų | 55 | 88.1 Ų | 88.1 | 34% | 0.337 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -107.3 | 154.6 | 174.5 | 71.6 | 0 | 0 | 0 | 0 | 112.6 | E154 | T151-E154 WeakPolarHBondContact CB-OE2 3.47Å; T151-E154 PolarHBondContact N-OE2 2.93Å; T151-E154 VanDerWaalsContact N-OE2 3.14Å; T151-E154 WeakPolarHBondContact OG1-CG 3.22Å; T151-E154 PolarHBondContact OG1-N 3.04Å; T151-E154 PolarHBondContact OG1-OE2 3.37Å |
| 152 | P | 67.7 | Low | 69.8 | Low | 94 Ų | 94 | 88.3 Ų | 88.3 | 61% | 0.61 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -71.4 | -36.6 | 177.7 | 26.5 | -31 | 0 | 0 | 0 | 113.2 | E154 K155 L156 | P152-E154 PolarHBondContact O-N 3.34Å; P152-K155 PolarHBondContact O-N 3.17Å; P152-L156 PolarHBondContact O-N 2.86Å; P152-L156 VanDerWaalsContact O-N 3.16Å |
| 153 | E | 68.5 | Low | 70.3 | Confident | 145 Ų | 145 | 93.7 Ų | 93.7 | 68% | 0.678 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -53.6 | -47.4 | 173.7 | -90.7 | 71.4 | -166.8 | 0 | 0 | 112.8 | K155 L156 A157 | E153-K155 VanDerWaalsContact C-N 3.33Å; E153-K155 PolarHBondContact O-N 3.04Å; E153-L156 PolarHBondContact O-N 3.47Å; E153-A157 WeakPolarHBondContact O-CB 3.46Å; E153-A157 PolarHBondContact O-N 3.25Å |
| 154 | E | 71.9 | Confident | 71.2 | Confident | 83 Ų | 83 | 90.9 Ų | 90.9 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | -178.4 | -72.4 | 166.9 | 134.6 | 0 | 0 | 112.1 | L149 T151 P152 L156 A157 A158 | L149-E154 HydrophobicContact CB-CB 3.98Å; L149-E154 HydrophobicContact CD1-CB 4.12Å; L149-E154 HydrophobicContact CD2-CB 4.22Å; L149-E154 HydrophobicContact CG-CB 4.31Å; T151-E154 WeakPolarHBondContact CB-OE2 3.47Å; T151-E154 PolarHBondContact N-OE2 2.93Å; T151-E154 VanDerWaalsContact N-OE2 3.14Å; T151-E154 WeakPolarHBondContact OG1-CG 3.22Å; T151-E154 PolarHBondContact OG1-N 3.04Å; T151-E154 PolarHBondContact OG1-OE2 3.37Å; P152-E154 PolarHBondContact O-N 3.34Å; E154-L156 VanDerWaalsContact C-N 3.34Å; E154-L156 PolarHBondContact O-N 3.21Å; E154-A157 PolarHBondContact O-N 3.07Å; E154-A158 WeakPolarHBondContact O-CB 3.45Å; E154-A158 PolarHBondContact O-N 3Å |
| 155 | K | 71.3 | Confident | 72 | Confident | 66 Ų | 66 | 87.5 Ų | 87.5 | 29% | 0.287 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 176.4 | -65.2 | 176.9 | -157.8 | -91.6 | 0 | 110.9 | L146 L149 P152 E153 L159 | L146-K155 HydrophobicContact CD2-CB 3.94Å; L146-K155 HydrophobicContact CD2-CG 4.38Å; L146-K155 VanDerWaalsContact CD2-O 3.24Å; L146-K155 WeakPolarHBondContact CD2-O 3.44Å; L146-K155 WeakPolarHBondContact O-CG 3.42Å; L146-K155 PolarHBondContact O-NZ 3.48Å; L149-K155 HydrophobicContact CB-CG 3.92Å; L149-K155 HydrophobicContact CD1-CG 4.39Å; L149-K155 WeakPolarHBondContact O-CE 3.38Å; L149-K155 PolarHBondContact O-NZ 3.2Å; P152-K155 PolarHBondContact O-N 3.17Å; E153-K155 VanDerWaalsContact C-N 3.33Å; E153-K155 PolarHBondContact O-N 3.04Å; K155-L159 WeakPolarHBondContact O-CB 3.44Å; K155-L159 PolarHBondContact O-N 3.28Å |
| 156 | L | 75.4 | Confident | 72.9 | Confident | 118 Ų | 118 | 90.3 Ų | 90.3 | 62% | 0.618 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.8 | -45.5 | 177.3 | -164.7 | 74.4 | 0 | 0 | 0 | 111.2 | P152 E153 E154 A158 L159 C160 | P152-L156 PolarHBondContact O-N 2.86Å; P152-L156 VanDerWaalsContact O-N 3.16Å; E153-L156 PolarHBondContact O-N 3.47Å; E154-L156 VanDerWaalsContact C-N 3.34Å; E154-L156 PolarHBondContact O-N 3.21Å; L156-A158 PolarHBondContact O-N 3.39Å; L156-L159 PolarHBondContact O-N 2.97Å; L156-C160 WeakPolarHBondContact O-CB 3.22Å; L156-C160 PolarHBondContact O-N 3.31Å; L156-C160 PolarHBondContact O-SG 2.87Å; L156-C160 VanDerWaalsContact O-SG 3.4Å |
| 157 | A | 75.3 | Confident | 74 | Confident | 61 Ų | 61 | 93.6 Ų | 93.6 | 50% | 0.504 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E153 E154 L159 K161 | E153-A157 WeakPolarHBondContact O-CB 3.46Å; E153-A157 PolarHBondContact O-N 3.25Å; E154-A157 PolarHBondContact O-N 3.07Å; A157-L159 VanDerWaalsContact C-N 3.34Å; A157-L159 PolarHBondContact O-N 3.18Å; A157-K161 WeakPolarHBondContact O-CB 3.26Å; A157-K161 PolarHBondContact O-N 3.26Å |
| 158 | A | 77 | Confident | 74.8 | Confident | 39 Ų | 39 | 93.2 Ų | 93.2 | 32% | 0.322 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L146 L149 E154 L156 K161 K162 | L146-A158 HydrophobicContact CD2-CB 4.16Å; L149-A158 HydrophobicContact CD1-CB 3.98Å; E154-A158 WeakPolarHBondContact O-CB 3.45Å; E154-A158 PolarHBondContact O-N 3Å; L156-A158 PolarHBondContact O-N 3.39Å; A158-K161 PolarHBondContact O-N 2.98Å; A158-K162 PolarHBondContact O-N 3.48Å |
| 159 | L | 78.4 | Confident | 75.8 | Confident | 66 Ų | 66 | 93.7 Ų | 93.7 | 35% | 0.346 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.7 | -44.3 | 179.9 | -155.2 | 156.3 | 0 | 0 | 0 | 111.1 | L146 K155 L156 A157 K161 K162 Y163 | L146-L159 HydrophobicContact CD1-CD1 4.09Å; K155-L159 WeakPolarHBondContact O-CB 3.44Å; K155-L159 PolarHBondContact O-N 3.28Å; L156-L159 PolarHBondContact O-N 2.97Å; A157-L159 VanDerWaalsContact C-N 3.34Å; A157-L159 PolarHBondContact O-N 3.18Å; L159-K161 PolarHBondContact O-N 3.02Å; L159-K162 PolarHBondContact O-N 3.02Å; L159-Y163 HydrophobicContact CD2-CD2 3.79Å; L159-Y163 HydrophobicContact CD2-CE2 3.72Å; L159-Y163 PolarHBondContact O-N 3.39Å; L159-Y163 VanDerWaalsContact O-N 3.09Å |
| 160 | C | 78 | Confident | 76.7 | Confident | 77 Ų | 77 | 95 Ų | 95 | 52% | 0.52 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 171.9 | -73 | 0 | 0 | 0 | 0 | 112.5 | L156 K162 Y163 A164 | L156-C160 WeakPolarHBondContact O-CB 3.22Å; L156-C160 PolarHBondContact O-N 3.31Å; L156-C160 PolarHBondContact O-SG 2.87Å; L156-C160 VanDerWaalsContact O-SG 3.4Å; C160-K162 PolarHBondContact O-N 3.47Å; C160-Y163 PolarHBondContact O-N 2.99Å; C160-A164 PolarHBondContact O-N 3.35Å |
| 161 | K | 82.3 | Confident | 78 | Confident | 138 Ų | 138 | 97 Ų | 97 | 60% | 0.6 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.7 | -46.2 | 174.8 | -177.6 | 174.8 | 178.5 | 178.2 | 0 | 111.4 | A157 A158 L159 Y163 A164 D165 | A157-K161 WeakPolarHBondContact O-CB 3.26Å; A157-K161 PolarHBondContact O-N 3.26Å; A158-K161 PolarHBondContact O-N 2.98Å; L159-K161 PolarHBondContact O-N 3.02Å; K161-Y163 VanDerWaalsContact C-N 3.33Å; K161-Y163 PolarHBondContact O-N 3.41Å; K161-A164 WeakPolarHBondContact O-CA 3.49Å; K161-A164 WeakPolarHBondContact O-CB 3.42Å; K161-A164 PolarHBondContact O-N 2.93Å; K161-D165 VanDerWaalsContact O-CG 3.28Å; K161-D165 PolarHBondContact O-N 3.43Å |
| 162 | K | 83.1 | Confident | 79.1 | Confident | 120 Ų | 120 | 97.3 Ų | 97.3 | 52% | 0.522 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -36 | 179.1 | -89.4 | -71.5 | 174.2 | -159.9 | 0 | 113.8 | L142 A158 L159 C160 D165 L166 | L142-K162 HydrophobicContact CD1-CB 4.47Å; L142-K162 HydrophobicContact CD1-CG 4.03Å; A158-K162 PolarHBondContact O-N 3.48Å; L159-K162 PolarHBondContact O-N 3.02Å; C160-K162 PolarHBondContact O-N 3.47Å; K162-D165 IonicContact NZ-OD2 3.8Å; K162-L166 WeakPolarHBondContact O-CB 3.42Å; K162-L166 PolarHBondContact O-N 3.2Å |
| 163 | Y | 79.3 | Confident | 80 | Confident | 169 Ų | 169 | 97.4 Ų | 97.4 | 66% | 0.663 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.4 | -36.5 | 171.3 | -90.8 | -91.8 | 0 | 0 | 0 | 112.6 | L159 C160 K161 L167 | L159-Y163 HydrophobicContact CD2-CD2 3.79Å; L159-Y163 HydrophobicContact CD2-CE2 3.72Å; L159-Y163 PolarHBondContact O-N 3.39Å; L159-Y163 VanDerWaalsContact O-N 3.09Å; C160-Y163 PolarHBondContact O-N 2.99Å; K161-Y163 VanDerWaalsContact C-N 3.33Å; K161-Y163 PolarHBondContact O-N 3.41Å; Y163-L167 WeakPolarHBondContact O-CB 3.4Å; Y163-L167 PolarHBondContact O-N 2.8Å |
| 164 | A | 81.3 | Confident | 80.8 | Confident | 57 Ų | 57 | 95.8 Ų | 95.8 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.5 | -47.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C160 K161 L166 L167 E168 | C160-A164 PolarHBondContact O-N 3.35Å; K161-A164 WeakPolarHBondContact O-CA 3.49Å; K161-A164 WeakPolarHBondContact O-CB 3.42Å; K161-A164 PolarHBondContact O-N 2.93Å; A164-L166 VanDerWaalsContact C-N 3.29Å; A164-L166 PolarHBondContact O-N 3.48Å; A164-L167 PolarHBondContact O-N 3.06Å; A164-E168 PolarHBondContact O-N 2.85Å |
| 165 | D | 83.5 | Confident | 81.5 | Confident | 66 Ų | 66 | 97.1 Ų | 97.1 | 35% | 0.353 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -51.6 | -49.1 | 174.9 | -63.7 | -18.4 | 0 | 0 | 0 | 110.5 | K161 K162 E168 E169 | K161-D165 VanDerWaalsContact O-CG 3.28Å; K161-D165 PolarHBondContact O-N 3.43Å; K162-D165 IonicContact NZ-OD2 3.8Å; D165-E168 PolarHBondContact O-N 3.27Å; D165-E169 WeakPolarHBondContact O-CB 3.38Å; D165-E169 PolarHBondContact O-N 2.92Å |
| 166 | L | 83.8 | Confident | 82.3 | Confident | 113 Ų | 113 | 99.3 Ų | 99.3 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -72.3 | -30.8 | -175.9 | -156.4 | 152.7 | 0 | 0 | 0 | 112.3 | K162 A164 S170 | K162-L166 WeakPolarHBondContact O-CB 3.42Å; K162-L166 PolarHBondContact O-N 3.2Å; A164-L166 VanDerWaalsContact C-N 3.29Å; A164-L166 PolarHBondContact O-N 3.48Å; L166-S170 VanDerWaalsContact O-CB 3.26Å; L166-S170 WeakPolarHBondContact O-CB 3.3Å; L166-S170 PolarHBondContact O-N 3.42Å |
| 167 | L | 83.4 | Confident | 82.9 | Confident | 96 Ų | 96 | 99.6 Ų | 99.6 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.7 | -37.5 | 171 | -123.3 | 168.7 | 0 | 0 | 0 | 112 | Y163 A164 R171 | Y163-L167 WeakPolarHBondContact O-CB 3.4Å; Y163-L167 PolarHBondContact O-N 2.8Å; A164-L167 PolarHBondContact O-N 3.06Å; L167-R171 WeakPolarHBondContact O-CB 3.44Å; L167-R171 WeakPolarHBondContact O-CD 3.42Å; L167-R171 VanDerWaalsContact O-CG 3.22Å; L167-R171 WeakPolarHBondContact O-CG 3.44Å; L167-R171 PolarHBondContact O-N 3.5Å |
| 168 | E | 83.7 | Confident | 83.6 | Confident | 115 Ų | 115 | 102.2 Ų | 102.2 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.6 | -42.1 | 173.4 | 176.3 | 147.9 | -145.1 | 0 | 0 | 111.8 | A164 D165 S170 R171 N172 | A164-E168 PolarHBondContact O-N 2.85Å; D165-E168 PolarHBondContact O-N 3.27Å; E168-S170 PolarHBondContact O-N 2.8Å; E168-R171 CarbonylContact O-C 3.59Å; E168-R171 WeakPolarHBondContact O-CB 3.45Å; E168-R171 PolarHBondContact O-N 3.17Å; E168-N172 WeakPolarHBondContact CG-ND2 3.43Å; E168-N172 WeakPolarHBondContact O-CB 3.47Å; E168-N172 PolarHBondContact O-N 3.48Å; E168-N172 PolarHBondContact O-ND2 3.39Å |
| 169 | E | 83.9 | Confident | 84.2 | Confident | 129 Ų | 129 | 104.2 Ų | 104.2 | 60% | 0.603 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.4 | -44.8 | 174.5 | -170.8 | 163.2 | -128.8 | 0 | 0 | 111.5 | D165 R171 N172 V173 | D165-E169 WeakPolarHBondContact O-CB 3.38Å; D165-E169 PolarHBondContact O-N 2.92Å; E169-R171 PolarHBondContact O-N 3.36Å; E169-N172 CarbonylContact O-C 3.58Å; E169-N172 PolarHBondContact O-N 3.12Å; E169-V173 WeakPolarHBondContact O-CG2 3.46Å; E169-V173 PolarHBondContact O-N 2.74Å |
| 170 | S | 81.7 | Confident | 84.6 | Confident | 73 Ų | 73 | 106.2 Ų | 106.2 | 51% | 0.51 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.2 | -45.3 | 171.8 | 179.9 | 0 | 0 | 0 | 0 | 112.5 | L166 E168 N172 V173 Q174 | L166-S170 VanDerWaalsContact O-CB 3.26Å; L166-S170 WeakPolarHBondContact O-CB 3.3Å; L166-S170 PolarHBondContact O-N 3.42Å; E168-S170 PolarHBondContact O-N 2.8Å; S170-N172 VanDerWaalsContact C-N 3.31Å; S170-N172 PolarHBondContact O-N 3.27Å; S170-V173 PolarHBondContact O-N 3.02Å; S170-Q174 WeakPolarHBondContact O-CB 3.38Å; S170-Q174 PolarHBondContact O-N 3.38Å |
| 171 | R | 86.7 | Confident | 85.2 | Confident | 157 Ų | 157 | 108.2 Ų | 108.2 | 59% | 0.592 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62 | -37.2 | 173.4 | -74.8 | 165.9 | 172.8 | 179 | -1.1 | 112 | L167 E168 E169 Q174 K175 | L167-R171 WeakPolarHBondContact O-CB 3.44Å; L167-R171 WeakPolarHBondContact O-CD 3.42Å; L167-R171 VanDerWaalsContact O-CG 3.22Å; L167-R171 WeakPolarHBondContact O-CG 3.44Å; L167-R171 PolarHBondContact O-N 3.5Å; E168-R171 CarbonylContact O-C 3.59Å; E168-R171 WeakPolarHBondContact O-CB 3.45Å; E168-R171 PolarHBondContact O-N 3.17Å; E169-R171 PolarHBondContact O-N 3.36Å; R171-Q174 PolarHBondContact O-N 3.44Å; R171-K175 VanDerWaalsContact O-CG 3.3Å; R171-K175 WeakPolarHBondContact O-CG 3.44Å; R171-K175 PolarHBondContact O-N 2.82Å |
| 172 | N | 85.6 | Confident | 85.6 | Confident | 62 Ų | 62 | 109.4 Ų | 109.4 | 33% | 0.332 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -74 | -39.8 | -179.8 | -71.6 | -25.8 | 0 | 0 | 0 | 112.3 | E168 E169 S170 Q174 K175 Q176 | E168-N172 WeakPolarHBondContact CG-ND2 3.43Å; E168-N172 WeakPolarHBondContact O-CB 3.47Å; E168-N172 PolarHBondContact O-N 3.48Å; E168-N172 PolarHBondContact O-ND2 3.39Å; E169-N172 CarbonylContact O-C 3.58Å; E169-N172 PolarHBondContact O-N 3.12Å; S170-N172 VanDerWaalsContact C-N 3.31Å; S170-N172 PolarHBondContact O-N 3.27Å; N172-Q174 VanDerWaalsContact C-N 3.32Å; N172-Q174 PolarHBondContact O-N 2.81Å; N172-K175 WeakPolarHBondContact O-CB 3.23Å; N172-K175 PolarHBondContact O-N 3.09Å; N172-K175 WeakPolarHBondContact OD1-CE 3.21Å; N172-K175 PolarHBondContact OD1-NZ 3.16Å; N172-Q176 WeakPolarHBondContact O-CG 3.49Å; N172-Q176 PolarHBondContact O-N 3.4Å |
| 173 | V | 85.4 | Confident | 86.1 | Confident | 96 Ų | 96 | 109.7 Ų | 109.7 | 58% | 0.582 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.3 | -42 | 168.2 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | E169 S170 K175 Q176 M177 | E169-V173 WeakPolarHBondContact O-CG2 3.46Å; E169-V173 PolarHBondContact O-N 2.74Å; S170-V173 PolarHBondContact O-N 3.02Å; V173-K175 PolarHBondContact O-N 3.04Å; V173-Q176 PolarHBondContact O-N 2.83Å; V173-M177 WeakPolarHBondContact O-CB 3.35Å; V173-M177 PolarHBondContact O-N 3.13Å |
| 174 | Q | 85.1 | Confident | 86.6 | Confident | 110 Ų | 110 | 107.9 Ų | 107.9 | 51% | 0.514 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.9 | -34 | 177 | -158.5 | -171.2 | 69.2 | 0 | 0 | 113 | S170 R171 N172 K178 | S170-Q174 WeakPolarHBondContact O-CB 3.38Å; S170-Q174 PolarHBondContact O-N 3.38Å; R171-Q174 PolarHBondContact O-N 3.44Å; N172-Q174 VanDerWaalsContact C-N 3.32Å; N172-Q174 PolarHBondContact O-N 2.81Å; Q174-K178 WeakPolarHBondContact O-CG 3.47Å; Q174-K178 PolarHBondContact O-N 3.48Å; Q174-K178 VanDerWaalsContact O-N 3.12Å |
| 175 | K | 87.9 | Confident | 87.1 | Confident | 112 Ų | 112 | 107.6 Ų | 107.6 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.1 | -49.3 | 169 | -70.1 | 166.9 | -162 | 166.7 | 0 | 110.6 | R171 N172 V173 M177 K178 I179 | R171-K175 VanDerWaalsContact O-CG 3.3Å; R171-K175 WeakPolarHBondContact O-CG 3.44Å; R171-K175 PolarHBondContact O-N 2.82Å; N172-K175 WeakPolarHBondContact O-CB 3.23Å; N172-K175 PolarHBondContact O-N 3.09Å; N172-K175 WeakPolarHBondContact OD1-CE 3.21Å; N172-K175 PolarHBondContact OD1-NZ 3.16Å; V173-K175 PolarHBondContact O-N 3.04Å; K175-M177 PolarHBondContact O-N 2.94Å; K175-K178 PolarHBondContact O-N 2.92Å; K175-I179 WeakPolarHBondContact O-CG1 3.39Å; K175-I179 PolarHBondContact O-N 2.94Å |
| 176 | Q | 87.8 | Confident | 87.5 | Confident | 111 Ų | 111 | 108.8 Ų | 108.8 | 52% | 0.519 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 178.8 | -72.7 | -70.3 | 13.4 | 0 | 0 | 112.1 | N172 V173 K178 I179 L180 | N172-Q176 WeakPolarHBondContact O-CG 3.49Å; N172-Q176 PolarHBondContact O-N 3.4Å; V173-Q176 PolarHBondContact O-N 2.83Å; Q176-K178 VanDerWaalsContact C-N 3.33Å; Q176-K178 PolarHBondContact O-N 3.25Å; Q176-I179 PolarHBondContact O-N 3.48Å; Q176-I179 VanDerWaalsContact O-N 3.09Å; Q176-L180 WeakPolarHBondContact O-CB 3.42Å; Q176-L180 WeakPolarHBondContact O-CG 3.4Å; Q176-L180 PolarHBondContact O-N 3.29Å |
| 177 | M | 87.4 | Confident | 87.9 | Confident | 125 Ų | 125 | 108.4 Ų | 108.4 | 62% | 0.616 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.6 | -43.8 | 174.9 | -170.6 | -179 | -173.7 | 0 | 0 | 111.5 | V173 K175 I179 L180 Q181 | V173-M177 WeakPolarHBondContact O-CB 3.35Å; V173-M177 PolarHBondContact O-N 3.13Å; K175-M177 PolarHBondContact O-N 2.94Å; M177-I179 VanDerWaalsContact C-N 3.33Å; M177-I179 PolarHBondContact O-N 3Å; M177-L180 PolarHBondContact O-N 3.22Å; M177-Q181 WeakPolarHBondContact O-CB 3.38Å; M177-Q181 PolarHBondContact O-N 3.35Å |
| 178 | K | 89.7 | Confident | 88.4 | Confident | 115 Ų | 115 | 107.7 Ų | 107.7 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.7 | -33.2 | 174.9 | -73.9 | 170.5 | 177.4 | 169.1 | 0 | 112.9 | Q174 K175 Q176 K182 | Q174-K178 WeakPolarHBondContact O-CG 3.47Å; Q174-K178 PolarHBondContact O-N 3.48Å; Q174-K178 VanDerWaalsContact O-N 3.12Å; K175-K178 PolarHBondContact O-N 2.92Å; Q176-K178 VanDerWaalsContact C-N 3.33Å; Q176-K178 PolarHBondContact O-N 3.25Å; K178-K182 WeakPolarHBondContact O-CB 3.44Å; K178-K182 WeakPolarHBondContact O-CG 3.29Å; K178-K182 PolarHBondContact O-N 3.49Å; K178-K182 VanDerWaalsContact O-N 3.13Å |
| 179 | I | 89.6 | Confident | 88.9 | Confident | 82 Ų | 82 | 109 Ų | 109 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.8 | -46.8 | 174.5 | -67.6 | 164.1 | 0 | 0 | 0 | 110.7 | K175 Q176 M177 K182 K183 | K175-I179 WeakPolarHBondContact O-CG1 3.39Å; K175-I179 PolarHBondContact O-N 2.94Å; Q176-I179 PolarHBondContact O-N 3.48Å; Q176-I179 VanDerWaalsContact O-N 3.09Å; M177-I179 VanDerWaalsContact C-N 3.33Å; M177-I179 PolarHBondContact O-N 3Å; I179-K182 PolarHBondContact O-N 2.79Å; I179-K183 WeakPolarHBondContact O-CG 3.38Å; I179-K183 PolarHBondContact O-N 3.21Å |
| 180 | L | 88.7 | Confident | 89.3 | Confident | 108 Ų | 108 | 107 Ų | 107 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.5 | -40.9 | 178 | -70 | 172.4 | 0 | 0 | 0 | 111.7 | Q176 M177 K182 K183 Q184 | Q176-L180 WeakPolarHBondContact O-CB 3.42Å; Q176-L180 WeakPolarHBondContact O-CG 3.4Å; Q176-L180 PolarHBondContact O-N 3.29Å; M177-L180 PolarHBondContact O-N 3.22Å; L180-K182 PolarHBondContact O-N 3.1Å; L180-K183 PolarHBondContact O-N 2.9Å; L180-Q184 WeakPolarHBondContact O-CB 3.38Å; L180-Q184 PolarHBondContact O-N 3.25Å |
| 181 | Q | 89.4 | Confident | 89.9 | Confident | 118 Ų | 118 | 109.7 Ų | 109.7 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.3 | -38 | 175 | -168 | 178.7 | 27.5 | 0 | 0 | 111.9 | M177 Q184 A185 | M177-Q181 WeakPolarHBondContact O-CB 3.38Å; M177-Q181 PolarHBondContact O-N 3.35Å; Q181-Q184 PolarHBondContact O-N 2.95Å; Q181-A185 WeakPolarHBondContact O-CB 3.47Å; Q181-A185 PolarHBondContact O-N 3.38Å |
| 182 | K | 91.4 | Very high | 90.3 | Very high | 164 Ų | 164 | 106.3 Ų | 106.3 | 71% | 0.713 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.3 | -44 | 170.5 | -79.7 | -178.4 | 176.5 | -172 | 0 | 112.2 | K178 I179 L180 A185 Q186 | K178-K182 WeakPolarHBondContact O-CB 3.44Å; K178-K182 WeakPolarHBondContact O-CG 3.29Å; K178-K182 PolarHBondContact O-N 3.49Å; K178-K182 VanDerWaalsContact O-N 3.13Å; I179-K182 PolarHBondContact O-N 2.79Å; L180-K182 PolarHBondContact O-N 3.1Å; K182-A185 PolarHBondContact O-N 2.91Å; K182-Q186 WeakPolarHBondContact O-CB 3.43Å; K182-Q186 PolarHBondContact O-N 3.46Å |
| 183 | K | 92.1 | Very high | 90.6 | Very high | 126 Ų | 126 | 108.5 Ų | 108.5 | 55% | 0.548 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 174.8 | -74.4 | -177.4 | 174.6 | -174.4 | 0 | 111.7 | I179 L180 Q186 I187 | I179-K183 WeakPolarHBondContact O-CG 3.38Å; I179-K183 PolarHBondContact O-N 3.21Å; L180-K183 PolarHBondContact O-N 2.9Å; K183-Q186 PolarHBondContact O-N 3.31Å; K183-I187 WeakPolarHBondContact O-CB 3.42Å; K183-I187 VanDerWaalsContact O-CG1 3.27Å; K183-I187 WeakPolarHBondContact O-CG1 3.47Å; K183-I187 PolarHBondContact O-N 3.48Å |
| 184 | Q | 90.6 | Very high | 91.1 | Very high | 130 Ų | 130 | 109.5 Ų | 109.5 | 61% | 0.607 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61 | -47.4 | 176 | -172.1 | -175.7 | 25.1 | 0 | 0 | 111.3 | L180 Q181 Q186 I187 V188 | L180-Q184 WeakPolarHBondContact O-CB 3.38Å; L180-Q184 PolarHBondContact O-N 3.25Å; Q181-Q184 PolarHBondContact O-N 2.95Å; Q184-Q186 VanDerWaalsContact C-N 3.28Å; Q184-Q186 PolarHBondContact O-N 3.14Å; Q184-I187 PolarHBondContact O-N 3.39Å; Q184-V188 WeakPolarHBondContact O-CB 3.27Å; Q184-V188 VanDerWaalsContact O-CG2 3.29Å; Q184-V188 WeakPolarHBondContact O-CG2 3.5Å; Q184-V188 PolarHBondContact O-N 2.86Å |
| 185 | A | 91.5 | Very high | 91.5 | Very high | 52 Ų | 52 | 109.3 Ų | 109.3 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.2 | -35.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q181 K182 K189 | Q181-A185 WeakPolarHBondContact O-CB 3.47Å; Q181-A185 PolarHBondContact O-N 3.38Å; K182-A185 PolarHBondContact O-N 2.91Å; A185-K189 WeakPolarHBondContact O-CG 3.23Å; A185-K189 PolarHBondContact O-N 2.98Å; A185-K189 VanDerWaalsContact O-N 3.14Å |
| 186 | Q | 93.2 | Very high | 91.8 | Very high | 91 Ų | 91 | 106.1 Ų | 106.1 | 43% | 0.425 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.4 | -48.6 | 174.8 | -177 | 60.6 | 20.5 | 0 | 0 | 111.8 | K182 K183 Q184 V188 K189 E190 | K182-Q186 WeakPolarHBondContact O-CB 3.43Å; K182-Q186 PolarHBondContact O-N 3.46Å; K183-Q186 PolarHBondContact O-N 3.31Å; Q184-Q186 VanDerWaalsContact C-N 3.28Å; Q184-Q186 PolarHBondContact O-N 3.14Å; Q186-V188 VanDerWaalsContact C-N 3.26Å; Q186-V188 PolarHBondContact O-N 2.94Å; Q186-K189 WeakPolarHBondContact O-CB 3.35Å; Q186-K189 PolarHBondContact O-N 3.33Å; Q186-E190 VanDerWaalsContact CG-OE1 3.3Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.43Å; Q186-E190 PolarHBondContact NE2-OE1 2.87Å; Q186-E190 WeakPolarHBondContact O-CG 3.46Å; Q186-E190 PolarHBondContact O-N 3.3Å |
| 187 | I | 92.4 | Very high | 92.1 | Very high | 104 Ų | 104 | 104.2 Ų | 104.2 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.1 | -36.2 | 176.5 | -69.2 | 163.4 | 0 | 0 | 0 | 111.1 | K183 Q184 K191 | K183-I187 WeakPolarHBondContact O-CB 3.42Å; K183-I187 VanDerWaalsContact O-CG1 3.27Å; K183-I187 WeakPolarHBondContact O-CG1 3.47Å; K183-I187 PolarHBondContact O-N 3.48Å; Q184-I187 PolarHBondContact O-N 3.39Å; I187-K191 VanDerWaalsContact O-CB 3.23Å; I187-K191 WeakPolarHBondContact O-CB 3.46Å; I187-K191 PolarHBondContact O-N 2.85Å |
| 188 | V | 93.1 | Very high | 92.4 | Very high | 82 Ų | 82 | 104.1 Ų | 104.1 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 173.7 | 168.2 | 0 | 0 | 0 | 0 | 111.5 | Q184 Q186 K191 V192 | Q184-V188 WeakPolarHBondContact O-CB 3.27Å; Q184-V188 VanDerWaalsContact O-CG2 3.29Å; Q184-V188 WeakPolarHBondContact O-CG2 3.5Å; Q184-V188 PolarHBondContact O-N 2.86Å; Q186-V188 VanDerWaalsContact C-N 3.26Å; Q186-V188 PolarHBondContact O-N 2.94Å; V188-K191 PolarHBondContact O-N 3.44Å; V188-V192 WeakPolarHBondContact O-CG2 3.3Å; V188-V192 PolarHBondContact O-N 2.87Å |
| 189 | K | 93.7 | Very high | 92.7 | Very high | 141 Ų | 141 | 101.8 Ų | 101.8 | 61% | 0.613 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.5 | -44.8 | 174.4 | -73.9 | 175.4 | 178.3 | -174.2 | 0 | 112.1 | A185 Q186 V192 H193 | A185-K189 WeakPolarHBondContact O-CG 3.23Å; A185-K189 PolarHBondContact O-N 2.98Å; A185-K189 VanDerWaalsContact O-N 3.14Å; Q186-K189 WeakPolarHBondContact O-CB 3.35Å; Q186-K189 PolarHBondContact O-N 3.33Å; K189-V192 PolarHBondContact O-N 3.12Å; K189-H193 WeakPolarHBondContact O-CB 3.32Å; K189-H193 PolarHBondContact O-N 2.86Å |
| 190 | E | 93.2 | Very high | 93 | Very high | 88 Ų | 88 | 103.4 Ų | 103.4 | 41% | 0.411 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 177.3 | -72.9 | 165.4 | -176.6 | 0 | 0 | 111.2 | Q186 H193 L194 | Q186-E190 VanDerWaalsContact CG-OE1 3.3Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.43Å; Q186-E190 PolarHBondContact NE2-OE1 2.87Å; Q186-E190 WeakPolarHBondContact O-CG 3.46Å; Q186-E190 PolarHBondContact O-N 3.3Å; E190-H193 PolarHBondContact O-N 3.49Å; E190-L194 WeakPolarHBondContact O-CB 3.24Å; E190-L194 VanDerWaalsContact O-CG 3.3Å; E190-L194 WeakPolarHBondContact O-CG 3.36Å; E190-L194 PolarHBondContact O-N 3.4Å |
| 191 | K | 93.8 | Very high | 93.3 | Very high | 130 Ų | 130 | 101 Ų | 101 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59 | -47.4 | 173 | -179.2 | 178.8 | 177.6 | 180 | 0 | 111.9 | I187 V188 L194 Q195 | I187-K191 VanDerWaalsContact O-CB 3.23Å; I187-K191 WeakPolarHBondContact O-CB 3.46Å; I187-K191 PolarHBondContact O-N 2.85Å; V188-K191 PolarHBondContact O-N 3.44Å; K191-L194 PolarHBondContact O-N 3.05Å; K191-Q195 VanDerWaalsContact O-CB 3.32Å; K191-Q195 WeakPolarHBondContact O-CB 3.48Å; K191-Q195 VanDerWaalsContact O-CG 3.24Å; K191-Q195 WeakPolarHBondContact O-CG 3.46Å; K191-Q195 PolarHBondContact O-N 2.75Å |
| 192 | V | 93.9 | Very high | 93.5 | Very high | 86 Ų | 86 | 99.6 Ų | 99.6 | 52% | 0.521 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 178.2 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | V188 K189 Q195 S196 | V188-V192 WeakPolarHBondContact O-CG2 3.3Å; V188-V192 PolarHBondContact O-N 2.87Å; K189-V192 PolarHBondContact O-N 3.12Å; V192-Q195 PolarHBondContact O-N 3.38Å; V192-S196 PolarHBondContact O-N 2.92Å |
| 193 | H | 93.3 | Very high | 93.7 | Very high | 107 Ų | 107 | 97.8 Ų | 97.8 | 50% | 0.495 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -51 | 176 | 179.7 | 35.6 | 0 | 0 | 0 | 111.5 | K189 E190 Q195 S196 E197 | K189-H193 WeakPolarHBondContact O-CB 3.32Å; K189-H193 PolarHBondContact O-N 2.86Å; E190-H193 PolarHBondContact O-N 3.49Å; H193-Q195 VanDerWaalsContact C-N 3.31Å; H193-Q195 PolarHBondContact O-N 3.02Å; H193-S196 WeakPolarHBondContact O-CA 3.3Å; H193-S196 WeakPolarHBondContact O-CB 3.36Å; H193-S196 PolarHBondContact O-N 3Å; H193-S196 PolarHBondContact O-OG 2.84Å; H193-E197 IonicContact CE1-OE1 2.57Å; H193-E197 PolarHBondContact CE1-OE1 3.34Å; H193-E197 IonicContact ND1-OE1 3.74Å; H193-E197 PolarHBondContact ND1-OE1 3.13Å; H193-E197 PolarHBondContact O-N 2.92Å |
| 194 | L | 94.5 | Very high | 93.9 | Very high | 117 Ų | 117 | 94.2 Ų | 94.2 | 61% | 0.613 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.5 | -36.9 | 177.1 | -71 | 171.5 | 0 | 0 | 0 | 112.4 | E190 K191 E197 H198 | E190-L194 WeakPolarHBondContact O-CB 3.24Å; E190-L194 VanDerWaalsContact O-CG 3.3Å; E190-L194 WeakPolarHBondContact O-CG 3.36Å; E190-L194 PolarHBondContact O-N 3.4Å; K191-L194 PolarHBondContact O-N 3.05Å; L194-E197 PolarHBondContact O-N 2.63Å; L194-H198 WeakPolarHBondContact O-CB 3.35Å; L194-H198 PolarHBondContact O-N 3.47Å |
| 195 | Q | 94.2 | Very high | 94.1 | Very high | 106 Ų | 106 | 96.4 Ų | 96.4 | 50% | 0.495 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 170.9 | -77.5 | 178.3 | -47.3 | 0 | 0 | 111.4 | K191 V192 H193 H198 S199 | K191-Q195 VanDerWaalsContact O-CB 3.32Å; K191-Q195 WeakPolarHBondContact O-CB 3.48Å; K191-Q195 VanDerWaalsContact O-CG 3.24Å; K191-Q195 WeakPolarHBondContact O-CG 3.46Å; K191-Q195 PolarHBondContact O-N 2.75Å; V192-Q195 PolarHBondContact O-N 3.38Å; H193-Q195 VanDerWaalsContact C-N 3.31Å; H193-Q195 PolarHBondContact O-N 3.02Å; Q195-H198 PolarHBondContact O-N 2.91Å; Q195-S199 PolarHBondContact O-N 2.67Å; Q195-S199 PolarHBondContact O-OG 3.48Å; Q195-S199 VanDerWaalsContact O-OG 3.12Å |
| 196 | S | 93.9 | Very high | 94.3 | Very high | 46 Ų | 46 | 97.5 Ų | 97.5 | 32% | 0.322 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 177.2 | 77.1 | 0 | 0 | 0 | 0 | 113 | V192 H193 S199 K200 | V192-S196 PolarHBondContact O-N 2.92Å; H193-S196 WeakPolarHBondContact O-CA 3.3Å; H193-S196 WeakPolarHBondContact O-CB 3.36Å; H193-S196 PolarHBondContact O-N 3Å; H193-S196 PolarHBondContact O-OG 2.84Å; S196-S199 PolarHBondContact O-N 2.88Å; S196-K200 WeakPolarHBondContact O-CG 3.22Å; S196-K200 PolarHBondContact O-N 3.37Å |
| 197 | E | 93.8 | Very high | 94.4 | Very high | 71 Ų | 71 | 100.3 Ų | 100.3 | 33% | 0.332 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.7 | -37.5 | 174.9 | -59.4 | -44.7 | 134 | 0 | 0 | 111.7 | H193 L194 K200 A201 | H193-E197 IonicContact CE1-OE1 2.57Å; H193-E197 PolarHBondContact CE1-OE1 3.34Å; H193-E197 IonicContact ND1-OE1 3.74Å; H193-E197 PolarHBondContact ND1-OE1 3.13Å; H193-E197 PolarHBondContact O-N 2.92Å; L194-E197 PolarHBondContact O-N 2.63Å; E197-K200 PolarHBondContact O-N 2.86Å; E197-K200 IonicContact OE1-NZ 2.63Å; E197-K200 PolarHBondContact OE1-NZ 3.27Å; E197-K200 WeakPolarHBondContact OE2-CD 3.39Å; E197-K200 IonicContact OE2-NZ 2.92Å; E197-K200 PolarHBondContact OE2-NZ 3.08Å; E197-A201 WeakPolarHBondContact O-CB 3.37Å; E197-A201 PolarHBondContact O-N 3.41Å |
| 198 | H | 94.3 | Very high | 94.6 | Very high | 123 Ų | 123 | 100.5 Ų | 100.5 | 57% | 0.569 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.5 | -42.1 | 173.5 | -175.8 | 64 | 0 | 0 | 0 | 111.8 | L194 Q195 A201 I202 | L194-H198 WeakPolarHBondContact O-CB 3.35Å; L194-H198 PolarHBondContact O-N 3.47Å; Q195-H198 PolarHBondContact O-N 2.91Å; H198-A201 PolarHBondContact O-N 2.92Å; H198-I202 WeakPolarHBondContact O-CG1 3.39Å; H198-I202 PolarHBondContact O-N 3.28Å |
| 199 | S | 95.5 | Very high | 94.7 | Very high | 66 Ų | 66 | 100.1 Ų | 100.1 | 46% | 0.462 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 172.9 | -63.3 | 0 | 0 | 0 | 0 | 112.5 | Q195 S196 I202 L203 | Q195-S199 PolarHBondContact O-N 2.67Å; Q195-S199 PolarHBondContact O-OG 3.48Å; Q195-S199 VanDerWaalsContact O-OG 3.12Å; S196-S199 PolarHBondContact O-N 2.88Å; S199-I202 PolarHBondContact O-N 2.84Å; S199-L203 WeakPolarHBondContact O-CG 3.35Å; S199-L203 PolarHBondContact O-N 3.39Å; S199-L203 VanDerWaalsContact O-N 3.08Å |
| 200 | K | 96.3 | Very high | 94.8 | Very high | 115 Ų | 115 | 96.2 Ų | 96.2 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 173.4 | -67.5 | 174.5 | -155.3 | 166.1 | 0 | 111.7 | S196 E197 L203 A204 | S196-K200 WeakPolarHBondContact O-CG 3.22Å; S196-K200 PolarHBondContact O-N 3.37Å; E197-K200 PolarHBondContact O-N 2.86Å; E197-K200 IonicContact OE1-NZ 2.63Å; E197-K200 PolarHBondContact OE1-NZ 3.27Å; E197-K200 WeakPolarHBondContact OE2-CD 3.39Å; E197-K200 IonicContact OE2-NZ 2.92Å; E197-K200 PolarHBondContact OE2-NZ 3.08Å; K200-L203 PolarHBondContact O-N 2.96Å; K200-A204 WeakPolarHBondContact O-CB 3.37Å; K200-A204 PolarHBondContact O-N 3.42Å |
| 201 | A | 95 | Very high | 94.9 | Very high | 57 Ų | 57 | 96.4 Ų | 96.4 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E197 H198 A204 R205 | E197-A201 WeakPolarHBondContact O-CB 3.37Å; E197-A201 PolarHBondContact O-N 3.41Å; H198-A201 PolarHBondContact O-N 2.92Å; A201-A204 PolarHBondContact O-N 2.96Å; A201-R205 VanDerWaalsContact O-CB 3.31Å; A201-R205 WeakPolarHBondContact O-CB 3.44Å; A201-R205 PolarHBondContact O-N 3.45Å |
| 202 | I | 94.6 | Very high | 95 | Very high | 90 Ų | 90 | 93.6 Ų | 93.6 | 46% | 0.462 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 172.3 | -71.2 | 165.9 | 0 | 0 | 0 | 110.9 | H198 S199 R205 S206 | H198-I202 WeakPolarHBondContact O-CG1 3.39Å; H198-I202 PolarHBondContact O-N 3.28Å; S199-I202 PolarHBondContact O-N 2.84Å; I202-R205 PolarHBondContact O-N 3.27Å; I202-S206 WeakPolarHBondContact O-CB 3.48Å; I202-S206 PolarHBondContact O-N 2.84Å |
| 203 | L | 94.9 | Very high | 95.1 | Very high | 125 Ų | 125 | 96.3 Ų | 96.3 | 65% | 0.654 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.2 | -42.1 | 178.2 | -70.1 | 169.7 | 0 | 0 | 0 | 111.9 | S199 K200 S206 K207 | S199-L203 WeakPolarHBondContact O-CG 3.35Å; S199-L203 PolarHBondContact O-N 3.39Å; S199-L203 VanDerWaalsContact O-N 3.08Å; K200-L203 PolarHBondContact O-N 2.96Å; L203-S206 PolarHBondContact O-N 2.93Å; L203-K207 WeakPolarHBondContact O-CB 3.38Å; L203-K207 PolarHBondContact O-N 2.95Å |
| 204 | A | 95.4 | Very high | 95.2 | Very high | 51 Ų | 51 | 95.9 Ų | 95.9 | 42% | 0.421 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K200 A201 K207 L208 | K200-A204 WeakPolarHBondContact O-CB 3.37Å; K200-A204 PolarHBondContact O-N 3.42Å; A201-A204 PolarHBondContact O-N 2.96Å; A204-K207 PolarHBondContact O-N 3.43Å; A204-L208 WeakPolarHBondContact O-CB 3.3Å; A204-L208 WeakPolarHBondContact O-CG 3.48Å; A204-L208 PolarHBondContact O-N 2.98Å |
| 205 | R | 95.3 | Very high | 95.3 | Very high | 177 Ų | 177 | 95.5 Ų | 95.5 | 67% | 0.668 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.3 | -48.5 | 173.2 | 174.1 | -178.1 | 162 | 165.4 | -2.2 | 111.3 | A201 I202 K207 L208 E209 | A201-R205 VanDerWaalsContact O-CB 3.31Å; A201-R205 WeakPolarHBondContact O-CB 3.44Å; A201-R205 PolarHBondContact O-N 3.45Å; I202-R205 PolarHBondContact O-N 3.27Å; R205-K207 VanDerWaalsContact C-N 3.32Å; R205-K207 PolarHBondContact O-N 3.38Å; R205-L208 PolarHBondContact O-N 3.01Å; R205-E209 IonicContact NE-OE2 2.68Å; R205-E209 IonicContact NH2-OE2 2.8Å; R205-E209 WeakPolarHBondContact O-CB 3.37Å; R205-E209 PolarHBondContact O-N 3.45Å |
| 206 | S | 95.5 | Very high | 95.3 | Very high | 74 Ų | 74 | 96.9 Ų | 96.9 | 52% | 0.517 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.6 | -40.5 | -179.2 | -179 | 0 | 0 | 0 | 0 | 111.9 | I202 L203 E209 S210 | I202-S206 WeakPolarHBondContact O-CB 3.48Å; I202-S206 PolarHBondContact O-N 2.84Å; L203-S206 PolarHBondContact O-N 2.93Å; S206-E209 PolarHBondContact O-N 3.26Å; S206-S210 WeakPolarHBondContact O-CB 3.48Å; S206-S210 PolarHBondContact O-N 3.38Å |
| 207 | K | 96.4 | Very high | 95.5 | Very high | 150 Ų | 150 | 101.1 Ų | 101.1 | 65% | 0.652 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.6 | -44.4 | 174.6 | -170.8 | 173.5 | -177.7 | 177.9 | 0 | 112.2 | L203 A204 R205 S210 L211 | L203-K207 WeakPolarHBondContact O-CB 3.38Å; L203-K207 PolarHBondContact O-N 2.95Å; A204-K207 PolarHBondContact O-N 3.43Å; R205-K207 VanDerWaalsContact C-N 3.32Å; R205-K207 PolarHBondContact O-N 3.38Å; K207-S210 PolarHBondContact O-N 2.87Å; K207-L211 HydrophobicContact CG-CD1 4.19Å; K207-L211 WeakPolarHBondContact O-CB 3.31Å; K207-L211 VanDerWaalsContact O-CG 3.3Å; K207-L211 WeakPolarHBondContact O-CG 3.25Å; K207-L211 PolarHBondContact O-N 2.7Å |
| 208 | L | 95.6 | Very high | 95.6 | Very high | 109 Ų | 109 | 103.4 Ų | 103.4 | 57% | 0.571 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.8 | -41 | 175.1 | -73.9 | 169.6 | 0 | 0 | 0 | 111.9 | A204 R205 L211 C212 | A204-L208 WeakPolarHBondContact O-CB 3.3Å; A204-L208 WeakPolarHBondContact O-CG 3.48Å; A204-L208 PolarHBondContact O-N 2.98Å; R205-L208 PolarHBondContact O-N 3.01Å; L208-L211 PolarHBondContact O-N 2.88Å; L208-C212 WeakPolarHBondContact O-CB 3.43Å; L208-C212 PolarHBondContact O-N 3.34Å; L208-C212 PolarHBondContact O-SG 2.94Å; L208-C212 VanDerWaalsContact O-SG 3.34Å |
| 209 | E | 94.8 | Very high | 95.6 | Very high | 74 Ų | 74 | 101.3 Ų | 101.3 | 35% | 0.346 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 177.7 | -161.7 | -172.6 | 131.3 | 0 | 0 | 111.4 | R205 S206 C212 R213 | R205-E209 IonicContact NE-OE2 2.68Å; R205-E209 IonicContact NH2-OE2 2.8Å; R205-E209 WeakPolarHBondContact O-CB 3.37Å; R205-E209 PolarHBondContact O-N 3.45Å; S206-E209 PolarHBondContact O-N 3.26Å; E209-C212 PolarHBondContact O-N 3.45Å; E209-R213 WeakPolarHBondContact O-CB 3.28Å; E209-R213 VanDerWaalsContact O-CG 3.25Å; E209-R213 WeakPolarHBondContact O-CG 3.4Å; E209-R213 PolarHBondContact O-N 2.83Å; E209-R213 IonicContact OE1-CZ 2.98Å; E209-R213 VanDerWaalsContact OE1-CZ 3.28Å; E209-R213 IonicContact OE1-NE 2.7Å; E209-R213 PolarHBondContact OE1-NE 2.86Å; E209-R213 IonicContact OE1-NH2 3.13Å; E209-R213 PolarHBondContact OE1-NH2 3.18Å |
| 210 | S | 96 | Very high | 95.7 | Very high | 59 Ų | 59 | 103.9 Ų | 103.9 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.1 | -48.7 | 172.3 | -167.5 | 0 | 0 | 0 | 0 | 111.5 | S206 K207 C212 R213 E214 | S206-S210 WeakPolarHBondContact O-CB 3.48Å; S206-S210 PolarHBondContact O-N 3.38Å; K207-S210 PolarHBondContact O-N 2.87Å; S210-C212 PolarHBondContact O-N 2.8Å; S210-R213 PolarHBondContact O-N 3.31Å; S210-E214 VanDerWaalsContact O-CB 3.28Å; S210-E214 WeakPolarHBondContact O-CB 3.3Å; S210-E214 PolarHBondContact O-N 3.28Å |
| 211 | L | 96.3 | Very high | 95.6 | Very high | 91 Ų | 91 | 101.4 Ų | 101.4 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 178 | -72.8 | 167.9 | 0 | 0 | 0 | 112.3 | K207 L208 E214 L215 | K207-L211 HydrophobicContact CG-CD1 4.19Å; K207-L211 WeakPolarHBondContact O-CB 3.31Å; K207-L211 VanDerWaalsContact O-CG 3.3Å; K207-L211 WeakPolarHBondContact O-CG 3.25Å; K207-L211 PolarHBondContact O-N 2.7Å; L208-L211 PolarHBondContact O-N 2.88Å; L211-E214 PolarHBondContact O-N 3.43Å; L211-L215 VanDerWaalsContact O-CB 3.23Å; L211-L215 WeakPolarHBondContact O-CB 3.43Å; L211-L215 PolarHBondContact O-N 2.82Å |
| 212 | C | 94.8 | Very high | 95.7 | Very high | 72 Ų | 72 | 102.4 Ų | 102.4 | 49% | 0.486 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 175.1 | -74.1 | 0 | 0 | 0 | 0 | 112.1 | L208 E209 S210 E214 Q216 | L208-C212 WeakPolarHBondContact O-CB 3.43Å; L208-C212 PolarHBondContact O-N 3.34Å; L208-C212 PolarHBondContact O-SG 2.94Å; L208-C212 VanDerWaalsContact O-SG 3.34Å; E209-C212 PolarHBondContact O-N 3.45Å; S210-C212 PolarHBondContact O-N 2.8Å; C212-E214 VanDerWaalsContact C-N 3.28Å; C212-E214 PolarHBondContact O-N 2.89Å; C212-Q216 VanDerWaalsContact O-CB 3.3Å; C212-Q216 WeakPolarHBondContact O-CB 3.45Å; C212-Q216 VanDerWaalsContact O-CG 3.26Å; C212-Q216 WeakPolarHBondContact O-CG 3.26Å; C212-Q216 PolarHBondContact O-N 3.38Å |
| 213 | R | 96.3 | Very high | 95.7 | Very high | 142 Ų | 142 | 105 Ų | 105 | 54% | 0.536 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -36.2 | 174.2 | -72 | 168.7 | -178.1 | -100.2 | 8.4 | 111.7 | E209 S210 R217 | E209-R213 WeakPolarHBondContact O-CB 3.28Å; E209-R213 VanDerWaalsContact O-CG 3.25Å; E209-R213 WeakPolarHBondContact O-CG 3.4Å; E209-R213 PolarHBondContact O-N 2.83Å; E209-R213 IonicContact OE1-CZ 2.98Å; E209-R213 VanDerWaalsContact OE1-CZ 3.28Å; E209-R213 IonicContact OE1-NE 2.7Å; E209-R213 PolarHBondContact OE1-NE 2.86Å; E209-R213 IonicContact OE1-NH2 3.13Å; E209-R213 PolarHBondContact OE1-NH2 3.18Å; S210-R213 PolarHBondContact O-N 3.31Å; R213-R217 WeakPolarHBondContact O-CG 3.41Å; R213-R217 PolarHBondContact O-N 2.97Å |
| 214 | E | 96.1 | Very high | 95.8 | Very high | 99 Ų | 99 | 103.7 Ų | 103.7 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.9 | -45.5 | 178.4 | -168.9 | 136.2 | -95 | 0 | 0 | 112.6 | S210 L211 C212 Q216 R217 H218 | S210-E214 VanDerWaalsContact O-CB 3.28Å; S210-E214 WeakPolarHBondContact O-CB 3.3Å; S210-E214 PolarHBondContact O-N 3.28Å; L211-E214 PolarHBondContact O-N 3.43Å; C212-E214 VanDerWaalsContact C-N 3.28Å; C212-E214 PolarHBondContact O-N 2.89Å; E214-Q216 VanDerWaalsContact C-N 3.29Å; E214-Q216 PolarHBondContact O-N 2.98Å; E214-R217 WeakPolarHBondContact O-CB 3.48Å; E214-R217 PolarHBondContact O-N 2.65Å; E214-R217 IonicContact OE1-NH1 3.34Å; E214-R217 PolarHBondContact OE1-NH1 3.19Å; E214-H218 PolarHBondContact O-N 2.85Å |
| 215 | L | 95.8 | Very high | 95.7 | Very high | 109 Ų | 109 | 106.6 Ų | 106.6 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.9 | -37.4 | 172.6 | -176.7 | 63.5 | 0 | 0 | 0 | 111.5 | L211 N219 | L211-L215 VanDerWaalsContact O-CB 3.23Å; L211-L215 WeakPolarHBondContact O-CB 3.43Å; L211-L215 PolarHBondContact O-N 2.82Å; L215-N219 WeakPolarHBondContact CD1-ND2 3.23Å; L215-N219 VanDerWaalsContact O-CB 3.3Å; L215-N219 WeakPolarHBondContact O-CB 3.39Å; L215-N219 PolarHBondContact O-N 3.04Å; L215-N219 PolarHBondContact O-ND2 3.44Å |
| 216 | Q | 95.4 | Very high | 95.7 | Very high | 135 Ų | 135 | 102.6 Ų | 102.6 | 63% | 0.631 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.6 | -42.7 | 172.2 | -80 | 178.5 | -12.4 | 0 | 0 | 112.3 | C212 E214 N219 K220 | C212-Q216 VanDerWaalsContact O-CB 3.3Å; C212-Q216 WeakPolarHBondContact O-CB 3.45Å; C212-Q216 VanDerWaalsContact O-CG 3.26Å; C212-Q216 WeakPolarHBondContact O-CG 3.26Å; C212-Q216 PolarHBondContact O-N 3.38Å; E214-Q216 VanDerWaalsContact C-N 3.29Å; E214-Q216 PolarHBondContact O-N 2.98Å; Q216-N219 PolarHBondContact O-N 3.35Å; Q216-K220 WeakPolarHBondContact O-CB 3.15Å; Q216-K220 PolarHBondContact O-N 2.95Å |
| 217 | R | 97.1 | Very high | 95.7 | Very high | 134 Ų | 134 | 103.7 Ų | 103.7 | 51% | 0.506 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.4 | -52.4 | 172 | -79.7 | -175.4 | -112.5 | 111.4 | -4.2 | 110.7 | R213 E214 N219 K220 T221 | R213-R217 WeakPolarHBondContact O-CG 3.41Å; R213-R217 PolarHBondContact O-N 2.97Å; E214-R217 WeakPolarHBondContact O-CB 3.48Å; E214-R217 PolarHBondContact O-N 2.65Å; E214-R217 IonicContact OE1-NH1 3.34Å; E214-R217 PolarHBondContact OE1-NH1 3.19Å; R217-N219 VanDerWaalsContact C-N 3.32Å; R217-N219 PolarHBondContact O-N 2.89Å; R217-K220 WeakPolarHBondContact O-CB 3.3Å; R217-K220 PolarHBondContact O-N 3.47Å; R217-T221 PolarHBondContact O-N 3.43Å; R217-T221 PolarHBondContact O-OG1 2.96Å |
| 218 | H | 96.1 | Very high | 95.7 | Very high | 119 Ų | 119 | 100.2 Ų | 100.2 | 55% | 0.551 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.9 | -37.3 | 179.9 | -165.3 | -39.8 | 0 | 0 | 0 | 112.5 | E214 K220 L222 | E214-H218 PolarHBondContact O-N 2.85Å; H218-K220 VanDerWaalsContact C-N 3.34Å; H218-L222 WeakPolarHBondContact O-CB 3.46Å; H218-L222 PolarHBondContact O-N 2.59Å |
| 219 | N | 95.6 | Very high | 95.6 | Very high | 80 Ų | 80 | 100.1 Ų | 100.1 | 43% | 0.428 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.6 | -29.2 | 174.1 | -89.2 | -95.9 | 0 | 0 | 0 | 113.1 | L215 Q216 R217 K223 | L215-N219 WeakPolarHBondContact CD1-ND2 3.23Å; L215-N219 VanDerWaalsContact O-CB 3.3Å; L215-N219 WeakPolarHBondContact O-CB 3.39Å; L215-N219 PolarHBondContact O-N 3.04Å; L215-N219 PolarHBondContact O-ND2 3.44Å; Q216-N219 PolarHBondContact O-N 3.35Å; R217-N219 VanDerWaalsContact C-N 3.32Å; R217-N219 PolarHBondContact O-N 2.89Å; N219-K223 WeakPolarHBondContact O-CB 3.37Å; N219-K223 WeakPolarHBondContact O-CD 3.34Å; N219-K223 WeakPolarHBondContact O-CG 3.29Å; N219-K223 PolarHBondContact O-N 3.45Å |
| 220 | K | 96.4 | Very high | 95.7 | Very high | 119 Ų | 119 | 99.3 Ų | 99.3 | 52% | 0.517 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -74 | -51.4 | 174 | -175 | 177.5 | 175.9 | -67.9 | 0 | 110.3 | Q216 R217 H218 L222 K223 E224 | Q216-K220 WeakPolarHBondContact O-CB 3.15Å; Q216-K220 PolarHBondContact O-N 2.95Å; R217-K220 WeakPolarHBondContact O-CB 3.3Å; R217-K220 PolarHBondContact O-N 3.47Å; H218-K220 VanDerWaalsContact C-N 3.34Å; K220-L222 PolarHBondContact O-N 3.25Å; K220-K223 PolarHBondContact O-N 2.78Å; K220-E224 WeakPolarHBondContact CE-OE1 3.2Å; K220-E224 IonicContact NZ-OE1 2.69Å; K220-E224 PolarHBondContact NZ-OE1 3.03Å; K220-E224 IonicContact NZ-OE2 2.65Å; K220-E224 PolarHBondContact NZ-OE2 3.24Å; K220-E224 WeakPolarHBondContact O-CG 3.49Å; K220-E224 PolarHBondContact O-N 2.78Å |
| 221 | T | 95.4 | Very high | 95.6 | Very high | 64 Ų | 64 | 102.6 Ų | 102.6 | 39% | 0.393 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.6 | -49.6 | 176.5 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | R217 K223 E224 E225 | R217-T221 PolarHBondContact O-N 3.43Å; R217-T221 PolarHBondContact O-OG1 2.96Å; T221-K223 VanDerWaalsContact C-N 3.27Å; T221-K223 PolarHBondContact O-N 2.86Å; T221-E224 CarbonylContact O-C 3.57Å; T221-E224 WeakPolarHBondContact O-CA 3.44Å; T221-E224 PolarHBondContact O-N 2.86Å; T221-E225 HydrophobicContact CG2-CG 4.23Å; T221-E225 WeakPolarHBondContact CG2-OE1 3.38Å; T221-E225 WeakPolarHBondContact O-CB 3.47Å; T221-E225 WeakPolarHBondContact O-CG 3.32Å; T221-E225 PolarHBondContact O-N 2.94Å |
| 222 | L | 95.8 | Very high | 95.6 | Very high | 77 Ų | 77 | 101.9 Ų | 101.9 | 40% | 0.403 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -30.6 | 179.7 | -175.6 | 148.6 | 0 | 0 | 0 | 113.1 | H218 K220 N226 | H218-L222 WeakPolarHBondContact O-CB 3.46Å; H218-L222 PolarHBondContact O-N 2.59Å; K220-L222 PolarHBondContact O-N 3.25Å; L222-N226 VanDerWaalsContact O-CB 3.32Å; L222-N226 WeakPolarHBondContact O-CB 3.37Å; L222-N226 PolarHBondContact O-N 2.94Å; L222-N226 PolarHBondContact O-ND2 2.85Å |
| 223 | K | 95.9 | Very high | 95.6 | Very high | 145 Ų | 145 | 102.5 Ų | 102.5 | 63% | 0.63 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -73.3 | -38.3 | 172.2 | -76.3 | 174.9 | -177.4 | -175.8 | 0 | 112.4 | N219 K220 T221 L227 | N219-K223 WeakPolarHBondContact O-CB 3.37Å; N219-K223 WeakPolarHBondContact O-CD 3.34Å; N219-K223 WeakPolarHBondContact O-CG 3.29Å; N219-K223 PolarHBondContact O-N 3.45Å; K220-K223 PolarHBondContact O-N 2.78Å; T221-K223 VanDerWaalsContact C-N 3.27Å; T221-K223 PolarHBondContact O-N 2.86Å; K223-L227 VanDerWaalsContact O-CB 3.29Å; K223-L227 WeakPolarHBondContact O-CB 3.42Å; K223-L227 PolarHBondContact O-N 2.94Å |
| 224 | E | 95.4 | Very high | 95.5 | Very high | 98 Ų | 98 | 100.9 Ų | 100.9 | 46% | 0.458 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.5 | -42 | 176 | -71.3 | 171 | 157.1 | 0 | 0 | 110.6 | K220 T221 L227 Q228 | K220-E224 WeakPolarHBondContact CE-OE1 3.2Å; K220-E224 IonicContact NZ-OE1 2.69Å; K220-E224 PolarHBondContact NZ-OE1 3.03Å; K220-E224 IonicContact NZ-OE2 2.65Å; K220-E224 PolarHBondContact NZ-OE2 3.24Å; K220-E224 WeakPolarHBondContact O-CG 3.49Å; K220-E224 PolarHBondContact O-N 2.78Å; T221-E224 CarbonylContact O-C 3.57Å; T221-E224 WeakPolarHBondContact O-CA 3.44Å; T221-E224 PolarHBondContact O-N 2.86Å; E224-L227 PolarHBondContact O-N 2.92Å; E224-Q228 VanDerWaalsContact O-CB 3.23Å; E224-Q228 WeakPolarHBondContact O-CB 3.23Å; E224-Q228 PolarHBondContact O-N 3.47Å |
| 225 | E | 94.9 | Very high | 95.5 | Very high | 111 Ų | 111 | 101.3 Ų | 101.3 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 172.4 | -71.3 | 168.3 | 163.5 | 0 | 0 | 112.2 | T221 L227 Q228 Q229 | T221-E225 HydrophobicContact CG2-CG 4.23Å; T221-E225 WeakPolarHBondContact CG2-OE1 3.38Å; T221-E225 WeakPolarHBondContact O-CB 3.47Å; T221-E225 WeakPolarHBondContact O-CG 3.32Å; T221-E225 PolarHBondContact O-N 2.94Å; E225-L227 PolarHBondContact O-N 3.18Å; E225-Q228 PolarHBondContact O-N 3.4Å; E225-Q229 VanDerWaalsContact O-CB 3.29Å; E225-Q229 WeakPolarHBondContact O-CB 3.38Å; E225-Q229 PolarHBondContact O-N 2.87Å |
| 226 | N | 94.3 | Very high | 95.5 | Very high | 93 Ų | 93 | 102.1 Ų | 102.1 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 176.2 | -92.2 | -106.9 | 0 | 0 | 0 | 111.9 | L222 Q228 A230 | L222-N226 VanDerWaalsContact O-CB 3.32Å; L222-N226 WeakPolarHBondContact O-CB 3.37Å; L222-N226 PolarHBondContact O-N 2.94Å; L222-N226 PolarHBondContact O-ND2 2.85Å; N226-Q228 VanDerWaalsContact C-N 3.32Å; N226-A230 VanDerWaalsContact O-CB 3.25Å; N226-A230 WeakPolarHBondContact O-CB 3.43Å; N226-A230 PolarHBondContact O-N 3.39Å |
| 227 | L | 95.3 | Very high | 95.6 | Very high | 97 Ų | 97 | 103.4 Ų | 103.4 | 51% | 0.508 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.8 | -36.9 | 177.3 | -176.9 | 63.8 | 0 | 0 | 0 | 111.7 | K223 E224 E225 R231 | K223-L227 VanDerWaalsContact O-CB 3.29Å; K223-L227 WeakPolarHBondContact O-CB 3.42Å; K223-L227 PolarHBondContact O-N 2.94Å; E224-L227 PolarHBondContact O-N 2.92Å; E225-L227 PolarHBondContact O-N 3.18Å; L227-R231 VanDerWaalsContact O-CG 3.32Å; L227-R231 WeakPolarHBondContact O-CG 3.32Å; L227-R231 PolarHBondContact O-N 3.37Å |
| 228 | Q | 95.6 | Very high | 95.6 | Very high | 77 Ų | 77 | 102.4 Ų | 102.4 | 36% | 0.36 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72.3 | -46.4 | 177.6 | -177.4 | 55.3 | 28.2 | 0 | 0 | 111.8 | E224 E225 N226 A230 R231 E232 | E224-Q228 VanDerWaalsContact O-CB 3.23Å; E224-Q228 WeakPolarHBondContact O-CB 3.23Å; E224-Q228 PolarHBondContact O-N 3.47Å; E225-Q228 PolarHBondContact O-N 3.4Å; N226-Q228 VanDerWaalsContact C-N 3.32Å; Q228-A230 VanDerWaalsContact C-N 3.29Å; Q228-A230 PolarHBondContact O-N 3.12Å; Q228-R231 WeakPolarHBondContact O-CB 3.29Å; Q228-R231 PolarHBondContact O-N 3.36Å; Q228-R231 VanDerWaalsContact O-N 3.12Å; Q228-E232 WeakPolarHBondContact CG-OE1 3.44Å; Q228-E232 PolarHBondContact NE2-OE1 3.21Å; Q228-E232 WeakPolarHBondContact O-CG 3.46Å; Q228-E232 PolarHBondContact O-N 2.8Å |
| 229 | Q | 95.6 | Very high | 95.6 | Very high | 108 Ų | 108 | 103 Ų | 103 | 51% | 0.505 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.4 | -38.4 | 175.1 | -175.9 | 177.7 | -7.7 | 0 | 0 | 111.9 | E225 E232 E233 | E225-Q229 VanDerWaalsContact O-CB 3.29Å; E225-Q229 WeakPolarHBondContact O-CB 3.38Å; E225-Q229 PolarHBondContact O-N 2.87Å; Q229-E232 PolarHBondContact O-N 2.97Å; Q229-E233 PolarHBondContact O-N 2.99Å |
| 230 | A | 95.1 | Very high | 95.7 | Very high | 57 Ų | 57 | 101.3 Ų | 101.3 | 47% | 0.471 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N226 Q228 E233 E234 | N226-A230 VanDerWaalsContact O-CB 3.25Å; N226-A230 WeakPolarHBondContact O-CB 3.43Å; N226-A230 PolarHBondContact O-N 3.39Å; Q228-A230 VanDerWaalsContact C-N 3.29Å; Q228-A230 PolarHBondContact O-N 3.12Å; A230-E233 PolarHBondContact O-N 3.22Å; A230-E234 WeakPolarHBondContact O-CB 3.47Å; A230-E234 PolarHBondContact O-N 2.78Å |
| 231 | R | 95.5 | Very high | 95.7 | Very high | 127 Ų | 127 | 100 Ų | 100 | 48% | 0.479 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 173.5 | -70.8 | 164.6 | 179.8 | 168.4 | -2.3 | 111.7 | L227 Q228 E233 E234 E235 | L227-R231 VanDerWaalsContact O-CG 3.32Å; L227-R231 WeakPolarHBondContact O-CG 3.32Å; L227-R231 PolarHBondContact O-N 3.37Å; Q228-R231 WeakPolarHBondContact O-CB 3.29Å; Q228-R231 PolarHBondContact O-N 3.36Å; Q228-R231 VanDerWaalsContact O-N 3.12Å; R231-E233 VanDerWaalsContact C-N 3.32Å; R231-E233 PolarHBondContact O-N 2.96Å; R231-E234 CarbonylContact O-C 3.57Å; R231-E234 WeakPolarHBondContact O-CA 3.25Å; R231-E234 WeakPolarHBondContact O-CB 3.39Å; R231-E234 PolarHBondContact O-N 2.94Å; R231-E235 WeakPolarHBondContact O-CG 3.29Å; R231-E235 PolarHBondContact O-N 3.06Å |
| 232 | E | 95.6 | Very high | 95.8 | Very high | 77 Ų | 77 | 99.4 Ų | 99.4 | 36% | 0.36 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.7 | -30.3 | -179.4 | -67.6 | 172.3 | -161.3 | 0 | 0 | 112.8 | Q228 Q229 R236 | Q228-E232 WeakPolarHBondContact CG-OE1 3.44Å; Q228-E232 PolarHBondContact NE2-OE1 3.21Å; Q228-E232 WeakPolarHBondContact O-CG 3.46Å; Q228-E232 PolarHBondContact O-N 2.8Å; Q229-E232 PolarHBondContact O-N 2.97Å; E232-R236 VanDerWaalsContact CB-NH2 3.32Å; E232-R236 VanDerWaalsContact O-CB 3.29Å; E232-R236 WeakPolarHBondContact O-CB 3.38Å; E232-R236 WeakPolarHBondContact O-CG 3.46Å; E232-R236 PolarHBondContact O-N 3.41Å; E232-R236 PolarHBondContact O-NE 3Å; E232-R236 IonicContact OE2-NH2 2.95Å |
| 233 | E | 94.6 | Very high | 95.9 | Very high | 85 Ų | 85 | 101.6 Ų | 101.6 | 40% | 0.397 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72 | -32.8 | 167.9 | -87 | -164.6 | -152.2 | 0 | 0 | 113.3 | Q229 A230 R231 R237 | Q229-E233 PolarHBondContact O-N 2.99Å; A230-E233 PolarHBondContact O-N 3.22Å; R231-E233 VanDerWaalsContact C-N 3.32Å; R231-E233 PolarHBondContact O-N 2.96Å; E233-R237 WeakPolarHBondContact O-CB 3.48Å; E233-R237 WeakPolarHBondContact O-CG 3.41Å; E233-R237 PolarHBondContact O-N 3.49Å; E233-R237 IonicContact OE2-NH1 3.01Å; E233-R237 PolarHBondContact OE2-NH1 3.31Å |
| 234 | E | 94.7 | Very high | 96 | Very high | 107 Ų | 107 | 101.6 Ų | 101.6 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.3 | -40.6 | 174 | -157 | -165.4 | 142.5 | 0 | 0 | 111.3 | A230 R231 R237 K238 | A230-E234 WeakPolarHBondContact O-CB 3.47Å; A230-E234 PolarHBondContact O-N 2.78Å; R231-E234 CarbonylContact O-C 3.57Å; R231-E234 WeakPolarHBondContact O-CA 3.25Å; R231-E234 WeakPolarHBondContact O-CB 3.39Å; R231-E234 PolarHBondContact O-N 2.94Å; E234-R237 PolarHBondContact O-N 3.44Å; E234-K238 VanDerWaalsContact CD-NZ 3.32Å; E234-K238 VanDerWaalsContact O-CG 3.28Å; E234-K238 WeakPolarHBondContact O-CG 3.28Å; E234-K238 PolarHBondContact O-N 2.63Å; E234-K238 WeakPolarHBondContact OE1-CE 3.41Å; E234-K238 IonicContact OE1-NZ 3.97Å; E234-K238 PolarHBondContact OE1-NZ 3.4Å |
| 235 | E | 95.5 | Very high | 96.1 | Very high | 108 Ų | 108 | 101.9 Ų | 101.9 | 51% | 0.505 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.4 | -49.3 | 173.8 | -73.3 | -179.8 | 149.9 | 0 | 0 | 111 | R231 R237 K238 E239 | R231-E235 WeakPolarHBondContact O-CG 3.29Å; R231-E235 PolarHBondContact O-N 3.06Å; E235-R237 PolarHBondContact O-N 3.42Å; E235-K238 CarbonylContact O-C 3.56Å; E235-K238 WeakPolarHBondContact O-CA 3.36Å; E235-K238 WeakPolarHBondContact O-CB 3.28Å; E235-K238 PolarHBondContact O-N 3.02Å; E235-E239 WeakPolarHBondContact O-CG 3.06Å; E235-E239 PolarHBondContact O-N 3.01Å |
| 236 | R | 96.7 | Very high | 96.2 | Very high | 126 Ų | 126 | 101.7 Ų | 101.7 | 48% | 0.475 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.2 | -32.5 | 173.7 | -78.8 | -178.8 | -103.5 | 110.7 | -3.6 | 113.1 | E232 A240 | E232-R236 VanDerWaalsContact CB-NH2 3.32Å; E232-R236 VanDerWaalsContact O-CB 3.29Å; E232-R236 WeakPolarHBondContact O-CB 3.38Å; E232-R236 WeakPolarHBondContact O-CG 3.46Å; E232-R236 PolarHBondContact O-N 3.41Å; E232-R236 PolarHBondContact O-NE 3Å; E232-R236 IonicContact OE2-NH2 2.95Å; R236-A240 VanDerWaalsContact O-CB 3.28Å; R236-A240 WeakPolarHBondContact O-CB 3.44Å; R236-A240 PolarHBondContact O-N 2.92Å |
| 237 | R | 97 | Very high | 96.4 | Very high | 162 Ų | 162 | 99.6 Ų | 99.6 | 61% | 0.611 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.7 | -44.7 | 169.9 | -87.7 | -174.6 | 171.9 | 85.6 | -1.9 | 112.4 | E233 E234 E235 T241 | E233-R237 WeakPolarHBondContact O-CB 3.48Å; E233-R237 WeakPolarHBondContact O-CG 3.41Å; E233-R237 PolarHBondContact O-N 3.49Å; E233-R237 IonicContact OE2-NH1 3.01Å; E233-R237 PolarHBondContact OE2-NH1 3.31Å; E234-R237 PolarHBondContact O-N 3.44Å; E235-R237 PolarHBondContact O-N 3.42Å; R237-T241 VanDerWaalsContact O-CB 3.32Å; R237-T241 WeakPolarHBondContact O-CB 3.31Å; R237-T241 PolarHBondContact O-N 3.4Å; R237-T241 PolarHBondContact O-OG1 2.82Å |
| 238 | K | 97 | Very high | 96.5 | Very high | 114 Ų | 114 | 99.9 Ų | 99.9 | 50% | 0.496 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 176.4 | -71.5 | 162.1 | -174.2 | 165.2 | 0 | 111.7 | E234 E235 T241 A242 | E234-K238 VanDerWaalsContact CD-NZ 3.32Å; E234-K238 VanDerWaalsContact O-CG 3.28Å; E234-K238 WeakPolarHBondContact O-CG 3.28Å; E234-K238 PolarHBondContact O-N 2.63Å; E234-K238 WeakPolarHBondContact OE1-CE 3.41Å; E234-K238 IonicContact OE1-NZ 3.97Å; E234-K238 PolarHBondContact OE1-NZ 3.4Å; E235-K238 CarbonylContact O-C 3.56Å; E235-K238 WeakPolarHBondContact O-CA 3.36Å; E235-K238 WeakPolarHBondContact O-CB 3.28Å; E235-K238 PolarHBondContact O-N 3.02Å; K238-T241 PolarHBondContact O-N 3.36Å; K238-A242 VanDerWaalsContact O-CB 3.31Å; K238-A242 WeakPolarHBondContact O-CB 3.13Å; K238-A242 PolarHBondContact O-N 3.23Å |
| 239 | E | 96.4 | Very high | 96.6 | Very high | 130 Ų | 130 | 100.5 Ų | 100.5 | 61% | 0.607 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.2 | -49.6 | 176.1 | -70.5 | 176.9 | 152.4 | 0 | 0 | 111.8 | E235 T241 A242 H243 | E235-E239 WeakPolarHBondContact O-CG 3.06Å; E235-E239 PolarHBondContact O-N 3.01Å; E239-T241 VanDerWaalsContact C-N 3.31Å; E239-T241 PolarHBondContact O-N 2.83Å; E239-A242 PolarHBondContact O-N 2.94Å; E239-H243 WeakPolarHBondContact O-CB 3.44Å; E239-H243 PolarHBondContact O-N 2.95Å |
| 240 | A | 96.7 | Very high | 96.7 | Very high | 45 Ų | 45 | 100.7 Ų | 100.7 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R236 H243 F244 | R236-A240 VanDerWaalsContact O-CB 3.28Å; R236-A240 WeakPolarHBondContact O-CB 3.44Å; R236-A240 PolarHBondContact O-N 2.92Å; A240-H243 PolarHBondContact O-N 2.65Å; A240-F244 WeakPolarHBondContact O-CD2 3.32Å; A240-F244 PolarHBondContact O-N 3.31Å |
| 241 | T | 96.3 | Very high | 96.9 | Very high | 93 Ų | 93 | 102.8 Ų | 102.8 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.4 | -42.9 | 178.3 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | R237 K238 E239 F244 Q245 | R237-T241 VanDerWaalsContact O-CB 3.32Å; R237-T241 WeakPolarHBondContact O-CB 3.31Å; R237-T241 PolarHBondContact O-N 3.4Å; R237-T241 PolarHBondContact O-OG1 2.82Å; K238-T241 PolarHBondContact O-N 3.36Å; E239-T241 VanDerWaalsContact C-N 3.31Å; E239-T241 PolarHBondContact O-N 2.83Å; T241-F244 PolarHBondContact O-N 3.46Å; T241-Q245 WeakPolarHBondContact O-CB 3.43Å; T241-Q245 PolarHBondContact O-N 2.89Å |
| 242 | A | 97.7 | Very high | 96.9 | Very high | 51 Ų | 51 | 101.9 Ų | 101.9 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K238 E239 Q245 I246 | K238-A242 VanDerWaalsContact O-CB 3.31Å; K238-A242 WeakPolarHBondContact O-CB 3.13Å; K238-A242 PolarHBondContact O-N 3.23Å; E239-A242 PolarHBondContact O-N 2.94Å; A242-Q245 PolarHBondContact O-N 2.92Å; A242-I246 WeakPolarHBondContact O-CB 3.47Å; A242-I246 WeakPolarHBondContact O-CD1 3.5Å; A242-I246 WeakPolarHBondContact O-CG1 3.26Å; A242-I246 PolarHBondContact O-N 2.94Å |
| 243 | H | 97.8 | Very high | 97.1 | Very high | 123 Ų | 123 | 100.1 Ų | 100.1 | 57% | 0.569 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.4 | -48.8 | 174.7 | -173.4 | -60.6 | 0 | 0 | 0 | 111.2 | E239 A240 Q245 I246 T247 | E239-H243 WeakPolarHBondContact O-CB 3.44Å; E239-H243 PolarHBondContact O-N 2.95Å; A240-H243 PolarHBondContact O-N 2.65Å; H243-Q245 VanDerWaalsContact C-N 3.32Å; H243-Q245 PolarHBondContact O-N 3.4Å; H243-I246 PolarHBondContact O-N 3.41Å; H243-T247 PolarHBondContact CE1-OG1 3.43Å; H243-T247 PolarHBondContact ND1-OG1 2.95Å; H243-T247 WeakPolarHBondContact O-CB 3.48Å; H243-T247 PolarHBondContact O-N 3.25Å; H243-T247 PolarHBondContact O-OG1 3.29Å |
| 244 | F | 97.9 | Very high | 97.2 | Very high | 145 Ų | 145 | 101.4 Ų | 101.4 | 64% | 0.636 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.9 | -41 | 176 | -75.3 | -58.2 | 0 | 0 | 0 | 112.2 | A240 T241 T247 L248 | A240-F244 WeakPolarHBondContact O-CD2 3.32Å; A240-F244 PolarHBondContact O-N 3.31Å; T241-F244 PolarHBondContact O-N 3.46Å; F244-T247 PolarHBondContact O-N 3.28Å; F244-L248 WeakPolarHBondContact O-CB 3.46Å; F244-L248 VanDerWaalsContact O-CG 3.3Å; F244-L248 WeakPolarHBondContact O-CG 3.22Å; F244-L248 PolarHBondContact O-N 2.96Å |
| 245 | Q | 98 | Very high | 97.3 | Very high | 103 Ų | 103 | 101.3 Ų | 101.3 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 177.3 | -169.3 | 63.1 | 66 | 0 | 0 | 112.4 | T241 A242 H243 L248 N249 | T241-Q245 WeakPolarHBondContact O-CB 3.43Å; T241-Q245 PolarHBondContact O-N 2.89Å; A242-Q245 PolarHBondContact O-N 2.92Å; H243-Q245 VanDerWaalsContact C-N 3.32Å; H243-Q245 PolarHBondContact O-N 3.4Å; Q245-L248 PolarHBondContact O-N 3.43Å; Q245-N249 PolarHBondContact NE2-OD1 2.91Å; Q245-N249 WeakPolarHBondContact O-CB 3.33Å; Q245-N249 PolarHBondContact O-N 3.39Å; Q245-N249 PolarHBondContact O-OD1 3.48Å; Q245-N249 VanDerWaalsContact O-OD1 3.1Å |
| 246 | I | 98 | Very high | 97.4 | Very high | 107 Ų | 107 | 101 Ų | 101 | 55% | 0.549 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 174.4 | -69.9 | 162.8 | 0 | 0 | 0 | 110 | A242 H243 L248 N249 E250 | A242-I246 WeakPolarHBondContact O-CB 3.47Å; A242-I246 WeakPolarHBondContact O-CD1 3.5Å; A242-I246 WeakPolarHBondContact O-CG1 3.26Å; A242-I246 PolarHBondContact O-N 2.94Å; H243-I246 PolarHBondContact O-N 3.41Å; I246-L248 PolarHBondContact O-N 2.91Å; I246-N249 PolarHBondContact O-N 2.88Å; I246-E250 WeakPolarHBondContact O-CB 3.38Å; I246-E250 PolarHBondContact O-N 2.87Å |
| 247 | T | 97.3 | Very high | 97.4 | Very high | 50 Ų | 50 | 101.3 Ų | 101.3 | 31% | 0.307 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 177.8 | -52.2 | 0 | 0 | 0 | 0 | 112 | H243 F244 E250 I251 | H243-T247 PolarHBondContact CE1-OG1 3.43Å; H243-T247 PolarHBondContact ND1-OG1 2.95Å; H243-T247 WeakPolarHBondContact O-CB 3.48Å; H243-T247 PolarHBondContact O-N 3.25Å; H243-T247 PolarHBondContact O-OG1 3.29Å; F244-T247 PolarHBondContact O-N 3.28Å; T247-E250 PolarHBondContact O-N 2.85Å; T247-I251 HydrophobicContact CG2-CD1 3.95Å; T247-I251 WeakPolarHBondContact O-CB 3.3Å; T247-I251 VanDerWaalsContact O-CG1 3.26Å; T247-I251 WeakPolarHBondContact O-CG1 3.4Å; T247-I251 PolarHBondContact O-N 3.4Å |
| 248 | L | 97.8 | Very high | 97.5 | Very high | 103 Ų | 103 | 98.4 Ų | 98.4 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 174.9 | -76.9 | 167.8 | 0 | 0 | 0 | 111.9 | F244 Q245 I246 E250 I251 Q252 | F244-L248 WeakPolarHBondContact O-CB 3.46Å; F244-L248 VanDerWaalsContact O-CG 3.3Å; F244-L248 WeakPolarHBondContact O-CG 3.22Å; F244-L248 PolarHBondContact O-N 2.96Å; Q245-L248 PolarHBondContact O-N 3.43Å; I246-L248 PolarHBondContact O-N 2.91Å; L248-E250 VanDerWaalsContact C-N 3.31Å; L248-E250 PolarHBondContact O-N 3.42Å; L248-I251 PolarHBondContact O-N 2.88Å; L248-Q252 WeakPolarHBondContact O-CB 3.33Å; L248-Q252 PolarHBondContact O-N 3.44Å |
| 249 | N | 97.8 | Very high | 97.5 | Very high | 89 Ų | 89 | 97.2 Ų | 97.2 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -37.7 | 176.9 | -67 | -0.7 | 0 | 0 | 0 | 111.7 | Q245 I246 A253 | Q245-N249 PolarHBondContact NE2-OD1 2.91Å; Q245-N249 WeakPolarHBondContact O-CB 3.33Å; Q245-N249 PolarHBondContact O-N 3.39Å; Q245-N249 PolarHBondContact O-OD1 3.48Å; Q245-N249 VanDerWaalsContact O-OD1 3.1Å; I246-N249 PolarHBondContact O-N 2.88Å; N249-A253 WeakPolarHBondContact O-CB 3.26Å; N249-A253 PolarHBondContact O-N 3.34Å |
| 250 | E | 97.9 | Very high | 97.6 | Very high | 113 Ų | 113 | 95.7 Ų | 95.7 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.3 | -42 | 178.1 | -172.8 | 170.7 | -167.4 | 0 | 0 | 112.1 | I246 T247 L248 Q252 A253 Q254 | I246-E250 WeakPolarHBondContact O-CB 3.38Å; I246-E250 PolarHBondContact O-N 2.87Å; T247-E250 PolarHBondContact O-N 2.85Å; L248-E250 VanDerWaalsContact C-N 3.31Å; L248-E250 PolarHBondContact O-N 3.42Å; E250-Q252 VanDerWaalsContact C-N 3.33Å; E250-Q252 PolarHBondContact O-N 2.86Å; E250-A253 PolarHBondContact O-N 3.31Å; E250-Q254 WeakPolarHBondContact O-CG 3.37Å; E250-Q254 PolarHBondContact O-N 3.1Å |
| 251 | I | 97.7 | Very high | 97.7 | Very high | 100 Ų | 100 | 98.6 Ų | 98.6 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 171.9 | -70.6 | 166.3 | 0 | 0 | 0 | 110.6 | T247 L248 Q254 L255 | T247-I251 HydrophobicContact CG2-CD1 3.95Å; T247-I251 WeakPolarHBondContact O-CB 3.3Å; T247-I251 VanDerWaalsContact O-CG1 3.26Å; T247-I251 WeakPolarHBondContact O-CG1 3.4Å; T247-I251 PolarHBondContact O-N 3.4Å; L248-I251 PolarHBondContact O-N 2.88Å; I251-Q254 PolarHBondContact O-N 2.93Å; I251-L255 PolarHBondContact O-N 3.48Å |
| 252 | Q | 97.4 | Very high | 97.8 | Very high | 109 Ų | 109 | 96.2 Ų | 96.2 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65 | -43.3 | 176.8 | -177.3 | 173.3 | -27.1 | 0 | 0 | 111.6 | L248 E250 Q254 L255 E256 | L248-Q252 WeakPolarHBondContact O-CB 3.33Å; L248-Q252 PolarHBondContact O-N 3.44Å; E250-Q252 VanDerWaalsContact C-N 3.33Å; E250-Q252 PolarHBondContact O-N 2.86Å; Q252-Q254 VanDerWaalsContact C-N 3.3Å; Q252-Q254 PolarHBondContact O-N 2.92Å; Q252-L255 WeakPolarHBondContact O-CB 3.42Å; Q252-L255 PolarHBondContact O-N 2.91Å; Q252-L255 VanDerWaalsContact O-N 3.15Å; Q252-E256 HydrophobicContact CG-CG 4.42Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.36Å; Q252-E256 PolarHBondContact NE2-OE1 3.46Å; Q252-E256 WeakPolarHBondContact O-CG 3.41Å; Q252-E256 PolarHBondContact O-N 3.48Å |
| 253 | A | 98.1 | Very high | 97.8 | Very high | 39 Ų | 39 | 96.3 Ų | 96.3 | 32% | 0.322 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.8 | -35.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N249 E250 Q257 | N249-A253 WeakPolarHBondContact O-CB 3.26Å; N249-A253 PolarHBondContact O-N 3.34Å; E250-A253 PolarHBondContact O-N 3.31Å; A253-Q257 WeakPolarHBondContact O-CB 3.4Å; A253-Q257 VanDerWaalsContact O-CG 3.26Å; A253-Q257 WeakPolarHBondContact O-CG 3.46Å; A253-Q257 PolarHBondContact O-N 2.87Å |
| 254 | Q | 97.6 | Very high | 97.8 | Very high | 113 Ų | 113 | 96.3 Ų | 96.3 | 53% | 0.528 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68 | -38.8 | 172.8 | -72.6 | 177.6 | 21.1 | 0 | 0 | 112.1 | E250 I251 Q252 Q257 H258 | E250-Q254 WeakPolarHBondContact O-CG 3.37Å; E250-Q254 PolarHBondContact O-N 3.1Å; I251-Q254 PolarHBondContact O-N 2.93Å; Q252-Q254 VanDerWaalsContact C-N 3.3Å; Q252-Q254 PolarHBondContact O-N 2.92Å; Q254-Q257 PolarHBondContact O-N 2.97Å; Q254-H258 WeakPolarHBondContact O-CB 3.39Å; Q254-H258 PolarHBondContact O-N 2.94Å |
| 255 | L | 96.9 | Very high | 97.8 | Very high | 105 Ų | 105 | 92.6 Ų | 92.6 | 55% | 0.55 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 174.5 | -171.4 | 69.8 | 0 | 0 | 0 | 111.3 | I251 Q252 Q257 H258 D259 | I251-L255 PolarHBondContact O-N 3.48Å; Q252-L255 WeakPolarHBondContact O-CB 3.42Å; Q252-L255 PolarHBondContact O-N 2.91Å; Q252-L255 VanDerWaalsContact O-N 3.15Å; L255-Q257 PolarHBondContact O-N 3.15Å; L255-H258 WeakPolarHBondContact O-CB 3.33Å; L255-H258 PolarHBondContact O-N 3.4Å; L255-D259 PolarHBondContact O-N 3.18Å |
| 256 | E | 97.6 | Very high | 97.8 | Very high | 100 Ų | 100 | 95.4 Ų | 95.4 | 47% | 0.467 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 176.3 | -71.2 | 173 | -168 | 0 | 0 | 111.8 | Q252 D259 I260 | Q252-E256 HydrophobicContact CG-CG 4.42Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.36Å; Q252-E256 PolarHBondContact NE2-OE1 3.46Å; Q252-E256 WeakPolarHBondContact O-CG 3.41Å; Q252-E256 PolarHBondContact O-N 3.48Å; E256-D259 PolarHBondContact O-N 2.94Å; E256-I260 WeakPolarHBondContact O-CB 3.42Å; E256-I260 WeakPolarHBondContact O-CD1 3.5Å; E256-I260 WeakPolarHBondContact O-CG1 3.47Å; E256-I260 PolarHBondContact O-N 3.23Å |
| 257 | Q | 97.6 | Very high | 97.9 | Very high | 134 Ų | 134 | 95 Ų | 95 | 63% | 0.626 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.5 | -41.5 | 172.6 | -77.9 | -179.7 | 25.5 | 0 | 0 | 112.6 | A253 Q254 L255 I260 H261 | A253-Q257 WeakPolarHBondContact O-CB 3.4Å; A253-Q257 VanDerWaalsContact O-CG 3.26Å; A253-Q257 WeakPolarHBondContact O-CG 3.46Å; A253-Q257 PolarHBondContact O-N 2.87Å; Q254-Q257 PolarHBondContact O-N 2.97Å; L255-Q257 PolarHBondContact O-N 3.15Å; Q257-I260 PolarHBondContact O-N 2.79Å; Q257-H261 WeakPolarHBondContact O-CB 3.43Å; Q257-H261 PolarHBondContact O-N 2.89Å |
| 258 | H | 98 | Very high | 97.9 | Very high | 100 Ų | 100 | 97.6 Ų | 97.6 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | 175.3 | 172.2 | -89.1 | 0 | 0 | 0 | 111.2 | Q254 L255 H261 N262 | Q254-H258 WeakPolarHBondContact O-CB 3.39Å; Q254-H258 PolarHBondContact O-N 2.94Å; L255-H258 WeakPolarHBondContact O-CB 3.33Å; L255-H258 PolarHBondContact O-N 3.4Å; H258-H261 PolarHBondContact O-N 3.06Å; H258-N262 WeakPolarHBondContact O-CB 3.46Å; H258-N262 PolarHBondContact O-N 2.84Å |
| 259 | D | 98 | Very high | 97.9 | Very high | 90 Ų | 90 | 97.9 Ų | 97.9 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.3 | -37.1 | -180 | -73.6 | -13.2 | 0 | 0 | 0 | 112.2 | L255 E256 N262 A263 | L255-D259 PolarHBondContact O-N 3.18Å; E256-D259 PolarHBondContact O-N 2.94Å; D259-N262 PolarHBondContact O-N 3.38Å; D259-A263 VanDerWaalsContact O-CB 3.28Å; D259-A263 WeakPolarHBondContact O-CB 3.37Å; D259-A263 PolarHBondContact O-N 3.4Å |
| 260 | I | 97.9 | Very high | 97.9 | Very high | 97 Ų | 97 | 98.3 Ų | 98.3 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 170.1 | -70.6 | 164.3 | 0 | 0 | 0 | 111.1 | E256 Q257 K264 | E256-I260 WeakPolarHBondContact O-CB 3.42Å; E256-I260 WeakPolarHBondContact O-CD1 3.5Å; E256-I260 WeakPolarHBondContact O-CG1 3.47Å; E256-I260 PolarHBondContact O-N 3.23Å; Q257-I260 PolarHBondContact O-N 2.79Å; I260-K264 WeakPolarHBondContact O-CG 3.26Å; I260-K264 PolarHBondContact O-N 3.07Å |
| 261 | H | 98.1 | Very high | 97.9 | Very high | 107 Ų | 107 | 96.4 Ų | 96.4 | 50% | 0.495 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.5 | -42.3 | 176.4 | 177.7 | 49.2 | 0 | 0 | 0 | 111.8 | Q257 H258 A263 K264 L265 | Q257-H261 WeakPolarHBondContact O-CB 3.43Å; Q257-H261 PolarHBondContact O-N 2.89Å; H258-H261 PolarHBondContact O-N 3.06Å; H261-A263 PolarHBondContact O-N 3.5Å; H261-K264 WeakPolarHBondContact O-CB 3.41Å; H261-K264 PolarHBondContact O-N 3.07Å; H261-L265 WeakPolarHBondContact O-CG 3.28Å; H261-L265 PolarHBondContact O-N 3.39Å |
| 262 | N | 98.3 | Very high | 98 | Very high | 42 Ų | 42 | 96.3 Ų | 96.3 | 23% | 0.225 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -66.2 | -38.1 | 178.1 | -153.9 | -78.8 | 0 | 0 | 0 | 111.5 | H258 D259 L265 R266 | H258-N262 WeakPolarHBondContact O-CB 3.46Å; H258-N262 PolarHBondContact O-N 2.84Å; D259-N262 PolarHBondContact O-N 3.38Å; N262-L265 PolarHBondContact O-N 2.91Å; N262-R266 WeakPolarHBondContact O-CG 3.21Å; N262-R266 PolarHBondContact O-N 2.79Å; N262-R266 PolarHBondContact OD1-NH1 3.2Å; N262-R266 PolarHBondContact OD1-NH2 2.94Å; N262-R266 VanDerWaalsContact OD1-NH2 3.07Å |
| 263 | A | 98.3 | Very high | 98 | Very high | 54 Ų | 54 | 92.9 Ų | 92.9 | 45% | 0.446 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D259 H261 R266 Q267 | D259-A263 VanDerWaalsContact O-CB 3.28Å; D259-A263 WeakPolarHBondContact O-CB 3.37Å; D259-A263 PolarHBondContact O-N 3.4Å; H261-A263 PolarHBondContact O-N 3.5Å; A263-R266 PolarHBondContact O-N 2.98Å; A263-Q267 PolarHBondContact O-N 2.95Å |
| 264 | K | 98.3 | Very high | 98.1 | Very high | 122 Ų | 122 | 95.4 Ų | 95.4 | 53% | 0.53 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 173.2 | -72.9 | 172 | -179.6 | 178.9 | 0 | 111.9 | I260 H261 R266 Q267 E268 | I260-K264 WeakPolarHBondContact O-CG 3.26Å; I260-K264 PolarHBondContact O-N 3.07Å; H261-K264 WeakPolarHBondContact O-CB 3.41Å; H261-K264 PolarHBondContact O-N 3.07Å; K264-R266 VanDerWaalsContact C-N 3.29Å; K264-R266 PolarHBondContact O-N 3.49Å; K264-Q267 WeakPolarHBondContact O-CB 3.4Å; K264-Q267 PolarHBondContact O-N 3.16Å; K264-Q267 VanDerWaalsContact O-N 3.1Å; K264-E268 WeakPolarHBondContact O-CG 3.46Å; K264-E268 PolarHBondContact O-N 3.32Å |
| 265 | L | 98.3 | Very high | 98.1 | Very high | 68 Ų | 68 | 95.5 Ų | 95.5 | 36% | 0.356 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.8 | -37.1 | 176.3 | -71.5 | 175.7 | 0 | 0 | 0 | 112.4 | H261 N262 N269 | H261-L265 WeakPolarHBondContact O-CG 3.28Å; H261-L265 PolarHBondContact O-N 3.39Å; N262-L265 PolarHBondContact O-N 2.91Å; L265-N269 WeakPolarHBondContact O-CB 3.48Å; L265-N269 PolarHBondContact O-N 3.07Å; L265-N269 PolarHBondContact O-ND2 3Å |
| 266 | R | 98 | Very high | 98.2 | Very high | 162 Ų | 162 | 95.6 Ų | 95.6 | 61% | 0.611 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.2 | -45 | 172.9 | -72.7 | 179.6 | -175.9 | 120 | 1.2 | 111.9 | N262 A263 K264 N269 I270 | N262-R266 WeakPolarHBondContact O-CG 3.21Å; N262-R266 PolarHBondContact O-N 2.79Å; N262-R266 PolarHBondContact OD1-NH1 3.2Å; N262-R266 PolarHBondContact OD1-NH2 2.94Å; N262-R266 VanDerWaalsContact OD1-NH2 3.07Å; A263-R266 PolarHBondContact O-N 2.98Å; K264-R266 VanDerWaalsContact C-N 3.29Å; K264-R266 PolarHBondContact O-N 3.49Å; R266-N269 PolarHBondContact O-N 3.32Å; R266-I270 WeakPolarHBondContact O-CG1 3.44Å; R266-I270 PolarHBondContact O-N 2.84Å |
| 267 | Q | 98.3 | Very high | 98.2 | Very high | 98 Ų | 98 | 96.7 Ų | 96.7 | 46% | 0.458 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 176.7 | 176.1 | 58.2 | 29.7 | 0 | 0 | 111.9 | A263 K264 N269 I270 E271 | A263-Q267 PolarHBondContact O-N 2.95Å; K264-Q267 WeakPolarHBondContact O-CB 3.4Å; K264-Q267 PolarHBondContact O-N 3.16Å; K264-Q267 VanDerWaalsContact O-N 3.1Å; Q267-N269 VanDerWaalsContact C-N 3.33Å; Q267-N269 PolarHBondContact O-N 3.41Å; Q267-I270 WeakPolarHBondContact O-CB 3.5Å; Q267-I270 PolarHBondContact O-N 3.1Å; Q267-I270 VanDerWaalsContact O-N 3.16Å; Q267-E271 PolarHBondContact NE2-OE1 3.47Å; Q267-E271 PolarHBondContact O-N 2.97Å |
| 268 | E | 97.8 | Very high | 98.3 | Very high | 104 Ų | 104 | 95.3 Ų | 95.3 | 49% | 0.486 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 176.4 | -72.1 | 167.9 | -150 | 0 | 0 | 111.8 | K264 E271 L272 | K264-E268 WeakPolarHBondContact O-CG 3.46Å; K264-E268 PolarHBondContact O-N 3.32Å; E268-E271 PolarHBondContact O-N 3.3Å; E268-L272 WeakPolarHBondContact O-CB 3.34Å; E268-L272 VanDerWaalsContact O-CG 3.26Å; E268-L272 WeakPolarHBondContact O-CG 3.42Å; E268-L272 PolarHBondContact O-N 2.79Å |
| 269 | N | 98.4 | Very high | 98.3 | Very high | 110 Ų | 110 | 94.4 Ų | 94.4 | 59% | 0.588 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.1 | -38.9 | 174.3 | -85.6 | -82.6 | 0 | 0 | 0 | 112.9 | L265 R266 Q267 L272 G273 | L265-N269 WeakPolarHBondContact O-CB 3.48Å; L265-N269 PolarHBondContact O-N 3.07Å; L265-N269 PolarHBondContact O-ND2 3Å; R266-N269 PolarHBondContact O-N 3.32Å; Q267-N269 VanDerWaalsContact C-N 3.33Å; Q267-N269 PolarHBondContact O-N 3.41Å; N269-L272 PolarHBondContact O-N 2.92Å; N269-G273 PolarHBondContact O-N 2.89Å |
| 270 | I | 98.3 | Very high | 98.3 | Very high | 98 Ų | 98 | 95.8 Ų | 95.8 | 50% | 0.503 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 174.5 | -69.4 | 163.3 | 0 | 0 | 0 | 110 | R266 Q267 L272 G273 E274 | R266-I270 WeakPolarHBondContact O-CG1 3.44Å; R266-I270 PolarHBondContact O-N 2.84Å; Q267-I270 WeakPolarHBondContact O-CB 3.5Å; Q267-I270 PolarHBondContact O-N 3.1Å; Q267-I270 VanDerWaalsContact O-N 3.16Å; I270-L272 PolarHBondContact O-N 3.07Å; I270-G273 PolarHBondContact O-N 2.92Å; I270-E274 PolarHBondContact O-N 2.98Å |
| 271 | E | 98.3 | Very high | 98.3 | Very high | 73 Ų | 73 | 95.1 Ų | 95.1 | 34% | 0.341 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 178.2 | -72.2 | -178.2 | -149.8 | 0 | 0 | 113.6 | Q267 E268 G273 E274 K275 | Q267-E271 PolarHBondContact NE2-OE1 3.47Å; Q267-E271 PolarHBondContact O-N 2.97Å; E268-E271 PolarHBondContact O-N 3.3Å; E271-G273 VanDerWaalsContact C-N 3.35Å; E271-E274 PolarHBondContact O-N 3.49Å; E271-K275 WeakPolarHBondContact O-CB 3.14Å; E271-K275 VanDerWaalsContact O-CD 3.23Å; E271-K275 WeakPolarHBondContact O-CD 3.47Å; E271-K275 WeakPolarHBondContact O-CG 3.35Å; E271-K275 PolarHBondContact O-N 3.46Å; E271-K275 IonicContact OE2-NZ 3.98Å; E271-K275 PolarHBondContact OE2-NZ 3.19Å |
| 272 | L | 98.6 | Very high | 98.3 | Very high | 97 Ų | 97 | 96.2 Ų | 96.2 | 51% | 0.508 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 173.1 | -72.4 | 169.3 | 0 | 0 | 0 | 110.9 | E268 N269 I270 K275 L276 | E268-L272 WeakPolarHBondContact O-CB 3.34Å; E268-L272 VanDerWaalsContact O-CG 3.26Å; E268-L272 WeakPolarHBondContact O-CG 3.42Å; E268-L272 PolarHBondContact O-N 2.79Å; N269-L272 PolarHBondContact O-N 2.92Å; I270-L272 PolarHBondContact O-N 3.07Å; L272-K275 PolarHBondContact O-N 3.39Å; L272-L276 WeakPolarHBondContact O-CB 3.39Å; L272-L276 WeakPolarHBondContact O-CG 3.27Å; L272-L276 PolarHBondContact O-N 2.89Å |
| 273 | G | 98.5 | Very high | 98.3 | Very high | 38 Ų | 38 | 101.4 Ų | 101.4 | 39% | 0.392 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N269 I270 E271 L276 K277 | N269-G273 PolarHBondContact O-N 2.89Å; I270-G273 PolarHBondContact O-N 2.92Å; E271-G273 VanDerWaalsContact C-N 3.35Å; G273-L276 PolarHBondContact O-N 2.92Å; G273-K277 WeakPolarHBondContact O-CB 3.23Å; G273-K277 PolarHBondContact O-N 3.28Å |
| 274 | E | 98.4 | Very high | 98.3 | Very high | 92 Ų | 92 | 101.4 Ų | 101.4 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 173.2 | -77.9 | -161.9 | -169.3 | 0 | 0 | 113 | I270 E271 L276 K277 K278 | I270-E274 PolarHBondContact O-N 2.98Å; E271-E274 PolarHBondContact O-N 3.49Å; E274-L276 VanDerWaalsContact C-N 3.32Å; E274-L276 PolarHBondContact O-N 2.96Å; E274-K277 PolarHBondContact O-N 3.45Å; E274-K278 WeakPolarHBondContact O-CB 3.27Å; E274-K278 WeakPolarHBondContact O-CD 3.4Å; E274-K278 VanDerWaalsContact O-CG 3.27Å; E274-K278 WeakPolarHBondContact O-CG 3.38Å; E274-K278 PolarHBondContact O-N 3.37Å; E274-K278 IonicContact OE2-NZ 3.28Å; E274-K278 PolarHBondContact OE2-NZ 3Å |
| 275 | K | 98.5 | Very high | 98.4 | Very high | 115 Ų | 115 | 101 Ų | 101 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 178.7 | -71.4 | 156.2 | -164.8 | 162 | 0 | 110.3 | E271 L272 L279 | E271-K275 WeakPolarHBondContact O-CB 3.14Å; E271-K275 VanDerWaalsContact O-CD 3.23Å; E271-K275 WeakPolarHBondContact O-CD 3.47Å; E271-K275 WeakPolarHBondContact O-CG 3.35Å; E271-K275 PolarHBondContact O-N 3.46Å; E271-K275 IonicContact OE2-NZ 3.98Å; E271-K275 PolarHBondContact OE2-NZ 3.19Å; L272-K275 PolarHBondContact O-N 3.39Å; K275-L279 WeakPolarHBondContact O-CB 3.41Å; K275-L279 PolarHBondContact O-N 2.87Å; K275-L279 VanDerWaalsContact O-N 3.07Å |
| 276 | L | 98.4 | Very high | 98.3 | Very high | 107 Ų | 107 | 105.9 Ų | 105.9 | 56% | 0.56 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.5 | -44.9 | 172.3 | -72.8 | 167.9 | 0 | 0 | 0 | 112.5 | L272 G273 E274 L279 I280 | L272-L276 WeakPolarHBondContact O-CB 3.39Å; L272-L276 WeakPolarHBondContact O-CG 3.27Å; L272-L276 PolarHBondContact O-N 2.89Å; G273-L276 PolarHBondContact O-N 2.92Å; E274-L276 VanDerWaalsContact C-N 3.32Å; E274-L276 PolarHBondContact O-N 2.96Å; L276-L279 WeakPolarHBondContact O-CB 3.34Å; L276-L279 PolarHBondContact O-N 2.87Å; L276-I280 WeakPolarHBondContact O-CG1 3.28Å; L276-I280 PolarHBondContact O-N 2.96Å |
| 277 | K | 98.6 | Very high | 98.4 | Very high | 123 Ų | 123 | 104.9 Ų | 104.9 | 54% | 0.535 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.4 | -48.6 | 177 | -176.4 | 175.7 | -176.2 | -81.4 | 0 | 111.7 | G273 E274 L279 I280 E281 | G273-K277 WeakPolarHBondContact O-CB 3.23Å; G273-K277 PolarHBondContact O-N 3.28Å; E274-K277 PolarHBondContact O-N 3.45Å; K277-L279 VanDerWaalsContact C-N 3.29Å; K277-L279 PolarHBondContact O-N 2.62Å; K277-I280 PolarHBondContact O-N 2.91Å; K277-E281 WeakPolarHBondContact CE-OE1 3.34Å; K277-E281 IonicContact NZ-OE1 2.6Å; K277-E281 PolarHBondContact NZ-OE1 3.17Å; K277-E281 VanDerWaalsContact O-CG 3.32Å; K277-E281 WeakPolarHBondContact O-CG 3.5Å; K277-E281 PolarHBondContact O-N 3.29Å |
| 278 | K | 98.5 | Very high | 98.4 | Very high | 105 Ų | 105 | 104.8 Ų | 104.8 | 46% | 0.457 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -36.7 | 177.1 | -72.3 | 160.2 | -179.8 | 163.3 | 0 | 111.9 | E274 Q282 | E274-K278 WeakPolarHBondContact O-CB 3.27Å; E274-K278 WeakPolarHBondContact O-CD 3.4Å; E274-K278 VanDerWaalsContact O-CG 3.27Å; E274-K278 WeakPolarHBondContact O-CG 3.38Å; E274-K278 PolarHBondContact O-N 3.37Å; E274-K278 IonicContact OE2-NZ 3.28Å; E274-K278 PolarHBondContact OE2-NZ 3Å; K278-Q282 VanDerWaalsContact O-CG 3.32Å; K278-Q282 WeakPolarHBondContact O-CG 3.32Å; K278-Q282 PolarHBondContact O-N 3.25Å |
| 279 | L | 98.4 | Very high | 98.4 | Very high | 81 Ų | 81 | 105.4 Ų | 105.4 | 42% | 0.424 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.6 | -43.6 | 174.9 | -175 | 64.7 | 0 | 0 | 0 | 112 | K275 L276 K277 Q282 Y283 | K275-L279 WeakPolarHBondContact O-CB 3.41Å; K275-L279 PolarHBondContact O-N 2.87Å; K275-L279 VanDerWaalsContact O-N 3.07Å; L276-L279 WeakPolarHBondContact O-CB 3.34Å; L276-L279 PolarHBondContact O-N 2.87Å; K277-L279 VanDerWaalsContact C-N 3.29Å; K277-L279 PolarHBondContact O-N 2.62Å; L279-Q282 PolarHBondContact O-N 3.26Å; L279-Y283 HydrophobicContact CD1-CD2 4.1Å; L279-Y283 HydrophobicContact CD1-CE2 3.7Å; L279-Y283 HydrophobicContact CD2-CE2 4.38Å; L279-Y283 HydrophobicContact CG-CD2 3.99Å; L279-Y283 HydrophobicContact CG-CE2 3.83Å; L279-Y283 VanDerWaalsContact O-CD2 3.27Å; L279-Y283 WeakPolarHBondContact O-CD2 3.32Å; L279-Y283 PolarHBondContact O-N 3.19Å |
| 280 | I | 98.3 | Very high | 98.4 | Very high | 118 Ų | 118 | 103.9 Ų | 103.9 | 61% | 0.605 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.2 | -43.9 | 175.3 | -67.4 | 162.9 | 0 | 0 | 0 | 110.7 | L276 K277 Q282 Y283 A284 | L276-I280 WeakPolarHBondContact O-CG1 3.28Å; L276-I280 PolarHBondContact O-N 2.96Å; K277-I280 PolarHBondContact O-N 2.91Å; I280-Q282 VanDerWaalsContact C-N 3.34Å; I280-Q282 PolarHBondContact O-N 2.98Å; I280-Y283 PolarHBondContact O-N 3.21Å; I280-A284 PolarHBondContact O-N 3.06Å |
| 281 | E | 98.4 | Very high | 98.4 | Very high | 84 Ų | 84 | 102.9 Ų | 102.9 | 39% | 0.393 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.4 | -41 | 175.7 | -71.9 | 166.3 | 168.7 | 0 | 0 | 111.8 | K277 A284 L285 | K277-E281 WeakPolarHBondContact CE-OE1 3.34Å; K277-E281 IonicContact NZ-OE1 2.6Å; K277-E281 PolarHBondContact NZ-OE1 3.17Å; K277-E281 VanDerWaalsContact O-CG 3.32Å; K277-E281 WeakPolarHBondContact O-CG 3.5Å; K277-E281 PolarHBondContact O-N 3.29Å; E281-A284 PolarHBondContact O-N 2.94Å; E281-L285 WeakPolarHBondContact O-CG 3.36Å; E281-L285 PolarHBondContact O-N 3.4Å |
| 282 | Q | 98.3 | Very high | 98.4 | Very high | 129 Ų | 129 | 104.6 Ų | 104.6 | 60% | 0.603 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.4 | -39.5 | 173.7 | -76.1 | 177.4 | 1.2 | 0 | 0 | 113.2 | K278 L279 I280 R286 | K278-Q282 VanDerWaalsContact O-CG 3.32Å; K278-Q282 WeakPolarHBondContact O-CG 3.32Å; K278-Q282 PolarHBondContact O-N 3.25Å; L279-Q282 PolarHBondContact O-N 3.26Å; I280-Q282 VanDerWaalsContact C-N 3.34Å; I280-Q282 PolarHBondContact O-N 2.98Å; Q282-R286 WeakPolarHBondContact O-CB 3.48Å; Q282-R286 PolarHBondContact O-N 3.48Å |
| 283 | Y | 98.5 | Very high | 98.4 | Very high | 151 Ų | 151 | 103.2 Ų | 103.2 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.6 | -43.3 | 175.2 | -86.2 | -69.2 | 0 | 0 | 0 | 112 | L279 I280 L285 R286 E287 | L279-Y283 HydrophobicContact CD1-CD2 4.1Å; L279-Y283 HydrophobicContact CD1-CE2 3.7Å; L279-Y283 HydrophobicContact CD2-CE2 4.38Å; L279-Y283 HydrophobicContact CG-CD2 3.99Å; L279-Y283 HydrophobicContact CG-CE2 3.83Å; L279-Y283 VanDerWaalsContact O-CD2 3.27Å; L279-Y283 WeakPolarHBondContact O-CD2 3.32Å; L279-Y283 PolarHBondContact O-N 3.19Å; I280-Y283 PolarHBondContact O-N 3.21Å; Y283-L285 PolarHBondContact O-N 3.45Å; Y283-R286 PolarHBondContact O-N 2.84Å; Y283-E287 WeakPolarHBondContact O-CB 3.4Å; Y283-E287 PolarHBondContact O-N 2.94Å |
| 284 | A | 98.3 | Very high | 98.4 | Very high | 54 Ų | 54 | 108.1 Ų | 108.1 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I280 E281 E287 E288 | I280-A284 PolarHBondContact O-N 3.06Å; E281-A284 PolarHBondContact O-N 2.94Å; A284-E287 PolarHBondContact O-N 2.63Å; A284-E288 WeakPolarHBondContact O-CB 3.41Å; A284-E288 PolarHBondContact O-N 3.08Å |
| 285 | L | 98.5 | Very high | 98.4 | Very high | 113 Ų | 113 | 109.3 Ų | 109.3 | 59% | 0.592 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.5 | -36.4 | 174.3 | -71.6 | 169.3 | 0 | 0 | 0 | 112.6 | E281 Y283 H289 | E281-L285 WeakPolarHBondContact O-CG 3.36Å; E281-L285 PolarHBondContact O-N 3.4Å; Y283-L285 PolarHBondContact O-N 3.45Å; L285-H289 WeakPolarHBondContact O-CB 3.42Å; L285-H289 PolarHBondContact O-N 3.42Å |
| 286 | R | 98.1 | Very high | 98.4 | Very high | 172 Ų | 172 | 109.6 Ų | 109.6 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.3 | -40.4 | 175.3 | -176 | 178.9 | -179.4 | 127.6 | 2.1 | 111.7 | Q282 Y283 H289 I290 | Q282-R286 WeakPolarHBondContact O-CB 3.48Å; Q282-R286 PolarHBondContact O-N 3.48Å; Y283-R286 PolarHBondContact O-N 2.84Å; R286-H289 PolarHBondContact O-N 3.39Å; R286-I290 HydrophobicContact CG-CD1 4.08Å; R286-I290 VanDerWaalsContact O-CG1 3.28Å; R286-I290 WeakPolarHBondContact O-CG1 3.38Å; R286-I290 PolarHBondContact O-N 3.46Å |
| 287 | E | 98.2 | Very high | 98.4 | Very high | 141 Ų | 141 | 110 Ų | 110 | 66% | 0.659 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.3 | -49.4 | 174.9 | -172.5 | 167.4 | -149 | 0 | 0 | 110.4 | Y283 A284 H289 I290 D291 | Y283-E287 WeakPolarHBondContact O-CB 3.4Å; Y283-E287 PolarHBondContact O-N 2.94Å; A284-E287 PolarHBondContact O-N 2.63Å; E287-H289 VanDerWaalsContact C-N 3.27Å; E287-H289 PolarHBondContact O-N 2.99Å; E287-I290 WeakPolarHBondContact O-CB 3.46Å; E287-I290 PolarHBondContact O-N 3.43Å; E287-I290 VanDerWaalsContact O-N 3.08Å; E287-D291 WeakPolarHBondContact O-CB 3.27Å; E287-D291 PolarHBondContact O-N 3.06Å |
| 288 | E | 98.2 | Very high | 98.4 | Very high | 96 Ų | 96 | 109.1 Ų | 109.1 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.7 | -36.3 | 175.5 | -159.2 | -144.1 | 173.9 | 0 | 0 | 112.6 | A284 K292 | A284-E288 WeakPolarHBondContact O-CB 3.41Å; A284-E288 PolarHBondContact O-N 3.08Å; E288-K292 VanDerWaalsContact CD-CE 3.44Å; E288-K292 WeakPolarHBondContact O-CD 3.22Å; E288-K292 VanDerWaalsContact O-CG 3.27Å; E288-K292 WeakPolarHBondContact O-CG 3.43Å; E288-K292 PolarHBondContact O-N 3.26Å; E288-K292 WeakPolarHBondContact OE1-CE 3.41Å; E288-K292 IonicContact OE1-NZ 3.21Å; E288-K292 PolarHBondContact OE1-NZ 2.57Å; E288-K292 IonicContact OE2-NZ 2.98Å; E288-K292 PolarHBondContact OE2-NZ 2.94Å |
| 289 | H | 98.3 | Very high | 98.4 | Very high | 116 Ų | 116 | 109.2 Ų | 109.2 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.7 | -44.9 | 173.1 | 178.6 | -84 | 0 | 0 | 0 | 112.5 | L285 R286 E287 D291 K292 V293 | L285-H289 WeakPolarHBondContact O-CB 3.42Å; L285-H289 PolarHBondContact O-N 3.42Å; R286-H289 PolarHBondContact O-N 3.39Å; E287-H289 VanDerWaalsContact C-N 3.27Å; E287-H289 PolarHBondContact O-N 2.99Å; H289-D291 VanDerWaalsContact C-N 3.26Å; H289-D291 PolarHBondContact O-N 3.02Å; H289-K292 PolarHBondContact O-N 3.26Å; H289-V293 WeakPolarHBondContact O-CG2 3.39Å; H289-V293 PolarHBondContact O-N 2.85Å |
| 290 | I | 98.4 | Very high | 98.4 | Very high | 78 Ų | 78 | 109.6 Ų | 109.6 | 40% | 0.4 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 174.7 | -73.3 | 164.4 | 0 | 0 | 0 | 110 | R286 E287 K292 V293 F294 | R286-I290 HydrophobicContact CG-CD1 4.08Å; R286-I290 VanDerWaalsContact O-CG1 3.28Å; R286-I290 WeakPolarHBondContact O-CG1 3.38Å; R286-I290 PolarHBondContact O-N 3.46Å; E287-I290 WeakPolarHBondContact O-CB 3.46Å; E287-I290 PolarHBondContact O-N 3.43Å; E287-I290 VanDerWaalsContact O-N 3.08Å; I290-K292 VanDerWaalsContact C-N 3.35Å; I290-K292 PolarHBondContact O-N 2.85Å; I290-V293 PolarHBondContact O-N 3.33Å; I290-V293 VanDerWaalsContact O-N 3.13Å; I290-F294 HydrophobicContact CG2-CD2 3.68Å; I290-F294 HydrophobicContact CG2-CE2 3.78Å; I290-F294 WeakPolarHBondContact O-CD2 3.46Å; I290-F294 PolarHBondContact O-N 2.8Å |
| 291 | D | 98.4 | Very high | 98.4 | Very high | 77 Ų | 77 | 108.6 Ų | 108.6 | 41% | 0.412 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 179.1 | -144.2 | 40.5 | 0 | 0 | 0 | 112.2 | E287 H289 K295 | E287-D291 WeakPolarHBondContact O-CB 3.27Å; E287-D291 PolarHBondContact O-N 3.06Å; H289-D291 VanDerWaalsContact C-N 3.26Å; H289-D291 PolarHBondContact O-N 3.02Å; D291-K295 WeakPolarHBondContact O-CD 3.44Å; D291-K295 VanDerWaalsContact O-CG 3.26Å; D291-K295 WeakPolarHBondContact O-CG 3.49Å; D291-K295 PolarHBondContact O-N 2.68Å; D291-K295 WeakPolarHBondContact OD2-CE 3.39Å; D291-K295 IonicContact OD2-NZ 2.66Å; D291-K295 PolarHBondContact OD2-NZ 2.92Å |
| 292 | K | 98.4 | Very high | 98.4 | Very high | 110 Ų | 110 | 109.3 Ų | 109.3 | 48% | 0.478 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 171.5 | -72.3 | 161.8 | -174.8 | 167.7 | 0 | 112.1 | E288 H289 I290 K295 H296 | E288-K292 VanDerWaalsContact CD-CE 3.44Å; E288-K292 WeakPolarHBondContact O-CD 3.22Å; E288-K292 VanDerWaalsContact O-CG 3.27Å; E288-K292 WeakPolarHBondContact O-CG 3.43Å; E288-K292 PolarHBondContact O-N 3.26Å; E288-K292 WeakPolarHBondContact OE1-CE 3.41Å; E288-K292 IonicContact OE1-NZ 3.21Å; E288-K292 PolarHBondContact OE1-NZ 2.57Å; E288-K292 IonicContact OE2-NZ 2.98Å; E288-K292 PolarHBondContact OE2-NZ 2.94Å; H289-K292 PolarHBondContact O-N 3.26Å; I290-K292 VanDerWaalsContact C-N 3.35Å; I290-K292 PolarHBondContact O-N 2.85Å; K292-K295 PolarHBondContact O-N 3.01Å; K292-H296 WeakPolarHBondContact O-CB 3.41Å; K292-H296 PolarHBondContact O-N 2.84Å |
| 293 | V | 98.5 | Very high | 98.4 | Very high | 67 Ų | 67 | 107.6 Ų | 107.6 | 41% | 0.406 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | 176.6 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | H289 I290 H296 K297 | H289-V293 WeakPolarHBondContact O-CG2 3.39Å; H289-V293 PolarHBondContact O-N 2.85Å; I290-V293 PolarHBondContact O-N 3.33Å; I290-V293 VanDerWaalsContact O-N 3.13Å; V293-H296 PolarHBondContact O-N 2.92Å; V293-K297 HydrophobicContact CG1-CG 4.5Å; V293-K297 WeakPolarHBondContact O-CG 3.29Å; V293-K297 PolarHBondContact O-N 3.13Å |
| 294 | F | 98.6 | Very high | 98.4 | Very high | 141 Ų | 141 | 103.9 Ų | 103.9 | 62% | 0.618 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.8 | -49 | 173.7 | -94.4 | -75.1 | 0 | 0 | 0 | 111.7 | I290 H296 K297 E298 | I290-F294 HydrophobicContact CG2-CD2 3.68Å; I290-F294 HydrophobicContact CG2-CE2 3.78Å; I290-F294 WeakPolarHBondContact O-CD2 3.46Å; I290-F294 PolarHBondContact O-N 2.8Å; F294-H296 VanDerWaalsContact C-N 3.3Å; F294-H296 PolarHBondContact O-N 3.24Å; F294-K297 PolarHBondContact O-N 3.09Å; F294-K297 VanDerWaalsContact O-N 3.09Å; F294-E298 WeakPolarHBondContact O-CB 3.48Å; F294-E298 PolarHBondContact O-N 3.11Å |
| 295 | K | 98.4 | Very high | 98.4 | Very high | 118 Ų | 118 | 104.1 Ų | 104.1 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.7 | -37.9 | 177.4 | -71.1 | 161.3 | -166 | 166.1 | 0 | 112.4 | D291 K292 L299 | D291-K295 WeakPolarHBondContact O-CD 3.44Å; D291-K295 VanDerWaalsContact O-CG 3.26Å; D291-K295 WeakPolarHBondContact O-CG 3.49Å; D291-K295 PolarHBondContact O-N 2.68Å; D291-K295 WeakPolarHBondContact OD2-CE 3.39Å; D291-K295 IonicContact OD2-NZ 2.66Å; D291-K295 PolarHBondContact OD2-NZ 2.92Å; K292-K295 PolarHBondContact O-N 3.01Å; K295-L299 WeakPolarHBondContact O-CB 3.43Å; K295-L299 VanDerWaalsContact O-CG 3.29Å; K295-L299 WeakPolarHBondContact O-CG 3.49Å; K295-L299 PolarHBondContact O-N 2.84Å; K295-L299 VanDerWaalsContact O-N 3.11Å |
| 296 | H | 98.4 | Very high | 98.4 | Very high | 121 Ų | 121 | 101.3 Ų | 101.3 | 56% | 0.56 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.1 | -40.6 | 173.5 | 179.5 | 67.7 | 0 | 0 | 0 | 112.6 | K292 V293 F294 Q300 | K292-H296 WeakPolarHBondContact O-CB 3.41Å; K292-H296 PolarHBondContact O-N 2.84Å; V293-H296 PolarHBondContact O-N 2.92Å; F294-H296 VanDerWaalsContact C-N 3.3Å; F294-H296 PolarHBondContact O-N 3.24Å; H296-Q300 WeakPolarHBondContact O-CB 3.26Å; H296-Q300 PolarHBondContact O-N 2.88Å |
| 297 | K | 98.4 | Very high | 98.4 | Very high | 115 Ų | 115 | 98.9 Ų | 98.9 | 50% | 0.5 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.7 | -39.4 | 178.1 | -74.9 | -73.3 | 163.6 | -164.1 | 0 | 113 | V293 F294 Q300 Q301 | V293-K297 HydrophobicContact CG1-CG 4.5Å; V293-K297 WeakPolarHBondContact O-CG 3.29Å; V293-K297 PolarHBondContact O-N 3.13Å; F294-K297 PolarHBondContact O-N 3.09Å; F294-K297 VanDerWaalsContact O-N 3.09Å; K297-Q300 WeakPolarHBondContact O-CB 3.46Å; K297-Q300 PolarHBondContact O-N 3.35Å; K297-Q301 WeakPolarHBondContact O-CB 3.44Å; K297-Q301 PolarHBondContact O-N 2.98Å |
| 298 | E | 98.6 | Very high | 98.4 | Very high | 104 Ų | 104 | 97.1 Ų | 97.1 | 49% | 0.486 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60 | -49.3 | 173.3 | -179.4 | 57.1 | -150.1 | 0 | 0 | 111.1 | F294 Q300 Q301 Q302 | F294-E298 WeakPolarHBondContact O-CB 3.48Å; F294-E298 PolarHBondContact O-N 3.11Å; E298-Q300 VanDerWaalsContact C-N 3.3Å; E298-Q300 PolarHBondContact O-N 3.05Å; E298-Q301 PolarHBondContact O-N 2.74Å; E298-Q301 VanDerWaalsContact O-N 3.16Å; E298-Q302 WeakPolarHBondContact O-CG 3.34Å; E298-Q302 PolarHBondContact O-N 3.19Å; E298-Q302 PolarHBondContact OE1-NE2 3.46Å |
| 299 | L | 98.5 | Very high | 98.4 | Very high | 107 Ų | 107 | 99.2 Ų | 99.2 | 56% | 0.56 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.9 | -33.5 | 175.2 | -69.5 | 170.6 | 0 | 0 | 0 | 112.8 | K295 L303 | K295-L299 WeakPolarHBondContact O-CB 3.43Å; K295-L299 VanDerWaalsContact O-CG 3.29Å; K295-L299 WeakPolarHBondContact O-CG 3.49Å; K295-L299 PolarHBondContact O-N 2.84Å; K295-L299 VanDerWaalsContact O-N 3.11Å; L299-L303 WeakPolarHBondContact O-CB 3.08Å; L299-L303 PolarHBondContact O-N 2.93Å; L299-L303 VanDerWaalsContact O-N 3.15Å |
| 300 | Q | 98.1 | Very high | 98.4 | Very high | 90 Ų | 90 | 99.8 Ų | 99.8 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 173.2 | -174 | 177.9 | 13.7 | 0 | 0 | 111.4 | H296 K297 E298 L303 V304 | H296-Q300 WeakPolarHBondContact O-CB 3.26Å; H296-Q300 PolarHBondContact O-N 2.88Å; K297-Q300 WeakPolarHBondContact O-CB 3.46Å; K297-Q300 PolarHBondContact O-N 3.35Å; E298-Q300 VanDerWaalsContact C-N 3.3Å; E298-Q300 PolarHBondContact O-N 3.05Å; Q300-L303 PolarHBondContact O-N 3.18Å; Q300-V304 WeakPolarHBondContact O-CG2 3.35Å; Q300-V304 PolarHBondContact O-N 3.47Å |
| 301 | Q | 98.5 | Very high | 98.3 | Very high | 97 Ų | 97 | 99.7 Ų | 99.7 | 45% | 0.453 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -51 | 177.9 | -177.8 | 56.4 | 46.1 | 0 | 0 | 111 | K297 E298 L303 V304 D305 | K297-Q301 WeakPolarHBondContact O-CB 3.44Å; K297-Q301 PolarHBondContact O-N 2.98Å; E298-Q301 PolarHBondContact O-N 2.74Å; E298-Q301 VanDerWaalsContact O-N 3.16Å; Q301-L303 PolarHBondContact O-N 3.18Å; Q301-V304 WeakPolarHBondContact O-CA 3.28Å; Q301-V304 WeakPolarHBondContact O-CB 3.35Å; Q301-V304 PolarHBondContact O-N 3.15Å; Q301-D305 WeakPolarHBondContact CG-OD2 3.45Å; Q301-D305 PolarHBondContact NE2-OD1 2.89Å; Q301-D305 PolarHBondContact NE2-OD2 2.87Å; Q301-D305 PolarHBondContact O-N 3.37Å |
| 302 | Q | 98.4 | Very high | 98.3 | Very high | 98 Ų | 98 | 98.7 Ų | 98.7 | 46% | 0.458 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -55.8 | -36.5 | 176.7 | -68.8 | 175.7 | 11.1 | 0 | 0 | 112.8 | E298 A306 | E298-Q302 WeakPolarHBondContact O-CG 3.34Å; E298-Q302 PolarHBondContact O-N 3.19Å; E298-Q302 PolarHBondContact OE1-NE2 3.46Å; Q302-A306 VanDerWaalsContact O-CB 3.28Å; Q302-A306 WeakPolarHBondContact O-CB 3.45Å; Q302-A306 PolarHBondContact O-N 3.47Å |
| 303 | L | 98.4 | Very high | 98.3 | Very high | 93 Ų | 93 | 99 Ų | 99 | 49% | 0.487 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.1 | -32.3 | 175.6 | -179.9 | 148.7 | 0 | 0 | 0 | 113.1 | L299 Q300 Q301 K307 | L299-L303 WeakPolarHBondContact O-CB 3.08Å; L299-L303 PolarHBondContact O-N 2.93Å; L299-L303 VanDerWaalsContact O-N 3.15Å; Q300-L303 PolarHBondContact O-N 3.18Å; Q301-L303 PolarHBondContact O-N 3.18Å; L303-K307 HydrophobicContact CD2-CD 4.1Å; L303-K307 VanDerWaalsContact O-CG 3.32Å; L303-K307 WeakPolarHBondContact O-CG 3.39Å; L303-K307 PolarHBondContact O-N 2.72Å |
| 304 | V | 98.3 | Very high | 98.3 | Very high | 74 Ų | 74 | 100.7 Ų | 100.7 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.4 | -45.9 | 172.5 | 170.9 | 0 | 0 | 0 | 0 | 110.2 | Q300 Q301 A306 K307 L308 | Q300-V304 WeakPolarHBondContact O-CG2 3.35Å; Q300-V304 PolarHBondContact O-N 3.47Å; Q301-V304 WeakPolarHBondContact O-CA 3.28Å; Q301-V304 WeakPolarHBondContact O-CB 3.35Å; Q301-V304 PolarHBondContact O-N 3.15Å; V304-A306 PolarHBondContact O-N 2.93Å; V304-K307 PolarHBondContact O-N 2.92Å; V304-L308 PolarHBondContact O-N 3.16Å |
| 305 | D | 98.5 | Very high | 98.3 | Very high | 58 Ų | 58 | 98.3 Ų | 98.3 | 31% | 0.31 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 180 | -66.3 | -36.9 | 0 | 0 | 0 | 112.1 | Q301 K307 L308 Q309 | Q301-D305 WeakPolarHBondContact CG-OD2 3.45Å; Q301-D305 PolarHBondContact NE2-OD1 2.89Å; Q301-D305 PolarHBondContact NE2-OD2 2.87Å; Q301-D305 PolarHBondContact O-N 3.37Å; D305-K307 VanDerWaalsContact C-N 3.35Å; D305-K307 PolarHBondContact O-N 2.97Å; D305-L308 PolarHBondContact O-N 3.34Å; D305-Q309 WeakPolarHBondContact O-CB 3.32Å; D305-Q309 VanDerWaalsContact O-CG 3.27Å; D305-Q309 WeakPolarHBondContact O-CG 3.33Å; D305-Q309 PolarHBondContact O-N 2.83Å |
| 306 | A | 98.4 | Very high | 98.2 | Very high | 54 Ų | 54 | 98.7 Ų | 98.7 | 45% | 0.446 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q302 V304 Q310 | Q302-A306 VanDerWaalsContact O-CB 3.28Å; Q302-A306 WeakPolarHBondContact O-CB 3.45Å; Q302-A306 PolarHBondContact O-N 3.47Å; V304-A306 PolarHBondContact O-N 2.93Å; A306-Q310 WeakPolarHBondContact O-CB 3.34Å; A306-Q310 PolarHBondContact O-N 3.03Å |
| 307 | K | 98.4 | Very high | 98.2 | Very high | 121 Ų | 121 | 97.3 Ų | 97.3 | 53% | 0.526 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.8 | -37.6 | 174.6 | -76 | 176 | 178.5 | -177.2 | 0 | 112.4 | L303 V304 D305 T311 | L303-K307 HydrophobicContact CD2-CD 4.1Å; L303-K307 VanDerWaalsContact O-CG 3.32Å; L303-K307 WeakPolarHBondContact O-CG 3.39Å; L303-K307 PolarHBondContact O-N 2.72Å; V304-K307 PolarHBondContact O-N 2.92Å; D305-K307 VanDerWaalsContact C-N 3.35Å; D305-K307 PolarHBondContact O-N 2.97Å; K307-T311 WeakPolarHBondContact O-CB 3.27Å; K307-T311 PolarHBondContact O-N 3.21Å; K307-T311 PolarHBondContact O-OG1 3.26Å |
| 308 | L | 98.4 | Very high | 98.2 | Very high | 105 Ų | 105 | 93.7 Ų | 93.7 | 55% | 0.55 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.9 | -49.1 | 174.8 | -179.5 | 59.6 | 0 | 0 | 0 | 110.2 | V304 D305 Q310 T311 T312 | V304-L308 PolarHBondContact O-N 3.16Å; D305-L308 PolarHBondContact O-N 3.34Å; L308-Q310 PolarHBondContact O-N 3.34Å; L308-T311 PolarHBondContact O-N 2.96Å; L308-T312 WeakPolarHBondContact O-CB 3.42Å; L308-T312 PolarHBondContact O-N 3.45Å; L308-T312 PolarHBondContact O-OG1 3.13Å |
| 309 | Q | 98.1 | Very high | 98.1 | Very high | 139 Ų | 139 | 93 Ų | 93 | 65% | 0.65 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.7 | -47.4 | 175.4 | -71.7 | 172.6 | 17.3 | 0 | 0 | 112.2 | D305 T311 T312 Q313 | D305-Q309 WeakPolarHBondContact O-CB 3.32Å; D305-Q309 VanDerWaalsContact O-CG 3.27Å; D305-Q309 WeakPolarHBondContact O-CG 3.33Å; D305-Q309 PolarHBondContact O-N 2.83Å; Q309-T311 VanDerWaalsContact C-N 3.35Å; Q309-T311 PolarHBondContact O-N 3.44Å; Q309-T312 PolarHBondContact O-N 3.34Å; Q309-Q313 WeakPolarHBondContact O-CB 3.36Å; Q309-Q313 PolarHBondContact O-N 2.84Å |
| 310 | Q | 98.1 | Very high | 98.1 | Very high | 128 Ų | 128 | 93.1 Ų | 93.1 | 60% | 0.598 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -57.3 | -46.6 | 175.3 | -177.2 | -178.7 | 37.1 | 0 | 0 | 111.8 | A306 L308 Q313 L314 | A306-Q310 WeakPolarHBondContact O-CB 3.34Å; A306-Q310 PolarHBondContact O-N 3.03Å; L308-Q310 PolarHBondContact O-N 3.34Å; Q310-Q313 PolarHBondContact O-N 3.38Å; Q310-L314 HydrophobicContact CG-CD1 4.27Å; Q310-L314 WeakPolarHBondContact O-CG 3.41Å; Q310-L314 PolarHBondContact O-N 3.12Å |
| 311 | T | 97.5 | Very high | 98.1 | Very high | 76 Ų | 76 | 93.9 Ų | 93.9 | 47% | 0.466 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 179.3 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | K307 L308 Q309 Q313 L314 I315 | K307-T311 WeakPolarHBondContact O-CB 3.27Å; K307-T311 PolarHBondContact O-N 3.21Å; K307-T311 PolarHBondContact O-OG1 3.26Å; L308-T311 PolarHBondContact O-N 2.96Å; Q309-T311 VanDerWaalsContact C-N 3.35Å; Q309-T311 PolarHBondContact O-N 3.44Å; T311-Q313 VanDerWaalsContact C-N 3.29Å; T311-Q313 PolarHBondContact O-N 3.46Å; T311-L314 PolarHBondContact O-N 2.94Å; T311-I315 HydrophobicContact CG2-CD1 4.12Å; T311-I315 WeakPolarHBondContact O-CG1 3.35Å; T311-I315 PolarHBondContact O-N 2.85Å |
| 312 | T | 98.2 | Very high | 98.1 | Very high | 57 Ų | 57 | 94.5 Ų | 94.5 | 35% | 0.35 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.3 | -37.7 | 176.1 | -60 | 0 | 0 | 0 | 0 | 112 | L308 Q309 K316 | L308-T312 WeakPolarHBondContact O-CB 3.42Å; L308-T312 PolarHBondContact O-N 3.45Å; L308-T312 PolarHBondContact O-OG1 3.13Å; Q309-T312 PolarHBondContact O-N 3.34Å; T312-K316 HydrophobicContact CG2-CD 4.43Å; T312-K316 WeakPolarHBondContact O-CG 3.39Å; T312-K316 PolarHBondContact O-N 2.89Å; T312-K316 VanDerWaalsContact O-N 3.13Å |
| 313 | Q | 98.1 | Very high | 98 | Very high | 115 Ų | 115 | 93.4 Ų | 93.4 | 54% | 0.537 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -72.2 | -42.6 | 177.6 | -179.9 | 156.6 | -15.8 | 0 | 0 | 112.2 | Q309 Q310 T311 I315 K316 E317 | Q309-Q313 WeakPolarHBondContact O-CB 3.36Å; Q309-Q313 PolarHBondContact O-N 2.84Å; Q310-Q313 PolarHBondContact O-N 3.38Å; T311-Q313 VanDerWaalsContact C-N 3.29Å; T311-Q313 PolarHBondContact O-N 3.46Å; Q313-I315 VanDerWaalsContact C-N 3.27Å; Q313-I315 PolarHBondContact O-N 3.35Å; Q313-K316 PolarHBondContact O-N 3.35Å; Q313-E317 HydrophobicContact CG-CG 4.26Å; Q313-E317 VanDerWaalsContact CG-OE1 3.24Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.44Å; Q313-E317 PolarHBondContact NE2-OE1 3.33Å; Q313-E317 WeakPolarHBondContact O-CB 3.44Å; Q313-E317 WeakPolarHBondContact O-CG 3.37Å; Q313-E317 PolarHBondContact O-N 2.86Å |
| 314 | L | 98 | Very high | 98 | Very high | 103 Ų | 103 | 95.3 Ų | 95.3 | 54% | 0.539 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.4 | -36.5 | 174.7 | -72.6 | 171.1 | 0 | 0 | 0 | 112.6 | Q310 T311 A318 | Q310-L314 HydrophobicContact CG-CD1 4.27Å; Q310-L314 WeakPolarHBondContact O-CG 3.41Å; Q310-L314 PolarHBondContact O-N 3.12Å; T311-L314 PolarHBondContact O-N 2.94Å; L314-A318 WeakPolarHBondContact O-CB 3.47Å; L314-A318 PolarHBondContact O-N 3.35Å; L314-A318 VanDerWaalsContact O-N 3.09Å |
| 315 | I | 97.9 | Very high | 98 | Very high | 92 Ų | 92 | 96 Ų | 96 | 47% | 0.472 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.1 | -52.2 | 172.9 | -69.7 | 165.7 | 0 | 0 | 0 | 110.1 | T311 Q313 E317 A318 D319 | T311-I315 HydrophobicContact CG2-CD1 4.12Å; T311-I315 WeakPolarHBondContact O-CG1 3.35Å; T311-I315 PolarHBondContact O-N 2.85Å; Q313-I315 VanDerWaalsContact C-N 3.27Å; Q313-I315 PolarHBondContact O-N 3.35Å; I315-E317 VanDerWaalsContact C-N 3.34Å; I315-E317 PolarHBondContact O-N 3.09Å; I315-A318 WeakPolarHBondContact O-CB 3.39Å; I315-A318 PolarHBondContact O-N 2.99Å; I315-A318 VanDerWaalsContact O-N 3.12Å; I315-D319 WeakPolarHBondContact CG2-OD2 3.24Å; I315-D319 PolarHBondContact O-N 2.86Å |
| 316 | K | 98.1 | Very high | 97.9 | Very high | 125 Ų | 125 | 101.2 Ų | 101.2 | 54% | 0.543 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.9 | -42.9 | 177.7 | -72.7 | 173 | 179.1 | -179.1 | 0 | 113.1 | T312 Q313 A318 D319 E320 | T312-K316 HydrophobicContact CG2-CD 4.43Å; T312-K316 WeakPolarHBondContact O-CG 3.39Å; T312-K316 PolarHBondContact O-N 2.89Å; T312-K316 VanDerWaalsContact O-N 3.13Å; Q313-K316 PolarHBondContact O-N 3.35Å; K316-A318 VanDerWaalsContact C-N 3.3Å; K316-A318 PolarHBondContact O-N 3.31Å; K316-D319 PolarHBondContact O-N 3.18Å; K316-E320 WeakPolarHBondContact O-CB 3.42Å; K316-E320 WeakPolarHBondContact O-CG 3.39Å; K316-E320 PolarHBondContact O-N 3.18Å |
| 317 | E | 97.8 | Very high | 97.9 | Very high | 93 Ų | 93 | 103.8 Ų | 103.8 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.7 | -35.1 | 178.2 | -73.5 | 174.4 | -169.7 | 0 | 0 | 112.1 | Q313 I315 K321 | Q313-E317 HydrophobicContact CG-CG 4.26Å; Q313-E317 VanDerWaalsContact CG-OE1 3.24Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.44Å; Q313-E317 PolarHBondContact NE2-OE1 3.33Å; Q313-E317 WeakPolarHBondContact O-CB 3.44Å; Q313-E317 WeakPolarHBondContact O-CG 3.37Å; Q313-E317 PolarHBondContact O-N 2.86Å; I315-E317 VanDerWaalsContact C-N 3.34Å; I315-E317 PolarHBondContact O-N 3.09Å; E317-K321 VanDerWaalsContact O-CB 3.27Å; E317-K321 WeakPolarHBondContact O-CB 3.24Å; E317-K321 PolarHBondContact O-N 3.44Å; E317-K321 VanDerWaalsContact O-N 3.14Å |
| 318 | A | 97.8 | Very high | 97.9 | Very high | 38 Ų | 38 | 104.3 Ų | 104.3 | 31% | 0.314 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.5 | -44.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L314 I315 K316 K321 H322 | L314-A318 WeakPolarHBondContact O-CB 3.47Å; L314-A318 PolarHBondContact O-N 3.35Å; L314-A318 VanDerWaalsContact O-N 3.09Å; I315-A318 WeakPolarHBondContact O-CB 3.39Å; I315-A318 PolarHBondContact O-N 2.99Å; I315-A318 VanDerWaalsContact O-N 3.12Å; K316-A318 VanDerWaalsContact C-N 3.3Å; K316-A318 PolarHBondContact O-N 3.31Å; A318-K321 WeakPolarHBondContact O-CB 3.49Å; A318-K321 PolarHBondContact O-N 3.38Å; A318-H322 VanDerWaalsContact O-CG 3.27Å; A318-H322 PolarHBondContact O-N 2.86Å; A318-H322 PolarHBondContact O-ND1 3.34Å |
| 319 | D | 97.4 | Very high | 97.9 | Very high | 91 Ų | 91 | 104.4 Ų | 104.4 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -45.3 | 179.4 | -69 | -27.6 | 0 | 0 | 0 | 111.8 | I315 K316 K321 H322 Q323 | I315-D319 WeakPolarHBondContact CG2-OD2 3.24Å; I315-D319 PolarHBondContact O-N 2.86Å; K316-D319 PolarHBondContact O-N 3.18Å; D319-K321 VanDerWaalsContact C-N 3.27Å; D319-K321 PolarHBondContact O-N 2.79Å; D319-H322 PolarHBondContact O-N 2.75Å; D319-Q323 WeakPolarHBondContact O-CB 3.34Å; D319-Q323 PolarHBondContact O-N 3.18Å |
| 320 | E | 97.8 | Very high | 97.9 | Very high | 109 Ų | 109 | 103.1 Ų | 103.1 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 172 | -72.2 | -175.2 | -152.6 | 0 | 0 | 111.6 | K316 Q323 R324 | K316-E320 WeakPolarHBondContact O-CB 3.42Å; K316-E320 WeakPolarHBondContact O-CG 3.39Å; K316-E320 PolarHBondContact O-N 3.18Å; E320-Q323 PolarHBondContact O-N 2.85Å; E320-R324 WeakPolarHBondContact O-CB 3.42Å; E320-R324 WeakPolarHBondContact O-CG 3.42Å; E320-R324 PolarHBondContact O-N 2.92Å; E320-R324 PolarHBondContact O-NE 2.84Å; E320-R324 IonicContact OE2-CZ 2.65Å; E320-R324 IonicContact OE2-NH2 2.96Å; E320-R324 PolarHBondContact OE2-NH2 3.49Å |
| 321 | K | 97.8 | Very high | 97.9 | Very high | 105 Ų | 105 | 103 Ų | 103 | 46% | 0.457 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.3 | -50 | 175.2 | -178.7 | -170 | 162.9 | -169 | 0 | 111 | E317 A318 D319 Q323 R324 E325 | E317-K321 VanDerWaalsContact O-CB 3.27Å; E317-K321 WeakPolarHBondContact O-CB 3.24Å; E317-K321 PolarHBondContact O-N 3.44Å; E317-K321 VanDerWaalsContact O-N 3.14Å; A318-K321 WeakPolarHBondContact O-CB 3.49Å; A318-K321 PolarHBondContact O-N 3.38Å; D319-K321 VanDerWaalsContact C-N 3.27Å; D319-K321 PolarHBondContact O-N 2.79Å; K321-Q323 VanDerWaalsContact C-N 3.28Å; K321-Q323 PolarHBondContact O-N 3.48Å; K321-R324 PolarHBondContact O-N 3.38Å; K321-E325 WeakPolarHBondContact CE-OE1 3.2Å; K321-E325 IonicContact NZ-OE1 2.67Å; K321-E325 WeakPolarHBondContact O-CG 3.2Å; K321-E325 PolarHBondContact O-N 2.93Å |
| 322 | H | 97.9 | Very high | 97.9 | Very high | 111 Ų | 111 | 104.6 Ų | 104.6 | 51% | 0.514 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60 | -39 | 177.2 | -65.1 | 143.2 | 0 | 0 | 0 | 111.8 | A318 D319 E325 R326 | A318-H322 VanDerWaalsContact O-CG 3.27Å; A318-H322 PolarHBondContact O-N 2.86Å; A318-H322 PolarHBondContact O-ND1 3.34Å; D319-H322 PolarHBondContact O-N 2.75Å; H322-E325 PolarHBondContact O-N 2.89Å; H322-R326 WeakPolarHBondContact O-CB 3.27Å; H322-R326 PolarHBondContact O-N 2.91Å |
| 323 | Q | 97.9 | Very high | 97.9 | Very high | 74 Ų | 74 | 104.5 Ų | 104.5 | 35% | 0.346 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.1 | -43 | 176.5 | -177.5 | 60.4 | 21.3 | 0 | 0 | 111.8 | D319 E320 K321 E325 R326 E327 | D319-Q323 WeakPolarHBondContact O-CB 3.34Å; D319-Q323 PolarHBondContact O-N 3.18Å; E320-Q323 PolarHBondContact O-N 2.85Å; K321-Q323 VanDerWaalsContact C-N 3.28Å; K321-Q323 PolarHBondContact O-N 3.48Å; Q323-E325 PolarHBondContact O-N 3.43Å; Q323-R326 PolarHBondContact O-N 3.47Å; Q323-E327 PolarHBondContact NE2-OE1 3.24Å; Q323-E327 WeakPolarHBondContact O-CB 3.44Å; Q323-E327 WeakPolarHBondContact O-CG 3.4Å; Q323-E327 PolarHBondContact O-N 2.69Å |
| 324 | R | 97.8 | Very high | 97.8 | Very high | 134 Ų | 134 | 101.8 Ų | 101.8 | 51% | 0.506 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.4 | -41 | 173.3 | -71.5 | 177.7 | -126.4 | 120.1 | -11.4 | 112.1 | E320 K321 F328 | E320-R324 WeakPolarHBondContact O-CB 3.42Å; E320-R324 WeakPolarHBondContact O-CG 3.42Å; E320-R324 PolarHBondContact O-N 2.92Å; E320-R324 PolarHBondContact O-NE 2.84Å; E320-R324 IonicContact OE2-CZ 2.65Å; E320-R324 IonicContact OE2-NH2 2.96Å; E320-R324 PolarHBondContact OE2-NH2 3.49Å; K321-R324 PolarHBondContact O-N 3.38Å; R324-F328 WeakPolarHBondContact O-CB 3.36Å; R324-F328 PolarHBondContact O-N 2.65Å |
| 325 | E | 97.3 | Very high | 97.8 | Very high | 88 Ų | 88 | 100.7 Ų | 100.7 | 41% | 0.411 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.1 | -41.9 | 175.9 | -73 | 174.9 | 167.5 | 0 | 0 | 112 | K321 H322 Q323 F328 L329 | K321-E325 WeakPolarHBondContact CE-OE1 3.2Å; K321-E325 IonicContact NZ-OE1 2.67Å; K321-E325 WeakPolarHBondContact O-CG 3.2Å; K321-E325 PolarHBondContact O-N 2.93Å; H322-E325 PolarHBondContact O-N 2.89Å; Q323-E325 PolarHBondContact O-N 3.43Å; E325-F328 PolarHBondContact O-N 2.69Å; E325-L329 WeakPolarHBondContact O-CG 3.21Å; E325-L329 PolarHBondContact O-N 3.37Å |
| 326 | R | 98.2 | Very high | 97.8 | Very high | 168 Ų | 168 | 99.2 Ų | 99.2 | 63% | 0.634 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61 | -44.8 | 174.3 | 179.3 | -169.5 | -176.9 | -169 | 6.5 | 112.1 | H322 Q323 L330 | H322-R326 WeakPolarHBondContact O-CB 3.27Å; H322-R326 PolarHBondContact O-N 2.91Å; Q323-R326 PolarHBondContact O-N 3.47Å; R326-L330 VanDerWaalsContact O-CB 3.24Å; R326-L330 WeakPolarHBondContact O-CB 3.26Å; R326-L330 PolarHBondContact O-N 3.14Å |
| 327 | E | 97.6 | Very high | 97.7 | Very high | 107 Ų | 107 | 101.5 Ų | 101.5 | 50% | 0.5 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 176.9 | -75.9 | 173.1 | -166.9 | 0 | 0 | 112 | Q323 L330 K331 | Q323-E327 PolarHBondContact NE2-OE1 3.24Å; Q323-E327 WeakPolarHBondContact O-CB 3.44Å; Q323-E327 WeakPolarHBondContact O-CG 3.4Å; Q323-E327 PolarHBondContact O-N 2.69Å; E327-L330 PolarHBondContact O-N 2.92Å; E327-K331 WeakPolarHBondContact O-CB 3.42Å; E327-K331 PolarHBondContact O-N 3.49Å |
| 328 | F | 98 | Very high | 97.7 | Very high | 132 Ų | 132 | 102.7 Ų | 102.7 | 58% | 0.579 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.3 | -51.7 | 174.3 | 179.6 | -87.1 | 0 | 0 | 0 | 111.8 | R324 E325 L330 K331 E332 | R324-F328 WeakPolarHBondContact O-CB 3.36Å; R324-F328 PolarHBondContact O-N 2.65Å; E325-F328 PolarHBondContact O-N 2.69Å; F328-L330 VanDerWaalsContact C-N 3.35Å; F328-L330 PolarHBondContact O-N 3.44Å; F328-K331 WeakPolarHBondContact O-CB 2.83Å; F328-K331 PolarHBondContact O-N 3.14Å; F328-E332 PolarHBondContact O-N 3.11Å |
| 329 | L | 98.1 | Very high | 97.7 | Very high | 108 Ų | 108 | 106.3 Ų | 106.3 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.3 | -38.2 | 179.9 | -70.5 | 171.5 | 0 | 0 | 0 | 112.1 | E325 E332 A333 | E325-L329 WeakPolarHBondContact O-CG 3.21Å; E325-L329 PolarHBondContact O-N 3.37Å; L329-E332 PolarHBondContact O-N 3.5Å; L329-A333 VanDerWaalsContact O-CB 3.26Å; L329-A333 WeakPolarHBondContact O-CB 3.43Å; L329-A333 PolarHBondContact O-N 3.18Å |
| 330 | L | 98.2 | Very high | 97.7 | Very high | 111 Ų | 111 | 109.1 Ų | 109.1 | 58% | 0.581 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.2 | -42 | 174 | 179.7 | 60.9 | 0 | 0 | 0 | 111.4 | R326 E327 F328 A333 T334 | R326-L330 VanDerWaalsContact O-CB 3.24Å; R326-L330 WeakPolarHBondContact O-CB 3.26Å; R326-L330 PolarHBondContact O-N 3.14Å; E327-L330 PolarHBondContact O-N 2.92Å; F328-L330 VanDerWaalsContact C-N 3.35Å; F328-L330 PolarHBondContact O-N 3.44Å; L330-A333 PolarHBondContact O-N 3.37Å; L330-T334 HydrophobicContact CD1-CG2 4.4Å; L330-T334 WeakPolarHBondContact O-CG2 3.34Å; L330-T334 PolarHBondContact O-N 3.21Å; L330-T334 PolarHBondContact O-OG1 2.9Å |
| 331 | K | 97.9 | Very high | 97.7 | Very high | 125 Ų | 125 | 107.1 Ų | 107.1 | 54% | 0.543 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.3 | -50.5 | 175.1 | -178.3 | 178.7 | 172.6 | -178.1 | 0 | 111.2 | E327 F328 A333 T334 E335 | E327-K331 WeakPolarHBondContact O-CB 3.42Å; E327-K331 PolarHBondContact O-N 3.49Å; F328-K331 WeakPolarHBondContact O-CB 2.83Å; F328-K331 PolarHBondContact O-N 3.14Å; K331-A333 VanDerWaalsContact C-N 3.32Å; K331-A333 PolarHBondContact O-N 3.01Å; K331-T334 PolarHBondContact O-N 3.13Å; K331-T334 VanDerWaalsContact O-N 3.13Å; K331-T334 PolarHBondContact O-OG1 2.93Å; K331-E335 WeakPolarHBondContact CE-OE1 3.45Å; K331-E335 PolarHBondContact O-N 3.45Å |
| 332 | E | 97.9 | Very high | 97.7 | Very high | 111 Ų | 111 | 106.3 Ų | 106.3 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.2 | -40.8 | 178.5 | -175.8 | 169.4 | -147.3 | 0 | 0 | 112.3 | F328 L329 E335 S336 | F328-E332 PolarHBondContact O-N 3.11Å; L329-E332 PolarHBondContact O-N 3.5Å; E332-E335 PolarHBondContact O-N 2.96Å; E332-S336 WeakPolarHBondContact O-CB 3.33Å; E332-S336 PolarHBondContact O-N 2.92Å; E332-S336 PolarHBondContact O-OG 2.91Å |
| 333 | A | 97.4 | Very high | 97.7 | Very high | 55 Ų | 55 | 106.6 Ų | 106.6 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L329 L330 K331 S336 R337 | L329-A333 VanDerWaalsContact O-CB 3.26Å; L329-A333 WeakPolarHBondContact O-CB 3.43Å; L329-A333 PolarHBondContact O-N 3.18Å; L330-A333 PolarHBondContact O-N 3.37Å; K331-A333 VanDerWaalsContact C-N 3.32Å; K331-A333 PolarHBondContact O-N 3.01Å; A333-S336 WeakPolarHBondContact CA-OG 3.45Å; A333-S336 PolarHBondContact O-OG 2.99Å; A333-R337 WeakPolarHBondContact O-CB 3.38Å; A333-R337 PolarHBondContact O-N 2.91Å; A333-R337 VanDerWaalsContact O-N 3.11Å |
| 334 | T | 97.7 | Very high | 97.7 | Very high | 57 Ų | 57 | 106.8 Ų | 106.8 | 35% | 0.35 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -74 | -38 | 176.7 | 57.8 | 0 | 0 | 0 | 0 | 112.6 | L330 K331 H338 | L330-T334 HydrophobicContact CD1-CG2 4.4Å; L330-T334 WeakPolarHBondContact O-CG2 3.34Å; L330-T334 PolarHBondContact O-N 3.21Å; L330-T334 PolarHBondContact O-OG1 2.9Å; K331-T334 PolarHBondContact O-N 3.13Å; K331-T334 VanDerWaalsContact O-N 3.13Å; K331-T334 PolarHBondContact O-OG1 2.93Å; T334-H338 WeakPolarHBondContact O-CB 3.47Å; T334-H338 PolarHBondContact O-N 2.97Å |
| 335 | E | 97.7 | Very high | 97.7 | Very high | 81 Ų | 81 | 105.4 Ų | 105.4 | 38% | 0.379 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.6 | -45.8 | 175.1 | -76.5 | -168.8 | -153.9 | 0 | 0 | 112.7 | K331 E332 H338 K339 | K331-E335 WeakPolarHBondContact CE-OE1 3.45Å; K331-E335 PolarHBondContact O-N 3.45Å; E332-E335 PolarHBondContact O-N 2.96Å; E335-H338 PolarHBondContact O-N 3.46Å; E335-K339 WeakPolarHBondContact O-CD 3.32Å; E335-K339 VanDerWaalsContact O-CG 3.29Å; E335-K339 WeakPolarHBondContact O-CG 3.37Å; E335-K339 PolarHBondContact O-N 3Å; E335-K339 IonicContact OE2-NZ 3.17Å; E335-K339 PolarHBondContact OE2-NZ 3.34Å |
| 336 | S | 96.7 | Very high | 97.7 | Very high | 61 Ų | 61 | 105.7 Ų | 105.7 | 43% | 0.427 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 177.1 | 53.1 | 0 | 0 | 0 | 0 | 111.6 | E332 A333 H338 K339 Y340 | E332-S336 WeakPolarHBondContact O-CB 3.33Å; E332-S336 PolarHBondContact O-N 2.92Å; E332-S336 PolarHBondContact O-OG 2.91Å; A333-S336 WeakPolarHBondContact CA-OG 3.45Å; A333-S336 PolarHBondContact O-OG 2.99Å; S336-H338 VanDerWaalsContact C-N 3.32Å; S336-H338 PolarHBondContact O-N 3.42Å; S336-K339 PolarHBondContact O-N 2.89Å; S336-Y340 WeakPolarHBondContact O-CB 3.42Å; S336-Y340 PolarHBondContact O-N 2.73Å |
| 337 | R | 97.4 | Very high | 97.7 | Very high | 173 Ų | 173 | 102.2 Ų | 102.2 | 65% | 0.653 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.5 | -41 | 170.4 | -176.7 | -176.9 | 67.5 | 170.5 | 0.1 | 112.4 | A333 Y340 E341 | A333-R337 WeakPolarHBondContact O-CB 3.38Å; A333-R337 PolarHBondContact O-N 2.91Å; A333-R337 VanDerWaalsContact O-N 3.11Å; R337-Y340 PolarHBondContact O-N 3.49Å; R337-E341 PolarHBondContact O-N 3.26Å |
| 338 | H | 98 | Very high | 97.7 | Very high | 117 Ų | 117 | 100.6 Ų | 100.6 | 54% | 0.542 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.7 | -44.4 | 178 | -171.7 | 60 | 0 | 0 | 0 | 111.9 | T334 E335 S336 Y340 E341 Q342 | T334-H338 WeakPolarHBondContact O-CB 3.47Å; T334-H338 PolarHBondContact O-N 2.97Å; E335-H338 PolarHBondContact O-N 3.46Å; S336-H338 VanDerWaalsContact C-N 3.32Å; S336-H338 PolarHBondContact O-N 3.42Å; H338-Y340 VanDerWaalsContact C-N 3.33Å; H338-Y340 PolarHBondContact O-N 3.43Å; H338-E341 PolarHBondContact O-N 3.01Å; H338-Q342 PolarHBondContact CD2-NE2 3.19Å; H338-Q342 VanDerWaalsContact CD2-NE2 3.28Å; H338-Q342 PolarHBondContact NE2-NE2 2.95Å; H338-Q342 WeakPolarHBondContact O-CG 3.3Å; H338-Q342 PolarHBondContact O-N 3.44Å |
| 339 | K | 97.6 | Very high | 97.6 | Very high | 114 Ų | 114 | 100 Ų | 100 | 50% | 0.496 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.3 | -43.1 | 173.6 | -68.2 | 159.3 | -169.1 | 161.1 | 0 | 111.2 | E335 S336 Q342 M343 | E335-K339 WeakPolarHBondContact O-CD 3.32Å; E335-K339 VanDerWaalsContact O-CG 3.29Å; E335-K339 WeakPolarHBondContact O-CG 3.37Å; E335-K339 PolarHBondContact O-N 3Å; E335-K339 IonicContact OE2-NZ 3.17Å; E335-K339 PolarHBondContact OE2-NZ 3.34Å; S336-K339 PolarHBondContact O-N 2.89Å; K339-Q342 PolarHBondContact O-N 3.47Å; K339-M343 WeakPolarHBondContact O-CG 3.31Å; K339-M343 PolarHBondContact O-N 2.94Å |
| 340 | Y | 97.3 | Very high | 97.6 | Very high | 150 Ų | 150 | 99.6 Ų | 99.6 | 59% | 0.588 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.3 | -47 | 174.9 | 174 | -98 | 0 | 0 | 0 | 112.6 | S336 R337 H338 Q342 M343 K344 | S336-Y340 WeakPolarHBondContact O-CB 3.42Å; S336-Y340 PolarHBondContact O-N 2.73Å; R337-Y340 PolarHBondContact O-N 3.49Å; H338-Y340 VanDerWaalsContact C-N 3.33Å; H338-Y340 PolarHBondContact O-N 3.43Å; Y340-Q342 VanDerWaalsContact C-N 3.33Å; Y340-Q342 PolarHBondContact O-N 2.91Å; Y340-M343 PolarHBondContact O-N 3Å; Y340-K344 HydrophobicContact CE1-CD 3.78Å; Y340-K344 WeakPolarHBondContact O-CB 3.37Å; Y340-K344 PolarHBondContact O-N 3.45Å |
| 341 | E | 97.6 | Very high | 97.6 | Very high | 68 Ų | 68 | 100.2 Ų | 100.2 | 32% | 0.318 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.9 | -33.8 | -179.2 | -167.3 | 59.1 | -141.8 | 0 | 0 | 112.1 | R337 H338 K344 Q345 | R337-E341 PolarHBondContact O-N 3.26Å; H338-E341 PolarHBondContact O-N 3.01Å; E341-K344 PolarHBondContact O-N 3.22Å; E341-K344 IonicContact OE1-NZ 2.59Å; E341-K344 PolarHBondContact OE1-NZ 2.6Å; E341-K344 IonicContact OE2-NZ 3.51Å; E341-K344 PolarHBondContact OE2-NZ 2.93Å; E341-Q345 VanDerWaalsContact O-CG 3.3Å; E341-Q345 WeakPolarHBondContact O-CG 3.48Å; E341-Q345 PolarHBondContact O-N 2.89Å |
| 342 | Q | 97.8 | Very high | 97.6 | Very high | 87 Ų | 87 | 100.2 Ų | 100.2 | 41% | 0.407 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.9 | -49.1 | 169.5 | -70.3 | -179.6 | 11 | 0 | 0 | 112 | H338 K339 Y340 K344 Q345 Q346 | H338-Q342 PolarHBondContact CD2-NE2 3.19Å; H338-Q342 VanDerWaalsContact CD2-NE2 3.28Å; H338-Q342 PolarHBondContact NE2-NE2 2.95Å; H338-Q342 WeakPolarHBondContact O-CG 3.3Å; H338-Q342 PolarHBondContact O-N 3.44Å; K339-Q342 PolarHBondContact O-N 3.47Å; Y340-Q342 VanDerWaalsContact C-N 3.33Å; Y340-Q342 PolarHBondContact O-N 2.91Å; Q342-K344 VanDerWaalsContact C-N 3.3Å; Q342-K344 PolarHBondContact O-N 3.28Å; Q342-Q345 WeakPolarHBondContact O-CB 3.29Å; Q342-Q345 PolarHBondContact O-N 3.28Å; Q342-Q345 VanDerWaalsContact O-N 3.16Å; Q342-Q346 WeakPolarHBondContact O-CG 3.06Å; Q342-Q346 PolarHBondContact O-N 3.35Å |
| 343 | M | 97.1 | Very high | 97.5 | Very high | 118 Ų | 118 | 99.4 Ų | 99.4 | 58% | 0.581 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.9 | -39.4 | 177.9 | -71 | -59.6 | -58.8 | 0 | 0 | 112 | K339 Y340 Q346 E347 | K339-M343 WeakPolarHBondContact O-CG 3.31Å; K339-M343 PolarHBondContact O-N 2.94Å; Y340-M343 PolarHBondContact O-N 3Å; M343-Q346 WeakPolarHBondContact O-CB 3.48Å; M343-Q346 PolarHBondContact O-N 3.02Å; M343-E347 WeakPolarHBondContact O-CB 3.3Å; M343-E347 PolarHBondContact O-N 3.22Å |
| 344 | K | 97.8 | Very high | 97.4 | Very high | 77 Ų | 77 | 102.7 Ų | 102.7 | 34% | 0.335 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 175 | 170.5 | 165 | 159.8 | -90.6 | 0 | 112.6 | Y340 E341 Q342 V348 | Y340-K344 HydrophobicContact CE1-CD 3.78Å; Y340-K344 WeakPolarHBondContact O-CB 3.37Å; Y340-K344 PolarHBondContact O-N 3.45Å; E341-K344 PolarHBondContact O-N 3.22Å; E341-K344 IonicContact OE1-NZ 2.59Å; E341-K344 PolarHBondContact OE1-NZ 2.6Å; E341-K344 IonicContact OE2-NZ 3.51Å; E341-K344 PolarHBondContact OE2-NZ 2.93Å; Q342-K344 VanDerWaalsContact C-N 3.3Å; Q342-K344 PolarHBondContact O-N 3.28Å; K344-V348 WeakPolarHBondContact O-CG2 3.5Å; K344-V348 PolarHBondContact O-N 3.13Å; K344-V348 VanDerWaalsContact O-N 3.13Å |
| 345 | Q | 97.9 | Very high | 97.4 | Very high | 106 Ų | 106 | 102.4 Ų | 102.4 | 50% | 0.495 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 171.5 | -72 | 170.4 | 17.8 | 0 | 0 | 111.9 | E341 Q342 V348 Q349 | E341-Q345 VanDerWaalsContact O-CG 3.3Å; E341-Q345 WeakPolarHBondContact O-CG 3.48Å; E341-Q345 PolarHBondContact O-N 2.89Å; Q342-Q345 WeakPolarHBondContact O-CB 3.29Å; Q342-Q345 PolarHBondContact O-N 3.28Å; Q342-Q345 VanDerWaalsContact O-N 3.16Å; Q345-V348 PolarHBondContact O-N 3.5Å; Q345-Q349 WeakPolarHBondContact O-CG 3.31Å; Q345-Q349 PolarHBondContact O-N 3.26Å |
| 346 | Q | 97.6 | Very high | 97.4 | Very high | 93 Ų | 93 | 102.5 Ų | 102.5 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 173.9 | -67 | 176.1 | 8.9 | 0 | 0 | 111.9 | Q342 M343 V348 Q349 L350 | Q342-Q346 WeakPolarHBondContact O-CG 3.06Å; Q342-Q346 PolarHBondContact O-N 3.35Å; M343-Q346 WeakPolarHBondContact O-CB 3.48Å; M343-Q346 PolarHBondContact O-N 3.02Å; Q346-V348 VanDerWaalsContact C-N 3.33Å; Q346-V348 PolarHBondContact O-N 2.94Å; Q346-Q349 PolarHBondContact O-N 3.01Å; Q346-L350 WeakPolarHBondContact O-CB 3.37Å; Q346-L350 WeakPolarHBondContact O-CG 3.5Å; Q346-L350 PolarHBondContact O-N 3.16Å |
| 347 | E | 97.2 | Very high | 97.4 | Very high | 96 Ų | 96 | 106.2 Ų | 106.2 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59 | -43 | 175.3 | -167.7 | -160.1 | 148.2 | 0 | 0 | 111.6 | M343 L350 K351 | M343-E347 WeakPolarHBondContact O-CB 3.3Å; M343-E347 PolarHBondContact O-N 3.22Å; E347-L350 PolarHBondContact O-N 3.33Å; E347-K351 HydrophobicContact CG-CD 4.35Å; E347-K351 WeakPolarHBondContact O-CB 3.49Å; E347-K351 VanDerWaalsContact O-CG 3.31Å; E347-K351 WeakPolarHBondContact O-CG 3.49Å; E347-K351 PolarHBondContact O-N 3.43Å; E347-K351 VanDerWaalsContact OE1-CE 3.31Å; E347-K351 WeakPolarHBondContact OE1-CE 3.39Å; E347-K351 IonicContact OE1-NZ 3.44Å; E347-K351 PolarHBondContact OE1-NZ 3.05Å |
| 348 | V | 97.8 | Very high | 97.4 | Very high | 72 Ų | 72 | 102.9 Ų | 102.9 | 44% | 0.436 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 175.2 | 169.7 | 0 | 0 | 0 | 0 | 111.5 | K344 Q345 Q346 K351 Q352 | K344-V348 WeakPolarHBondContact O-CG2 3.5Å; K344-V348 PolarHBondContact O-N 3.13Å; K344-V348 VanDerWaalsContact O-N 3.13Å; Q345-V348 PolarHBondContact O-N 3.5Å; Q346-V348 VanDerWaalsContact C-N 3.33Å; Q346-V348 PolarHBondContact O-N 2.94Å; V348-K351 PolarHBondContact O-N 2.85Å; V348-Q352 VanDerWaalsContact O-CG 3.3Å; V348-Q352 WeakPolarHBondContact O-CG 3.43Å; V348-Q352 PolarHBondContact O-N 2.8Å |
| 349 | Q | 97.7 | Very high | 97.3 | Very high | 119 Ų | 119 | 101 Ų | 101 | 56% | 0.556 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.8 | -44.4 | 176.7 | -71.3 | 170.8 | -1.2 | 0 | 0 | 112 | Q345 Q346 K351 Q352 Q353 | Q345-Q349 WeakPolarHBondContact O-CG 3.31Å; Q345-Q349 PolarHBondContact O-N 3.26Å; Q346-Q349 PolarHBondContact O-N 3.01Å; Q349-K351 PolarHBondContact O-N 3.39Å; Q349-Q352 WeakPolarHBondContact O-CB 3.42Å; Q349-Q352 PolarHBondContact O-N 2.97Å; Q349-Q353 PolarHBondContact O-N 3.36Å |
| 350 | L | 97.5 | Very high | 97.3 | Very high | 101 Ų | 101 | 100.2 Ų | 100.2 | 53% | 0.529 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.5 | -37.6 | 176.7 | -70.9 | 171.1 | 0 | 0 | 0 | 111.9 | Q346 E347 Q353 L354 | Q346-L350 WeakPolarHBondContact O-CB 3.37Å; Q346-L350 WeakPolarHBondContact O-CG 3.5Å; Q346-L350 PolarHBondContact O-N 3.16Å; E347-L350 PolarHBondContact O-N 3.33Å; L350-Q353 PolarHBondContact O-N 2.94Å; L350-L354 WeakPolarHBondContact O-CB 3.37Å; L350-L354 PolarHBondContact O-N 3.36Å |
| 351 | K | 97.3 | Very high | 97.2 | Very high | 123 Ų | 123 | 99 Ų | 99 | 54% | 0.535 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 172.7 | -79.3 | 172.8 | 169.6 | 176.1 | 0 | 112.5 | E347 V348 Q349 L354 S355 | E347-K351 HydrophobicContact CG-CD 4.35Å; E347-K351 WeakPolarHBondContact O-CB 3.49Å; E347-K351 VanDerWaalsContact O-CG 3.31Å; E347-K351 WeakPolarHBondContact O-CG 3.49Å; E347-K351 PolarHBondContact O-N 3.43Å; E347-K351 VanDerWaalsContact OE1-CE 3.31Å; E347-K351 WeakPolarHBondContact OE1-CE 3.39Å; E347-K351 IonicContact OE1-NZ 3.44Å; E347-K351 PolarHBondContact OE1-NZ 3.05Å; V348-K351 PolarHBondContact O-N 2.85Å; Q349-K351 PolarHBondContact O-N 3.39Å; K351-L354 PolarHBondContact O-N 2.96Å; K351-S355 PolarHBondContact O-N 3.4Å |
| 352 | Q | 97.6 | Very high | 97.1 | Very high | 125 Ų | 125 | 101.3 Ų | 101.3 | 58% | 0.584 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.8 | -42.1 | 173.2 | -72.8 | 168.7 | -6.5 | 0 | 0 | 111.5 | V348 Q349 S355 L356 | V348-Q352 VanDerWaalsContact O-CG 3.3Å; V348-Q352 WeakPolarHBondContact O-CG 3.43Å; V348-Q352 PolarHBondContact O-N 2.8Å; Q349-Q352 WeakPolarHBondContact O-CB 3.42Å; Q349-Q352 PolarHBondContact O-N 2.97Å; Q352-S355 PolarHBondContact O-N 2.88Å; Q352-L356 WeakPolarHBondContact O-CB 3.47Å; Q352-L356 PolarHBondContact O-N 2.92Å |
| 353 | Q | 96.9 | Very high | 97 | Very high | 95 Ų | 95 | 103.3 Ų | 103.3 | 44% | 0.444 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 175.6 | -169.2 | -177.8 | 15.9 | 0 | 0 | 112 | Q349 L350 L356 Y357 | Q349-Q353 PolarHBondContact O-N 3.36Å; L350-Q353 PolarHBondContact O-N 2.94Å; Q353-L356 PolarHBondContact O-N 3.5Å; Q353-Y357 HydrophobicContact CG-CD2 3.95Å; Q353-Y357 HydrophobicContact CG-CE2 3.63Å; Q353-Y357 WeakPolarHBondContact O-CD2 3.22Å; Q353-Y357 PolarHBondContact O-N 3.18Å |
| 354 | L | 96.1 | Very high | 96.9 | Very high | 123 Ų | 123 | 104.9 Ų | 104.9 | 64% | 0.644 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.4 | -45 | 173.6 | -101 | 159.8 | 0 | 0 | 0 | 112.1 | L350 K351 Y357 M358 | L350-L354 WeakPolarHBondContact O-CB 3.37Å; L350-L354 PolarHBondContact O-N 3.36Å; K351-L354 PolarHBondContact O-N 2.96Å; L354-Y357 PolarHBondContact O-N 2.92Å; L354-M358 WeakPolarHBondContact O-CB 3.33Å; L354-M358 PolarHBondContact O-N 3.29Å |
| 355 | S | 96.9 | Very high | 96.7 | Very high | 52 Ų | 52 | 106.1 Ų | 106.1 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.8 | -50.6 | 173.5 | -162.4 | 0 | 0 | 0 | 0 | 110.6 | K351 Q352 Y357 M358 D359 | K351-S355 PolarHBondContact O-N 3.4Å; Q352-S355 PolarHBondContact O-N 2.88Å; S355-Y357 PolarHBondContact O-N 3.02Å; S355-M358 CarbonylContact O-C 3.57Å; S355-M358 WeakPolarHBondContact O-CA 3.49Å; S355-M358 WeakPolarHBondContact O-CB 3.44Å; S355-M358 PolarHBondContact O-N 3.35Å; S355-D359 PolarHBondContact O-N 2.88Å; S355-D359 VanDerWaalsContact O-OD2 3.1Å |
| 356 | L | 97.6 | Very high | 96.6 | Very high | 83 Ų | 83 | 104.3 Ų | 104.3 | 44% | 0.435 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.5 | -30.4 | -179.7 | 179.3 | 149.8 | 0 | 0 | 0 | 113.5 | Q352 Q353 K360 | Q352-L356 WeakPolarHBondContact O-CB 3.47Å; Q352-L356 PolarHBondContact O-N 2.92Å; Q353-L356 PolarHBondContact O-N 3.5Å; L356-K360 HydrophobicContact CD2-CD 4.07Å; L356-K360 WeakPolarHBondContact O-CB 3.27Å; L356-K360 WeakPolarHBondContact O-CD 3.42Å; L356-K360 VanDerWaalsContact O-CG 3.25Å; L356-K360 WeakPolarHBondContact O-CG 3.32Å; L356-K360 PolarHBondContact O-N 2.74Å |
| 357 | Y | 97.6 | Very high | 96.4 | Very high | 138 Ų | 138 | 104 Ų | 104 | 54% | 0.541 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -78.2 | -33.6 | 171.3 | -77.2 | -57.9 | 0 | 0 | 0 | 113.3 | Q353 L354 S355 F361 | Q353-Y357 HydrophobicContact CG-CD2 3.95Å; Q353-Y357 HydrophobicContact CG-CE2 3.63Å; Q353-Y357 WeakPolarHBondContact O-CD2 3.22Å; Q353-Y357 PolarHBondContact O-N 3.18Å; L354-Y357 PolarHBondContact O-N 2.92Å; S355-Y357 PolarHBondContact O-N 3.02Å; Y357-F361 WeakPolarHBondContact O-CB 3.46Å; Y357-F361 PolarHBondContact O-N 2.75Å |
| 358 | M | 96.8 | Very high | 96.3 | Very high | 104 Ų | 104 | 104.9 Ų | 104.9 | 51% | 0.512 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -49.4 | 173.2 | -173.8 | -179.8 | 74.3 | 0 | 0 | 110.7 | L354 S355 K360 F361 E362 | L354-M358 WeakPolarHBondContact O-CB 3.33Å; L354-M358 PolarHBondContact O-N 3.29Å; S355-M358 CarbonylContact O-C 3.57Å; S355-M358 WeakPolarHBondContact O-CA 3.49Å; S355-M358 WeakPolarHBondContact O-CB 3.44Å; S355-M358 PolarHBondContact O-N 3.35Å; M358-K360 VanDerWaalsContact C-N 3.33Å; M358-K360 PolarHBondContact O-N 2.89Å; M358-F361 CarbonylContact O-C 3.59Å; M358-F361 WeakPolarHBondContact O-CA 3.4Å; M358-F361 WeakPolarHBondContact O-CB 3.14Å; M358-F361 PolarHBondContact O-N 3.41Å; M358-E362 PolarHBondContact O-N 3.46Å |
| 359 | D | 96.4 | Very high | 96.1 | Very high | 78 Ų | 78 | 104.3 Ų | 104.3 | 42% | 0.417 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -55.9 | -47.8 | 177 | -54.4 | -28.5 | 0 | 0 | 0 | 110.5 | S355 F361 E362 E363 | S355-D359 PolarHBondContact O-N 2.88Å; S355-D359 VanDerWaalsContact O-OD2 3.1Å; D359-F361 VanDerWaalsContact C-N 3.33Å; D359-F361 PolarHBondContact O-N 2.9Å; D359-E362 PolarHBondContact O-N 2.83Å; D359-E363 WeakPolarHBondContact O-CG 3.49Å; D359-E363 PolarHBondContact O-N 3.4Å |
| 360 | K | 96.8 | Very high | 95.9 | Very high | 96 Ų | 96 | 104.5 Ų | 104.5 | 42% | 0.417 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -35.5 | 174.3 | -76.6 | 176.1 | -179.3 | -177.6 | 0 | 113.4 | L356 M358 E363 F364 | L356-K360 HydrophobicContact CD2-CD 4.07Å; L356-K360 WeakPolarHBondContact O-CB 3.27Å; L356-K360 WeakPolarHBondContact O-CD 3.42Å; L356-K360 VanDerWaalsContact O-CG 3.25Å; L356-K360 WeakPolarHBondContact O-CG 3.32Å; L356-K360 PolarHBondContact O-N 2.74Å; M358-K360 VanDerWaalsContact C-N 3.33Å; M358-K360 PolarHBondContact O-N 2.89Å; K360-E363 PolarHBondContact O-N 2.99Å; K360-F364 WeakPolarHBondContact O-CD2 3.18Å; K360-F364 PolarHBondContact O-N 3.45Å |
| 361 | F | 95.9 | Very high | 95.7 | Very high | 126 Ų | 126 | 101.8 Ų | 101.8 | 55% | 0.553 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.8 | -37.1 | 175.9 | -176.3 | -99.6 | 0 | 0 | 0 | 111.3 | Y357 M358 D359 F364 Q365 | Y357-F361 WeakPolarHBondContact O-CB 3.46Å; Y357-F361 PolarHBondContact O-N 2.75Å; M358-F361 CarbonylContact O-C 3.59Å; M358-F361 WeakPolarHBondContact O-CA 3.4Å; M358-F361 WeakPolarHBondContact O-CB 3.14Å; M358-F361 PolarHBondContact O-N 3.41Å; D359-F361 VanDerWaalsContact C-N 3.33Å; D359-F361 PolarHBondContact O-N 2.9Å; F361-F364 PolarHBondContact O-N 3.31Å; F361-Q365 HydrophobicContact CD1-CG 4.04Å; F361-Q365 HydrophobicContact CE1-CG 3.64Å; F361-Q365 HydrophobicContact CE2-CG 4.4Å; F361-Q365 HydrophobicContact CZ-CG 3.84Å; F361-Q365 WeakPolarHBondContact O-CB 3.25Å; F361-Q365 VanDerWaalsContact O-CG 3.29Å; F361-Q365 WeakPolarHBondContact O-CG 3.47Å; F361-Q365 PolarHBondContact O-N 3.42Å |
| 362 | E | 95.6 | Very high | 95.6 | Very high | 116 Ų | 116 | 100.3 Ų | 100.3 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.6 | -38.1 | 171.4 | -67.4 | -169 | -180 | 0 | 0 | 112.2 | M358 D359 Q365 T366 | M358-E362 PolarHBondContact O-N 3.46Å; D359-E362 PolarHBondContact O-N 2.83Å; E362-Q365 PolarHBondContact O-N 3.2Å; E362-T366 WeakPolarHBondContact O-CB 3.39Å; E362-T366 PolarHBondContact O-N 2.9Å; E362-T366 PolarHBondContact O-OG1 3.32Å |
| 363 | E | 95.1 | Very high | 95.4 | Very high | 128 Ų | 128 | 100.3 Ų | 100.3 | 60% | 0.598 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.5 | -46.1 | 170.2 | -71.9 | -178.8 | 156.2 | 0 | 0 | 112 | D359 K360 T366 T367 | D359-E363 WeakPolarHBondContact O-CG 3.49Å; D359-E363 PolarHBondContact O-N 3.4Å; K360-E363 PolarHBondContact O-N 2.99Å; E363-T366 PolarHBondContact O-N 2.96Å; E363-T367 VanDerWaalsContact O-CB 3.32Å; E363-T367 WeakPolarHBondContact O-CB 3.48Å; E363-T367 PolarHBondContact O-N 2.91Å; E363-T367 PolarHBondContact O-OG1 3.38Å |
| 364 | F | 95 | Very high | 95.3 | Very high | 151 Ų | 151 | 100.5 Ų | 100.5 | 66% | 0.662 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.6 | -45 | 176.4 | -84.7 | -60.9 | 0 | 0 | 0 | 112 | K360 F361 T367 M368 | K360-F364 WeakPolarHBondContact O-CD2 3.18Å; K360-F364 PolarHBondContact O-N 3.45Å; F361-F364 PolarHBondContact O-N 3.31Å; F364-T367 PolarHBondContact O-N 2.87Å; F364-M368 WeakPolarHBondContact O-CB 3.49Å; F364-M368 PolarHBondContact O-N 2.94Å |
| 365 | Q | 94.3 | Very high | 95.1 | Very high | 104 Ų | 104 | 101 Ų | 101 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 176.5 | -75.7 | -78.9 | 52.7 | 0 | 0 | 111.8 | F361 E362 T367 M368 A369 | F361-Q365 HydrophobicContact CD1-CG 4.04Å; F361-Q365 HydrophobicContact CE1-CG 3.64Å; F361-Q365 HydrophobicContact CE2-CG 4.4Å; F361-Q365 HydrophobicContact CZ-CG 3.84Å; F361-Q365 WeakPolarHBondContact O-CB 3.25Å; F361-Q365 VanDerWaalsContact O-CG 3.29Å; F361-Q365 WeakPolarHBondContact O-CG 3.47Å; F361-Q365 PolarHBondContact O-N 3.42Å; E362-Q365 PolarHBondContact O-N 3.2Å; Q365-T367 VanDerWaalsContact C-N 3.29Å; Q365-T367 PolarHBondContact O-N 3.4Å; Q365-M368 PolarHBondContact O-N 3.48Å; Q365-A369 WeakPolarHBondContact O-CB 3.38Å; Q365-A369 PolarHBondContact O-N 3.06Å |
| 366 | T | 94.5 | Very high | 94.9 | Very high | 68 Ų | 68 | 101.8 Ų | 101.8 | 42% | 0.417 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 174.5 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | E362 E363 K370 | E362-T366 WeakPolarHBondContact O-CB 3.39Å; E362-T366 PolarHBondContact O-N 2.9Å; E362-T366 PolarHBondContact O-OG1 3.32Å; E363-T366 PolarHBondContact O-N 2.96Å; T366-K370 HydrophobicContact CG2-CD 4.21Å; T366-K370 WeakPolarHBondContact O-CD 3.25Å; T366-K370 VanDerWaalsContact O-CG 3.27Å; T366-K370 WeakPolarHBondContact O-CG 3.33Å; T366-K370 PolarHBondContact O-N 2.83Å |
| 367 | T | 94.4 | Very high | 94.7 | Very high | 87 Ų | 87 | 100.4 Ų | 100.4 | 53% | 0.534 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.3 | -39.5 | 177.6 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | E363 F364 Q365 K370 S371 | E363-T367 VanDerWaalsContact O-CB 3.32Å; E363-T367 WeakPolarHBondContact O-CB 3.48Å; E363-T367 PolarHBondContact O-N 2.91Å; E363-T367 PolarHBondContact O-OG1 3.38Å; F364-T367 PolarHBondContact O-N 2.87Å; Q365-T367 VanDerWaalsContact C-N 3.29Å; Q365-T367 PolarHBondContact O-N 3.4Å; T367-K370 PolarHBondContact O-N 3.31Å; T367-S371 VanDerWaalsContact O-CB 3.25Å; T367-S371 WeakPolarHBondContact O-CB 3.29Å; T367-S371 PolarHBondContact O-N 3.25Å |
| 368 | M | 94.2 | Very high | 94.4 | Very high | 113 Ų | 113 | 99.8 Ų | 99.8 | 56% | 0.557 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.3 | -44.4 | 170.5 | -98.6 | -70.2 | -168.8 | 0 | 0 | 111.9 | F364 Q365 S371 N372 | F364-M368 WeakPolarHBondContact O-CB 3.49Å; F364-M368 PolarHBondContact O-N 2.94Å; Q365-M368 PolarHBondContact O-N 3.48Å; M368-S371 PolarHBondContact O-N 2.85Å; M368-N372 WeakPolarHBondContact O-CB 3.3Å; M368-N372 PolarHBondContact O-N 2.74Å; M368-N372 PolarHBondContact O-ND2 3.04Å |
| 369 | A | 93.4 | Very high | 94.3 | Very high | 60 Ų | 60 | 103 Ų | 103 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -49.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q365 S371 N372 E373 | Q365-A369 WeakPolarHBondContact O-CB 3.38Å; Q365-A369 PolarHBondContact O-N 3.06Å; A369-S371 VanDerWaalsContact C-N 3.33Å; A369-S371 PolarHBondContact O-N 3.37Å; A369-N372 PolarHBondContact O-N 2.88Å; A369-E373 WeakPolarHBondContact O-CB 3.41Å; A369-E373 PolarHBondContact O-N 3.31Å |
| 370 | K | 93.8 | Very high | 94.1 | Very high | 123 Ų | 123 | 104 Ų | 104 | 54% | 0.535 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.8 | -40.1 | 174.6 | -70.9 | 166.7 | -178 | 172.6 | 0 | 112.6 | T366 T367 E373 L374 | T366-K370 HydrophobicContact CG2-CD 4.21Å; T366-K370 WeakPolarHBondContact O-CD 3.25Å; T366-K370 VanDerWaalsContact O-CG 3.27Å; T366-K370 WeakPolarHBondContact O-CG 3.33Å; T366-K370 PolarHBondContact O-N 2.83Å; T367-K370 PolarHBondContact O-N 3.31Å; K370-E373 PolarHBondContact O-N 2.8Å; K370-L374 WeakPolarHBondContact O-CG 3.49Å; K370-L374 PolarHBondContact O-N 3.41Å |
| 371 | S | 93.8 | Very high | 93.9 | Very high | 45 Ų | 45 | 104.6 Ų | 104.6 | 32% | 0.315 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65 | -45.8 | 177.2 | -172.6 | 0 | 0 | 0 | 0 | 111.6 | T367 M368 A369 E373 L374 F375 | T367-S371 VanDerWaalsContact O-CB 3.25Å; T367-S371 WeakPolarHBondContact O-CB 3.29Å; T367-S371 PolarHBondContact O-N 3.25Å; M368-S371 PolarHBondContact O-N 2.85Å; A369-S371 VanDerWaalsContact C-N 3.33Å; A369-S371 PolarHBondContact O-N 3.37Å; S371-E373 PolarHBondContact O-N 2.9Å; S371-L374 PolarHBondContact O-N 2.84Å; S371-F375 WeakPolarHBondContact O-CD2 3.43Å; S371-F375 PolarHBondContact O-N 3.11Å |
| 372 | N | 94.2 | Very high | 93.7 | Very high | 91 Ų | 91 | 104.9 Ų | 104.9 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 174 | -76.1 | -47 | 0 | 0 | 0 | 111.9 | M368 A369 F375 T376 | M368-N372 WeakPolarHBondContact O-CB 3.3Å; M368-N372 PolarHBondContact O-N 2.74Å; M368-N372 PolarHBondContact O-ND2 3.04Å; A369-N372 PolarHBondContact O-N 2.88Å; N372-F375 PolarHBondContact O-N 3.33Å; N372-T376 WeakPolarHBondContact O-CG2 3.47Å; N372-T376 PolarHBondContact O-N 3.43Å |
| 373 | E | 93.7 | Very high | 93.5 | Very high | 125 Ų | 125 | 103.7 Ų | 103.7 | 58% | 0.584 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.8 | -50.3 | 173.4 | -173.7 | 176 | -166.1 | 0 | 0 | 110.9 | A369 K370 S371 F375 T376 T377 | A369-E373 WeakPolarHBondContact O-CB 3.41Å; A369-E373 PolarHBondContact O-N 3.31Å; K370-E373 PolarHBondContact O-N 2.8Å; S371-E373 PolarHBondContact O-N 2.9Å; E373-F375 VanDerWaalsContact C-N 3.35Å; E373-F375 PolarHBondContact O-N 3Å; E373-T376 PolarHBondContact O-N 3.04Å; E373-T376 PolarHBondContact O-OG1 3.44Å; E373-T377 PolarHBondContact O-N 3.03Å; E373-T377 PolarHBondContact O-OG1 3.28Å |
| 374 | L | 94.8 | Very high | 93.5 | Very high | 99 Ų | 99 | 103.4 Ų | 103.4 | 52% | 0.518 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.1 | -42.3 | 174.4 | -72.3 | 169.1 | 0 | 0 | 0 | 112.8 | K370 S371 T376 T377 F378 | K370-L374 WeakPolarHBondContact O-CG 3.49Å; K370-L374 PolarHBondContact O-N 3.41Å; S371-L374 PolarHBondContact O-N 2.84Å; L374-T376 VanDerWaalsContact C-N 3.32Å; L374-T376 PolarHBondContact O-N 3.41Å; L374-T377 WeakPolarHBondContact CA-OG1 3.46Å; L374-T377 PolarHBondContact O-N 2.93Å; L374-T377 PolarHBondContact O-OG1 3.48Å; L374-T377 VanDerWaalsContact O-OG1 3.04Å; L374-F378 WeakPolarHBondContact O-CB 3.43Å; L374-F378 VanDerWaalsContact O-CD2 3.22Å; L374-F378 WeakPolarHBondContact O-CD2 3.44Å; L374-F378 PolarHBondContact O-N 2.87Å |
| 375 | F | 92.6 | Very high | 93.3 | Very high | 134 Ų | 134 | 101.9 Ų | 101.9 | 59% | 0.588 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.6 | -34.7 | 174.4 | -77.6 | -61.7 | 0 | 0 | 0 | 112.7 | S371 N372 E373 R379 | S371-F375 WeakPolarHBondContact O-CD2 3.43Å; S371-F375 PolarHBondContact O-N 3.11Å; N372-F375 PolarHBondContact O-N 3.33Å; E373-F375 VanDerWaalsContact C-N 3.35Å; E373-F375 PolarHBondContact O-N 3Å; F375-R379 VanDerWaalsContact O-CB 3.3Å; F375-R379 WeakPolarHBondContact O-CB 3.4Å; F375-R379 PolarHBondContact O-N 2.92Å |
| 376 | T | 93.4 | Very high | 93.3 | Very high | 68 Ų | 68 | 99.8 Ų | 99.8 | 42% | 0.417 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.1 | -38.8 | 175 | 64.9 | 0 | 0 | 0 | 0 | 112.5 | N372 E373 L374 R379 Q380 | N372-T376 WeakPolarHBondContact O-CG2 3.47Å; N372-T376 PolarHBondContact O-N 3.43Å; E373-T376 PolarHBondContact O-N 3.04Å; E373-T376 PolarHBondContact O-OG1 3.44Å; L374-T376 VanDerWaalsContact C-N 3.32Å; L374-T376 PolarHBondContact O-N 3.41Å; T376-R379 PolarHBondContact O-N 3.39Å; T376-Q380 VanDerWaalsContact O-CG 3.3Å; T376-Q380 WeakPolarHBondContact O-CG 3.42Å; T376-Q380 PolarHBondContact O-N 2.89Å |
| 377 | T | 92.6 | Very high | 93.2 | Very high | 54 Ų | 54 | 102.5 Ų | 102.5 | 33% | 0.331 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.2 | -45.8 | 176.6 | 57.2 | 0 | 0 | 0 | 0 | 111.1 | E373 L374 R379 Q380 E381 | E373-T377 PolarHBondContact O-N 3.03Å; E373-T377 PolarHBondContact O-OG1 3.28Å; L374-T377 WeakPolarHBondContact CA-OG1 3.46Å; L374-T377 PolarHBondContact O-N 2.93Å; L374-T377 PolarHBondContact O-OG1 3.48Å; L374-T377 VanDerWaalsContact O-OG1 3.04Å; T377-R379 VanDerWaalsContact C-N 3.3Å; T377-R379 PolarHBondContact O-N 3.38Å; T377-Q380 CarbonylContact O-C 3.55Å; T377-Q380 WeakPolarHBondContact O-CB 3.22Å; T377-Q380 PolarHBondContact O-N 3.26Å; T377-Q380 VanDerWaalsContact O-N 3.11Å; T377-E381 WeakPolarHBondContact O-CG 3.45Å; T377-E381 PolarHBondContact O-N 2.9Å |
| 378 | F | 92 | Very high | 93.2 | Very high | 126 Ų | 126 | 105.2 Ų | 105.2 | 55% | 0.553 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.5 | -38.9 | 172.8 | -82.3 | -57.6 | 0 | 0 | 0 | 112.6 | L374 E381 M382 | L374-F378 WeakPolarHBondContact O-CB 3.43Å; L374-F378 VanDerWaalsContact O-CD2 3.22Å; L374-F378 WeakPolarHBondContact O-CD2 3.44Å; L374-F378 PolarHBondContact O-N 2.87Å; F378-E381 PolarHBondContact O-N 2.81Å; F378-M382 PolarHBondContact O-N 3.23Å |
| 379 | R | 93.1 | Very high | 93 | Very high | 172 Ų | 172 | 103.5 Ų | 103.5 | 65% | 0.649 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.1 | -46.4 | 173.5 | -175 | -177.3 | -63.6 | 174.7 | 1.3 | 111.6 | F375 T376 T377 E381 M382 E383 | F375-R379 VanDerWaalsContact O-CB 3.3Å; F375-R379 WeakPolarHBondContact O-CB 3.4Å; F375-R379 PolarHBondContact O-N 2.92Å; T376-R379 PolarHBondContact O-N 3.39Å; T377-R379 VanDerWaalsContact C-N 3.3Å; T377-R379 PolarHBondContact O-N 3.38Å; R379-E381 VanDerWaalsContact C-N 3.29Å; R379-E381 PolarHBondContact O-N 3.46Å; R379-M382 PolarHBondContact O-N 2.94Å; R379-E383 PolarHBondContact O-N 3.41Å |
| 380 | Q | 93.4 | Very high | 93 | Very high | 99 Ų | 99 | 106.5 Ų | 106.5 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -35.3 | 176.1 | -70.4 | 174.3 | 34.5 | 0 | 0 | 112.3 | T376 T377 K384 | T376-Q380 VanDerWaalsContact O-CG 3.3Å; T376-Q380 WeakPolarHBondContact O-CG 3.42Å; T376-Q380 PolarHBondContact O-N 2.89Å; T377-Q380 CarbonylContact O-C 3.55Å; T377-Q380 WeakPolarHBondContact O-CB 3.22Å; T377-Q380 PolarHBondContact O-N 3.26Å; T377-Q380 VanDerWaalsContact O-N 3.11Å; Q380-K384 WeakPolarHBondContact O-CB 3.18Å; Q380-K384 WeakPolarHBondContact O-CD 3.3Å; Q380-K384 WeakPolarHBondContact O-CG 3.32Å; Q380-K384 PolarHBondContact O-N 3.48Å |
| 381 | E | 91.3 | Very high | 92.9 | Very high | 107 Ų | 107 | 106.6 Ų | 106.6 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.2 | -42 | 176.6 | -70.8 | -165.1 | 160.7 | 0 | 0 | 112.9 | T377 F378 R379 E383 K384 M385 | T377-E381 WeakPolarHBondContact O-CG 3.45Å; T377-E381 PolarHBondContact O-N 2.9Å; F378-E381 PolarHBondContact O-N 2.81Å; R379-E381 VanDerWaalsContact C-N 3.29Å; R379-E381 PolarHBondContact O-N 3.46Å; E381-E383 VanDerWaalsContact C-N 3.3Å; E381-E383 PolarHBondContact O-N 3.2Å; E381-K384 PolarHBondContact O-N 3.43Å; E381-M385 VanDerWaalsContact O-CB 3.32Å; E381-M385 WeakPolarHBondContact O-CB 3.14Å; E381-M385 PolarHBondContact O-N 3.3Å |
| 382 | M | 91.6 | Very high | 92.8 | Very high | 132 Ų | 132 | 108.6 Ų | 108.6 | 65% | 0.65 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -56.4 | -45.9 | 168.4 | -79.7 | -162.5 | 73.7 | 0 | 0 | 110.8 | F378 R379 K384 M385 T386 | F378-M382 PolarHBondContact O-N 3.23Å; R379-M382 PolarHBondContact O-N 2.94Å; M382-K384 PolarHBondContact O-N 3.42Å; M382-M385 CarbonylContact O-C 3.56Å; M382-M385 PolarHBondContact O-N 2.92Å; M382-T386 WeakPolarHBondContact O-CB 3.45Å; M382-T386 PolarHBondContact O-N 2.66Å; M382-T386 PolarHBondContact O-OG1 3.17Å |
| 383 | E | 93.1 | Very high | 92.6 | Very high | 91 Ų | 91 | 109.7 Ų | 109.7 | 43% | 0.425 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 175.2 | -84.4 | -169.8 | -130.8 | 0 | 0 | 113.1 | R379 E381 M385 T386 K387 | R379-E383 PolarHBondContact O-N 3.41Å; E381-E383 VanDerWaalsContact C-N 3.3Å; E381-E383 PolarHBondContact O-N 3.2Å; E383-M385 VanDerWaalsContact C-N 3.29Å; E383-M385 PolarHBondContact O-N 3.04Å; E383-T386 PolarHBondContact O-N 2.61Å; E383-K387 WeakPolarHBondContact O-CB 3.42Å; E383-K387 VanDerWaalsContact O-CD 3.28Å; E383-K387 WeakPolarHBondContact O-CD 3.42Å; E383-K387 WeakPolarHBondContact O-CG 3.49Å; E383-K387 PolarHBondContact O-N 3.11Å; E383-K387 IonicContact OE2-NZ 2.63Å; E383-K387 PolarHBondContact OE2-NZ 2.89Å |
| 384 | K | 93.7 | Very high | 92.6 | Very high | 123 Ų | 123 | 110.7 Ų | 110.7 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.6 | -42 | 175.1 | -71.8 | 161.4 | -167.5 | 166 | 0 | 110.6 | Q380 E381 M382 K387 K388 | Q380-K384 WeakPolarHBondContact O-CB 3.18Å; Q380-K384 WeakPolarHBondContact O-CD 3.3Å; Q380-K384 WeakPolarHBondContact O-CG 3.32Å; Q380-K384 PolarHBondContact O-N 3.48Å; E381-K384 PolarHBondContact O-N 3.43Å; M382-K384 PolarHBondContact O-N 3.42Å; K384-K387 PolarHBondContact O-N 2.83Å; K384-K388 WeakPolarHBondContact O-CB 3.49Å; K384-K388 PolarHBondContact O-N 3.41Å |
| 385 | M | 92.2 | Very high | 92.4 | Very high | 119 Ų | 119 | 109.2 Ų | 109.2 | 59% | 0.586 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67 | -46.4 | 178.4 | -166.9 | -177 | -64 | 0 | 0 | 111.6 | E381 M382 E383 K387 K388 I389 | E381-M385 VanDerWaalsContact O-CB 3.32Å; E381-M385 WeakPolarHBondContact O-CB 3.14Å; E381-M385 PolarHBondContact O-N 3.3Å; M382-M385 CarbonylContact O-C 3.56Å; M382-M385 PolarHBondContact O-N 2.92Å; E383-M385 VanDerWaalsContact C-N 3.29Å; E383-M385 PolarHBondContact O-N 3.04Å; M385-K387 VanDerWaalsContact C-N 3.32Å; M385-K387 PolarHBondContact O-N 3.42Å; M385-K388 CarbonylContact O-C 3.58Å; M385-K388 WeakPolarHBondContact O-CA 3.43Å; M385-K388 WeakPolarHBondContact O-CB 3.5Å; M385-K388 PolarHBondContact O-N 2.94Å; M385-K388 VanDerWaalsContact O-N 3.11Å; M385-I389 HydrophobicContact CG-CD1 4.13Å; M385-I389 WeakPolarHBondContact O-CG1 3.34Å; M385-I389 PolarHBondContact O-N 3.46Å |
| 386 | T | 92.8 | Very high | 92.3 | Very high | 59 Ų | 59 | 106.6 Ų | 106.6 | 36% | 0.362 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 173.6 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | M382 E383 K388 I389 K390 | M382-T386 WeakPolarHBondContact O-CB 3.45Å; M382-T386 PolarHBondContact O-N 2.66Å; M382-T386 PolarHBondContact O-OG1 3.17Å; E383-T386 PolarHBondContact O-N 2.61Å; T386-K388 VanDerWaalsContact C-N 3.34Å; T386-I389 PolarHBondContact O-N 3.07Å; T386-K390 HydrophobicContact CG2-CD 4.23Å; T386-K390 WeakPolarHBondContact O-CB 3.28Å; T386-K390 WeakPolarHBondContact O-CG 3.14Å; T386-K390 PolarHBondContact O-N 3.14Å |
| 387 | K | 94.1 | Very high | 92.2 | Very high | 126 Ų | 126 | 108.8 Ų | 108.8 | 55% | 0.548 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 174.1 | -70.6 | 160.1 | -166.3 | 166.9 | 0 | 111.3 | E383 K384 M385 K391 | E383-K387 WeakPolarHBondContact O-CB 3.42Å; E383-K387 VanDerWaalsContact O-CD 3.28Å; E383-K387 WeakPolarHBondContact O-CD 3.42Å; E383-K387 WeakPolarHBondContact O-CG 3.49Å; E383-K387 PolarHBondContact O-N 3.11Å; E383-K387 IonicContact OE2-NZ 2.63Å; E383-K387 PolarHBondContact OE2-NZ 2.89Å; K384-K387 PolarHBondContact O-N 2.83Å; M385-K387 VanDerWaalsContact C-N 3.32Å; M385-K387 PolarHBondContact O-N 3.42Å; K387-K391 PolarHBondContact O-N 3.01Å |
| 388 | K | 93.1 | Very high | 92.1 | Very high | 143 Ų | 143 | 110.7 Ų | 110.7 | 62% | 0.622 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.3 | -43.8 | 174.5 | -170.6 | 178.2 | -179.9 | -177.5 | 0 | 112.5 | K384 M385 T386 K391 L392 | K384-K388 WeakPolarHBondContact O-CB 3.49Å; K384-K388 PolarHBondContact O-N 3.41Å; M385-K388 CarbonylContact O-C 3.58Å; M385-K388 WeakPolarHBondContact O-CA 3.43Å; M385-K388 WeakPolarHBondContact O-CB 3.5Å; M385-K388 PolarHBondContact O-N 2.94Å; M385-K388 VanDerWaalsContact O-N 3.11Å; T386-K388 VanDerWaalsContact C-N 3.34Å; K388-K391 WeakPolarHBondContact O-CB 3.41Å; K388-K391 PolarHBondContact O-N 3.44Å; K388-K391 VanDerWaalsContact O-N 3.14Å; K388-L392 HydrophobicContact CG-CD1 4.31Å; K388-L392 WeakPolarHBondContact O-CG 3.49Å; K388-L392 PolarHBondContact O-N 2.8Å |
| 389 | I | 91.1 | Very high | 92.1 | Very high | 77 Ų | 77 | 112.7 Ų | 112.7 | 40% | 0.395 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.9 | -52.4 | 173.9 | -70.1 | 164.7 | 0 | 0 | 0 | 109.6 | M385 T386 K391 L392 E393 | M385-I389 HydrophobicContact CG-CD1 4.13Å; M385-I389 WeakPolarHBondContact O-CG1 3.34Å; M385-I389 PolarHBondContact O-N 3.46Å; T386-I389 PolarHBondContact O-N 3.07Å; I389-K391 PolarHBondContact O-N 2.78Å; I389-K391 VanDerWaalsContact O-N 3.07Å; I389-L392 CarbonylContact O-C 3.6Å; I389-L392 PolarHBondContact O-N 2.93Å; I389-E393 HydrophobicContact CG2-CG 4.15Å; I389-E393 WeakPolarHBondContact CG2-OE1 3.48Å; I389-E393 WeakPolarHBondContact O-CG 3.35Å; I389-E393 PolarHBondContact O-N 3.42Å |
| 390 | K | 92.9 | Very high | 92 | Very high | 123 Ų | 123 | 110.5 Ų | 110.5 | 54% | 0.535 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -19.3 | 176.8 | -71.9 | 179.5 | 178.2 | -177.4 | 0 | 114.8 | T386 E393 K394 | T386-K390 HydrophobicContact CG2-CD 4.23Å; T386-K390 WeakPolarHBondContact O-CB 3.28Å; T386-K390 WeakPolarHBondContact O-CG 3.14Å; T386-K390 PolarHBondContact O-N 3.14Å; K390-E393 WeakPolarHBondContact CA-OE2 3.36Å; K390-K394 VanDerWaalsContact O-CG 3.3Å; K390-K394 WeakPolarHBondContact O-CG 3.27Å |
| 391 | K | 92.2 | Very high | 91.8 | Very high | 125 Ų | 125 | 108.7 Ų | 108.7 | 54% | 0.543 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -80.4 | -48 | 170.3 | -172.4 | 175.5 | -176.5 | -78.6 | 0 | 111 | K387 K388 I389 E393 K394 E395 | K387-K391 PolarHBondContact O-N 3.01Å; K388-K391 WeakPolarHBondContact O-CB 3.41Å; K388-K391 PolarHBondContact O-N 3.44Å; K388-K391 VanDerWaalsContact O-N 3.14Å; I389-K391 PolarHBondContact O-N 2.78Å; I389-K391 VanDerWaalsContact O-N 3.07Å; K391-E393 VanDerWaalsContact C-N 3.34Å; K391-E393 PolarHBondContact O-N 2.98Å; K391-K394 PolarHBondContact O-N 3.01Å; K391-E395 WeakPolarHBondContact CE-OE1 3.27Å; K391-E395 WeakPolarHBondContact CG-OE1 3.36Å; K391-E395 IonicContact NZ-OE1 2.84Å; K391-E395 PolarHBondContact NZ-OE1 2.89Å; K391-E395 WeakPolarHBondContact O-CG 3.3Å; K391-E395 PolarHBondContact O-N 3.22Å |
| 392 | L | 90.4 | Very high | 91.8 | Very high | 88 Ų | 88 | 108.8 Ų | 108.8 | 46% | 0.461 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -35.6 | 177.1 | -68.1 | 169.9 | 0 | 0 | 0 | 112.6 | K388 I389 E395 T396 | K388-L392 HydrophobicContact CG-CD1 4.31Å; K388-L392 WeakPolarHBondContact O-CG 3.49Å; K388-L392 PolarHBondContact O-N 2.8Å; I389-L392 CarbonylContact O-C 3.6Å; I389-L392 PolarHBondContact O-N 2.93Å; L392-E395 PolarHBondContact O-N 3.44Å; L392-T396 VanDerWaalsContact O-CB 3.27Å; L392-T396 WeakPolarHBondContact O-CB 3.49Å; L392-T396 PolarHBondContact O-N 2.7Å; L392-T396 PolarHBondContact O-OG1 2.81Å |
| 393 | E | 90.7 | Very high | 91.8 | Very high | 113 Ų | 113 | 110 Ų | 110 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 172.9 | -72.9 | 170.6 | 159.1 | 0 | 0 | 111.7 | I389 K390 K391 T396 M397 | I389-E393 HydrophobicContact CG2-CG 4.15Å; I389-E393 WeakPolarHBondContact CG2-OE1 3.48Å; I389-E393 WeakPolarHBondContact O-CG 3.35Å; I389-E393 PolarHBondContact O-N 3.42Å; K390-E393 WeakPolarHBondContact CA-OE2 3.36Å; K391-E393 VanDerWaalsContact C-N 3.34Å; K391-E393 PolarHBondContact O-N 2.98Å; E393-T396 PolarHBondContact O-N 3.38Å; E393-M397 WeakPolarHBondContact O-CB 3.45Å; E393-M397 PolarHBondContact O-N 3.32Å |
| 394 | K | 92.8 | Very high | 91.7 | Very high | 147 Ų | 147 | 109.7 Ų | 109.7 | 64% | 0.639 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.9 | -42.8 | 175.7 | -71.6 | 177.8 | -176.5 | -170.4 | 0 | 111.8 | K390 K391 T396 M397 I398 | K390-K394 VanDerWaalsContact O-CG 3.3Å; K390-K394 WeakPolarHBondContact O-CG 3.27Å; K391-K394 PolarHBondContact O-N 3.01Å; K394-T396 VanDerWaalsContact C-N 3.33Å; K394-T396 PolarHBondContact O-N 3.5Å; K394-M397 PolarHBondContact O-N 2.92Å; K394-I398 WeakPolarHBondContact O-CD1 3.48Å; K394-I398 VanDerWaalsContact O-CG1 3.27Å; K394-I398 WeakPolarHBondContact O-CG1 3.35Å; K394-I398 PolarHBondContact O-N 3.45Å |
| 395 | E | 91.2 | Very high | 91.5 | Very high | 68 Ų | 68 | 108.7 Ų | 108.7 | 32% | 0.318 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 175.4 | -73.2 | 167.6 | -177.1 | 0 | 0 | 111.1 | K391 L392 I398 W399 | K391-E395 WeakPolarHBondContact CE-OE1 3.27Å; K391-E395 WeakPolarHBondContact CG-OE1 3.36Å; K391-E395 IonicContact NZ-OE1 2.84Å; K391-E395 PolarHBondContact NZ-OE1 2.89Å; K391-E395 WeakPolarHBondContact O-CG 3.3Å; K391-E395 PolarHBondContact O-N 3.22Å; L392-E395 PolarHBondContact O-N 3.44Å; E395-I398 PolarHBondContact O-N 3.4Å; E395-W399 PolarHBondContact O-N 2.88Å |
| 396 | T | 90.8 | Very high | 91.4 | Very high | 78 Ų | 78 | 108.2 Ų | 108.2 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 174.8 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | L392 E393 K394 W399 R400 | L392-T396 VanDerWaalsContact O-CB 3.27Å; L392-T396 WeakPolarHBondContact O-CB 3.49Å; L392-T396 PolarHBondContact O-N 2.7Å; L392-T396 PolarHBondContact O-OG1 2.81Å; E393-T396 PolarHBondContact O-N 3.38Å; K394-T396 VanDerWaalsContact C-N 3.33Å; K394-T396 PolarHBondContact O-N 3.5Å; T396-W399 PolarHBondContact O-N 2.81Å; T396-R400 WeakPolarHBondContact O-CB 3.34Å; T396-R400 PolarHBondContact O-N 2.93Å |
| 397 | M | 90.8 | Very high | 91.3 | Very high | 115 Ų | 115 | 108.3 Ų | 108.3 | 57% | 0.567 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.2 | -46.6 | 173.4 | 178.2 | -178.7 | -83.7 | 0 | 0 | 111.3 | E393 K394 W399 R400 T401 | E393-M397 WeakPolarHBondContact O-CB 3.45Å; E393-M397 PolarHBondContact O-N 3.32Å; K394-M397 PolarHBondContact O-N 2.92Å; M397-W399 VanDerWaalsContact C-N 3.34Å; M397-W399 PolarHBondContact O-N 3.08Å; M397-R400 PolarHBondContact O-N 2.93Å; M397-T401 PolarHBondContact O-N 3.39Å; M397-T401 PolarHBondContact O-OG1 3.33Å |
| 398 | I | 91.1 | Very high | 91.1 | Very high | 94 Ų | 94 | 108.5 Ų | 108.5 | 48% | 0.482 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 177.2 | -69.5 | 162.3 | 0 | 0 | 0 | 111 | K394 E395 K402 | K394-I398 WeakPolarHBondContact O-CD1 3.48Å; K394-I398 VanDerWaalsContact O-CG1 3.27Å; K394-I398 WeakPolarHBondContact O-CG1 3.35Å; K394-I398 PolarHBondContact O-N 3.45Å; E395-I398 PolarHBondContact O-N 3.4Å; I398-K402 HydrophobicContact CG2-CD 4.35Å; I398-K402 WeakPolarHBondContact O-CB 3.48Å; I398-K402 WeakPolarHBondContact O-CG 3.45Å; I398-K402 PolarHBondContact O-N 2.93Å |
| 399 | W | 90.9 | Very high | 90.8 | Very high | 167 Ų | 167 | 103.7 Ų | 103.7 | 63% | 0.633 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.9 | -38.4 | 176.3 | -78.4 | 119.7 | 0 | 0 | 0 | 112.7 | E395 T396 M397 K402 W403 | E395-W399 PolarHBondContact O-N 2.88Å; T396-W399 PolarHBondContact O-N 2.81Å; M397-W399 VanDerWaalsContact C-N 3.34Å; M397-W399 PolarHBondContact O-N 3.08Å; W399-K402 HydrophobicContact CD2-CD 4.39Å; W399-K402 HydrophobicContact CE3-CB 4.45Å; W399-K402 HydrophobicContact CE3-CD 3.68Å; W399-K402 HydrophobicContact CZ3-CD 3.77Å; W399-K402 PolarHBondContact O-N 2.92Å; W399-W403 WeakPolarHBondContact O-CB 3.32Å; W399-W403 PolarHBondContact O-N 2.86Å |
| 400 | R | 91.6 | Very high | 90.6 | Very high | 126 Ų | 126 | 105.2 Ų | 105.2 | 48% | 0.475 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.4 | -49.7 | 174 | -162.9 | -167.9 | -61.5 | 120 | 3.2 | 111.1 | T396 M397 K402 W403 E404 | T396-R400 WeakPolarHBondContact O-CB 3.34Å; T396-R400 PolarHBondContact O-N 2.93Å; M397-R400 PolarHBondContact O-N 2.93Å; R400-K402 VanDerWaalsContact C-N 3.33Å; R400-K402 PolarHBondContact O-N 2.79Å; R400-W403 CarbonylContact O-C 3.6Å; R400-W403 WeakPolarHBondContact O-CB 3.45Å; R400-W403 PolarHBondContact O-N 3.28Å; R400-W403 VanDerWaalsContact O-N 3.08Å; R400-E404 VanDerWaalsContact CD-OE1 3.23Å; R400-E404 WeakPolarHBondContact CD-OE1 3.29Å; R400-E404 HydrophobicContact CG-CG 4.41Å; R400-E404 VanDerWaalsContact CG-OE1 3.29Å; R400-E404 WeakPolarHBondContact CG-OE1 3.28Å; R400-E404 WeakPolarHBondContact O-CB 3.31Å; R400-E404 VanDerWaalsContact O-CG 3.28Å; R400-E404 WeakPolarHBondContact O-CG 3.28Å; R400-E404 PolarHBondContact O-N 3.4Å |
| 401 | T | 90.3 | Very high | 90.4 | Very high | 61 Ų | 61 | 104 Ų | 104 | 37% | 0.374 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.9 | -32.8 | 178.1 | -58.3 | 0 | 0 | 0 | 0 | 113.1 | M397 E404 N405 | M397-T401 PolarHBondContact O-N 3.39Å; M397-T401 PolarHBondContact O-OG1 3.33Å; T401-E404 VanDerWaalsContact CA-OE2 3.31Å; T401-E404 WeakPolarHBondContact CA-OE2 3.47Å; T401-N405 VanDerWaalsContact O-CB 3.3Å; T401-N405 WeakPolarHBondContact O-CB 3.23Å; T401-N405 VanDerWaalsContact O-CG 3.23Å; T401-N405 PolarHBondContact O-N 2.95Å; T401-N405 PolarHBondContact O-ND2 3.43Å |
| 402 | K | 90.8 | Very high | 90 | Very high | 110 Ų | 110 | 102.9 Ų | 102.9 | 48% | 0.478 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 168.8 | -78.8 | 176.8 | 177.1 | -176.5 | 0 | 112.1 | I398 W399 R400 N406 | I398-K402 HydrophobicContact CG2-CD 4.35Å; I398-K402 WeakPolarHBondContact O-CB 3.48Å; I398-K402 WeakPolarHBondContact O-CG 3.45Å; I398-K402 PolarHBondContact O-N 2.93Å; W399-K402 HydrophobicContact CD2-CD 4.39Å; W399-K402 HydrophobicContact CE3-CB 4.45Å; W399-K402 HydrophobicContact CE3-CD 3.68Å; W399-K402 HydrophobicContact CZ3-CD 3.77Å; W399-K402 PolarHBondContact O-N 2.92Å; R400-K402 VanDerWaalsContact C-N 3.33Å; R400-K402 PolarHBondContact O-N 2.79Å; K402-N406 WeakPolarHBondContact O-CB 3.39Å; K402-N406 PolarHBondContact O-N 3.23Å |
| 403 | W | 91.3 | Very high | 89.6 | Confident | 157 Ų | 157 | 104.8 Ų | 104.8 | 60% | 0.595 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.3 | -44.5 | 178.1 | 178 | 85.8 | 0 | 0 | 0 | 111.8 | W399 R400 N405 N406 N407 | W399-W403 WeakPolarHBondContact O-CB 3.32Å; W399-W403 PolarHBondContact O-N 2.86Å; R400-W403 CarbonylContact O-C 3.6Å; R400-W403 WeakPolarHBondContact O-CB 3.45Å; R400-W403 PolarHBondContact O-N 3.28Å; R400-W403 VanDerWaalsContact O-N 3.08Å; W403-N405 VanDerWaalsContact C-N 3.35Å; W403-N405 PolarHBondContact O-N 3.29Å; W403-N406 PolarHBondContact O-N 2.99Å; W403-N407 HydrophobicContact CZ2-CB 4.47Å; W403-N407 VanDerWaalsContact O-CB 3.25Å; W403-N407 WeakPolarHBondContact O-CB 3.44Å; W403-N407 PolarHBondContact O-N 3.43Å |
| 404 | E | 90.3 | Very high | 89.2 | Confident | 85 Ų | 85 | 101.9 Ų | 101.9 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.2 | -47.3 | 174.2 | -72 | 160.7 | 176.2 | 0 | 0 | 111 | R400 T401 K408 | R400-E404 VanDerWaalsContact CD-OE1 3.23Å; R400-E404 WeakPolarHBondContact CD-OE1 3.29Å; R400-E404 HydrophobicContact CG-CG 4.41Å; R400-E404 VanDerWaalsContact CG-OE1 3.29Å; R400-E404 WeakPolarHBondContact CG-OE1 3.28Å; R400-E404 WeakPolarHBondContact O-CB 3.31Å; R400-E404 VanDerWaalsContact O-CG 3.28Å; R400-E404 WeakPolarHBondContact O-CG 3.28Å; R400-E404 PolarHBondContact O-N 3.4Å; T401-E404 VanDerWaalsContact CA-OE2 3.31Å; T401-E404 WeakPolarHBondContact CA-OE2 3.47Å; E404-K408 VanDerWaalsContact O-CB 3.28Å; E404-K408 WeakPolarHBondContact O-CB 3.3Å; E404-K408 PolarHBondContact O-N 3.18Å |
| 405 | N | 89.8 | Confident | 88.7 | Confident | 102 Ų | 102 | 100.7 Ų | 100.7 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.3 | -40.6 | 177 | -75.1 | -27 | 0 | 0 | 0 | 112.8 | T401 W403 K408 A409 | T401-N405 VanDerWaalsContact O-CB 3.3Å; T401-N405 WeakPolarHBondContact O-CB 3.23Å; T401-N405 VanDerWaalsContact O-CG 3.23Å; T401-N405 PolarHBondContact O-N 2.95Å; T401-N405 PolarHBondContact O-ND2 3.43Å; W403-N405 VanDerWaalsContact C-N 3.35Å; W403-N405 PolarHBondContact O-N 3.29Å; N405-K408 PolarHBondContact O-N 3.24Å; N405-A409 PolarHBondContact O-N 2.95Å |
| 406 | N | 89.9 | Confident | 88.3 | Confident | 109 Ų | 109 | 103.3 Ų | 103.3 | 58% | 0.583 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.4 | -41.6 | 177.6 | 178.6 | -113.3 | 0 | 0 | 0 | 111.9 | K402 W403 K408 A409 L410 | K402-N406 WeakPolarHBondContact O-CB 3.39Å; K402-N406 PolarHBondContact O-N 3.23Å; W403-N406 PolarHBondContact O-N 2.99Å; N406-K408 VanDerWaalsContact C-N 3.33Å; N406-A409 PolarHBondContact O-N 3.45Å; N406-L410 WeakPolarHBondContact O-CB 3.47Å; N406-L410 PolarHBondContact O-N 2.94Å |
| 407 | N | 90.9 | Very high | 88 | Confident | 60 Ų | 60 | 105.8 Ų | 105.8 | 32% | 0.321 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.5 | -36.4 | 174.8 | -171.1 | 55.2 | 0 | 0 | 0 | 111.6 | W403 L410 L411 | W403-N407 HydrophobicContact CZ2-CB 4.47Å; W403-N407 VanDerWaalsContact O-CB 3.25Å; W403-N407 WeakPolarHBondContact O-CB 3.44Å; W403-N407 PolarHBondContact O-N 3.43Å; N407-L410 WeakPolarHBondContact O-CB 3.42Å; N407-L410 PolarHBondContact O-N 3.27Å; N407-L411 WeakPolarHBondContact O-CG 3.45Å; N407-L411 PolarHBondContact O-N 2.89Å |
| 408 | K | 90.4 | Very high | 87.6 | Confident | 131 Ų | 131 | 103.5 Ų | 103.5 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.6 | -43.7 | 172 | -173.3 | 175.9 | -179.4 | 179.5 | 0 | 112.1 | E404 N405 N406 L410 L411 Q412 | E404-K408 VanDerWaalsContact O-CB 3.28Å; E404-K408 WeakPolarHBondContact O-CB 3.3Å; E404-K408 PolarHBondContact O-N 3.18Å; N405-K408 PolarHBondContact O-N 3.24Å; N406-K408 VanDerWaalsContact C-N 3.33Å; K408-L410 VanDerWaalsContact C-N 3.33Å; K408-L411 PolarHBondContact O-N 3Å; K408-Q412 WeakPolarHBondContact O-CG 3.33Å; K408-Q412 PolarHBondContact O-N 3.35Å |
| 409 | A | 87.5 | Confident | 87.2 | Confident | 42 Ų | 42 | 102.4 Ų | 102.4 | 35% | 0.347 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | N405 N406 Q412 M413 | N405-A409 PolarHBondContact O-N 2.95Å; N406-A409 PolarHBondContact O-N 3.45Å; A409-Q412 PolarHBondContact O-N 3.36Å; A409-M413 WeakPolarHBondContact O-CG 3.45Å; A409-M413 PolarHBondContact O-N 2.85Å |
| 410 | L | 87.3 | Confident | 86.6 | Confident | 109 Ų | 109 | 102.7 Ų | 102.7 | 57% | 0.571 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.6 | -41.2 | 174.6 | -162.5 | 84.6 | 0 | 0 | 0 | 111.7 | N406 N407 K408 M413 A414 | N406-L410 WeakPolarHBondContact O-CB 3.47Å; N406-L410 PolarHBondContact O-N 2.94Å; N407-L410 WeakPolarHBondContact O-CB 3.42Å; N407-L410 PolarHBondContact O-N 3.27Å; K408-L410 VanDerWaalsContact C-N 3.33Å; L410-M413 PolarHBondContact O-N 2.92Å; L410-A414 WeakPolarHBondContact O-CB 3.4Å; L410-A414 PolarHBondContact O-N 2.8Å |
| 411 | L | 87 | Confident | 86.1 | Confident | 98 Ų | 98 | 100.2 Ų | 100.2 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 173.2 | -77.5 | 164.8 | 0 | 0 | 0 | 111.7 | N407 K408 A414 E415 | N407-L411 WeakPolarHBondContact O-CG 3.45Å; N407-L411 PolarHBondContact O-N 2.89Å; K408-L411 PolarHBondContact O-N 3Å; L411-A414 WeakPolarHBondContact O-CB 3.25Å; L411-A414 PolarHBondContact O-N 3.3Å; L411-A414 VanDerWaalsContact O-N 3.14Å; L411-E415 WeakPolarHBondContact O-CG 3.42Å; L411-E415 PolarHBondContact O-N 2.85Å |
| 412 | Q | 84.7 | Confident | 85.8 | Confident | 100 Ų | 100 | 103.8 Ų | 103.8 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 175.5 | -69.5 | 179.4 | -79.1 | 0 | 0 | 111.9 | K408 A409 A414 E415 E416 | K408-Q412 WeakPolarHBondContact O-CG 3.33Å; K408-Q412 PolarHBondContact O-N 3.35Å; A409-Q412 PolarHBondContact O-N 3.36Å; Q412-A414 VanDerWaalsContact C-N 3.26Å; Q412-A414 PolarHBondContact O-N 2.87Å; Q412-E415 PolarHBondContact O-N 3.34Å; Q412-E416 WeakPolarHBondContact O-CB 3.42Å; Q412-E416 WeakPolarHBondContact O-CG 3.43Å; Q412-E416 PolarHBondContact O-N 2.93Å |
| 413 | M | 82.1 | Confident | 85.3 | Confident | 128 Ų | 128 | 102.7 Ų | 102.7 | 63% | 0.631 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.3 | -31.6 | 174.1 | -68.6 | -172.9 | 78.5 | 0 | 0 | 112.7 | A409 L410 K417 | A409-M413 WeakPolarHBondContact O-CG 3.45Å; A409-M413 PolarHBondContact O-N 2.85Å; L410-M413 PolarHBondContact O-N 2.92Å; M413-K417 WeakPolarHBondContact O-CB 3.35Å; M413-K417 PolarHBondContact O-N 2.96Å |
| 414 | A | 81.4 | Confident | 84.9 | Confident | 52 Ų | 52 | 102.2 Ų | 102.2 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.6 | -42.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L410 L411 Q412 K417 T418 | L410-A414 WeakPolarHBondContact O-CB 3.4Å; L410-A414 PolarHBondContact O-N 2.8Å; L411-A414 WeakPolarHBondContact O-CB 3.25Å; L411-A414 PolarHBondContact O-N 3.3Å; L411-A414 VanDerWaalsContact O-N 3.14Å; Q412-A414 VanDerWaalsContact C-N 3.26Å; Q412-A414 PolarHBondContact O-N 2.87Å; A414-K417 PolarHBondContact O-N 2.99Å; A414-T418 WeakPolarHBondContact O-CG2 3.36Å; A414-T418 PolarHBondContact O-N 3.2Å |
| 415 | E | 82.6 | Confident | 84.4 | Confident | 123 Ų | 123 | 104.9 Ų | 104.9 | 58% | 0.575 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60 | -51.2 | 174.3 | -73 | 175.3 | 162.5 | 0 | 0 | 111 | L411 Q412 K417 T418 V419 | L411-E415 WeakPolarHBondContact O-CG 3.42Å; L411-E415 PolarHBondContact O-N 2.85Å; Q412-E415 PolarHBondContact O-N 3.34Å; E415-K417 VanDerWaalsContact C-N 3.3Å; E415-K417 PolarHBondContact O-N 2.81Å; E415-T418 PolarHBondContact O-N 3.14Å; E415-T418 PolarHBondContact O-OG1 2.99Å; E415-V419 PolarHBondContact O-N 3.31Å |
| 416 | E | 83.3 | Confident | 83.9 | Confident | 122 Ų | 122 | 102.3 Ų | 102.3 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -53.3 | -44.9 | 173.3 | -74.5 | 173.2 | -171.8 | 0 | 0 | 111.9 | Q412 T418 V419 R420 | Q412-E416 WeakPolarHBondContact O-CB 3.42Å; Q412-E416 WeakPolarHBondContact O-CG 3.43Å; Q412-E416 PolarHBondContact O-N 2.93Å; E416-T418 PolarHBondContact O-N 3.17Å; E416-V419 PolarHBondContact O-N 3.22Å; E416-R420 WeakPolarHBondContact O-CG 3.4Å; E416-R420 PolarHBondContact O-N 3.49Å |
| 417 | K | 85 | Confident | 83.4 | Confident | 131 Ų | 131 | 103.3 Ų | 103.3 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60 | -45.5 | 173.6 | -175.8 | -174.4 | 171.4 | -174.2 | 0 | 111.6 | M413 A414 E415 V419 R420 D421 | M413-K417 WeakPolarHBondContact O-CB 3.35Å; M413-K417 PolarHBondContact O-N 2.96Å; A414-K417 PolarHBondContact O-N 2.99Å; E415-K417 VanDerWaalsContact C-N 3.3Å; E415-K417 PolarHBondContact O-N 2.81Å; K417-V419 PolarHBondContact O-N 2.99Å; K417-R420 PolarHBondContact O-N 3.01Å; K417-D421 WeakPolarHBondContact CE-OD2 3.46Å; K417-D421 WeakPolarHBondContact O-CB 3.42Å; K417-D421 PolarHBondContact O-N 3.32Å |
| 418 | T | 81.9 | Confident | 82.8 | Confident | 67 Ų | 67 | 103.9 Ų | 103.9 | 41% | 0.411 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.8 | -26.3 | 178.5 | 70.4 | 0 | 0 | 0 | 0 | 113.3 | A414 E415 E416 K422 | A414-T418 WeakPolarHBondContact O-CG2 3.36Å; A414-T418 PolarHBondContact O-N 3.2Å; E415-T418 PolarHBondContact O-N 3.14Å; E415-T418 PolarHBondContact O-OG1 2.99Å; E416-T418 PolarHBondContact O-N 3.17Å; T418-K422 VanDerWaalsContact O-CD 3.24Å; T418-K422 WeakPolarHBondContact O-CD 3.44Å; T418-K422 WeakPolarHBondContact O-CG 3.37Å; T418-K422 PolarHBondContact O-N 3.46Å |
| 419 | V | 82.8 | Confident | 82.3 | Confident | 71 Ų | 71 | 102.6 Ų | 102.6 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.2 | -50.8 | 170.7 | 175.4 | 0 | 0 | 0 | 0 | 109.6 | E415 E416 K417 D421 K422 E423 | E415-V419 PolarHBondContact O-N 3.31Å; E416-V419 PolarHBondContact O-N 3.22Å; K417-V419 PolarHBondContact O-N 2.99Å; V419-D421 VanDerWaalsContact C-N 3.31Å; V419-D421 PolarHBondContact O-N 2.81Å; V419-K422 WeakPolarHBondContact O-CA 3.15Å; V419-K422 WeakPolarHBondContact O-CB 3.25Å; V419-K422 PolarHBondContact O-N 3.18Å; V419-E423 HydrophobicContact CG1-CG 4.5Å; V419-E423 WeakPolarHBondContact O-CG 3.24Å; V419-E423 PolarHBondContact O-N 2.85Å |
| 420 | R | 78.8 | Confident | 81.8 | Confident | 173 Ų | 173 | 106.6 Ų | 106.6 | 65% | 0.653 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.8 | -38.3 | 177.1 | -67.8 | -85.9 | -81.3 | 136.8 | -1 | 112.7 | E416 K417 E423 Y424 | E416-R420 WeakPolarHBondContact O-CG 3.4Å; E416-R420 PolarHBondContact O-N 3.49Å; K417-R420 PolarHBondContact O-N 3.01Å; R420-E423 PolarHBondContact O-N 3.22Å; R420-Y424 VanDerWaalsContact O-CB 3.25Å; R420-Y424 WeakPolarHBondContact O-CB 3.17Å; R420-Y424 PolarHBondContact O-N 2.82Å |
| 421 | D | 81.1 | Confident | 81.3 | Confident | 73 Ų | 73 | 106.5 Ų | 106.5 | 39% | 0.39 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.4 | -31.5 | 175.2 | -73.2 | -19.7 | 0 | 0 | 0 | 112.3 | K417 V419 K425 | K417-D421 WeakPolarHBondContact CE-OD2 3.46Å; K417-D421 WeakPolarHBondContact O-CB 3.42Å; K417-D421 PolarHBondContact O-N 3.32Å; V419-D421 VanDerWaalsContact C-N 3.31Å; V419-D421 PolarHBondContact O-N 2.81Å; D421-K425 WeakPolarHBondContact O-CB 3.49Å; D421-K425 VanDerWaalsContact O-CG 3.29Å; D421-K425 WeakPolarHBondContact O-CG 3.29Å; D421-K425 PolarHBondContact O-N 2.92Å; D421-K425 VanDerWaalsContact O-N 3.08Å |
| 422 | K | 82.2 | Confident | 80.7 | Confident | 137 Ų | 137 | 105.7 Ų | 105.7 | 60% | 0.596 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -72.8 | -44.1 | 173.1 | -71.6 | 160.2 | -170.8 | 162.2 | 0 | 111.4 | T418 V419 K425 A426 | T418-K422 VanDerWaalsContact O-CD 3.24Å; T418-K422 WeakPolarHBondContact O-CD 3.44Å; T418-K422 WeakPolarHBondContact O-CG 3.37Å; T418-K422 PolarHBondContact O-N 3.46Å; V419-K422 WeakPolarHBondContact O-CA 3.15Å; V419-K422 WeakPolarHBondContact O-CB 3.25Å; V419-K422 PolarHBondContact O-N 3.18Å; K422-K425 PolarHBondContact O-N 2.92Å; K422-A426 PolarHBondContact O-N 3.3Å |
| 423 | E | 81.9 | Confident | 80.4 | Confident | 87 Ų | 87 | 110.4 Ų | 110.4 | 41% | 0.407 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.4 | -48.6 | 173.2 | -68.1 | 172.4 | 162.8 | 0 | 0 | 110.8 | V419 R420 K425 A426 F427 | V419-E423 HydrophobicContact CG1-CG 4.5Å; V419-E423 WeakPolarHBondContact O-CG 3.24Å; V419-E423 PolarHBondContact O-N 2.85Å; R420-E423 PolarHBondContact O-N 3.22Å; E423-K425 PolarHBondContact O-N 3.08Å; E423-A426 CarbonylContact O-C 3.58Å; E423-A426 WeakPolarHBondContact O-CA 3.48Å; E423-A426 WeakPolarHBondContact O-CB 3.33Å; E423-A426 PolarHBondContact O-N 3.4Å; E423-F427 WeakPolarHBondContact O-CD2 3.43Å; E423-F427 PolarHBondContact O-N 3.04Å |
| 424 | Y | 81.3 | Confident | 80.1 | Confident | 147 Ų | 147 | 109.8 Ų | 109.8 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.8 | -45.8 | 177.3 | -174 | -85.1 | 0 | 0 | 0 | 111.5 | R420 A426 F427 Q428 | R420-Y424 VanDerWaalsContact O-CB 3.25Å; R420-Y424 WeakPolarHBondContact O-CB 3.17Å; R420-Y424 PolarHBondContact O-N 2.82Å; Y424-A426 VanDerWaalsContact C-N 3.32Å; Y424-A426 PolarHBondContact O-N 2.67Å; Y424-F427 CarbonylContact O-C 3.59Å; Y424-F427 PolarHBondContact O-N 3.42Å; Y424-F427 VanDerWaalsContact O-N 3.14Å; Y424-Q428 VanDerWaalsContact CE1-OE1 3.23Å; Y424-Q428 PolarHBondContact O-N 2.84Å; Y424-Q428 PolarHBondContact OH-OE1 3.14Å |
| 425 | K | 81.1 | Confident | 79.7 | Confident | 141 Ų | 141 | 111.5 Ų | 111.5 | 61% | 0.613 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -37.2 | 173.5 | -76 | 173.9 | -179.3 | -179.4 | 0 | 112.8 | D421 K422 E423 F427 Q428 I429 | D421-K425 WeakPolarHBondContact O-CB 3.49Å; D421-K425 VanDerWaalsContact O-CG 3.29Å; D421-K425 WeakPolarHBondContact O-CG 3.29Å; D421-K425 PolarHBondContact O-N 2.92Å; D421-K425 VanDerWaalsContact O-N 3.08Å; K422-K425 PolarHBondContact O-N 2.92Å; E423-K425 PolarHBondContact O-N 3.08Å; K425-F427 VanDerWaalsContact C-N 3.34Å; K425-Q428 PolarHBondContact O-N 2.95Å; K425-I429 VanDerWaalsContact O-CG1 3.32Å; K425-I429 WeakPolarHBondContact O-CG1 3.4Å; K425-I429 PolarHBondContact O-N 3.13Å |
| 426 | A | 77.9 | Confident | 79.4 | Confident | 48 Ų | 48 | 111.8 Ų | 111.8 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.2 | -32.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K422 E423 Y424 K430 | K422-A426 PolarHBondContact O-N 3.3Å; E423-A426 CarbonylContact O-C 3.58Å; E423-A426 WeakPolarHBondContact O-CA 3.48Å; E423-A426 WeakPolarHBondContact O-CB 3.33Å; E423-A426 PolarHBondContact O-N 3.4Å; Y424-A426 VanDerWaalsContact C-N 3.32Å; Y424-A426 PolarHBondContact O-N 2.67Å; A426-K430 WeakPolarHBondContact O-CG 3.35Å; A426-K430 PolarHBondContact O-N 3.34Å |
| 427 | F | 80.3 | Confident | 78.9 | Confident | 130 Ų | 130 | 111.3 Ų | 111.3 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.3 | -41.8 | 169 | -72.5 | -68.4 | 0 | 0 | 0 | 112.3 | E423 Y424 K425 I429 K430 L431 | E423-F427 WeakPolarHBondContact O-CD2 3.43Å; E423-F427 PolarHBondContact O-N 3.04Å; Y424-F427 CarbonylContact O-C 3.59Å; Y424-F427 PolarHBondContact O-N 3.42Å; Y424-F427 VanDerWaalsContact O-N 3.14Å; K425-F427 VanDerWaalsContact C-N 3.34Å; F427-I429 VanDerWaalsContact C-N 3.32Å; F427-I429 PolarHBondContact O-N 3.05Å; F427-K430 HydrophobicContact CD1-CD 4.41Å; F427-K430 WeakPolarHBondContact O-CB 3.46Å; F427-K430 PolarHBondContact O-N 2.82Å; F427-K430 VanDerWaalsContact O-N 3.11Å; F427-L431 PolarHBondContact O-N 3.28Å |
| 428 | Q | 78.9 | Confident | 78.1 | Confident | 72 Ų | 72 | 108.5 Ų | 108.5 | 34% | 0.336 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.3 | -43.7 | 176.2 | -164.7 | 78.1 | 37.6 | 0 | 0 | 111.5 | Y424 K425 K430 L431 E432 | Y424-Q428 VanDerWaalsContact CE1-OE1 3.23Å; Y424-Q428 PolarHBondContact O-N 2.84Å; Y424-Q428 PolarHBondContact OH-OE1 3.14Å; K425-Q428 PolarHBondContact O-N 2.95Å; Q428-K430 PolarHBondContact O-N 3.19Å; Q428-L431 WeakPolarHBondContact O-CB 3.49Å; Q428-L431 PolarHBondContact O-N 3.47Å; Q428-E432 PolarHBondContact O-N 3.34Å |
| 429 | I | 80.4 | Confident | 77.7 | Confident | 104 Ų | 104 | 112.9 Ų | 112.9 | 53% | 0.533 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.4 | -34.9 | 176.9 | -68 | 163.8 | 0 | 0 | 0 | 112.1 | K425 F427 R433 | K425-I429 VanDerWaalsContact O-CG1 3.32Å; K425-I429 WeakPolarHBondContact O-CG1 3.4Å; K425-I429 PolarHBondContact O-N 3.13Å; F427-I429 VanDerWaalsContact C-N 3.32Å; F427-I429 PolarHBondContact O-N 3.05Å; I429-R433 PolarHBondContact O-N 3.3Å; I429-R433 VanDerWaalsContact O-N 3.14Å |
| 430 | K | 76.6 | Confident | 76.9 | Confident | 125 Ų | 125 | 111.8 Ų | 111.8 | 54% | 0.543 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 171.8 | -70.4 | 168.8 | -176.3 | 176.5 | 0 | 111 | A426 F427 Q428 R433 L434 | A426-K430 WeakPolarHBondContact O-CG 3.35Å; A426-K430 PolarHBondContact O-N 3.34Å; F427-K430 HydrophobicContact CD1-CD 4.41Å; F427-K430 WeakPolarHBondContact O-CB 3.46Å; F427-K430 PolarHBondContact O-N 2.82Å; F427-K430 VanDerWaalsContact O-N 3.11Å; Q428-K430 PolarHBondContact O-N 3.19Å; K430-R433 PolarHBondContact O-N 2.86Å; K430-L434 WeakPolarHBondContact O-CD1 3.4Å; K430-L434 PolarHBondContact O-N 2.87Å |
| 431 | L | 76.1 | Confident | 76.3 | Confident | 108 Ų | 108 | 108.4 Ų | 108.4 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.4 | -49.1 | 177.4 | -156.5 | 86.5 | 0 | 0 | 0 | 111 | F427 Q428 R433 L434 E435 | F427-L431 PolarHBondContact O-N 3.28Å; Q428-L431 WeakPolarHBondContact O-CB 3.49Å; Q428-L431 PolarHBondContact O-N 3.47Å; L431-R433 VanDerWaalsContact C-N 3.26Å; L431-R433 PolarHBondContact O-N 3.11Å; L431-L434 PolarHBondContact O-N 3.3Å; L431-L434 VanDerWaalsContact O-N 3.13Å; L431-E435 WeakPolarHBondContact O-CB 3.39Å; L431-E435 PolarHBondContact O-N 3.37Å |
| 432 | E | 75.1 | Confident | 75.5 | Confident | 81 Ų | 81 | 110.5 Ų | 110.5 | 38% | 0.379 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.5 | -35.7 | 174.9 | -80.6 | -170.8 | -143 | 0 | 0 | 113 | Q428 E435 K436 | Q428-E432 PolarHBondContact O-N 3.34Å; E432-E435 PolarHBondContact O-N 2.99Å; E432-K436 VanDerWaalsContact O-CB 3.31Å; E432-K436 WeakPolarHBondContact O-CB 3.32Å; E432-K436 WeakPolarHBondContact O-CD 3.3Å; E432-K436 VanDerWaalsContact O-CG 3.27Å; E432-K436 WeakPolarHBondContact O-CG 3.3Å; E432-K436 PolarHBondContact O-N 3.45Å; E432-K436 IonicContact OE2-NZ 3.16Å; E432-K436 PolarHBondContact OE2-NZ 2.98Å |
| 433 | R | 78.3 | Confident | 74.8 | Confident | 199 Ų | 199 | 107.9 Ų | 107.9 | 75% | 0.751 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.6 | -43.2 | 174.8 | -89.3 | -175.8 | 166.4 | -175.3 | -3.7 | 111.8 | I429 K430 L431 L437 | I429-R433 PolarHBondContact O-N 3.3Å; I429-R433 VanDerWaalsContact O-N 3.14Å; K430-R433 PolarHBondContact O-N 2.86Å; L431-R433 VanDerWaalsContact C-N 3.26Å; L431-R433 PolarHBondContact O-N 3.11Å; R433-L437 WeakPolarHBondContact O-CB 3.37Å; R433-L437 PolarHBondContact O-N 3.45Å; R433-L437 VanDerWaalsContact O-N 3.08Å |
| 434 | L | 74.6 | Confident | 73.9 | Confident | 115 Ų | 115 | 109.8 Ų | 109.8 | 60% | 0.602 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.5 | -44.9 | 171.8 | -93.7 | 84.6 | 0 | 0 | 0 | 111 | K430 L431 K436 L437 C438 | K430-L434 WeakPolarHBondContact O-CD1 3.4Å; K430-L434 PolarHBondContact O-N 2.87Å; L431-L434 PolarHBondContact O-N 3.3Å; L431-L434 VanDerWaalsContact O-N 3.13Å; L434-K436 PolarHBondContact O-N 2.9Å; L434-L437 WeakPolarHBondContact O-CB 3.43Å; L434-L437 PolarHBondContact O-N 3.27Å; L434-L437 VanDerWaalsContact O-N 3.13Å; L434-C438 PolarHBondContact O-N 3.43Å; L434-C438 PolarHBondContact O-SG 3.14Å |
| 435 | E | 74.1 | Confident | 73.1 | Confident | 88 Ų | 88 | 110.6 Ų | 110.6 | 41% | 0.411 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | -177.3 | -157.2 | -161.9 | 143.8 | 0 | 0 | 112.1 | L431 E432 L437 C438 R439 | L431-E435 WeakPolarHBondContact O-CB 3.39Å; L431-E435 PolarHBondContact O-N 3.37Å; E432-E435 PolarHBondContact O-N 2.99Å; E435-L437 VanDerWaalsContact C-N 3.35Å; E435-C438 PolarHBondContact O-N 3.44Å; E435-R439 WeakPolarHBondContact O-CB 3.43Å; E435-R439 VanDerWaalsContact O-CG 3.3Å; E435-R439 WeakPolarHBondContact O-CG 3.31Å; E435-R439 PolarHBondContact O-N 3.07Å; E435-R439 IonicContact OE1-CZ 2.8Å; E435-R439 IonicContact OE1-NE 2.79Å; E435-R439 PolarHBondContact OE1-NE 2.9Å; E435-R439 IonicContact OE1-NH2 2.92Å; E435-R439 PolarHBondContact OE1-NH2 3.35Å |
| 436 | K | 76.7 | Confident | 72.3 | Confident | 128 Ų | 128 | 107.7 Ų | 107.7 | 56% | 0.557 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.5 | -37.6 | 172.9 | -75 | 162.6 | -179.5 | 156.5 | 0 | 111.7 | E432 L434 A440 | E432-K436 VanDerWaalsContact O-CB 3.31Å; E432-K436 WeakPolarHBondContact O-CB 3.32Å; E432-K436 WeakPolarHBondContact O-CD 3.3Å; E432-K436 VanDerWaalsContact O-CG 3.27Å; E432-K436 WeakPolarHBondContact O-CG 3.3Å; E432-K436 PolarHBondContact O-N 3.45Å; E432-K436 IonicContact OE2-NZ 3.16Å; E432-K436 PolarHBondContact OE2-NZ 2.98Å; L434-K436 PolarHBondContact O-N 2.9Å; K436-A440 WeakPolarHBondContact O-CB 3.27Å; K436-A440 PolarHBondContact O-N 3.4Å |
| 437 | L | 71.6 | Confident | 71.6 | Confident | 113 Ų | 113 | 110.7 Ų | 110.7 | 59% | 0.592 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.7 | -45.3 | 174.4 | -165.5 | 76 | 0 | 0 | 0 | 111.7 | R433 L434 E435 A440 L441 | R433-L437 WeakPolarHBondContact O-CB 3.37Å; R433-L437 PolarHBondContact O-N 3.45Å; R433-L437 VanDerWaalsContact O-N 3.08Å; L434-L437 WeakPolarHBondContact O-CB 3.43Å; L434-L437 PolarHBondContact O-N 3.27Å; L434-L437 VanDerWaalsContact O-N 3.13Å; E435-L437 VanDerWaalsContact C-N 3.35Å; L437-A440 PolarHBondContact O-N 2.84Å; L437-L441 HydrophobicContact CG-CD1 4.4Å; L437-L441 WeakPolarHBondContact O-CG 3.42Å; L437-L441 PolarHBondContact O-N 3.08Å |
| 438 | C | 69 | Low | 70.6 | Confident | 71 Ų | 71 | 110 Ų | 110 | 48% | 0.48 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61 | -47.3 | 175.7 | -66.9 | 0 | 0 | 0 | 0 | 111.5 | L434 E435 A440 L441 Q442 | L434-C438 PolarHBondContact O-N 3.43Å; L434-C438 PolarHBondContact O-SG 3.14Å; E435-C438 PolarHBondContact O-N 3.44Å; C438-A440 VanDerWaalsContact C-N 3.34Å; C438-A440 PolarHBondContact O-N 3.13Å; C438-L441 PolarHBondContact O-N 2.8Å; C438-Q442 VanDerWaalsContact O-CB 3.3Å; C438-Q442 WeakPolarHBondContact O-CB 3.39Å; C438-Q442 PolarHBondContact O-N 2.79Å |
| 439 | R | 73.1 | Confident | 69.6 | Low | 159 Ų | 159 | 111.1 Ų | 111.1 | 60% | 0.6 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60 | -42.4 | 177 | -72.8 | 172.9 | -177 | -105.5 | 7.5 | 111.7 | E435 Q442 T443 | E435-R439 WeakPolarHBondContact O-CB 3.43Å; E435-R439 VanDerWaalsContact O-CG 3.3Å; E435-R439 WeakPolarHBondContact O-CG 3.31Å; E435-R439 PolarHBondContact O-N 3.07Å; E435-R439 IonicContact OE1-CZ 2.8Å; E435-R439 IonicContact OE1-NE 2.79Å; E435-R439 PolarHBondContact OE1-NE 2.9Å; E435-R439 IonicContact OE1-NH2 2.92Å; E435-R439 PolarHBondContact OE1-NH2 3.35Å; R439-Q442 PolarHBondContact O-N 3Å; R439-T443 PolarHBondContact O-N 3.08Å; R439-T443 PolarHBondContact O-OG1 3.35Å; R439-T443 VanDerWaalsContact O-OG1 3.07Å |
| 440 | A | 66.6 | Low | 68.7 | Low | 49 Ų | 49 | 112.9 Ų | 112.9 | 41% | 0.405 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.8 | -49.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K436 L437 C438 Q442 T443 E444 | K436-A440 WeakPolarHBondContact O-CB 3.27Å; K436-A440 PolarHBondContact O-N 3.4Å; L437-A440 PolarHBondContact O-N 2.84Å; C438-A440 VanDerWaalsContact C-N 3.34Å; C438-A440 PolarHBondContact O-N 3.13Å; A440-Q442 PolarHBondContact O-N 3.44Å; A440-T443 WeakPolarHBondContact CA-OG1 3.25Å; A440-T443 PolarHBondContact O-N 3.07Å; A440-T443 PolarHBondContact O-OG1 3.36Å; A440-E444 PolarHBondContact O-N 2.99Å; A440-E444 VanDerWaalsContact O-N 3.12Å |
| 441 | L | 65.9 | Low | 67.8 | Low | 102 Ų | 102 | 112.8 Ų | 112.8 | 53% | 0.534 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.9 | -34.8 | 174.4 | -70.8 | 166.1 | 0 | 0 | 0 | 111.9 | L437 C438 R445 | L437-L441 HydrophobicContact CG-CD1 4.4Å; L437-L441 WeakPolarHBondContact O-CG 3.42Å; L437-L441 PolarHBondContact O-N 3.08Å; C438-L441 PolarHBondContact O-N 2.8Å; L441-R445 VanDerWaalsContact O-CB 3.25Å; L441-R445 WeakPolarHBondContact O-CB 3.49Å; L441-R445 PolarHBondContact O-N 3.44Å; L441-R445 VanDerWaalsContact O-N 3.07Å |
| 442 | Q | 63.9 | Low | 66.9 | Low | 117 Ų | 117 | 111.2 Ų | 111.2 | 55% | 0.547 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -76.7 | -28.1 | -179.6 | -153.9 | 154.2 | 18.9 | 0 | 0 | 112.7 | C438 R439 A440 N446 | C438-Q442 VanDerWaalsContact O-CB 3.3Å; C438-Q442 WeakPolarHBondContact O-CB 3.39Å; C438-Q442 PolarHBondContact O-N 2.79Å; R439-Q442 PolarHBondContact O-N 3Å; A440-Q442 PolarHBondContact O-N 3.44Å; Q442-N446 WeakPolarHBondContact O-CB 3.37Å; Q442-N446 PolarHBondContact O-N 3.19Å; Q442-N446 PolarHBondContact O-ND2 3.3Å; Q442-N446 PolarHBondContact O-OD1 3.2Å |
| 443 | T | 67.8 | Low | 65.9 | Low | 82 Ų | 82 | 112.5 Ų | 112.5 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.8 | -47.8 | 167.3 | 30.2 | 0 | 0 | 0 | 0 | 112.8 | R439 A440 R445 N446 E447 | R439-T443 PolarHBondContact O-N 3.08Å; R439-T443 PolarHBondContact O-OG1 3.35Å; R439-T443 VanDerWaalsContact O-OG1 3.07Å; A440-T443 WeakPolarHBondContact CA-OG1 3.25Å; A440-T443 PolarHBondContact O-N 3.07Å; A440-T443 PolarHBondContact O-OG1 3.36Å; T443-R445 VanDerWaalsContact C-N 3.29Å; T443-R445 PolarHBondContact O-N 2.72Å; T443-N446 PolarHBondContact O-N 2.96Å; T443-N446 VanDerWaalsContact O-N 3.08Å; T443-E447 PolarHBondContact O-N 3.22Å |
| 444 | E | 62.3 | Low | 64.8 | Low | 127 Ų | 127 | 108.9 Ų | 108.9 | 59% | 0.593 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -56.7 | -45.4 | 175.4 | -74.8 | -171.2 | 124.3 | 0 | 0 | 111.5 | A440 N446 E447 L448 | A440-E444 PolarHBondContact O-N 2.99Å; A440-E444 VanDerWaalsContact O-N 3.12Å; E444-N446 VanDerWaalsContact C-N 3.25Å; E444-N446 PolarHBondContact O-N 3.29Å; E444-E447 PolarHBondContact O-N 3.12Å; E444-L448 WeakPolarHBondContact O-CB 3.34Å; E444-L448 WeakPolarHBondContact O-CG 3.45Å; E444-L448 PolarHBondContact O-N 3.43Å |
| 445 | R | 65.3 | Low | 63.5 | Low | 163 Ų | 163 | 110.7 Ų | 110.7 | 62% | 0.615 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.5 | -32.6 | 178 | -176.3 | -86.1 | -161.4 | 165.1 | 2.4 | 112.8 | L441 T443 N449 | L441-R445 VanDerWaalsContact O-CB 3.25Å; L441-R445 WeakPolarHBondContact O-CB 3.49Å; L441-R445 PolarHBondContact O-N 3.44Å; L441-R445 VanDerWaalsContact O-N 3.07Å; T443-R445 VanDerWaalsContact C-N 3.29Å; T443-R445 PolarHBondContact O-N 2.72Å; R445-N449 PolarHBondContact O-N 3.07Å |
| 446 | N | 64.6 | Low | 61.9 | Low | 81 Ų | 81 | 112.6 Ų | 112.6 | 43% | 0.433 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -81.7 | -42.5 | 177.7 | -70.6 | -6 | 0 | 0 | 0 | 112 | Q442 T443 E444 L448 N449 E450 | Q442-N446 WeakPolarHBondContact O-CB 3.37Å; Q442-N446 PolarHBondContact O-N 3.19Å; Q442-N446 PolarHBondContact O-ND2 3.3Å; Q442-N446 PolarHBondContact O-OD1 3.2Å; T443-N446 PolarHBondContact O-N 2.96Å; T443-N446 VanDerWaalsContact O-N 3.08Å; E444-N446 VanDerWaalsContact C-N 3.25Å; E444-N446 PolarHBondContact O-N 3.29Å; N446-L448 VanDerWaalsContact C-N 3.28Å; N446-L448 PolarHBondContact O-N 3.29Å; N446-N449 WeakPolarHBondContact O-CB 3.44Å; N446-N449 PolarHBondContact O-N 3.35Å; N446-E450 PolarHBondContact O-N 2.97Å |
| 447 | E | 62.5 | Low | 60.5 | Low | 111 Ų | 111 | 114.9 Ų | 114.9 | 52% | 0.519 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.8 | -35.7 | 175.3 | -77.8 | -166.1 | -160.3 | 0 | 0 | 113 | T443 E444 N449 K451 | T443-E447 PolarHBondContact O-N 3.22Å; E444-E447 PolarHBondContact O-N 3.12Å; E447-N449 VanDerWaalsContact C-N 3.35Å; E447-K451 VanDerWaalsContact O-CD 3.29Å; E447-K451 WeakPolarHBondContact O-CD 3.47Å; E447-K451 VanDerWaalsContact O-CG 3.28Å; E447-K451 WeakPolarHBondContact O-CG 3.37Å; E447-K451 PolarHBondContact O-N 3.16Å; E447-K451 IonicContact OE2-NZ 2.63Å; E447-K451 PolarHBondContact OE2-NZ 3.04Å; E447-K451 VanDerWaalsContact OE2-NZ 3.16Å |
| 448 | L | 59.1 | Low | 58.8 | Low | 115 Ų | 115 | 117.4 Ų | 117.4 | 60% | 0.602 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.6 | -37.6 | 173.1 | -74.8 | 168.6 | 0 | 0 | 0 | 111.7 | E444 N446 V452 | E444-L448 WeakPolarHBondContact O-CB 3.34Å; E444-L448 WeakPolarHBondContact O-CG 3.45Å; E444-L448 PolarHBondContact O-N 3.43Å; N446-L448 VanDerWaalsContact C-N 3.28Å; N446-L448 PolarHBondContact O-N 3.29Å; L448-V452 WeakPolarHBondContact O-CG2 3.29Å; L448-V452 PolarHBondContact O-N 3.35Å |
| 449 | N | 58.5 | Low | 56.8 | Low | 95 Ų | 95 | 120.3 Ų | 120.3 | 51% | 0.508 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -72.8 | -36.4 | -178.7 | -158.1 | 87.9 | 0 | 0 | 0 | 112.1 | R445 N446 E447 V452 E453 | R445-N449 PolarHBondContact O-N 3.07Å; N446-N449 WeakPolarHBondContact O-CB 3.44Å; N446-N449 PolarHBondContact O-N 3.35Å; E447-N449 VanDerWaalsContact C-N 3.35Å; N449-V452 WeakPolarHBondContact O-CB 3.49Å; N449-V452 PolarHBondContact O-N 2.92Å; N449-V452 VanDerWaalsContact O-N 3.16Å; N449-E453 PolarHBondContact O-N 3.26Å |
| 450 | E | 60.7 | Low | 54.6 | Low | 142 Ų | 142 | 117.4 Ų | 117.4 | 66% | 0.664 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.3 | -36.5 | 176.4 | -163.3 | 161.9 | -142.3 | 0 | 0 | 111.8 | N446 V452 E453 V454 | N446-E450 PolarHBondContact O-N 2.97Å; E450-V452 PolarHBondContact O-N 3.39Å; E450-E453 PolarHBondContact O-N 3.33Å; E450-V454 PolarHBondContact O-N 3.31Å |
| 451 | K | 58.5 | Low | 52.7 | Low | 123 Ų | 123 | 121.9 Ų | 121.9 | 54% | 0.535 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.1 | -19.8 | 170.8 | -70.8 | 162.8 | -170 | 148.4 | 0 | 113.6 | E447 | E447-K451 VanDerWaalsContact O-CD 3.29Å; E447-K451 WeakPolarHBondContact O-CD 3.47Å; E447-K451 VanDerWaalsContact O-CG 3.28Å; E447-K451 WeakPolarHBondContact O-CG 3.37Å; E447-K451 PolarHBondContact O-N 3.16Å; E447-K451 IonicContact OE2-NZ 2.63Å; E447-K451 PolarHBondContact OE2-NZ 3.04Å; E447-K451 VanDerWaalsContact OE2-NZ 3.16Å |
| 452 | V | 57.5 | Low | 50.8 | Low | 74 Ų | 74 | 126.1 Ų | 126.1 | 45% | 0.448 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -84.2 | -34.7 | 175.1 | 167 | 0 | 0 | 0 | 0 | 112.2 | L448 N449 E450 L455 | L448-V452 WeakPolarHBondContact O-CG2 3.29Å; L448-V452 PolarHBondContact O-N 3.35Å; N449-V452 WeakPolarHBondContact O-CB 3.49Å; N449-V452 PolarHBondContact O-N 2.92Å; N449-V452 VanDerWaalsContact O-N 3.16Å; E450-V452 PolarHBondContact O-N 3.39Å; V452-L455 PolarHBondContact O-N 3.11Å |
| 453 | E | 54.6 | Low | 48.8 | Very low | 109 Ų | 109 | 125.3 Ų | 125.3 | 51% | 0.509 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -72.2 | -33 | 178.1 | -68.1 | -63.7 | 111.1 | 0 | 0 | 112.4 | N449 E450 L455 K456 | N449-E453 PolarHBondContact O-N 3.26Å; E450-E453 PolarHBondContact O-N 3.33Å; E453-L455 PolarHBondContact O-N 3.16Å; E453-L455 VanDerWaalsContact O-N 3.16Å; E453-K456 PolarHBondContact O-N 3.39Å; E453-K456 VanDerWaalsContact O-N 3.11Å; E453-K456 WeakPolarHBondContact OE1-CD 3.28Å; E453-K456 IonicContact OE1-NZ 2.62Å; E453-K456 PolarHBondContact OE1-NZ 3.16Å |
| 454 | V | 53.8 | Low | 46.7 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 74% | 0.739 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -15.5 | 175.4 | 175.7 | 0 | 0 | 0 | 0 | 113.2 | E450 | E450-V454 PolarHBondContact O-N 3.31Š|
| 455 | L | 47.4 | Very low | 44.9 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 80% | 0.801 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 12.9 | 175.4 | -76.2 | 170.6 | 0 | 0 | 0 | 113.9 | V452 E453 | V452-L455 PolarHBondContact O-N 3.11Å; E453-L455 PolarHBondContact O-N 3.16Å; E453-L455 VanDerWaalsContact O-N 3.16Å |
| 456 | K | 41.2 | Very low | 43 | Very low | 129 Ų | 129 | 123.1 Ų | 123.1 | 56% | 0.561 | 67% | 0.672 | S | S | * | * | trans | -113.5 | 19.5 | -173.7 | -88.5 | -176.6 | -174.7 | 169.3 | 0 | 116 | E453 Q458 | E453-K456 PolarHBondContact O-N 3.39Å; E453-K456 VanDerWaalsContact O-N 3.11Å; E453-K456 WeakPolarHBondContact OE1-CD 3.28Å; E453-K456 IonicContact OE1-NZ 2.62Å; E453-K456 PolarHBondContact OE1-NZ 3.16Å; K456-Q458 PolarHBondContact O-N 3.29Å | ||
| 457 | E | 46.6 | Very low | 41.1 | Very low | 175 Ų | 175 | 126.1 Ų | 126.1 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -71.5 | 123.7 | 162.2 | -160 | 167.4 | -147.7 | 0 | 0 | 109 | ||
| 458 | Q | 35.1 | Very low | 39.4 | Very low | 167 Ų | 167 | 127.6 Ų | 127.6 | 78% | 0.78 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 86.4 | 151 | 177.7 | -45.7 | 169.3 | 35.8 | 0 | 0 | 118.2 | K456 | K456-Q458 PolarHBondContact O-N 3.29Š|
| 459 | V | 28.4 | Very low | 38 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | trans | 77.2 | 92.9 | 163.8 | -164.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 460 | S | 25.9 | Very low | 36.7 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | 57.8 | 139.5 | 116.4 | -134.5 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 461 | I | 26.8 | Very low | 35.8 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | trans | 86.6 | 113.2 | 144.1 | -79 | 162 | 0 | 0 | 0 | 122.2 | ||||
| 462 | K | 25.8 | Very low | 34.3 | Very low | 191 Ų | 191 | 125.8 Ų | 125.8 | 83% | 0.83 | 73% | 0.731 | S | S | * | * | trans | 53.8 | 142 | 140.4 | -65.2 | -176.8 | 178.1 | -179.1 | 0 | 124.2 | ||||
| 463 | A | 23.3 | Very low | 32.8 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | trans | 70.1 | 170.3 | 141.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 464 | A | 23.9 | Very low | 31.5 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | cis | -176.3 | 150.1 | -45.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 465 | D | 23.5 | Very low | 30.8 | Very low | 170 Ų | 170 | 132.5 Ų | 132.5 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | trans | 70.7 | 145.1 | 154.4 | -141 | -5 | 0 | 0 | 0 | 120.8 | ||||
| 466 | G | 25.9 | Very low | 29.8 | Very low | 65 Ų | 65 | 131.2 Ų | 131.2 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | trans | 63.7 | 168.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 467 | D | 23.3 | Very low | 29 | Very low | 144 Ų | 144 | 129.9 Ų | 129.9 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | cis | -166.7 | 164.4 | -35.2 | -155.7 | -4.1 | 0 | 0 | 0 | 109.7 | ||||
| 468 | L | 27.6 | Very low | 28 | Very low | 143 Ų | 143 | 125.2 Ų | 125.2 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | 64.5 | 161.6 | 161.7 | -103.3 | 71.5 | 0 | 0 | 0 | 117.3 | ||||
| 469 | V | 28.6 | Very low | 27.5 | Very low | 129 Ų | 129 | 124.6 Ų | 124.6 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | cis | -148.7 | 168 | -3.3 | 71.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 470 | S | 32.8 | Very low | 27.3 | Very low | 101 Ų | 101 | 124.5 Ų | 124.5 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -75.8 | -167.1 | 171.8 | -127.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 471 | P | 41.1 | Very low | 27.3 | Very low | 121 Ų | 121 | 123.8 Ų | 123.8 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | cis | -129.7 | -155.3 | 16.5 | 36.5 | -10.6 | 0 | 0 | 0 | 111.7 | ||||
| 472 | A | 26.7 | Very low | 27.5 | Very low | 85 Ų | 85 | 124.1 Ų | 124.1 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | cis | -157.7 | 166.7 | 11.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 473 | M | 25.8 | Very low | 27.8 | Very low | 165 Ų | 165 | 122.1 Ų | 122.1 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | 10.2 | 133.9 | 150.8 | -54.9 | -55.8 | 177.1 | 0 | 0 | 120.3 | ||||
| 474 | Q | 26.9 | Very low | 28.3 | Very low | 173 Ų | 173 | 123.1 Ų | 123.1 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | 61 | 154.8 | 69.7 | -103.3 | -159.3 | 14.5 | 0 | 0 | 115.2 | |||||
| 475 | P | 40.8 | Very low | 28.8 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | cis | -136.6 | -157.1 | -3.5 | 41.3 | -21.2 | 0 | 0 | 0 | 114.6 | ||||
| 476 | C | 25.9 | Very low | 29.2 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 85% | 0.851 | 73% | 0.725 | S | S | * | * | trans | -51.3 | 143 | 178.3 | -48.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 477 | A | 24.7 | Very low | 29.4 | Very low | 100 Ų | 100 | 125.6 Ų | 125.6 | 83% | 0.826 | 73% | 0.727 | S | S | * | * | trans | -174.6 | 169 | 140.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 478 | A | 25.4 | Very low | 30 | Very low | 77 Ų | 77 | 123.6 Ų | 123.6 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | cis | -180 | 156 | -43.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 479 | L | 24.9 | Very low | 30.3 | Very low | 155 Ų | 155 | 127.5 Ų | 127.5 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | trans | 61.8 | 176.8 | 162.1 | -56.9 | 160.2 | 0 | 0 | 0 | 114.3 | ||||
| 480 | D | 23.3 | Very low | 30.6 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 68% | 0.684 | 73% | 0.734 | S | S | * | * | cis | -139.6 | 151.6 | -42.2 | -118.3 | 1.1 | 0 | 0 | 0 | 107.8 | ||||
| 481 | S | 26.2 | Very low | 30.6 | Very low | 84 Ų | 84 | 131.3 Ų | 131.3 | 59% | 0.587 | 73% | 0.731 | S | S | * | * | 52 | 95.9 | 84.5 | -141.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 482 | L | 30.4 | Very low | 30.3 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | 103.4 | 178.8 | 89.8 | -169.5 | 71.9 | 0 | 0 | 0 | 109.5 | |||||
| 483 | K | 33.4 | Very low | 30.5 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 65% | 0.648 | 74% | 0.738 | S | S | * | * | trans | 86.1 | 136.3 | 160.3 | -62.4 | 176.8 | 164.3 | -90.7 | 0 | 116.1 | ||||
| 484 | E | 32.8 | Very low | 30.8 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 57% | 0.57 | 74% | 0.738 | S | S | * | * | cis | -151.6 | 165.4 | -5.8 | -132.5 | 149.2 | -169.8 | 0 | 0 | 116.6 | ||||
| 485 | M | 34.5 | Very low | 30.9 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 66% | 0.655 | 73% | 0.731 | S | S | * | * | trans | -16.2 | 155.7 | 152.4 | -57.9 | -175.2 | -76.1 | 0 | 0 | 117.4 | ||||
| 486 | N | 31.7 | Very low | 30.6 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 68% | 0.684 | 73% | 0.733 | S | S | * | * | -162.8 | 167.4 | 54.4 | -88.6 | -69.3 | 0 | 0 | 0 | 109.8 | |||||
| 487 | T | 30.1 | Very low | 30.8 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 71% | 0.712 | 73% | 0.734 | S | S | * | * | cis | -154.6 | 144.4 | 1.3 | 4.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 488 | S | 35.9 | Very low | 31.4 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | 47.2 | 130.9 | 88 | -132.2 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 489 | R | 35 | Very low | 31.7 | Very low | 226 Ų | 226 | 143.5 Ų | 143.5 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | cis | -138.2 | 157.1 | 18.6 | -70.6 | 173.9 | 175.6 | 166.4 | -1.9 | 110 | ||||
| 490 | R | 34.9 | Very low | 32.4 | Very low | 234 Ų | 234 | 140.1 Ų | 140.1 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | 56.9 | 137.9 | 67.4 | -108.3 | -174.4 | -175.6 | 178.5 | 2.3 | 113.5 | |||||
| 491 | A | 32.3 | Very low | 33 | Very low | 76 Ų | 76 | 143.1 Ų | 143.1 | 63% | 0.628 | 75% | 0.745 | S | S | * | * | cis | -153 | 144.9 | 7.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 492 | L | 35.6 | Very low | 33.4 | Very low | 170 Ų | 170 | 143 Ų | 143 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | 70.8 | 131.7 | 99.7 | -70.6 | 173.4 | 0 | 0 | 0 | 119 | |||||
| 493 | G | 29.6 | Very low | 33.7 | Very low | 73 Ų | 73 | 145.4 Ų | 145.4 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | 106.8 | 151 | 157.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 494 | M | 33.3 | Very low | 33.8 | Very low | 167 Ų | 167 | 142.6 Ų | 142.6 | 82% | 0.823 | 75% | 0.752 | S | S | * | * | cis | -172.4 | 161.4 | -39.3 | -116.3 | -68.9 | -96.8 | 0 | 0 | 109.7 | ||||
| 495 | H | 28.7 | Very low | 33.9 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 65% | 0.653 | 76% | 0.761 | S | S | * | * | trans | 64.7 | 145.5 | 177.7 | -99.2 | -109 | 0 | 0 | 0 | 117.2 | ||||
| 496 | L | 34.9 | Very low | 33.8 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | cis | 73.4 | 105 | 26.8 | -75.7 | 168.2 | 0 | 0 | 0 | 116.7 | ||||
| 497 | E | 30 | Very low | 34 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | -170.9 | 177.7 | 103.8 | -106.2 | -160.3 | 147.6 | 0 | 0 | 111.9 | |||||
| 498 | A | 36.6 | Very low | 34.3 | Very low | 92 Ų | 92 | 143.9 Ų | 143.9 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | trans | -129.8 | 151.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 499 | R | 32.5 | Very low | 34.4 | Very low | 237 Ų | 237 | 149.2 Ų | 149.2 | 89% | 0.894 | 76% | 0.758 | S | S | * | * | trans | -156.7 | 147.4 | 154.5 | -135.1 | 174.2 | -173.5 | 169.8 | 6.4 | 114.3 | ||||
| 500 | A | 38.2 | Very low | 34.4 | Very low | 85 Ų | 85 | 143.6 Ų | 143.6 | 70% | 0.702 | 75% | 0.754 | S | S | * | * | trans | -106.1 | 158 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 501 | K | 36.3 | Very low | 34.5 | Very low | 191 Ų | 191 | 137 Ų | 137 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | trans | 173 | 159 | 151.3 | -98.9 | 165.6 | -180 | -173.9 | 0 | 108.9 | ||||
| 502 | A | 33.8 | Very low | 34.5 | Very low | 81 Ų | 81 | 139.6 Ų | 139.6 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | cis | 179.2 | 173.1 | -31 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 503 | K | 38 | Very low | 34.5 | Very low | 200 Ų | 200 | 139.8 Ų | 139.8 | 87% | 0.87 | 75% | 0.754 | S | S | * | * | trans | 72.2 | 154.8 | 156.8 | -75.7 | -164.7 | 174.8 | -171.8 | 0 | 117.5 | ||||
| 504 | S | 34.6 | Very low | 35 | Very low | 89 Ų | 89 | 145.4 Ų | 145.4 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | cis | -176.3 | 177.6 | -15.5 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 505 | V | 35.5 | Very low | 36.4 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 76% | 0.758 | 75% | 0.754 | S | S | * | * | trans | 82.4 | 126.3 | 152.8 | 156.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 506 | S | 33.2 | Very low | 36.6 | Very low | 86 Ų | 86 | 141.7 Ų | 141.7 | 60% | 0.601 | 76% | 0.761 | S | S | * | * | 74.8 | 146.3 | 58.5 | -94.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 507 | E | 35.1 | Very low | 36.7 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 59% | 0.589 | 76% | 0.758 | S | S | * | * | cis | -172.7 | 167.1 | -4.6 | -129.5 | 172.1 | 115.4 | 0 | 0 | 110.3 | ||||
| 508 | R | 36.6 | Very low | 37 | Very low | 190 Ų | 190 | 136.4 Ų | 136.4 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | trans | 64.7 | 173.5 | 153.8 | -67.6 | 170.5 | -161.1 | -163.9 | 8.2 | 115.2 | ||||
| 509 | R | 37 | Very low | 36.9 | Very low | 213 Ų | 213 | 135.7 Ų | 135.7 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | cis | -159.9 | 172.6 | -21.4 | -112.8 | 179.7 | -178.8 | -166.8 | -0.5 | 106.6 | ||||
| 510 | S | 35.6 | Very low | 37.2 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | cis | -158.5 | 179.6 | -2.2 | 31.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 511 | A | 36.6 | Very low | 37.3 | Very low | 96 Ų | 96 | 131 Ų | 131 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | trans | -90.4 | 157.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 512 | T | 33.9 | Very low | 37.8 | Very low | 130 Ų | 130 | 132 Ų | 132 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | trans | -164.6 | 154.8 | 163.5 | 23.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 513 | Q | 34.9 | Very low | 38 | Very low | 175 Ų | 175 | 131.3 Ų | 131.3 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | cis | -153.4 | 163.9 | -15.5 | -169.5 | 164.3 | -17.7 | 0 | 0 | 109.7 | ||||
| 514 | K | 39.5 | Very low | 38.2 | Very low | 191 Ų | 191 | 128.9 Ų | 128.9 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | -160 | 176.9 | 174.1 | -113.6 | -171.2 | 178.3 | -177.1 | 0 | 107.4 | ||||
| 515 | P | 62.9 | Low | 38.6 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | cis | -128.7 | 175 | -30.2 | 38.5 | -24 | 0 | 0 | 0 | 112.5 | ||||
| 516 | S | 33.2 | Very low | 39.1 | Very low | 116 Ų | 116 | 132 Ų | 132 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | -148 | -170.4 | 159.6 | 63.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 517 | S | 37.9 | Very low | 39.8 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | -177.3 | 158.5 | -119.7 | 49.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 518 | S | 35 | Very low | 40.5 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | 64.5 | 147.5 | -176.6 | 74.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 519 | G | 34.7 | Very low | 40.7 | Very low | 76 Ų | 76 | 136.2 Ų | 136.2 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | cis | 119 | 107.8 | -9.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 520 | S | 38.6 | Very low | 40.8 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -157.3 | 155.6 | 163.4 | -167.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 521 | A | 40.8 | Very low | 41.1 | Very low | 93 Ų | 93 | 133.5 Ų | 133.5 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -135.2 | 140.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 522 | K | 47.5 | Very low | 41.4 | Very low | 212 Ų | 212 | 135.7 Ų | 135.7 | 92% | 0.922 | 82% | 0.817 | S | S | * | * | trans | -152 | 142.3 | 155.1 | -71.6 | -172.9 | 177.3 | -178.1 | 0 | 106.5 | ||||
| 523 | G | 37.4 | Very low | 41.9 | Very low | 67 Ų | 67 | 136.1 Ų | 136.1 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | cis | 117.8 | 129.7 | -4.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 524 | I | 42.3 | Very low | 42.3 | Very low | 149 Ų | 149 | 133.5 Ų | 133.5 | 76% | 0.764 | 82% | 0.819 | S | S | * | * | trans | 81.5 | 113 | 159 | -65.3 | 170.2 | 0 | 0 | 0 | 117 | ||||
| 525 | E | 43.2 | Very low | 42.5 | Very low | 178 Ų | 178 | 129.4 Ų | 129.4 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | 61.3 | 165.4 | 140.3 | -76.5 | 160.4 | -150.4 | 0 | 0 | 120.9 | ||||
| 526 | S | 46 | Very low | 41 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 71% | 0.706 | 82% | 0.824 | S | S | * | * | cis | -157.8 | -179.1 | -25.6 | -169.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 527 | V | 47.3 | Very low | 41.6 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 73% | 0.733 | 83% | 0.825 | S | S | * | * | trans | -38.6 | 125.8 | 159.1 | 176.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 528 | D | 48.7 | Very low | 42 | Very low | 234 Ų | 234 | 134.9 Ų | 134.9 | 100% | 1.251 | 84% | 0.838 | S | S | * | * | -147.2 | 0 | 107.4 | -89.8 | -32.3 | 0 | 0 | 0 | 109 |
Retrieved 528 of 528 residues in 97.6 ms
(Link to these results)