| 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 | 31.9 | Very low | 33.5 | Very low | 249 Ų | 249 | 170.5 Ų | 170.5 | 100% | 1.227 | 88% | 0.878 | S | S | * | * | 0 | 171.8 | 0 | -77.9 | 177.5 | 168.4 | 0 | 0 | 109.8 | |||||
| 2 | R | 32.9 | Very low | 33.2 | Very low | 240 Ų | 240 | 166.7 Ų | 166.7 | 91% | 0.906 | 88% | 0.877 | S | S | * | * | trans | -28.4 | 130.9 | -178.9 | -58.9 | 170.9 | -179.4 | -178.2 | -1.5 | 115.1 | ||||
| 3 | R | 38.1 | Very low | 32.8 | Very low | 236 Ų | 236 | 162.8 Ų | 162.8 | 89% | 0.891 | 87% | 0.87 | S | S | * | * | 54.6 | 122.8 | 72.3 | -74.8 | -165.5 | 177.4 | -170.5 | 2.1 | 113.3 | |||||
| 4 | V | 37.6 | Very low | 32.6 | Very low | 142 Ų | 142 | 164.2 Ų | 164.2 | 86% | 0.861 | 87% | 0.869 | S | S | * | * | 174.2 | 153.5 | 94.6 | 152.4 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 5 | S | 38.2 | Very low | 32.3 | Very low | 112 Ų | 112 | 161.3 Ų | 161.3 | 78% | 0.783 | 87% | 0.865 | S | S | * | * | cis | -179.8 | 157.2 | -16.9 | 175.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 6 | G | 30.2 | Very low | 32.2 | Very low | 64 Ų | 64 | 157.3 Ų | 157.3 | 66% | 0.66 | 86% | 0.861 | S | S | * | * | cis | 154.1 | -150.8 | 2.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 7 | R | 32.8 | Very low | 32.1 | Very low | 255 Ų | 255 | 163.1 Ų | 163.1 | 96% | 0.962 | 87% | 0.867 | S | S | * | * | trans | 80.6 | 153 | 179.6 | -62.5 | -168.3 | 179.2 | -126.6 | -1.2 | 117.9 | ||||
| 8 | R | 34.3 | Very low | 32 | Very low | 243 Ų | 243 | 159.8 Ų | 159.8 | 92% | 0.917 | 87% | 0.867 | S | S | * | * | trans | -127 | 161 | -172.3 | -29.7 | 169.6 | -172.2 | 175.8 | 0.2 | 109.8 | ||||
| 9 | V | 31.4 | Very low | 31.8 | Very low | 146 Ų | 146 | 155.5 Ų | 155.5 | 89% | 0.885 | 86% | 0.863 | S | S | * | * | trans | -141.8 | 152 | 144.1 | 175.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 10 | S | 31.2 | Very low | 32 | Very low | 116 Ų | 116 | 159.1 Ų | 159.1 | 81% | 0.811 | 86% | 0.863 | S | S | * | * | trans | -106.4 | 154.7 | 176.6 | -170.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 11 | G | 30.5 | Very low | 32.5 | Very low | 73 Ų | 73 | 157.8 Ų | 157.8 | 75% | 0.753 | 86% | 0.863 | S | S | * | * | trans | -111.5 | 134.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 12 | S | 29.3 | Very low | 32.5 | Very low | 124 Ų | 124 | 152.8 Ų | 152.8 | 87% | 0.867 | 84% | 0.84 | S | S | * | * | trans | -138.9 | 151.2 | 175.1 | -170.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 13 | C | 28.8 | Very low | 32.4 | Very low | 117 Ų | 117 | 153.3 Ų | 153.3 | 79% | 0.791 | 84% | 0.842 | S | S | * | * | trans | -80.6 | 149.9 | -174.4 | -56.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 14 | Q | 29.5 | Very low | 32 | Very low | 182 Ų | 182 | 146.4 Ų | 146.4 | 85% | 0.85 | 84% | 0.835 | S | S | * | * | trans | -166 | 142.6 | 150.1 | -117.7 | 179.1 | 82.8 | 0 | 0 | 115.7 | ||||
| 15 | C | 27.8 | Very low | 31.7 | Very low | 120 Ų | 120 | 147 Ų | 147 | 81% | 0.811 | 84% | 0.838 | S | S | * | * | trans | 66 | 158.7 | 146 | -70.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 16 | A | 30.9 | Very low | 31.4 | Very low | 97 Ų | 97 | 153.1 Ų | 153.1 | 80% | 0.802 | 84% | 0.844 | S | S | * | * | trans | -135.9 | 164.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 17 | R | 29.9 | Very low | 32.3 | Very low | 256 Ų | 256 | 155.6 Ų | 155.6 | 97% | 0.966 | 85% | 0.849 | S | S | * | * | trans | -154.1 | 151.3 | 158.9 | -122.6 | 177.2 | -171.7 | -149.2 | 0.2 | 116.1 | ||||
| 18 | A | 31.3 | Very low | 32.1 | Very low | 105 Ų | 105 | 155.4 Ų | 155.4 | 87% | 0.868 | 85% | 0.848 | S | S | * | * | trans | -63 | 162.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 19 | G | 28.5 | Very low | 32 | Very low | 77 Ų | 77 | 152.9 Ų | 152.9 | 79% | 0.794 | 85% | 0.846 | S | S | * | * | trans | -165 | 122.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 20 | R | 34.8 | Very low | 32 | Very low | 227 Ų | 227 | 152.7 Ų | 152.7 | 86% | 0.857 | 85% | 0.845 | S | S | * | * | trans | -125.1 | 153.3 | 169.1 | -82.7 | -167.6 | 178.1 | -162.8 | 2 | 109.5 | ||||
| 21 | P | 43.7 | Very low | 32.2 | Very low | 132 Ų | 132 | 153.9 Ų | 153.9 | 86% | 0.857 | 85% | 0.848 | S | S | * | * | -132.1 | -173.9 | 126 | 35.5 | -24.4 | 0 | 0 | 0 | 113.1 | |||||
| 22 | I | 32.1 | Very low | 32.2 | Very low | 145 Ų | 145 | 154.2 Ų | 154.2 | 74% | 0.744 | 85% | 0.852 | S | S | * | * | trans | -133.1 | 139.6 | -161.4 | -60.9 | 161.8 | 0 | 0 | 0 | 111.3 | ||||
| 23 | R | 29.3 | Very low | 32.2 | Very low | 251 Ų | 251 | 154.4 Ų | 154.4 | 95% | 0.947 | 85% | 0.853 | S | S | * | * | trans | -160.1 | 162.4 | 143.2 | -117.8 | 173.3 | -179.1 | 173.5 | 0.5 | 112.1 | ||||
| 24 | A | 30.7 | Very low | 32.3 | Very low | 91 Ų | 91 | 153.7 Ų | 153.7 | 75% | 0.752 | 86% | 0.855 | S | S | * | * | trans | -142.1 | 157.4 | -164.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 25 | V | 30.4 | Very low | 32.4 | Very low | 153 Ų | 153 | 153.7 Ų | 153.7 | 93% | 0.927 | 86% | 0.86 | S | S | * | * | trans | -138.9 | 162.2 | 168.1 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 26 | R | 32.2 | Very low | 32.6 | Very low | 241 Ų | 241 | 158.4 Ų | 158.4 | 91% | 0.909 | 86% | 0.861 | S | S | * | * | trans | -90.6 | 170.7 | -163.6 | -97.1 | -172 | 178.2 | -177.4 | 0.4 | 115.9 | ||||
| 27 | P | 48.5 | Very low | 32.6 | Very low | 117 Ų | 117 | 163.8 Ų | 163.8 | 76% | 0.76 | 86% | 0.86 | S | S | * | * | trans | -104.2 | 179.8 | -162.2 | 41.8 | -38.7 | 0 | 0 | 0 | 115.5 | ||||
| 28 | R | 29.6 | Very low | 32.6 | Very low | 250 Ų | 250 | 160.4 Ų | 160.4 | 94% | 0.943 | 86% | 0.855 | S | S | * | * | trans | -154.4 | 153.8 | 152 | -108.6 | 169.2 | -174.1 | -174.1 | -0.2 | 111.7 | ||||
| 29 | H | 32.3 | Very low | 32.5 | Very low | 190 Ų | 190 | 162.2 Ų | 162.2 | 88% | 0.88 | 86% | 0.855 | S | S | * | * | trans | -75.9 | 158.6 | 175.4 | -79.1 | -116 | 0 | 0 | 0 | 112.6 | ||||
| 30 | V | 31.5 | Very low | 32.7 | Very low | 143 Ų | 143 | 164.2 Ų | 164.2 | 87% | 0.867 | 85% | 0.852 | S | S | * | * | -160.5 | 161.1 | 128.2 | 134.8 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 31 | T | 34.4 | Very low | 32.8 | Very low | 140 Ų | 140 | 159.3 Ų | 159.3 | 86% | 0.859 | 85% | 0.849 | S | S | * | * | trans | -83.6 | 167.7 | -175.3 | 48 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 32 | G | 30.2 | Very low | 32.1 | Very low | 81 Ų | 81 | 160 Ų | 160 | 84% | 0.835 | 85% | 0.851 | S | S | * | * | trans | 157.2 | 112.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 33 | S | 30.2 | Very low | 32 | Very low | 128 Ų | 128 | 163 Ų | 163 | 90% | 0.895 | 85% | 0.853 | S | S | * | * | trans | -87.4 | 128.9 | 174.5 | 43.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 34 | A | 31.2 | Very low | 32 | Very low | 101 Ų | 101 | 156.6 Ų | 156.6 | 84% | 0.835 | 85% | 0.847 | S | S | * | * | trans | -171.7 | 115 | 152.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 35 | L | 30.8 | Very low | 32 | Very low | 182 Ų | 182 | 160.6 Ų | 160.6 | 95% | 0.953 | 85% | 0.854 | S | S | * | * | trans | -154.7 | 114.2 | 155.1 | -163.5 | 73.4 | 0 | 0 | 0 | 109.8 | ||||
| 36 | R | 31.8 | Very low | 31.9 | Very low | 219 Ų | 219 | 159.7 Ų | 159.7 | 83% | 0.826 | 85% | 0.854 | S | S | * | * | trans | -159.7 | 148.8 | 174.2 | -156.4 | -166 | -100.6 | -123.4 | 7.3 | 111.1 | ||||
| 37 | R | 32.3 | Very low | 31.7 | Very low | 211 Ų | 211 | 160 Ų | 160 | 80% | 0.796 | 86% | 0.855 | S | S | * | * | trans | 72.7 | 115.1 | 171.6 | -43.4 | -177.2 | -168.5 | -141.9 | -0.6 | 112.8 | ||||
| 38 | H | 29.1 | Very low | 30.8 | Very low | 185 Ų | 185 | 159.9 Ų | 159.9 | 86% | 0.856 | 86% | 0.857 | S | S | * | * | -136.7 | 127.9 | 68.4 | -91.8 | -96.3 | 0 | 0 | 0 | 114.2 | |||||
| 39 | V | 29.8 | Very low | 31.2 | Very low | 142 Ų | 142 | 154 Ų | 154 | 86% | 0.861 | 85% | 0.851 | S | S | * | * | trans | -142.7 | 138.3 | 160.1 | 176.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 40 | T | 31.6 | Very low | 31.1 | Very low | 120 Ų | 120 | 156.9 Ų | 156.9 | 74% | 0.736 | 85% | 0.854 | S | S | * | * | trans | -109.5 | 125 | -178.8 | 45.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 41 | P | 36.4 | Very low | 31.2 | Very low | 123 Ų | 123 | 161.9 Ų | 161.9 | 80% | 0.799 | 86% | 0.857 | S | S | * | * | trans | -89.3 | 145.3 | 172 | 34.4 | -32.2 | 0 | 0 | 0 | 111.9 | ||||
| 42 | V | 29.3 | Very low | 31.2 | Very low | 148 Ų | 148 | 160.9 Ų | 160.9 | 90% | 0.897 | 85% | 0.853 | S | S | * | * | trans | -124.6 | 127.9 | 162 | 176.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 43 | R | 31.4 | Very low | 31.4 | Very low | 207 Ų | 207 | 165 Ų | 165 | 78% | 0.781 | 86% | 0.855 | S | S | * | * | trans | -137.7 | 152.9 | -176.1 | -148.1 | 179.1 | -171.4 | -167.7 | 2.5 | 109.6 | ||||
| 44 | S | 28 | Very low | 31.9 | Very low | 116 Ų | 116 | 164.1 Ų | 164.1 | 81% | 0.811 | 85% | 0.847 | S | S | * | * | trans | 72.3 | 112.9 | 175.2 | 76.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 45 | L | 30.2 | Very low | 32.7 | Very low | 175 Ų | 175 | 165 Ų | 165 | 92% | 0.916 | 84% | 0.844 | S | S | * | * | trans | -163.4 | 94.6 | 146.7 | -118.3 | 173.4 | 0 | 0 | 0 | 108.5 | ||||
| 46 | C | 28.5 | Very low | 32.9 | Very low | 135 Ų | 135 | 164.5 Ų | 164.5 | 91% | 0.912 | 84% | 0.842 | S | S | * | * | trans | 170.6 | 102.2 | 157.6 | -102.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 47 | R | 29.1 | Very low | 33.1 | Very low | 246 Ų | 246 | 158.4 Ų | 158.4 | 93% | 0.928 | 84% | 0.838 | S | S | * | * | trans | -153.5 | 114.4 | 161.7 | -157.7 | 177.6 | -165.2 | -179 | 6.3 | 108.8 | ||||
| 48 | S | 29.4 | Very low | 33.5 | Very low | 115 Ų | 115 | 154.1 Ų | 154.1 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -73 | 148.3 | -171.9 | -56.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 49 | P | 37.8 | Very low | 34.3 | Very low | 127 Ų | 127 | 151.1 Ų | 151.1 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 147.3 | -174.5 | 33.1 | -35.6 | 0 | 0 | 0 | 113.5 | ||
| 50 | R | 29.3 | Very low | 34.4 | Very low | 251 Ų | 251 | 149.3 Ų | 149.3 | 95% | 0.947 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 141.3 | 159.3 | -74.6 | -174.2 | 172.3 | -167.5 | -2.2 | 109.5 | ||
| 51 | R | 33.7 | Very low | 34.3 | Very low | 247 Ų | 247 | 148.4 Ų | 148.4 | 93% | 0.932 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 147.5 | 171.2 | -82.5 | -174.9 | 174.1 | 178.3 | -1.1 | 111.3 | ||
| 52 | P | 35.6 | Very low | 34.1 | Very low | 119 Ų | 119 | 147.8 Ų | 147.8 | 77% | 0.773 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 161.9 | 168.1 | 36.6 | -34.1 | 0 | 0 | 0 | 112.5 | ||
| 53 | L | 34.1 | Very low | 34 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 88% | 0.88 | 84% | 0.841 | S | S | * | * | trans | -133.3 | 155.8 | 162.2 | -91.7 | 160.6 | 0 | 0 | 0 | 108.1 | ||||
| 54 | P | 40.9 | Very low | 34 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 71% | 0.714 | 85% | 0.847 | S | S | * | * | trans | -81.8 | 163.3 | -162 | 33.3 | -37.3 | 0 | 0 | 0 | 114.2 | ||||
| 55 | P | 48.3 | Very low | 34.9 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 77% | 0.766 | 84% | 0.841 | S | S | * | * | trans | -85.1 | 137.9 | 175.6 | 34.4 | -33 | 0 | 0 | 0 | 112.4 | ||||
| 56 | D | 34.1 | Very low | 34.9 | Very low | 172 Ų | 172 | 147.7 Ų | 147.7 | 92% | 0.92 | 84% | 0.842 | S | S | * | * | trans | -161.8 | 140.1 | 138.2 | -102.8 | -32 | 0 | 0 | 0 | 109 | ||||
| 57 | A | 37 | Very low | 35 | Very low | 91 Ų | 91 | 148.4 Ų | 148.4 | 75% | 0.752 | 84% | 0.836 | S | S | * | * | trans | -152 | 142.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 58 | P | 40.7 | Very low | 35.1 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 79% | 0.786 | 84% | 0.837 | S | S | * | * | -153 | -175.3 | 102.4 | 40.9 | -24.1 | 0 | 0 | 0 | 113.7 | |||||
| 59 | P | 44.8 | Very low | 35.2 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 79% | 0.792 | 84% | 0.838 | S | S | * | * | -122.3 | -178.1 | -53.4 | 36.9 | -23.1 | 0 | 0 | 0 | 111.2 | |||||
| 60 | A | 32.5 | Very low | 34.7 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 87% | 0.868 | 84% | 0.836 | S | S | * | * | trans | -68 | 146.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 61 | A | 28.8 | Very low | 34.7 | Very low | 101 Ų | 101 | 136.6 Ų | 136.6 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | trans | -122.5 | 126.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 62 | A | 32.4 | Very low | 34.5 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | -82.7 | 139.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 63 | A | 28.4 | Very low | 34.2 | Very low | 98 Ų | 98 | 127.1 Ų | 127.1 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | trans | -131.9 | 112.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 64 | Q | 31.3 | Very low | 33.9 | Very low | 193 Ų | 193 | 122.8 Ų | 122.8 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | trans | -131.3 | 153.3 | 153.3 | -83.7 | -158.6 | 4.8 | 0 | 0 | 109.1 | ||||
| 65 | P | 45.8 | Very low | 33.3 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 70% | 0.695 | 84% | 0.843 | S | S | * | * | trans | -106.1 | 144.1 | -149.5 | 37.2 | -31.3 | 0 | 0 | 0 | 113.6 | ||||
| 66 | W | 30.6 | Very low | 32.5 | Very low | 245 Ų | 245 | 122.7 Ų | 122.7 | 93% | 0.928 | 85% | 0.849 | S | S | * | * | trans | -140.9 | 153.2 | 158.3 | -82.7 | 102.8 | 0 | 0 | 0 | 112.3 | ||||
| 67 | L | 30.5 | Very low | 32.4 | Very low | 151 Ų | 151 | 118.2 Ų | 118.2 | 79% | 0.791 | 84% | 0.843 | S | S | * | * | trans | -71.6 | 150.9 | -171.6 | -61.8 | 153.3 | 0 | 0 | 0 | 112.7 | ||||
| 68 | L | 30.9 | Very low | 32.2 | Very low | 181 Ų | 181 | 119 Ų | 119 | 95% | 0.948 | 85% | 0.85 | S | S | * | * | -161.9 | 164.4 | 128.9 | -109.2 | 167.4 | 0 | 0 | 0 | 111.1 | |||||
| 69 | A | 31.4 | Very low | 31.7 | Very low | 101 Ų | 101 | 122.8 Ų | 122.8 | 84% | 0.835 | 86% | 0.859 | S | S | * | * | trans | -120.3 | 161.3 | -161.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 70 | G | 27.1 | Very low | 31.1 | Very low | 75 Ų | 75 | 122 Ų | 122 | 77% | 0.773 | 86% | 0.863 | S | S | * | * | trans | 136.2 | 152.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 71 | S | 28.9 | Very low | 31 | Very low | 133 Ų | 133 | 123.1 Ų | 123.1 | 93% | 0.93 | 86% | 0.864 | S | S | * | * | cis | -166.2 | 152.3 | -15 | -172.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 72 | G | 29.5 | Very low | 31 | Very low | 78 Ų | 78 | 121.6 Ų | 121.6 | 80% | 0.804 | 86% | 0.858 | S | S | * | * | trans | 109.6 | 137.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 73 | G | 29.2 | Very low | 30.8 | Very low | 89 Ų | 89 | 120.4 Ų | 120.4 | 92% | 0.918 | 86% | 0.857 | S | S | * | * | cis | 130.7 | 90.3 | 0.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 74 | G | 28.8 | Very low | 30.8 | Very low | 77 Ų | 77 | 119.8 Ų | 119.8 | 79% | 0.794 | 86% | 0.86 | S | S | * | * | trans | -166.1 | 129.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 75 | C | 29 | Very low | 30.8 | Very low | 142 Ų | 142 | 114.8 Ų | 114.8 | 96% | 0.959 | 86% | 0.86 | S | S | * | * | trans | -112.3 | 157.2 | -171.3 | -60 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 76 | G | 31.1 | Very low | 30 | Very low | 85 Ų | 85 | 113.5 Ų | 113.5 | 88% | 0.876 | 87% | 0.866 | S | S | * | * | trans | 107 | 140.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 77 | G | 31.1 | Very low | 30 | Very low | 78 Ų | 78 | 109.5 Ų | 109.5 | 80% | 0.804 | 86% | 0.863 | S | S | * | * | cis | -177.8 | 141.5 | -5.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 78 | A | 32.9 | Very low | 30.2 | Very low | 108 Ų | 108 | 109.1 Ų | 109.1 | 89% | 0.893 | 87% | 0.867 | S | S | * | * | trans | -78.2 | 137.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 79 | M | 30.3 | Very low | 30.1 | Very low | 200 Ų | 200 | 103.8 Ų | 103.8 | 99% | 0.985 | 86% | 0.856 | S | S | * | * | trans | -140.4 | 146.9 | 157.2 | -97.1 | -167.8 | 175.2 | 0 | 0 | 109.5 | ||||
| 80 | A | 32.3 | Very low | 30 | Very low | 104 Ų | 104 | 104.3 Ų | 104.3 | 86% | 0.86 | 86% | 0.861 | S | S | * | * | trans | -126.6 | 130.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 81 | S | 30.5 | Very low | 30.1 | Very low | 129 Ų | 129 | 104.5 Ų | 104.5 | 90% | 0.902 | 86% | 0.862 | S | S | * | * | trans | -172 | 148 | 162 | -159.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 82 | G | 28.8 | Very low | 30.2 | Very low | 69 Ų | 69 | 103.2 Ų | 103.2 | 71% | 0.711 | 86% | 0.86 | S | S | * | * | cis | 149.2 | 119.4 | -7.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 83 | G | 28.4 | Very low | 30.2 | Very low | 85 Ų | 85 | 102.8 Ų | 102.8 | 88% | 0.876 | 86% | 0.855 | S | S | * | * | trans | 93.8 | 153.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 84 | G | 29.4 | Very low | 30.6 | Very low | 85 Ų | 85 | 104.8 Ų | 104.8 | 88% | 0.876 | 85% | 0.852 | S | S | * | * | trans | 91.3 | 114.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 85 | G | 29.9 | Very low | 30.7 | Very low | 88 Ų | 88 | 104.7 Ų | 104.7 | 91% | 0.907 | 85% | 0.851 | S | S | * | * | cis | 111.1 | 81.4 | -4.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 86 | G | 29.9 | Very low | 31.1 | Very low | 80 Ų | 80 | 107.1 Ų | 107.1 | 83% | 0.825 | 85% | 0.851 | S | S | * | * | trans | -164.5 | 136.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 87 | N | 30.6 | Very low | 31 | Very low | 161 Ų | 161 | 106.2 Ų | 106.2 | 86% | 0.861 | 84% | 0.842 | S | S | * | * | trans | -147.7 | 98.5 | -166.2 | -176.8 | 94 | 0 | 0 | 0 | 113.1 | ||||
| 88 | T | 35 | Very low | 31.1 | Very low | 143 Ų | 143 | 111.4 Ų | 111.4 | 88% | 0.877 | 85% | 0.85 | S | S | * | * | trans | -154.9 | 144.5 | 169.4 | 47.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 89 | G | 28.7 | Very low | 31 | Very low | 69 Ų | 69 | 111.3 Ų | 111.3 | 71% | 0.711 | 84% | 0.843 | S | S | * | * | cis | 146.3 | 115 | -1.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 90 | A | 29.3 | Very low | 31.2 | Very low | 113 Ų | 113 | 110.4 Ų | 110.4 | 93% | 0.934 | 84% | 0.841 | S | S | * | * | trans | 62 | 157.6 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 91 | G | 28.4 | Very low | 31.2 | Very low | 78 Ų | 78 | 108.3 Ų | 108.3 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | cis | 160.6 | 119.6 | -10.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 92 | A | 30.4 | Very low | 31.5 | Very low | 106 Ų | 106 | 110.6 Ų | 110.6 | 88% | 0.876 | 83% | 0.831 | S | S | * | * | trans | -145.9 | 137.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 93 | G | 30.2 | Very low | 31.7 | Very low | 69 Ų | 69 | 110.7 Ų | 110.7 | 71% | 0.711 | 83% | 0.832 | S | S | * | * | trans | -84.2 | 174.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 94 | P | 38.3 | Very low | 32 | Very low | 131 Ų | 131 | 115.1 Ų | 115.1 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | trans | -85 | 118.7 | -166.8 | 31.9 | -34.2 | 0 | 0 | 0 | 113.8 | ||||
| 95 | G | 30 | Very low | 32.5 | Very low | 75 Ų | 75 | 114.7 Ų | 114.7 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | trans | -92.5 | 117.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | G97 | G95-G97 PolarHBondContact O-N 3.27Å; G95-G97 VanDerWaalsContact O-N 3.08Å | ||
| 96 | M | 37.1 | Very low | 32.7 | Very low | 193 Ų | 193 | 118.9 Ų | 118.9 | 95% | 0.951 | 83% | 0.831 | S | S | * | * | trans | -79.1 | 87.5 | 178.5 | -73 | -170.7 | 175.6 | 0 | 0 | 111.8 | ||||
| 97 | G | 28.9 | Very low | 33.4 | Very low | 67 Ų | 67 | 120.8 Ų | 120.8 | 69% | 0.691 | 83% | 0.832 | S | S | * | * | trans | -103.9 | 103.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G95 S99 | G95-G97 PolarHBondContact O-N 3.27Å; G95-G97 VanDerWaalsContact O-N 3.08Å; G97-S99 PolarHBondContact O-N 3.29Å | ||
| 98 | L | 33.7 | Very low | 34 | Very low | 186 Ų | 186 | 118.3 Ų | 118.3 | 97% | 0.974 | 82% | 0.818 | S | S | * | * | trans | -78.1 | 64 | 174.9 | -74.7 | 174.4 | 0 | 0 | 0 | 112 | ||||
| 99 | S | 30.9 | Very low | 34.7 | Very low | 106 Ų | 106 | 114.7 Ų | 114.7 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | -94.8 | 110.1 | 169.2 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | G97 G101 | G97-S99 PolarHBondContact O-N 3.29Å; S99-G101 PolarHBondContact O-N 3.37Å | ||
| 100 | L | 34.3 | Very low | 35.5 | Very low | 181 Ų | 181 | 119.2 Ų | 119.2 | 95% | 0.948 | 81% | 0.814 | S | S | * | * | trans | -80.8 | 51 | 172.9 | -87 | 164.2 | 0 | 0 | 0 | 111.6 | L102 | L100-L102 PolarHBondContact O-N 3.39Š| ||
| 101 | G | 33.2 | Very low | 36.2 | Very low | 61 Ų | 61 | 116.6 Ų | 116.6 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | trans | -74.5 | 106.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S99 G103 | S99-G101 PolarHBondContact O-N 3.37Å; G101-G103 VanDerWaalsContact C-N 3.35Å; G101-G103 PolarHBondContact O-N 2.92Å | ||
| 102 | L | 37 | Very low | 37.2 | Very low | 176 Ų | 176 | 117.1 Ų | 117.1 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | trans | -74.3 | 85.4 | 171.5 | -83.4 | 167.5 | 0 | 0 | 0 | 110.6 | L100 L104 | L100-L102 PolarHBondContact O-N 3.39Å; L102-L104 PolarHBondContact O-N 3.32Å | ||
| 103 | G | 31.8 | Very low | 38.3 | Very low | 72 Ų | 72 | 114.8 Ų | 114.8 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | trans | -70.4 | 121.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | G101 | G101-G103 VanDerWaalsContact C-N 3.35Å; G101-G103 PolarHBondContact O-N 2.92Å | ||
| 104 | L | 35.8 | Very low | 39.5 | Very low | 178 Ų | 178 | 116.1 Ų | 116.1 | 93% | 0.932 | 75% | 0.745 | S | S | * | * | trans | -127.4 | 84.3 | 158.3 | -80.1 | 175.4 | 0 | 0 | 0 | 108.5 | L102 | L102-L104 PolarHBondContact O-N 3.32Š| ||
| 105 | G | 38.1 | Very low | 40.6 | Very low | 76 Ų | 76 | 112.9 Ų | 112.9 | 78% | 0.784 | 73% | 0.726 | S | S | * | * | trans | -84 | 130.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 106 | L | 35 | Very low | 42.3 | Very low | 176 Ų | 176 | 114.8 Ų | 114.8 | 92% | 0.921 | 72% | 0.715 | S | S | * | * | trans | -136.4 | 149.9 | 157 | -81.7 | 174.7 | 0 | 0 | 0 | 108.5 | L108 | L106-L108 PolarHBondContact O-N 3.17Š| ||
| 107 | S | 44 | Very low | 44.1 | Very low | 120 Ų | 120 | 108.2 Ų | 108.2 | 84% | 0.839 | 69% | 0.691 | S | S | * | * | trans | -74.9 | 120.3 | -164.4 | -53 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 108 | L | 43.1 | Very low | 46.3 | Very low | 108 Ų | 108 | 112.3 Ų | 112.3 | 57% | 0.565 | 69% | 0.692 | S | S | * | * | trans | -140 | 18.3 | 164.1 | -140.4 | 77.8 | 0 | 0 | 0 | 114.3 | L106 M110 S111 E112 | L106-L108 PolarHBondContact O-N 3.17Å; L108-M110 PolarHBondContact O-N 3.24Å; L108-S111 PolarHBondContact O-N 2.94Å; L108-S111 PolarHBondContact O-OG 3.33Å; L108-E112 WeakPolarHBondContact CD2-OE2 3.47Å | ||
| 109 | G | 49.8 | Very low | 48.4 | Very low | 68 Ų | 68 | 109.9 Ų | 109.9 | 70% | 0.701 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 57.5 | -169 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 110 | M | 45.6 | Very low | 50.7 | Low | 163 Ų | 163 | 111.6 Ų | 111.6 | 80% | 0.803 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153 | -22.8 | 162.8 | -151 | 72.6 | 69.2 | 0 | 0 | 112.2 | L108 | L108-M110 PolarHBondContact O-N 3.24Š|
| 111 | S | 45.6 | Very low | 52.8 | Low | 58 Ų | 58 | 105.7 Ų | 105.7 | 41% | 0.406 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.5 | -37.1 | 168.3 | 48.3 | 0 | 0 | 0 | 0 | 112.4 | L108 A113 T114 S115 | L108-S111 PolarHBondContact O-N 2.94Å; L108-S111 PolarHBondContact O-OG 3.33Å; S111-A113 PolarHBondContact O-N 2.98Å; S111-T114 PolarHBondContact O-N 3.35Å; S111-T114 PolarHBondContact O-OG1 2.93Å; S111-S115 PolarHBondContact O-N 3.24Å; S111-S115 PolarHBondContact O-OG 3.06Å |
| 112 | E | 49.3 | Very low | 55.2 | Low | 89 Ų | 89 | 105.4 Ų | 105.4 | 42% | 0.416 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -51.5 | -54.9 | 177.8 | -131.6 | 83.6 | 160.3 | 0 | 0 | 110.7 | L108 T114 S115 E116 | L108-E112 WeakPolarHBondContact CD2-OE2 3.47Å; E112-T114 PolarHBondContact O-N 2.92Å; E112-T114 VanDerWaalsContact O-N 3.12Å; E112-S115 CarbonylContact O-C 3.55Å; E112-S115 WeakPolarHBondContact O-CA 3.33Å; E112-S115 PolarHBondContact O-N 3.47Å; E112-S115 PolarHBondContact O-OG 3.19Å; E112-E116 WeakPolarHBondContact O-CG 3.37Å; E112-E116 PolarHBondContact O-N 2.99Å |
| 113 | A | 52.7 | Low | 57.2 | Low | 57 Ų | 57 | 99 Ų | 99 | 47% | 0.471 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -60 | -27.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S111 E116 A117 | S111-A113 PolarHBondContact O-N 2.98Å; A113-E116 VanDerWaalsContact CA-OE2 3.32Å; A113-E116 WeakPolarHBondContact CA-OE2 3.39Å; A113-E116 PolarHBondContact N-OE2 3.48Å; A113-A117 WeakPolarHBondContact O-CB 3.43Å; A113-A117 PolarHBondContact O-N 3.41Å |
| 114 | T | 55.3 | Low | 59.6 | Low | 97 Ų | 97 | 98.5 Ų | 98.5 | 60% | 0.595 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -77.1 | -35.8 | 173.8 | 43.2 | 0 | 0 | 0 | 0 | 112.7 | S111 E112 E118 | S111-T114 PolarHBondContact O-N 3.35Å; S111-T114 PolarHBondContact O-OG1 2.93Å; E112-T114 PolarHBondContact O-N 2.92Å; E112-T114 VanDerWaalsContact O-N 3.12Å; T114-E118 PolarHBondContact O-N 3.28Å |
| 115 | S | 61.5 | Low | 61.9 | Low | 64 Ų | 64 | 95.7 Ų | 95.7 | 45% | 0.448 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -73.3 | -39.4 | 171.7 | 34.4 | 0 | 0 | 0 | 0 | 112.5 | S111 E112 A117 E118 E119 | S111-S115 PolarHBondContact O-N 3.24Å; S111-S115 PolarHBondContact O-OG 3.06Å; E112-S115 CarbonylContact O-C 3.55Å; E112-S115 WeakPolarHBondContact O-CA 3.33Å; E112-S115 PolarHBondContact O-N 3.47Å; E112-S115 PolarHBondContact O-OG 3.19Å; S115-A117 PolarHBondContact O-N 2.89Å; S115-E118 PolarHBondContact O-N 2.98Å; S115-E119 WeakPolarHBondContact O-CB 3.32Å; S115-E119 PolarHBondContact O-N 3.5Å |
| 116 | E | 65.9 | Low | 64 | Low | 115 Ų | 115 | 93.7 Ų | 93.7 | 54% | 0.537 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.2 | -44.2 | 177.4 | -70.6 | 170.9 | 130.7 | 0 | 0 | 110.9 | E112 A113 E118 E119 E120 | E112-E116 WeakPolarHBondContact O-CG 3.37Å; E112-E116 PolarHBondContact O-N 2.99Å; A113-E116 VanDerWaalsContact CA-OE2 3.32Å; A113-E116 WeakPolarHBondContact CA-OE2 3.39Å; A113-E116 PolarHBondContact N-OE2 3.48Å; E116-E118 PolarHBondContact O-N 2.75Å; E116-E119 PolarHBondContact O-N 3.33Å; E116-E120 WeakPolarHBondContact O-CB 3.34Å; E116-E120 PolarHBondContact O-N 3.3Å |
| 117 | A | 74.3 | Confident | 66.3 | Low | 55 Ų | 55 | 86.3 Ų | 86.3 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.9 | -32.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A113 S115 A121 | A113-A117 WeakPolarHBondContact O-CB 3.43Å; A113-A117 PolarHBondContact O-N 3.41Å; S115-A117 PolarHBondContact O-N 2.89Å; A117-A121 WeakPolarHBondContact O-CB 3.39Å; A117-A121 PolarHBondContact O-N 3.17Å; A117-A121 VanDerWaalsContact O-N 3.1Å |
| 118 | E | 75.9 | Confident | 68 | Low | 152 Ų | 152 | 82.4 Ų | 82.4 | 71% | 0.71 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -73.7 | -35.8 | 174.7 | -167.3 | 171.8 | 176.3 | 0 | 0 | 111.5 | T114 S115 E116 A122 | T114-E118 PolarHBondContact O-N 3.28Å; S115-E118 PolarHBondContact O-N 2.98Å; E116-E118 PolarHBondContact O-N 2.75Å; E118-A122 WeakPolarHBondContact O-CB 3.4Å; E118-A122 PolarHBondContact O-N 3.4Å |
| 119 | E | 78.2 | Confident | 69.9 | Low | 135 Ų | 135 | 84 Ų | 84 | 63% | 0.631 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -72.2 | -38.5 | 173.9 | -173 | 164.9 | 178.8 | 0 | 0 | 112.5 | S115 E116 A122 T123 | S115-E119 WeakPolarHBondContact O-CB 3.32Å; S115-E119 PolarHBondContact O-N 3.5Å; E116-E119 PolarHBondContact O-N 3.33Å; E119-A122 PolarHBondContact O-N 3.4Å; E119-T123 HydrophobicContact CG-CG2 4.47Å; E119-T123 WeakPolarHBondContact O-CB 3.49Å; E119-T123 WeakPolarHBondContact O-CG2 3.36Å; E119-T123 PolarHBondContact O-N 3.2Å; E119-T123 PolarHBondContact O-OG1 3.18Å |
| 120 | E | 77.5 | Confident | 71.4 | Confident | 142 Ų | 142 | 83 Ų | 83 | 66% | 0.664 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.2 | -43.1 | 172.2 | -170.7 | 177.5 | -167 | 0 | 0 | 111 | E116 T123 A124 | E116-E120 WeakPolarHBondContact O-CB 3.34Å; E116-E120 PolarHBondContact O-N 3.3Å; E120-T123 WeakPolarHBondContact CA-OG1 3.44Å; E120-T123 PolarHBondContact O-OG1 3.46Å; E120-A124 VanDerWaalsContact O-CB 3.27Å; E120-A124 WeakPolarHBondContact O-CB 3.33Å; E120-A124 PolarHBondContact O-N 3.44Å |
| 121 | A | 80.3 | Confident | 73 | Confident | 57 Ų | 57 | 76 Ų | 76 | 47% | 0.471 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A117 A124 E125 | A117-A121 WeakPolarHBondContact O-CB 3.39Å; A117-A121 PolarHBondContact O-N 3.17Å; A117-A121 VanDerWaalsContact O-N 3.1Å; A121-A124 PolarHBondContact O-N 3.26Å; A121-E125 PolarHBondContact O-N 2.73Å |
| 122 | A | 82.3 | Confident | 74.6 | Confident | 56 Ų | 56 | 77 Ų | 77 | 46% | 0.463 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.8 | -39 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E118 E119 A126 | E118-A122 WeakPolarHBondContact O-CB 3.4Å; E118-A122 PolarHBondContact O-N 3.4Å; E119-A122 PolarHBondContact O-N 3.4Å; A122-A126 WeakPolarHBondContact O-CB 3.4Å; A122-A126 PolarHBondContact O-N 3.17Å |
| 123 | T | 80.3 | Confident | 76.1 | Confident | 42 Ų | 42 | 76.9 Ų | 76.9 | 26% | 0.258 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.9 | -38.5 | 174.1 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | E119 E120 E125 A126 V127 L244 | E119-T123 HydrophobicContact CG-CG2 4.47Å; E119-T123 WeakPolarHBondContact O-CB 3.49Å; E119-T123 WeakPolarHBondContact O-CG2 3.36Å; E119-T123 PolarHBondContact O-N 3.2Å; E119-T123 PolarHBondContact O-OG1 3.18Å; E120-T123 WeakPolarHBondContact CA-OG1 3.44Å; E120-T123 PolarHBondContact O-OG1 3.46Å; T123-E125 PolarHBondContact O-N 3.3Å; T123-A126 CarbonylContact O-C 3.58Å; T123-A126 WeakPolarHBondContact O-CA 3.38Å; T123-A126 WeakPolarHBondContact O-CB 3.37Å; T123-A126 PolarHBondContact O-N 3.12Å; T123-A126 VanDerWaalsContact O-N 3.08Å; T123-V127 WeakPolarHBondContact O-CG2 3.42Å; T123-V127 PolarHBondContact O-N 3.33Å; T123-L244 HydrophobicContact CG2-CD2 4.23Å |
| 124 | A | 82 | Confident | 77.2 | Confident | 61 Ų | 61 | 76.1 Ų | 76.1 | 50% | 0.504 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E120 A121 A126 V127 G128 | E120-A124 VanDerWaalsContact O-CB 3.27Å; E120-A124 WeakPolarHBondContact O-CB 3.33Å; E120-A124 PolarHBondContact O-N 3.44Å; A121-A124 PolarHBondContact O-N 3.26Å; A124-A126 VanDerWaalsContact C-N 3.32Å; A124-A126 PolarHBondContact O-N 2.87Å; A124-V127 PolarHBondContact O-N 3.38Å; A124-G128 PolarHBondContact O-N 3.43Å |
| 125 | E | 84.3 | Confident | 78.1 | Confident | 118 Ų | 118 | 75.2 Ų | 75.2 | 55% | 0.551 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.4 | -37.1 | 171.7 | -70.7 | -159.8 | 163.6 | 0 | 0 | 112.5 | A121 T123 G128 R129 | A121-E125 PolarHBondContact O-N 2.73Å; T123-E125 PolarHBondContact O-N 3.3Å; E125-G128 PolarHBondContact O-N 2.75Å; E125-R129 WeakPolarHBondContact O-CB 3.39Å; E125-R129 WeakPolarHBondContact O-CG 3.49Å; E125-R129 PolarHBondContact O-N 3.48Å; E125-R129 PolarHBondContact O-NE 3.1Å; E125-R129 IonicContact OE2-CZ 3.14Å; E125-R129 IonicContact OE2-NH1 2.74Å; E125-R129 PolarHBondContact OE2-NH1 2.81Å; E125-R129 IonicContact OE2-NH2 2.72Å; E125-R129 PolarHBondContact OE2-NH2 3.38Å |
| 126 | A | 81.6 | Confident | 78.9 | Confident | 34 Ų | 34 | 77.7 Ų | 77.7 | 28% | 0.281 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.5 | -41.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A122 T123 A124 R129 L130 L244 | A122-A126 WeakPolarHBondContact O-CB 3.4Å; A122-A126 PolarHBondContact O-N 3.17Å; T123-A126 CarbonylContact O-C 3.58Å; T123-A126 WeakPolarHBondContact O-CA 3.38Å; T123-A126 WeakPolarHBondContact O-CB 3.37Å; T123-A126 PolarHBondContact O-N 3.12Å; T123-A126 VanDerWaalsContact O-N 3.08Å; A124-A126 VanDerWaalsContact C-N 3.32Å; A124-A126 PolarHBondContact O-N 2.87Å; A126-R129 PolarHBondContact O-N 3.24Å; A126-L130 WeakPolarHBondContact O-CB 3.45Å; A126-L130 PolarHBondContact O-N 3Å; A126-L244 HydrophobicContact CB-CD1 3.72Å |
| 127 | V | 84 | Confident | 79.2 | Confident | 22 Ų | 22 | 82 Ų | 82 | 13% | 0.133 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 170.6 | 172.2 | 0 | 0 | 0 | 0 | 110.1 | T123 A124 R129 L130 A131 A240 E241 L244 | T123-V127 WeakPolarHBondContact O-CG2 3.42Å; T123-V127 PolarHBondContact O-N 3.33Å; A124-V127 PolarHBondContact O-N 3.38Å; V127-R129 PolarHBondContact O-N 3.36Å; V127-L130 PolarHBondContact O-N 2.85Å; V127-A131 WeakPolarHBondContact O-CB 3.27Å; V127-A131 PolarHBondContact O-N 2.95Å; V127-A240 HydrophobicContact CG1-CB 4.04Å; V127-E241 HydrophobicContact CG1-CB 4.46Å; V127-L244 HydrophobicContact CG2-CB 4.1Å; V127-L244 HydrophobicContact CG2-CD1 3.96Å; V127-L244 HydrophobicContact CG2-CD2 4.1Å; V127-L244 HydrophobicContact CG2-CG 4.27Å |
| 128 | G | 78 | Confident | 79 | Confident | 37 Ų | 37 | 81 Ų | 81 | 38% | 0.381 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A124 E125 T132 | A124-G128 PolarHBondContact O-N 3.43Å; E125-G128 PolarHBondContact O-N 2.75Å; G128-T132 WeakPolarHBondContact O-CG2 3.42Å; G128-T132 PolarHBondContact O-N 2.8Å; G128-T132 PolarHBondContact O-OG1 3.48Å |
| 129 | R | 83.4 | Confident | 78.7 | Confident | 143 Ų | 143 | 81 Ų | 81 | 54% | 0.54 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 174.6 | -75.2 | -177.5 | -79.9 | -112.4 | 2.3 | 112 | E125 A126 V127 T132 T133 | E125-R129 WeakPolarHBondContact O-CB 3.39Å; E125-R129 WeakPolarHBondContact O-CG 3.49Å; E125-R129 PolarHBondContact O-N 3.48Å; E125-R129 PolarHBondContact O-NE 3.1Å; E125-R129 IonicContact OE2-CZ 3.14Å; E125-R129 IonicContact OE2-NH1 2.74Å; E125-R129 PolarHBondContact OE2-NH1 2.81Å; E125-R129 IonicContact OE2-NH2 2.72Å; E125-R129 PolarHBondContact OE2-NH2 3.38Å; A126-R129 PolarHBondContact O-N 3.24Å; V127-R129 PolarHBondContact O-N 3.36Å; R129-T132 PolarHBondContact O-OG1 2.82Å; R129-T133 WeakPolarHBondContact O-CG2 3.48Å; R129-T133 PolarHBondContact O-N 2.96Å; R129-T133 PolarHBondContact O-OG1 3.49Å |
| 130 | L | 80.7 | Confident | 78.2 | Confident | 46 Ų | 46 | 76 Ų | 76 | 24% | 0.241 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -70.3 | -42.5 | 177.5 | -164.3 | 117.7 | 0 | 0 | 0 | 111.5 | A126 V127 T132 T133 L134 A240 W243 | A126-L130 WeakPolarHBondContact O-CB 3.45Å; A126-L130 PolarHBondContact O-N 3Å; V127-L130 PolarHBondContact O-N 2.85Å; L130-T132 VanDerWaalsContact C-N 3.35Å; L130-T132 PolarHBondContact O-N 2.72Å; L130-T133 PolarHBondContact O-N 3.02Å; L130-T133 PolarHBondContact O-OG1 2.82Å; L130-L134 HydrophobicContact CD2-CD1 3.62Å; L130-L134 HydrophobicContact CD2-CG 4.23Å; L130-L134 HydrophobicContact CG-CD1 4.41Å; L130-L134 WeakPolarHBondContact O-CB 3.47Å; L130-L134 WeakPolarHBondContact O-CG 3.19Å; L130-L134 PolarHBondContact O-N 3.3Å; L130-A240 HydrophobicContact CB-CB 4.44Å; L130-A240 HydrophobicContact CD2-CB 3.69Å; L130-W243 HydrophobicContact CD2-CB 4.23Å; L130-W243 HydrophobicContact CD2-CG 4.15Å |
| 131 | A | 79.6 | Confident | 77.8 | Confident | 16 Ų | 16 | 72.3 Ų | 72.3 | 13% | 0.132 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V127 W135 A240 | V127-A131 WeakPolarHBondContact O-CB 3.27Å; V127-A131 PolarHBondContact O-N 2.95Å; A131-W135 WeakPolarHBondContact O-CB 3.25Å; A131-W135 PolarHBondContact O-N 3.38Å; A131-A240 HydrophobicContact CB-CB 3.68Å |
| 132 | T | 78.9 | Confident | 77.3 | Confident | 78 Ų | 78 | 72.3 Ų | 72.3 | 48% | 0.479 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.7 | -37.3 | 175.7 | 48.5 | 0 | 0 | 0 | 0 | 112.7 | G128 R129 L130 L136 | G128-T132 WeakPolarHBondContact O-CG2 3.42Å; G128-T132 PolarHBondContact O-N 2.8Å; G128-T132 PolarHBondContact O-OG1 3.48Å; R129-T132 PolarHBondContact O-OG1 2.82Å; L130-T132 VanDerWaalsContact C-N 3.35Å; L130-T132 PolarHBondContact O-N 2.72Å; T132-L136 WeakPolarHBondContact O-CB 3.26Å; T132-L136 VanDerWaalsContact O-CG 3.28Å; T132-L136 WeakPolarHBondContact O-CG 3.33Å; T132-L136 PolarHBondContact O-N 2.74Å |
| 133 | T | 80.8 | Confident | 76.5 | Confident | 88 Ų | 88 | 71 Ų | 71 | 54% | 0.54 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -71.3 | -36.7 | 174.2 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | R129 L130 R137 | R129-T133 WeakPolarHBondContact O-CG2 3.48Å; R129-T133 PolarHBondContact O-N 2.96Å; R129-T133 PolarHBondContact O-OG1 3.49Å; L130-T133 PolarHBondContact O-N 3.02Å; L130-T133 PolarHBondContact O-OG1 2.82Å; T133-R137 PolarHBondContact O-N 3.46Å |
| 134 | L | 77.3 | Confident | 75.9 | Confident | 41 Ų | 41 | 71.3 Ų | 71.3 | 22% | 0.215 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.1 | -50.4 | 169.8 | -75.6 | 177.6 | 0 | 0 | 0 | 110.6 | L130 L136 R137 L138 L239 A240 | L130-L134 HydrophobicContact CD2-CD1 3.62Å; L130-L134 HydrophobicContact CD2-CG 4.23Å; L130-L134 HydrophobicContact CG-CD1 4.41Å; L130-L134 WeakPolarHBondContact O-CB 3.47Å; L130-L134 WeakPolarHBondContact O-CG 3.19Å; L130-L134 PolarHBondContact O-N 3.3Å; L134-L136 PolarHBondContact O-N 3.02Å; L134-R137 CarbonylContact O-C 3.46Å; L134-R137 WeakPolarHBondContact O-CA 3.45Å; L134-R137 PolarHBondContact O-N 3.37Å; L134-L138 WeakPolarHBondContact O-CB 3.27Å; L134-L138 WeakPolarHBondContact O-CD1 3.14Å; L134-L138 PolarHBondContact O-N 2.88Å; L134-L239 HydrophobicContact CD1-CD2 4.42Å; L134-L239 HydrophobicContact CD1-CG 4.29Å; L134-A240 HydrophobicContact CD1-CB 4.14Å |
| 135 | W | 74.7 | Confident | 75.2 | Confident | 77 Ų | 77 | 70.9 Ų | 70.9 | 29% | 0.292 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.2 | -45.7 | 179.1 | 179.9 | 69 | 0 | 0 | 0 | 111.9 | A131 R137 L138 R139 E142 C236 | A131-W135 WeakPolarHBondContact O-CB 3.25Å; A131-W135 PolarHBondContact O-N 3.38Å; W135-R137 PolarHBondContact O-N 2.91Å; W135-L138 CarbonylContact O-C 3.56Å; W135-L138 PolarHBondContact O-N 2.78Å; W135-R139 HydrophobicContact CZ2-CG 4.28Å; W135-R139 WeakPolarHBondContact O-CB 3.28Å; W135-R139 PolarHBondContact O-N 3.08Å; W135-E142 PolarHBondContact NE1-OE1 3.48Å; W135-C236 HydrophobicContact CB-CB 4.42Å |
| 136 | L | 76.5 | Confident | 74.5 | Confident | 117 Ų | 117 | 66.2 Ų | 66.2 | 61% | 0.613 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -57.5 | -32.8 | 175.1 | -77.3 | 168.6 | 0 | 0 | 0 | 113.4 | T132 L134 | T132-L136 WeakPolarHBondContact O-CB 3.26Å; T132-L136 VanDerWaalsContact O-CG 3.28Å; T132-L136 WeakPolarHBondContact O-CG 3.33Å; T132-L136 PolarHBondContact O-N 2.74Å; L134-L136 PolarHBondContact O-N 3.02Å |
| 137 | R | 72.9 | Confident | 73.8 | Confident | 206 Ų | 206 | 67 Ų | 67 | 78% | 0.777 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -83 | -36.1 | 177.3 | -168.2 | 174.7 | -174.6 | 169.8 | 1.5 | 112.7 | T133 L134 W135 R139 | T133-R137 PolarHBondContact O-N 3.46Å; L134-R137 CarbonylContact O-C 3.46Å; L134-R137 WeakPolarHBondContact O-CA 3.45Å; L134-R137 PolarHBondContact O-N 3.37Å; W135-R137 PolarHBondContact O-N 2.91Å; R137-R139 VanDerWaalsContact C-N 3.28Å |
| 138 | L | 71 | Confident | 72.9 | Confident | 34 Ų | 34 | 68 Ų | 68 | 18% | 0.178 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -80.1 | -7.4 | 175.9 | -86.9 | 56.8 | 0 | 0 | 0 | 112.3 | L134 W135 G140 W141 E142 L145 L239 | L134-L138 WeakPolarHBondContact O-CB 3.27Å; L134-L138 WeakPolarHBondContact O-CD1 3.14Å; L134-L138 PolarHBondContact O-N 2.88Å; W135-L138 CarbonylContact O-C 3.56Å; W135-L138 PolarHBondContact O-N 2.78Å; L138-G140 PolarHBondContact O-N 3.42Å; L138-W141 CarbonylContact O-C 3.59Å; L138-W141 VanDerWaalsContact O-CA 3.28Å; L138-W141 WeakPolarHBondContact O-CA 3.42Å; L138-W141 WeakPolarHBondContact O-CB 3.32Å; L138-W141 PolarHBondContact O-N 2.92Å; L138-E142 WeakPolarHBondContact O-CG 3.13Å; L138-E142 PolarHBondContact O-N 2.66Å; L138-L145 HydrophobicContact CB-CD1 4.06Å; L138-L145 HydrophobicContact CD2-CD1 3.79Å; L138-L145 HydrophobicContact CG-CD1 3.89Å; L138-L239 HydrophobicContact CD2-CD2 4.27Å |
| 139 | R | 68.7 | Low | 72.7 | Confident | 150 Ų | 150 | 67.4 Ų | 67.4 | 57% | 0.566 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25.6 | 179.3 | -161.1 | 172.9 | 179.5 | -163.9 | -2.7 | 113.9 | W135 R137 W141 E142 | W135-R139 HydrophobicContact CZ2-CG 4.28Å; W135-R139 WeakPolarHBondContact O-CB 3.28Å; W135-R139 PolarHBondContact O-N 3.08Å; R137-R139 VanDerWaalsContact C-N 3.28Å; R139-W141 VanDerWaalsContact C-N 3.26Å; R139-E142 HydrophobicContact CG-CG 4.42Å |
| 140 | G | 68.3 | Low | 72.1 | Confident | 31 Ų | 31 | 66.3 Ų | 66.3 | 32% | 0.32 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -18.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L138 Q199 | L138-G140 PolarHBondContact O-N 3.42Å; G140-Q199 PolarHBondContact O-NE2 3.19Å |
| 141 | W | 67.7 | Low | 71.5 | Confident | 64 Ų | 64 | 66.5 Ų | 66.5 | 24% | 0.242 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 0.2 | -170.6 | -62.3 | 81.6 | 0 | 0 | 0 | 113.2 | L138 R139 A143 V144 L145 Y192 L195 | L138-W141 CarbonylContact O-C 3.59Å; L138-W141 VanDerWaalsContact O-CA 3.28Å; L138-W141 WeakPolarHBondContact O-CA 3.42Å; L138-W141 WeakPolarHBondContact O-CB 3.32Å; L138-W141 PolarHBondContact O-N 2.92Å; R139-W141 VanDerWaalsContact C-N 3.26Å; W141-A143 VanDerWaalsContact C-N 3.29Å; W141-A143 PolarHBondContact O-N 2.61Å; W141-V144 HydrophobicContact CE3-CB 4.17Å; W141-V144 HydrophobicContact CE3-CG1 4.12Å; W141-V144 HydrophobicContact CE3-CG2 4.21Å; W141-V144 CarbonylContact O-C 3.54Å; W141-V144 WeakPolarHBondContact O-CA 3.46Å; W141-V144 WeakPolarHBondContact O-CB 3.35Å; W141-V144 PolarHBondContact O-N 2.82Å; W141-L145 HydrophobicContact CB-CD1 4.31Å; W141-L145 HydrophobicContact CB-CG 4.41Å; W141-L145 WeakPolarHBondContact O-CG 3.35Å; W141-L145 PolarHBondContact O-N 3.44Å; W141-Y192 HydrophobicContact CH2-CE2 4.17Å; W141-Y192 HydrophobicContact CZ2-CE2 4.21Å; W141-L195 HydrophobicContact CZ3-CD2 4.47Å |
| 142 | E | 70.1 | Confident | 71 | Confident | 57 Ų | 57 | 68.1 Ų | 68.1 | 27% | 0.266 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -52.9 | -45 | -174.3 | -52.8 | -167.8 | 114.1 | 0 | 0 | 112.5 | W135 L138 R139 L145 A146 V232 | W135-E142 PolarHBondContact NE1-OE1 3.48Å; L138-E142 WeakPolarHBondContact O-CG 3.13Å; L138-E142 PolarHBondContact O-N 2.66Å; R139-E142 HydrophobicContact CG-CG 4.42Å; E142-L145 PolarHBondContact O-N 3.08Å; E142-A146 VanDerWaalsContact O-CB 3.27Å; E142-A146 WeakPolarHBondContact O-CB 3.47Å; E142-A146 PolarHBondContact O-N 3.34Å; E142-V232 HydrophobicContact CB-CG1 4.16Å; E142-V232 HydrophobicContact CB-CG2 4.25Å; E142-V232 HydrophobicContact CG-CG1 3.97Å |
| 143 | A | 66.5 | Low | 70.6 | Confident | 29 Ų | 29 | 65 Ų | 65 | 24% | 0.24 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -75.3 | -23.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | W141 A147 L203 | W141-A143 VanDerWaalsContact C-N 3.29Å; W141-A143 PolarHBondContact O-N 2.61Å; A143-A147 WeakPolarHBondContact O-CB 3.47Å; A143-A147 PolarHBondContact O-N 3.32Å; A143-L203 HydrophobicContact CB-CD1 4.29Å; A143-L203 HydrophobicContact CB-CD2 3.64Å; A143-L203 HydrophobicContact CB-CG 4.43Å |
| 144 | V | 66.1 | Low | 70 | Confident | 48 Ų | 48 | 64.5 Ų | 64.5 | 29% | 0.291 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -75.2 | -41.5 | 170.8 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | W141 A147 A148 L203 | W141-V144 HydrophobicContact CE3-CB 4.17Å; W141-V144 HydrophobicContact CE3-CG1 4.12Å; W141-V144 HydrophobicContact CE3-CG2 4.21Å; W141-V144 CarbonylContact O-C 3.54Å; W141-V144 WeakPolarHBondContact O-CA 3.46Å; W141-V144 WeakPolarHBondContact O-CB 3.35Å; W141-V144 PolarHBondContact O-N 2.82Å; V144-A147 PolarHBondContact O-N 3.39Å; V144-A148 VanDerWaalsContact O-CB 3.29Å; V144-A148 WeakPolarHBondContact O-CB 3.46Å; V144-A148 PolarHBondContact O-N 3.03Å; V144-L203 HydrophobicContact CG2-CD1 4.17Å; V144-L203 HydrophobicContact CG2-CD2 4.21Å |
| 145 | L | 69.2 | Low | 69.5 | Low | 52 Ų | 52 | 66.4 Ų | 66.4 | 27% | 0.272 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65 | -45.9 | 174.7 | -68.8 | 167.6 | 0 | 0 | 0 | 110.8 | L138 W141 E142 A148 Q149 | L138-L145 HydrophobicContact CB-CD1 4.06Å; L138-L145 HydrophobicContact CD2-CD1 3.79Å; L138-L145 HydrophobicContact CG-CD1 3.89Å; W141-L145 HydrophobicContact CB-CD1 4.31Å; W141-L145 HydrophobicContact CB-CG 4.41Å; W141-L145 WeakPolarHBondContact O-CG 3.35Å; W141-L145 PolarHBondContact O-N 3.44Å; E142-L145 PolarHBondContact O-N 3.08Å; L145-A148 PolarHBondContact O-N 2.97Å; L145-Q149 VanDerWaalsContact O-CB 3.22Å; L145-Q149 WeakPolarHBondContact O-CB 3.42Å; L145-Q149 PolarHBondContact O-N 3.49Å |
| 146 | A | 67.8 | Low | 69.3 | Low | 21 Ų | 21 | 69.3 Ų | 69.3 | 17% | 0.174 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63 | -40.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E142 Q149 R150 | E142-A146 VanDerWaalsContact O-CB 3.27Å; E142-A146 WeakPolarHBondContact O-CB 3.47Å; E142-A146 PolarHBondContact O-N 3.34Å; A146-Q149 PolarHBondContact O-N 3.05Å; A146-R150 WeakPolarHBondContact O-CB 3.37Å; A146-R150 WeakPolarHBondContact O-CG 3.36Å; A146-R150 PolarHBondContact O-N 2.85Å |
| 147 | A | 66.8 | Low | 69.1 | Low | 51 Ų | 51 | 67.4 Ų | 67.4 | 42% | 0.421 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A143 V144 R150 L151 | A143-A147 WeakPolarHBondContact O-CB 3.47Å; A143-A147 PolarHBondContact O-N 3.32Å; V144-A147 PolarHBondContact O-N 3.39Å; A147-R150 PolarHBondContact O-N 2.99Å; A147-L151 WeakPolarHBondContact O-CB 3.44Å; A147-L151 PolarHBondContact O-N 2.88Å |
| 148 | A | 67.1 | Low | 69.3 | Low | 41 Ų | 41 | 64 Ų | 64 | 34% | 0.339 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V144 L145 L151 L152 | V144-A148 VanDerWaalsContact O-CB 3.29Å; V144-A148 WeakPolarHBondContact O-CB 3.46Å; V144-A148 PolarHBondContact O-N 3.03Å; L145-A148 PolarHBondContact O-N 2.97Å; A148-L151 WeakPolarHBondContact O-CB 3.24Å; A148-L151 PolarHBondContact O-N 3.33Å; A148-L152 WeakPolarHBondContact O-CB 3.2Å; A148-L152 WeakPolarHBondContact O-CD1 3.4Å; A148-L152 PolarHBondContact O-N 3.21Å |
| 149 | Q | 73.1 | Confident | 69.4 | Low | 25 Ų | 25 | 68.4 Ų | 68.4 | 12% | 0.117 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.2 | -50.8 | 173.6 | 180 | 178.3 | -24.7 | 0 | 0 | 110.9 | L145 A146 L151 L152 V153 L230 | L145-Q149 VanDerWaalsContact O-CB 3.22Å; L145-Q149 WeakPolarHBondContact O-CB 3.42Å; L145-Q149 PolarHBondContact O-N 3.49Å; A146-Q149 PolarHBondContact O-N 3.05Å; Q149-L151 PolarHBondContact O-N 2.75Å; Q149-L152 PolarHBondContact O-N 2.95Å; Q149-L152 VanDerWaalsContact O-N 3.13Å; Q149-V153 HydrophobicContact CG-CG2 4.2Å; Q149-V153 WeakPolarHBondContact O-CB 3.43Å; Q149-V153 WeakPolarHBondContact O-CG2 3.5Å; Q149-V153 PolarHBondContact O-N 3Å; Q149-L230 PolarHBondContact NE2-O 2.91Å; Q149-L230 PolarHBondContact OE1-O 3.39Å |
| 150 | R | 70.7 | Confident | 70 | Confident | 120 Ų | 120 | 61.5 Ų | 61.5 | 45% | 0.453 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.2 | -31.1 | 174.7 | -69 | 178.1 | 169.7 | 154 | 0.7 | 113 | A146 A147 W154 E155 L229 | A146-R150 WeakPolarHBondContact O-CB 3.37Å; A146-R150 WeakPolarHBondContact O-CG 3.36Å; A146-R150 PolarHBondContact O-N 2.85Å; A147-R150 PolarHBondContact O-N 2.99Å; R150-W154 PolarHBondContact O-N 3.3Å; R150-E155 VanDerWaalsContact CG-OE2 3.3Å; R150-E155 WeakPolarHBondContact CG-OE2 3.43Å; R150-E155 IonicContact NE-OE2 2.66Å; R150-E155 PolarHBondContact O-N 3.13Å; R150-L229 HydrophobicContact CG-CD2 3.92Å |
| 151 | L | 67.6 | Low | 70.6 | Confident | 51 Ų | 51 | 64.5 Ų | 64.5 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.1 | -55.1 | 173.4 | -143.1 | 72.4 | 0 | 0 | 0 | 111.5 | A147 A148 Q149 V153 W154 S160 T163 | A147-L151 WeakPolarHBondContact O-CB 3.44Å; A147-L151 PolarHBondContact O-N 2.88Å; A148-L151 WeakPolarHBondContact O-CB 3.24Å; A148-L151 PolarHBondContact O-N 3.33Å; Q149-L151 PolarHBondContact O-N 2.75Å; L151-V153 VanDerWaalsContact C-N 3.26Å; L151-V153 PolarHBondContact O-N 2.91Å; L151-W154 PolarHBondContact O-N 3.42Å; L151-S160 WeakPolarHBondContact O-CB 3.41Å; L151-S160 PolarHBondContact O-OG 2.79Å; L151-T163 HydrophobicContact CD1-CG2 3.9Å; L151-T163 WeakPolarHBondContact CD1-OG1 3.39Å; L151-T163 HydrophobicContact CD2-CG2 4.13Å; L151-T163 WeakPolarHBondContact CD2-OG1 3.42Å; L151-T163 HydrophobicContact CG-CG2 4.44Å; L151-T163 VanDerWaalsContact CG-OG1 3.24Å; L151-T163 WeakPolarHBondContact CG-OG1 3.5Å |
| 152 | L | 69.6 | Low | 71.5 | Confident | 49 Ų | 49 | 66.2 Ų | 66.2 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.8 | -26.3 | -179.7 | -91.9 | 45.3 | 0 | 0 | 0 | 113.1 | A148 Q149 L296 P299 | A148-L152 WeakPolarHBondContact O-CB 3.2Å; A148-L152 WeakPolarHBondContact O-CD1 3.4Å; A148-L152 PolarHBondContact O-N 3.21Å; Q149-L152 PolarHBondContact O-N 2.95Å; Q149-L152 VanDerWaalsContact O-N 3.13Å; L152-L296 HydrophobicContact CD1-CD2 4.36Å; L152-P299 HydrophobicContact CB-CB 3.94Å; L152-P299 HydrophobicContact CB-CG 4.15Å; L152-P299 HydrophobicContact CD2-CB 4.42Å; L152-P299 HydrophobicContact CD2-CG 3.81Å; L152-P299 HydrophobicContact CG-CB 4.31Å; L152-P299 HydrophobicContact CG-CG 3.95Å |
| 153 | V | 71.2 | Confident | 72 | Confident | 12 Ų | 12 | 65.7 Ų | 65.7 | 7% | 0.073 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -11.5 | 174.8 | 168.7 | 0 | 0 | 0 | 0 | 112.5 | Q149 L151 E155 Y303 | Q149-V153 HydrophobicContact CG-CG2 4.2Å; Q149-V153 WeakPolarHBondContact O-CB 3.43Å; Q149-V153 WeakPolarHBondContact O-CG2 3.5Å; Q149-V153 PolarHBondContact O-N 3Å; L151-V153 VanDerWaalsContact C-N 3.26Å; L151-V153 PolarHBondContact O-N 2.91Å; V153-E155 VanDerWaalsContact C-N 3.26Å; V153-E155 HydrophobicContact CB-CG 4.42Å; V153-E155 HydrophobicContact CG1-CG 3.79Å; V153-E155 PolarHBondContact O-N 3.18Å; V153-Y303 HydrophobicContact CG1-CD1 3.78Å; V153-Y303 HydrophobicContact CG1-CD2 4.1Å; V153-Y303 HydrophobicContact CG1-CE1 3.44Å; V153-Y303 VanDerWaalsContact CG1-CE1 3.44Å; V153-Y303 HydrophobicContact CG1-CE2 3.74Å; V153-Y303 HydrophobicContact CG1-CG 4.1Å; V153-Y303 VanDerWaalsContact CG1-CZ 3.4Å; V153-Y303 HydrophobicContact CG2-CD2 3.72Å; V153-Y303 HydrophobicContact CG2-CE2 3.91Å; V153-Y303 HydrophobicContact CG2-CG 4.05Å |
| 154 | W | 67.4 | Low | 72.8 | Confident | 79 Ų | 79 | 65.1 Ų | 65.1 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 24.4 | 179 | -71.8 | 58.1 | 0 | 0 | 0 | 115.4 | R150 L151 K156 P157 S160 L161 L300 | R150-W154 PolarHBondContact O-N 3.3Å; L151-W154 PolarHBondContact O-N 3.42Å; W154-K156 CarbonylContact O-C 3.51Å; W154-K156 PolarHBondContact O-N 3.4Å; W154-P157 HydrophobicContact CE3-CB 4.16Å; W154-P157 WeakPolarHBondContact O-CD 3.3Å; W154-S160 VanDerWaalsContact CE2-OG 3.32Å; W154-S160 PolarHBondContact NE1-OG 3.46Å; W154-L161 HydrophobicContact CH2-CB 4.25Å; W154-L161 HydrophobicContact CH2-CD1 4Å; W154-L161 HydrophobicContact CZ3-CB 4.08Å; W154-L161 HydrophobicContact CZ3-CD1 4.38Å; W154-L300 HydrophobicContact CB-CD1 4.14Å; W154-L300 HydrophobicContact CG-CD1 3.89Å |
| 155 | E | 67.4 | Low | 73.7 | Confident | 81 Ų | 81 | 65.8 Ų | 65.8 | 38% | 0.379 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -48.3 | -33.6 | 178.6 | -65 | -174.8 | 174.4 | 0 | 0 | 113.7 | R150 V153 L229 | R150-E155 VanDerWaalsContact CG-OE2 3.3Å; R150-E155 WeakPolarHBondContact CG-OE2 3.43Å; R150-E155 IonicContact NE-OE2 2.66Å; R150-E155 PolarHBondContact O-N 3.13Å; V153-E155 VanDerWaalsContact C-N 3.26Å; V153-E155 HydrophobicContact CB-CG 4.42Å; V153-E155 HydrophobicContact CG1-CG 3.79Å; V153-E155 PolarHBondContact O-N 3.18Å; E155-L229 WeakPolarHBondContact OE1-CD1 3.49Å; E155-L229 WeakPolarHBondContact OE1-CD2 3.23Å; E155-L229 WeakPolarHBondContact OE1-CG 3.35Å |
| 156 | K | 70.7 | Confident | 74.5 | Confident | 138 Ų | 138 | 66.1 Ų | 66.1 | 60% | 0.6 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -120.5 | 91.7 | 171.2 | -64 | -179 | -178 | 179.9 | 0 | 107.8 | W154 L158 H159 S160 | W154-K156 CarbonylContact O-C 3.51Å; W154-K156 PolarHBondContact O-N 3.4Å; K156-L158 VanDerWaalsContact C-N 3.25Å; K156-L158 PolarHBondContact O-N 3.04Å; K156-L158 VanDerWaalsContact O-N 3.17Å; K156-H159 HydrophobicContact CB-CB 4.22Å; K156-H159 PolarHBondContact O-N 2.91Å; K156-S160 PolarHBondContact O-N 3.36Å |
| 157 | P | 72.4 | Confident | 75.4 | Confident | 77 Ų | 77 | 68.5 Ų | 68.5 | 50% | 0.5 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.1 | -32.1 | -167.5 | 21.7 | -33.3 | 0 | 0 | 0 | 112.6 | W154 L161 | W154-P157 HydrophobicContact CE3-CB 4.16Å; W154-P157 WeakPolarHBondContact O-CD 3.3Å; P157-L161 WeakPolarHBondContact O-CB 3.42Å; P157-L161 PolarHBondContact O-N 2.98Å |
| 158 | L | 75.8 | Confident | 76.3 | Confident | 135 Ų | 135 | 67.5 Ų | 67.5 | 71% | 0.707 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.5 | -43.7 | 174.8 | -63.4 | 178 | 0 | 0 | 0 | 112.8 | K156 V162 | K156-L158 VanDerWaalsContact C-N 3.25Å; K156-L158 PolarHBondContact O-N 3.04Å; K156-L158 VanDerWaalsContact O-N 3.17Å; L158-V162 WeakPolarHBondContact O-CB 3.34Å; L158-V162 VanDerWaalsContact O-CG2 3.24Å; L158-V162 WeakPolarHBondContact O-CG2 3.14Å; L158-V162 PolarHBondContact O-N 3.22Å |
| 159 | H | 72.6 | Confident | 77.2 | Confident | 126 Ų | 126 | 67 Ų | 67 | 58% | 0.583 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -70.3 | -42.9 | 178 | -73.3 | -71.4 | 0 | 0 | 0 | 111.1 | K156 V162 T163 | K156-H159 HydrophobicContact CB-CB 4.22Å; K156-H159 PolarHBondContact O-N 2.91Å; H159-V162 PolarHBondContact O-N 2.76Å; H159-T163 PolarHBondContact O-N 2.92Å; H159-T163 PolarHBondContact O-OG1 2.93Å; H159-T163 VanDerWaalsContact O-OG1 3.1Å |
| 160 | S | 81.6 | Confident | 77.7 | Confident | 5 Ų | 5 | 70 Ų | 70 | 4% | 0.035 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 176.1 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | L151 W154 K156 V162 T163 A164 | L151-S160 WeakPolarHBondContact O-CB 3.41Å; L151-S160 PolarHBondContact O-OG 2.79Å; W154-S160 VanDerWaalsContact CE2-OG 3.32Å; W154-S160 PolarHBondContact NE1-OG 3.46Å; K156-S160 PolarHBondContact O-N 3.36Å; S160-V162 VanDerWaalsContact C-N 3.34Å; S160-V162 PolarHBondContact O-N 3.45Å; S160-T163 WeakPolarHBondContact CA-OG1 3.49Å; S160-T163 CarbonylContact O-C 3.59Å; S160-T163 PolarHBondContact O-N 2.95Å; S160-T163 VanDerWaalsContact O-N 3.08Å; S160-T163 PolarHBondContact O-OG1 3.19Å; S160-A164 WeakPolarHBondContact O-CB 3.25Å; S160-A164 PolarHBondContact O-N 3.46Å |
| 161 | L | 82.1 | Confident | 78.4 | Confident | 94 Ų | 94 | 65.7 Ų | 65.7 | 49% | 0.492 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.4 | -43.8 | 175.8 | -178.4 | 66.2 | 0 | 0 | 0 | 112.5 | W154 P157 A164 A165 | W154-L161 HydrophobicContact CH2-CB 4.25Å; W154-L161 HydrophobicContact CH2-CD1 4Å; W154-L161 HydrophobicContact CZ3-CB 4.08Å; W154-L161 HydrophobicContact CZ3-CD1 4.38Å; P157-L161 WeakPolarHBondContact O-CB 3.42Å; P157-L161 PolarHBondContact O-N 2.98Å; L161-A164 PolarHBondContact O-N 3.19Å; L161-A165 VanDerWaalsContact O-CB 3.25Å; L161-A165 WeakPolarHBondContact O-CB 3.42Å; L161-A165 PolarHBondContact O-N 3.37Å |
| 162 | V | 85 | Confident | 79.2 | Confident | 99 Ų | 99 | 69.5 Ų | 69.5 | 60% | 0.6 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 175.8 | 166.1 | 0 | 0 | 0 | 0 | 111.3 | L158 H159 S160 A165 A166 | L158-V162 WeakPolarHBondContact O-CB 3.34Å; L158-V162 VanDerWaalsContact O-CG2 3.24Å; L158-V162 WeakPolarHBondContact O-CG2 3.14Å; L158-V162 PolarHBondContact O-N 3.22Å; H159-V162 PolarHBondContact O-N 2.76Å; S160-V162 VanDerWaalsContact C-N 3.34Å; S160-V162 PolarHBondContact O-N 3.45Å; V162-A165 PolarHBondContact O-N 3.43Å; V162-A166 WeakPolarHBondContact O-CB 3.21Å; V162-A166 PolarHBondContact O-N 3.33Å |
| 163 | T | 81.6 | Confident | 79.8 | Confident | 46 Ų | 46 | 72.5 Ų | 72.5 | 28% | 0.282 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -72.7 | -33.3 | 176.4 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | L151 H159 S160 A166 L167 | L151-T163 HydrophobicContact CD1-CG2 3.9Å; L151-T163 WeakPolarHBondContact CD1-OG1 3.39Å; L151-T163 HydrophobicContact CD2-CG2 4.13Å; L151-T163 WeakPolarHBondContact CD2-OG1 3.42Å; L151-T163 HydrophobicContact CG-CG2 4.44Å; L151-T163 VanDerWaalsContact CG-OG1 3.24Å; L151-T163 WeakPolarHBondContact CG-OG1 3.5Å; H159-T163 PolarHBondContact O-N 2.92Å; H159-T163 PolarHBondContact O-OG1 2.93Å; H159-T163 VanDerWaalsContact O-OG1 3.1Å; S160-T163 WeakPolarHBondContact CA-OG1 3.49Å; S160-T163 CarbonylContact O-C 3.59Å; S160-T163 PolarHBondContact O-N 2.95Å; S160-T163 VanDerWaalsContact O-N 3.08Å; S160-T163 PolarHBondContact O-OG1 3.19Å; T163-A166 PolarHBondContact O-N 2.87Å; T163-L167 WeakPolarHBondContact O-CB 3.47Å; T163-L167 VanDerWaalsContact O-CG 3.3Å; T163-L167 WeakPolarHBondContact O-CG 3.27Å; T163-L167 PolarHBondContact O-N 2.76Å |
| 164 | A | 83.2 | Confident | 80 | Confident | 18 Ų | 18 | 75.1 Ų | 75.1 | 15% | 0.149 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65 | -45.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | S160 L161 A166 L167 N168 | S160-A164 WeakPolarHBondContact O-CB 3.25Å; S160-A164 PolarHBondContact O-N 3.46Å; L161-A164 PolarHBondContact O-N 3.19Å; A164-A166 VanDerWaalsContact C-N 3.31Å; A164-A166 PolarHBondContact O-N 2.92Å; A164-L167 PolarHBondContact O-N 2.73Å; A164-N168 WeakPolarHBondContact O-CB 3.36Å; A164-N168 PolarHBondContact O-N 3.47Å; A164-N168 PolarHBondContact O-ND2 2.66Å |
| 165 | A | 85.3 | Confident | 80.6 | Confident | 61 Ų | 61 | 73.1 Ų | 73.1 | 50% | 0.504 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.8 | -37.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L161 V162 G169 | L161-A165 VanDerWaalsContact O-CB 3.25Å; L161-A165 WeakPolarHBondContact O-CB 3.42Å; L161-A165 PolarHBondContact O-N 3.37Å; V162-A165 PolarHBondContact O-N 3.43Å; A165-G169 PolarHBondContact O-N 2.77Å |
| 166 | A | 86.1 | Confident | 81 | Confident | 60 Ų | 60 | 73.5 Ų | 73.5 | 50% | 0.496 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.7 | -39.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V162 T163 A164 G169 L170 | V162-A166 WeakPolarHBondContact O-CB 3.21Å; V162-A166 PolarHBondContact O-N 3.33Å; T163-A166 PolarHBondContact O-N 2.87Å; A164-A166 VanDerWaalsContact C-N 3.31Å; A164-A166 PolarHBondContact O-N 2.92Å; A166-G169 PolarHBondContact O-N 3.49Å; A166-L170 WeakPolarHBondContact O-CB 3.47Å; A166-L170 PolarHBondContact O-N 2.92Å |
| 167 | L | 85.6 | Confident | 81.3 | Confident | 70 Ų | 70 | 69 Ų | 69 | 37% | 0.366 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.8 | -38.8 | 175.2 | -73.1 | 171.7 | 0 | 0 | 0 | 111.9 | T163 A164 F171 L296 | T163-L167 WeakPolarHBondContact O-CB 3.47Å; T163-L167 VanDerWaalsContact O-CG 3.3Å; T163-L167 WeakPolarHBondContact O-CG 3.27Å; T163-L167 PolarHBondContact O-N 2.76Å; A164-L167 PolarHBondContact O-N 2.73Å; L167-F171 VanDerWaalsContact O-CB 3.31Å; L167-F171 WeakPolarHBondContact O-CB 3.39Å; L167-F171 PolarHBondContact O-N 2.99Å; L167-L296 HydrophobicContact CD1-CD2 3.99Å |
| 168 | N | 87 | Confident | 80.8 | Confident | 31 Ų | 31 | 71.1 Ų | 71.1 | 17% | 0.166 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -64.9 | -46.8 | 171.9 | -82.5 | -102.6 | 0 | 0 | 0 | 110.5 | A164 L170 F171 W172 Y289 | A164-N168 WeakPolarHBondContact O-CB 3.36Å; A164-N168 PolarHBondContact O-N 3.47Å; A164-N168 PolarHBondContact O-ND2 2.66Å; N168-L170 PolarHBondContact O-N 3.5Å; N168-F171 WeakPolarHBondContact O-CB 3.09Å; N168-F171 PolarHBondContact O-N 3.24Å; N168-W172 PolarHBondContact O-N 3.42Å; N168-Y289 VanDerWaalsContact OD1-CE2 3.27Å; N168-Y289 WeakPolarHBondContact OD1-CE2 3.35Å; N168-Y289 PolarHBondContact OD1-OH 3.08Å |
| 169 | G | 85 | Confident | 80.1 | Confident | 30 Ų | 30 | 68.3 Ų | 68.3 | 31% | 0.309 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | A165 A166 W172 L173 | A165-G169 PolarHBondContact O-N 2.77Å; A166-G169 PolarHBondContact O-N 3.49Å; G169-W172 PolarHBondContact O-N 3.32Å; G169-L173 WeakPolarHBondContact O-CB 3.22Å; G169-L173 VanDerWaalsContact O-CG 3.24Å; G169-L173 WeakPolarHBondContact O-CG 3.43Å; G169-L173 PolarHBondContact O-N 2.91Å |
| 170 | L | 84.5 | Confident | 80.2 | Confident | 88 Ų | 88 | 72 Ų | 72 | 46% | 0.461 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 172.7 | 179.1 | 61 | 0 | 0 | 0 | 111.3 | A166 N168 W172 L173 L174 | A166-L170 WeakPolarHBondContact O-CB 3.47Å; A166-L170 PolarHBondContact O-N 2.92Å; N168-L170 PolarHBondContact O-N 3.5Å; L170-W172 PolarHBondContact O-N 2.94Å; L170-L173 PolarHBondContact O-N 2.81Å; L170-L174 HydrophobicContact CD1-CD1 4.02Å; L170-L174 HydrophobicContact CD1-CG 4.06Å; L170-L174 HydrophobicContact CG-CD1 3.86Å; L170-L174 HydrophobicContact CG-CG 4.35Å; L170-L174 WeakPolarHBondContact O-CB 3.19Å; L170-L174 WeakPolarHBondContact O-CG 3.2Å; L170-L174 PolarHBondContact O-N 3.12Å |
| 171 | F | 84.6 | Confident | 79.4 | Confident | 29 Ų | 29 | 76.2 Ų | 76.2 | 13% | 0.127 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -58.5 | -47.5 | 174.5 | 175.9 | -87.5 | 0 | 0 | 0 | 111.9 | L167 N168 L173 L174 S175 I285 S288 Y289 L292 | L167-F171 VanDerWaalsContact O-CB 3.31Å; L167-F171 WeakPolarHBondContact O-CB 3.39Å; L167-F171 PolarHBondContact O-N 2.99Å; N168-F171 WeakPolarHBondContact O-CB 3.09Å; N168-F171 PolarHBondContact O-N 3.24Å; F171-L173 PolarHBondContact O-N 2.9Å; F171-L174 PolarHBondContact O-N 2.9Å; F171-S175 VanDerWaalsContact O-CB 3.31Å; F171-S175 WeakPolarHBondContact O-CB 3.37Å; F171-S175 PolarHBondContact O-N 3.43Å; F171-I285 HydrophobicContact CE1-CG2 3.98Å; F171-I285 HydrophobicContact CZ-CG2 4.04Å; F171-I285 WeakPolarHBondContact CZ-O 3.24Å; F171-S288 WeakPolarHBondContact CE2-OG 3.48Å; F171-S288 WeakPolarHBondContact CZ-OG 3.47Å; F171-Y289 AromaticContact CD1-CD2 3.66Å; F171-Y289 HydrophobicContact CD1-CD2 3.66Å; F171-Y289 HydrophobicContact CD1-CE2 4.39Å; F171-Y289 AromaticContact CE1-CD2 3.62Å; F171-Y289 HydrophobicContact CE1-CD2 3.62Å; F171-Y289 HydrophobicContact CE1-CG 4.04Å; F171-Y289 HydrophobicContact CG-CD2 4.4Å; F171-Y289 HydrophobicContact CZ-CD2 4.31Å; F171-Y289 HydrophobicContact CZ-CG 4.5Å; F171-L292 HydrophobicContact CB-CD2 3.55Å; F171-L292 HydrophobicContact CD2-CD2 3.69Å; F171-L292 HydrophobicContact CG-CD2 3.7Å |
| 172 | W | 85.3 | Confident | 78.8 | Confident | 132 Ų | 132 | 79.5 Ų | 79.5 | 50% | 0.5 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.2 | -35.6 | 176.8 | -75.3 | 111.6 | 0 | 0 | 0 | 112.6 | N168 G169 L170 S175 S176 Y289 | N168-W172 PolarHBondContact O-N 3.42Å; G169-W172 PolarHBondContact O-N 3.32Å; L170-W172 PolarHBondContact O-N 2.94Å; W172-S175 PolarHBondContact O-N 2.95Å; W172-S176 WeakPolarHBondContact O-CB 3.3Å; W172-S176 PolarHBondContact O-N 3.24Å; W172-S176 PolarHBondContact O-OG 3.41Å; W172-Y289 HydrophobicContact CZ2-CE2 4.47Å; W172-Y289 AromaticContact NE1-CE2 3.86Å |
| 173 | L | 81.3 | Confident | 78.2 | Confident | 112 Ų | 112 | 79.2 Ų | 79.2 | 59% | 0.586 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -66.4 | -42 | 173.2 | -75.3 | 166.6 | 0 | 0 | 0 | 112.6 | G169 L170 F171 S175 S176 S177 | G169-L173 WeakPolarHBondContact O-CB 3.22Å; G169-L173 VanDerWaalsContact O-CG 3.24Å; G169-L173 WeakPolarHBondContact O-CG 3.43Å; G169-L173 PolarHBondContact O-N 2.91Å; L170-L173 PolarHBondContact O-N 2.81Å; F171-L173 PolarHBondContact O-N 2.9Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S176 WeakPolarHBondContact CA-OG 3.26Å; L173-S176 PolarHBondContact O-N 3.41Å; L173-S176 PolarHBondContact O-OG 3.47Å; L173-S177 WeakPolarHBondContact O-CB 3.43Å; L173-S177 PolarHBondContact O-N 2.94Å; L173-S177 PolarHBondContact O-OG 2.92Å |
| 174 | L | 76.6 | Confident | 77.6 | Confident | 67 Ų | 67 | 80.2 Ų | 80.2 | 35% | 0.351 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68.4 | -33.8 | 175 | -65.6 | 168.6 | 0 | 0 | 0 | 111.1 | L170 F171 S177 L184 | L170-L174 HydrophobicContact CD1-CD1 4.02Å; L170-L174 HydrophobicContact CD1-CG 4.06Å; L170-L174 HydrophobicContact CG-CD1 3.86Å; L170-L174 HydrophobicContact CG-CG 4.35Å; L170-L174 WeakPolarHBondContact O-CB 3.19Å; L170-L174 WeakPolarHBondContact O-CG 3.2Å; L170-L174 PolarHBondContact O-N 3.12Å; F171-L174 PolarHBondContact O-N 2.9Å; L174-S177 WeakPolarHBondContact O-CB 3.1Å; L174-S177 PolarHBondContact O-N 2.91Å; L174-L184 HydrophobicContact CB-CD2 4.41Å; L174-L184 HydrophobicContact CD2-CD2 3.66Å |
| 175 | S | 79.2 | Confident | 77.3 | Confident | 37 Ų | 37 | 84.2 Ų | 84.2 | 26% | 0.259 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -74 | -33.5 | 173.7 | 179.4 | 0 | 0 | 0 | 0 | 113.5 | F171 W172 L173 S177 I285 | F171-S175 VanDerWaalsContact O-CB 3.31Å; F171-S175 WeakPolarHBondContact O-CB 3.37Å; F171-S175 PolarHBondContact O-N 3.43Å; W172-S175 PolarHBondContact O-N 2.95Å; L173-S175 VanDerWaalsContact C-N 3.33Å; S175-S177 VanDerWaalsContact C-N 3.26Å; S175-I285 WeakPolarHBondContact OG-CD1 3.41Å; S175-I285 WeakPolarHBondContact OG-CG1 3.43Å; S175-I285 WeakPolarHBondContact OG-CG2 3.3Å |
| 176 | S | 76.6 | Confident | 77.1 | Confident | 89 Ų | 89 | 84.2 Ų | 84.2 | 62% | 0.622 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -75.8 | -21.1 | 173.2 | 65.1 | 0 | 0 | 0 | 0 | 111.9 | W172 L173 S178 | W172-S176 WeakPolarHBondContact O-CB 3.3Å; W172-S176 PolarHBondContact O-N 3.24Å; W172-S176 PolarHBondContact O-OG 3.41Å; L173-S176 WeakPolarHBondContact CA-OG 3.26Å; L173-S176 PolarHBondContact O-N 3.41Å; L173-S176 PolarHBondContact O-OG 3.47Å; S176-S178 PolarHBondContact O-N 3.35Å |
| 177 | S | 75.8 | Confident | 76.8 | Confident | 42 Ų | 42 | 84 Ų | 84 | 29% | 0.294 | 45% | 0.45 | S | S | . | . | trans | -75.9 | 107.3 | 174.1 | -70.2 | 0 | 0 | 0 | 0 | 110.7 | L173 L174 S175 L179 | L173-S177 WeakPolarHBondContact O-CB 3.43Å; L173-S177 PolarHBondContact O-N 2.94Å; L173-S177 PolarHBondContact O-OG 2.92Å; L174-S177 WeakPolarHBondContact O-CB 3.1Å; L174-S177 PolarHBondContact O-N 2.91Å; S175-S177 VanDerWaalsContact C-N 3.26Å; S177-L179 PolarHBondContact O-N 3.11Å | ||
| 178 | S | 63.2 | Low | 76.4 | Confident | 123 Ų | 123 | 84.4 Ų | 84.4 | 86% | 0.86 | 46% | 0.458 | S | S | * | . | trans | -68.5 | 25.5 | 163.4 | 55.7 | 0 | 0 | 0 | 0 | 113.3 | S176 R180 | S176-S178 PolarHBondContact O-N 3.35Å; S178-R180 PolarHBondContact O-N 2.96Å | ||
| 179 | L | 60.6 | Low | 76.1 | Confident | 76 Ų | 76 | 87 Ų | 87 | 40% | 0.398 | 47% | 0.472 | S | S | . | . | trans | -79.8 | 122.2 | -176.3 | -63.6 | 174.1 | 0 | 0 | 0 | 108.9 | S177 F183 | S177-L179 PolarHBondContact O-N 3.11Å; L179-F183 HydrophobicContact CB-CB 4.08Å; L179-F183 HydrophobicContact CB-CD1 3.65Å; L179-F183 HydrophobicContact CB-CE1 4.35Å; L179-F183 HydrophobicContact CB-CG 3.98Å; L179-F183 HydrophobicContact CD1-CD1 3.56Å; L179-F183 HydrophobicContact CD1-CE1 3.34Å; L179-F183 HydrophobicContact CD1-CG 4.25Å; L179-F183 HydrophobicContact CD1-CZ 3.88Å; L179-F183 HydrophobicContact CG-CD1 4.14Å; L179-F183 HydrophobicContact CG-CE1 4.39Å | ||
| 180 | R | 74.2 | Confident | 76.1 | Confident | 202 Ų | 202 | 90.5 Ų | 90.5 | 76% | 0.762 | 48% | 0.483 | S | S | * | . | trans | -48.5 | 150.2 | -174.1 | -61.8 | 174.7 | -177 | 171.7 | -0 | 111.3 | S178 F182 F183 L184 | S178-R180 PolarHBondContact O-N 2.96Å; R180-F182 PolarHBondContact O-N 3.19Å; R180-F183 WeakPolarHBondContact O-CA 3.08Å; R180-F183 WeakPolarHBondContact O-CB 3.5Å; R180-F183 PolarHBondContact O-N 2.83Å; R180-L184 PolarHBondContact O-N 3.19Å | ||
| 181 | P | 63.7 | Low | 75.9 | Confident | 95 Ų | 95 | 88.3 Ų | 88.3 | 62% | 0.617 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -54.3 | -28.8 | -176.1 | 19.5 | -33.1 | 0 | 0 | 0 | 114.2 | F183 L184 L185 | P181-F183 VanDerWaalsContact C-N 3.32Å; P181-F183 PolarHBondContact O-N 3.02Å; P181-L184 PolarHBondContact O-N 3.28Å; P181-L185 WeakPolarHBondContact O-CB 3.19Å; P181-L185 PolarHBondContact O-N 3.4Å |
| 182 | F | 70.2 | Confident | 75.7 | Confident | 162 Ų | 162 | 92.6 Ų | 92.6 | 71% | 0.711 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.8 | -29.9 | 172.6 | -58.1 | -72.7 | 0 | 0 | 0 | 114.6 | R180 S186 | R180-F182 PolarHBondContact O-N 3.19Å; F182-S186 WeakPolarHBondContact O-CB 3.21Å; F182-S186 PolarHBondContact O-N 2.77Å; F182-S186 PolarHBondContact O-OG 3.27Å |
| 183 | F | 71.9 | Confident | 75.5 | Confident | 94 Ų | 94 | 91.9 Ų | 91.9 | 41% | 0.412 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -75.2 | -40.8 | 172.9 | -176.7 | -85.3 | 0 | 0 | 0 | 111.2 | L179 R180 P181 L185 S186 V187 | L179-F183 HydrophobicContact CB-CB 4.08Å; L179-F183 HydrophobicContact CB-CD1 3.65Å; L179-F183 HydrophobicContact CB-CE1 4.35Å; L179-F183 HydrophobicContact CB-CG 3.98Å; L179-F183 HydrophobicContact CD1-CD1 3.56Å; L179-F183 HydrophobicContact CD1-CE1 3.34Å; L179-F183 HydrophobicContact CD1-CG 4.25Å; L179-F183 HydrophobicContact CD1-CZ 3.88Å; L179-F183 HydrophobicContact CG-CD1 4.14Å; L179-F183 HydrophobicContact CG-CE1 4.39Å; R180-F183 WeakPolarHBondContact O-CA 3.08Å; R180-F183 WeakPolarHBondContact O-CB 3.5Å; R180-F183 PolarHBondContact O-N 2.83Å; P181-F183 VanDerWaalsContact C-N 3.32Å; P181-F183 PolarHBondContact O-N 3.02Å; F183-L185 VanDerWaalsContact C-N 3.28Å; F183-L185 PolarHBondContact O-N 2.76Å; F183-S186 WeakPolarHBondContact CA-OG 3.23Å; F183-S186 PolarHBondContact O-N 2.73Å; F183-S186 PolarHBondContact O-OG 2.93Å; F183-S186 VanDerWaalsContact O-OG 3.1Å; F183-V187 HydrophobicContact CD1-CG2 3.89Å; F183-V187 HydrophobicContact CE1-CB 4.49Å; F183-V187 HydrophobicContact CE1-CG2 3.38Å; F183-V187 HydrophobicContact CE2-CG2 4.31Å; F183-V187 HydrophobicContact CZ-CG2 3.63Å; F183-V187 WeakPolarHBondContact O-CB 3.26Å; F183-V187 WeakPolarHBondContact O-CG2 3.48Å; F183-V187 PolarHBondContact O-N 2.95Å |
| 184 | L | 70.8 | Confident | 75.4 | Confident | 67 Ų | 67 | 90.3 Ų | 90.3 | 35% | 0.351 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 172.7 | -60 | 175.3 | 0 | 0 | 0 | 110.5 | L174 R180 P181 S188 | L174-L184 HydrophobicContact CB-CD2 4.41Å; L174-L184 HydrophobicContact CD2-CD2 3.66Å; R180-L184 PolarHBondContact O-N 3.19Å; P181-L184 PolarHBondContact O-N 3.28Å; L184-S188 WeakPolarHBondContact O-CB 3.46Å; L184-S188 PolarHBondContact O-N 2.91Å |
| 185 | L | 76.3 | Confident | 75.3 | Confident | 102 Ų | 102 | 91.6 Ų | 91.6 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 172.6 | -169.6 | 80.7 | 0 | 0 | 0 | 111.9 | P181 F183 S188 L189 | P181-L185 WeakPolarHBondContact O-CB 3.19Å; P181-L185 PolarHBondContact O-N 3.4Å; F183-L185 VanDerWaalsContact C-N 3.28Å; F183-L185 PolarHBondContact O-N 2.76Å; L185-S188 PolarHBondContact O-N 3.15Å; L185-L189 HydrophobicContact CD2-CD1 4.48Å; L185-L189 HydrophobicContact CG-CD1 4.11Å; L185-L189 WeakPolarHBondContact O-CB 3.28Å; L185-L189 VanDerWaalsContact O-CG 3.3Å; L185-L189 WeakPolarHBondContact O-CG 3.2Å; L185-L189 PolarHBondContact O-N 2.95Å |
| 186 | S | 80.1 | Confident | 75.2 | Confident | 60 Ų | 60 | 93.2 Ų | 93.2 | 42% | 0.42 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70 | -33.9 | -178.4 | 70.3 | 0 | 0 | 0 | 0 | 113 | F182 F183 L190 | F182-S186 WeakPolarHBondContact O-CB 3.21Å; F182-S186 PolarHBondContact O-N 2.77Å; F182-S186 PolarHBondContact O-OG 3.27Å; F183-S186 WeakPolarHBondContact CA-OG 3.23Å; F183-S186 PolarHBondContact O-N 2.73Å; F183-S186 PolarHBondContact O-OG 2.93Å; F183-S186 VanDerWaalsContact O-OG 3.1Å; S186-L190 WeakPolarHBondContact O-CB 3.44Å; S186-L190 PolarHBondContact O-N 3.41Å |
| 187 | V | 79.4 | Confident | 75.3 | Confident | 56 Ų | 56 | 94.6 Ų | 94.6 | 34% | 0.339 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71 | -37.7 | 171.7 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | F183 L190 A191 | F183-V187 HydrophobicContact CD1-CG2 3.89Å; F183-V187 HydrophobicContact CE1-CB 4.49Å; F183-V187 HydrophobicContact CE1-CG2 3.38Å; F183-V187 HydrophobicContact CE2-CG2 4.31Å; F183-V187 HydrophobicContact CZ-CG2 3.63Å; F183-V187 WeakPolarHBondContact O-CB 3.26Å; F183-V187 WeakPolarHBondContact O-CG2 3.48Å; F183-V187 PolarHBondContact O-N 2.95Å; V187-L190 PolarHBondContact O-N 3.44Å; V187-A191 VanDerWaalsContact O-CB 3.25Å; V187-A191 WeakPolarHBondContact O-CB 3.45Å; V187-A191 PolarHBondContact O-N 2.81Å |
| 188 | S | 79 | Confident | 75 | Confident | 78 Ų | 78 | 99.6 Ų | 99.6 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 173.5 | 179.3 | 0 | 0 | 0 | 0 | 111.8 | L184 L185 A191 Y192 | L184-S188 WeakPolarHBondContact O-CB 3.46Å; L184-S188 PolarHBondContact O-N 2.91Å; L185-S188 PolarHBondContact O-N 3.15Å; S188-A191 PolarHBondContact O-N 2.74Å; S188-Y192 WeakPolarHBondContact O-CB 3.47Å; S188-Y192 PolarHBondContact O-N 3.46Å |
| 189 | L | 80.9 | Confident | 75.2 | Confident | 87 Ų | 87 | 96.2 Ų | 96.2 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | 173.8 | -72.2 | 168.6 | 0 | 0 | 0 | 111.9 | L185 Y192 F193 | L185-L189 HydrophobicContact CD2-CD1 4.48Å; L185-L189 HydrophobicContact CG-CD1 4.11Å; L185-L189 WeakPolarHBondContact O-CB 3.28Å; L185-L189 VanDerWaalsContact O-CG 3.3Å; L185-L189 WeakPolarHBondContact O-CG 3.2Å; L185-L189 PolarHBondContact O-N 2.95Å; L189-Y192 PolarHBondContact O-N 3.24Å; L189-F193 WeakPolarHBondContact O-CD2 3.21Å; L189-F193 PolarHBondContact O-N 2.9Å |
| 190 | L | 84.6 | Confident | 75.4 | Confident | 102 Ų | 102 | 96.4 Ų | 96.4 | 53% | 0.534 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 175.2 | 179.5 | 61.1 | 0 | 0 | 0 | 111.4 | S186 V187 F193 L194 | S186-L190 WeakPolarHBondContact O-CB 3.44Å; S186-L190 PolarHBondContact O-N 3.41Å; V187-L190 PolarHBondContact O-N 3.44Å; L190-F193 PolarHBondContact O-N 2.84Å; L190-L194 HydrophobicContact CD1-CD1 4.28Å; L190-L194 HydrophobicContact CD1-CG 4.32Å; L190-L194 HydrophobicContact CG-CD1 4.05Å; L190-L194 WeakPolarHBondContact O-CB 3.44Å; L190-L194 VanDerWaalsContact O-CG 3.23Å; L190-L194 WeakPolarHBondContact O-CG 2.96Å; L190-L194 PolarHBondContact O-N 3.45Å |
| 191 | A | 80.1 | Confident | 74.9 | Confident | 42 Ų | 42 | 96 Ų | 96 | 35% | 0.347 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V187 S188 L194 L195 | V187-A191 VanDerWaalsContact O-CB 3.25Å; V187-A191 WeakPolarHBondContact O-CB 3.45Å; V187-A191 PolarHBondContact O-N 2.81Å; S188-A191 PolarHBondContact O-N 2.74Å; A191-L194 PolarHBondContact O-N 3.48Å; A191-L195 WeakPolarHBondContact O-CD1 3.32Å; A191-L195 PolarHBondContact O-N 3.09Å |
| 192 | Y | 79.6 | Confident | 74.6 | Confident | 119 Ų | 119 | 96.8 Ų | 96.8 | 47% | 0.467 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.7 | -49.6 | 173.2 | 177 | -86 | 0 | 0 | 0 | 111.6 | W141 S188 L189 L194 L195 D196 | W141-Y192 HydrophobicContact CH2-CE2 4.17Å; W141-Y192 HydrophobicContact CZ2-CE2 4.21Å; S188-Y192 WeakPolarHBondContact O-CB 3.47Å; S188-Y192 PolarHBondContact O-N 3.46Å; L189-Y192 PolarHBondContact O-N 3.24Å; Y192-L194 VanDerWaalsContact C-N 3.32Å; Y192-L194 PolarHBondContact O-N 2.65Å; Y192-L195 PolarHBondContact O-N 3.1Å; Y192-D196 HydrophobicContact CE1-CB 4.42Å; Y192-D196 WeakPolarHBondContact O-CB 3.35Å; Y192-D196 PolarHBondContact O-N 3.22Å |
| 193 | F | 81.9 | Confident | 74 | Confident | 117 Ų | 117 | 90.5 Ų | 90.5 | 51% | 0.513 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.5 | -35.1 | 176.7 | -78.5 | -60.5 | 0 | 0 | 0 | 112.8 | L189 L190 D196 L197 | L189-F193 WeakPolarHBondContact O-CD2 3.21Å; L189-F193 PolarHBondContact O-N 2.9Å; L190-F193 PolarHBondContact O-N 2.84Å; F193-D196 PolarHBondContact O-N 3.3Å; F193-L197 VanDerWaalsContact O-CB 3.28Å; F193-L197 WeakPolarHBondContact O-CB 3.36Å; F193-L197 WeakPolarHBondContact O-CD1 3.31Å; F193-L197 WeakPolarHBondContact O-CG 3.27Å; F193-L197 PolarHBondContact O-N 2.8Å |
| 194 | L | 78.4 | Confident | 73.1 | Confident | 80 Ų | 80 | 89.4 Ų | 89.4 | 42% | 0.419 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.2 | -40.9 | 174 | -73.9 | 169 | 0 | 0 | 0 | 111.4 | L190 A191 Y192 L197 W198 | L190-L194 HydrophobicContact CD1-CD1 4.28Å; L190-L194 HydrophobicContact CD1-CG 4.32Å; L190-L194 HydrophobicContact CG-CD1 4.05Å; L190-L194 WeakPolarHBondContact O-CB 3.44Å; L190-L194 VanDerWaalsContact O-CG 3.23Å; L190-L194 WeakPolarHBondContact O-CG 2.96Å; L190-L194 PolarHBondContact O-N 3.45Å; A191-L194 PolarHBondContact O-N 3.48Å; Y192-L194 VanDerWaalsContact C-N 3.32Å; Y192-L194 PolarHBondContact O-N 2.65Å; L194-L197 PolarHBondContact O-N 3.01Å; L194-W198 VanDerWaalsContact O-CB 3.26Å; L194-W198 WeakPolarHBondContact O-CB 3.12Å; L194-W198 VanDerWaalsContact O-CG 3.28Å; L194-W198 PolarHBondContact O-N 3.09Å |
| 195 | L | 75.4 | Confident | 71.8 | Confident | 94 Ų | 94 | 92 Ų | 92 | 49% | 0.492 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 171.5 | -92.9 | 77.5 | 0 | 0 | 0 | 111.1 | W141 A191 Y192 L197 W198 Q199 | W141-L195 HydrophobicContact CZ3-CD2 4.47Å; A191-L195 WeakPolarHBondContact O-CD1 3.32Å; A191-L195 PolarHBondContact O-N 3.09Å; Y192-L195 PolarHBondContact O-N 3.1Å; L195-L197 VanDerWaalsContact C-N 3.33Å; L195-L197 PolarHBondContact O-N 2.83Å; L195-W198 CarbonylContact O-C 3.55Å; L195-W198 PolarHBondContact O-N 3.42Å; L195-W198 VanDerWaalsContact O-N 3.12Å; L195-Q199 VanDerWaalsContact O-CB 3.26Å; L195-Q199 WeakPolarHBondContact O-CB 3.43Å; L195-Q199 PolarHBondContact O-N 2.88Å |
| 196 | D | 76.6 | Confident | 70.4 | Confident | 71 Ų | 71 | 90.7 Ų | 90.7 | 38% | 0.38 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.1 | -39 | 178.2 | -162.6 | 65.4 | 0 | 0 | 0 | 112 | Y192 F193 P200 | Y192-D196 HydrophobicContact CE1-CB 4.42Å; Y192-D196 WeakPolarHBondContact O-CB 3.35Å; Y192-D196 PolarHBondContact O-N 3.22Å; F193-D196 PolarHBondContact O-N 3.3Å; D196-P200 VanDerWaalsContact O-CD 3.24Å; D196-P200 WeakPolarHBondContact O-CD 3.29Å |
| 197 | L | 78.6 | Confident | 68.7 | Low | 118 Ų | 118 | 91.8 Ų | 91.8 | 62% | 0.618 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -73 | -25.5 | 174 | -73.6 | 166 | 0 | 0 | 0 | 114 | F193 L194 L195 | F193-L197 VanDerWaalsContact O-CB 3.28Å; F193-L197 WeakPolarHBondContact O-CB 3.36Å; F193-L197 WeakPolarHBondContact O-CD1 3.31Å; F193-L197 WeakPolarHBondContact O-CG 3.27Å; F193-L197 PolarHBondContact O-N 2.8Å; L194-L197 PolarHBondContact O-N 3.01Å; L195-L197 VanDerWaalsContact C-N 3.33Å; L195-L197 PolarHBondContact O-N 2.83Å |
| 198 | W | 69 | Low | 66.5 | Low | 146 Ų | 146 | 93.1 Ų | 93.1 | 55% | 0.553 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -95.9 | -24.2 | -178.5 | -74.3 | 42.3 | 0 | 0 | 0 | 112.4 | L194 L195 R201 F202 | L194-W198 VanDerWaalsContact O-CB 3.26Å; L194-W198 WeakPolarHBondContact O-CB 3.12Å; L194-W198 VanDerWaalsContact O-CG 3.28Å; L194-W198 PolarHBondContact O-N 3.09Å; L195-W198 CarbonylContact O-C 3.55Å; L195-W198 PolarHBondContact O-N 3.42Å; L195-W198 VanDerWaalsContact O-N 3.12Å; W198-R201 WeakPolarHBondContact O-CA 3.38Å; W198-R201 PolarHBondContact O-N 3.08Å; W198-F202 HydrophobicContact CB-CD2 4.06Å; W198-F202 HydrophobicContact CB-CE2 4.33Å; W198-F202 HydrophobicContact CD2-CD2 4.31Å; W198-F202 AromaticContact CD2-CE2 3.71Å; W198-F202 HydrophobicContact CD2-CE2 3.71Å; W198-F202 AromaticContact CE3-CD2 3.82Å; W198-F202 HydrophobicContact CE3-CD2 3.82Å; W198-F202 AromaticContact CE3-CE2 3.13Å; W198-F202 HydrophobicContact CE3-CE2 3.13Å; W198-F202 AromaticContact CE3-CZ 3.6Å; W198-F202 HydrophobicContact CE3-CZ 3.6Å; W198-F202 HydrophobicContact CG-CD2 4.46Å; W198-F202 HydrophobicContact CG-CE2 4.23Å; W198-F202 HydrophobicContact CH2-CZ 4.49Å; W198-F202 AromaticContact CZ3-CE2 3.63Å; W198-F202 HydrophobicContact CZ3-CE2 3.63Å; W198-F202 AromaticContact CZ3-CZ 3.59Å; W198-F202 HydrophobicContact CZ3-CZ 3.59Å; W198-F202 PolarHBondContact O-N 2.75Å |
| 199 | Q | 68.6 | Low | 64.4 | Low | 52 Ų | 52 | 93.4 Ų | 93.4 | 24% | 0.243 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -46 | -51.9 | 174.6 | -179.3 | -79.4 | -17.2 | 0 | 0 | 112.8 | G140 L195 R201 L203 | G140-Q199 PolarHBondContact O-NE2 3.19Å; L195-Q199 VanDerWaalsContact O-CB 3.26Å; L195-Q199 WeakPolarHBondContact O-CB 3.43Å; L195-Q199 PolarHBondContact O-N 2.88Å; Q199-R201 PolarHBondContact O-N 3.26Å; Q199-R201 VanDerWaalsContact O-N 3.16Å; Q199-L203 HydrophobicContact CG-CD1 3.84Å; Q199-L203 WeakPolarHBondContact O-CB 3.39Å; Q199-L203 WeakPolarHBondContact O-CG 3.44Å; Q199-L203 PolarHBondContact O-N 3.19Å |
| 200 | P | 64.7 | Low | 62.1 | Low | 80 Ų | 80 | 93.7 Ų | 93.7 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -76 | -5.5 | -177.8 | 31.4 | -36.7 | 0 | 0 | 0 | 113.2 | D196 P204 | D196-P200 VanDerWaalsContact O-CD 3.24Å; D196-P200 WeakPolarHBondContact O-CD 3.29Å; P200-P204 WeakPolarHBondContact O-CG 3.22Å |
| 201 | R | 64 | Low | 59.9 | Low | 195 Ų | 195 | 94.1 Ų | 94.1 | 74% | 0.736 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -108.9 | -28.7 | -170.6 | -164.8 | 169.8 | -172 | 144.4 | 3.5 | 114.3 | W198 Q199 | W198-R201 WeakPolarHBondContact O-CA 3.38Å; W198-R201 PolarHBondContact O-N 3.08Å; Q199-R201 PolarHBondContact O-N 3.26Å; Q199-R201 VanDerWaalsContact O-N 3.16Å |
| 202 | F | 57.1 | Low | 57.8 | Low | 110 Ų | 110 | 101 Ų | 101 | 48% | 0.482 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -102.8 | -24.5 | 178.1 | -75.6 | -95.9 | 0 | 0 | 0 | 113.5 | W198 P204 | W198-F202 HydrophobicContact CB-CD2 4.06Å; W198-F202 HydrophobicContact CB-CE2 4.33Å; W198-F202 HydrophobicContact CD2-CD2 4.31Å; W198-F202 AromaticContact CD2-CE2 3.71Å; W198-F202 HydrophobicContact CD2-CE2 3.71Å; W198-F202 AromaticContact CE3-CD2 3.82Å; W198-F202 HydrophobicContact CE3-CD2 3.82Å; W198-F202 AromaticContact CE3-CE2 3.13Å; W198-F202 HydrophobicContact CE3-CE2 3.13Å; W198-F202 AromaticContact CE3-CZ 3.6Å; W198-F202 HydrophobicContact CE3-CZ 3.6Å; W198-F202 HydrophobicContact CG-CD2 4.46Å; W198-F202 HydrophobicContact CG-CE2 4.23Å; W198-F202 HydrophobicContact CH2-CZ 4.49Å; W198-F202 AromaticContact CZ3-CE2 3.63Å; W198-F202 HydrophobicContact CZ3-CE2 3.63Å; W198-F202 AromaticContact CZ3-CZ 3.59Å; W198-F202 HydrophobicContact CZ3-CZ 3.59Å; W198-F202 PolarHBondContact O-N 2.75Å; F202-P204 VanDerWaalsContact C-CD 3.49Å |
| 203 | L | 57.5 | Low | 55.6 | Low | 31 Ų | 31 | 103.9 Ų | 103.9 | 16% | 0.162 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -70.3 | -29.3 | 179 | -62.9 | -173.7 | 0 | 0 | 0 | 115.6 | A143 V144 Q199 V206 S207 | A143-L203 HydrophobicContact CB-CD1 4.29Å; A143-L203 HydrophobicContact CB-CD2 3.64Å; A143-L203 HydrophobicContact CB-CG 4.43Å; V144-L203 HydrophobicContact CG2-CD1 4.17Å; V144-L203 HydrophobicContact CG2-CD2 4.21Å; Q199-L203 HydrophobicContact CG-CD1 3.84Å; Q199-L203 WeakPolarHBondContact O-CB 3.39Å; Q199-L203 WeakPolarHBondContact O-CG 3.44Å; Q199-L203 PolarHBondContact O-N 3.19Å; L203-V206 PolarHBondContact O-N 3.34Å; L203-S207 WeakPolarHBondContact O-CB 3.06Å; L203-S207 PolarHBondContact O-N 2.79Å; L203-S207 PolarHBondContact O-OG 2.72Å |
| 204 | P | 53.3 | Low | 53.7 | Low | 70 Ų | 70 | 103.8 Ų | 103.8 | 46% | 0.455 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.1 | -47.9 | 174.2 | -25.3 | 35.3 | 0 | 0 | 0 | 112.6 | P200 F202 V206 S207 A208 | P200-P204 WeakPolarHBondContact O-CG 3.22Å; F202-P204 VanDerWaalsContact C-CD 3.49Å; P204-V206 PolarHBondContact O-N 2.73Å; P204-S207 PolarHBondContact O-N 3.21Å; P204-S207 VanDerWaalsContact O-N 3.13Å; P204-A208 WeakPolarHBondContact O-CB 3.18Å; P204-A208 PolarHBondContact O-N 3.38Å |
| 205 | D | 42 | Very low | 51.8 | Low | 122 Ų | 122 | 108.8 Ų | 108.8 | 65% | 0.652 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.4 | -34.4 | -177.2 | -65.4 | -21.4 | 0 | 0 | 0 | 112.3 | S209 | D205-S209 PolarHBondContact O-N 2.99Å |
| 206 | V | 46.6 | Very low | 49.5 | Very low | 74 Ų | 74 | 110 Ų | 110 | 45% | 0.448 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.8 | -38.7 | 172.6 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | L203 P204 A208 S209 | L203-V206 PolarHBondContact O-N 3.34Å; P204-V206 PolarHBondContact O-N 2.73Å; V206-A208 VanDerWaalsContact C-N 3.34Å; V206-S209 PolarHBondContact O-N 3.08Å; V206-S209 VanDerWaalsContact O-N 3.1Å; V206-S209 PolarHBondContact O-OG 3.49Å |
| 207 | S | 45 | Very low | 47.8 | Very low | 83 Ų | 83 | 114.3 Ų | 114.3 | 58% | 0.58 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.3 | -34 | 178.7 | -51.9 | 0 | 0 | 0 | 0 | 111.9 | L203 P204 S209 S210 | L203-S207 WeakPolarHBondContact O-CB 3.06Å; L203-S207 PolarHBondContact O-N 2.79Å; L203-S207 PolarHBondContact O-OG 2.72Å; P204-S207 PolarHBondContact O-N 3.21Å; P204-S207 VanDerWaalsContact O-N 3.13Å; S207-S209 PolarHBondContact O-N 2.82Å; S207-S210 PolarHBondContact O-N 3.4Å |
| 208 | A | 33.5 | Very low | 45.9 | Very low | 84 Ų | 84 | 114.2 Ų | 114.2 | 69% | 0.694 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -4.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | P204 V206 | P204-A208 WeakPolarHBondContact O-CB 3.18Å; P204-A208 PolarHBondContact O-N 3.38Å; V206-A208 VanDerWaalsContact C-N 3.34Å |
| 209 | S | 34.7 | Very low | 44.3 | Very low | 85 Ų | 85 | 116.3 Ų | 116.3 | 59% | 0.594 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 13.9 | 176.1 | 74.4 | 0 | 0 | 0 | 0 | 114.2 | D205 V206 S207 P211 | D205-S209 PolarHBondContact O-N 2.99Å; V206-S209 PolarHBondContact O-N 3.08Å; V206-S209 VanDerWaalsContact O-N 3.1Å; V206-S209 PolarHBondContact O-OG 3.49Å; S207-S209 PolarHBondContact O-N 2.82Å; S209-P211 WeakPolarHBondContact O-CD 3.21Å |
| 210 | S | 33.4 | Very low | 42.7 | Very low | 93 Ų | 93 | 117.3 Ų | 117.3 | 65% | 0.65 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -64.7 | 126.4 | 158.2 | -170.8 | 0 | 0 | 0 | 0 | 109.3 | S207 E212 | S207-S210 PolarHBondContact O-N 3.4Å; S210-E212 PolarHBondContact O-N 2.81Å |
| 211 | P | 38.8 | Very low | 41.4 | Very low | 111 Ų | 111 | 119.1 Ų | 119.1 | 72% | 0.721 | 70% | 0.696 | S | S | * | * | trans | -63.2 | 118.1 | 170.5 | -20.6 | 33.7 | 0 | 0 | 0 | 110 | S209 E213 | S209-P211 WeakPolarHBondContact O-CD 3.21Å; P211-E213 PolarHBondContact O-N 3.45Å | ||
| 212 | E | 35 | Very low | 39.8 | Very low | 187 Ų | 187 | 113.2 Ų | 113.2 | 87% | 0.874 | 70% | 0.696 | S | S | * | * | trans | -76.7 | 104.1 | 166.5 | -175.8 | 120.3 | 120.9 | 0 | 0 | 108.1 | S210 | S210-E212 PolarHBondContact O-N 2.81Š| ||
| 213 | E | 32.9 | Very low | 38.5 | Very low | 179 Ų | 179 | 114.8 Ų | 114.8 | 84% | 0.836 | 72% | 0.72 | S | S | * | * | trans | -83.6 | 123 | 165.6 | -72.7 | -162.3 | 127.3 | 0 | 0 | 109.4 | P211 | P211-E213 PolarHBondContact O-N 3.45Š| ||
| 214 | P | 42.5 | Very low | 37.6 | Very low | 115 Ų | 115 | 116.2 Ų | 116.2 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | trans | -74.3 | 147.7 | 179 | 31.2 | -34.7 | 0 | 0 | 0 | 111.3 | S216 | P214-S216 PolarHBondContact O-N 3.43Š| ||
| 215 | H | 37.9 | Very low | 36.9 | Very low | 185 Ų | 185 | 117.7 Ų | 117.7 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | -40 | 127 | -178.1 | -51.9 | -81.4 | 0 | 0 | 0 | 116 | ||||
| 216 | S | 28.3 | Very low | 36.5 | Very low | 118 Ų | 118 | 123.3 Ų | 123.3 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -161.2 | 129.2 | 143.7 | -79.1 | 0 | 0 | 0 | 0 | 110.4 | P214 S218 | P214-S216 PolarHBondContact O-N 3.43Å; S216-S218 PolarHBondContact O-N 2.9Å | ||
| 217 | D | 40.5 | Very low | 36.5 | Very low | 162 Ų | 162 | 123.9 Ų | 123.9 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | trans | -84 | 108.5 | -175.6 | -52.1 | -88.1 | 0 | 0 | 0 | 112.2 | ||||
| 218 | S | 38.7 | Very low | 36.5 | Very low | 117 Ų | 117 | 127.3 Ų | 127.3 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -169.8 | -179.7 | 162.7 | -87.2 | 0 | 0 | 0 | 0 | 112.2 | S216 | S216-S218 PolarHBondContact O-N 2.9Š| ||
| 219 | E | 35.9 | Very low | 37.4 | Very low | 190 Ų | 190 | 127 Ų | 127 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | 71.7 | 77.6 | 164.7 | -49.6 | -159.2 | 127.3 | 0 | 0 | 117 | ||||
| 220 | G | 34.3 | Very low | 38.4 | Very low | 73 Ų | 73 | 126.8 Ų | 126.8 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | -69.4 | 167.8 | 140.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 221 | A | 38 | Very low | 39.8 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 98% | 0.975 | 75% | 0.746 | S | S | * | * | trans | 67.6 | 64.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 222 | G | 29.7 | Very low | 40.9 | Very low | 71 Ų | 71 | 120.3 Ų | 120.3 | 73% | 0.732 | 72% | 0.719 | S | S | * | * | trans | -150.2 | 28 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | G224 | G222-G224 PolarHBondContact O-N 3.38Š| ||
| 223 | S | 30.3 | Very low | 42.2 | Very low | 142 Ų | 142 | 115.1 Ų | 115.1 | 99% | 0.993 | 70% | 0.702 | S | S | * | * | trans | -77.9 | 66.3 | -175.6 | -161.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 224 | G | 38.2 | Very low | 44 | Very low | 61 Ų | 61 | 110.7 Ų | 110.7 | 63% | 0.629 | 68% | 0.681 | S | S | * | * | trans | -123.8 | 137.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G222 | G222-G224 PolarHBondContact O-N 3.38Š| ||
| 225 | A | 39.6 | Very low | 45.3 | Very low | 102 Ų | 102 | 108.3 Ų | 108.3 | 84% | 0.843 | 66% | 0.661 | S | S | * | * | trans | 58.9 | 61.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 226 | R | 32.3 | Very low | 46.7 | Very low | 240 Ų | 240 | 99.7 Ų | 99.7 | 91% | 0.906 | 62% | 0.622 | S | S | * | * | trans | -132.8 | 103.4 | 140.3 | -73 | -166.8 | 178 | 111.3 | -0.4 | 109.9 | ||||
| 227 | P | 46.4 | Very low | 48.8 | Very low | 86 Ų | 86 | 99 Ų | 99 | 56% | 0.558 | 60% | 0.601 | S | S | * | * | trans | -77.7 | 131.7 | -170.5 | 29 | -34.1 | 0 | 0 | 0 | 113.9 | L229 Y303 | P227-L229 PolarHBondContact O-N 3.39Å; P227-Y303 PolarHBondContact O-OH 2.89Å | ||
| 228 | H | 46.2 | Very low | 50.5 | Low | 155 Ų | 155 | 96.9 Ų | 96.9 | 72% | 0.718 | 58% | 0.582 | S | S | * | * | trans | 45.1 | 23.9 | 146.6 | -62.4 | -42.9 | 0 | 0 | 0 | 122.4 | L230 Y303 | H228-L230 VanDerWaalsContact C-N 3.29Å; H228-L230 PolarHBondContact O-N 3.33Å; H228-Y303 HydrophobicContact CB-CE2 3.68Å; H228-Y303 WeakPolarHBondContact O-CE2 3.25Å | ||
| 229 | L | 52 | Low | 52.3 | Low | 76 Ų | 76 | 95 Ų | 95 | 40% | 0.398 | 56% | 0.562 | S | S | . | * | trans | -62.4 | 91.5 | 160.2 | -76 | 117.3 | 0 | 0 | 0 | 110.9 | R150 E155 P227 S231 | R150-L229 HydrophobicContact CG-CD2 3.92Å; E155-L229 WeakPolarHBondContact OE1-CD1 3.49Å; E155-L229 WeakPolarHBondContact OE1-CD2 3.23Å; E155-L229 WeakPolarHBondContact OE1-CG 3.35Å; P227-L229 PolarHBondContact O-N 3.39Å; L229-S231 PolarHBondContact O-N 2.95Å | ||
| 230 | L | 55.8 | Low | 54.3 | Low | 81 Ų | 81 | 86 Ų | 86 | 42% | 0.424 | 52% | 0.52 | S | S | . | . | trans | -40.8 | 123 | 163.3 | -86.6 | 149.7 | 0 | 0 | 0 | 108.8 | Q149 H228 E234 Y238 | Q149-L230 PolarHBondContact NE2-O 2.91Å; Q149-L230 PolarHBondContact OE1-O 3.39Å; H228-L230 VanDerWaalsContact C-N 3.29Å; H228-L230 PolarHBondContact O-N 3.33Å; L230-E234 HydrophobicContact CD2-CB 4.43Å; L230-Y238 HydrophobicContact CD2-CD2 4.46Å; L230-Y238 HydrophobicContact CD2-CE2 3.94Å | ||
| 231 | S | 61.7 | Low | 56.5 | Low | 44 Ų | 44 | 86.2 Ų | 86.2 | 31% | 0.308 | 50% | 0.501 | S | S | . | . | trans | -73.2 | 149.9 | -175.9 | 69.8 | 0 | 0 | 0 | 0 | 110.7 | L229 P233 E234 L235 | L229-S231 PolarHBondContact O-N 2.95Å; S231-P233 VanDerWaalsContact C-CD 3.5Å; S231-P233 VanDerWaalsContact C-N 3.32Å; S231-E234 VanDerWaalsContact CB-OE2 3.25Å; S231-E234 WeakPolarHBondContact CB-OE2 3.28Å; S231-E234 PolarHBondContact N-OE2 3.32Å; S231-E234 WeakPolarHBondContact O-CB 3.29Å; S231-E234 PolarHBondContact O-N 2.98Å; S231-E234 VanDerWaalsContact OG-CD 3.23Å; S231-E234 VanDerWaalsContact OG-CG 3.26Å; S231-E234 WeakPolarHBondContact OG-CG 3.46Å; S231-E234 PolarHBondContact OG-N 2.85Å; S231-E234 PolarHBondContact OG-OE2 2.87Å; S231-L235 PolarHBondContact O-N 2.74Å | ||
| 232 | V | 62.4 | Low | 58.4 | Low | 24 Ų | 24 | 83.8 Ų | 83.8 | 15% | 0.145 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -51.5 | -41.9 | 176.5 | -178.5 | 0 | 0 | 0 | 0 | 113.2 | E142 L235 C236 | E142-V232 HydrophobicContact CB-CG1 4.16Å; E142-V232 HydrophobicContact CB-CG2 4.25Å; E142-V232 HydrophobicContact CG-CG1 3.97Å; V232-L235 PolarHBondContact O-N 3.06Å; V232-C236 PolarHBondContact O-N 3.45Å; V232-C236 PolarHBondContact O-SG 2.87Å |
| 233 | P | 63.4 | Low | 60.9 | Low | 79 Ų | 79 | 86.4 Ų | 86.4 | 51% | 0.513 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.4 | -34.4 | 173.4 | 23.7 | -33.6 | 0 | 0 | 0 | 114.2 | S231 C236 R237 | S231-P233 VanDerWaalsContact C-CD 3.5Å; S231-P233 VanDerWaalsContact C-N 3.32Å; P233-C236 PolarHBondContact O-N 2.95Å; P233-R237 PolarHBondContact O-N 3.34Å |
| 234 | E | 69 | Low | 63.6 | Low | 85 Ų | 85 | 81.1 Ų | 81.1 | 40% | 0.397 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 173.5 | -71.3 | 164.7 | 128.1 | 0 | 0 | 111.4 | L230 S231 C236 R237 Y238 | L230-E234 HydrophobicContact CD2-CB 4.43Å; S231-E234 VanDerWaalsContact CB-OE2 3.25Å; S231-E234 WeakPolarHBondContact CB-OE2 3.28Å; S231-E234 PolarHBondContact N-OE2 3.32Å; S231-E234 WeakPolarHBondContact O-CB 3.29Å; S231-E234 PolarHBondContact O-N 2.98Å; S231-E234 VanDerWaalsContact OG-CD 3.23Å; S231-E234 VanDerWaalsContact OG-CG 3.26Å; S231-E234 WeakPolarHBondContact OG-CG 3.46Å; S231-E234 PolarHBondContact OG-N 2.85Å; S231-E234 PolarHBondContact OG-OE2 2.87Å; E234-C236 VanDerWaalsContact C-N 3.3Å; E234-C236 PolarHBondContact O-N 3.49Å; E234-R237 WeakPolarHBondContact O-CA 3.43Å; E234-R237 WeakPolarHBondContact O-CB 3.41Å; E234-R237 PolarHBondContact O-N 2.86Å; E234-Y238 HydrophobicContact CB-CE2 4.37Å; E234-Y238 WeakPolarHBondContact O-CD2 3.42Å; E234-Y238 PolarHBondContact O-N 3.44Å |
| 235 | L | 70.1 | Confident | 65.7 | Low | 66 Ų | 66 | 81.1 Ų | 81.1 | 35% | 0.346 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 174 | -177.2 | 63.6 | 0 | 0 | 0 | 111.3 | S231 V232 R237 L239 | S231-L235 PolarHBondContact O-N 2.74Å; V232-L235 PolarHBondContact O-N 3.06Å; L235-R237 VanDerWaalsContact C-N 3.31Å; L235-R237 PolarHBondContact O-N 3.36Å; L235-L239 WeakPolarHBondContact O-CB 3.2Å; L235-L239 PolarHBondContact O-N 2.8Å |
| 236 | C | 67.4 | Low | 67.8 | Low | 3 Ų | 3 | 81.7 Ų | 81.7 | 2% | 0.02 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.4 | -33.9 | 173.3 | -67.3 | 0 | 0 | 0 | 0 | 112.5 | W135 V232 P233 E234 A240 | W135-C236 HydrophobicContact CB-CB 4.42Å; V232-C236 PolarHBondContact O-N 3.45Å; V232-C236 PolarHBondContact O-SG 2.87Å; P233-C236 PolarHBondContact O-N 2.95Å; E234-C236 VanDerWaalsContact C-N 3.3Å; E234-C236 PolarHBondContact O-N 3.49Å; C236-A240 VanDerWaalsContact O-CB 3.27Å; C236-A240 WeakPolarHBondContact O-CB 3.38Å; C236-A240 PolarHBondContact O-N 3.33Å |
| 237 | R | 73.3 | Confident | 70.2 | Confident | 104 Ų | 104 | 73.2 Ų | 73.2 | 39% | 0.392 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.6 | -51.5 | 175.5 | -162.3 | -168.4 | 67.5 | 65.3 | 5.3 | 111.2 | P233 E234 L235 L239 A240 E241 | P233-R237 PolarHBondContact O-N 3.34Å; E234-R237 WeakPolarHBondContact O-CA 3.43Å; E234-R237 WeakPolarHBondContact O-CB 3.41Å; E234-R237 PolarHBondContact O-N 2.86Å; L235-R237 VanDerWaalsContact C-N 3.31Å; L235-R237 PolarHBondContact O-N 3.36Å; R237-L239 VanDerWaalsContact C-N 3.31Å; R237-L239 PolarHBondContact O-N 2.81Å; R237-A240 PolarHBondContact O-N 2.76Å; R237-E241 IonicContact CZ-OE2 3.49Å; R237-E241 IonicContact NH1-OE2 2.66Å; R237-E241 PolarHBondContact NH1-OE2 2.97Å; R237-E241 IonicContact NH2-OE2 2.87Å; R237-E241 VanDerWaalsContact O-CB 3.32Å; R237-E241 WeakPolarHBondContact O-CB 3.44Å; R237-E241 PolarHBondContact O-N 3.14Å |
| 238 | Y | 75.5 | Confident | 72.1 | Confident | 117 Ų | 117 | 72.1 Ų | 72.1 | 46% | 0.459 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.8 | -35.4 | 176.5 | -69.7 | -64.7 | 0 | 0 | 0 | 112.6 | L230 E234 S242 | L230-Y238 HydrophobicContact CD2-CD2 4.46Å; L230-Y238 HydrophobicContact CD2-CE2 3.94Å; E234-Y238 HydrophobicContact CB-CE2 4.37Å; E234-Y238 WeakPolarHBondContact O-CD2 3.42Å; E234-Y238 PolarHBondContact O-N 3.44Å; Y238-S242 WeakPolarHBondContact O-CB 3.19Å; Y238-S242 PolarHBondContact O-N 3.22Å; Y238-S242 PolarHBondContact O-OG 2.95Å |
| 239 | L | 77.4 | Confident | 73.9 | Confident | 79 Ų | 79 | 69.4 Ų | 69.4 | 41% | 0.414 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69 | -38.2 | 174.5 | -175.4 | 62.2 | 0 | 0 | 0 | 111.9 | L134 L138 L235 R237 S242 W243 | L134-L239 HydrophobicContact CD1-CD2 4.42Å; L134-L239 HydrophobicContact CD1-CG 4.29Å; L138-L239 HydrophobicContact CD2-CD2 4.27Å; L235-L239 WeakPolarHBondContact O-CB 3.2Å; L235-L239 PolarHBondContact O-N 2.8Å; R237-L239 VanDerWaalsContact C-N 3.31Å; R237-L239 PolarHBondContact O-N 2.81Å; L239-S242 WeakPolarHBondContact CA-OG 3.48Å; L239-S242 PolarHBondContact O-OG 3.44Å; L239-W243 WeakPolarHBondContact O-CB 3.2Å; L239-W243 PolarHBondContact O-N 3.48Å |
| 240 | A | 77.1 | Confident | 75.4 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.6 | -40.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | V127 L130 A131 L134 C236 R237 L244 | V127-A240 HydrophobicContact CG1-CB 4.04Å; L130-A240 HydrophobicContact CB-CB 4.44Å; L130-A240 HydrophobicContact CD2-CB 3.69Å; A131-A240 HydrophobicContact CB-CB 3.68Å; L134-A240 HydrophobicContact CD1-CB 4.14Å; C236-A240 VanDerWaalsContact O-CB 3.27Å; C236-A240 WeakPolarHBondContact O-CB 3.38Å; C236-A240 PolarHBondContact O-N 3.33Å; R237-A240 PolarHBondContact O-N 2.76Å; A240-L244 VanDerWaalsContact O-CB 3.3Å; A240-L244 WeakPolarHBondContact O-CB 3.41Å; A240-L244 PolarHBondContact O-N 3.29Å |
| 241 | E | 80.9 | Confident | 76.9 | Confident | 77 Ų | 77 | 69.9 Ų | 69.9 | 36% | 0.36 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.2 | -56.2 | 175.5 | -173.6 | 179.4 | 163.1 | 0 | 0 | 110.6 | V127 R237 W243 L244 T245 | V127-E241 HydrophobicContact CG1-CB 4.46Å; R237-E241 IonicContact CZ-OE2 3.49Å; R237-E241 IonicContact NH1-OE2 2.66Å; R237-E241 PolarHBondContact NH1-OE2 2.97Å; R237-E241 IonicContact NH2-OE2 2.87Å; R237-E241 VanDerWaalsContact O-CB 3.32Å; R237-E241 WeakPolarHBondContact O-CB 3.44Å; R237-E241 PolarHBondContact O-N 3.14Å; E241-W243 VanDerWaalsContact C-N 3.33Å; E241-W243 PolarHBondContact O-N 2.74Å; E241-L244 PolarHBondContact O-N 3.3Å; E241-L244 VanDerWaalsContact O-N 3.11Å; E241-T245 PolarHBondContact O-N 2.9Å; E241-T245 PolarHBondContact O-OG1 2.85Å; E241-T245 VanDerWaalsContact O-OG1 3.13Å |
| 242 | S | 78.6 | Confident | 78.2 | Confident | 68 Ų | 68 | 72.6 Ų | 72.6 | 48% | 0.476 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.6 | -34.9 | 177.5 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | Y238 L239 F246 | Y238-S242 WeakPolarHBondContact O-CB 3.19Å; Y238-S242 PolarHBondContact O-N 3.22Å; Y238-S242 PolarHBondContact O-OG 2.95Å; L239-S242 WeakPolarHBondContact CA-OG 3.48Å; L239-S242 PolarHBondContact O-OG 3.44Å; S242-F246 VanDerWaalsContact O-CB 3.25Å; S242-F246 WeakPolarHBondContact O-CB 3.05Å; S242-F246 PolarHBondContact O-N 3Å |
| 243 | W | 81.5 | Confident | 79.1 | Confident | 126 Ų | 126 | 75.6 Ų | 75.6 | 48% | 0.477 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 172.1 | 178.9 | -96.3 | 0 | 0 | 0 | 112.3 | L130 L239 E241 F246 Q247 | L130-W243 HydrophobicContact CD2-CB 4.23Å; L130-W243 HydrophobicContact CD2-CG 4.15Å; L239-W243 WeakPolarHBondContact O-CB 3.2Å; L239-W243 PolarHBondContact O-N 3.48Å; E241-W243 VanDerWaalsContact C-N 3.33Å; E241-W243 PolarHBondContact O-N 2.74Å; W243-F246 PolarHBondContact O-N 2.76Å; W243-Q247 VanDerWaalsContact O-CG 3.29Å; W243-Q247 WeakPolarHBondContact O-CG 3.17Å; W243-Q247 PolarHBondContact O-N 3.26Å |
| 244 | L | 86 | Confident | 80.1 | Confident | 30 Ų | 30 | 76.5 Ų | 76.5 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.5 | -43.8 | 179.9 | -169.9 | 131.9 | 0 | 0 | 0 | 111.3 | T123 A126 V127 A240 E241 F246 Q247 I248 | T123-L244 HydrophobicContact CG2-CD2 4.23Å; A126-L244 HydrophobicContact CB-CD1 3.72Å; V127-L244 HydrophobicContact CG2-CB 4.1Å; V127-L244 HydrophobicContact CG2-CD1 3.96Å; V127-L244 HydrophobicContact CG2-CD2 4.1Å; V127-L244 HydrophobicContact CG2-CG 4.27Å; A240-L244 VanDerWaalsContact O-CB 3.3Å; A240-L244 WeakPolarHBondContact O-CB 3.41Å; A240-L244 PolarHBondContact O-N 3.29Å; E241-L244 PolarHBondContact O-N 3.3Å; E241-L244 VanDerWaalsContact O-N 3.11Å; L244-F246 VanDerWaalsContact C-N 3.32Å; L244-F246 PolarHBondContact O-N 3.46Å; L244-Q247 WeakPolarHBondContact O-CB 3.29Å; L244-Q247 PolarHBondContact O-N 2.75Å; L244-Q247 VanDerWaalsContact O-N 3.12Å; L244-I248 HydrophobicContact CD2-CD1 3.72Å; L244-I248 WeakPolarHBondContact O-CG1 3.43Å; L244-I248 PolarHBondContact O-N 3.2Å |
| 245 | T | 83.6 | Confident | 80.9 | Confident | 62 Ų | 62 | 77.7 Ų | 77.7 | 38% | 0.38 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 172.2 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | E241 I248 H249 | E241-T245 PolarHBondContact O-N 2.9Å; E241-T245 PolarHBondContact O-OG1 2.85Å; E241-T245 VanDerWaalsContact O-OG1 3.13Å; T245-I248 PolarHBondContact O-N 3.44Å; T245-H249 PolarHBondContact O-CD2 3.38Å; T245-H249 PolarHBondContact O-N 3.32Å |
| 246 | F | 83.1 | Confident | 81.4 | Confident | 113 Ų | 113 | 76.2 Ų | 76.2 | 50% | 0.496 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 172.8 | 177 | -99 | 0 | 0 | 0 | 112.6 | S242 W243 L244 H249 L250 | S242-F246 VanDerWaalsContact O-CB 3.25Å; S242-F246 WeakPolarHBondContact O-CB 3.05Å; S242-F246 PolarHBondContact O-N 3Å; W243-F246 PolarHBondContact O-N 2.76Å; L244-F246 VanDerWaalsContact C-N 3.32Å; L244-F246 PolarHBondContact O-N 3.46Å; F246-H249 PolarHBondContact O-N 2.83Å; F246-L250 HydrophobicContact CE1-CD2 4.1Å; F246-L250 HydrophobicContact CZ-CD2 4.43Å; F246-L250 VanDerWaalsContact O-CB 3.23Å; F246-L250 WeakPolarHBondContact O-CB 3.44Å; F246-L250 PolarHBondContact O-N 2.95Å |
| 247 | Q | 82.3 | Confident | 82.3 | Confident | 62 Ų | 62 | 81.1 Ų | 81.1 | 29% | 0.29 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.2 | -37.9 | 175 | -72.7 | -67.6 | -24 | 0 | 0 | 112.1 | W243 L244 L250 Q251 | W243-Q247 VanDerWaalsContact O-CG 3.29Å; W243-Q247 WeakPolarHBondContact O-CG 3.17Å; W243-Q247 PolarHBondContact O-N 3.26Å; L244-Q247 WeakPolarHBondContact O-CB 3.29Å; L244-Q247 PolarHBondContact O-N 2.75Å; L244-Q247 VanDerWaalsContact O-N 3.12Å; Q247-L250 PolarHBondContact O-N 2.8Å; Q247-Q251 WeakPolarHBondContact O-CB 3.41Å; Q247-Q251 WeakPolarHBondContact O-CG 3.45Å; Q247-Q251 PolarHBondContact O-N 2.89Å |
| 248 | I | 87.7 | Confident | 82.8 | Confident | 64 Ų | 64 | 87 Ų | 87 | 33% | 0.328 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.6 | -55.2 | 172.8 | -68.2 | 167.7 | 0 | 0 | 0 | 109.6 | L244 T245 L250 Q251 E252 | L244-I248 HydrophobicContact CD2-CD1 3.72Å; L244-I248 WeakPolarHBondContact O-CG1 3.43Å; L244-I248 PolarHBondContact O-N 3.2Å; T245-I248 PolarHBondContact O-N 3.44Å; I248-L250 VanDerWaalsContact C-N 3.27Å; I248-L250 PolarHBondContact O-N 2.78Å; I248-Q251 CarbonylContact O-C 3.56Å; I248-Q251 WeakPolarHBondContact O-CA 3.3Å; I248-Q251 WeakPolarHBondContact O-CB 3.35Å; I248-Q251 PolarHBondContact O-N 2.9Å; I248-E252 HydrophobicContact CG2-CG 4.37Å; I248-E252 WeakPolarHBondContact O-CG 3.45Å; I248-E252 PolarHBondContact O-N 3.27Å |
| 249 | H | 82.4 | Confident | 83.3 | Confident | 97 Ų | 97 | 87.6 Ų | 87.6 | 45% | 0.449 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.8 | -33.5 | 178.6 | -68.1 | -36.3 | 0 | 0 | 0 | 113.6 | T245 F246 E252 L253 | T245-H249 PolarHBondContact O-CD2 3.38Å; T245-H249 PolarHBondContact O-N 3.32Å; F246-H249 PolarHBondContact O-N 2.83Å; H249-E252 WeakPolarHBondContact CA-OE2 3.14Å; H249-E252 IonicContact CE1-OE2 2.74Å; H249-E252 IonicContact CG-OE2 3.17Å; H249-E252 IonicContact ND1-OE2 2.58Å; H249-E252 PolarHBondContact ND1-OE2 3.01Å; H249-L253 WeakPolarHBondContact O-CB 3.35Å; H249-L253 WeakPolarHBondContact O-CD1 3.17Å; H249-L253 WeakPolarHBondContact O-CG 3.4Å; H249-L253 PolarHBondContact O-N 3.13Å |
| 250 | L | 84.3 | Confident | 83.5 | Confident | 62 Ų | 62 | 86.8 Ų | 86.8 | 33% | 0.325 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.4 | -37.9 | 173.8 | -174.6 | 60.8 | 0 | 0 | 0 | 111.7 | F246 Q247 I248 L253 L254 | F246-L250 HydrophobicContact CE1-CD2 4.1Å; F246-L250 HydrophobicContact CZ-CD2 4.43Å; F246-L250 VanDerWaalsContact O-CB 3.23Å; F246-L250 WeakPolarHBondContact O-CB 3.44Å; F246-L250 PolarHBondContact O-N 2.95Å; Q247-L250 PolarHBondContact O-N 2.8Å; I248-L250 VanDerWaalsContact C-N 3.27Å; I248-L250 PolarHBondContact O-N 2.78Å; L250-L253 PolarHBondContact O-N 3.5Å; L250-L254 HydrophobicContact CG-CD1 4.23Å; L250-L254 WeakPolarHBondContact O-CB 3.48Å; L250-L254 WeakPolarHBondContact O-CG 3.42Å; L250-L254 PolarHBondContact O-N 3.43Å |
| 251 | Q | 87.1 | Confident | 84 | Confident | 106 Ų | 106 | 90.7 Ų | 90.7 | 50% | 0.495 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.5 | -43.3 | 172.7 | -73.3 | 173.5 | 40.4 | 0 | 0 | 111.5 | Q247 I248 L253 L254 Q255 | Q247-Q251 WeakPolarHBondContact O-CB 3.41Å; Q247-Q251 WeakPolarHBondContact O-CG 3.45Å; Q247-Q251 PolarHBondContact O-N 2.89Å; I248-Q251 CarbonylContact O-C 3.56Å; I248-Q251 WeakPolarHBondContact O-CA 3.3Å; I248-Q251 WeakPolarHBondContact O-CB 3.35Å; I248-Q251 PolarHBondContact O-N 2.9Å; Q251-L253 PolarHBondContact O-N 2.91Å; Q251-L254 PolarHBondContact O-N 3.37Å; Q251-Q255 WeakPolarHBondContact O-CB 3.48Å; Q251-Q255 VanDerWaalsContact O-CG 3.29Å; Q251-Q255 WeakPolarHBondContact O-CG 3.42Å; Q251-Q255 PolarHBondContact O-N 3.09Å |
| 252 | E | 88.3 | Confident | 84.2 | Confident | 100 Ų | 100 | 90.5 Ų | 90.5 | 47% | 0.467 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -56.9 | -46.8 | 172 | -69.1 | 173.7 | 155.4 | 0 | 0 | 111.4 | I248 H249 L254 Q255 Y256 | I248-E252 HydrophobicContact CG2-CG 4.37Å; I248-E252 WeakPolarHBondContact O-CG 3.45Å; I248-E252 PolarHBondContact O-N 3.27Å; H249-E252 WeakPolarHBondContact CA-OE2 3.14Å; H249-E252 IonicContact CE1-OE2 2.74Å; H249-E252 IonicContact CG-OE2 3.17Å; H249-E252 IonicContact ND1-OE2 2.58Å; H249-E252 PolarHBondContact ND1-OE2 3.01Å; E252-L254 VanDerWaalsContact C-N 3.34Å; E252-L254 PolarHBondContact O-N 2.8Å; E252-Q255 PolarHBondContact O-N 3.37Å; E252-Y256 WeakPolarHBondContact O-CB 3.49Å; E252-Y256 PolarHBondContact O-N 2.68Å |
| 253 | L | 82.1 | Confident | 84.5 | Confident | 87 Ų | 87 | 92 Ų | 92 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.7 | -36.8 | 176.8 | -75.6 | 167.4 | 0 | 0 | 0 | 112.7 | H249 L250 Q251 K257 | H249-L253 WeakPolarHBondContact O-CB 3.35Å; H249-L253 WeakPolarHBondContact O-CD1 3.17Å; H249-L253 WeakPolarHBondContact O-CG 3.4Å; H249-L253 PolarHBondContact O-N 3.13Å; L250-L253 PolarHBondContact O-N 3.5Å; Q251-L253 PolarHBondContact O-N 2.91Å; L253-K257 WeakPolarHBondContact O-CB 3.46Å; L253-K257 PolarHBondContact O-N 3.31Å |
| 254 | L | 84.2 | Confident | 84.7 | Confident | 99 Ų | 99 | 88.4 Ų | 88.4 | 52% | 0.518 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -72.9 | -36.9 | 175.8 | -72.7 | 169.1 | 0 | 0 | 0 | 112.5 | L250 Q251 E252 R258 | L250-L254 HydrophobicContact CG-CD1 4.23Å; L250-L254 WeakPolarHBondContact O-CB 3.48Å; L250-L254 WeakPolarHBondContact O-CG 3.42Å; L250-L254 PolarHBondContact O-N 3.43Å; Q251-L254 PolarHBondContact O-N 3.37Å; E252-L254 VanDerWaalsContact C-N 3.34Å; E252-L254 PolarHBondContact O-N 2.8Å; L254-R258 PolarHBondContact O-N 3.44Å; L254-R258 VanDerWaalsContact O-N 3.14Å |
| 255 | Q | 86.1 | Confident | 84.6 | Confident | 109 Ų | 109 | 90.3 Ų | 90.3 | 51% | 0.509 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.1 | -45.2 | 171 | -71.9 | -174.9 | 48.3 | 0 | 0 | 110.8 | Q251 E252 K257 R258 Q259 | Q251-Q255 WeakPolarHBondContact O-CB 3.48Å; Q251-Q255 VanDerWaalsContact O-CG 3.29Å; Q251-Q255 WeakPolarHBondContact O-CG 3.42Å; Q251-Q255 PolarHBondContact O-N 3.09Å; E252-Q255 PolarHBondContact O-N 3.37Å; Q255-K257 PolarHBondContact O-N 2.79Å; Q255-R258 CarbonylContact O-C 3.54Å; Q255-R258 WeakPolarHBondContact O-CA 3.35Å; Q255-R258 WeakPolarHBondContact O-CB 3.39Å; Q255-R258 PolarHBondContact O-N 3.13Å; Q255-Q259 WeakPolarHBondContact O-CG 3.47Å; Q255-Q259 PolarHBondContact O-N 3.4Å |
| 256 | Y | 81.6 | Confident | 84.9 | Confident | 35 Ų | 35 | 92.2 Ų | 92.2 | 14% | 0.137 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 176 | 179.8 | -102.4 | 0 | 0 | 0 | 112 | E252 R258 Q259 N260 Q263 F264 R267 | E252-Y256 WeakPolarHBondContact O-CB 3.49Å; E252-Y256 PolarHBondContact O-N 2.68Å; Y256-R258 VanDerWaalsContact C-N 3.26Å; Y256-R258 PolarHBondContact O-N 3.07Å; Y256-Q259 PolarHBondContact O-N 2.93Å; Y256-N260 HydrophobicContact CD2-CB 4.48Å; Y256-N260 HydrophobicContact CE2-CB 4.06Å; Y256-N260 PolarHBondContact O-N 3.18Å; Y256-Q263 HydrophobicContact CE1-CB 4.48Å; Y256-Q263 WeakPolarHBondContact OH-CB 3.29Å; Y256-Q263 PolarHBondContact OH-OE1 3.08Å; Y256-F264 HydrophobicContact CD1-CB 4.18Å; Y256-F264 HydrophobicContact CD1-CD2 4.2Å; Y256-F264 HydrophobicContact CE1-CB 4.11Å; Y256-R267 PolarHBondContact OH-NE 3.01Å; Y256-R267 PolarHBondContact OH-NH2 3.41Å |
| 257 | K | 84.7 | Confident | 84.9 | Confident | 106 Ų | 106 | 93.6 Ų | 93.6 | 46% | 0.461 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.8 | -37.4 | 169.7 | 178 | -177.5 | 176.5 | -177 | 0 | 112.3 | L253 Q255 P261 F264 | L253-K257 WeakPolarHBondContact O-CB 3.46Å; L253-K257 PolarHBondContact O-N 3.31Å; Q255-K257 PolarHBondContact O-N 2.79Å; K257-P261 WeakPolarHBondContact O-CA 3.37Å; K257-P261 WeakPolarHBondContact O-CB 3.46Å; K257-F264 HydrophobicContact CB-CB 4.31Å; K257-F264 HydrophobicContact CB-CD1 4.03Å; K257-F264 HydrophobicContact CB-CD2 3.8Å; K257-F264 HydrophobicContact CB-CE1 4.3Å; K257-F264 HydrophobicContact CB-CE2 4.08Å; K257-F264 HydrophobicContact CB-CG 3.77Å; K257-F264 HydrophobicContact CB-CZ 4.32Å; K257-F264 HydrophobicContact CD-CD1 4.08Å; K257-F264 HydrophobicContact CD-CE1 3.74Å; K257-F264 HydrophobicContact CD-CZ 4.03Å; K257-F264 HydrophobicContact CG-CD1 3.71Å; K257-F264 HydrophobicContact CG-CD2 4.41Å; K257-F264 HydrophobicContact CG-CE1 3.92Å; K257-F264 HydrophobicContact CG-CG 3.98Å; K257-F264 HydrophobicContact CG-CZ 4.35Å |
| 258 | R | 84.4 | Confident | 85 | Confident | 229 Ų | 229 | 93.8 Ų | 93.8 | 86% | 0.864 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -77.1 | -33 | 179.9 | -167.9 | 176.9 | -175 | 174.3 | 2.1 | 113 | L254 Q255 Y256 | L254-R258 PolarHBondContact O-N 3.44Å; L254-R258 VanDerWaalsContact O-N 3.14Å; Q255-R258 CarbonylContact O-C 3.54Å; Q255-R258 WeakPolarHBondContact O-CA 3.35Å; Q255-R258 WeakPolarHBondContact O-CB 3.39Å; Q255-R258 PolarHBondContact O-N 3.13Å; Y256-R258 VanDerWaalsContact C-N 3.26Å; Y256-R258 PolarHBondContact O-N 3.07Å |
| 259 | Q | 86.8 | Confident | 84.8 | Confident | 128 Ų | 128 | 94.2 Ų | 94.2 | 60% | 0.598 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -81 | -45 | 178 | -66.9 | 170.8 | 12.3 | 0 | 0 | 112.3 | Q255 Y256 | Q255-Q259 WeakPolarHBondContact O-CG 3.47Å; Q255-Q259 PolarHBondContact O-N 3.4Å; Y256-Q259 PolarHBondContact O-N 2.93Å |
| 260 | N | 81.6 | Confident | 85.2 | Confident | 62 Ų | 62 | 92.7 Ų | 92.7 | 33% | 0.332 | 47% | 0.474 | S | S | . | . | trans | -131.2 | 63.3 | -171.5 | -72.9 | -73.1 | 0 | 0 | 0 | 111.8 | Y256 A262 Q263 F264 | Y256-N260 HydrophobicContact CD2-CB 4.48Å; Y256-N260 HydrophobicContact CE2-CB 4.06Å; Y256-N260 PolarHBondContact O-N 3.18Å; N260-A262 VanDerWaalsContact C-N 3.26Å; N260-A262 PolarHBondContact O-N 3.03Å; N260-Q263 HydrophobicContact CB-CB 4.17Å; N260-Q263 HydrophobicContact CB-CG 4.29Å; N260-Q263 PolarHBondContact O-N 3.45Å; N260-Q263 VanDerWaalsContact O-N 3.1Å; N260-F264 PolarHBondContact O-N 2.99Å | ||
| 261 | P | 86 | Confident | 85.3 | Confident | 83 Ų | 83 | 91.3 Ų | 91.3 | 54% | 0.539 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.7 | -34.7 | -173.5 | 22.5 | -34 | 0 | 0 | 0 | 113.5 | K257 C265 | K257-P261 WeakPolarHBondContact O-CA 3.37Å; K257-P261 WeakPolarHBondContact O-CB 3.46Å; P261-C265 VanDerWaalsContact O-CB 3.3Å; P261-C265 WeakPolarHBondContact O-CB 3.3Å; P261-C265 PolarHBondContact O-N 3.17Å |
| 262 | A | 85.6 | Confident | 85 | Confident | 73 Ų | 73 | 89.9 Ų | 89.9 | 60% | 0.603 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.1 | -43.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N260 C265 V266 | N260-A262 VanDerWaalsContact C-N 3.26Å; N260-A262 PolarHBondContact O-N 3.03Å; A262-C265 WeakPolarHBondContact O-CB 3.18Å; A262-C265 PolarHBondContact O-N 3.45Å; A262-V266 WeakPolarHBondContact O-CG2 3.33Å; A262-V266 PolarHBondContact O-N 2.89Å |
| 263 | Q | 85.2 | Confident | 84.9 | Confident | 99 Ų | 99 | 87.6 Ų | 87.6 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.9 | -36.8 | 178.4 | -59.2 | -175.4 | -4.4 | 0 | 0 | 111.8 | Y256 N260 C265 V266 R267 | Y256-Q263 HydrophobicContact CE1-CB 4.48Å; Y256-Q263 WeakPolarHBondContact OH-CB 3.29Å; Y256-Q263 PolarHBondContact OH-OE1 3.08Å; N260-Q263 HydrophobicContact CB-CB 4.17Å; N260-Q263 HydrophobicContact CB-CG 4.29Å; N260-Q263 PolarHBondContact O-N 3.45Å; N260-Q263 VanDerWaalsContact O-N 3.1Å; Q263-C265 VanDerWaalsContact C-N 3.34Å; Q263-V266 PolarHBondContact O-N 2.8Å; Q263-R267 WeakPolarHBondContact O-CG 3.33Å; Q263-R267 PolarHBondContact O-N 2.9Å |
| 264 | F | 86.8 | Confident | 85.1 | Confident | 51 Ų | 51 | 88.2 Ų | 88.2 | 22% | 0.224 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 170.1 | 178.3 | -92.4 | 0 | 0 | 0 | 111.1 | Y256 K257 N260 R267 V268 | Y256-F264 HydrophobicContact CD1-CB 4.18Å; Y256-F264 HydrophobicContact CD1-CD2 4.2Å; Y256-F264 HydrophobicContact CE1-CB 4.11Å; K257-F264 HydrophobicContact CB-CB 4.31Å; K257-F264 HydrophobicContact CB-CD1 4.03Å; K257-F264 HydrophobicContact CB-CD2 3.8Å; K257-F264 HydrophobicContact CB-CE1 4.3Å; K257-F264 HydrophobicContact CB-CE2 4.08Å; K257-F264 HydrophobicContact CB-CG 3.77Å; K257-F264 HydrophobicContact CB-CZ 4.32Å; K257-F264 HydrophobicContact CD-CD1 4.08Å; K257-F264 HydrophobicContact CD-CE1 3.74Å; K257-F264 HydrophobicContact CD-CZ 4.03Å; K257-F264 HydrophobicContact CG-CD1 3.71Å; K257-F264 HydrophobicContact CG-CD2 4.41Å; K257-F264 HydrophobicContact CG-CE1 3.92Å; K257-F264 HydrophobicContact CG-CG 3.98Å; K257-F264 HydrophobicContact CG-CZ 4.35Å; N260-F264 PolarHBondContact O-N 2.99Å; F264-R267 PolarHBondContact O-N 2.9Å; F264-V268 HydrophobicContact CD1-CG2 4.13Å; F264-V268 HydrophobicContact CD2-CG2 4.43Å; F264-V268 HydrophobicContact CE1-CG2 3.72Å; F264-V268 HydrophobicContact CE2-CG2 4.06Å; F264-V268 HydrophobicContact CG-CG2 4.47Å; F264-V268 HydrophobicContact CZ-CG2 3.68Å; F264-V268 WeakPolarHBondContact O-CB 3.49Å; F264-V268 WeakPolarHBondContact O-CG2 3.43Å; F264-V268 PolarHBondContact O-N 3.2Å |
| 265 | C | 83.7 | Confident | 84.9 | Confident | 69 Ų | 69 | 89.1 Ų | 89.1 | 47% | 0.466 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -56.9 | -51.7 | 174.6 | -170.1 | 0 | 0 | 0 | 0 | 111.4 | P261 A262 Q263 R267 V268 C269 | P261-C265 VanDerWaalsContact O-CB 3.3Å; P261-C265 WeakPolarHBondContact O-CB 3.3Å; P261-C265 PolarHBondContact O-N 3.17Å; A262-C265 WeakPolarHBondContact O-CB 3.18Å; A262-C265 PolarHBondContact O-N 3.45Å; Q263-C265 VanDerWaalsContact C-N 3.34Å; C265-R267 PolarHBondContact O-N 2.87Å; C265-V268 PolarHBondContact O-N 3.21Å; C265-C269 VanDerWaalsContact O-CB 3.3Å; C265-C269 WeakPolarHBondContact O-CB 3.43Å; C265-C269 PolarHBondContact O-N 2.89Å; C265-C269 PolarHBondContact O-SG 3.4Å |
| 266 | V | 90.2 | Very high | 84.6 | Confident | 102 Ų | 102 | 87 Ų | 87 | 62% | 0.618 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58 | -45 | 177.9 | 171.6 | 0 | 0 | 0 | 0 | 112.1 | A262 Q263 C269 S270 | A262-V266 WeakPolarHBondContact O-CG2 3.33Å; A262-V266 PolarHBondContact O-N 2.89Å; Q263-V266 PolarHBondContact O-N 2.8Å; V266-C269 PolarHBondContact O-N 2.8Å; V266-S270 WeakPolarHBondContact O-CB 3.42Å; V266-S270 PolarHBondContact O-N 3.42Å; V266-S270 PolarHBondContact O-OG 2.95Å |
| 267 | R | 82.1 | Confident | 84.9 | Confident | 143 Ų | 143 | 89.2 Ų | 89.2 | 54% | 0.54 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 177.8 | -73.1 | 179.2 | -176.5 | -176 | 0.8 | 112.1 | Y256 Q263 F264 C265 S270 G271 | Y256-R267 PolarHBondContact OH-NE 3.01Å; Y256-R267 PolarHBondContact OH-NH2 3.41Å; Q263-R267 WeakPolarHBondContact O-CG 3.33Å; Q263-R267 PolarHBondContact O-N 2.9Å; F264-R267 PolarHBondContact O-N 2.9Å; C265-R267 PolarHBondContact O-N 2.87Å; R267-S270 WeakPolarHBondContact CA-OG 3.38Å; R267-S270 PolarHBondContact O-N 3.49Å; R267-S270 PolarHBondContact O-OG 3.32Å; R267-G271 PolarHBondContact O-N 2.83Å |
| 268 | V | 85.1 | Confident | 84.7 | Confident | 66 Ų | 66 | 87.8 Ų | 87.8 | 40% | 0.4 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 177.8 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | F264 C265 S270 G271 C272 | F264-V268 HydrophobicContact CD1-CG2 4.13Å; F264-V268 HydrophobicContact CD2-CG2 4.43Å; F264-V268 HydrophobicContact CE1-CG2 3.72Å; F264-V268 HydrophobicContact CE2-CG2 4.06Å; F264-V268 HydrophobicContact CG-CG2 4.47Å; F264-V268 HydrophobicContact CZ-CG2 3.68Å; F264-V268 WeakPolarHBondContact O-CB 3.49Å; F264-V268 WeakPolarHBondContact O-CG2 3.43Å; F264-V268 PolarHBondContact O-N 3.2Å; C265-V268 PolarHBondContact O-N 3.21Å; V268-S270 VanDerWaalsContact C-N 3.34Å; V268-S270 PolarHBondContact O-N 2.84Å; V268-G271 PolarHBondContact O-N 3.28Å; V268-G271 VanDerWaalsContact O-N 3.16Å; V268-C272 WeakPolarHBondContact O-CB 3.48Å; V268-C272 PolarHBondContact O-N 3.25Å; V268-C272 PolarHBondContact O-SG 3.48Å; V268-C272 VanDerWaalsContact O-SG 3.34Å |
| 269 | C | 82.7 | Confident | 84.5 | Confident | 73 Ų | 73 | 78.8 Ų | 78.8 | 49% | 0.493 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 175.1 | -71.9 | 0 | 0 | 0 | 0 | 112.3 | C265 V266 C272 A273 | C265-C269 VanDerWaalsContact O-CB 3.3Å; C265-C269 WeakPolarHBondContact O-CB 3.43Å; C265-C269 PolarHBondContact O-N 2.89Å; C265-C269 PolarHBondContact O-SG 3.4Å; V266-C269 PolarHBondContact O-N 2.8Å; C269-C272 PolarHBondContact O-N 3.09Å; C269-A273 VanDerWaalsContact O-CB 3.25Å; C269-A273 WeakPolarHBondContact O-CB 3.34Å; C269-A273 PolarHBondContact O-N 2.9Å |
| 270 | S | 91.7 | Very high | 84.3 | Confident | 65 Ų | 65 | 80.6 Ų | 80.6 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.6 | -38.7 | 173.9 | 61 | 0 | 0 | 0 | 0 | 112.5 | V266 R267 V268 A273 V274 | V266-S270 WeakPolarHBondContact O-CB 3.42Å; V266-S270 PolarHBondContact O-N 3.42Å; V266-S270 PolarHBondContact O-OG 2.95Å; R267-S270 WeakPolarHBondContact CA-OG 3.38Å; R267-S270 PolarHBondContact O-N 3.49Å; R267-S270 PolarHBondContact O-OG 3.32Å; V268-S270 VanDerWaalsContact C-N 3.34Å; V268-S270 PolarHBondContact O-N 2.84Å; S270-A273 PolarHBondContact O-N 3.07Å; S270-V274 WeakPolarHBondContact O-CG2 3.2Å; S270-V274 PolarHBondContact O-N 3.44Å |
| 271 | G | 84.9 | Confident | 84.4 | Confident | 32 Ų | 32 | 86.5 Ų | 86.5 | 33% | 0.33 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.6 | -47.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R267 V268 A273 V274 L275 | R267-G271 PolarHBondContact O-N 2.83Å; V268-G271 PolarHBondContact O-N 3.28Å; V268-G271 VanDerWaalsContact O-N 3.16Å; G271-A273 VanDerWaalsContact C-N 3.34Å; G271-A273 PolarHBondContact O-N 3.42Å; G271-V274 PolarHBondContact O-N 2.89Å; G271-L275 WeakPolarHBondContact O-CB 3.26Å; G271-L275 VanDerWaalsContact O-CG 3.27Å; G271-L275 WeakPolarHBondContact O-CG 3.24Å; G271-L275 PolarHBondContact O-N 3.49Å |
| 272 | C | 80.7 | Confident | 84.4 | Confident | 76 Ų | 76 | 84.4 Ų | 84.4 | 51% | 0.514 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -37.7 | 174.6 | -67.8 | 0 | 0 | 0 | 0 | 112.6 | V268 C269 L275 A276 | V268-C272 WeakPolarHBondContact O-CB 3.48Å; V268-C272 PolarHBondContact O-N 3.25Å; V268-C272 PolarHBondContact O-SG 3.48Å; V268-C272 VanDerWaalsContact O-SG 3.34Å; C269-C272 PolarHBondContact O-N 3.09Å; C272-L275 PolarHBondContact O-N 2.96Å; C272-A276 VanDerWaalsContact O-CB 3.23Å; C272-A276 WeakPolarHBondContact O-CB 3.49Å; C272-A276 PolarHBondContact O-N 3.1Å |
| 273 | A | 86.6 | Confident | 84.3 | Confident | 53 Ų | 53 | 85 Ų | 85 | 44% | 0.438 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.7 | -45.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C269 S270 G271 L275 A276 V277 | C269-A273 VanDerWaalsContact O-CB 3.25Å; C269-A273 WeakPolarHBondContact O-CB 3.34Å; C269-A273 PolarHBondContact O-N 2.9Å; S270-A273 PolarHBondContact O-N 3.07Å; G271-A273 VanDerWaalsContact C-N 3.34Å; G271-A273 PolarHBondContact O-N 3.42Å; A273-L275 VanDerWaalsContact C-N 3.34Å; A273-L275 PolarHBondContact O-N 3.34Å; A273-A276 PolarHBondContact O-N 2.99Å; A273-V277 WeakPolarHBondContact O-CB 3.44Å; A273-V277 VanDerWaalsContact O-CG2 3.28Å; A273-V277 WeakPolarHBondContact O-CG2 3.3Å; A273-V277 PolarHBondContact O-N 3.08Å |
| 274 | V | 87.6 | Confident | 83.9 | Confident | 100 Ų | 100 | 82.8 Ų | 82.8 | 61% | 0.606 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.9 | -41.8 | 174.9 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | S270 G271 V277 L278 | S270-V274 WeakPolarHBondContact O-CG2 3.2Å; S270-V274 PolarHBondContact O-N 3.44Å; G271-V274 PolarHBondContact O-N 2.89Å; V274-V277 PolarHBondContact O-N 3.47Å; V274-L278 VanDerWaalsContact O-CB 3.27Å; V274-L278 WeakPolarHBondContact O-CB 3.35Å; V274-L278 PolarHBondContact O-N 2.97Å |
| 275 | L | 78.6 | Confident | 83.6 | Confident | 117 Ų | 117 | 83.5 Ų | 83.5 | 61% | 0.613 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.1 | -37.1 | 175.9 | -71.8 | 170.4 | 0 | 0 | 0 | 112.8 | G271 C272 A273 G279 | G271-L275 WeakPolarHBondContact O-CB 3.26Å; G271-L275 VanDerWaalsContact O-CG 3.27Å; G271-L275 WeakPolarHBondContact O-CG 3.24Å; G271-L275 PolarHBondContact O-N 3.49Å; C272-L275 PolarHBondContact O-N 2.96Å; A273-L275 VanDerWaalsContact C-N 3.34Å; A273-L275 PolarHBondContact O-N 3.34Å; L275-G279 PolarHBondContact O-N 3.26Å |
| 276 | A | 79.8 | Confident | 83.4 | Confident | 66 Ų | 66 | 84.8 Ų | 84.8 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.6 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C272 A273 G279 H280 | C272-A276 VanDerWaalsContact O-CB 3.23Å; C272-A276 WeakPolarHBondContact O-CB 3.49Å; C272-A276 PolarHBondContact O-N 3.1Å; A273-A276 PolarHBondContact O-N 2.99Å; A276-G279 PolarHBondContact O-N 2.89Å; A276-H280 WeakPolarHBondContact O-CB 3.24Å; A276-H280 PolarHBondContact O-N 2.94Å |
| 277 | V | 88.1 | Confident | 83 | Confident | 81 Ų | 81 | 82.4 Ų | 82.4 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 173.5 | 168.1 | 0 | 0 | 0 | 0 | 110.7 | A273 V274 G279 H280 Y281 | A273-V277 WeakPolarHBondContact O-CB 3.44Å; A273-V277 VanDerWaalsContact O-CG2 3.28Å; A273-V277 WeakPolarHBondContact O-CG2 3.3Å; A273-V277 PolarHBondContact O-N 3.08Å; V274-V277 PolarHBondContact O-N 3.47Å; V277-G279 PolarHBondContact O-N 3.37Å; V277-H280 WeakPolarHBondContact O-CB 3.47Å; V277-H280 PolarHBondContact O-N 3.48Å; V277-H280 VanDerWaalsContact O-N 3.11Å; V277-Y281 HydrophobicContact CG1-CD2 3.74Å; V277-Y281 HydrophobicContact CG1-CE2 3.37Å; V277-Y281 VanDerWaalsContact O-CD2 3.26Å; V277-Y281 WeakPolarHBondContact O-CD2 3.4Å; V277-Y281 PolarHBondContact O-N 3.18Å |
| 278 | L | 81.9 | Confident | 83.2 | Confident | 76 Ų | 76 | 78 Ų | 78 | 40% | 0.398 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 175.4 | -175.8 | 62.9 | 0 | 0 | 0 | 111.9 | V274 H280 Y281 V282 I287 | V274-L278 VanDerWaalsContact O-CB 3.27Å; V274-L278 WeakPolarHBondContact O-CB 3.35Å; V274-L278 PolarHBondContact O-N 2.97Å; L278-H280 PolarHBondContact O-N 3.05Å; L278-Y281 PolarHBondContact O-N 3.16Å; L278-V282 HydrophobicContact CD1-CG2 4.04Å; L278-V282 WeakPolarHBondContact O-CB 3.34Å; L278-V282 PolarHBondContact O-N 2.94Å; L278-I287 HydrophobicContact CG-CD1 4.14Å |
| 279 | G | 78.9 | Confident | 83.2 | Confident | 39 Ų | 39 | 77.3 Ų | 77.3 | 40% | 0.402 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.6 | -16.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115 | L275 A276 V277 V282 | L275-G279 PolarHBondContact O-N 3.26Å; A276-G279 PolarHBondContact O-N 2.89Å; V277-G279 PolarHBondContact O-N 3.37Å; G279-V282 CarbonylContact C-O 3.6Å |
| 280 | H | 83.9 | Confident | 83.2 | Confident | 167 Ų | 167 | 78.4 Ų | 78.4 | 77% | 0.773 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -87.5 | -31.5 | 171.4 | -166.4 | -49.4 | 0 | 0 | 0 | 111.9 | A276 V277 L278 | A276-H280 WeakPolarHBondContact O-CB 3.24Å; A276-H280 PolarHBondContact O-N 2.94Å; V277-H280 WeakPolarHBondContact O-CB 3.47Å; V277-H280 PolarHBondContact O-N 3.48Å; V277-H280 VanDerWaalsContact O-N 3.11Å; L278-H280 PolarHBondContact O-N 3.05Å |
| 281 | Y | 83.3 | Confident | 82.8 | Confident | 186 Ų | 186 | 78.9 Ų | 78.9 | 73% | 0.729 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -80.8 | -32.9 | 173.4 | -70.9 | -54.1 | 0 | 0 | 0 | 113.4 | V277 L278 | V277-Y281 HydrophobicContact CG1-CD2 3.74Å; V277-Y281 HydrophobicContact CG1-CE2 3.37Å; V277-Y281 VanDerWaalsContact O-CD2 3.26Å; V277-Y281 WeakPolarHBondContact O-CD2 3.4Å; V277-Y281 PolarHBondContact O-N 3.18Å; L278-Y281 PolarHBondContact O-N 3.16Å |
| 282 | V | 85.1 | Confident | 82.8 | Confident | 38 Ų | 38 | 79.2 Ų | 79.2 | 23% | 0.23 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -125.8 | 118 | -172.6 | -175 | 0 | 0 | 0 | 0 | 108.7 | L278 G279 G284 M286 I287 | L278-V282 HydrophobicContact CD1-CG2 4.04Å; L278-V282 WeakPolarHBondContact O-CB 3.34Å; L278-V282 PolarHBondContact O-N 2.94Å; G279-V282 CarbonylContact C-O 3.6Å; V282-G284 PolarHBondContact O-N 3.02Å; V282-M286 HydrophobicContact CG1-CB 3.56Å; V282-I287 HydrophobicContact CB-CD1 4.25Å; V282-I287 HydrophobicContact CB-CG1 3.92Å; V282-I287 HydrophobicContact CG1-CD1 4.47Å; V282-I287 HydrophobicContact CG1-CG1 3.61Å |
| 283 | P | 82.8 | Confident | 82.8 | Confident | 87 Ų | 87 | 78.2 Ų | 78.2 | 57% | 0.565 | 45% | 0.447 | S | S | * | . | trans | -52.6 | 137.7 | 175.5 | -26.7 | 34.7 | 0 | 0 | 0 | 110.8 | I285 M286 I287 | P283-I285 CarbonylContact O-C 3.34Å; P283-I285 PolarHBondContact O-N 2.75Å; P283-M286 WeakPolarHBondContact O-CA 3.37Å; P283-M286 WeakPolarHBondContact O-CB 3.08Å; P283-M286 PolarHBondContact O-N 3.49Å; P283-I287 PolarHBondContact O-N 3.46Å | ||
| 284 | G | 78 | Confident | 82.7 | Confident | 51 Ų | 51 | 78.6 Ų | 78.6 | 53% | 0.526 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -55.4 | -25.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V282 I287 S288 | V282-G284 PolarHBondContact O-N 3.02Å; G284-I287 PolarHBondContact O-N 3.43Å; G284-S288 PolarHBondContact O-N 3.25Å; G284-S288 PolarHBondContact O-OG 3.1Å |
| 285 | I | 80.4 | Confident | 82.5 | Confident | 67 Ų | 67 | 78.9 Ų | 78.9 | 34% | 0.344 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 169.6 | -59.3 | -51.8 | 0 | 0 | 0 | 112.2 | F171 S175 P283 I287 S288 Y289 | F171-I285 HydrophobicContact CE1-CG2 3.98Å; F171-I285 HydrophobicContact CZ-CG2 4.04Å; F171-I285 WeakPolarHBondContact CZ-O 3.24Å; S175-I285 WeakPolarHBondContact OG-CD1 3.41Å; S175-I285 WeakPolarHBondContact OG-CG1 3.43Å; S175-I285 WeakPolarHBondContact OG-CG2 3.3Å; P283-I285 CarbonylContact O-C 3.34Å; P283-I285 PolarHBondContact O-N 2.75Å; I285-I287 VanDerWaalsContact C-N 3.33Å; I285-I287 PolarHBondContact O-N 2.82Å; I285-S288 PolarHBondContact O-N 2.81Å; I285-S288 PolarHBondContact O-OG 3.42Å; I285-S288 VanDerWaalsContact O-OG 3.13Å; I285-Y289 WeakPolarHBondContact O-CB 3.3Å; I285-Y289 PolarHBondContact O-N 3.18Å |
| 286 | M | 80.1 | Confident | 82.5 | Confident | 95 Ų | 95 | 74.4 Ų | 74.4 | 47% | 0.468 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.2 | -34.1 | 176.8 | -72.4 | -147.5 | 73.8 | 0 | 0 | 111.8 | V282 P283 Y289 I290 | V282-M286 HydrophobicContact CG1-CB 3.56Å; P283-M286 WeakPolarHBondContact O-CA 3.37Å; P283-M286 WeakPolarHBondContact O-CB 3.08Å; P283-M286 PolarHBondContact O-N 3.49Å; M286-Y289 PolarHBondContact O-N 2.83Å; M286-I290 WeakPolarHBondContact O-CB 3.33Å; M286-I290 WeakPolarHBondContact O-CD1 3.46Å; M286-I290 WeakPolarHBondContact O-CG1 3.49Å; M286-I290 PolarHBondContact O-N 3.03Å |
| 287 | I | 82 | Confident | 82.4 | Confident | 53 Ų | 53 | 75.6 Ų | 75.6 | 27% | 0.272 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.5 | -48.8 | 173.8 | -54.1 | -177.9 | 0 | 0 | 0 | 110.5 | L278 V282 P283 G284 I285 Y289 I290 V291 | L278-I287 HydrophobicContact CG-CD1 4.14Å; V282-I287 HydrophobicContact CB-CD1 4.25Å; V282-I287 HydrophobicContact CB-CG1 3.92Å; V282-I287 HydrophobicContact CG1-CD1 4.47Å; V282-I287 HydrophobicContact CG1-CG1 3.61Å; P283-I287 PolarHBondContact O-N 3.46Å; G284-I287 PolarHBondContact O-N 3.43Å; I285-I287 VanDerWaalsContact C-N 3.33Å; I285-I287 PolarHBondContact O-N 2.82Å; I287-Y289 VanDerWaalsContact C-N 3.3Å; I287-Y289 PolarHBondContact O-N 2.73Å; I287-I290 PolarHBondContact O-N 2.82Å; I287-V291 WeakPolarHBondContact O-CG2 3.27Å; I287-V291 PolarHBondContact O-N 2.94Å |
| 288 | S | 84.4 | Confident | 81.9 | Confident | 49 Ų | 49 | 80.9 Ų | 80.9 | 34% | 0.343 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.6 | -28.4 | 178.5 | 60.3 | 0 | 0 | 0 | 0 | 113.1 | F171 G284 I285 L292 | F171-S288 WeakPolarHBondContact CE2-OG 3.48Å; F171-S288 WeakPolarHBondContact CZ-OG 3.47Å; G284-S288 PolarHBondContact O-N 3.25Å; G284-S288 PolarHBondContact O-OG 3.1Å; I285-S288 PolarHBondContact O-N 2.81Å; I285-S288 PolarHBondContact O-OG 3.42Å; I285-S288 VanDerWaalsContact O-OG 3.13Å; S288-L292 WeakPolarHBondContact O-CB 3.39Å; S288-L292 PolarHBondContact O-N 3.05Å |
| 289 | Y | 85.3 | Confident | 81.5 | Confident | 52 Ų | 52 | 79 Ų | 79 | 20% | 0.204 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66.9 | -45 | 170.4 | -174.1 | -116.6 | 0 | 0 | 0 | 112.2 | N168 F171 W172 I285 M286 I287 V291 L292 L293 | N168-Y289 VanDerWaalsContact OD1-CE2 3.27Å; N168-Y289 WeakPolarHBondContact OD1-CE2 3.35Å; N168-Y289 PolarHBondContact OD1-OH 3.08Å; F171-Y289 AromaticContact CD1-CD2 3.66Å; F171-Y289 HydrophobicContact CD1-CD2 3.66Å; F171-Y289 HydrophobicContact CD1-CE2 4.39Å; F171-Y289 AromaticContact CE1-CD2 3.62Å; F171-Y289 HydrophobicContact CE1-CD2 3.62Å; F171-Y289 HydrophobicContact CE1-CG 4.04Å; F171-Y289 HydrophobicContact CG-CD2 4.4Å; F171-Y289 HydrophobicContact CZ-CD2 4.31Å; F171-Y289 HydrophobicContact CZ-CG 4.5Å; W172-Y289 HydrophobicContact CZ2-CE2 4.47Å; W172-Y289 AromaticContact NE1-CE2 3.86Å; I285-Y289 WeakPolarHBondContact O-CB 3.3Å; I285-Y289 PolarHBondContact O-N 3.18Å; M286-Y289 PolarHBondContact O-N 2.83Å; I287-Y289 VanDerWaalsContact C-N 3.3Å; I287-Y289 PolarHBondContact O-N 2.73Å; Y289-V291 VanDerWaalsContact C-N 3.29Å; Y289-V291 PolarHBondContact O-N 3.37Å; Y289-L292 PolarHBondContact O-N 2.92Å; Y289-L293 HydrophobicContact CD1-CD1 3.9Å; Y289-L293 HydrophobicContact CD1-CG 4.45Å; Y289-L293 HydrophobicContact CE1-CD1 3.46Å; Y289-L293 VanDerWaalsContact CE1-CD1 3.46Å; Y289-L293 HydrophobicContact CE1-CG 4.16Å; Y289-L293 HydrophobicContact CE2-CD1 4.5Å; Y289-L293 HydrophobicContact CE2-CG 4.35Å; Y289-L293 WeakPolarHBondContact O-CB 3.38Å; Y289-L293 WeakPolarHBondContact O-CG 3.28Å; Y289-L293 PolarHBondContact O-N 3.31Å |
| 290 | I | 83.8 | Confident | 80.9 | Confident | 96 Ų | 96 | 78.4 Ų | 78.4 | 49% | 0.492 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 175.4 | -70.1 | 161.9 | 0 | 0 | 0 | 110.8 | M286 I287 S294 | M286-I290 WeakPolarHBondContact O-CB 3.33Å; M286-I290 WeakPolarHBondContact O-CD1 3.46Å; M286-I290 WeakPolarHBondContact O-CG1 3.49Å; M286-I290 PolarHBondContact O-N 3.03Å; I287-I290 PolarHBondContact O-N 2.82Å; I290-S294 WeakPolarHBondContact O-CB 3.14Å; I290-S294 PolarHBondContact O-N 3.34Å; I290-S294 PolarHBondContact O-OG 3.35Å |
| 291 | V | 83.6 | Confident | 80.2 | Confident | 75 Ų | 75 | 72.4 Ų | 72.4 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.4 | -40.1 | 174 | 172.7 | 0 | 0 | 0 | 0 | 112.1 | I287 Y289 S294 I295 | I287-V291 WeakPolarHBondContact O-CG2 3.27Å; I287-V291 PolarHBondContact O-N 2.94Å; Y289-V291 VanDerWaalsContact C-N 3.29Å; Y289-V291 PolarHBondContact O-N 3.37Å; V291-S294 PolarHBondContact O-N 3.18Å; V291-S294 PolarHBondContact O-OG 3.34Å; V291-I295 HydrophobicContact CG1-CD1 3.91Å; V291-I295 VanDerWaalsContact O-CG1 3.3Å; V291-I295 WeakPolarHBondContact O-CG1 3.26Å; V291-I295 PolarHBondContact O-N 2.94Å |
| 292 | L | 84.1 | Confident | 79.5 | Confident | 40 Ų | 40 | 68 Ų | 68 | 21% | 0.209 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 174.2 | 178.4 | 62.6 | 0 | 0 | 0 | 111.2 | F171 S288 Y289 I295 L296 | F171-L292 HydrophobicContact CB-CD2 3.55Å; F171-L292 HydrophobicContact CD2-CD2 3.69Å; F171-L292 HydrophobicContact CG-CD2 3.7Å; S288-L292 WeakPolarHBondContact O-CB 3.39Å; S288-L292 PolarHBondContact O-N 3.05Å; Y289-L292 PolarHBondContact O-N 2.92Å; L292-I295 PolarHBondContact O-N 2.77Å; L292-L296 HydrophobicContact CD1-CD1 4.16Å; L292-L296 HydrophobicContact CD1-CG 4.47Å; L292-L296 HydrophobicContact CG-CD1 4.09Å; L292-L296 VanDerWaalsContact O-CG 3.32Å; L292-L296 WeakPolarHBondContact O-CG 3.46Å; L292-L296 PolarHBondContact O-N 2.97Å; L292-L296 VanDerWaalsContact O-N 3.08Å |
| 293 | L | 81.3 | Confident | 78.5 | Confident | 54 Ų | 54 | 68.7 Ų | 68.7 | 28% | 0.283 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 175.2 | -73.7 | 180 | 0 | 0 | 0 | 111.9 | Y289 L296 L297 | Y289-L293 HydrophobicContact CD1-CD1 3.9Å; Y289-L293 HydrophobicContact CD1-CG 4.45Å; Y289-L293 HydrophobicContact CE1-CD1 3.46Å; Y289-L293 VanDerWaalsContact CE1-CD1 3.46Å; Y289-L293 HydrophobicContact CE1-CG 4.16Å; Y289-L293 HydrophobicContact CE2-CD1 4.5Å; Y289-L293 HydrophobicContact CE2-CG 4.35Å; Y289-L293 WeakPolarHBondContact O-CB 3.38Å; Y289-L293 WeakPolarHBondContact O-CG 3.28Å; Y289-L293 PolarHBondContact O-N 3.31Å; L293-L296 PolarHBondContact O-N 3.22Å; L293-L297 WeakPolarHBondContact O-CB 3.41Å; L293-L297 PolarHBondContact O-N 3.33Å |
| 294 | S | 84.5 | Confident | 77.6 | Confident | 61 Ų | 61 | 68.2 Ų | 68.2 | 43% | 0.427 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 178.8 | 73.1 | 0 | 0 | 0 | 0 | 112 | I290 V291 L296 L297 W298 | I290-S294 WeakPolarHBondContact O-CB 3.14Å; I290-S294 PolarHBondContact O-N 3.34Å; I290-S294 PolarHBondContact O-OG 3.35Å; V291-S294 PolarHBondContact O-N 3.18Å; V291-S294 PolarHBondContact O-OG 3.34Å; S294-L296 VanDerWaalsContact C-N 3.31Å; S294-L296 PolarHBondContact O-N 2.81Å; S294-L297 PolarHBondContact O-N 3.38Å; S294-W298 WeakPolarHBondContact O-CB 3.4Å; S294-W298 PolarHBondContact O-N 3.28Å |
| 295 | I | 82.8 | Confident | 77.1 | Confident | 106 Ų | 106 | 70.9 Ų | 70.9 | 54% | 0.544 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.4 | -35 | 174.2 | -67.4 | 165.4 | 0 | 0 | 0 | 111.6 | V291 L292 P299 | V291-I295 HydrophobicContact CG1-CD1 3.91Å; V291-I295 VanDerWaalsContact O-CG1 3.3Å; V291-I295 WeakPolarHBondContact O-CG1 3.26Å; V291-I295 PolarHBondContact O-N 2.94Å; L292-I295 PolarHBondContact O-N 2.77Å; I295-P299 WeakPolarHBondContact O-CD 3.3Å |
| 296 | L | 78.7 | Confident | 76.3 | Confident | 24 Ų | 24 | 70.1 Ų | 70.1 | 13% | 0.126 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -78.7 | -35.5 | 177.9 | -69.8 | 170.9 | 0 | 0 | 0 | 113.5 | L152 L167 L292 L293 S294 | L152-L296 HydrophobicContact CD1-CD2 4.36Å; L167-L296 HydrophobicContact CD1-CD2 3.99Å; L292-L296 HydrophobicContact CD1-CD1 4.16Å; L292-L296 HydrophobicContact CD1-CG 4.47Å; L292-L296 HydrophobicContact CG-CD1 4.09Å; L292-L296 VanDerWaalsContact O-CG 3.32Å; L292-L296 WeakPolarHBondContact O-CG 3.46Å; L292-L296 PolarHBondContact O-N 2.97Å; L292-L296 VanDerWaalsContact O-N 3.08Å; L293-L296 PolarHBondContact O-N 3.22Å; S294-L296 VanDerWaalsContact C-N 3.31Å; S294-L296 PolarHBondContact O-N 2.81Å |
| 297 | L | 76.7 | Confident | 75.5 | Confident | 90 Ų | 90 | 70.5 Ų | 70.5 | 47% | 0.471 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -86 | -29.9 | 179.6 | -99.2 | 64.8 | 0 | 0 | 0 | 113.4 | L293 S294 L300 V301 | L293-L297 WeakPolarHBondContact O-CB 3.41Å; L293-L297 PolarHBondContact O-N 3.33Å; S294-L297 PolarHBondContact O-N 3.38Å; L297-L300 WeakPolarHBondContact O-CB 3.32Å; L297-L300 PolarHBondContact O-N 2.84Å; L297-L300 VanDerWaalsContact O-N 3.09Å; L297-V301 HydrophobicContact CB-CG2 4.46Å; L297-V301 WeakPolarHBondContact O-CB 3.41Å; L297-V301 VanDerWaalsContact O-CG2 3.3Å; L297-V301 WeakPolarHBondContact O-CG2 3.43Å; L297-V301 PolarHBondContact O-N 3.44Å |
| 298 | W | 78.1 | Confident | 74.7 | Confident | 192 Ų | 192 | 73.7 Ų | 73.7 | 73% | 0.727 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -56 | -48 | -174.9 | 176.9 | -85 | 0 | 0 | 0 | 113.3 | S294 L300 V301 V302 | S294-W298 WeakPolarHBondContact O-CB 3.4Å; S294-W298 PolarHBondContact O-N 3.28Å; W298-L300 VanDerWaalsContact C-N 3.33Å; W298-L300 PolarHBondContact O-N 3.41Å; W298-V301 PolarHBondContact O-N 2.95Å; W298-V302 WeakPolarHBondContact O-CG2 3.33Å; W298-V302 PolarHBondContact O-N 2.83Å; W298-V302 VanDerWaalsContact O-N 3.09Å |
| 299 | P | 72.9 | Confident | 73.9 | Confident | 36 Ų | 36 | 78.6 Ų | 78.6 | 23% | 0.234 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 175.2 | -21.3 | 34.5 | 0 | 0 | 0 | 112.2 | L152 I295 V302 Y303 | L152-P299 HydrophobicContact CB-CB 3.94Å; L152-P299 HydrophobicContact CB-CG 4.15Å; L152-P299 HydrophobicContact CD2-CB 4.42Å; L152-P299 HydrophobicContact CD2-CG 3.81Å; L152-P299 HydrophobicContact CG-CB 4.31Å; L152-P299 HydrophobicContact CG-CG 3.95Å; I295-P299 WeakPolarHBondContact O-CD 3.3Å; P299-V302 PolarHBondContact O-N 3.16Å; P299-Y303 WeakPolarHBondContact O-CB 3.46Å; P299-Y303 PolarHBondContact O-N 3.37Å |
| 300 | L | 67.1 | Low | 72.8 | Confident | 27 Ų | 27 | 80.8 Ų | 80.8 | 14% | 0.141 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 179.3 | -176.8 | 70.8 | 0 | 0 | 0 | 111.9 | W154 L297 W298 H304 L306 | W154-L300 HydrophobicContact CB-CD1 4.14Å; W154-L300 HydrophobicContact CG-CD1 3.89Å; L297-L300 WeakPolarHBondContact O-CB 3.32Å; L297-L300 PolarHBondContact O-N 2.84Å; L297-L300 VanDerWaalsContact O-N 3.09Å; W298-L300 VanDerWaalsContact C-N 3.33Å; W298-L300 PolarHBondContact O-N 3.41Å; L300-H304 PolarHBondContact O-N 3.45Å; L300-H304 VanDerWaalsContact O-N 3.08Å; L300-L306 HydrophobicContact CD2-CD1 4.19Å; L300-L306 HydrophobicContact CG-CD1 3.88Å |
| 301 | V | 68.8 | Low | 72.1 | Confident | 41 Ų | 41 | 84.1 Ų | 84.1 | 25% | 0.248 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 179.4 | 168.5 | 0 | 0 | 0 | 0 | 111.7 | L297 W298 L306 I307 | L297-V301 HydrophobicContact CB-CG2 4.46Å; L297-V301 WeakPolarHBondContact O-CB 3.41Å; L297-V301 VanDerWaalsContact O-CG2 3.3Å; L297-V301 WeakPolarHBondContact O-CG2 3.43Å; L297-V301 PolarHBondContact O-N 3.44Å; W298-V301 PolarHBondContact O-N 2.95Å; V301-L306 HydrophobicContact CG2-CD1 4.37Å; V301-L306 PolarHBondContact O-N 3.34Å; V301-L306 VanDerWaalsContact O-N 3.09Å; V301-I307 HydrophobicContact CG1-CD1 3.77Å; V301-I307 HydrophobicContact CG1-CG1 3.79Å |
| 302 | V | 69.8 | Low | 71.6 | Confident | 95 Ų | 95 | 84.5 Ų | 84.5 | 58% | 0.576 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -69.1 | -47.3 | 175.5 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | W298 P299 E305 | W298-V302 WeakPolarHBondContact O-CG2 3.33Å; W298-V302 PolarHBondContact O-N 2.83Å; W298-V302 VanDerWaalsContact O-N 3.09Å; P299-V302 PolarHBondContact O-N 3.16Å; V302-E305 PolarHBondContact O-N 2.93Å |
| 303 | Y | 63.9 | Low | 70.9 | Confident | 51 Ų | 51 | 91.4 Ų | 91.4 | 20% | 0.2 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69.8 | -46.1 | -171.3 | -174.5 | -85.4 | 0 | 0 | 0 | 114.2 | V153 P227 H228 P299 E305 | V153-Y303 HydrophobicContact CG1-CD1 3.78Å; V153-Y303 HydrophobicContact CG1-CD2 4.1Å; V153-Y303 HydrophobicContact CG1-CE1 3.44Å; V153-Y303 VanDerWaalsContact CG1-CE1 3.44Å; V153-Y303 HydrophobicContact CG1-CE2 3.74Å; V153-Y303 HydrophobicContact CG1-CG 4.1Å; V153-Y303 VanDerWaalsContact CG1-CZ 3.4Å; V153-Y303 HydrophobicContact CG2-CD2 3.72Å; V153-Y303 HydrophobicContact CG2-CE2 3.91Å; V153-Y303 HydrophobicContact CG2-CG 4.05Å; P227-Y303 PolarHBondContact O-OH 2.89Å; H228-Y303 HydrophobicContact CB-CE2 3.68Å; H228-Y303 WeakPolarHBondContact O-CE2 3.25Å; P299-Y303 WeakPolarHBondContact O-CB 3.46Å; P299-Y303 PolarHBondContact O-N 3.37Å; Y303-E305 PolarHBondContact O-N 2.91Å |
| 304 | H | 64 | Low | 70.5 | Confident | 78 Ų | 78 | 93 Ų | 93 | 36% | 0.361 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 7 | -179 | -94.1 | -73.4 | 0 | 0 | 0 | 113.2 | L300 L306 | L300-H304 PolarHBondContact O-N 3.45Å; L300-H304 VanDerWaalsContact O-N 3.08Å; H304-L306 HydrophobicContact CB-CD2 3.67Å; H304-L306 HydrophobicContact CB-CG 3.71Å; H304-L306 PolarHBondContact O-N 2.89Å |
| 305 | E | 67.1 | Low | 70.3 | Confident | 106 Ų | 106 | 96.2 Ų | 96.2 | 50% | 0.495 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 40.2 | -169 | -60 | -175.3 | 126.7 | 0 | 0 | 111.5 | V302 Y303 I307 Q308 R309 | V302-E305 PolarHBondContact O-N 2.93Å; Y303-E305 PolarHBondContact O-N 2.91Å; E305-I307 CarbonylContact O-C 3.5Å; E305-I307 PolarHBondContact O-N 3.42Å; E305-Q308 HydrophobicContact CB-CB 4.47Å; E305-Q308 PolarHBondContact O-N 3.21Å; E305-R309 PolarHBondContact O-N 3.38Å |
| 306 | L | 62.8 | Low | 70.1 | Confident | 52 Ų | 52 | 94.4 Ų | 94.4 | 27% | 0.272 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.3 | -24 | -170.4 | -68.7 | -177.3 | 0 | 0 | 0 | 112.5 | L300 V301 H304 M310 | L300-L306 HydrophobicContact CD2-CD1 4.19Å; L300-L306 HydrophobicContact CG-CD1 3.88Å; V301-L306 HydrophobicContact CG2-CD1 4.37Å; V301-L306 PolarHBondContact O-N 3.34Å; V301-L306 VanDerWaalsContact O-N 3.09Å; H304-L306 HydrophobicContact CB-CD2 3.67Å; H304-L306 HydrophobicContact CB-CG 3.71Å; H304-L306 PolarHBondContact O-N 2.89Å; L306-M310 WeakPolarHBondContact O-CA 3.39Å; L306-M310 WeakPolarHBondContact O-CB 3.43Å; L306-M310 WeakPolarHBondContact O-CG 3.47Å; L306-M310 PolarHBondContact O-N 3.43Å |
| 307 | I | 62.9 | Low | 69.9 | Low | 103 Ų | 103 | 98.1 Ų | 98.1 | 53% | 0.528 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -57.8 | -65.2 | 167.6 | -71.1 | 165.4 | 0 | 0 | 0 | 109.1 | V301 E305 R309 M310 Y311 | V301-I307 HydrophobicContact CG1-CD1 3.77Å; V301-I307 HydrophobicContact CG1-CG1 3.79Å; E305-I307 CarbonylContact O-C 3.5Å; E305-I307 PolarHBondContact O-N 3.42Å; I307-R309 VanDerWaalsContact C-N 3.3Å; I307-R309 PolarHBondContact O-N 2.85Å; I307-M310 PolarHBondContact O-N 3.46Å; I307-Y311 HydrophobicContact CG2-CD2 3.74Å; I307-Y311 HydrophobicContact CG2-CE2 3.91Å; I307-Y311 WeakPolarHBondContact O-CB 3.25Å; I307-Y311 VanDerWaalsContact O-CD2 3.26Å; I307-Y311 WeakPolarHBondContact O-CD2 3.38Å; I307-Y311 PolarHBondContact O-N 3.41Å |
| 308 | Q | 65.3 | Low | 70.1 | Confident | 120 Ų | 120 | 99.5 Ų | 99.5 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.8 | -39.9 | -179 | -59.4 | -173.8 | 20.1 | 0 | 0 | 112.3 | E305 M310 Y311 T312 | E305-Q308 HydrophobicContact CB-CB 4.47Å; E305-Q308 PolarHBondContact O-N 3.21Å; Q308-M310 PolarHBondContact O-N 3.12Å; Q308-Y311 PolarHBondContact O-N 2.84Å; Q308-T312 WeakPolarHBondContact O-CB 3.3Å; Q308-T312 WeakPolarHBondContact O-CG2 3.16Å; Q308-T312 PolarHBondContact O-N 2.9Å; Q308-T312 PolarHBondContact O-OG1 3.36Å |
| 309 | R | 68.8 | Low | 70.4 | Confident | 151 Ų | 151 | 95.4 Ų | 95.4 | 57% | 0.57 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -72 | -25.8 | -179.1 | -138.4 | -179.2 | -157.7 | 103.4 | 4.2 | 114.1 | E305 I307 T312 R313 | E305-R309 PolarHBondContact O-N 3.38Å; I307-R309 VanDerWaalsContact C-N 3.3Å; I307-R309 PolarHBondContact O-N 2.85Å; R309-T312 PolarHBondContact O-OG1 2.84Å; R309-R313 WeakPolarHBondContact O-CB 3.42Å; R309-R313 VanDerWaalsContact O-CG 3.23Å; R309-R313 WeakPolarHBondContact O-CG 3.13Å |
| 310 | M | 62.4 | Low | 70.9 | Confident | 99 Ų | 99 | 100.1 Ų | 100.1 | 49% | 0.488 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -85.2 | -41.1 | 169.1 | -69.7 | -75.2 | 93.1 | 0 | 0 | 111.4 | L306 I307 Q308 T312 R313 L314 | L306-M310 WeakPolarHBondContact O-CA 3.39Å; L306-M310 WeakPolarHBondContact O-CB 3.43Å; L306-M310 WeakPolarHBondContact O-CG 3.47Å; L306-M310 PolarHBondContact O-N 3.43Å; I307-M310 PolarHBondContact O-N 3.46Å; Q308-M310 PolarHBondContact O-N 3.12Å; M310-T312 PolarHBondContact O-N 3.22Å; M310-R313 HydrophobicContact CE-CB 4.33Å; M310-R313 HydrophobicContact CE-CG 4.46Å; M310-R313 CarbonylContact O-C 3.53Å; M310-R313 PolarHBondContact O-N 2.94Å; M310-R313 VanDerWaalsContact O-N 3.08Å; M310-L314 HydrophobicContact CB-CD1 4.23Å; M310-L314 WeakPolarHBondContact O-CB 3.28Å; M310-L314 WeakPolarHBondContact O-CD1 3.23Å; M310-L314 WeakPolarHBondContact O-CG 3.4Å; M310-L314 PolarHBondContact O-N 3.01Å |
| 311 | Y | 68.8 | Low | 71.5 | Confident | 165 Ų | 165 | 103.3 Ų | 103.3 | 65% | 0.647 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -57.9 | -47.2 | 175.7 | -90 | -79.3 | 0 | 0 | 0 | 111.2 | I307 Q308 R313 L314 E315 | I307-Y311 HydrophobicContact CG2-CD2 3.74Å; I307-Y311 HydrophobicContact CG2-CE2 3.91Å; I307-Y311 WeakPolarHBondContact O-CB 3.25Å; I307-Y311 VanDerWaalsContact O-CD2 3.26Å; I307-Y311 WeakPolarHBondContact O-CD2 3.38Å; I307-Y311 PolarHBondContact O-N 3.41Å; Q308-Y311 PolarHBondContact O-N 2.84Å; Y311-R313 VanDerWaalsContact C-N 3.3Å; Y311-R313 PolarHBondContact O-N 3.42Å; Y311-L314 CarbonylContact O-C 3.56Å; Y311-L314 PolarHBondContact O-N 2.86Å; Y311-E315 VanDerWaalsContact O-CB 3.26Å; Y311-E315 WeakPolarHBondContact O-CB 3.22Å; Y311-E315 PolarHBondContact O-N 3.08Å |
| 312 | T | 72.5 | Confident | 72.2 | Confident | 83 Ų | 83 | 104.5 Ų | 104.5 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.4 | -23.8 | 174.5 | 49.2 | 0 | 0 | 0 | 0 | 114.6 | Q308 R309 M310 P316 | Q308-T312 WeakPolarHBondContact O-CB 3.3Å; Q308-T312 WeakPolarHBondContact O-CG2 3.16Å; Q308-T312 PolarHBondContact O-N 2.9Å; Q308-T312 PolarHBondContact O-OG1 3.36Å; R309-T312 PolarHBondContact O-OG1 2.84Å; M310-T312 PolarHBondContact O-N 3.22Å; T312-P316 VanDerWaalsContact O-CD 3.24Å; T312-P316 WeakPolarHBondContact O-CD 3.25Å |
| 313 | R | 69.8 | Low | 72.6 | Confident | 186 Ų | 186 | 107.2 Ų | 107.2 | 70% | 0.702 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -85.5 | -26.1 | 172.2 | -77.7 | -70.3 | -170 | 175.9 | 0.2 | 113.2 | R309 M310 Y311 | R309-R313 WeakPolarHBondContact O-CB 3.42Å; R309-R313 VanDerWaalsContact O-CG 3.23Å; R309-R313 WeakPolarHBondContact O-CG 3.13Å; M310-R313 HydrophobicContact CE-CB 4.33Å; M310-R313 HydrophobicContact CE-CG 4.46Å; M310-R313 CarbonylContact O-C 3.53Å; M310-R313 PolarHBondContact O-N 2.94Å; M310-R313 VanDerWaalsContact O-N 3.08Å; Y311-R313 VanDerWaalsContact C-N 3.3Å; Y311-R313 PolarHBondContact O-N 3.42Å |
| 314 | L | 72.9 | Confident | 73.3 | Confident | 88 Ų | 88 | 107.9 Ų | 107.9 | 46% | 0.461 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -86.4 | -30.3 | 177.4 | -73.4 | 165.5 | 0 | 0 | 0 | 111.6 | M310 Y311 L317 L318 | M310-L314 HydrophobicContact CB-CD1 4.23Å; M310-L314 WeakPolarHBondContact O-CB 3.28Å; M310-L314 WeakPolarHBondContact O-CD1 3.23Å; M310-L314 WeakPolarHBondContact O-CG 3.4Å; M310-L314 PolarHBondContact O-N 3.01Å; Y311-L314 CarbonylContact O-C 3.56Å; Y311-L314 PolarHBondContact O-N 2.86Å; L314-L317 CarbonylContact O-C 3.51Å; L314-L317 WeakPolarHBondContact O-CA 3.23Å; L314-L317 WeakPolarHBondContact O-CB 3.37Å; L314-L317 PolarHBondContact O-N 2.77Å; L314-L318 VanDerWaalsContact O-CB 3.28Å; L314-L318 WeakPolarHBondContact O-CB 3.19Å; L314-L318 PolarHBondContact O-N 3.28Å |
| 315 | E | 81.2 | Confident | 74 | Confident | 128 Ų | 128 | 109.4 Ų | 109.4 | 60% | 0.598 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -50.2 | -50.8 | 177.2 | -179.7 | 166.8 | -155 | 0 | 0 | 113.6 | Y311 L317 L318 M319 | Y311-E315 VanDerWaalsContact O-CB 3.26Å; Y311-E315 WeakPolarHBondContact O-CB 3.22Å; Y311-E315 PolarHBondContact O-N 3.08Å; E315-L317 VanDerWaalsContact C-N 3.31Å; E315-L317 PolarHBondContact O-N 2.81Å; E315-L318 PolarHBondContact O-N 3.43Å; E315-M319 WeakPolarHBondContact O-CB 3.27Å; E315-M319 PolarHBondContact O-N 3.4Å |
| 316 | P | 77.7 | Confident | 74.7 | Confident | 68 Ų | 68 | 109.3 Ų | 109.3 | 44% | 0.442 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.9 | -32.4 | 174.6 | 24.9 | -34.7 | 0 | 0 | 0 | 113.2 | T312 Q320 | T312-P316 VanDerWaalsContact O-CD 3.24Å; T312-P316 WeakPolarHBondContact O-CD 3.25Å; P316-Q320 VanDerWaalsContact O-CB 3.27Å; P316-Q320 WeakPolarHBondContact O-CB 3.37Å; P316-Q320 PolarHBondContact O-N 2.86Å |
| 317 | L | 75.5 | Confident | 75.4 | Confident | 101 Ų | 101 | 109.7 Ų | 109.7 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -74.2 | -39.3 | 177.9 | -64.3 | 174.8 | 0 | 0 | 0 | 112.1 | L314 E315 Q320 L321 | L314-L317 CarbonylContact O-C 3.51Å; L314-L317 WeakPolarHBondContact O-CA 3.23Å; L314-L317 WeakPolarHBondContact O-CB 3.37Å; L314-L317 PolarHBondContact O-N 2.77Å; E315-L317 VanDerWaalsContact C-N 3.31Å; E315-L317 PolarHBondContact O-N 2.81Å; L317-Q320 PolarHBondContact O-N 3Å; L317-L321 VanDerWaalsContact O-CB 3.31Å; L317-L321 WeakPolarHBondContact O-CB 3.42Å; L317-L321 PolarHBondContact O-N 3.12Å |
| 318 | L | 80.1 | Confident | 76.2 | Confident | 119 Ų | 119 | 111.3 Ų | 111.3 | 62% | 0.623 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -72.6 | -39.3 | 178.3 | -164.2 | 160.6 | 0 | 0 | 0 | 109.9 | L314 E315 L321 D322 | L314-L318 VanDerWaalsContact O-CB 3.28Å; L314-L318 WeakPolarHBondContact O-CB 3.19Å; L314-L318 PolarHBondContact O-N 3.28Å; E315-L318 PolarHBondContact O-N 3.43Å; L318-L321 CarbonylContact O-C 3.58Å; L318-L321 PolarHBondContact O-N 3.49Å; L318-D322 PolarHBondContact O-N 2.83Å |
| 319 | M | 83.8 | Confident | 76.9 | Confident | 106 Ų | 106 | 108.1 Ų | 108.1 | 52% | 0.522 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 168.7 | -178.4 | 173.3 | 65.4 | 0 | 0 | 111.3 | E315 L321 D322 Y323 | E315-M319 WeakPolarHBondContact O-CB 3.27Å; E315-M319 PolarHBondContact O-N 3.4Å; M319-L321 PolarHBondContact O-N 3.21Å; M319-D322 PolarHBondContact O-N 3.38Å; M319-Y323 HydrophobicContact CG-CD2 3.71Å; M319-Y323 HydrophobicContact CG-CE2 3.58Å; M319-Y323 WeakPolarHBondContact O-CB 3.45Å; M319-Y323 WeakPolarHBondContact O-CD2 3.38Å; M319-Y323 PolarHBondContact O-N 3.29Å; M319-Y323 HydrophobicContact SD-CE2 4.03Å |
| 320 | Q | 83.4 | Confident | 77.4 | Confident | 135 Ų | 135 | 105.9 Ų | 105.9 | 63% | 0.631 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.1 | -33.5 | 174.5 | -172.6 | -179 | -98.4 | 0 | 0 | 112.2 | P316 L317 S324 | P316-Q320 VanDerWaalsContact O-CB 3.27Å; P316-Q320 WeakPolarHBondContact O-CB 3.37Å; P316-Q320 PolarHBondContact O-N 2.86Å; L317-Q320 PolarHBondContact O-N 3Å; Q320-S324 WeakPolarHBondContact O-CB 3.21Å; Q320-S324 PolarHBondContact O-N 3.2Å |
| 321 | L | 80.8 | Confident | 78.2 | Confident | 95 Ų | 95 | 103.2 Ų | 103.2 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -79.9 | -35.2 | 179.5 | -157.2 | 152.8 | 0 | 0 | 0 | 112.6 | L317 L318 M319 S324 M325 | L317-L321 VanDerWaalsContact O-CB 3.31Å; L317-L321 WeakPolarHBondContact O-CB 3.42Å; L317-L321 PolarHBondContact O-N 3.12Å; L318-L321 CarbonylContact O-C 3.58Å; L318-L321 PolarHBondContact O-N 3.49Å; M319-L321 PolarHBondContact O-N 3.21Å; L321-S324 WeakPolarHBondContact CA-OG 3.4Å; L321-S324 PolarHBondContact O-N 2.98Å; L321-S324 PolarHBondContact O-OG 3.47Å; L321-S324 VanDerWaalsContact O-OG 3.08Å; L321-M325 HydrophobicContact CD2-CE 3.77Å; L321-M325 HydrophobicContact CD2-CG 3.94Å; L321-M325 HydrophobicContact CD2-SD 3.79Å; L321-M325 WeakPolarHBondContact O-CB 3.44Å; L321-M325 WeakPolarHBondContact O-CG 3.2Å; L321-M325 PolarHBondContact O-N 3.47Å |
| 322 | D | 82.6 | Confident | 78.5 | Confident | 66 Ų | 66 | 100.6 Ų | 100.6 | 35% | 0.353 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 166.7 | -179.1 | 63.5 | 0 | 0 | 0 | 110.3 | L318 M319 S324 K326 | L318-D322 PolarHBondContact O-N 2.83Å; M319-D322 PolarHBondContact O-N 3.38Å; D322-S324 PolarHBondContact O-N 3.16Å; D322-K326 WeakPolarHBondContact O-CB 3.27Å; D322-K326 PolarHBondContact O-N 3.17Å; D322-K326 IonicContact OD1-NZ 2.69Å; D322-K326 PolarHBondContact OD1-NZ 3.39Å; D322-K326 IonicContact OD2-NZ 3.55Å; D322-K326 PolarHBondContact OD2-NZ 2.88Å |
| 323 | Y | 78.3 | Confident | 78.4 | Confident | 151 Ų | 151 | 103.5 Ų | 103.5 | 59% | 0.592 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61 | -40.1 | 173.6 | -84.1 | -61.6 | 0 | 0 | 0 | 112.8 | M319 A327 | M319-Y323 HydrophobicContact CG-CD2 3.71Å; M319-Y323 HydrophobicContact CG-CE2 3.58Å; M319-Y323 WeakPolarHBondContact O-CB 3.45Å; M319-Y323 WeakPolarHBondContact O-CD2 3.38Å; M319-Y323 PolarHBondContact O-N 3.29Å; M319-Y323 HydrophobicContact SD-CE2 4.03Å; Y323-A327 WeakPolarHBondContact O-CB 3.43Å; Y323-A327 PolarHBondContact O-N 3.28Å |
| 324 | S | 78.4 | Confident | 78.7 | Confident | 66 Ų | 66 | 99.7 Ų | 99.7 | 46% | 0.462 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.6 | -46.5 | 178.5 | 72.9 | 0 | 0 | 0 | 0 | 112.2 | Q320 L321 D322 K326 A327 E328 | Q320-S324 WeakPolarHBondContact O-CB 3.21Å; Q320-S324 PolarHBondContact O-N 3.2Å; L321-S324 WeakPolarHBondContact CA-OG 3.4Å; L321-S324 PolarHBondContact O-N 2.98Å; L321-S324 PolarHBondContact O-OG 3.47Å; L321-S324 VanDerWaalsContact O-OG 3.08Å; D322-S324 PolarHBondContact O-N 3.16Å; S324-K326 VanDerWaalsContact C-N 3.35Å; S324-K326 PolarHBondContact O-N 2.83Å; S324-A327 PolarHBondContact O-N 3.47Å; S324-E328 WeakPolarHBondContact O-CB 3.34Å; S324-E328 PolarHBondContact O-N 2.84Å |
| 325 | M | 79.5 | Confident | 78.8 | Confident | 109 Ų | 109 | 102.3 Ų | 102.3 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 174.7 | -71.6 | -167 | -53.2 | 0 | 0 | 111.9 | L321 E328 A329 | L321-M325 HydrophobicContact CD2-CE 3.77Å; L321-M325 HydrophobicContact CD2-CG 3.94Å; L321-M325 HydrophobicContact CD2-SD 3.79Å; L321-M325 WeakPolarHBondContact O-CB 3.44Å; L321-M325 WeakPolarHBondContact O-CG 3.2Å; L321-M325 PolarHBondContact O-N 3.47Å; M325-E328 PolarHBondContact O-N 3.28Å; M325-A329 WeakPolarHBondContact O-CB 3.41Å; M325-A329 PolarHBondContact O-N 2.58Å |
| 326 | K | 80.4 | Confident | 78.3 | Confident | 105 Ų | 105 | 101.9 Ų | 101.9 | 46% | 0.457 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.9 | -36.9 | 178.4 | -174 | 175.3 | -90.4 | 144.2 | 0 | 111.3 | D322 S324 N330 | D322-K326 WeakPolarHBondContact O-CB 3.27Å; D322-K326 PolarHBondContact O-N 3.17Å; D322-K326 IonicContact OD1-NZ 2.69Å; D322-K326 PolarHBondContact OD1-NZ 3.39Å; D322-K326 IonicContact OD2-NZ 3.55Å; D322-K326 PolarHBondContact OD2-NZ 2.88Å; S324-K326 VanDerWaalsContact C-N 3.35Å; S324-K326 PolarHBondContact O-N 2.83Å; K326-N330 WeakPolarHBondContact O-CB 3.2Å; K326-N330 PolarHBondContact O-N 3.49Å; K326-N330 PolarHBondContact O-ND2 3.31Å |
| 327 | A | 79.3 | Confident | 78 | Confident | 60 Ų | 60 | 101.5 Ų | 101.5 | 50% | 0.496 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.3 | -43.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y323 S324 N330 A331 | Y323-A327 WeakPolarHBondContact O-CB 3.43Å; Y323-A327 PolarHBondContact O-N 3.28Å; S324-A327 PolarHBondContact O-N 3.47Å; A327-N330 PolarHBondContact O-N 2.86Å; A327-A331 WeakPolarHBondContact O-CB 3.31Å; A327-A331 PolarHBondContact O-N 2.86Å |
| 328 | E | 78.9 | Confident | 77.8 | Confident | 137 Ų | 137 | 102.3 Ų | 102.3 | 64% | 0.64 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.7 | -46.9 | 177 | -178.3 | 159.6 | -140.8 | 0 | 0 | 111.7 | S324 M325 N330 A331 L332 | S324-E328 WeakPolarHBondContact O-CB 3.34Å; S324-E328 PolarHBondContact O-N 2.84Å; M325-E328 PolarHBondContact O-N 3.28Å; E328-N330 VanDerWaalsContact C-N 3.35Å; E328-N330 PolarHBondContact O-N 3.39Å; E328-A331 CarbonylContact O-C 3.58Å; E328-A331 WeakPolarHBondContact O-CB 3.23Å; E328-A331 PolarHBondContact O-N 3.39Å; E328-A331 VanDerWaalsContact O-N 3.09Å; E328-L332 WeakPolarHBondContact O-CB 3.39Å; E328-L332 PolarHBondContact O-N 2.8Å |
| 329 | A | 79.1 | Confident | 77.3 | Confident | 53 Ų | 53 | 106.2 Ų | 106.2 | 44% | 0.438 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.9 | -45.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | M325 A331 L332 H333 | M325-A329 WeakPolarHBondContact O-CB 3.41Å; M325-A329 PolarHBondContact O-N 2.58Å; A329-A331 PolarHBondContact O-N 3.49Å; A329-L332 PolarHBondContact O-N 2.86Å; A329-H333 WeakPolarHBondContact O-CB 3.42Å; A329-H333 PolarHBondContact O-N 3.24Å |
| 330 | N | 80 | Confident | 76.3 | Confident | 104 Ų | 104 | 108.6 Ų | 108.6 | 56% | 0.556 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.3 | -40.1 | 174.1 | -78.3 | -35 | 0 | 0 | 0 | 112.2 | K326 A327 E328 H334 | K326-N330 WeakPolarHBondContact O-CB 3.2Å; K326-N330 PolarHBondContact O-N 3.49Å; K326-N330 PolarHBondContact O-ND2 3.31Å; A327-N330 PolarHBondContact O-N 2.86Å; E328-N330 VanDerWaalsContact C-N 3.35Å; E328-N330 PolarHBondContact O-N 3.39Å; N330-H334 VanDerWaalsContact O-CB 3.29Å; N330-H334 WeakPolarHBondContact O-CB 3.49Å; N330-H334 PolarHBondContact O-N 2.86Å |
| 331 | A | 79.2 | Confident | 75.3 | Confident | 43 Ų | 43 | 109.8 Ų | 109.8 | 36% | 0.355 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.1 | -37.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A327 E328 A329 K335 | A327-A331 WeakPolarHBondContact O-CB 3.31Å; A327-A331 PolarHBondContact O-N 2.86Å; E328-A331 CarbonylContact O-C 3.58Å; E328-A331 WeakPolarHBondContact O-CB 3.23Å; E328-A331 PolarHBondContact O-N 3.39Å; E328-A331 VanDerWaalsContact O-N 3.09Å; A329-A331 PolarHBondContact O-N 3.49Å; A331-K335 WeakPolarHBondContact O-CB 3.47Å; A331-K335 WeakPolarHBondContact O-CD 3.5Å; A331-K335 WeakPolarHBondContact O-CG 3.26Å; A331-K335 PolarHBondContact O-N 2.85Å |
| 332 | L | 76.3 | Confident | 74.3 | Confident | 110 Ų | 110 | 112.6 Ų | 112.6 | 58% | 0.576 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68 | -47.5 | 175.7 | -130.4 | 169.8 | 0 | 0 | 0 | 111 | E328 A329 H334 K335 H336 | E328-L332 WeakPolarHBondContact O-CB 3.39Å; E328-L332 PolarHBondContact O-N 2.8Å; A329-L332 PolarHBondContact O-N 2.86Å; L332-H334 VanDerWaalsContact C-N 3.32Å; L332-H334 PolarHBondContact O-N 2.86Å; L332-K335 WeakPolarHBondContact O-CB 3.47Å; L332-K335 PolarHBondContact O-N 2.83Å; L332-H336 WeakPolarHBondContact O-CB 3.31Å; L332-H336 PolarHBondContact O-N 3.44Å |
| 333 | H | 70.1 | Confident | 73.1 | Confident | 144 Ų | 144 | 112.6 Ų | 112.6 | 67% | 0.667 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -57.6 | -44 | 173.6 | -118.4 | -96.9 | 0 | 0 | 0 | 111.8 | A329 H336 D337 | A329-H333 WeakPolarHBondContact O-CB 3.42Å; A329-H333 PolarHBondContact O-N 3.24Å; H333-H336 PolarHBondContact O-N 2.97Å; H333-D337 PolarHBondContact O-N 3.27Å |
| 334 | H | 75.1 | Confident | 72.1 | Confident | 105 Ų | 105 | 114 Ų | 114 | 49% | 0.486 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -72.3 | -33.2 | -179 | -163.2 | 12.8 | 0 | 0 | 0 | 112.6 | N330 L332 K338 | N330-H334 VanDerWaalsContact O-CB 3.29Å; N330-H334 WeakPolarHBondContact O-CB 3.49Å; N330-H334 PolarHBondContact O-N 2.86Å; L332-H334 VanDerWaalsContact C-N 3.32Å; L332-H334 PolarHBondContact O-N 2.86Å; H334-K338 PolarHBondContact CD2-NZ 3.48Å; H334-K338 WeakPolarHBondContact CE1-CE 3.12Å; H334-K338 PolarHBondContact CE1-NZ 3.42Å; H334-K338 PolarHBondContact NE2-NZ 3.45Å; H334-K338 WeakPolarHBondContact O-CB 3.18Å; H334-K338 WeakPolarHBondContact O-CD 3.35Å; H334-K338 VanDerWaalsContact O-CG 3.3Å; H334-K338 WeakPolarHBondContact O-CG 3.24Å; H334-K338 PolarHBondContact O-N 3.13Å; H334-K338 VanDerWaalsContact O-N 3.08Å |
| 335 | K | 74.9 | Confident | 70.6 | Confident | 144 Ų | 144 | 117.3 Ų | 117.3 | 63% | 0.626 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.6 | -43.4 | 167.3 | -74.1 | 164.2 | -174.2 | 172.8 | 0 | 110.9 | A331 L332 K338 R339 | A331-K335 WeakPolarHBondContact O-CB 3.47Å; A331-K335 WeakPolarHBondContact O-CD 3.5Å; A331-K335 WeakPolarHBondContact O-CG 3.26Å; A331-K335 PolarHBondContact O-N 2.85Å; L332-K335 WeakPolarHBondContact O-CB 3.47Å; L332-K335 PolarHBondContact O-N 2.83Å; K335-K338 PolarHBondContact O-N 3.14Å; K335-R339 PolarHBondContact O-N 3.21Å |
| 336 | H | 70.9 | Confident | 69.2 | Low | 119 Ų | 119 | 115.7 Ų | 115.7 | 55% | 0.551 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.6 | -46.7 | -179.4 | -168 | -129.8 | 0 | 0 | 0 | 112.6 | L332 H333 K338 R339 K340 | L332-H336 WeakPolarHBondContact O-CB 3.31Å; L332-H336 PolarHBondContact O-N 3.44Å; H333-H336 PolarHBondContact O-N 2.97Å; H336-K338 PolarHBondContact O-N 3.28Å; H336-R339 PolarHBondContact O-N 3.49Å; H336-K340 WeakPolarHBondContact O-CB 3.39Å; H336-K340 PolarHBondContact O-N 3.41Å |
| 337 | D | 72.6 | Confident | 68 | Low | 60 Ų | 60 | 116.5 Ų | 116.5 | 32% | 0.321 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.6 | -36.5 | 176.4 | -171.3 | 48 | 0 | 0 | 0 | 112.2 | H333 K340 R341 | H333-D337 PolarHBondContact O-N 3.27Å; D337-K340 PolarHBondContact O-N 2.92Å; D337-R341 WeakPolarHBondContact O-CB 3.31Å; D337-R341 WeakPolarHBondContact O-CG 3.44Å; D337-R341 PolarHBondContact O-N 2.86Å; D337-R341 IonicContact OD1-NE 2.74Å; D337-R341 IonicContact OD1-NH2 3.17Å; D337-R341 IonicContact OD2-CZ 3.74Å; D337-R341 VanDerWaalsContact OD2-CZ 3.26Å; D337-R341 IonicContact OD2-NE 3.73Å; D337-R341 PolarHBondContact OD2-NE 2.82Å; D337-R341 IonicContact OD2-NH2 2.77Å; D337-R341 PolarHBondContact OD2-NH2 3.28Å |
| 338 | K | 71.1 | Confident | 66.7 | Low | 117 Ų | 117 | 120.1 Ų | 120.1 | 51% | 0.509 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -59.7 | -46 | 171.2 | -81.1 | 168.8 | 170.5 | 153.8 | 0 | 111.6 | H334 K335 H336 R341 Q342 | H334-K338 PolarHBondContact CD2-NZ 3.48Å; H334-K338 WeakPolarHBondContact CE1-CE 3.12Å; H334-K338 PolarHBondContact CE1-NZ 3.42Å; H334-K338 PolarHBondContact NE2-NZ 3.45Å; H334-K338 WeakPolarHBondContact O-CB 3.18Å; H334-K338 WeakPolarHBondContact O-CD 3.35Å; H334-K338 VanDerWaalsContact O-CG 3.3Å; H334-K338 WeakPolarHBondContact O-CG 3.24Å; H334-K338 PolarHBondContact O-N 3.13Å; H334-K338 VanDerWaalsContact O-N 3.08Å; K335-K338 PolarHBondContact O-N 3.14Å; H336-K338 PolarHBondContact O-N 3.28Å; K338-R341 PolarHBondContact O-N 2.79Å; K338-Q342 WeakPolarHBondContact O-CB 3.41Å; K338-Q342 PolarHBondContact O-N 2.81Å |
| 339 | R | 69.6 | Low | 64.7 | Low | 201 Ų | 201 | 117.4 Ų | 117.4 | 76% | 0.758 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.3 | -44.2 | 176 | -166.6 | 178.7 | -176.1 | -167.7 | 0.3 | 111.7 | K335 H336 R341 Q342 G343 | K335-R339 PolarHBondContact O-N 3.21Å; H336-R339 PolarHBondContact O-N 3.49Å; R339-R341 PolarHBondContact O-N 3.49Å; R339-Q342 PolarHBondContact O-N 3.2Å; R339-G343 PolarHBondContact O-N 3.4Å |
| 340 | K | 62.6 | Low | 62.6 | Low | 156 Ų | 156 | 118.5 Ų | 118.5 | 68% | 0.678 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.5 | -38.3 | 178.3 | -171.2 | 171.1 | -176 | 171.8 | 0 | 112.8 | H336 D337 | H336-K340 WeakPolarHBondContact O-CB 3.39Å; H336-K340 PolarHBondContact O-N 3.41Å; D337-K340 PolarHBondContact O-N 2.92Å |
| 341 | R | 61.9 | Low | 60.7 | Low | 161 Ų | 161 | 121 Ų | 121 | 61% | 0.608 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71.2 | -42.5 | 173.4 | -70.3 | 177.3 | -165.2 | -105.8 | -0.9 | 112.3 | D337 K338 R339 G343 K344 | D337-R341 WeakPolarHBondContact O-CB 3.31Å; D337-R341 WeakPolarHBondContact O-CG 3.44Å; D337-R341 PolarHBondContact O-N 2.86Å; D337-R341 IonicContact OD1-NE 2.74Å; D337-R341 IonicContact OD1-NH2 3.17Å; D337-R341 IonicContact OD2-CZ 3.74Å; D337-R341 VanDerWaalsContact OD2-CZ 3.26Å; D337-R341 IonicContact OD2-NE 3.73Å; D337-R341 PolarHBondContact OD2-NE 2.82Å; D337-R341 IonicContact OD2-NH2 2.77Å; D337-R341 PolarHBondContact OD2-NH2 3.28Å; K338-R341 PolarHBondContact O-N 2.79Å; R339-R341 PolarHBondContact O-N 3.49Å; R341-G343 VanDerWaalsContact C-N 3.33Å; R341-G343 PolarHBondContact O-N 2.86Å; R341-K344 PolarHBondContact O-N 3.49Å; R341-K344 VanDerWaalsContact O-N 3.07Å |
| 342 | Q | 59 | Low | 58.8 | Low | 154 Ų | 154 | 127.5 Ų | 127.5 | 72% | 0.72 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -66.9 | -34.7 | -177.3 | -167.4 | 161.9 | 8.5 | 0 | 0 | 112.3 | K338 R339 K344 N345 | K338-Q342 WeakPolarHBondContact O-CB 3.41Å; K338-Q342 PolarHBondContact O-N 2.81Å; R339-Q342 PolarHBondContact O-N 3.2Å; Q342-K344 PolarHBondContact O-N 3.33Å; Q342-N345 PolarHBondContact O-N 2.76Å |
| 343 | G | 58.5 | Low | 57.8 | Low | 66 Ų | 66 | 127.6 Ų | 127.6 | 68% | 0.68 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -15.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R339 R341 | R339-G343 PolarHBondContact O-N 3.4Å; R341-G343 VanDerWaalsContact C-N 3.33Å; R341-G343 PolarHBondContact O-N 2.86Å |
| 344 | K | 56.3 | Low | 56.1 | Low | 181 Ų | 181 | 128.9 Ų | 128.9 | 79% | 0.787 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -0.8 | 179.4 | -165.2 | 157.3 | -177.3 | 167.8 | 0 | 114.1 | R341 Q342 | R341-K344 PolarHBondContact O-N 3.49Å; R341-K344 VanDerWaalsContact O-N 3.07Å; Q342-K344 PolarHBondContact O-N 3.33Å |
| 345 | N | 47.3 | Very low | 54.3 | Low | 134 Ų | 134 | 127.6 Ų | 127.6 | 72% | 0.717 | 71% | 0.705 | S | S | * | * | trans | -111.1 | 12 | -176.9 | -69.6 | -8.3 | 0 | 0 | 0 | 113.8 | Q342 | Q342-N345 PolarHBondContact O-N 2.76Š| ||
| 346 | A | 51.2 | Low | 52.8 | Low | 76 Ų | 76 | 130.3 Ų | 130.3 | 63% | 0.628 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -71.8 | 140.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 347 | P | 54.1 | Low | 51.1 | Low | 121 Ų | 121 | 130.3 Ų | 130.3 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 144.8 | 176.9 | -19.3 | 32.2 | 0 | 0 | 0 | 112 | ||
| 348 | P | 51.3 | Low | 49.7 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 131.2 | 175.2 | 30.7 | -33.7 | 0 | 0 | 0 | 110.8 | ||
| 349 | G | 37.8 | Very low | 48.3 | Very low | 79 Ų | 79 | 135.5 Ų | 135.5 | 81% | 0.814 | 76% | 0.761 | S | S | * | * | trans | -176.8 | 126.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 350 | G | 35.6 | Very low | 47.1 | Very low | 76 Ų | 76 | 134.9 Ų | 134.9 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | trans | 98.4 | 91.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 351 | D | 39.5 | Very low | 46.2 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | trans | -63.5 | 145.2 | 171.4 | -44.5 | -91.4 | 0 | 0 | 0 | 112.3 | ||||
| 352 | E | 38.8 | Very low | 45.5 | Very low | 180 Ų | 180 | 131.9 Ų | 131.9 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | 177.4 | 144.1 | 126.6 | -90 | -82.4 | 76.4 | 0 | 0 | 109.1 | |||||
| 353 | P | 55.2 | Low | 45.2 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | trans | -105.9 | 133.8 | -169.7 | 36.7 | -30.3 | 0 | 0 | 0 | 114.2 | ||||
| 354 | L | 34.2 | Very low | 44.8 | Very low | 172 Ų | 172 | 133 Ų | 133 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | trans | -153.4 | 132.4 | 162.9 | -163.9 | 58.6 | 0 | 0 | 0 | 114.8 | ||||
| 355 | A | 37.6 | Very low | 44.4 | Very low | 78 Ų | 78 | 131 Ų | 131 | 65% | 0.645 | 77% | 0.771 | S | S | * | * | trans | 52.4 | 105.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | T357 | A355-T357 PolarHBondContact O-N 3Š| ||
| 356 | E | 43.1 | Very low | 44.5 | Very low | 200 Ų | 200 | 128.5 Ų | 128.5 | 94% | 0.935 | 77% | 0.768 | S | S | * | * | trans | -70.1 | 115.6 | 154.2 | -63.5 | 172.7 | 149.2 | 0 | 0 | 109 | ||||
| 357 | T | 36 | Very low | 44.5 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -130 | 98.4 | 161.8 | 57.1 | 0 | 0 | 0 | 0 | 109 | A355 S359 | A355-T357 PolarHBondContact O-N 3Å; T357-S359 PolarHBondContact O-N 2.69Å; T357-S359 VanDerWaalsContact O-N 3.12Å | ||
| 358 | E | 43.6 | Very low | 44.2 | Very low | 205 Ų | 205 | 131 Ų | 131 | 96% | 0.958 | 77% | 0.771 | S | S | * | * | trans | -65.7 | 105.5 | 169.1 | 58.5 | -158 | 147 | 0 | 0 | 109.7 | ||||
| 359 | S | 40.1 | Very low | 43.7 | Very low | 80 Ų | 80 | 128.7 Ų | 128.7 | 56% | 0.559 | 76% | 0.758 | S | S | * | * | trans | -138.8 | 84.7 | 177.5 | -169.8 | 0 | 0 | 0 | 0 | 108.7 | T357 S361 | T357-S359 PolarHBondContact O-N 2.69Å; T357-S359 VanDerWaalsContact O-N 3.12Å; S359-S361 PolarHBondContact O-N 3.41Å | ||
| 360 | E | 44.6 | Very low | 44 | Very low | 188 Ų | 188 | 129.6 Ų | 129.6 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -0.5 | -173.7 | 57.7 | -164 | 142.3 | 0 | 0 | 114.2 | ||
| 361 | S | 45.3 | Very low | 44.9 | Very low | 91 Ų | 91 | 133 Ų | 133 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -11.5 | -171.2 | 58.4 | 0 | 0 | 0 | 0 | 116.8 | S359 | S359-S361 PolarHBondContact O-N 3.41Š|
| 362 | E | 46.5 | Very low | 45.8 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -90.1 | -20 | -179.1 | -155.8 | 179.1 | 132.5 | 0 | 0 | 113.1 | E364 | E362-E364 PolarHBondContact O-N 3.42Š|
| 363 | A | 52.4 | Low | 46.1 | Very low | 79 Ų | 79 | 124.1 Ų | 124.1 | 65% | 0.653 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -31.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 364 | E | 50.6 | Low | 46.5 | Very low | 164 Ų | 164 | 124.3 Ų | 124.3 | 77% | 0.766 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -28.7 | -174.6 | -56 | -157.6 | 146.1 | 0 | 0 | 113.1 | E362 A366 G367 | E362-E364 PolarHBondContact O-N 3.42Å; E364-A366 VanDerWaalsContact C-N 3.29Å; E364-A366 PolarHBondContact O-N 3.22Å; E364-G367 PolarHBondContact O-N 3.22Å; E364-G367 VanDerWaalsContact O-N 3.16Å |
| 365 | L | 48.1 | Very low | 47.5 | Very low | 141 Ų | 141 | 124.3 Ų | 124.3 | 74% | 0.738 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -68.9 | -25.6 | 176.9 | -91.2 | 160 | 0 | 0 | 0 | 113.1 | G367 | L365-G367 PolarHBondContact O-N 3.03Š|
| 366 | A | 48.6 | Very low | 48.6 | Very low | 80 Ų | 80 | 126.8 Ų | 126.8 | 66% | 0.661 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -69.2 | -13.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E364 | E364-A366 VanDerWaalsContact C-N 3.29Å; E364-A366 PolarHBondContact O-N 3.22Å |
| 367 | G | 51 | Low | 49.8 | Very low | 63 Ų | 63 | 120.1 Ų | 120.1 | 65% | 0.649 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -74.3 | -21.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | E364 L365 | E364-G367 PolarHBondContact O-N 3.22Å; E364-G367 VanDerWaalsContact O-N 3.16Å; L365-G367 PolarHBondContact O-N 3.03Å |
| 368 | F | 48 | Very low | 51 | Low | 187 Ų | 187 | 117 Ų | 117 | 82% | 0.82 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -101.8 | 14.6 | -171.7 | -70.8 | -79 | 0 | 0 | 0 | 114.8 | P370 | F368-P370 VanDerWaalsContact O-CD 3.23Å; F368-P370 WeakPolarHBondContact O-CD 3.45Å |
| 369 | S | 42 | Very low | 51.9 | Low | 89 Ų | 89 | 112.5 Ų | 112.5 | 62% | 0.622 | 65% | 0.645 | S | S | * | * | trans | -87.7 | 108.2 | 170.9 | -172.4 | 0 | 0 | 0 | 0 | 110.5 | V371 | S369-V371 PolarHBondContact O-N 3.29Š| ||
| 370 | P | 43.8 | Very low | 53 | Low | 98 Ų | 98 | 111.3 Ų | 111.3 | 64% | 0.636 | 64% | 0.64 | S | S | * | * | trans | -62.9 | 129.1 | 167.8 | 27.5 | -33 | 0 | 0 | 0 | 108.3 | F368 V372 | F368-P370 VanDerWaalsContact O-CD 3.23Å; F368-P370 WeakPolarHBondContact O-CD 3.45Å; P370-V372 HydrophobicContact CB-CG2 4.45Å; P370-V372 HydrophobicContact CG-CG2 4.3Å; P370-V372 PolarHBondContact O-N 3.26Å | ||
| 371 | V | 53.1 | Low | 53.9 | Low | 147 Ų | 147 | 108 Ų | 108 | 89% | 0.891 | 63% | 0.628 | S | S | * | * | trans | -74.6 | 77.5 | -179.9 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | S369 D373 | S369-V371 PolarHBondContact O-N 3.29Å; V371-D373 PolarHBondContact O-N 3.43Å | ||
| 372 | V | 58.3 | Low | 54.7 | Low | 85 Ų | 85 | 106.8 Ų | 106.8 | 52% | 0.515 | 62% | 0.624 | S | S | . | * | trans | -71.3 | 98.4 | 173.2 | -165.4 | 0 | 0 | 0 | 0 | 107.6 | P370 V374 T377 | P370-V372 HydrophobicContact CB-CG2 4.45Å; P370-V372 HydrophobicContact CG-CG2 4.3Å; P370-V372 PolarHBondContact O-N 3.26Å; V372-V374 PolarHBondContact O-N 2.87Å; V372-V374 VanDerWaalsContact O-N 3.11Å; V372-T377 HydrophobicContact CG1-CG2 4.3Å; V372-T377 VanDerWaalsContact CG1-OG1 3.31Å; V372-T377 WeakPolarHBondContact CG1-OG1 3.47Å; V372-T377 PolarHBondContact O-OG1 3.11Å | ||
| 373 | D | 45.6 | Very low | 55.4 | Low | 66 Ų | 66 | 105 Ų | 105 | 35% | 0.353 | 62% | 0.618 | S | S | . | * | trans | -40.7 | 115.7 | 173.4 | 167.6 | 16.2 | 0 | 0 | 0 | 110.7 | V371 K375 K376 T377 | V371-D373 PolarHBondContact O-N 3.43Å; D373-K375 PolarHBondContact O-N 2.93Å; D373-K375 PolarHBondContact OD1-N 3.45Å; D373-K376 HydrophobicContact CB-CD 4.5Å; D373-K376 HydrophobicContact CB-CG 4.33Å; D373-K376 WeakPolarHBondContact O-CA 3.36Å; D373-K376 WeakPolarHBondContact O-CB 3.48Å; D373-K376 PolarHBondContact O-N 3.32Å; D373-K376 IonicContact OD2-NZ 2.68Å; D373-K376 PolarHBondContact OD2-NZ 2.85Å; D373-T377 PolarHBondContact O-N 2.87Å; D373-T377 PolarHBondContact O-OG1 2.97Å | ||
| 374 | V | 64.4 | Low | 55.8 | Low | 114 Ų | 114 | 106.6 Ų | 106.6 | 69% | 0.691 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -51.5 | -30.3 | -171.5 | -178.8 | 0 | 0 | 0 | 0 | 112.2 | V372 T377 A378 | V372-V374 PolarHBondContact O-N 2.87Å; V372-V374 VanDerWaalsContact O-N 3.11Å; V374-T377 PolarHBondContact O-N 3.25Å; V374-A378 WeakPolarHBondContact O-CB 3.42Å; V374-A378 PolarHBondContact O-N 3.38Å |
| 375 | K | 55.6 | Low | 55.7 | Low | 172 Ų | 172 | 105.2 Ų | 105.2 | 75% | 0.748 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.3 | -33.5 | 176.7 | -65.5 | -178.2 | 178.2 | 178.8 | 0 | 113 | D373 L379 | D373-K375 PolarHBondContact O-N 2.93Å; D373-K375 PolarHBondContact OD1-N 3.45Å; K375-L379 WeakPolarHBondContact O-CB 3.43Å; K375-L379 PolarHBondContact O-N 3.46Å |
| 376 | K | 60.9 | Low | 55.8 | Low | 130 Ų | 130 | 103.2 Ų | 103.2 | 57% | 0.565 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -76.5 | -39.3 | 174.6 | -60.7 | -171.8 | -174.9 | 72.5 | 0 | 111.5 | D373 L379 A380 | D373-K376 HydrophobicContact CB-CD 4.5Å; D373-K376 HydrophobicContact CB-CG 4.33Å; D373-K376 WeakPolarHBondContact O-CA 3.36Å; D373-K376 WeakPolarHBondContact O-CB 3.48Å; D373-K376 PolarHBondContact O-N 3.32Å; D373-K376 IonicContact OD2-NZ 2.68Å; D373-K376 PolarHBondContact OD2-NZ 2.85Å; K376-L379 PolarHBondContact O-N 3.37Å; K376-A380 WeakPolarHBondContact O-CB 3.34Å; K376-A380 PolarHBondContact O-N 2.83Å |
| 377 | T | 66.6 | Low | 55.7 | Low | 60 Ų | 60 | 108.3 Ų | 108.3 | 37% | 0.368 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.1 | -42.8 | 176.2 | -22.2 | 0 | 0 | 0 | 0 | 111.3 | V372 D373 V374 A380 L381 | V372-T377 HydrophobicContact CG1-CG2 4.3Å; V372-T377 VanDerWaalsContact CG1-OG1 3.31Å; V372-T377 WeakPolarHBondContact CG1-OG1 3.47Å; V372-T377 PolarHBondContact O-OG1 3.11Å; D373-T377 PolarHBondContact O-N 2.87Å; D373-T377 PolarHBondContact O-OG1 2.97Å; V374-T377 PolarHBondContact O-N 3.25Å; T377-A380 PolarHBondContact O-N 2.85Å; T377-L381 PolarHBondContact O-N 3.41Å |
| 378 | A | 62.9 | Low | 55.1 | Low | 55 Ų | 55 | 113.8 Ų | 113.8 | 46% | 0.455 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -68 | -38.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V374 A382 | V374-A378 WeakPolarHBondContact O-CB 3.42Å; V374-A378 PolarHBondContact O-N 3.38Å; A378-A382 VanDerWaalsContact O-CB 3.27Å; A378-A382 WeakPolarHBondContact O-CB 3.4Å; A378-A382 PolarHBondContact O-N 3.31Å |
| 379 | L | 61 | Low | 54.8 | Low | 110 Ų | 110 | 109.7 Ų | 109.7 | 58% | 0.576 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.1 | -43.5 | 173.8 | -176 | 73.6 | 0 | 0 | 0 | 111.5 | K375 K376 A382 I383 | K375-L379 WeakPolarHBondContact O-CB 3.43Å; K375-L379 PolarHBondContact O-N 3.46Å; K376-L379 PolarHBondContact O-N 3.37Å; L379-A382 PolarHBondContact O-N 2.85Å; L379-I383 HydrophobicContact CD1-CD1 4.32Å; L379-I383 HydrophobicContact CG-CD1 3.92Å; L379-I383 WeakPolarHBondContact O-CD1 3.38Å; L379-I383 VanDerWaalsContact O-CG1 3.26Å; L379-I383 WeakPolarHBondContact O-CG1 3.48Å; L379-I383 PolarHBondContact O-N 3.02Å |
| 380 | A | 63.6 | Low | 55 | Low | 55 Ų | 55 | 112 Ų | 112 | 46% | 0.455 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -62.5 | -47.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K376 T377 A382 I383 T384 | K376-A380 WeakPolarHBondContact O-CB 3.34Å; K376-A380 PolarHBondContact O-N 2.83Å; T377-A380 PolarHBondContact O-N 2.85Å; A380-A382 PolarHBondContact O-N 3.28Å; A380-I383 PolarHBondContact O-N 3.4Å; A380-T384 PolarHBondContact O-N 2.75Å; A380-T384 VanDerWaalsContact O-N 3.14Å; A380-T384 PolarHBondContact O-OG1 3.47Å |
| 381 | L | 64.6 | Low | 55.2 | Low | 118 Ų | 118 | 116.4 Ų | 116.4 | 62% | 0.618 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -58.8 | -43.5 | 174.8 | -89.9 | 161.7 | 0 | 0 | 0 | 112.5 | T377 I383 T384 D385 | T377-L381 PolarHBondContact O-N 3.41Å; L381-I383 VanDerWaalsContact C-N 3.29Å; L381-I383 PolarHBondContact O-N 2.95Å; L381-T384 WeakPolarHBondContact CA-OG1 3.21Å; L381-T384 PolarHBondContact O-N 2.81Å; L381-T384 PolarHBondContact O-OG1 3.27Å; L381-D385 WeakPolarHBondContact O-CB 3.43Å; L381-D385 PolarHBondContact O-N 3.38Å |
| 382 | A | 61 | Low | 54.5 | Low | 67 Ų | 67 | 118.1 Ų | 118.1 | 55% | 0.554 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.1 | -23.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A378 L379 A380 | A378-A382 VanDerWaalsContact O-CB 3.27Å; A378-A382 WeakPolarHBondContact O-CB 3.4Å; A378-A382 PolarHBondContact O-N 3.31Å; L379-A382 PolarHBondContact O-N 2.85Å; A380-A382 PolarHBondContact O-N 3.28Å |
| 383 | I | 61.2 | Low | 53.5 | Low | 125 Ų | 125 | 118 Ų | 118 | 64% | 0.641 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -80.1 | -26.2 | 172.8 | -71.1 | 166.2 | 0 | 0 | 0 | 111.3 | L379 A380 L381 | L379-I383 HydrophobicContact CD1-CD1 4.32Å; L379-I383 HydrophobicContact CG-CD1 3.92Å; L379-I383 WeakPolarHBondContact O-CD1 3.38Å; L379-I383 VanDerWaalsContact O-CG1 3.26Å; L379-I383 WeakPolarHBondContact O-CG1 3.48Å; L379-I383 PolarHBondContact O-N 3.02Å; A380-I383 PolarHBondContact O-N 3.4Å; L381-I383 VanDerWaalsContact C-N 3.29Å; L381-I383 PolarHBondContact O-N 2.95Å |
| 384 | T | 60.8 | Low | 53 | Low | 112 Ų | 112 | 119.9 Ų | 119.9 | 69% | 0.687 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -89.2 | -6 | 179.2 | 50.8 | 0 | 0 | 0 | 0 | 115.2 | A380 L381 | A380-T384 PolarHBondContact O-N 2.75Å; A380-T384 VanDerWaalsContact O-N 3.14Å; A380-T384 PolarHBondContact O-OG1 3.47Å; L381-T384 WeakPolarHBondContact CA-OG1 3.21Å; L381-T384 PolarHBondContact O-N 2.81Å; L381-T384 PolarHBondContact O-OG1 3.27Å |
| 385 | D | 49.4 | Very low | 51.9 | Low | 135 Ų | 135 | 121.2 Ų | 121.2 | 72% | 0.722 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -122.3 | 45.5 | -170.7 | -162.6 | 31.9 | 0 | 0 | 0 | 112.4 | L381 | L381-D385 WeakPolarHBondContact O-CB 3.43Å; L381-D385 PolarHBondContact O-N 3.38Å |
| 386 | S | 50.3 | Low | 51 | Low | 99 Ų | 99 | 120 Ų | 120 | 69% | 0.692 | 68% | 0.679 | S | S | * | * | trans | -155 | 144.5 | 171 | -77.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 387 | E | 45 | Very low | 50 | Low | 187 Ų | 187 | 121.5 Ų | 121.5 | 87% | 0.874 | 69% | 0.687 | S | S | * | * | trans | 67.2 | 82.1 | -179.9 | -53.2 | -155.7 | 149.1 | 0 | 0 | 117.3 | ||||
| 388 | L | 39.8 | Very low | 48.9 | Very low | 179 Ų | 179 | 124.2 Ų | 124.2 | 94% | 0.937 | 71% | 0.709 | S | S | * | * | -173.5 | 100 | 110.6 | -101.4 | 166.5 | 0 | 0 | 0 | 113.6 | |||||
| 389 | S | 40.2 | Very low | 47.7 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | trans | -177 | 140.5 | 161 | -177.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 390 | D | 47.7 | Very low | 46.4 | Very low | 139 Ų | 139 | 123.7 Ų | 123.7 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | cis | -168.2 | 87.7 | -19.9 | -95.6 | -54.5 | 0 | 0 | 0 | 108.9 | ||||
| 391 | E | 46.5 | Very low | 44.9 | Very low | 189 Ų | 189 | 131.1 Ų | 131.1 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | trans | -170.6 | 144.2 | -179.1 | 42.1 | -161.8 | -161.1 | 0 | 0 | 112 | ||||
| 392 | E | 39.8 | Very low | 43.4 | Very low | 183 Ų | 183 | 129.9 Ų | 129.9 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | cis | -154.2 | 160.2 | -8.6 | -142.7 | -161.6 | 160.8 | 0 | 0 | 112.1 | ||||
| 393 | A | 36.6 | Very low | 42.5 | Very low | 83 Ų | 83 | 133.7 Ų | 133.7 | 69% | 0.686 | 78% | 0.775 | S | S | * | * | trans | 48.2 | 136.3 | 147.8 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 394 | S | 34.4 | Very low | 41.6 | Very low | 106 Ų | 106 | 133 Ų | 133 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | 115.4 | 107.2 | 153.7 | -150.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 395 | I | 42.7 | Very low | 40.4 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 73% | 0.728 | 79% | 0.79 | S | S | * | * | 63.6 | 119 | 52.2 | -49.3 | 166.7 | 0 | 0 | 0 | 109.3 | |||||
| 396 | L | 36.7 | Very low | 39.6 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | cis | -109.9 | -167.2 | 8.4 | -60.4 | 163 | 0 | 0 | 0 | 110.5 | ||||
| 397 | E | 40.3 | Very low | 39 | Very low | 161 Ų | 161 | 137.2 Ų | 137.2 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | cis | -158.8 | 149.3 | 10.3 | -156.3 | 165.1 | 129.6 | 0 | 0 | 111.7 | ||||
| 398 | S | 43.5 | Very low | 38.6 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | 37.8 | 121.3 | 161.8 | -61.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 399 | G | 37.6 | Very low | 39.2 | Very low | 83 Ų | 83 | 131.5 Ų | 131.5 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | cis | 159.4 | 172.8 | 8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 400 | G | 33.7 | Very low | 38.9 | Very low | 72 Ų | 72 | 135.1 Ų | 135.1 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | cis | 167.6 | 141 | -4.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 401 | F | 31.3 | Very low | 38.2 | Very low | 211 Ų | 211 | 134.6 Ų | 134.6 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | trans | 66.7 | 139.7 | 179.8 | -108.8 | -122.1 | 0 | 0 | 0 | 116.6 | ||||
| 402 | S | 33.3 | Very low | 37.7 | Very low | 91 Ų | 91 | 131.1 Ų | 131.1 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | cis | -166.2 | 147.2 | -14.4 | 47.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 403 | V | 41.7 | Very low | 37.4 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 89% | 0.891 | 77% | 0.768 | S | S | * | * | trans | -113.2 | 123.1 | 166.5 | 172.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 404 | S | 42 | Very low | 37.2 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | -178.4 | 156.9 | 159.5 | -86.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 405 | R | 36.4 | Very low | 37.3 | Very low | 230 Ų | 230 | 130.5 Ų | 130.5 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | cis | -177.4 | 120 | -22.9 | 174.1 | -179.3 | 179.8 | 113.5 | -1.1 | 109.1 | ||||
| 406 | A | 32.5 | Very low | 37.4 | Very low | 84 Ų | 84 | 132.4 Ų | 132.4 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | trans | -161.9 | 111.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 407 | T | 36.9 | Very low | 37.2 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 73% | 0.73 | 78% | 0.779 | S | S | * | * | 57.5 | 122.2 | 85.6 | 61.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 408 | T | 37.3 | Very low | 37.1 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | cis | -162.6 | 169.4 | -3.3 | 4.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 409 | P | 52.3 | Low | 36.9 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | trans | -104.3 | -162.4 | -160.4 | 42.3 | -39 | 0 | 0 | 0 | 115.8 | ||||
| 410 | Q | 33.9 | Very low | 36.9 | Very low | 175 Ų | 175 | 135.7 Ų | 135.7 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | 104 | 145.4 | 171.4 | -61.2 | -168.6 | -17.9 | 0 | 0 | 115.3 | ||||
| 411 | L | 32.2 | Very low | 36.7 | Very low | 128 Ų | 128 | 140.3 Ų | 140.3 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | cis | -151.1 | 152.5 | 5.1 | -150.3 | 72.5 | 0 | 0 | 0 | 111.9 | ||||
| 412 | T | 35.6 | Very low | 36.7 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | trans | 22.9 | 167.9 | 146.3 | 56 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 413 | D | 34.6 | Very low | 36.7 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | cis | 166.9 | 175.7 | -24.1 | -167.7 | 7.6 | 0 | 0 | 0 | 107.7 | ||||
| 414 | V | 31.9 | Very low | 36.4 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | trans | 76.3 | 98.6 | 158.5 | -173.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 415 | S | 37.4 | Very low | 35.9 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | 67.1 | 158.2 | 127.8 | 91.4 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 416 | E | 43.7 | Very low | 35.6 | Very low | 181 Ų | 181 | 134.6 Ų | 134.6 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | -81.6 | 159.2 | 167.9 | -55.9 | 136.8 | 106.5 | 0 | 0 | 112.3 | ||||
| 417 | D | 33.8 | Very low | 36.1 | Very low | 166 Ų | 166 | 136 Ų | 136 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | trans | -163.7 | 178.4 | 133.6 | -142.7 | -32.1 | 0 | 0 | 0 | 110.7 | ||||
| 418 | L | 38.3 | Very low | 35.7 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -125 | 153 | -160.7 | -158.1 | 71.8 | 0 | 0 | 0 | 115.6 | ||||
| 419 | D | 39.5 | Very low | 35.4 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | trans | 99.5 | 143.1 | 138.5 | -134.7 | 6.2 | 0 | 0 | 0 | 123.3 | ||||
| 420 | Q | 36 | Very low | 34.3 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | 76.7 | 122.1 | 152.9 | -81.9 | 173.2 | 80.4 | 0 | 0 | 126.1 | ||||
| 421 | Q | 29.8 | Very low | 34 | Very low | 168 Ų | 168 | 141.6 Ų | 141.6 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | 73.7 | 141 | 146.7 | -58.7 | 174.9 | 42.2 | 0 | 0 | 117.7 | ||||
| 422 | S | 31.1 | Very low | 33.8 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | cis | -157.3 | 173.5 | 10.7 | 48.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 423 | L | 33 | Very low | 33.5 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -78.7 | 175.3 | 175.1 | -80.1 | 171.8 | 0 | 0 | 0 | 112.7 | ||||
| 424 | P | 36.4 | Very low | 33.1 | Very low | 110 Ų | 110 | 146.6 Ų | 146.6 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | cis | -152.5 | 174.4 | 29.9 | 44.3 | -22.4 | 0 | 0 | 0 | 121.8 | ||||
| 425 | S | 30.7 | Very low | 33 | Very low | 96 Ų | 96 | 148.8 Ų | 148.8 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | trans | 54.9 | 121 | 143.9 | 61.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 426 | E | 31.4 | Very low | 32.6 | Very low | 185 Ų | 185 | 147 Ų | 147 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | 27 | 157 | 113.2 | -66 | -168.9 | 124.7 | 0 | 0 | 121.2 | |||||
| 427 | P | 41.4 | Very low | 31.8 | Very low | 113 Ų | 113 | 148 Ų | 148 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | cis | -150.8 | -170.3 | 33.1 | 33.8 | -6.8 | 0 | 0 | 0 | 119.4 | ||||
| 428 | E | 30.4 | Very low | 31.5 | Very low | 188 Ų | 188 | 143.5 Ų | 143.5 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | 91.9 | 126.6 | 153.7 | -52.2 | -157.6 | 132.7 | 0 | 0 | 122.4 | ||||
| 429 | E | 30.3 | Very low | 31.1 | Very low | 186 Ų | 186 | 145.2 Ų | 145.2 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -97.1 | 160.3 | 165.3 | -53 | 178.7 | 106.9 | 0 | 0 | 110.6 | ||||
| 430 | T | 28.6 | Very low | 30.6 | Very low | 130 Ų | 130 | 147.7 Ų | 147.7 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | trans | -170.1 | 107.9 | 145.4 | 18 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 431 | L | 27.9 | Very low | 30.2 | Very low | 155 Ų | 155 | 145 Ų | 145 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | 78.3 | 105.4 | 89.2 | -93.2 | 168.8 | 0 | 0 | 0 | 116.1 | |||||
| 432 | S | 28.8 | Very low | 30.1 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -151.4 | 127 | 145.9 | -78 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 433 | R | 27.8 | Very low | 30 | Very low | 228 Ų | 228 | 147.1 Ų | 147.1 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | cis | -169.4 | 135.3 | 21.2 | 159.3 | -160 | -174.3 | 123 | -0.8 | 108.5 | ||||
| 434 | D | 27.1 | Very low | 29.9 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | -150.6 | 169.5 | 137.1 | -145.4 | 3.9 | 0 | 0 | 0 | 113.6 | ||||
| 435 | L | 30.5 | Very low | 30.3 | Very low | 154 Ų | 154 | 144.1 Ų | 144.1 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | trans | -19.3 | 141.4 | -179.2 | -72.7 | 153.3 | 0 | 0 | 0 | 119.7 | ||||
| 436 | G | 27.9 | Very low | 31.7 | Very low | 70 Ų | 70 | 144.4 Ų | 144.4 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | -86.8 | 178.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 437 | E | 27.2 | Very low | 31.7 | Very low | 204 Ų | 204 | 143.2 Ų | 143.2 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | trans | -75.6 | 164.8 | -165.3 | -61.3 | 140.2 | 98.4 | 0 | 0 | 116.4 | ||||
| 438 | G | 27.8 | Very low | 31 | Very low | 70 Ų | 70 | 143.7 Ų | 143.7 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | -177.6 | 110.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 439 | E | 28.6 | Very low | 30.9 | Very low | 187 Ų | 187 | 140.8 Ų | 140.8 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | 29.2 | 140.1 | 149 | -78.5 | 152.5 | 46.7 | 0 | 0 | 121.5 | ||||
| 440 | E | 29.1 | Very low | 30.9 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | cis | -163.9 | -177.2 | -7.7 | -142.1 | -169.1 | 160.4 | 0 | 0 | 110 | ||||
| 441 | A | 27.9 | Very low | 30.8 | Very low | 80 Ų | 80 | 137.5 Ų | 137.5 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | trans | 11.4 | 141.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 442 | E | 27.3 | Very low | 30.8 | Very low | 180 Ų | 180 | 141.7 Ų | 141.7 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | -174.2 | 161.5 | 54.6 | -169.1 | 158.8 | 130 | 0 | 0 | 113.6 | |||||
| 443 | L | 30.1 | Very low | 31.6 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -38.1 | 135.5 | -179.1 | -63.3 | 157.5 | 0 | 0 | 0 | 121.8 | ||||
| 444 | A | 30.5 | Very low | 31.6 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | 70.7 | 152.3 | 126.3 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 445 | P | 45.4 | Very low | 31.5 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | trans | -105.1 | -158.6 | 173.6 | 46.5 | -38.3 | 0 | 0 | 0 | 110.6 | ||||
| 446 | P | 59.7 | Low | 31.4 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | cis | -126.2 | -165 | -13.3 | 35.6 | -15.2 | 0 | 0 | 0 | 113 | ||||
| 447 | E | 31.2 | Very low | 31.4 | Very low | 159 Ų | 159 | 137 Ų | 137 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | 161.3 | 135.4 | 122.4 | -82.9 | -66.4 | 71.1 | 0 | 0 | 115.6 | |||||
| 448 | D | 26.3 | Very low | 31.4 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 66% | 0.658 | 77% | 0.768 | S | S | * | * | trans | 54.3 | 137.7 | 142.1 | -104 | 2.7 | 0 | 0 | 0 | 128.7 | ||||
| 449 | L | 29.2 | Very low | 31.4 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 67% | 0.665 | 77% | 0.771 | S | S | * | * | trans | 63.1 | 117.7 | 141.8 | -63.5 | 167.2 | 0 | 0 | 0 | 125 | ||||
| 450 | L | 29.8 | Very low | 31.4 | Very low | 164 Ų | 164 | 138 Ų | 138 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | trans | 53.7 | 107.6 | 130.8 | -60.4 | 175.9 | 0 | 0 | 0 | 120.8 | ||||
| 451 | G | 26.7 | Very low | 31.6 | Very low | 84 Ų | 84 | 137.1 Ų | 137.1 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | trans | -165 | 120.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 452 | R | 26.8 | Very low | 31.6 | Very low | 242 Ų | 242 | 140.1 Ų | 140.1 | 91% | 0.913 | 77% | 0.768 | S | S | * | * | trans | -162.6 | 149.3 | 178.7 | 170.6 | 176.9 | -79.5 | -165.9 | -1.4 | 108.2 | ||||
| 453 | P | 46 | Very low | 31.8 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | cis | -128.7 | -165.2 | 0.2 | 37.8 | -18.8 | 0 | 0 | 0 | 115.1 | ||||
| 454 | Q | 28.3 | Very low | 32 | Very low | 179 Ų | 179 | 137.3 Ų | 137.3 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | 100.1 | 119.6 | 138.8 | -89.7 | 177.4 | 40.5 | 0 | 0 | 122.9 | ||||
| 455 | A | 26 | Very low | 32.4 | Very low | 78 Ų | 78 | 140.4 Ų | 140.4 | 65% | 0.645 | 76% | 0.759 | S | S | * | * | 94.5 | 121.4 | 125 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 456 | L | 27.9 | Very low | 32 | Very low | 166 Ų | 166 | 144 Ų | 144 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | 60.7 | 130.5 | 142.9 | -63.2 | 168.4 | 0 | 0 | 0 | 118.8 | ||||
| 457 | S | 27.6 | Very low | 31.3 | Very low | 95 Ų | 95 | 148.4 Ų | 148.4 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | cis | 169.8 | 155.3 | 16.1 | 49.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 458 | R | 28.1 | Very low | 31.8 | Very low | 232 Ų | 232 | 149.6 Ų | 149.6 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | trans | 63.1 | 138.8 | 156.8 | -91.3 | -178.4 | 166.9 | 122.5 | 0.8 | 117.4 | ||||
| 459 | Q | 27.6 | Very low | 32.5 | Very low | 165 Ų | 165 | 148.8 Ų | 148.8 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | cis | -168.3 | 164 | 17.6 | 171.8 | 167.6 | -39.5 | 0 | 0 | 111.2 | ||||
| 460 | A | 27.8 | Very low | 33.1 | Very low | 87 Ų | 87 | 147.5 Ų | 147.5 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | trans | 74 | 157 | 167.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 461 | L | 33 | Very low | 33.9 | Very low | 156 Ų | 156 | 143 Ų | 143 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | cis | -175 | 109.2 | -45.3 | -123.3 | 172.3 | 0 | 0 | 0 | 109.3 | ||||
| 462 | D | 27.8 | Very low | 34.8 | Very low | 144 Ų | 144 | 141.8 Ų | 141.8 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | trans | -176.3 | 135.4 | 140 | -101.9 | -23.1 | 0 | 0 | 0 | 106.7 | ||||
| 463 | S | 32.1 | Very low | 35.6 | Very low | 83 Ų | 83 | 135.6 Ų | 135.6 | 58% | 0.58 | 72% | 0.723 | S | S | * | * | 75.2 | 125 | 65.4 | -48.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 464 | E | 35.2 | Very low | 35.6 | Very low | 188 Ų | 188 | 135.6 Ų | 135.6 | 88% | 0.879 | 72% | 0.715 | S | S | * | * | cis | -152.4 | 177.5 | 4.7 | -121.3 | 170.2 | 154.2 | 0 | 0 | 112.5 | ||||
| 465 | E | 37.4 | Very low | 36.6 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | trans | -79.1 | 116.5 | -169.5 | -50.6 | 170.9 | 134.9 | 0 | 0 | 114 | ||||
| 466 | E | 37.1 | Very low | 37.4 | Very low | 194 Ų | 194 | 133.7 Ų | 133.7 | 91% | 0.907 | 70% | 0.703 | S | S | * | * | trans | -164.7 | 69.3 | 154.3 | -134.1 | 173.8 | -146.3 | 0 | 0 | 114.8 | ||||
| 467 | E | 45.3 | Very low | 38.2 | Very low | 194 Ų | 194 | 132.2 Ų | 132.2 | 91% | 0.907 | 70% | 0.695 | S | S | * | * | trans | -140.1 | 80.2 | -178.7 | -166.4 | 174.8 | -142.5 | 0 | 0 | 113.9 | ||||
| 468 | E | 41.9 | Very low | 38.8 | Very low | 184 Ų | 184 | 136 Ų | 136 | 86% | 0.86 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -154.3 | -31.7 | 158.9 | -134.3 | 177.6 | 167.9 | 0 | 0 | 114.4 | ||
| 469 | D | 40 | Very low | 39.3 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 57% | 0.572 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -7 | -177.1 | -179.4 | 51.1 | 0 | 0 | 0 | 114.8 | K473 | D469-K473 WeakPolarHBondContact O-CD 3.17Å; D469-K473 WeakPolarHBondContact OD1-CE 3.49Å; D469-K473 IonicContact OD1-NZ 3.49Å; D469-K473 PolarHBondContact OD1-NZ 3.11Å; D469-K473 VanDerWaalsContact OD1-NZ 3.17Å; D469-K473 IonicContact OD2-NZ 3.74Å; D469-K473 PolarHBondContact OD2-NZ 3.26Å |
| 470 | V | 43.4 | Very low | 39.9 | Very low | 99 Ų | 99 | 129 Ų | 129 | 60% | 0.6 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -42.3 | -179.9 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | A472 K473 E474 | V470-A472 VanDerWaalsContact C-N 3.31Å; V470-A472 PolarHBondContact O-N 3.37Å; V470-K473 PolarHBondContact O-N 3.37Å; V470-E474 PolarHBondContact O-N 2.94Å |
| 471 | A | 45.7 | Very low | 39.9 | Very low | 69 Ų | 69 | 130.4 Ų | 130.4 | 57% | 0.57 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -62.5 | -33.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K473 T475 | A471-K473 VanDerWaalsContact C-N 3.3Å; A471-K473 PolarHBondContact O-N 3.49Å; A471-T475 PolarHBondContact O-N 2.86Å; A471-T475 PolarHBondContact O-OG1 2.76Å |
| 472 | A | 45.3 | Very low | 40 | Very low | 59 Ų | 59 | 128.8 Ų | 128.8 | 49% | 0.488 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -70.7 | -24 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V470 T475 | V470-A472 VanDerWaalsContact C-N 3.31Å; V470-A472 PolarHBondContact O-N 3.37Å; A472-T475 PolarHBondContact O-OG1 2.74Å |
| 473 | K | 44.1 | Very low | 40.2 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 49% | 0.487 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -87.7 | -37.6 | -178.7 | -70 | 168.4 | -175.2 | 166.4 | 0 | 111.8 | D469 V470 A471 T475 L476 L477 | D469-K473 WeakPolarHBondContact O-CD 3.17Å; D469-K473 WeakPolarHBondContact OD1-CE 3.49Å; D469-K473 IonicContact OD1-NZ 3.49Å; D469-K473 PolarHBondContact OD1-NZ 3.11Å; D469-K473 VanDerWaalsContact OD1-NZ 3.17Å; D469-K473 IonicContact OD2-NZ 3.74Å; D469-K473 PolarHBondContact OD2-NZ 3.26Å; V470-K473 PolarHBondContact O-N 3.37Å; A471-K473 VanDerWaalsContact C-N 3.3Å; A471-K473 PolarHBondContact O-N 3.49Å; K473-T475 VanDerWaalsContact C-N 3.29Å; K473-T475 PolarHBondContact O-N 3.22Å; K473-L476 PolarHBondContact O-N 2.68Å; K473-L477 PolarHBondContact O-N 3.26Å |
| 474 | E | 46.8 | Very low | 40.3 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 47% | 0.467 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -69.3 | -26.8 | 177.6 | -147.9 | -162.1 | 136.7 | 0 | 0 | 113.1 | V470 R478 | V470-E474 PolarHBondContact O-N 2.94Å; E474-R478 PolarHBondContact O-NH1 2.96Å; E474-R478 IonicContact OE1-CZ 3.84Å; E474-R478 IonicContact OE1-NH1 3.26Å; E474-R478 PolarHBondContact OE1-NH1 3.42Å; E474-R478 IonicContact OE1-NH2 3.5Å; E474-R478 PolarHBondContact OE1-NH2 2.77Å |
| 475 | T | 48.8 | Very low | 40 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 55% | 0.552 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -76.1 | -35.4 | 175.4 | 44.2 | 0 | 0 | 0 | 0 | 113 | A471 A472 K473 | A471-T475 PolarHBondContact O-N 2.86Å; A471-T475 PolarHBondContact O-OG1 2.76Å; A472-T475 PolarHBondContact O-OG1 2.74Å; K473-T475 VanDerWaalsContact C-N 3.29Å; K473-T475 PolarHBondContact O-N 3.22Å |
| 476 | L | 43.4 | Very low | 39.9 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 67% | 0.665 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -70 | -37.9 | 174.5 | -94 | 167.1 | 0 | 0 | 0 | 112.9 | K473 R478 L479 | K473-L476 PolarHBondContact O-N 2.68Å; L476-R478 PolarHBondContact O-N 3.22Å; L476-L479 PolarHBondContact O-N 3.43Å |
| 477 | L | 42.8 | Very low | 39.5 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 71% | 0.707 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -16 | 179.6 | -75.5 | 168.1 | 0 | 0 | 0 | 114.3 | K473 | K473-L477 PolarHBondContact O-N 3.26Š|
| 478 | R | 41.1 | Very low | 38.9 | Very low | 173 Ų | 173 | 124.6 Ų | 124.6 | 65% | 0.653 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -2.9 | 176.1 | -75.8 | -164.9 | 178.7 | 82.6 | -1.6 | 115.1 | E474 L476 | E474-R478 PolarHBondContact O-NH1 2.96Å; E474-R478 IonicContact OE1-CZ 3.84Å; E474-R478 IonicContact OE1-NH1 3.26Å; E474-R478 PolarHBondContact OE1-NH1 3.42Å; E474-R478 IonicContact OE1-NH2 3.5Å; E474-R478 PolarHBondContact OE1-NH2 2.77Å; L476-R478 PolarHBondContact O-N 3.22Å |
| 479 | L | 37.8 | Very low | 38.5 | Very low | 156 Ų | 156 | 123.6 Ų | 123.6 | 82% | 0.817 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -108.8 | 8.2 | -177.5 | -68.2 | 176.5 | 0 | 0 | 0 | 114.7 | L476 | L476-L479 PolarHBondContact O-N 3.43Š|
| 480 | S | 40.4 | Very low | 38.1 | Very low | 95 Ų | 95 | 128.2 Ų | 128.2 | 66% | 0.664 | 69% | 0.689 | S | S | * | * | trans | -140.7 | 91 | 177.3 | 63.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 481 | S | 29 | Very low | 37.6 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | trans | -142.8 | 127.7 | 164.6 | -168.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 482 | P | 35.4 | Very low | 37.1 | Very low | 122 Ų | 122 | 130.2 Ų | 130.2 | 79% | 0.792 | 70% | 0.7 | S | S | * | * | trans | -82.7 | 150.8 | -175.8 | -11.4 | 29.1 | 0 | 0 | 0 | 114.1 | ||||
| 483 | L | 31.6 | Very low | 36.4 | Very low | 164 Ų | 164 | 132.8 Ų | 132.8 | 86% | 0.859 | 72% | 0.722 | S | S | * | * | trans | -67.9 | 138.9 | 168 | -79.5 | 155.4 | 0 | 0 | 0 | 111.6 | F485 | L483-F485 HydrophobicContact CD2-CE2 4.26Š| ||
| 484 | H | 33.7 | Very low | 35.7 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 73% | 0.731 | 74% | 0.737 | S | S | * | * | trans | -138.8 | 116.9 | 168.8 | 174.8 | -81.7 | 0 | 0 | 0 | 109.7 | ||||
| 485 | F | 29.4 | Very low | 34.9 | Very low | 187 Ų | 187 | 132 Ų | 132 | 82% | 0.82 | 75% | 0.754 | S | S | * | * | trans | -117.1 | 125.8 | 173.9 | -94.7 | -87.5 | 0 | 0 | 0 | 109.7 | L483 | L483-F485 HydrophobicContact CD2-CE2 4.26Š| ||
| 486 | V | 34.5 | Very low | 34.7 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | trans | -132.4 | 131.6 | 162.3 | 173.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 487 | N | 28.5 | Very low | 34.8 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 65% | 0.647 | 76% | 0.764 | S | S | * | * | trans | -49.4 | 142.5 | -174.8 | -175.6 | 14.7 | 0 | 0 | 0 | 115.4 | H489 | N487-H489 PolarHBondContact ND2-CD2 3.48Å; N487-H489 PolarHBondContact ND2-NE2 3.1Å | ||
| 488 | T | 33.7 | Very low | 34.1 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -113 | 115.4 | 170.6 | 52.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 489 | H | 34 | Very low | 33.4 | Very low | 164 Ų | 164 | 128.2 Ų | 128.2 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -101.7 | 127.5 | 163.8 | -78.9 | -82.8 | 0 | 0 | 0 | 110.5 | N487 | N487-H489 PolarHBondContact ND2-CD2 3.48Å; N487-H489 PolarHBondContact ND2-NE2 3.1Å | ||
| 490 | F | 31.7 | Very low | 33 | Very low | 204 Ų | 204 | 127.8 Ų | 127.8 | 90% | 0.895 | 77% | 0.773 | S | S | * | * | trans | -75.2 | 147.5 | 177.1 | -176 | -95.5 | 0 | 0 | 0 | 111.2 | ||||
| 491 | N | 32.9 | Very low | 32.3 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -121.5 | 126.1 | -177.7 | -162.6 | 17.6 | 0 | 0 | 0 | 111 | ||||
| 492 | G | 34 | Very low | 32.2 | Very low | 60 Ų | 60 | 132.6 Ų | 132.6 | 62% | 0.619 | 78% | 0.782 | S | S | * | * | trans | -77.3 | 144.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 493 | A | 31 | Very low | 31.8 | Very low | 113 Ų | 113 | 132 Ų | 132 | 93% | 0.934 | 78% | 0.781 | S | S | * | * | trans | -85.4 | 145.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 494 | G | 29.2 | Very low | 32.5 | Very low | 79 Ų | 79 | 130.1 Ų | 130.1 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | -172.6 | 145.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 495 | S | 29.5 | Very low | 32.2 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -153.8 | 178.2 | -175.3 | 69.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 496 | P | 44.3 | Very low | 32.2 | Very low | 115 Ų | 115 | 121 Ų | 121 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | cis | -115.8 | -134.8 | -48.1 | 40.1 | -24.6 | 0 | 0 | 0 | 106.9 | ||||
| 497 | P | 46.1 | Very low | 32.6 | Very low | 106 Ų | 106 | 121.4 Ų | 121.4 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | cis | -124.4 | 156.8 | -38.1 | 37.8 | -24.1 | 0 | 0 | 0 | 113.9 | ||||
| 498 | D | 28.8 | Very low | 32.5 | Very low | 170 Ų | 170 | 120.8 Ų | 120.8 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | 172 | 159.2 | 140 | -103.8 | -27.2 | 0 | 0 | 0 | 107.7 | ||||
| 499 | G | 26.6 | Very low | 32.2 | Very low | 55 Ų | 55 | 122.4 Ų | 122.4 | 57% | 0.567 | 78% | 0.783 | S | S | * | * | cis | 167 | 166.1 | 0.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 500 | V | 29 | Very low | 31.8 | Very low | 147 Ų | 147 | 119.5 Ų | 119.5 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | trans | 68.3 | 94.7 | 169.5 | -173.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 501 | K | 25.2 | Very low | 31.6 | Very low | 190 Ų | 190 | 117.7 Ų | 117.7 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -27 | 147 | 144.1 | -67.2 | 166.8 | 169.4 | 171.1 | 0 | 113.8 | ||||
| 502 | C | 26.3 | Very low | 31.5 | Very low | 124 Ų | 124 | 115.8 Ų | 115.8 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | -163.4 | 152.7 | 66.7 | -106.8 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 503 | S | 28.3 | Very low | 32 | Very low | 110 Ų | 110 | 118.2 Ų | 118.2 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -98 | -168.7 | 158.3 | -143.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 504 | P | 45.3 | Very low | 31.9 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | cis | -131.8 | -175.4 | -12 | 40.6 | -23.4 | 0 | 0 | 0 | 113.7 | ||||
| 505 | G | 27.9 | Very low | 31.8 | Very low | 80 Ų | 80 | 122.4 Ų | 122.4 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | 168.9 | 90 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 506 | G | 29.7 | Very low | 31.6 | Very low | 74 Ų | 74 | 123 Ų | 123 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | trans | -109.3 | -153.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 507 | P | 41.8 | Very low | 30.7 | Very low | 120 Ų | 120 | 123.4 Ų | 123.4 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | cis | -142.2 | -161.1 | -3.6 | 42.8 | -23.4 | 0 | 0 | 0 | 113.8 | ||||
| 508 | V | 27.8 | Very low | 29.7 | Very low | 109 Ų | 109 | 122.2 Ų | 122.2 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | trans | 77.5 | 117.8 | 149.8 | 162 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 509 | E | 26.7 | Very low | 29.6 | Very low | 161 Ų | 161 | 117.4 Ų | 117.4 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | 39.4 | 153.4 | 130.5 | -43.6 | 175 | 90.9 | 0 | 0 | 120.8 | ||||
| 510 | T | 26.3 | Very low | 29.8 | Very low | 104 Ų | 104 | 122.7 Ų | 122.7 | 64% | 0.638 | 78% | 0.782 | S | S | * | * | cis | -163.5 | 153.9 | 25.1 | -15.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 511 | L | 28 | Very low | 30.1 | Very low | 165 Ų | 165 | 121.4 Ų | 121.4 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | 51.6 | 143.1 | 149.2 | -66.3 | 169.4 | 0 | 0 | 0 | 123.3 | ||||
| 512 | S | 30.3 | Very low | 30.2 | Very low | 109 Ų | 109 | 117.2 Ų | 117.2 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -78.3 | -175.4 | 167.7 | -38.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 513 | P | 43.5 | Very low | 30.7 | Very low | 111 Ų | 111 | 119.1 Ų | 119.1 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | cis | -148.9 | -179.5 | 16.1 | 44.9 | -23.7 | 0 | 0 | 0 | 119.8 | ||||
| 514 | E | 28.5 | Very low | 31.8 | Very low | 169 Ų | 169 | 119.1 Ų | 119.1 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | 65.3 | 117.1 | 142.5 | -85 | -153.9 | 72.2 | 0 | 0 | 125.4 | ||||
| 515 | T | 27.9 | Very low | 31 | Very low | 111 Ų | 111 | 118.1 Ų | 118.1 | 68% | 0.681 | 77% | 0.77 | S | S | * | * | 88.3 | 151.3 | 119.1 | -55.9 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 516 | V | 25.9 | Very low | 31 | Very low | 128 Ų | 128 | 120.2 Ų | 120.2 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | 93.8 | 93.9 | 173.1 | -166.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 517 | S | 25.5 | Very low | 31 | Very low | 124 Ų | 124 | 123.9 Ų | 123.9 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | 28 | 125.4 | 128 | -159.2 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 518 | G | 24.9 | Very low | 30.4 | Very low | 81 Ų | 81 | 123.1 Ų | 123.1 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | trans | 175.1 | 140.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 519 | G | 27.2 | Very low | 31.3 | Very low | 70 Ų | 70 | 123.6 Ų | 123.6 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | -136.2 | 178.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 520 | L | 30.6 | Very low | 32.5 | Very low | 165 Ų | 165 | 120.8 Ų | 120.8 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | -137.6 | 116.7 | -179.6 | -66.8 | 174.8 | 0 | 0 | 0 | 108.3 | ||||
| 521 | T | 34.2 | Very low | 32.6 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | 83.2 | 124.6 | 58.6 | 62.6 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 522 | A | 28.2 | Very low | 32.5 | Very low | 101 Ų | 101 | 120.2 Ų | 120.2 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | -142 | 145.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 523 | L | 36.3 | Very low | 32.4 | Very low | 165 Ų | 165 | 122.6 Ų | 122.6 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | -70.1 | -178.1 | -159.7 | -105 | 60.7 | 0 | 0 | 0 | 117.4 | ||||
| 524 | P | 51.1 | Low | 31.7 | Very low | 109 Ų | 109 | 122 Ų | 122 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | trans | -137.4 | -148.9 | -137.3 | 45.6 | -24 | 0 | 0 | 0 | 115.1 | ||||
| 525 | S | 29.1 | Very low | 31.6 | Very low | 104 Ų | 104 | 117.5 Ų | 117.5 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 96 | 147.6 | 172.2 | -36.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 526 | T | 27.8 | Very low | 31.7 | Very low | 123 Ų | 123 | 118.2 Ų | 118.2 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | cis | -154.9 | 138 | 17.8 | -28.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 527 | L | 29.5 | Very low | 31.9 | Very low | 151 Ų | 151 | 119.3 Ų | 119.3 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | 44.7 | 96.1 | 154 | -66.4 | 168.3 | 0 | 0 | 0 | 123.1 | ||||
| 528 | S | 29.8 | Very low | 32.7 | Very low | 105 Ų | 105 | 119.1 Ų | 119.1 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | 28.5 | 161.7 | 89.5 | -50.4 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 529 | P | 45.6 | Very low | 33.2 | Very low | 118 Ų | 118 | 119.3 Ų | 119.3 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | cis | -141.4 | -133.6 | -20.4 | 31.8 | -3.8 | 0 | 0 | 0 | 114.7 | ||||
| 530 | P | 52.9 | Low | 33.7 | Very low | 102 Ų | 102 | 122 Ų | 122 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | -133.4 | -161.6 | -92.7 | 42.7 | -23 | 0 | 0 | 0 | 117.5 | |||||
| 531 | L | 26.9 | Very low | 33.9 | Very low | 156 Ų | 156 | 119.2 Ų | 119.2 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | trans | 93.1 | 141.9 | 167.9 | -50.4 | -174.9 | 0 | 0 | 0 | 116.4 | ||||
| 532 | C | 26.6 | Very low | 34.8 | Very low | 102 Ų | 102 | 119.2 Ų | 119.2 | 69% | 0.689 | 78% | 0.775 | S | S | * | * | cis | -153.5 | 157.4 | 0.3 | -137.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 533 | L | 28.1 | Very low | 34.8 | Very low | 158 Ų | 158 | 118.6 Ų | 118.6 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | 7.1 | 136 | 157.7 | -82.9 | 160.3 | 0 | 0 | 0 | 124.8 | ||||
| 534 | A | 28.1 | Very low | 34.4 | Very low | 100 Ų | 100 | 117.9 Ų | 117.9 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | trans | 77.8 | 138.4 | 132.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 535 | G | 27 | Very low | 33.5 | Very low | 74 Ų | 74 | 119.8 Ų | 119.8 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | trans | 150.1 | 80.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 536 | S | 30.2 | Very low | 34.2 | Very low | 125 Ų | 125 | 119.7 Ų | 119.7 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | trans | 31.3 | 138.7 | 149.5 | -49.9 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 537 | D | 30.7 | Very low | 35 | Very low | 152 Ų | 152 | 118.6 Ų | 118.6 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | trans | -47.8 | 163.9 | 149.9 | -93.5 | -60.5 | 0 | 0 | 0 | 114.2 | ||||
| 538 | P | 42.5 | Very low | 34.9 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | cis | -144.1 | -177.6 | 30.9 | 43.1 | -23.8 | 0 | 0 | 0 | 118.1 | ||||
| 539 | A | 34.1 | Very low | 35.5 | Very low | 85 Ų | 85 | 118.4 Ų | 118.4 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | trans | -74.1 | 159.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 540 | P | 39 | Very low | 34.7 | Very low | 127 Ų | 127 | 120.6 Ų | 120.6 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | -153.5 | -174.9 | 75.7 | 41.8 | -21.4 | 0 | 0 | 0 | 117.2 | |||||
| 541 | S | 34.2 | Very low | 33.4 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | -76 | -169.5 | 164.7 | -13.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 542 | P | 52.4 | Low | 33.6 | Very low | 122 Ų | 122 | 120.1 Ų | 120.1 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | cis | -121.1 | -126.8 | -2.5 | 24.3 | 3.1 | 0 | 0 | 0 | 111.8 | ||||
| 543 | S | 28.3 | Very low | 34 | Very low | 87 Ų | 87 | 121.7 Ų | 121.7 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | cis | -174.3 | 174 | 3.6 | -145.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 544 | I | 28.6 | Very low | 34.2 | Very low | 150 Ų | 150 | 123 Ų | 123 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 71.5 | 141.5 | 149.7 | -73.2 | 155.6 | 0 | 0 | 0 | 119.3 | ||||
| 545 | L | 31.9 | Very low | 34.8 | Very low | 149 Ų | 149 | 122.6 Ų | 122.6 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | cis | -161.9 | -149.5 | -29.3 | -128.7 | 152.4 | 0 | 0 | 0 | 109.4 | ||||
| 546 | P | 44.4 | Very low | 35 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | trans | -119.9 | -145.8 | -143.8 | 50.4 | -32.9 | 0 | 0 | 0 | 113.9 | ||||
| 547 | P | 43.2 | Very low | 35.3 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | cis | -139.3 | 168.1 | -20.2 | 44 | -27.2 | 0 | 0 | 0 | 117.5 | ||||
| 548 | I | 29.3 | Very low | 35.4 | Very low | 156 Ų | 156 | 123.1 Ų | 123.1 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | trans | 52.7 | 146.6 | 132.3 | -72.2 | 171.2 | 0 | 0 | 0 | 122.3 | ||||
| 549 | P | 42.3 | Very low | 35.4 | Very low | 96 Ų | 96 | 123 Ų | 123 | 62% | 0.623 | 74% | 0.743 | S | S | * | * | cis | -143.3 | -144 | -24.9 | 42.9 | -19.7 | 0 | 0 | 0 | 114.3 | ||||
| 550 | Q | 28.9 | Very low | 35.5 | Very low | 163 Ų | 163 | 127 Ų | 127 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | 78.7 | 145.5 | 172.2 | -46.9 | -56.1 | 27.1 | 0 | 0 | 117.2 | ||||
| 551 | D | 24.8 | Very low | 35.5 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | cis | -160.4 | 175.1 | -26.6 | -162.5 | -2.2 | 0 | 0 | 0 | 108.5 | ||||
| 552 | S | 31.7 | Very low | 35.7 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | trans | -90.7 | 161.1 | -173.5 | -51 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 553 | P | 34.9 | Very low | 35.1 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | -149.6 | -159.1 | 98.6 | 40 | -20.7 | 0 | 0 | 0 | 115.5 | |||||
| 554 | Q | 31.3 | Very low | 35.7 | Very low | 185 Ų | 185 | 136 Ų | 136 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -112.6 | -156 | -156.6 | -145.3 | -163.1 | -18.1 | 0 | 0 | 114.1 | ||||
| 555 | P | 40.3 | Very low | 36.2 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 60% | 0.604 | 76% | 0.763 | S | S | * | * | -126 | -171 | -120.4 | 46.1 | -29.3 | 0 | 0 | 0 | 118.1 | |||||
| 556 | L | 31.7 | Very low | 36.4 | Very low | 160 Ų | 160 | 135 Ų | 135 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | trans | 74.6 | 161.4 | 165.5 | -69.2 | 175 | 0 | 0 | 0 | 116.7 | ||||
| 557 | P | 36.3 | Very low | 36.1 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | cis | -126.5 | -165.8 | 15.2 | 44.5 | -29.1 | 0 | 0 | 0 | 116.3 | ||||
| 558 | A | 34 | Very low | 36.1 | Very low | 77 Ų | 77 | 139.8 Ų | 139.8 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | trans | -114.3 | 178.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 559 | P | 41.8 | Very low | 36.8 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -114.5 | 156.5 | 171 | 38.9 | -29.9 | 0 | 0 | 0 | 115.3 | ||||
| 560 | E | 35.3 | Very low | 37.3 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | -85.5 | -161.8 | 171.1 | -61.5 | 72.2 | -155.5 | 0 | 0 | 110.9 | ||||
| 561 | E | 39.3 | Very low | 38.6 | Very low | 194 Ų | 194 | 145.8 Ų | 145.8 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | cis | -153.7 | 158.7 | 15.3 | -53.9 | 164 | 112.6 | 0 | 0 | 107.9 | ||||
| 562 | E | 39.8 | Very low | 40.1 | Very low | 163 Ų | 163 | 146.9 Ų | 146.9 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | cis | -127.4 | -123.3 | -20.6 | -159.1 | -159.3 | 107.3 | 0 | 0 | 108.1 | A564 | E562-A564 PolarHBondContact OE1-N 3.37Š| ||
| 563 | E | 38.7 | Very low | 41.3 | Very low | 193 Ų | 193 | 148 Ų | 148 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | cis | -127.3 | 144.5 | -4.3 | -68.2 | 179.8 | 115.4 | 0 | 0 | 109.5 | ||||
| 564 | A | 40.3 | Very low | 42.8 | Very low | 81 Ų | 81 | 147.7 Ų | 147.7 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | trans | -116.9 | 149.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | E562 | E562-A564 PolarHBondContact OE1-N 3.37Š| ||
| 565 | L | 39.9 | Very low | 44.3 | Very low | 160 Ų | 160 | 145.7 Ų | 145.7 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -141.9 | 110.5 | 161.7 | -92.5 | 177.5 | 0 | 0 | 0 | 112.7 | ||||
| 566 | T | 35.2 | Very low | 45.6 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | trans | 42.2 | 98.6 | 153.4 | 58.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 567 | T | 39.3 | Very low | 47.5 | Very low | 136 Ų | 136 | 141 Ų | 141 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 132 | 142.4 | 46.3 | 0 | 0 | 0 | 0 | 109.3 | ||
| 568 | E | 42.9 | Very low | 49 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 138.5 | 171.6 | -65.4 | -176.2 | 145.5 | 0 | 0 | 110.5 | F570 | E568-F570 PolarHBondContact O-N 2.85Š|
| 569 | D | 44.1 | Very low | 50.5 | Low | 155 Ų | 155 | 143.1 Ų | 143.1 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 117.3 | -178.1 | -64.8 | -68.5 | 0 | 0 | 0 | 111.5 | E571 | D569-E571 PolarHBondContact O-N 2.83Š|
| 570 | F | 52.6 | Low | 51.8 | Low | 197 Ų | 197 | 144 Ų | 144 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | trans | -83.9 | 99.9 | 164.4 | -77.3 | -94.1 | 0 | 0 | 0 | 108.9 | E568 L572 | E568-F570 PolarHBondContact O-N 2.85Å; F570-L572 PolarHBondContact O-N 3.46Å; F570-L572 VanDerWaalsContact O-N 3.17Å | ||
| 571 | E | 56.1 | Low | 53.2 | Low | 188 Ų | 188 | 140.2 Ų | 140.2 | 88% | 0.879 | 72% | 0.722 | S | S | * | * | trans | -60 | 117.6 | 166.6 | -71 | -172.7 | 128.7 | 0 | 0 | 109.2 | D569 L573 | D569-E571 PolarHBondContact O-N 2.83Å; E571-L573 PolarHBondContact O-N 2.98Å | ||
| 572 | L | 57.5 | Low | 54.4 | Low | 169 Ų | 169 | 134.9 Ų | 134.9 | 89% | 0.885 | 70% | 0.7 | S | S | * | * | trans | -71 | 115 | 172.2 | -75.5 | 164.2 | 0 | 0 | 0 | 108.3 | F570 D574 | F570-L572 PolarHBondContact O-N 3.46Å; F570-L572 VanDerWaalsContact O-N 3.17Å; L572-D574 PolarHBondContact O-N 3.45Å | ||
| 573 | L | 55.8 | Low | 55.7 | Low | 126 Ų | 126 | 130.7 Ų | 130.7 | 66% | 0.66 | 69% | 0.693 | S | S | * | * | trans | -53.8 | 121.3 | 169.2 | -71.9 | 169 | 0 | 0 | 0 | 109 | E571 E577 | E571-L573 PolarHBondContact O-N 2.98Å; L573-E577 WeakPolarHBondContact CD2-OE2 3.41Å | ||
| 574 | D | 67.6 | Low | 57.1 | Low | 128 Ų | 128 | 128.9 Ų | 128.9 | 68% | 0.684 | 69% | 0.685 | S | S | * | * | trans | -71.4 | 147.5 | -175.3 | -159.4 | 0.4 | 0 | 0 | 0 | 110 | L572 G576 E577 | L572-D574 PolarHBondContact O-N 3.45Å; D574-G576 PolarHBondContact O-N 2.79Å; D574-E577 PolarHBondContact O-N 2.97Å | ||
| 575 | Q | 61 | Low | 58 | Low | 144 Ų | 144 | 131.2 Ų | 131.2 | 67% | 0.673 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -64 | -24.7 | -156.1 | -164.3 | 160.2 | 8.4 | 0 | 0 | 113.5 | L578 E579 | Q575-L578 PolarHBondContact O-N 3.23Å; Q575-E579 PolarHBondContact O-N 3.03Å |
| 576 | G | 69.3 | Low | 58.4 | Low | 43 Ų | 43 | 126.5 Ų | 126.5 | 44% | 0.443 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -70.4 | -27 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | D574 L578 E579 Q580 | D574-G576 PolarHBondContact O-N 2.79Å; G576-L578 VanDerWaalsContact C-N 3.34Å; G576-E579 PolarHBondContact O-N 3.46Å; G576-Q580 WeakPolarHBondContact O-CB 3.27Å; G576-Q580 PolarHBondContact O-N 2.89Å |
| 577 | E | 71.4 | Confident | 59.3 | Low | 112 Ų | 112 | 126.5 Ų | 126.5 | 52% | 0.523 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -71.9 | -33.5 | 176 | -63.8 | -166.3 | 132.5 | 0 | 0 | 111.2 | L573 D574 Q580 L581 | L573-E577 WeakPolarHBondContact CD2-OE2 3.41Å; D574-E577 PolarHBondContact O-N 2.97Å; E577-Q580 PolarHBondContact O-N 3.48Å; E577-L581 PolarHBondContact O-N 2.88Å |
| 578 | L | 66.1 | Low | 59.6 | Low | 111 Ų | 111 | 128 Ų | 128 | 58% | 0.581 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -69.1 | -39.8 | 174.2 | -164.2 | 70.6 | 0 | 0 | 0 | 111.7 | Q575 G576 L581 N582 | Q575-L578 PolarHBondContact O-N 3.23Å; G576-L578 VanDerWaalsContact C-N 3.34Å; L578-L581 PolarHBondContact O-N 3.37Å; L578-N582 PolarHBondContact O-N 3.02Å |
| 579 | E | 66.6 | Low | 59.5 | Low | 134 Ų | 134 | 125.3 Ų | 125.3 | 63% | 0.626 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -65.5 | -39.1 | 172.4 | -70.9 | -179.7 | 179.3 | 0 | 0 | 111.9 | Q575 G576 N582 A583 | Q575-E579 PolarHBondContact O-N 3.03Å; G576-E579 PolarHBondContact O-N 3.46Å; E579-N582 PolarHBondContact O-N 3.3Å; E579-A583 PolarHBondContact O-N 3.21Å |
| 580 | Q | 69.3 | Low | 59 | Low | 135 Ų | 135 | 127.1 Ų | 127.1 | 63% | 0.631 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -64.4 | -41.1 | 176 | -173.6 | 171.6 | -38 | 0 | 0 | 112 | G576 E577 A583 E584 | G576-Q580 WeakPolarHBondContact O-CB 3.27Å; G576-Q580 PolarHBondContact O-N 2.89Å; E577-Q580 PolarHBondContact O-N 3.48Å; Q580-A583 PolarHBondContact O-N 2.87Å; Q580-E584 WeakPolarHBondContact O-CB 3.46Å; Q580-E584 PolarHBondContact O-N 3.45Å |
| 581 | L | 64.3 | Low | 58.4 | Low | 89 Ų | 89 | 123.6 Ų | 123.6 | 47% | 0.466 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -64.4 | -37.3 | 172.6 | -76.7 | 171.7 | 0 | 0 | 0 | 112.6 | E577 L578 A583 E584 L585 | E577-L581 PolarHBondContact O-N 2.88Å; L578-L581 PolarHBondContact O-N 3.37Å; L581-A583 VanDerWaalsContact C-N 3.33Å; L581-E584 PolarHBondContact O-N 3.14Å; L581-L585 WeakPolarHBondContact O-CB 3.26Å; L581-L585 PolarHBondContact O-N 3.2Å |
| 582 | N | 65.4 | Low | 57.5 | Low | 81 Ų | 81 | 120.2 Ų | 120.2 | 43% | 0.433 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -66.6 | -36.1 | 176.1 | -166.6 | 81.1 | 0 | 0 | 0 | 112.1 | L578 E579 G586 L587 | L578-N582 PolarHBondContact O-N 3.02Å; E579-N582 PolarHBondContact O-N 3.3Å; N582-G586 PolarHBondContact O-N 2.93Å; N582-L587 PolarHBondContact ND2-O 3.4Å; N582-L587 PolarHBondContact O-N 3.17Å |
| 583 | A | 66.5 | Low | 56.4 | Low | 76 Ų | 76 | 118.3 Ų | 118.3 | 63% | 0.628 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -68.6 | -40.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E579 Q580 L581 G586 | E579-A583 PolarHBondContact O-N 3.21Å; Q580-A583 PolarHBondContact O-N 2.87Å; L581-A583 VanDerWaalsContact C-N 3.33Å; A583-G586 PolarHBondContact O-N 3.27Å |
| 584 | E | 67.2 | Low | 55.5 | Low | 155 Ų | 155 | 121.9 Ų | 121.9 | 72% | 0.724 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -70.6 | -29.5 | 178.1 | -169.3 | 164.8 | -158.5 | 0 | 0 | 112.8 | Q580 L581 G586 | Q580-E584 WeakPolarHBondContact O-CB 3.46Å; Q580-E584 PolarHBondContact O-N 3.45Å; L581-E584 PolarHBondContact O-N 3.14Å; E584-G586 VanDerWaalsContact C-N 3.33Å |
| 585 | L | 59.1 | Low | 54.3 | Low | 130 Ų | 130 | 121 Ų | 121 | 68% | 0.681 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -6.7 | 170.8 | -78.6 | 161.7 | 0 | 0 | 0 | 114.2 | L581 L587 | L581-L585 WeakPolarHBondContact O-CB 3.26Å; L581-L585 PolarHBondContact O-N 3.2Å; L585-L587 VanDerWaalsContact C-N 3.32Å; L585-L587 PolarHBondContact O-N 3.37Å |
| 586 | G | 48.3 | Very low | 53.6 | Low | 61 Ų | 61 | 119 Ų | 119 | 63% | 0.629 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.3 | 23 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | N582 A583 E584 E588 | N582-G586 PolarHBondContact O-N 2.93Å; A583-G586 PolarHBondContact O-N 3.27Å; E584-G586 VanDerWaalsContact C-N 3.33Å; G586-E588 PolarHBondContact O-N 3.01Å |
| 587 | L | 54.6 | Low | 51.8 | Low | 118 Ų | 118 | 124.1 Ų | 124.1 | 62% | 0.618 | 68% | 0.684 | S | S | * | * | trans | -97.9 | 64.8 | -177.6 | -66.2 | 177.9 | 0 | 0 | 0 | 112 | N582 L585 | N582-L587 PolarHBondContact ND2-O 3.4Å; N582-L587 PolarHBondContact O-N 3.17Å; L585-L587 VanDerWaalsContact C-N 3.32Å; L585-L587 PolarHBondContact O-N 3.37Å | ||
| 588 | E | 45 | Very low | 49.9 | Very low | 166 Ų | 166 | 123.3 Ų | 123.3 | 78% | 0.776 | 70% | 0.696 | S | S | * | * | trans | -92.6 | 133.3 | 163 | -168 | -179.3 | 171.6 | 0 | 0 | 110 | G586 E590 | G586-E588 PolarHBondContact O-N 3.01Å; E588-E590 PolarHBondContact O-N 2.99Å | ||
| 589 | P | 42.3 | Very low | 48.8 | Very low | 113 Ų | 113 | 123.8 Ų | 123.8 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | trans | -74.5 | 111.5 | 176.5 | 29.2 | -33.8 | 0 | 0 | 0 | 111.6 | T591 | P589-T591 PolarHBondContact O-N 3.18Š| ||
| 590 | E | 33 | Very low | 47.8 | Very low | 193 Ų | 193 | 122.8 Ų | 122.8 | 90% | 0.902 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 126.4 | 175.9 | -90.6 | -150.2 | 118.8 | 0 | 0 | 112.4 | E588 | E588-E590 PolarHBondContact O-N 2.99Š|
| 591 | T | 40.8 | Very low | 46.1 | Very low | 123 Ų | 123 | 125.1 Ų | 125.1 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 132 | 170.4 | -3.2 | 0 | 0 | 0 | 0 | 110 | P589 | P589-T591 PolarHBondContact O-N 3.18Š|
| 592 | P | 36.8 | Very low | 44.5 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 143.3 | -177.3 | 25.7 | -34.3 | 0 | 0 | 0 | 112.6 | ||
| 593 | P | 34.5 | Very low | 43.3 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 84% | 0.844 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 155.2 | -166.9 | 30.7 | -37.2 | 0 | 0 | 0 | 114.9 | ||
| 594 | K | 36.4 | Very low | 41.6 | Very low | 200 Ų | 200 | 128.4 Ų | 128.4 | 87% | 0.87 | 76% | 0.756 | S | S | * | * | trans | -145.8 | 123.5 | 171.2 | 177.5 | 171.4 | -178 | 172.5 | 0 | 112 | ||||
| 595 | P | 42.8 | Very low | 39.9 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | -149.7 | -169.3 | 127.2 | 39.6 | -22.9 | 0 | 0 | 0 | 112.1 | |||||
| 596 | P | 45.4 | Very low | 38.7 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 66% | 0.662 | 76% | 0.761 | S | S | * | * | cis | -128 | 163.1 | -24.4 | 14.9 | 9.9 | 0 | 0 | 0 | 116 | ||||
| 597 | D | 32.7 | Very low | 37.9 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | 53.4 | 98.1 | 137.2 | -49.6 | -21.2 | 0 | 0 | 0 | 125 | ||||
| 598 | A | 31.5 | Very low | 36.7 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | 40.9 | 173.3 | 103.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 599 | P | 43.2 | Very low | 36.1 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | cis | -132.1 | -140.1 | 1.6 | 34.1 | -7.2 | 0 | 0 | 0 | 113.8 | ||||
| 600 | P | 45.7 | Very low | 35.6 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | -132.1 | 163.1 | -96.2 | 42.7 | -25.8 | 0 | 0 | 0 | 117.8 | |||||
| 601 | L | 33.8 | Very low | 35.6 | Very low | 184 Ų | 184 | 128.4 Ų | 128.4 | 96% | 0.963 | 77% | 0.766 | S | S | * | * | trans | -179.5 | 147.4 | 159.3 | -97.9 | 146.7 | 0 | 0 | 0 | 106.4 | ||||
| 602 | G | 29.4 | Very low | 35.3 | Very low | 64 Ų | 64 | 130.4 Ų | 130.4 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | cis | 177.1 | 149.3 | -4.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 603 | P | 39.5 | Very low | 35 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -98.7 | 172.3 | -155.7 | 38.7 | -38.7 | 0 | 0 | 0 | 117.5 | ||||
| 604 | D | 31.9 | Very low | 34.9 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | 71.7 | 117.8 | 157.3 | -52.2 | -40.4 | 0 | 0 | 0 | 121 | ||||
| 605 | T | 30.9 | Very low | 34.8 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | 166.7 | 156.6 | 100.7 | 40.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 606 | H | 34.2 | Very low | 34.4 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 78% | 0.778 | 79% | 0.785 | S | S | * | * | trans | 59.8 | 123.3 | 166.6 | -60.6 | -62.3 | 0 | 0 | 0 | 119.5 | ||||
| 607 | S | 31.4 | Very low | 34 | Very low | 96 Ų | 96 | 135.5 Ų | 135.5 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | cis | 109.4 | 112.9 | 15.4 | 76.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 608 | L | 29.3 | Very low | 34.2 | Very low | 148 Ų | 148 | 135.4 Ų | 135.4 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | 63.8 | 107.6 | 145.4 | -163.7 | 142.2 | 0 | 0 | 0 | 119.5 | ||||
| 609 | V | 32.6 | Very low | 34.6 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 90% | 0.903 | 80% | 0.795 | S | S | * | * | trans | -135.2 | 146 | 138.9 | 176.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 610 | Q | 31.9 | Very low | 34.1 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 76% | 0.757 | 80% | 0.798 | S | S | * | * | trans | -119.9 | 170.4 | -171.7 | -172 | 169.1 | -9.5 | 0 | 0 | 110.5 | ||||
| 611 | S | 32.8 | Very low | 34.7 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 66% | 0.664 | 82% | 0.822 | S | S | * | * | trans | -47.8 | 146.2 | 174.9 | -47.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 612 | D | 34.1 | Very low | 34.7 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | -179.5 | 141.2 | 105.6 | -84.5 | -18.8 | 0 | 0 | 0 | 111 | |||||
| 613 | Q | 31.7 | Very low | 35 | Very low | 202 Ų | 202 | 144.2 Ų | 144.2 | 94% | 0.944 | 82% | 0.823 | S | S | * | * | trans | -150.7 | 92.6 | 174.3 | -177.3 | 162.1 | 70.9 | 0 | 0 | 111.1 | ||||
| 614 | E | 31.9 | Very low | 34.8 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | trans | -136.5 | 154.6 | 168.5 | -154.8 | -170.7 | 104.5 | 0 | 0 | 110.6 | ||||
| 615 | A | 33.3 | Very low | 34.9 | Very low | 86 Ų | 86 | 146.3 Ų | 146.3 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | trans | 56.2 | 99.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 616 | Q | 34.6 | Very low | 35.2 | Very low | 203 Ų | 203 | 148.1 Ų | 148.1 | 95% | 0.949 | 84% | 0.84 | S | S | * | * | -144.3 | 143 | 128.9 | -139.2 | 170.4 | 24.9 | 0 | 0 | 112.1 | |||||
| 617 | A | 37 | Very low | 35.3 | Very low | 88 Ų | 88 | 146.7 Ų | 146.7 | 73% | 0.727 | 84% | 0.844 | S | S | * | * | trans | -128.9 | 143.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 618 | V | 37.5 | Very low | 35.5 | Very low | 147 Ų | 147 | 150.4 Ų | 150.4 | 89% | 0.891 | 86% | 0.857 | S | S | * | * | trans | 33.7 | 110.4 | 150 | -172.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 619 | A | 40.8 | Very low | 36 | Very low | 101 Ų | 101 | 150.5 Ų | 150.5 | 84% | 0.835 | 86% | 0.863 | S | S | * | * | trans | -149 | 143.2 | 142.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 620 | E | 30.8 | Very low | 36.3 | Very low | 182 Ų | 182 | 150.7 Ų | 150.7 | 85% | 0.85 | 86% | 0.86 | S | S | * | * | trans | -85.9 | 166.7 | -179.1 | -141.5 | 170.8 | 179.6 | 0 | 0 | 111.4 | ||||
| 621 | P | 59.3 | Low | 36.7 | Very low | 190 Ų | 190 | 149.6 Ų | 149.6 | 100% | 1.234 | 87% | 0.869 | S | S | * | * | -142.2 | 0 | 102.7 | 41.1 | -29.8 | 0 | 0 | 0 | 116.2 |
Retrieved 621 of 621 residues in 99.9 ms
(Link to these results)