| 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 | 39.8 | Very low | 42.9 | Very low | 249 Ų | 249 | 162.6 Ų | 162.6 | 100% | 1.227 | 84% | 0.836 | S | S | * | * | 0 | 115.5 | 0 | -66.4 | -161.7 | 168.1 | 0 | 0 | 107.4 | |||||
| 2 | G | 42.3 | Very low | 43.1 | Very low | 73 Ų | 73 | 159.2 Ų | 159.2 | 75% | 0.753 | 84% | 0.837 | S | S | * | * | 84.7 | 86.3 | 82 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 3 | R | 41.7 | Very low | 43.2 | Very low | 239 Ų | 239 | 162.6 Ų | 162.6 | 90% | 0.902 | 84% | 0.841 | S | S | * | * | 81.5 | 112.4 | 98.1 | -97.9 | -174.1 | 179.6 | -158.9 | 0.8 | 115.4 | |||||
| 4 | S | 43.3 | Very low | 43.2 | Very low | 85 Ų | 85 | 163.6 Ų | 163.6 | 59% | 0.594 | 84% | 0.839 | S | S | * | * | trans | 83.2 | 126 | 135.4 | -17.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 5 | R | 42.2 | Very low | 43.2 | Very low | 225 Ų | 225 | 160.5 Ų | 160.5 | 85% | 0.849 | 84% | 0.838 | S | S | * | * | 159.2 | 109.9 | 103.7 | -90.2 | 148.4 | -178.9 | 154.9 | -2.8 | 114 | |||||
| 6 | S | 42.4 | Very low | 43.4 | Very low | 88 Ų | 88 | 162.6 Ų | 162.6 | 62% | 0.615 | 84% | 0.838 | S | S | * | * | 53.6 | 122.7 | 118.3 | -47.2 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 7 | R | 40.7 | Very low | 43.4 | Very low | 230 Ų | 230 | 158.8 Ų | 158.8 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | trans | 72.1 | 123.4 | 133.1 | -58.8 | 167.5 | -176.8 | 152.8 | -1 | 116.8 | ||||
| 8 | S | 42.9 | Very low | 43.6 | Very low | 117 Ų | 117 | 156.4 Ų | 156.4 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | -172.8 | 140 | 62.7 | -58.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 9 | S | 41.8 | Very low | 43.7 | Very low | 112 Ų | 112 | 157.6 Ų | 157.6 | 78% | 0.783 | 83% | 0.825 | S | S | * | * | trans | 16.5 | 120.1 | 139.9 | 171.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 10 | S | 44.8 | Very low | 43.6 | Very low | 121 Ų | 121 | 159 Ų | 159 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | -155.9 | 139.7 | 121.1 | 45.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 11 | R | 49.9 | Very low | 43.6 | Very low | 250 Ų | 250 | 156.8 Ų | 156.8 | 94% | 0.943 | 83% | 0.825 | S | S | * | * | trans | -69.7 | 133.5 | -171.5 | -68.7 | 162.9 | 166.8 | 162.6 | -6.4 | 111.4 | ||||
| 12 | S | 45.1 | Very low | 43.9 | Very low | 121 Ų | 121 | 154.8 Ų | 154.8 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -132.2 | 154.2 | 158.1 | 94.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 13 | K | 44 | Very low | 43.9 | Very low | 204 Ų | 204 | 161.3 Ų | 161.3 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | -89.6 | 159.7 | -143.6 | -65.1 | 171.1 | 173.1 | 172.4 | 0 | 113.4 | ||||
| 14 | H | 43.3 | Very low | 43.6 | Very low | 177 Ų | 177 | 161 Ų | 161 | 82% | 0.819 | 82% | 0.816 | S | S | * | * | trans | -32.6 | 132.6 | 169 | -89.1 | -57.1 | 0 | 0 | 0 | 116.7 | ||||
| 15 | S | 43.1 | Very low | 43.7 | Very low | 116 Ų | 116 | 162.1 Ų | 162.1 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | trans | -143.1 | 127.4 | 135.4 | 66.4 | 0 | 0 | 0 | 0 | 109.3 | S17 | S15-S17 PolarHBondContact O-N 3.39Š| ||
| 16 | K | 46.2 | Very low | 43.4 | Very low | 195 Ų | 195 | 160.7 Ų | 160.7 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | trans | -83.7 | 108.6 | 179.7 | -71 | 179.8 | 177.2 | 174.8 | 0 | 108.4 | ||||
| 17 | S | 43.9 | Very low | 43.3 | Very low | 98 Ų | 98 | 162.1 Ų | 162.1 | 69% | 0.685 | 83% | 0.829 | S | S | * | * | trans | -96.8 | 116.9 | 169.6 | 82.5 | 0 | 0 | 0 | 0 | 111.8 | S15 | S15-S17 PolarHBondContact O-N 3.39Š| ||
| 18 | S | 46.8 | Very low | 43 | Very low | 116 Ų | 116 | 161 Ų | 161 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | trans | 9.1 | 115.1 | 139.8 | 179.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 19 | K | 45.4 | Very low | 42.7 | Very low | 178 Ų | 178 | 160.8 Ų | 160.8 | 77% | 0.774 | 82% | 0.823 | S | S | * | * | trans | -145.5 | 116.6 | 155.1 | -72.1 | -173.9 | 179.4 | 171.5 | 0 | 109.1 | ||||
| 20 | H | 42.2 | Very low | 42.5 | Very low | 186 Ų | 186 | 166.6 Ų | 166.6 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | -170.8 | 100.8 | 120.8 | -91 | -46.3 | 0 | 0 | 0 | 111.4 | |||||
| 21 | S | 43.7 | Very low | 42.4 | Very low | 112 Ų | 112 | 167.7 Ų | 167.7 | 78% | 0.783 | 82% | 0.824 | S | S | * | * | trans | -78.8 | 125.6 | 156.2 | 56.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 22 | K | 45.3 | Very low | 41.8 | Very low | 207 Ų | 207 | 165.3 Ų | 165.3 | 90% | 0.9 | 82% | 0.82 | S | S | * | * | trans | -152.5 | 104.8 | 153.4 | -116 | 170.6 | -174.3 | 174.4 | 0 | 110.2 | ||||
| 23 | K | 43.4 | Very low | 41.6 | Very low | 211 Ų | 211 | 168.4 Ų | 168.4 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | trans | -65.6 | 134.5 | 165 | -66.9 | -170 | 176.1 | -174.9 | 0 | 109.1 | ||||
| 24 | R | 35.9 | Very low | 41.3 | Very low | 231 Ų | 231 | 167.9 Ų | 167.9 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | trans | -151.6 | 105.4 | 153.9 | -151.9 | 174.3 | -171.1 | 171 | 1.5 | 109.4 | ||||
| 25 | S | 45.3 | Very low | 41.3 | Very low | 109 Ų | 109 | 164.9 Ų | 164.9 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | trans | -69.9 | 134 | 167.7 | 37.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 26 | R | 34.4 | Very low | 41.1 | Very low | 196 Ų | 196 | 167 Ų | 167 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | trans | -166.9 | 103.6 | 149.8 | -117.7 | 176.8 | 178.7 | 103 | -3.4 | 110.6 | ||||
| 27 | S | 40.8 | Very low | 41 | Very low | 118 Ų | 118 | 168.3 Ų | 168.3 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -58.9 | 135.7 | 161.8 | -33.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 28 | R | 35.6 | Very low | 40.4 | Very low | 207 Ų | 207 | 174.7 Ų | 174.7 | 78% | 0.781 | 82% | 0.822 | S | S | * | * | trans | -167.5 | 107.5 | 156.1 | -107.1 | 162.8 | -166 | 164.6 | 0.8 | 111.6 | ||||
| 29 | S | 36.3 | Very low | 40.2 | Very low | 111 Ų | 111 | 174.1 Ų | 174.1 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | 52.4 | 128.2 | 134.5 | 59.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 30 | R | 37.9 | Very low | 39.7 | Very low | 235 Ų | 235 | 174.7 Ų | 174.7 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | trans | -37.6 | 165 | 158.1 | -71.8 | 170.2 | 170.2 | 156.7 | -4.4 | 115.7 | ||||
| 31 | D | 41 | Very low | 39.5 | Very low | 144 Ų | 144 | 170.8 Ų | 170.8 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | 89.2 | 102.2 | 164.8 | -76 | -64.1 | 0 | 0 | 0 | 119 | ||||
| 32 | K | 37.4 | Very low | 39.4 | Very low | 200 Ų | 200 | 177.8 Ų | 177.8 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | -166.6 | 103 | 122 | -111.3 | 161.8 | -179.2 | 164.6 | 0 | 111.6 | R34 | K32-R34 PolarHBondContact O-N 3.11Š| |||
| 33 | E | 41.3 | Very low | 39.3 | Very low | 185 Ų | 185 | 177 Ų | 177 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | -49.6 | 131.3 | 147.3 | -70.9 | -163.1 | 150 | 0 | 0 | 109.7 | ||||
| 34 | R | 38.9 | Very low | 39.1 | Very low | 193 Ų | 193 | 171 Ų | 171 | 73% | 0.728 | 81% | 0.813 | S | S | * | * | trans | -151.1 | 86.7 | 159.9 | -151.8 | 175.4 | -169 | -169.7 | 5.3 | 111.4 | K32 K36 | K32-R34 PolarHBondContact O-N 3.11Å; R34-K36 PolarHBondContact O-N 3.17Å | ||
| 35 | S | 43 | Very low | 39.5 | Very low | 115 Ų | 115 | 169.1 Ų | 169.1 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -51.8 | 115 | 157 | 51.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 36 | K | 39.1 | Very low | 39 | Very low | 159 Ų | 159 | 174.1 Ų | 174.1 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | trans | -149.1 | 88.9 | 158.9 | -77.4 | -165 | 176.4 | 179 | 0 | 111.1 | R34 | R34-K36 PolarHBondContact O-N 3.17Š| ||
| 37 | K | 42.5 | Very low | 39.1 | Very low | 223 Ų | 223 | 173 Ų | 173 | 97% | 0.97 | 82% | 0.821 | S | S | * | * | trans | -81.2 | 113.6 | 153.6 | -72.8 | -172 | 178.5 | 179.9 | 0 | 107.6 | ||||
| 38 | R | 32.4 | Very low | 39 | Very low | 232 Ų | 232 | 177.6 Ų | 177.6 | 88% | 0.875 | 82% | 0.821 | S | S | * | * | trans | -141.3 | 113 | 166.1 | -168.8 | 169.2 | 177.4 | 165.6 | -1.6 | 109 | ||||
| 39 | S | 42.4 | Very low | 39.2 | Very low | 105 Ų | 105 | 179.2 Ų | 179.2 | 73% | 0.734 | 83% | 0.827 | S | S | * | * | trans | -48.9 | 142.5 | 171.2 | 46.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 40 | K | 35.2 | Very low | 39.4 | Very low | 190 Ų | 190 | 185.6 Ų | 185.6 | 83% | 0.826 | 83% | 0.834 | S | S | * | * | trans | 179.2 | 121.4 | 137.2 | -105.8 | 170.5 | 176.8 | -177.1 | 0 | 114 | ||||
| 41 | S | 37 | Very low | 39.3 | Very low | 104 Ų | 104 | 181.6 Ų | 181.6 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | trans | 23.4 | 115.4 | 140.3 | 62.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 42 | R | 41.9 | Very low | 39.2 | Very low | 259 Ų | 259 | 180 Ų | 180 | 98% | 0.977 | 83% | 0.826 | S | S | * | * | trans | -98.9 | 92.6 | 160.2 | -92.1 | -179 | 171.8 | 162.3 | -2.6 | 109.8 | ||||
| 43 | E | 42.8 | Very low | 39.1 | Very low | 190 Ų | 190 | 181.2 Ų | 181.2 | 89% | 0.888 | 83% | 0.825 | S | S | * | * | trans | -125.9 | 112.2 | 159.5 | -160.1 | 172.2 | -159 | 0 | 0 | 106.6 | ||||
| 44 | A | 40.1 | Very low | 38.9 | Very low | 84 Ų | 84 | 177.9 Ų | 177.9 | 69% | 0.694 | 82% | 0.822 | S | S | * | * | trans | -152.6 | 110.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 45 | K | 43.5 | Very low | 38.7 | Very low | 193 Ų | 193 | 180.4 Ų | 180.4 | 84% | 0.839 | 83% | 0.832 | S | S | * | * | trans | 84.2 | 101.3 | 139.2 | -59.1 | 173 | -177.7 | -177.8 | 0 | 115.7 | ||||
| 46 | R | 35.6 | Very low | 38.4 | Very low | 214 Ų | 214 | 180.4 Ų | 180.4 | 81% | 0.808 | 83% | 0.831 | S | S | * | * | 43.8 | 99.4 | 79.2 | -71.3 | -173.9 | 176 | 172.6 | 0.4 | 112.7 | |||||
| 47 | N | 36.6 | Very low | 38.3 | Very low | 171 Ų | 171 | 184.7 Ų | 184.7 | 91% | 0.914 | 84% | 0.843 | S | S | * | * | trans | -117.4 | 104.6 | 151.6 | -107.2 | -10.6 | 0 | 0 | 0 | 109.4 | ||||
| 48 | R | 39 | Very low | 38.3 | Very low | 216 Ų | 216 | 179.5 Ų | 179.5 | 82% | 0.815 | 84% | 0.835 | S | S | * | * | trans | -79.5 | 120.2 | 160.8 | -76.1 | 175.3 | 179.2 | 155.2 | -2.9 | 107.2 | ||||
| 49 | R | 38.3 | Very low | 38.5 | Very low | 241 Ų | 241 | 172.4 Ų | 172.4 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | trans | -141.1 | 102.1 | 151.6 | -121.7 | 178.8 | 179.9 | 179.6 | -1 | 109.6 | ||||
| 50 | R | 40.7 | Very low | 38.2 | Very low | 244 Ų | 244 | 173.3 Ų | 173.3 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | -56.8 | 125.1 | 155.5 | -85.2 | 173.5 | 164.7 | 163.4 | -6.5 | 107.5 | ||||
| 51 | E | 36.8 | Very low | 38.2 | Very low | 152 Ų | 152 | 170.6 Ų | 170.6 | 71% | 0.71 | 83% | 0.826 | S | S | * | * | trans | -136.5 | 101.9 | 152.9 | -167.6 | 72.4 | -148.3 | 0 | 0 | 106.7 | ||||
| 52 | S | 38.2 | Very low | 38.1 | Very low | 111 Ų | 111 | 170.5 Ų | 170.5 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | trans | -78.7 | 116.3 | 168.2 | 36.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 53 | R | 35.3 | Very low | 38 | Very low | 224 Ų | 224 | 164.5 Ų | 164.5 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | -147.1 | 104.6 | 161.8 | -128.6 | 169.9 | -177.7 | 140.9 | -3.8 | 111.2 | ||||
| 54 | S | 38.6 | Very low | 37.8 | Very low | 116 Ų | 116 | 166.8 Ų | 166.8 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | -59.3 | 135.4 | 169 | 29.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 55 | R | 33.1 | Very low | 37.6 | Very low | 246 Ų | 246 | 173.7 Ų | 173.7 | 93% | 0.928 | 83% | 0.827 | S | S | * | * | trans | -158.8 | 117 | 148.1 | -117.6 | 170.6 | -177.3 | 153.8 | 0.2 | 110.7 | ||||
| 56 | S | 38.3 | Very low | 37.4 | Very low | 114 Ų | 114 | 173.3 Ų | 173.3 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | trans | -60 | 146.7 | 176.1 | -32.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 57 | R | 36.3 | Very low | 37.3 | Very low | 249 Ų | 249 | 174.8 Ų | 174.8 | 94% | 0.94 | 83% | 0.833 | S | S | * | * | trans | -168.2 | 132.3 | 134.4 | -103.8 | 161.2 | -173.6 | 166.8 | 0.8 | 111.3 | ||||
| 58 | S | 41.9 | Very low | 37.4 | Very low | 115 Ų | 115 | 174.6 Ų | 174.6 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -62.1 | 150.5 | -179.3 | 44.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 59 | A | 36.2 | Very low | 37.4 | Very low | 82 Ų | 82 | 175.6 Ų | 175.6 | 68% | 0.678 | 83% | 0.831 | S | S | * | * | trans | -178.4 | 110.8 | 131.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 60 | T | 35.9 | Very low | 37.2 | Very low | 125 Ų | 125 | 168.7 Ų | 168.7 | 77% | 0.767 | 83% | 0.825 | S | S | * | * | 69.3 | 110.6 | 129.4 | 62.3 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 61 | V | 36.5 | Very low | 37.4 | Very low | 133 Ų | 133 | 163.6 Ų | 163.6 | 81% | 0.806 | 82% | 0.821 | S | S | * | * | 94 | 141.3 | 92 | 168.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 62 | S | 35.6 | Very low | 37.7 | Very low | 102 Ų | 102 | 160.6 Ų | 160.6 | 71% | 0.713 | 81% | 0.813 | S | S | * | * | trans | 91.8 | 125.3 | 170 | 76.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 63 | T | 39.2 | Very low | 38.5 | Very low | 133 Ų | 133 | 160.4 Ų | 160.4 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | cis | -163.2 | 132.1 | -3 | 11.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 64 | R | 38.1 | Very low | 39.2 | Very low | 238 Ų | 238 | 155.8 Ų | 155.8 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | -65.1 | 147.7 | 163.9 | -85.7 | 176.6 | 168.2 | 172.4 | -5.4 | 110.4 | ||||
| 65 | R | 35.9 | Very low | 39.6 | Very low | 229 Ų | 229 | 154.7 Ų | 154.7 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | 149.1 | 104.2 | 132.8 | -82.5 | 168.1 | -175.5 | 171.8 | 1.9 | 108.5 | ||||
| 66 | E | 40.3 | Very low | 40.6 | Very low | 184 Ų | 184 | 153.8 Ų | 153.8 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | 33 | 98.6 | 85.7 | -84.7 | -169.2 | 165.6 | 0 | 0 | 111.7 | |||||
| 67 | R | 32.6 | Very low | 41.6 | Very low | 246 Ų | 246 | 153.6 Ų | 153.6 | 93% | 0.928 | 78% | 0.776 | S | S | * | * | trans | -113.2 | 98.8 | 164.4 | -173.3 | 167.5 | -108.6 | -130.1 | -2.4 | 107.7 | ||||
| 68 | E | 39.7 | Very low | 42.3 | Very low | 166 Ų | 166 | 146.3 Ų | 146.3 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 148.6 | 169.2 | -68.6 | -153.3 | 145.2 | 0 | 0 | 112.4 | A70 | E68-A70 PolarHBondContact O-N 3.48Š|
| 69 | R | 38.7 | Very low | 43.2 | Very low | 238 Ų | 238 | 148.5 Ų | 148.5 | 90% | 0.898 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 119.5 | 168.2 | -162.2 | 171.2 | -167.9 | 178.4 | 1.5 | 110.1 | V71 | R69-V71 PolarHBondContact O-N 3.3Å; R69-V71 VanDerWaalsContact O-N 3.16Å |
| 70 | A | 33.9 | Very low | 44 | Very low | 95 Ų | 95 | 153.4 Ų | 153.4 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 117 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | E68 | E68-A70 PolarHBondContact O-N 3.48Š|
| 71 | V | 43.7 | Very low | 45 | Very low | 137 Ų | 137 | 150.2 Ų | 150.2 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -72 | 119.4 | 166.5 | 174.8 | 0 | 0 | 0 | 0 | 108.1 | R69 | R69-V71 PolarHBondContact O-N 3.3Å; R69-V71 VanDerWaalsContact O-N 3.16Å |
| 72 | T | 44.2 | Very low | 46.4 | Very low | 90 Ų | 90 | 153.5 Ų | 153.5 | 55% | 0.552 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 147.4 | 167.5 | 46.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 73 | P | 53.6 | Low | 47.4 | Very low | 106 Ų | 106 | 151.6 Ų | 151.6 | 69% | 0.688 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 155.1 | -176.4 | 19 | -13.2 | 0 | 0 | 0 | 112.5 | E75 | P73-E75 PolarHBondContact O-N 3.22Š|
| 74 | P | 50.6 | Low | 47.8 | Very low | 127 Ų | 127 | 151.7 Ų | 151.7 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 124.2 | -176.2 | 28.3 | -33 | 0 | 0 | 0 | 110.5 | R76 | P74-R76 PolarHBondContact O-N 3.31Š|
| 75 | E | 48.3 | Very low | 48.7 | Very low | 93 Ų | 93 | 143.1 Ų | 143.1 | 44% | 0.435 | 71% | 0.708 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 127.6 | 171.4 | -70.1 | -174.2 | 139.5 | 0 | 0 | 108.9 | P73 I77 T83 | P73-E75 PolarHBondContact O-N 3.22Å; E75-I77 PolarHBondContact O-N 3.03Å; E75-T83 HydrophobicContact CB-CG2 3.99Å; E75-T83 WeakPolarHBondContact OE2-CB 3.36Å; E75-T83 WeakPolarHBondContact OE2-CG2 3.25Å; E75-T83 PolarHBondContact OE2-OG1 3.15Å; E75-T83 VanDerWaalsContact OE2-OG1 3.06Å |
| 76 | R | 52.3 | Low | 49.4 | Very low | 228 Ų | 228 | 142.1 Ų | 142.1 | 86% | 0.86 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -69 | 119.5 | 168.6 | -73.6 | -175.3 | -176.2 | -130.9 | 2.1 | 107.8 | P74 | P74-R76 PolarHBondContact O-N 3.31Š|
| 77 | I | 59.1 | Low | 49.9 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 56% | 0.564 | 69% | 0.693 | S | S | * | * | B | Isolated β-bridge | trans | -95 | 128.8 | -178.6 | -55.3 | 161.7 | 0 | 0 | 0 | 107.4 | E75 G81 T83 | E75-I77 PolarHBondContact O-N 3.03Å; I77-G81 VanDerWaalsContact CG2-C 3.47Å; I77-T83 HydrophobicContact CG1-CG2 4.3Å |
| 78 | D | 51.3 | Low | 51 | Low | 95 Ų | 95 | 131.2 Ų | 131.2 | 51% | 0.508 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -76.4 | 165.1 | 172.9 | -165 | 1.8 | 0 | 0 | 0 | 110.5 | F80 G81 R82 | D78-F80 PolarHBondContact O-N 2.86Å; D78-G81 PolarHBondContact O-N 2.69Å; D78-R82 PolarHBondContact N-O 3.5Å |
| 79 | I | 60.7 | Low | 51.9 | Low | 161 Ų | 161 | 126.4 Ų | 126.4 | 83% | 0.826 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | -15.1 | -171.7 | -66.1 | 167 | 0 | 0 | 0 | 114 | ||
| 80 | F | 52.8 | Low | 52.8 | Low | 185 Ų | 185 | 120.2 Ų | 120.2 | 81% | 0.811 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 18 | 174.3 | -76.9 | -82.4 | 0 | 0 | 0 | 115.8 | D78 R82 | D78-F80 PolarHBondContact O-N 2.86Å; F80-R82 VanDerWaalsContact C-N 3.26Å; F80-R82 PolarHBondContact O-N 3.49Å |
| 81 | G | 57.7 | Low | 54 | Low | 59 Ų | 59 | 118.9 Ų | 118.9 | 61% | 0.608 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 74.8 | 10.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I77 D78 | I77-G81 VanDerWaalsContact CG2-C 3.47Å; D78-G81 PolarHBondContact O-N 2.69Å |
| 82 | R | 65.9 | Low | 54.8 | Low | 202 Ų | 202 | 118 Ų | 118 | 76% | 0.762 | 61% | 0.611 | S | S | * | * | trans | -95.7 | 128.2 | 179.2 | -69.9 | -179.2 | 179.4 | 176.7 | -0.2 | 110.3 | D78 F80 | D78-R82 PolarHBondContact N-O 3.5Å; F80-R82 VanDerWaalsContact C-N 3.26Å; F80-R82 PolarHBondContact O-N 3.49Å | ||
| 83 | T | 55.8 | Low | 55.8 | Low | 62 Ų | 62 | 120 Ų | 120 | 38% | 0.38 | 61% | 0.612 | S | S | . | * | B | Isolated β-bridge | trans | -74.1 | 130.8 | 173.9 | 64.3 | 0 | 0 | 0 | 0 | 108.6 | E75 I77 S85 | E75-T83 HydrophobicContact CB-CG2 3.99Å; E75-T83 WeakPolarHBondContact OE2-CB 3.36Å; E75-T83 WeakPolarHBondContact OE2-CG2 3.25Å; E75-T83 PolarHBondContact OE2-OG1 3.15Å; E75-T83 VanDerWaalsContact OE2-OG1 3.06Å; I77-T83 HydrophobicContact CG1-CG2 4.3Å; T83-S85 PolarHBondContact O-N 3.32Å |
| 84 | L | 48.6 | Very low | 56.3 | Low | 134 Ų | 134 | 119.8 Ų | 119.8 | 70% | 0.702 | 60% | 0.602 | S | S | * | * | trans | -71.4 | 78.5 | 177.5 | -70.6 | 176 | 0 | 0 | 0 | 109.2 | K86 | L84-K86 PolarHBondContact O-N 2.81Å; L84-K86 VanDerWaalsContact O-N 3.16Å | ||
| 85 | S | 57.8 | Low | 57 | Low | 59 Ų | 59 | 121.7 Ų | 121.7 | 41% | 0.413 | 59% | 0.593 | S | S | . | * | trans | -60.3 | 109.9 | 175.3 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | T83 R87 S88 | T83-S85 PolarHBondContact O-N 3.32Å; S85-R87 PolarHBondContact OG-N 3.2Å; S85-S88 PolarHBondContact OG-N 3.21Å | ||
| 86 | K | 49.2 | Very low | 57.8 | Low | 207 Ų | 207 | 123.1 Ų | 123.1 | 90% | 0.9 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -108.8 | 46.8 | 142.1 | -72.3 | -174.4 | 178.1 | 179.7 | 0 | 109.3 | L84 | L84-K86 PolarHBondContact O-N 2.81Å; L84-K86 VanDerWaalsContact O-N 3.16Å |
| 87 | R | 51.9 | Low | 58.6 | Low | 131 Ų | 131 | 116.5 Ų | 116.5 | 49% | 0.494 | 58% | 0.576 | S | S | . | * | trans | -129.9 | -17.7 | 175.1 | -102.1 | -179.3 | 177.3 | 169.6 | -3.4 | 115.5 | S85 A89 L90 D91 | S85-R87 PolarHBondContact OG-N 3.2Å; R87-A89 PolarHBondContact O-N 3.03Å; R87-L90 PolarHBondContact O-N 2.86Å; R87-D91 WeakPolarHBondContact O-CB 3.47Å; R87-D91 PolarHBondContact O-N 3.29Å | ||
| 88 | S | 54.8 | Low | 59.2 | Low | 71 Ų | 71 | 116.1 Ų | 116.1 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.2 | -37.7 | -173.9 | 66.3 | 0 | 0 | 0 | 0 | 114.1 | S85 E92 | S85-S88 PolarHBondContact OG-N 3.21Å; S88-E92 WeakPolarHBondContact O-CB 3.44Å; S88-E92 WeakPolarHBondContact O-CG 3.23Å; S88-E92 PolarHBondContact O-N 3.1Å |
| 89 | A | 58.6 | Low | 60.1 | Low | 64 Ų | 64 | 117.3 Ų | 117.3 | 53% | 0.529 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -75 | -24.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R87 K93 | R87-A89 PolarHBondContact O-N 3.03Å; A89-K93 WeakPolarHBondContact O-CB 3.38Å; A89-K93 WeakPolarHBondContact O-CD 3.4Å; A89-K93 WeakPolarHBondContact O-CG 3.47Å; A89-K93 PolarHBondContact O-N 3.18Å |
| 90 | L | 57.4 | Low | 60.7 | Low | 109 Ų | 109 | 115.9 Ų | 115.9 | 57% | 0.571 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -86.2 | -37.4 | 175.9 | -69.9 | 178.3 | 0 | 0 | 0 | 111.2 | R87 K93 Q94 | R87-L90 PolarHBondContact O-N 2.86Å; L90-K93 PolarHBondContact O-N 2.82Å; L90-Q94 WeakPolarHBondContact O-CB 3.04Å; L90-Q94 VanDerWaalsContact O-CG 3.23Å; L90-Q94 WeakPolarHBondContact O-CG 3.25Å; L90-Q94 PolarHBondContact O-N 2.93Å |
| 91 | D | 59.5 | Low | 61.7 | Low | 66 Ų | 66 | 112.5 Ų | 112.5 | 35% | 0.353 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70 | -38 | 175.1 | -87.4 | 7.3 | 0 | 0 | 0 | 112.4 | R87 Q94 R95 | R87-D91 WeakPolarHBondContact O-CB 3.47Å; R87-D91 PolarHBondContact O-N 3.29Å; D91-Q94 PolarHBondContact O-N 3.4Å; D91-R95 WeakPolarHBondContact O-CB 3.49Å; D91-R95 VanDerWaalsContact O-CG 3.31Å; D91-R95 WeakPolarHBondContact O-CG 3.48Å; D91-R95 PolarHBondContact O-N 2.83Å |
| 92 | E | 61.5 | Low | 62.6 | Low | 120 Ų | 120 | 115.7 Ų | 115.7 | 56% | 0.561 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.6 | -36.3 | 173.2 | -80.4 | -173.5 | -177.7 | 0 | 0 | 112.2 | S88 K96 | S88-E92 WeakPolarHBondContact O-CB 3.44Å; S88-E92 WeakPolarHBondContact O-CG 3.23Å; S88-E92 PolarHBondContact O-N 3.1Å; E92-K96 WeakPolarHBondContact O-CB 3.37Å; E92-K96 VanDerWaalsContact O-CG 3.28Å; E92-K96 WeakPolarHBondContact O-CG 3.29Å; E92-K96 PolarHBondContact O-N 3.45Å |
| 93 | K | 64.3 | Low | 63.2 | Low | 131 Ų | 131 | 109.4 Ų | 109.4 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67 | -41 | 172.3 | -78.5 | -179.6 | 179.3 | -171.5 | 0 | 111.3 | A89 L90 K96 E97 | A89-K93 WeakPolarHBondContact O-CB 3.38Å; A89-K93 WeakPolarHBondContact O-CD 3.4Å; A89-K93 WeakPolarHBondContact O-CG 3.47Å; A89-K93 PolarHBondContact O-N 3.18Å; L90-K93 PolarHBondContact O-N 2.82Å; K93-K96 PolarHBondContact O-N 2.75Å; K93-E97 VanDerWaalsContact O-CB 3.28Å; K93-E97 WeakPolarHBondContact O-CB 3.3Å; K93-E97 VanDerWaalsContact O-CG 3.25Å; K93-E97 WeakPolarHBondContact O-CG 3.46Å; K93-E97 PolarHBondContact O-N 2.86Å |
| 94 | Q | 63.3 | Low | 64.3 | Low | 101 Ų | 101 | 111.8 Ų | 111.8 | 47% | 0.472 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 175.7 | -76 | 177 | 1.5 | 0 | 0 | 112.5 | L90 D91 E97 E98 | L90-Q94 WeakPolarHBondContact O-CB 3.04Å; L90-Q94 VanDerWaalsContact O-CG 3.23Å; L90-Q94 WeakPolarHBondContact O-CG 3.25Å; L90-Q94 PolarHBondContact O-N 2.93Å; D91-Q94 PolarHBondContact O-N 3.4Å; Q94-E97 PolarHBondContact O-N 3.36Å; Q94-E98 VanDerWaalsContact O-CB 3.24Å; Q94-E98 WeakPolarHBondContact O-CB 3.23Å; Q94-E98 WeakPolarHBondContact O-CG 3.26Å; Q94-E98 PolarHBondContact O-N 2.9Å |
| 95 | R | 65.4 | Low | 65.6 | Low | 168 Ų | 168 | 109.9 Ų | 109.9 | 63% | 0.634 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.2 | -42.5 | 173.8 | -75 | 179.2 | -175.5 | -168.4 | 2.9 | 112.1 | D91 E98 E99 | D91-R95 WeakPolarHBondContact O-CB 3.49Å; D91-R95 VanDerWaalsContact O-CG 3.31Å; D91-R95 WeakPolarHBondContact O-CG 3.48Å; D91-R95 PolarHBondContact O-N 2.83Å; R95-E98 PolarHBondContact O-N 3.22Å; R95-E99 WeakPolarHBondContact O-CB 3.47Å; R95-E99 WeakPolarHBondContact O-CG 3.32Å; R95-E99 PolarHBondContact O-N 2.98Å |
| 96 | K | 65.8 | Low | 66.6 | Low | 122 Ų | 122 | 112.3 Ų | 112.3 | 53% | 0.53 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 173.5 | -73.7 | 172.7 | -179.5 | 173.1 | 0 | 111.6 | E92 K93 E98 E99 E100 | E92-K96 WeakPolarHBondContact O-CB 3.37Å; E92-K96 VanDerWaalsContact O-CG 3.28Å; E92-K96 WeakPolarHBondContact O-CG 3.29Å; E92-K96 PolarHBondContact O-N 3.45Å; K93-K96 PolarHBondContact O-N 2.75Å; K96-E98 VanDerWaalsContact C-N 3.34Å; K96-E98 PolarHBondContact O-N 3.48Å; K96-E99 PolarHBondContact O-N 3.32Å; K96-E100 WeakPolarHBondContact O-CB 3.35Å; K96-E100 VanDerWaalsContact O-CG 3.29Å; K96-E100 WeakPolarHBondContact O-CG 3.45Å; K96-E100 PolarHBondContact O-N 3.33Å |
| 97 | E | 70.3 | Confident | 68.1 | Low | 90 Ų | 90 | 110.5 Ų | 110.5 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -34.7 | 173.5 | -77.8 | 177.7 | -159.4 | 0 | 0 | 112.5 | K93 Q94 K101 | K93-E97 VanDerWaalsContact O-CB 3.28Å; K93-E97 WeakPolarHBondContact O-CB 3.3Å; K93-E97 VanDerWaalsContact O-CG 3.25Å; K93-E97 WeakPolarHBondContact O-CG 3.46Å; K93-E97 PolarHBondContact O-N 2.86Å; Q94-E97 PolarHBondContact O-N 3.36Å; E97-K101 VanDerWaalsContact O-CB 3.27Å; E97-K101 WeakPolarHBondContact O-CB 3.45Å; E97-K101 WeakPolarHBondContact O-CD 3.42Å; E97-K101 WeakPolarHBondContact O-CG 3.41Å; E97-K101 PolarHBondContact O-N 3.15Å; E97-K101 IonicContact OE2-NZ 2.65Å |
| 98 | E | 70.3 | Confident | 69.6 | Low | 101 Ų | 101 | 107.7 Ų | 107.7 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.9 | -36.1 | 175.1 | -81.2 | -179.6 | -175.3 | 0 | 0 | 112.2 | Q94 R95 K96 K102 | Q94-E98 VanDerWaalsContact O-CB 3.24Å; Q94-E98 WeakPolarHBondContact O-CB 3.23Å; Q94-E98 WeakPolarHBondContact O-CG 3.26Å; Q94-E98 PolarHBondContact O-N 2.9Å; R95-E98 PolarHBondContact O-N 3.22Å; K96-E98 VanDerWaalsContact C-N 3.34Å; K96-E98 PolarHBondContact O-N 3.48Å; E98-K102 WeakPolarHBondContact O-CB 3.22Å; E98-K102 WeakPolarHBondContact O-CG 3.47Å; E98-K102 PolarHBondContact O-N 2.86Å |
| 99 | E | 71.1 | Confident | 71 | Confident | 120 Ų | 120 | 112 Ų | 112 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.9 | -42.9 | 171.7 | -75.8 | 174.1 | 179.9 | 0 | 0 | 111.1 | R95 K96 K102 V103 | R95-E99 WeakPolarHBondContact O-CB 3.47Å; R95-E99 WeakPolarHBondContact O-CG 3.32Å; R95-E99 PolarHBondContact O-N 2.98Å; K96-E99 PolarHBondContact O-N 3.32Å; E99-K102 WeakPolarHBondContact O-CB 3.46Å; E99-K102 PolarHBondContact O-N 3.48Å; E99-V103 VanDerWaalsContact O-CG2 3.31Å; E99-V103 WeakPolarHBondContact O-CG2 3.35Å; E99-V103 PolarHBondContact O-N 3.24Å |
| 100 | E | 72.4 | Confident | 72.2 | Confident | 132 Ų | 132 | 115.3 Ų | 115.3 | 62% | 0.617 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.4 | -43.3 | 172.1 | -74.7 | 174.4 | -179 | 0 | 0 | 111.4 | K96 K102 V103 E104 | K96-E100 WeakPolarHBondContact O-CB 3.35Å; K96-E100 VanDerWaalsContact O-CG 3.29Å; K96-E100 WeakPolarHBondContact O-CG 3.45Å; K96-E100 PolarHBondContact O-N 3.33Å; E100-K102 PolarHBondContact O-N 2.86Å; E100-V103 PolarHBondContact O-N 3Å; E100-E104 VanDerWaalsContact O-CB 3.29Å; E100-E104 WeakPolarHBondContact O-CB 3.34Å; E100-E104 PolarHBondContact O-N 3.34Å |
| 101 | K | 74.5 | Confident | 73.5 | Confident | 113 Ų | 113 | 114.6 Ų | 114.6 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 172.7 | -75.4 | 163.5 | -171.3 | 159.9 | 0 | 112.2 | E97 E104 M105 | E97-K101 VanDerWaalsContact O-CB 3.27Å; E97-K101 WeakPolarHBondContact O-CB 3.45Å; E97-K101 WeakPolarHBondContact O-CD 3.42Å; E97-K101 WeakPolarHBondContact O-CG 3.41Å; E97-K101 PolarHBondContact O-N 3.15Å; E97-K101 IonicContact OE2-NZ 2.65Å; K101-E104 PolarHBondContact O-N 2.86Å; K101-M105 VanDerWaalsContact O-CB 3.28Å; K101-M105 WeakPolarHBondContact O-CB 3.4Å; K101-M105 WeakPolarHBondContact O-CG 3.5Å; K101-M105 PolarHBondContact O-N 3.37Å |
| 102 | K | 75.3 | Confident | 74.8 | Confident | 127 Ų | 127 | 118.3 Ų | 118.3 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.7 | -43.8 | 174.9 | -78.2 | 167.2 | -172.9 | 170.3 | 0 | 111.3 | E98 E99 E100 E104 M105 E106 | E98-K102 WeakPolarHBondContact O-CB 3.22Å; E98-K102 WeakPolarHBondContact O-CG 3.47Å; E98-K102 PolarHBondContact O-N 2.86Å; E99-K102 WeakPolarHBondContact O-CB 3.46Å; E99-K102 PolarHBondContact O-N 3.48Å; E100-K102 PolarHBondContact O-N 2.86Å; K102-E104 VanDerWaalsContact C-N 3.33Å; K102-M105 PolarHBondContact O-N 3.27Å; K102-E106 WeakPolarHBondContact O-CB 3.44Å; K102-E106 WeakPolarHBondContact O-CG 3.38Å; K102-E106 PolarHBondContact O-N 2.97Å |
| 103 | V | 79.1 | Confident | 75.9 | Confident | 69 Ų | 69 | 118 Ų | 118 | 42% | 0.418 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 175.6 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | E99 E100 E106 R107 | E99-V103 VanDerWaalsContact O-CG2 3.31Å; E99-V103 WeakPolarHBondContact O-CG2 3.35Å; E99-V103 PolarHBondContact O-N 3.24Å; E100-V103 PolarHBondContact O-N 3Å; V103-E106 PolarHBondContact O-N 3.44Å; V103-R107 VanDerWaalsContact O-CG 3.28Å; V103-R107 WeakPolarHBondContact O-CG 3.37Å; V103-R107 PolarHBondContact O-N 3.28Å |
| 104 | E | 79.8 | Confident | 77 | Confident | 112 Ų | 112 | 115.1 Ų | 115.1 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 175.3 | -168 | 173.5 | -170.9 | 0 | 0 | 111.8 | E100 K101 K102 E106 R107 Q108 | E100-E104 VanDerWaalsContact O-CB 3.29Å; E100-E104 WeakPolarHBondContact O-CB 3.34Å; E100-E104 PolarHBondContact O-N 3.34Å; K101-E104 PolarHBondContact O-N 2.86Å; K102-E104 VanDerWaalsContact C-N 3.33Å; E104-E106 VanDerWaalsContact C-N 3.35Å; E104-E106 PolarHBondContact O-N 2.87Å; E104-R107 WeakPolarHBondContact O-CB 3.3Å; E104-R107 PolarHBondContact O-N 2.88Å; E104-Q108 WeakPolarHBondContact O-CG 3.42Å; E104-Q108 PolarHBondContact O-N 2.93Å |
| 105 | M | 74.4 | Confident | 78.1 | Confident | 95 Ų | 95 | 114.5 Ų | 114.5 | 47% | 0.468 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65 | -36.3 | 173.5 | -73.6 | -68.1 | -67 | 0 | 0 | 112.5 | K101 K102 Q108 R109 | K101-M105 VanDerWaalsContact O-CB 3.28Å; K101-M105 WeakPolarHBondContact O-CB 3.4Å; K101-M105 WeakPolarHBondContact O-CG 3.5Å; K101-M105 PolarHBondContact O-N 3.37Å; K102-M105 PolarHBondContact O-N 3.27Å; M105-Q108 PolarHBondContact O-N 3.46Å; M105-R109 VanDerWaalsContact O-CG 3.3Å; M105-R109 WeakPolarHBondContact O-CG 3.47Å; M105-R109 PolarHBondContact O-N 2.85Å |
| 106 | E | 79.1 | Confident | 79.2 | Confident | 109 Ų | 109 | 111.3 Ų | 111.3 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.4 | -38.8 | 172.9 | -78 | -174.8 | 177 | 0 | 0 | 112.2 | K102 V103 E104 R109 K110 | K102-E106 WeakPolarHBondContact O-CB 3.44Å; K102-E106 WeakPolarHBondContact O-CG 3.38Å; K102-E106 PolarHBondContact O-N 2.97Å; V103-E106 PolarHBondContact O-N 3.44Å; E104-E106 VanDerWaalsContact C-N 3.35Å; E104-E106 PolarHBondContact O-N 2.87Å; E106-R109 PolarHBondContact O-N 3.34Å; E106-K110 WeakPolarHBondContact O-CG 3.48Å; E106-K110 PolarHBondContact O-N 3.19Å |
| 107 | R | 81.8 | Confident | 80 | Confident | 169 Ų | 169 | 111.1 Ų | 111.1 | 64% | 0.638 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62 | -45.1 | 171.4 | -73.7 | 173.5 | -179 | -174.1 | 1.2 | 111 | V103 E104 R109 K110 I111 | V103-R107 VanDerWaalsContact O-CG 3.28Å; V103-R107 WeakPolarHBondContact O-CG 3.37Å; V103-R107 PolarHBondContact O-N 3.28Å; E104-R107 WeakPolarHBondContact O-CB 3.3Å; E104-R107 PolarHBondContact O-N 2.88Å; R107-R109 VanDerWaalsContact C-N 3.33Å; R107-R109 PolarHBondContact O-N 3.5Å; R107-K110 PolarHBondContact O-N 2.83Å; R107-I111 VanDerWaalsContact O-CG1 3.27Å; R107-I111 WeakPolarHBondContact O-CG1 3.47Å; R107-I111 PolarHBondContact O-N 3.48Å |
| 108 | Q | 82.4 | Confident | 80.8 | Confident | 73 Ų | 73 | 111.8 Ų | 111.8 | 34% | 0.341 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 175.6 | -72.6 | -179.6 | 13.4 | 0 | 0 | 112.6 | E104 M105 R112 | E104-Q108 WeakPolarHBondContact O-CG 3.42Å; E104-Q108 PolarHBondContact O-N 2.93Å; M105-Q108 PolarHBondContact O-N 3.46Å; Q108-R112 WeakPolarHBondContact O-CB 3.33Å; Q108-R112 VanDerWaalsContact O-CG 3.27Å; Q108-R112 WeakPolarHBondContact O-CG 3.4Å; Q108-R112 PolarHBondContact O-N 3.44Å |
| 109 | R | 83.9 | Confident | 81.6 | Confident | 162 Ų | 162 | 112.5 Ų | 112.5 | 61% | 0.611 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.9 | -42.8 | 174.3 | -76.7 | 174.5 | 179.4 | -169.7 | 0.4 | 112 | M105 E106 R107 R112 Q113 | M105-R109 VanDerWaalsContact O-CG 3.3Å; M105-R109 WeakPolarHBondContact O-CG 3.47Å; M105-R109 PolarHBondContact O-N 2.85Å; E106-R109 PolarHBondContact O-N 3.34Å; R107-R109 VanDerWaalsContact C-N 3.33Å; R107-R109 PolarHBondContact O-N 3.5Å; R109-R112 PolarHBondContact O-N 2.98Å; R109-Q113 WeakPolarHBondContact O-CG 3.42Å; R109-Q113 PolarHBondContact O-N 3.27Å |
| 110 | K | 84.4 | Confident | 82.6 | Confident | 133 Ų | 133 | 111.3 Ų | 111.3 | 58% | 0.578 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.5 | -42.8 | 176.2 | -73 | 174.6 | -179.8 | 176.3 | 0 | 111.6 | E106 R107 R112 Q113 V114 | E106-K110 WeakPolarHBondContact O-CG 3.48Å; E106-K110 PolarHBondContact O-N 3.19Å; R107-K110 PolarHBondContact O-N 2.83Å; K110-R112 PolarHBondContact O-N 2.88Å; K110-Q113 PolarHBondContact O-N 3.36Å; K110-V114 WeakPolarHBondContact O-CG2 3.4Å; K110-V114 PolarHBondContact O-N 2.88Å |
| 111 | I | 85.2 | Confident | 83.4 | Confident | 93 Ų | 93 | 109.9 Ų | 109.9 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.6 | -46.7 | 174.8 | -68 | 163.1 | 0 | 0 | 0 | 110.4 | R107 Q113 V114 E115 | R107-I111 VanDerWaalsContact O-CG1 3.27Å; R107-I111 WeakPolarHBondContact O-CG1 3.47Å; R107-I111 PolarHBondContact O-N 3.48Å; I111-Q113 VanDerWaalsContact C-N 3.3Å; I111-Q113 PolarHBondContact O-N 3.5Å; I111-V114 PolarHBondContact O-N 2.95Å; I111-E115 HydrophobicContact CG2-CG 4.34Å; I111-E115 WeakPolarHBondContact CG2-OE1 3.33Å; I111-E115 WeakPolarHBondContact O-CB 3.35Å; I111-E115 WeakPolarHBondContact O-CG 3.4Å; I111-E115 PolarHBondContact O-N 3.33Å |
| 112 | R | 85.5 | Confident | 84 | Confident | 144 Ų | 144 | 110.4 Ų | 110.4 | 54% | 0.543 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -35.3 | 176.6 | -72.2 | 175.3 | -169.6 | -178.8 | 6 | 113.3 | Q108 R109 K110 I116 | Q108-R112 WeakPolarHBondContact O-CB 3.33Å; Q108-R112 VanDerWaalsContact O-CG 3.27Å; Q108-R112 WeakPolarHBondContact O-CG 3.4Å; Q108-R112 PolarHBondContact O-N 3.44Å; R109-R112 PolarHBondContact O-N 2.98Å; K110-R112 PolarHBondContact O-N 2.88Å; R112-I116 WeakPolarHBondContact O-CD1 3.41Å; R112-I116 WeakPolarHBondContact O-CG1 3.49Å; R112-I116 PolarHBondContact O-N 2.86Å; R112-I116 VanDerWaalsContact O-N 3.07Å |
| 113 | Q | 85.1 | Confident | 84.6 | Confident | 115 Ų | 115 | 109 Ų | 109 | 54% | 0.537 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67 | -47 | 175.8 | -76.7 | 173.4 | -18.7 | 0 | 0 | 111 | R109 K110 I111 E115 I116 E117 | R109-Q113 WeakPolarHBondContact O-CG 3.42Å; R109-Q113 PolarHBondContact O-N 3.27Å; K110-Q113 PolarHBondContact O-N 3.36Å; I111-Q113 VanDerWaalsContact C-N 3.3Å; I111-Q113 PolarHBondContact O-N 3.5Å; Q113-E115 VanDerWaalsContact C-N 3.34Å; Q113-E115 PolarHBondContact O-N 2.91Å; Q113-I116 PolarHBondContact O-N 3.47Å; Q113-I116 VanDerWaalsContact O-N 3.15Å; Q113-E117 WeakPolarHBondContact O-CG 3.39Å; Q113-E117 PolarHBondContact O-N 3.14Å |
| 114 | V | 88.3 | Confident | 85 | Confident | 70 Ų | 70 | 110.6 Ų | 110.6 | 42% | 0.424 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 175.6 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | K110 I111 I116 E117 E118 | K110-V114 WeakPolarHBondContact O-CG2 3.4Å; K110-V114 PolarHBondContact O-N 2.88Å; I111-V114 PolarHBondContact O-N 2.95Å; V114-I116 VanDerWaalsContact C-N 3.29Å; V114-I116 PolarHBondContact O-N 2.86Å; V114-E117 PolarHBondContact O-N 3.38Å; V114-E118 HydrophobicContact CG1-CG 4.18Å; V114-E118 WeakPolarHBondContact O-CB 3.29Å; V114-E118 VanDerWaalsContact O-CG 3.3Å; V114-E118 WeakPolarHBondContact O-CG 3.43Å; V114-E118 PolarHBondContact O-N 3.35Å |
| 115 | E | 86.1 | Confident | 85.5 | Confident | 87 Ų | 87 | 108.5 Ų | 108.5 | 41% | 0.407 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.7 | -33.9 | 175.7 | -74.6 | 174.9 | -170.5 | 0 | 0 | 113.2 | I111 Q113 K119 | I111-E115 HydrophobicContact CG2-CG 4.34Å; I111-E115 WeakPolarHBondContact CG2-OE1 3.33Å; I111-E115 WeakPolarHBondContact O-CB 3.35Å; I111-E115 WeakPolarHBondContact O-CG 3.4Å; I111-E115 PolarHBondContact O-N 3.33Å; Q113-E115 VanDerWaalsContact C-N 3.34Å; Q113-E115 PolarHBondContact O-N 2.91Å; E115-K119 WeakPolarHBondContact O-CB 3.39Å; E115-K119 WeakPolarHBondContact O-CD 3.39Å; E115-K119 WeakPolarHBondContact O-CG 3.34Å; E115-K119 PolarHBondContact O-N 2.87Å; E115-K119 VanDerWaalsContact O-N 3.09Å |
| 116 | I | 87.3 | Confident | 86.3 | Confident | 101 Ų | 101 | 106.8 Ų | 106.8 | 52% | 0.518 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.2 | -43.3 | 176.5 | -71.1 | 163.6 | 0 | 0 | 0 | 110.1 | R112 Q113 V114 K119 L120 | R112-I116 WeakPolarHBondContact O-CD1 3.41Å; R112-I116 WeakPolarHBondContact O-CG1 3.49Å; R112-I116 PolarHBondContact O-N 2.86Å; R112-I116 VanDerWaalsContact O-N 3.07Å; Q113-I116 PolarHBondContact O-N 3.47Å; Q113-I116 VanDerWaalsContact O-N 3.15Å; V114-I116 VanDerWaalsContact C-N 3.29Å; V114-I116 PolarHBondContact O-N 2.86Å; I116-K119 PolarHBondContact O-N 2.9Å; I116-L120 HydrophobicContact CG2-CD1 4.2Å; I116-L120 VanDerWaalsContact O-CG 3.31Å; I116-L120 WeakPolarHBondContact O-CG 3.48Å; I116-L120 PolarHBondContact O-N 3.42Å |
| 117 | E | 83.9 | Confident | 87 | Confident | 118 Ų | 118 | 108.4 Ų | 108.4 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.4 | -42.9 | 177.1 | -71.7 | 174.6 | -174.4 | 0 | 0 | 111.5 | Q113 V114 L120 I121 | Q113-E117 WeakPolarHBondContact O-CG 3.39Å; Q113-E117 PolarHBondContact O-N 3.14Å; V114-E117 PolarHBondContact O-N 3.38Å; E117-L120 PolarHBondContact O-N 2.94Å; E117-I121 VanDerWaalsContact O-CG1 3.3Å; E117-I121 WeakPolarHBondContact O-CG1 3.35Å; E117-I121 PolarHBondContact O-N 2.65Å |
| 118 | E | 86.8 | Confident | 87.4 | Confident | 105 Ų | 105 | 107.8 Ų | 107.8 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.5 | -46 | 174.1 | -75.6 | 176.3 | 170 | 0 | 0 | 111.2 | V114 L120 I121 E122 | V114-E118 HydrophobicContact CG1-CG 4.18Å; V114-E118 WeakPolarHBondContact O-CB 3.29Å; V114-E118 VanDerWaalsContact O-CG 3.3Å; V114-E118 WeakPolarHBondContact O-CG 3.43Å; V114-E118 PolarHBondContact O-N 3.35Å; E118-L120 VanDerWaalsContact C-N 3.32Å; E118-L120 PolarHBondContact O-N 2.87Å; E118-I121 PolarHBondContact O-N 2.91Å; E118-E122 WeakPolarHBondContact O-CB 3.28Å; E118-E122 WeakPolarHBondContact O-CG 3.42Å; E118-E122 PolarHBondContact O-N 3.48Å |
| 119 | K | 87.8 | Confident | 88 | Confident | 116 Ų | 116 | 108.6 Ų | 108.6 | 50% | 0.504 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 175.2 | -77 | 169.5 | -174.5 | 167.4 | 0 | 113 | E115 I116 E122 E123 | E115-K119 WeakPolarHBondContact O-CB 3.39Å; E115-K119 WeakPolarHBondContact O-CD 3.39Å; E115-K119 WeakPolarHBondContact O-CG 3.34Å; E115-K119 PolarHBondContact O-N 2.87Å; E115-K119 VanDerWaalsContact O-N 3.09Å; I116-K119 PolarHBondContact O-N 2.9Å; K119-E122 PolarHBondContact O-N 3.35Å; K119-E123 WeakPolarHBondContact O-CB 3.33Å; K119-E123 VanDerWaalsContact O-CG 3.3Å; K119-E123 WeakPolarHBondContact O-CG 3.39Å; K119-E123 PolarHBondContact O-N 3.26Å |
| 120 | L | 91 | Very high | 88.3 | Confident | 94 Ų | 94 | 107.5 Ų | 107.5 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 176.1 | -72.7 | 169.6 | 0 | 0 | 0 | 111.5 | I116 E117 E118 E123 E124 | I116-L120 HydrophobicContact CG2-CD1 4.2Å; I116-L120 VanDerWaalsContact O-CG 3.31Å; I116-L120 WeakPolarHBondContact O-CG 3.48Å; I116-L120 PolarHBondContact O-N 3.42Å; E117-L120 PolarHBondContact O-N 2.94Å; E118-L120 VanDerWaalsContact C-N 3.32Å; E118-L120 PolarHBondContact O-N 2.87Å; L120-E123 PolarHBondContact O-N 3.18Å; L120-E124 WeakPolarHBondContact O-CB 3.3Å; L120-E124 WeakPolarHBondContact O-CG 3.47Å; L120-E124 PolarHBondContact O-N 2.94Å |
| 121 | I | 89 | Confident | 88.6 | Confident | 103 Ų | 103 | 106.4 Ų | 106.4 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.7 | -41.4 | 176.1 | -65 | 163.8 | 0 | 0 | 0 | 110.8 | E117 E118 E124 T125 | E117-I121 VanDerWaalsContact O-CG1 3.3Å; E117-I121 WeakPolarHBondContact O-CG1 3.35Å; E117-I121 PolarHBondContact O-N 2.65Å; E118-I121 PolarHBondContact O-N 2.91Å; I121-E124 PolarHBondContact O-N 3.32Å; I121-T125 HydrophobicContact CG2-CG2 4.39Å; I121-T125 WeakPolarHBondContact O-CB 3.35Å; I121-T125 VanDerWaalsContact O-CG2 3.26Å; I121-T125 WeakPolarHBondContact O-CG2 3.35Å; I121-T125 PolarHBondContact O-N 3.47Å; I121-T125 PolarHBondContact O-OG1 3.36Å |
| 122 | E | 87.1 | Confident | 89 | Confident | 124 Ų | 124 | 106.4 Ų | 106.4 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.4 | -43.3 | 173.8 | -74.3 | 178.5 | 174.8 | 0 | 0 | 111.5 | E118 K119 T125 A126 | E118-E122 WeakPolarHBondContact O-CB 3.28Å; E118-E122 WeakPolarHBondContact O-CG 3.42Å; E118-E122 PolarHBondContact O-N 3.48Å; K119-E122 PolarHBondContact O-N 3.35Å; E122-T125 WeakPolarHBondContact CA-OG1 3.36Å; E122-T125 PolarHBondContact O-N 3.08Å; E122-T125 PolarHBondContact O-OG1 3.4Å; E122-A126 WeakPolarHBondContact O-CB 3.47Å; E122-A126 PolarHBondContact O-N 2.99Å |
| 123 | E | 88.3 | Confident | 89.3 | Confident | 97 Ų | 97 | 103.3 Ų | 103.3 | 45% | 0.453 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 174.7 | -77.5 | -176 | -161.6 | 0 | 0 | 112.1 | K119 L120 T125 A126 R127 | K119-E123 WeakPolarHBondContact O-CB 3.33Å; K119-E123 VanDerWaalsContact O-CG 3.3Å; K119-E123 WeakPolarHBondContact O-CG 3.39Å; K119-E123 PolarHBondContact O-N 3.26Å; L120-E123 PolarHBondContact O-N 3.18Å; E123-T125 VanDerWaalsContact C-N 3.35Å; E123-A126 PolarHBondContact O-N 2.82Å; E123-R127 WeakPolarHBondContact O-CB 3.33Å; E123-R127 WeakPolarHBondContact O-CG 3.47Å; E123-R127 PolarHBondContact O-N 3.45Å; E123-R127 IonicContact OE2-NH2 3.74Å; E123-R127 PolarHBondContact OE2-NH2 3.42Å |
| 124 | E | 87.6 | Confident | 89.7 | Confident | 102 Ų | 102 | 100.3 Ų | 100.3 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 176.8 | -78.7 | -172 | -175.8 | 0 | 0 | 112.3 | L120 I121 R127 R128 | L120-E124 WeakPolarHBondContact O-CB 3.3Å; L120-E124 WeakPolarHBondContact O-CG 3.47Å; L120-E124 PolarHBondContact O-N 2.94Å; I121-E124 PolarHBondContact O-N 3.32Å; E124-R127 PolarHBondContact O-N 3.29Å; E124-R128 WeakPolarHBondContact O-CG 3.32Å; E124-R128 PolarHBondContact O-N 3.25Å; E124-R128 IonicContact OE2-NH2 3.27Å |
| 125 | T | 89.9 | Confident | 90 | Very high | 69 Ų | 69 | 102.1 Ų | 102.1 | 42% | 0.423 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.9 | -41.6 | 176.6 | 52.8 | 0 | 0 | 0 | 0 | 111.4 | I121 E122 E123 R127 R128 V129 | I121-T125 HydrophobicContact CG2-CG2 4.39Å; I121-T125 WeakPolarHBondContact O-CB 3.35Å; I121-T125 VanDerWaalsContact O-CG2 3.26Å; I121-T125 WeakPolarHBondContact O-CG2 3.35Å; I121-T125 PolarHBondContact O-N 3.47Å; I121-T125 PolarHBondContact O-OG1 3.36Å; E122-T125 WeakPolarHBondContact CA-OG1 3.36Å; E122-T125 PolarHBondContact O-N 3.08Å; E122-T125 PolarHBondContact O-OG1 3.4Å; E123-T125 VanDerWaalsContact C-N 3.35Å; T125-R127 VanDerWaalsContact C-N 3.34Å; T125-R127 PolarHBondContact O-N 3.46Å; T125-R128 PolarHBondContact O-N 2.86Å; T125-V129 WeakPolarHBondContact O-CG2 3.33Å; T125-V129 PolarHBondContact O-N 3.45Å |
| 126 | A | 92.1 | Very high | 90.3 | Very high | 58 Ų | 58 | 105.8 Ų | 105.8 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E122 E123 V129 E130 | E122-A126 WeakPolarHBondContact O-CB 3.47Å; E122-A126 PolarHBondContact O-N 2.99Å; E123-A126 PolarHBondContact O-N 2.82Å; A126-V129 PolarHBondContact O-N 3.31Å; A126-E130 WeakPolarHBondContact O-CB 3.5Å; A126-E130 PolarHBondContact O-N 3.36Å |
| 127 | R | 92.9 | Very high | 90.5 | Very high | 144 Ų | 144 | 104.2 Ų | 104.2 | 54% | 0.543 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 175.7 | -74.3 | 175.4 | -165.4 | -177.9 | 11.4 | 112.5 | E123 E124 T125 V129 E130 E131 | E123-R127 WeakPolarHBondContact O-CB 3.33Å; E123-R127 WeakPolarHBondContact O-CG 3.47Å; E123-R127 PolarHBondContact O-N 3.45Å; E123-R127 IonicContact OE2-NH2 3.74Å; E123-R127 PolarHBondContact OE2-NH2 3.42Å; E124-R127 PolarHBondContact O-N 3.29Å; T125-R127 VanDerWaalsContact C-N 3.34Å; T125-R127 PolarHBondContact O-N 3.46Å; R127-V129 VanDerWaalsContact C-N 3.33Å; R127-V129 PolarHBondContact O-N 2.9Å; R127-E130 PolarHBondContact O-N 3Å; R127-E131 WeakPolarHBondContact O-CB 3.31Å; R127-E131 WeakPolarHBondContact O-CG 3.43Å; R127-E131 PolarHBondContact O-N 2.88Å |
| 128 | R | 91.6 | Very high | 90.8 | Very high | 156 Ų | 156 | 103.8 Ų | 103.8 | 59% | 0.589 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.1 | -39.7 | 176.5 | -73 | 176.1 | -170.2 | 167.6 | 10.3 | 112.1 | E124 T125 L132 | E124-R128 WeakPolarHBondContact O-CG 3.32Å; E124-R128 PolarHBondContact O-N 3.25Å; E124-R128 IonicContact OE2-NH2 3.27Å; T125-R128 PolarHBondContact O-N 2.86Å; R128-L132 VanDerWaalsContact O-CG 3.27Å; R128-L132 WeakPolarHBondContact O-CG 3.4Å; R128-L132 PolarHBondContact O-N 2.96Å; R128-L132 VanDerWaalsContact O-N 3.08Å |
| 129 | V | 93.6 | Very high | 90.9 | Very high | 90 Ų | 90 | 103.8 Ų | 103.8 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.8 | -46.3 | 175.5 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | T125 A126 R127 E131 L132 V133 | T125-V129 WeakPolarHBondContact O-CG2 3.33Å; T125-V129 PolarHBondContact O-N 3.45Å; A126-V129 PolarHBondContact O-N 3.31Å; R127-V129 VanDerWaalsContact C-N 3.33Å; R127-V129 PolarHBondContact O-N 2.9Å; V129-E131 PolarHBondContact O-N 3.42Å; V129-L132 PolarHBondContact O-N 3.45Å; V129-V133 HydrophobicContact CG1-CG2 4.36Å; V129-V133 VanDerWaalsContact O-CG2 3.29Å; V129-V133 WeakPolarHBondContact O-CG2 3.36Å; V129-V133 PolarHBondContact O-N 2.86Å |
| 130 | E | 91 | Very high | 90.9 | Very high | 139 Ų | 139 | 103.7 Ų | 103.7 | 65% | 0.65 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.8 | -45.2 | 177.2 | -174.2 | 178.9 | -179.6 | 0 | 0 | 111.7 | A126 R127 L132 V133 A134 | A126-E130 WeakPolarHBondContact O-CB 3.5Å; A126-E130 PolarHBondContact O-N 3.36Å; R127-E130 PolarHBondContact O-N 3Å; E130-L132 PolarHBondContact O-N 3.22Å; E130-V133 PolarHBondContact O-N 3.38Å; E130-A134 VanDerWaalsContact O-CB 3.27Å; E130-A134 WeakPolarHBondContact O-CB 3.4Å; E130-A134 PolarHBondContact O-N 2.84Å |
| 131 | E | 91.6 | Very high | 90.9 | Very high | 109 Ų | 109 | 103.3 Ų | 103.3 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 176.5 | -75.9 | -179 | -164.5 | 0 | 0 | 112.8 | R127 V129 V133 A134 K135 | R127-E131 WeakPolarHBondContact O-CB 3.31Å; R127-E131 WeakPolarHBondContact O-CG 3.43Å; R127-E131 PolarHBondContact O-N 2.88Å; V129-E131 PolarHBondContact O-N 3.42Å; E131-V133 VanDerWaalsContact C-N 3.35Å; E131-A134 PolarHBondContact O-N 2.98Å; E131-K135 WeakPolarHBondContact O-CB 3.26Å; E131-K135 WeakPolarHBondContact O-CG 3.46Å; E131-K135 PolarHBondContact O-N 3.29Å; E131-K135 IonicContact OE2-NZ 2.96Å |
| 132 | L | 92.2 | Very high | 90.9 | Very high | 94 Ų | 94 | 104.2 Ų | 104.2 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.3 | -37.7 | 177.2 | -73.2 | 172.3 | 0 | 0 | 0 | 111.7 | R128 V129 E130 R136 | R128-L132 VanDerWaalsContact O-CG 3.27Å; R128-L132 WeakPolarHBondContact O-CG 3.4Å; R128-L132 PolarHBondContact O-N 2.96Å; R128-L132 VanDerWaalsContact O-N 3.08Å; V129-L132 PolarHBondContact O-N 3.45Å; E130-L132 PolarHBondContact O-N 3.22Å; L132-R136 WeakPolarHBondContact O-CB 3.37Å; L132-R136 WeakPolarHBondContact O-CG 3.28Å; L132-R136 PolarHBondContact O-N 3.27Å; L132-R136 VanDerWaalsContact O-N 3.07Å |
| 133 | V | 93.1 | Very high | 91 | Very high | 78 Ų | 78 | 106 Ų | 106 | 47% | 0.473 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.2 | -47.7 | 174.5 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | V129 E130 E131 K135 R136 V137 | V129-V133 HydrophobicContact CG1-CG2 4.36Å; V129-V133 VanDerWaalsContact O-CG2 3.29Å; V129-V133 WeakPolarHBondContact O-CG2 3.36Å; V129-V133 PolarHBondContact O-N 2.86Å; E130-V133 PolarHBondContact O-N 3.38Å; E131-V133 VanDerWaalsContact C-N 3.35Å; V133-K135 PolarHBondContact O-N 2.83Å; V133-R136 PolarHBondContact O-N 3.42Å; V133-V137 HydrophobicContact CG1-CG2 4.27Å; V133-V137 WeakPolarHBondContact O-CB 3.4Å; V133-V137 VanDerWaalsContact O-CG2 3.28Å; V133-V137 WeakPolarHBondContact O-CG2 3.47Å; V133-V137 PolarHBondContact O-N 3.49Å |
| 134 | A | 93.3 | Very high | 91.2 | Very high | 52 Ų | 52 | 108.6 Ų | 108.6 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E130 E131 V137 E138 | E130-A134 VanDerWaalsContact O-CB 3.27Å; E130-A134 WeakPolarHBondContact O-CB 3.4Å; E130-A134 PolarHBondContact O-N 2.84Å; E131-A134 PolarHBondContact O-N 2.98Å; A134-V137 PolarHBondContact O-N 2.94Å; A134-E138 VanDerWaalsContact O-CB 3.26Å; A134-E138 WeakPolarHBondContact O-CB 3.28Å; A134-E138 PolarHBondContact O-N 3.42Å |
| 135 | K | 93.6 | Very high | 91.4 | Very high | 108 Ų | 108 | 108.6 Ų | 108.6 | 47% | 0.47 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 176.2 | -74.8 | 168.9 | -176.7 | 166 | 0 | 112.2 | E131 V133 E138 E139 | E131-K135 WeakPolarHBondContact O-CB 3.26Å; E131-K135 WeakPolarHBondContact O-CG 3.46Å; E131-K135 PolarHBondContact O-N 3.29Å; E131-K135 IonicContact OE2-NZ 2.96Å; V133-K135 PolarHBondContact O-N 2.83Å; K135-E138 PolarHBondContact O-N 2.87Å; K135-E139 WeakPolarHBondContact O-CG 3.33Å; K135-E139 PolarHBondContact O-N 3.45Å |
| 136 | R | 92.4 | Very high | 91.5 | Very high | 164 Ų | 164 | 109.9 Ų | 109.9 | 62% | 0.619 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.5 | -43 | 177 | -76.4 | 179.4 | -178.2 | 159.7 | 1.8 | 112.4 | L132 V133 E138 E139 E140 | L132-R136 WeakPolarHBondContact O-CB 3.37Å; L132-R136 WeakPolarHBondContact O-CG 3.28Å; L132-R136 PolarHBondContact O-N 3.27Å; L132-R136 VanDerWaalsContact O-N 3.07Å; V133-R136 PolarHBondContact O-N 3.42Å; R136-E138 VanDerWaalsContact C-N 3.33Å; R136-E139 PolarHBondContact O-N 2.98Å; R136-E140 WeakPolarHBondContact O-CB 3.49Å; R136-E140 WeakPolarHBondContact O-CG 3.33Å; R136-E140 PolarHBondContact O-N 2.87Å |
| 137 | V | 92.9 | Very high | 91.5 | Very high | 69 Ų | 69 | 112.6 Ų | 112.6 | 42% | 0.418 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 176.4 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | V133 A134 E140 L141 | V133-V137 HydrophobicContact CG1-CG2 4.27Å; V133-V137 WeakPolarHBondContact O-CB 3.4Å; V133-V137 VanDerWaalsContact O-CG2 3.28Å; V133-V137 WeakPolarHBondContact O-CG2 3.47Å; V133-V137 PolarHBondContact O-N 3.49Å; A134-V137 PolarHBondContact O-N 2.94Å; V137-E140 PolarHBondContact O-N 3.38Å; V137-L141 HydrophobicContact CG1-CD1 3.94Å; V137-L141 HydrophobicContact CG1-CG 4.3Å; V137-L141 WeakPolarHBondContact O-CB 3.28Å; V137-L141 VanDerWaalsContact O-CG 3.26Å; V137-L141 WeakPolarHBondContact O-CG 3.42Å; V137-L141 PolarHBondContact O-N 3.12Å |
| 138 | E | 88.6 | Confident | 91.4 | Very high | 109 Ų | 109 | 109.7 Ų | 109.7 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 177.4 | -176.4 | 166.9 | -151.9 | 0 | 0 | 111.9 | A134 K135 R136 L141 E142 R145 | A134-E138 VanDerWaalsContact O-CB 3.26Å; A134-E138 WeakPolarHBondContact O-CB 3.28Å; A134-E138 PolarHBondContact O-N 3.42Å; K135-E138 PolarHBondContact O-N 2.87Å; R136-E138 VanDerWaalsContact C-N 3.33Å; E138-L141 PolarHBondContact O-N 2.81Å; E138-E142 VanDerWaalsContact O-CB 3.25Å; E138-E142 WeakPolarHBondContact O-CB 3.23Å; E138-E142 PolarHBondContact O-N 2.93Å; E138-R145 IonicContact OE1-NH2 3.61Å |
| 139 | E | 89.2 | Confident | 91.5 | Very high | 105 Ų | 105 | 107.5 Ų | 107.5 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 174.7 | -72.5 | 172.8 | -168.8 | 0 | 0 | 112.4 | K135 R136 E142 K143 | K135-E139 WeakPolarHBondContact O-CG 3.33Å; K135-E139 PolarHBondContact O-N 3.45Å; R136-E139 PolarHBondContact O-N 2.98Å; E139-E142 PolarHBondContact O-N 3.28Å; E139-K143 WeakPolarHBondContact O-CG 3.46Å; E139-K143 PolarHBondContact O-N 3.46Å; E139-K143 VanDerWaalsContact O-N 3.09Å |
| 140 | E | 88.1 | Confident | 91.6 | Very high | 114 Ų | 114 | 110 Ų | 110 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 175.4 | -78.2 | -174.9 | -176 | 0 | 0 | 112.2 | R136 V137 R144 | R136-E140 WeakPolarHBondContact O-CB 3.49Å; R136-E140 WeakPolarHBondContact O-CG 3.33Å; R136-E140 PolarHBondContact O-N 2.87Å; V137-E140 PolarHBondContact O-N 3.38Å; E140-R144 PolarHBondContact O-N 3.3Å |
| 141 | L | 90.6 | Very high | 91.7 | Very high | 86 Ų | 86 | 107.9 Ų | 107.9 | 45% | 0.45 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 174 | -73.2 | 176.2 | 0 | 0 | 0 | 110.2 | V137 E138 K143 R144 R145 | V137-L141 HydrophobicContact CG1-CD1 3.94Å; V137-L141 HydrophobicContact CG1-CG 4.3Å; V137-L141 WeakPolarHBondContact O-CB 3.28Å; V137-L141 VanDerWaalsContact O-CG 3.26Å; V137-L141 WeakPolarHBondContact O-CG 3.42Å; V137-L141 PolarHBondContact O-N 3.12Å; E138-L141 PolarHBondContact O-N 2.81Å; L141-K143 VanDerWaalsContact C-N 3.35Å; L141-K143 PolarHBondContact O-N 3.41Å; L141-R144 CarbonylContact O-C 3.29Å; L141-R144 VanDerWaalsContact O-C 3.29Å; L141-R144 WeakPolarHBondContact O-CA 3.26Å; L141-R144 PolarHBondContact O-N 2.92Å; L141-R145 VanDerWaalsContact O-CG 3.32Å; L141-R145 WeakPolarHBondContact O-CG 3.42Å; L141-R145 PolarHBondContact O-N 2.82Å |
| 142 | E | 88.6 | Confident | 92 | Very high | 122 Ų | 122 | 106.2 Ų | 106.2 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.1 | -40.9 | 180 | -167.8 | 169.4 | -149.6 | 0 | 0 | 112.9 | E138 E139 R144 R145 | E138-E142 VanDerWaalsContact O-CB 3.25Å; E138-E142 WeakPolarHBondContact O-CB 3.23Å; E138-E142 PolarHBondContact O-N 2.93Å; E139-E142 PolarHBondContact O-N 3.28Å; E142-R144 PolarHBondContact O-N 3.14Å; E142-R145 WeakPolarHBondContact O-CB 3.4Å; E142-R145 PolarHBondContact O-N 3.3Å |
| 143 | K | 89.3 | Confident | 92.2 | Very high | 160 Ų | 160 | 106.6 Ų | 106.6 | 70% | 0.696 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.1 | -30 | 171.8 | -71.3 | 168.2 | -174 | 167.9 | 0 | 113.3 | E139 L141 | E139-K143 WeakPolarHBondContact O-CG 3.46Å; E139-K143 PolarHBondContact O-N 3.46Å; E139-K143 VanDerWaalsContact O-N 3.09Å; L141-K143 VanDerWaalsContact C-N 3.35Å; L141-K143 PolarHBondContact O-N 3.41Å |
| 144 | R | 93 | Very high | 92.4 | Very high | 152 Ų | 152 | 111.3 Ų | 111.3 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -99.1 | -4.9 | 179.8 | -65.3 | -179.7 | 179.7 | 165.5 | 3.8 | 113.5 | E140 L141 E142 D146 E147 I148 | E140-R144 PolarHBondContact O-N 3.3Å; L141-R144 CarbonylContact O-C 3.29Å; L141-R144 VanDerWaalsContact O-C 3.29Å; L141-R144 WeakPolarHBondContact O-CA 3.26Å; L141-R144 PolarHBondContact O-N 2.92Å; E142-R144 PolarHBondContact O-N 3.14Å; R144-D146 PolarHBondContact O-N 3.07Å; R144-E147 PolarHBondContact O-N 2.87Å; R144-I148 HydrophobicContact CB-CD1 4.05Å; R144-I148 VanDerWaalsContact O-CG1 3.27Å; R144-I148 WeakPolarHBondContact O-CG1 3.49Å; R144-I148 PolarHBondContact O-N 3.36Å |
| 145 | R | 92.5 | Very high | 92.5 | Very high | 102 Ų | 102 | 115.4 Ų | 115.4 | 39% | 0.385 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.4 | -49.8 | -175 | -88.6 | 174.3 | -156.7 | -111.9 | 7.3 | 110.3 | E138 L141 E142 E147 I148 E149 | E138-R145 IonicContact OE1-NH2 3.61Å; L141-R145 VanDerWaalsContact O-CG 3.32Å; L141-R145 WeakPolarHBondContact O-CG 3.42Å; L141-R145 PolarHBondContact O-N 2.82Å; E142-R145 WeakPolarHBondContact O-CB 3.4Å; E142-R145 PolarHBondContact O-N 3.3Å; R145-E147 VanDerWaalsContact C-N 3.26Å; R145-E147 PolarHBondContact O-N 3.49Å; R145-I148 PolarHBondContact O-N 3.36Å; R145-E149 VanDerWaalsContact O-CB 3.31Å; R145-E149 WeakPolarHBondContact O-CB 3.47Å; R145-E149 VanDerWaalsContact O-CG 3.29Å; R145-E149 WeakPolarHBondContact O-CG 3.42Å; R145-E149 PolarHBondContact O-N 3.04Å |
| 146 | D | 91.8 | Very high | 92.7 | Very high | 96 Ų | 96 | 113.3 Ų | 113.3 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -34.6 | -178.3 | -63 | -16.5 | 0 | 0 | 0 | 112.6 | R144 R150 | R144-D146 PolarHBondContact O-N 3.07Å; D146-R150 VanDerWaalsContact CB-NH2 3.27Å; D146-R150 VanDerWaalsContact O-CB 3.25Å; D146-R150 WeakPolarHBondContact O-CB 3.47Å; D146-R150 WeakPolarHBondContact O-CG 3.29Å; D146-R150 PolarHBondContact O-N 2.83Å; D146-R150 PolarHBondContact O-NE 2.86Å; D146-R150 VanDerWaalsContact O-NE 3.08Å |
| 147 | E | 91.6 | Very high | 92.9 | Very high | 116 Ų | 116 | 110 Ų | 110 | 54% | 0.542 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71 | -45.3 | 177.3 | -65.6 | -179 | 173 | 0 | 0 | 111.3 | R144 R145 R150 E151 | R144-E147 PolarHBondContact O-N 2.87Å; R145-E147 VanDerWaalsContact C-N 3.26Å; R145-E147 PolarHBondContact O-N 3.49Å; E147-R150 PolarHBondContact O-N 3.23Å; E147-E151 PolarHBondContact O-N 3.09Å |
| 148 | I | 91.1 | Very high | 93.1 | Very high | 82 Ų | 82 | 112.1 Ų | 112.1 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 176.2 | -67 | 166.1 | 0 | 0 | 0 | 109.9 | R144 R145 R150 E151 V152 | R144-I148 HydrophobicContact CB-CD1 4.05Å; R144-I148 VanDerWaalsContact O-CG1 3.27Å; R144-I148 WeakPolarHBondContact O-CG1 3.49Å; R144-I148 PolarHBondContact O-N 3.36Å; R145-I148 PolarHBondContact O-N 3.36Å; I148-R150 PolarHBondContact O-N 2.93Å; I148-E151 PolarHBondContact O-N 2.82Å; I148-V152 HydrophobicContact CG2-CG2 4.27Å; I148-V152 WeakPolarHBondContact O-CB 3.15Å; I148-V152 VanDerWaalsContact O-CG2 3.26Å; I148-V152 WeakPolarHBondContact O-CG2 3.34Å; I148-V152 PolarHBondContact O-N 3.42Å |
| 149 | E | 93.3 | Very high | 93.4 | Very high | 111 Ų | 111 | 109.1 Ų | 109.1 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 178 | -76.4 | -178.4 | -169.7 | 0 | 0 | 111.2 | R145 E151 V152 L153 | R145-E149 VanDerWaalsContact O-CB 3.31Å; R145-E149 WeakPolarHBondContact O-CB 3.47Å; R145-E149 VanDerWaalsContact O-CG 3.29Å; R145-E149 WeakPolarHBondContact O-CG 3.42Å; R145-E149 PolarHBondContact O-N 3.04Å; E149-E151 VanDerWaalsContact C-N 3.33Å; E149-E151 PolarHBondContact O-N 2.96Å; E149-V152 PolarHBondContact O-N 3.27Å; E149-L153 WeakPolarHBondContact O-CB 3.48Å; E149-L153 WeakPolarHBondContact O-CG 3.44Å; E149-L153 PolarHBondContact O-N 3.05Å |
| 150 | R | 95.5 | Very high | 93.8 | Very high | 141 Ų | 141 | 109.5 Ų | 109.5 | 53% | 0.532 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 174.8 | -80.4 | 179.3 | -103.7 | 128.4 | -8.5 | 112.1 | D146 E147 I148 R154 | D146-R150 VanDerWaalsContact CB-NH2 3.27Å; D146-R150 VanDerWaalsContact O-CB 3.25Å; D146-R150 WeakPolarHBondContact O-CB 3.47Å; D146-R150 WeakPolarHBondContact O-CG 3.29Å; D146-R150 PolarHBondContact O-N 2.83Å; D146-R150 PolarHBondContact O-NE 2.86Å; D146-R150 VanDerWaalsContact O-NE 3.08Å; E147-R150 PolarHBondContact O-N 3.23Å; I148-R150 PolarHBondContact O-N 2.93Å; R150-R154 WeakPolarHBondContact O-CG 3.24Å; R150-R154 PolarHBondContact O-N 3.15Å |
| 151 | E | 94.6 | Very high | 94.2 | Very high | 96 Ų | 96 | 110.9 Ų | 110.9 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.7 | -41.9 | 179.2 | -163.1 | -172 | -157.6 | 0 | 0 | 112 | E147 I148 E149 R154 R155 | E147-E151 PolarHBondContact O-N 3.09Å; I148-E151 PolarHBondContact O-N 2.82Å; E149-E151 VanDerWaalsContact C-N 3.33Å; E149-E151 PolarHBondContact O-N 2.96Å; E151-R154 PolarHBondContact O-N 2.97Å; E151-R155 WeakPolarHBondContact O-CG 3.35Å; E151-R155 PolarHBondContact O-N 3.45Å; E151-R155 IonicContact OE1-CZ 3.35Å; E151-R155 VanDerWaalsContact OE1-CZ 3.3Å; E151-R155 IonicContact OE1-NH1 3.79Å; E151-R155 PolarHBondContact OE1-NH1 3.47Å; E151-R155 IonicContact OE1-NH2 3.68Å; E151-R155 PolarHBondContact OE1-NH2 2.91Å; E151-R155 IonicContact OE2-CZ 3.94Å; E151-R155 IonicContact OE2-NH1 3.97Å; E151-R155 PolarHBondContact OE2-NH1 3.45Å; E151-R155 IonicContact OE2-NH2 3.22Å; E151-R155 PolarHBondContact OE2-NH2 3.43Å |
| 152 | V | 96 | Very high | 94.6 | Very high | 74 Ų | 74 | 110.8 Ų | 110.8 | 45% | 0.448 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 174.8 | 170.1 | 0 | 0 | 0 | 0 | 110.4 | I148 E149 R154 R155 V156 | I148-V152 HydrophobicContact CG2-CG2 4.27Å; I148-V152 WeakPolarHBondContact O-CB 3.15Å; I148-V152 VanDerWaalsContact O-CG2 3.26Å; I148-V152 WeakPolarHBondContact O-CG2 3.34Å; I148-V152 PolarHBondContact O-N 3.42Å; E149-V152 PolarHBondContact O-N 3.27Å; V152-R154 PolarHBondContact O-N 3.28Å; V152-R155 PolarHBondContact O-N 3.41Å; V152-V156 HydrophobicContact CG1-CG2 4.35Å; V152-V156 WeakPolarHBondContact O-CB 3.35Å; V152-V156 VanDerWaalsContact O-CG2 3.26Å; V152-V156 WeakPolarHBondContact O-CG2 3.35Å; V152-V156 PolarHBondContact O-N 3.06Å |
| 153 | L | 96.4 | Very high | 94.8 | Very high | 101 Ų | 101 | 110.6 Ų | 110.6 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 176.5 | -73.7 | 172.8 | 0 | 0 | 0 | 111.3 | E149 R155 V156 E157 | E149-L153 WeakPolarHBondContact O-CB 3.48Å; E149-L153 WeakPolarHBondContact O-CG 3.44Å; E149-L153 PolarHBondContact O-N 3.05Å; L153-R155 PolarHBondContact O-N 3.36Å; L153-V156 PolarHBondContact O-N 3.5Å; L153-E157 WeakPolarHBondContact O-CB 3.4Å; L153-E157 WeakPolarHBondContact O-CG 3.48Å; L153-E157 PolarHBondContact O-N 3.12Å |
| 154 | R | 97.3 | Very high | 95.1 | Very high | 178 Ų | 178 | 108.4 Ų | 108.4 | 67% | 0.672 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58 | -49.4 | 175.1 | -80.2 | -174.1 | 177 | -178.3 | 0.5 | 112.5 | R150 E151 V152 V156 E157 E158 | R150-R154 WeakPolarHBondContact O-CG 3.24Å; R150-R154 PolarHBondContact O-N 3.15Å; E151-R154 PolarHBondContact O-N 2.97Å; V152-R154 PolarHBondContact O-N 3.28Å; R154-V156 VanDerWaalsContact C-N 3.31Å; R154-V156 PolarHBondContact O-N 3.44Å; R154-E157 PolarHBondContact O-N 2.74Å; R154-E158 WeakPolarHBondContact O-CB 3.24Å; R154-E158 WeakPolarHBondContact O-CG 3.22Å; R154-E158 PolarHBondContact O-N 2.81Å |
| 155 | R | 96.7 | Very high | 95.3 | Very high | 137 Ų | 137 | 108.9 Ų | 108.9 | 52% | 0.517 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.9 | -40 | 178.1 | -73.2 | -177.9 | 177.3 | 119.9 | 6.1 | 112.1 | E151 V152 L153 A159 | E151-R155 WeakPolarHBondContact O-CG 3.35Å; E151-R155 PolarHBondContact O-N 3.45Å; E151-R155 IonicContact OE1-CZ 3.35Å; E151-R155 VanDerWaalsContact OE1-CZ 3.3Å; E151-R155 IonicContact OE1-NH1 3.79Å; E151-R155 PolarHBondContact OE1-NH1 3.47Å; E151-R155 IonicContact OE1-NH2 3.68Å; E151-R155 PolarHBondContact OE1-NH2 2.91Å; E151-R155 IonicContact OE2-CZ 3.94Å; E151-R155 IonicContact OE2-NH1 3.97Å; E151-R155 PolarHBondContact OE2-NH1 3.45Å; E151-R155 IonicContact OE2-NH2 3.22Å; E151-R155 PolarHBondContact OE2-NH2 3.43Å; V152-R155 PolarHBondContact O-N 3.41Å; L153-R155 PolarHBondContact O-N 3.36Å; R155-A159 VanDerWaalsContact O-CB 3.3Å; R155-A159 WeakPolarHBondContact O-CB 3.33Å; R155-A159 PolarHBondContact O-N 3.15Å |
| 156 | V | 97.6 | Very high | 95.5 | Very high | 65 Ų | 65 | 109 Ų | 109 | 39% | 0.394 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 177.5 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | V152 L153 R154 A159 K160 | V152-V156 HydrophobicContact CG1-CG2 4.35Å; V152-V156 WeakPolarHBondContact O-CB 3.35Å; V152-V156 VanDerWaalsContact O-CG2 3.26Å; V152-V156 WeakPolarHBondContact O-CG2 3.35Å; V152-V156 PolarHBondContact O-N 3.06Å; L153-V156 PolarHBondContact O-N 3.5Å; R154-V156 VanDerWaalsContact C-N 3.31Å; R154-V156 PolarHBondContact O-N 3.44Å; V156-A159 PolarHBondContact O-N 2.88Å; V156-K160 HydrophobicContact CG1-CD 4.18Å; V156-K160 HydrophobicContact CG1-CG 4.48Å; V156-K160 WeakPolarHBondContact O-CB 3.29Å; V156-K160 VanDerWaalsContact O-CG 3.28Å; V156-K160 WeakPolarHBondContact O-CG 3.31Å; V156-K160 PolarHBondContact O-N 3.11Å |
| 157 | E | 96.3 | Very high | 95.7 | Very high | 95 Ų | 95 | 109.4 Ų | 109.4 | 44% | 0.444 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 175.5 | -75.3 | 178 | -172.7 | 0 | 0 | 112 | L153 R154 K160 R161 | L153-E157 WeakPolarHBondContact O-CB 3.4Å; L153-E157 WeakPolarHBondContact O-CG 3.48Å; L153-E157 PolarHBondContact O-N 3.12Å; R154-E157 PolarHBondContact O-N 2.74Å; E157-K160 PolarHBondContact O-N 2.86Å; E157-R161 WeakPolarHBondContact O-CB 3.41Å; E157-R161 VanDerWaalsContact O-CG 3.29Å; E157-R161 WeakPolarHBondContact O-CG 3.29Å; E157-R161 PolarHBondContact O-N 3.36Å |
| 158 | E | 96.9 | Very high | 95.9 | Very high | 112 Ų | 112 | 108.8 Ų | 108.8 | 52% | 0.523 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 174.8 | -74.6 | 172.5 | -175.9 | 0 | 0 | 111.4 | R154 K160 R161 I162 | R154-E158 WeakPolarHBondContact O-CB 3.24Å; R154-E158 WeakPolarHBondContact O-CG 3.22Å; R154-E158 PolarHBondContact O-N 2.81Å; E158-K160 PolarHBondContact O-N 3.18Å; E158-R161 PolarHBondContact O-N 3.36Å; E158-I162 VanDerWaalsContact O-CG1 3.3Å; E158-I162 WeakPolarHBondContact O-CG1 3.37Å; E158-I162 PolarHBondContact O-N 3.22Å |
| 159 | A | 95.7 | Very high | 96.2 | Very high | 46 Ų | 46 | 109.1 Ų | 109.1 | 38% | 0.38 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R155 V156 I162 M163 | R155-A159 VanDerWaalsContact O-CB 3.3Å; R155-A159 WeakPolarHBondContact O-CB 3.33Å; R155-A159 PolarHBondContact O-N 3.15Å; V156-A159 PolarHBondContact O-N 2.88Å; A159-I162 PolarHBondContact O-N 3.13Å; A159-M163 WeakPolarHBondContact O-CG 3.36Å; A159-M163 PolarHBondContact O-N 2.8Å |
| 160 | K | 96.9 | Very high | 96.3 | Very high | 113 Ų | 113 | 108.8 Ų | 108.8 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 174.3 | -77.7 | 176.3 | -179.6 | 178.9 | 0 | 111.5 | V156 E157 E158 I162 M163 E164 | V156-K160 HydrophobicContact CG1-CD 4.18Å; V156-K160 HydrophobicContact CG1-CG 4.48Å; V156-K160 WeakPolarHBondContact O-CB 3.29Å; V156-K160 VanDerWaalsContact O-CG 3.28Å; V156-K160 WeakPolarHBondContact O-CG 3.31Å; V156-K160 PolarHBondContact O-N 3.11Å; E157-K160 PolarHBondContact O-N 2.86Å; E158-K160 PolarHBondContact O-N 3.18Å; K160-I162 VanDerWaalsContact C-N 3.3Å; K160-I162 PolarHBondContact O-N 3.27Å; K160-M163 PolarHBondContact O-N 2.87Å; K160-E164 WeakPolarHBondContact O-CB 3.32Å; K160-E164 VanDerWaalsContact O-CG 3.29Å; K160-E164 WeakPolarHBondContact O-CG 3.25Å; K160-E164 PolarHBondContact O-N 2.95Å |
| 161 | R | 97.7 | Very high | 96.3 | Very high | 144 Ų | 144 | 105.5 Ų | 105.5 | 54% | 0.543 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -34.2 | 178.1 | -75.5 | 176.9 | -176.7 | 172.2 | 5.5 | 113 | E157 E158 R165 | E157-R161 WeakPolarHBondContact O-CB 3.41Å; E157-R161 VanDerWaalsContact O-CG 3.29Å; E157-R161 WeakPolarHBondContact O-CG 3.29Å; E157-R161 PolarHBondContact O-N 3.36Å; E158-R161 PolarHBondContact O-N 3.36Å; R161-R165 VanDerWaalsContact O-CB 3.31Å; R161-R165 WeakPolarHBondContact O-CB 3.35Å; R161-R165 VanDerWaalsContact O-CG 3.25Å; R161-R165 WeakPolarHBondContact O-CG 3.41Å; R161-R165 PolarHBondContact O-N 3.42Å; R161-R165 VanDerWaalsContact O-N 3.1Å; R161-R165 PolarHBondContact O-NE 3.38Å |
| 162 | I | 97.1 | Very high | 96.4 | Very high | 83 Ų | 83 | 106.2 Ų | 106.2 | 43% | 0.426 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.3 | -49.1 | 175 | -68.9 | 165.1 | 0 | 0 | 0 | 109.5 | E158 A159 K160 E164 R165 Q166 | E158-I162 VanDerWaalsContact O-CG1 3.3Å; E158-I162 WeakPolarHBondContact O-CG1 3.37Å; E158-I162 PolarHBondContact O-N 3.22Å; A159-I162 PolarHBondContact O-N 3.13Å; K160-I162 VanDerWaalsContact C-N 3.3Å; K160-I162 PolarHBondContact O-N 3.27Å; I162-E164 PolarHBondContact O-N 3.42Å; I162-R165 PolarHBondContact O-N 3.46Å; I162-Q166 WeakPolarHBondContact O-CG 3.33Å; I162-Q166 PolarHBondContact O-N 3.45Å |
| 163 | M | 93.8 | Very high | 96.4 | Very high | 118 Ų | 118 | 109.4 Ų | 109.4 | 58% | 0.581 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.6 | -43.8 | 178.1 | -72.2 | -172 | -68.1 | 0 | 0 | 112.4 | A159 K160 Q166 L167 | A159-M163 WeakPolarHBondContact O-CG 3.36Å; A159-M163 PolarHBondContact O-N 2.8Å; K160-M163 PolarHBondContact O-N 2.87Å; M163-Q166 PolarHBondContact O-N 2.86Å; M163-L167 WeakPolarHBondContact O-CB 3.5Å; M163-L167 PolarHBondContact O-N 3.26Å |
| 164 | E | 95.2 | Very high | 96.4 | Very high | 115 Ų | 115 | 109.9 Ų | 109.9 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 177.6 | -76.1 | 171.7 | -175.7 | 0 | 0 | 111.8 | K160 I162 L167 L168 | K160-E164 WeakPolarHBondContact O-CB 3.32Å; K160-E164 VanDerWaalsContact O-CG 3.29Å; K160-E164 WeakPolarHBondContact O-CG 3.25Å; K160-E164 PolarHBondContact O-N 2.95Å; I162-E164 PolarHBondContact O-N 3.42Å; E164-L167 PolarHBondContact O-N 2.89Å; E164-L168 WeakPolarHBondContact O-CB 3.29Å; E164-L168 VanDerWaalsContact O-CG 3.31Å; E164-L168 WeakPolarHBondContact O-CG 3.31Å; E164-L168 PolarHBondContact O-N 2.89Å |
| 165 | R | 97.4 | Very high | 96.4 | Very high | 162 Ų | 162 | 109.4 Ų | 109.4 | 61% | 0.611 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.8 | -45.6 | 175.6 | -80.7 | -178.4 | -74.2 | -177 | -1.5 | 112 | R161 I162 L167 L168 E169 | R161-R165 VanDerWaalsContact O-CB 3.31Å; R161-R165 WeakPolarHBondContact O-CB 3.35Å; R161-R165 VanDerWaalsContact O-CG 3.25Å; R161-R165 WeakPolarHBondContact O-CG 3.41Å; R161-R165 PolarHBondContact O-N 3.42Å; R161-R165 VanDerWaalsContact O-N 3.1Å; R161-R165 PolarHBondContact O-NE 3.38Å; I162-R165 PolarHBondContact O-N 3.46Å; R165-L167 VanDerWaalsContact C-N 3.34Å; R165-L167 PolarHBondContact O-N 3.4Å; R165-L168 PolarHBondContact O-N 2.95Å; R165-E169 WeakPolarHBondContact O-CB 3.45Å; R165-E169 PolarHBondContact O-N 3.48Å |
| 166 | Q | 96.4 | Very high | 96.3 | Very high | 104 Ų | 104 | 108.4 Ų | 108.4 | 49% | 0.486 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 176.7 | -73 | 175.1 | -28 | 0 | 0 | 111.3 | I162 M163 L168 E169 E170 | I162-Q166 WeakPolarHBondContact O-CG 3.33Å; I162-Q166 PolarHBondContact O-N 3.45Å; M163-Q166 PolarHBondContact O-N 2.86Å; Q166-L168 PolarHBondContact O-N 3.41Å; Q166-E169 PolarHBondContact O-N 3.14Å; Q166-E170 WeakPolarHBondContact O-CB 3.43Å; Q166-E170 WeakPolarHBondContact O-CG 3.34Å; Q166-E170 PolarHBondContact O-N 3.01Å |
| 167 | L | 96.1 | Very high | 96.3 | Very high | 104 Ų | 104 | 107.9 Ų | 107.9 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 178.5 | -176.3 | 66.2 | 0 | 0 | 0 | 112.3 | M163 E164 R165 E170 L171 | M163-L167 WeakPolarHBondContact O-CB 3.5Å; M163-L167 PolarHBondContact O-N 3.26Å; E164-L167 PolarHBondContact O-N 2.89Å; R165-L167 VanDerWaalsContact C-N 3.34Å; R165-L167 PolarHBondContact O-N 3.4Å; L167-E170 PolarHBondContact O-N 3.1Å; L167-L171 HydrophobicContact CG-CD1 4.31Å; L167-L171 WeakPolarHBondContact O-CB 3.46Å; L167-L171 WeakPolarHBondContact O-CG 3.32Å; L167-L171 PolarHBondContact O-N 2.94Å |
| 168 | L | 96.9 | Very high | 96.3 | Very high | 103 Ų | 103 | 109.3 Ų | 109.3 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 176.5 | -74.2 | 173.1 | 0 | 0 | 0 | 111.5 | E164 R165 Q166 E170 L171 E172 | E164-L168 WeakPolarHBondContact O-CB 3.29Å; E164-L168 VanDerWaalsContact O-CG 3.31Å; E164-L168 WeakPolarHBondContact O-CG 3.31Å; E164-L168 PolarHBondContact O-N 2.89Å; R165-L168 PolarHBondContact O-N 2.95Å; Q166-L168 PolarHBondContact O-N 3.41Å; L168-E170 VanDerWaalsContact C-N 3.34Å; L168-E170 PolarHBondContact O-N 3.34Å; L168-L171 PolarHBondContact O-N 2.86Å; L168-E172 WeakPolarHBondContact O-CG 3.36Å; L168-E172 PolarHBondContact O-N 2.85Å |
| 169 | E | 96.8 | Very high | 96.3 | Very high | 89 Ų | 89 | 108.4 Ų | 108.4 | 42% | 0.416 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 178.5 | -162.6 | -169.4 | -168 | 0 | 0 | 111.7 | R165 Q166 E172 R173 | R165-E169 WeakPolarHBondContact O-CB 3.45Å; R165-E169 PolarHBondContact O-N 3.48Å; Q166-E169 PolarHBondContact O-N 3.14Å; E169-E172 PolarHBondContact O-N 3.35Å; E169-R173 WeakPolarHBondContact O-CB 3.35Å; E169-R173 VanDerWaalsContact O-CG 3.29Å; E169-R173 WeakPolarHBondContact O-CG 3.45Å; E169-R173 PolarHBondContact O-N 3.5Å; E169-R173 IonicContact OE1-CZ 3.54Å; E169-R173 VanDerWaalsContact OE1-CZ 3.27Å; E169-R173 IonicContact OE1-NH1 3.3Å; E169-R173 PolarHBondContact OE1-NH1 2.96Å; E169-R173 IonicContact OE1-NH2 3.46Å; E169-R173 PolarHBondContact OE1-NH2 2.65Å; E169-R173 IonicContact OE2-CZ 3.48Å; E169-R173 IonicContact OE2-NH1 2.87Å; E169-R173 PolarHBondContact OE2-NH1 3.37Å; E169-R173 IonicContact OE2-NH2 2.68Å |
| 170 | E | 95.3 | Very high | 96.3 | Very high | 105 Ų | 105 | 112.7 Ų | 112.7 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 173.3 | -75.9 | 178.1 | -176.4 | 0 | 0 | 112.1 | Q166 L167 L168 R173 Q174 | Q166-E170 WeakPolarHBondContact O-CB 3.43Å; Q166-E170 WeakPolarHBondContact O-CG 3.34Å; Q166-E170 PolarHBondContact O-N 3.01Å; L167-E170 PolarHBondContact O-N 3.1Å; L168-E170 VanDerWaalsContact C-N 3.34Å; L168-E170 PolarHBondContact O-N 3.34Å; E170-R173 PolarHBondContact O-N 3.39Å; E170-Q174 VanDerWaalsContact O-CG 3.29Å; E170-Q174 WeakPolarHBondContact O-CG 3.3Å; E170-Q174 PolarHBondContact O-N 3.33Å |
| 171 | L | 96.2 | Very high | 96.3 | Very high | 72 Ų | 72 | 109.5 Ų | 109.5 | 38% | 0.377 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 176.5 | -77.1 | 170 | 0 | 0 | 0 | 112.3 | L167 L168 Q174 R175 | L167-L171 HydrophobicContact CG-CD1 4.31Å; L167-L171 WeakPolarHBondContact O-CB 3.46Å; L167-L171 WeakPolarHBondContact O-CG 3.32Å; L167-L171 PolarHBondContact O-N 2.94Å; L168-L171 PolarHBondContact O-N 2.86Å; L171-Q174 PolarHBondContact O-N 3.43Å; L171-R175 WeakPolarHBondContact O-CG 3.32Å; L171-R175 PolarHBondContact O-N 2.94Å |
| 172 | E | 95.6 | Very high | 96.2 | Very high | 111 Ų | 111 | 107.6 Ų | 107.6 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 175.4 | -75.3 | 178.7 | 176 | 0 | 0 | 111.2 | L168 E169 Q174 R175 H176 | L168-E172 WeakPolarHBondContact O-CG 3.36Å; L168-E172 PolarHBondContact O-N 2.85Å; E169-E172 PolarHBondContact O-N 3.35Å; E172-Q174 VanDerWaalsContact C-N 3.33Å; E172-Q174 PolarHBondContact O-N 2.86Å; E172-R175 PolarHBondContact O-N 3.22Å; E172-H176 WeakPolarHBondContact O-CB 3.43Å; E172-H176 PolarHBondContact O-CD2 3.48Å; E172-H176 PolarHBondContact O-N 3.46Å |
| 173 | R | 97 | Very high | 96.1 | Very high | 140 Ų | 140 | 109.6 Ų | 109.6 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.4 | -45.4 | 173.5 | -77.7 | 178 | 177.8 | 120 | 5.8 | 111.9 | E169 E170 H176 A177 | E169-R173 WeakPolarHBondContact O-CB 3.35Å; E169-R173 VanDerWaalsContact O-CG 3.29Å; E169-R173 WeakPolarHBondContact O-CG 3.45Å; E169-R173 PolarHBondContact O-N 3.5Å; E169-R173 IonicContact OE1-CZ 3.54Å; E169-R173 VanDerWaalsContact OE1-CZ 3.27Å; E169-R173 IonicContact OE1-NH1 3.3Å; E169-R173 PolarHBondContact OE1-NH1 2.96Å; E169-R173 IonicContact OE1-NH2 3.46Å; E169-R173 PolarHBondContact OE1-NH2 2.65Å; E169-R173 IonicContact OE2-CZ 3.48Å; E169-R173 IonicContact OE2-NH1 2.87Å; E169-R173 PolarHBondContact OE2-NH1 3.37Å; E169-R173 IonicContact OE2-NH2 2.68Å; E170-R173 PolarHBondContact O-N 3.39Å; R173-H176 PolarHBondContact O-N 2.94Å; R173-A177 WeakPolarHBondContact O-CB 3.33Å; R173-A177 PolarHBondContact O-N 2.93Å |
| 174 | Q | 95.6 | Very high | 96.3 | Very high | 112 Ų | 112 | 106.1 Ų | 106.1 | 52% | 0.523 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 177.3 | -75.2 | 175.2 | 2.7 | 0 | 0 | 111.6 | E170 L171 E172 H176 A177 E178 | E170-Q174 VanDerWaalsContact O-CG 3.29Å; E170-Q174 WeakPolarHBondContact O-CG 3.3Å; E170-Q174 PolarHBondContact O-N 3.33Å; L171-Q174 PolarHBondContact O-N 3.43Å; E172-Q174 VanDerWaalsContact C-N 3.33Å; E172-Q174 PolarHBondContact O-N 2.86Å; Q174-H176 PolarHBondContact O-N 2.91Å; Q174-A177 PolarHBondContact O-N 3.37Å; Q174-E178 WeakPolarHBondContact O-CB 3.15Å; Q174-E178 WeakPolarHBondContact O-CG 3.42Å; Q174-E178 PolarHBondContact O-N 2.92Å |
| 175 | R | 96.9 | Very high | 96.3 | Very high | 168 Ų | 168 | 109 Ų | 109 | 63% | 0.634 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.2 | -44.9 | 176.4 | -75 | 175.8 | 177.7 | 176.5 | 1.2 | 112.3 | L171 E172 E178 L179 | L171-R175 WeakPolarHBondContact O-CG 3.32Å; L171-R175 PolarHBondContact O-N 2.94Å; E172-R175 PolarHBondContact O-N 3.22Å; R175-E178 PolarHBondContact O-N 3.47Å; R175-L179 WeakPolarHBondContact O-CB 3.29Å; R175-L179 WeakPolarHBondContact O-CG 3.25Å; R175-L179 PolarHBondContact O-N 2.99Å |
| 176 | H | 96.1 | Very high | 96.2 | Very high | 115 Ų | 115 | 107 Ų | 107 | 53% | 0.532 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 176.9 | -79.4 | -62.9 | 0 | 0 | 0 | 111.9 | E172 R173 Q174 L179 Q180 | E172-H176 WeakPolarHBondContact O-CB 3.43Å; E172-H176 PolarHBondContact O-CD2 3.48Å; E172-H176 PolarHBondContact O-N 3.46Å; R173-H176 PolarHBondContact O-N 2.94Å; Q174-H176 PolarHBondContact O-N 2.91Å; H176-L179 PolarHBondContact O-N 3.38Å; H176-Q180 WeakPolarHBondContact O-CB 3.3Å; H176-Q180 VanDerWaalsContact O-CG 3.29Å; H176-Q180 WeakPolarHBondContact O-CG 3.21Å; H176-Q180 PolarHBondContact O-N 2.92Å |
| 177 | A | 96.7 | Very high | 96.2 | Very high | 55 Ų | 55 | 108.2 Ų | 108.2 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R173 Q174 Q180 A181 | R173-A177 WeakPolarHBondContact O-CB 3.33Å; R173-A177 PolarHBondContact O-N 2.93Å; Q174-A177 PolarHBondContact O-N 3.37Å; A177-Q180 PolarHBondContact O-N 3.37Å; A177-A181 VanDerWaalsContact O-CB 3.24Å; A177-A181 WeakPolarHBondContact O-CB 3.43Å; A177-A181 PolarHBondContact O-N 2.91Å |
| 178 | E | 95.4 | Very high | 96.2 | Very high | 125 Ų | 125 | 108.4 Ų | 108.4 | 58% | 0.584 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.7 | -45.6 | 175.5 | -75.7 | 179.8 | 176.4 | 0 | 0 | 111.9 | Q174 R175 A181 Q182 | Q174-E178 WeakPolarHBondContact O-CB 3.15Å; Q174-E178 WeakPolarHBondContact O-CG 3.42Å; Q174-E178 PolarHBondContact O-N 2.92Å; R175-E178 PolarHBondContact O-N 3.47Å; E178-A181 PolarHBondContact O-N 3.45Å; E178-Q182 WeakPolarHBondContact O-CG 3.28Å; E178-Q182 PolarHBondContact O-N 2.86Å |
| 179 | L | 96.8 | Very high | 96.1 | Very high | 92 Ų | 92 | 108.5 Ų | 108.5 | 48% | 0.482 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 176.6 | -72.3 | 173.7 | 0 | 0 | 0 | 111.9 | R175 H176 Q182 K183 | R175-L179 WeakPolarHBondContact O-CB 3.29Å; R175-L179 WeakPolarHBondContact O-CG 3.25Å; R175-L179 PolarHBondContact O-N 2.99Å; H176-L179 PolarHBondContact O-N 3.38Å; L179-Q182 PolarHBondContact O-N 3.25Å; L179-K183 WeakPolarHBondContact O-CB 3.38Å; L179-K183 WeakPolarHBondContact O-CG 3.48Å; L179-K183 PolarHBondContact O-N 3.31Å |
| 180 | Q | 96.5 | Very high | 96.1 | Very high | 137 Ų | 137 | 107.5 Ų | 107.5 | 64% | 0.64 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.6 | -41.4 | 175.2 | -76.9 | -179.8 | -9.9 | 0 | 0 | 111.6 | H176 A177 Q182 K183 A184 | H176-Q180 WeakPolarHBondContact O-CB 3.3Å; H176-Q180 VanDerWaalsContact O-CG 3.29Å; H176-Q180 WeakPolarHBondContact O-CG 3.21Å; H176-Q180 PolarHBondContact O-N 2.92Å; A177-Q180 PolarHBondContact O-N 3.37Å; Q180-Q182 VanDerWaalsContact C-N 3.33Å; Q180-Q182 PolarHBondContact O-N 3.27Å; Q180-K183 PolarHBondContact O-N 2.98Å; Q180-A184 WeakPolarHBondContact O-CB 3.26Å; Q180-A184 PolarHBondContact O-N 3.39Å |
| 181 | A | 96.1 | Very high | 96.1 | Very high | 46 Ų | 46 | 104.7 Ų | 104.7 | 38% | 0.38 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.5 | -35.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | A177 E178 R185 | A177-A181 VanDerWaalsContact O-CB 3.24Å; A177-A181 WeakPolarHBondContact O-CB 3.43Å; A177-A181 PolarHBondContact O-N 2.91Å; E178-A181 PolarHBondContact O-N 3.45Å; A181-R185 VanDerWaalsContact O-CG 3.22Å; A181-R185 WeakPolarHBondContact O-CG 3.32Å; A181-R185 PolarHBondContact O-N 2.98Å; A181-R185 VanDerWaalsContact O-N 3.14Å |
| 182 | Q | 95.5 | Very high | 96.1 | Very high | 103 Ų | 103 | 106.2 Ų | 106.2 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.1 | -49 | 172.7 | -75.4 | 177.7 | 7.8 | 0 | 0 | 111.2 | E178 L179 Q180 A184 R185 E186 | E178-Q182 WeakPolarHBondContact O-CG 3.28Å; E178-Q182 PolarHBondContact O-N 2.86Å; L179-Q182 PolarHBondContact O-N 3.25Å; Q180-Q182 VanDerWaalsContact C-N 3.33Å; Q180-Q182 PolarHBondContact O-N 3.27Å; Q182-A184 PolarHBondContact O-N 3.49Å; Q182-R185 WeakPolarHBondContact O-CB 3.26Å; Q182-R185 PolarHBondContact O-N 3.48Å; Q182-R185 VanDerWaalsContact O-N 3.15Å; Q182-E186 WeakPolarHBondContact O-CG 3.43Å; Q182-E186 PolarHBondContact O-N 3.37Å |
| 183 | K | 96.7 | Very high | 96.2 | Very high | 126 Ų | 126 | 108.7 Ų | 108.7 | 55% | 0.548 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.3 | -45.6 | 176.6 | -74 | -179.7 | 178.1 | -170.2 | 0 | 112.5 | L179 Q180 R185 E186 E187 | L179-K183 WeakPolarHBondContact O-CB 3.38Å; L179-K183 WeakPolarHBondContact O-CG 3.48Å; L179-K183 PolarHBondContact O-N 3.31Å; Q180-K183 PolarHBondContact O-N 2.98Å; K183-R185 VanDerWaalsContact C-N 3.29Å; K183-R185 PolarHBondContact O-N 2.91Å; K183-E186 PolarHBondContact O-N 3.23Å; K183-E187 WeakPolarHBondContact O-CB 3.39Å; K183-E187 WeakPolarHBondContact O-CG 3.32Å; K183-E187 PolarHBondContact O-N 3.48Å |
| 184 | A | 96.8 | Very high | 96.2 | Very high | 45 Ų | 45 | 108 Ų | 108 | 37% | 0.372 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.1 | -38.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q180 Q182 E188 | Q180-A184 WeakPolarHBondContact O-CB 3.26Å; Q180-A184 PolarHBondContact O-N 3.39Å; Q182-A184 PolarHBondContact O-N 3.49Å; A184-E188 WeakPolarHBondContact O-CG 3.45Å; A184-E188 PolarHBondContact O-N 3.35Å |
| 185 | R | 96.7 | Very high | 96.2 | Very high | 175 Ų | 175 | 108.5 Ų | 108.5 | 66% | 0.66 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.4 | -41.8 | 174.7 | -73.4 | 172.4 | -176.2 | -176.1 | 4.2 | 112.2 | A181 Q182 K183 E188 E189 | A181-R185 VanDerWaalsContact O-CG 3.22Å; A181-R185 WeakPolarHBondContact O-CG 3.32Å; A181-R185 PolarHBondContact O-N 2.98Å; A181-R185 VanDerWaalsContact O-N 3.14Å; Q182-R185 WeakPolarHBondContact O-CB 3.26Å; Q182-R185 PolarHBondContact O-N 3.48Å; Q182-R185 VanDerWaalsContact O-N 3.15Å; K183-R185 VanDerWaalsContact C-N 3.29Å; K183-R185 PolarHBondContact O-N 2.91Å; R185-E188 PolarHBondContact O-N 2.78Å; R185-E189 WeakPolarHBondContact O-CG 3.31Å; R185-E189 PolarHBondContact O-N 3.08Å |
| 186 | E | 94.9 | Very high | 96.2 | Very high | 121 Ų | 121 | 105.6 Ų | 105.6 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62 | -45.8 | 175.3 | -73.5 | 176.3 | 179.4 | 0 | 0 | 110.8 | Q182 K183 E188 E189 T190 | Q182-E186 WeakPolarHBondContact O-CG 3.43Å; Q182-E186 PolarHBondContact O-N 3.37Å; K183-E186 PolarHBondContact O-N 3.23Å; E186-E188 PolarHBondContact O-N 2.86Å; E186-E189 CarbonylContact O-C 3.57Å; E186-E189 PolarHBondContact O-N 2.98Å; E186-E189 VanDerWaalsContact O-N 3.11Å; E186-T190 WeakPolarHBondContact O-CG2 3.39Å; E186-T190 PolarHBondContact O-N 3.47Å; E186-T190 PolarHBondContact O-OG1 3.46Å |
| 187 | E | 95.9 | Very high | 96.2 | Very high | 129 Ų | 129 | 105.6 Ų | 105.6 | 60% | 0.603 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.7 | -46.1 | 176.1 | -75.6 | 171.3 | -168.9 | 0 | 0 | 111.7 | K183 E189 T190 S191 | K183-E187 WeakPolarHBondContact O-CB 3.39Å; K183-E187 WeakPolarHBondContact O-CG 3.32Å; K183-E187 PolarHBondContact O-N 3.48Å; E187-E189 VanDerWaalsContact C-N 3.33Å; E187-E189 PolarHBondContact O-N 3.26Å; E187-T190 VanDerWaalsContact CA-OG1 3.23Å; E187-T190 WeakPolarHBondContact CA-OG1 3.27Å; E187-T190 PolarHBondContact O-N 2.84Å; E187-T190 PolarHBondContact O-OG1 2.84Å; E187-S191 WeakPolarHBondContact O-CB 3.49Å; E187-S191 PolarHBondContact O-N 2.95Å; E187-S191 PolarHBondContact O-OG 3.31Å |
| 188 | E | 95.1 | Very high | 96.2 | Very high | 107 Ų | 107 | 109.1 Ų | 109.1 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -35.7 | 174 | -78.5 | -173.4 | -159.8 | 0 | 0 | 113.2 | A184 R185 E186 S191 K192 | A184-E188 WeakPolarHBondContact O-CG 3.45Å; A184-E188 PolarHBondContact O-N 3.35Å; R185-E188 PolarHBondContact O-N 2.78Å; E186-E188 PolarHBondContact O-N 2.86Å; E188-S191 PolarHBondContact O-OG 2.95Å; E188-S191 VanDerWaalsContact O-OG 3.06Å; E188-K192 WeakPolarHBondContact O-CB 3.35Å; E188-K192 VanDerWaalsContact O-CD 3.26Å; E188-K192 WeakPolarHBondContact O-CD 3.25Å; E188-K192 WeakPolarHBondContact O-CG 3.49Å; E188-K192 PolarHBondContact O-N 3.48Å; E188-K192 VanDerWaalsContact O-N 3.12Å; E188-K192 IonicContact OE2-NZ 3.42Å; E188-K192 PolarHBondContact OE2-NZ 3.26Å |
| 189 | E | 94.9 | Very high | 96.3 | Very high | 106 Ų | 106 | 108.1 Ų | 108.1 | 50% | 0.495 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.6 | -40.2 | 174.9 | -78.4 | -164.9 | -172.6 | 0 | 0 | 111.4 | R185 E186 E187 K192 R193 | R185-E189 WeakPolarHBondContact O-CG 3.31Å; R185-E189 PolarHBondContact O-N 3.08Å; E186-E189 CarbonylContact O-C 3.57Å; E186-E189 PolarHBondContact O-N 2.98Å; E186-E189 VanDerWaalsContact O-N 3.11Å; E187-E189 VanDerWaalsContact C-N 3.33Å; E187-E189 PolarHBondContact O-N 3.26Å; E189-K192 PolarHBondContact O-N 3.2Å; E189-R193 VanDerWaalsContact O-CG 3.28Å; E189-R193 WeakPolarHBondContact O-CG 3.37Å; E189-R193 PolarHBondContact O-N 2.98Å; E189-R193 IonicContact OE2-NH2 3.57Å; E189-R193 PolarHBondContact OE2-NH2 3.22Å |
| 190 | T | 96.7 | Very high | 96.2 | Very high | 68 Ų | 68 | 108.9 Ų | 108.9 | 42% | 0.417 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 175.7 | 50.6 | 0 | 0 | 0 | 0 | 111.2 | E186 E187 K192 R193 E194 | E186-T190 WeakPolarHBondContact O-CG2 3.39Å; E186-T190 PolarHBondContact O-N 3.47Å; E186-T190 PolarHBondContact O-OG1 3.46Å; E187-T190 VanDerWaalsContact CA-OG1 3.23Å; E187-T190 WeakPolarHBondContact CA-OG1 3.27Å; E187-T190 PolarHBondContact O-N 2.84Å; E187-T190 PolarHBondContact O-OG1 2.84Å; T190-K192 VanDerWaalsContact C-N 3.34Å; T190-K192 PolarHBondContact O-N 3.19Å; T190-R193 WeakPolarHBondContact O-CB 3.29Å; T190-R193 PolarHBondContact O-N 2.68Å; T190-R193 VanDerWaalsContact O-N 3.09Å; T190-E194 WeakPolarHBondContact O-CG 3.32Å; T190-E194 PolarHBondContact O-N 2.87Å |
| 191 | S | 96.5 | Very high | 96.2 | Very high | 45 Ų | 45 | 106.8 Ų | 106.8 | 32% | 0.315 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 177.7 | 74.9 | 0 | 0 | 0 | 0 | 111.3 | E187 E188 R193 E194 E195 | E187-S191 WeakPolarHBondContact O-CB 3.49Å; E187-S191 PolarHBondContact O-N 2.95Å; E187-S191 PolarHBondContact O-OG 3.31Å; E188-S191 PolarHBondContact O-OG 2.95Å; E188-S191 VanDerWaalsContact O-OG 3.06Å; S191-R193 VanDerWaalsContact C-N 3.32Å; S191-R193 PolarHBondContact O-N 3.31Å; S191-E194 PolarHBondContact O-N 3.49Å; S191-E195 WeakPolarHBondContact O-CB 3.32Å; S191-E195 VanDerWaalsContact O-CG 3.28Å; S191-E195 WeakPolarHBondContact O-CG 3.46Å; S191-E195 PolarHBondContact O-N 3.48Å |
| 192 | K | 96.8 | Very high | 96.2 | Very high | 105 Ų | 105 | 108.8 Ų | 108.8 | 46% | 0.457 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -37.7 | 174.1 | -73 | 164.5 | -166.7 | 149.6 | 0 | 112 | E188 E189 T190 L196 | E188-K192 WeakPolarHBondContact O-CB 3.35Å; E188-K192 VanDerWaalsContact O-CD 3.26Å; E188-K192 WeakPolarHBondContact O-CD 3.25Å; E188-K192 WeakPolarHBondContact O-CG 3.49Å; E188-K192 PolarHBondContact O-N 3.48Å; E188-K192 VanDerWaalsContact O-N 3.12Å; E188-K192 IonicContact OE2-NZ 3.42Å; E188-K192 PolarHBondContact OE2-NZ 3.26Å; E189-K192 PolarHBondContact O-N 3.2Å; T190-K192 VanDerWaalsContact C-N 3.34Å; T190-K192 PolarHBondContact O-N 3.19Å; K192-L196 WeakPolarHBondContact O-CB 3.28Å; K192-L196 VanDerWaalsContact O-CG 3.24Å; K192-L196 WeakPolarHBondContact O-CG 3.26Å; K192-L196 PolarHBondContact O-N 2.83Å |
| 193 | R | 96.9 | Very high | 96.3 | Very high | 162 Ų | 162 | 107.9 Ų | 107.9 | 61% | 0.611 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.1 | -45.1 | 176.4 | -73.8 | 175.7 | -166.6 | -175.4 | 10 | 111.5 | E189 T190 S191 E195 L196 E197 | E189-R193 VanDerWaalsContact O-CG 3.28Å; E189-R193 WeakPolarHBondContact O-CG 3.37Å; E189-R193 PolarHBondContact O-N 2.98Å; E189-R193 IonicContact OE2-NH2 3.57Å; E189-R193 PolarHBondContact OE2-NH2 3.22Å; T190-R193 WeakPolarHBondContact O-CB 3.29Å; T190-R193 PolarHBondContact O-N 2.68Å; T190-R193 VanDerWaalsContact O-N 3.09Å; S191-R193 VanDerWaalsContact C-N 3.32Å; S191-R193 PolarHBondContact O-N 3.31Å; R193-E195 VanDerWaalsContact C-N 3.33Å; R193-E195 PolarHBondContact O-N 3.4Å; R193-L196 PolarHBondContact O-N 3.36Å; R193-E197 WeakPolarHBondContact O-CB 3.34Å; R193-E197 PolarHBondContact O-N 3.42Å |
| 194 | E | 96.2 | Very high | 96.2 | Very high | 127 Ų | 127 | 106.6 Ų | 106.6 | 59% | 0.593 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.9 | -41.3 | 176.2 | -71.6 | 174.3 | -176.2 | 0 | 0 | 111.5 | T190 S191 E197 K198 | T190-E194 WeakPolarHBondContact O-CG 3.32Å; T190-E194 PolarHBondContact O-N 2.87Å; S191-E194 PolarHBondContact O-N 3.49Å; E194-E197 PolarHBondContact O-N 2.98Å; E194-K198 WeakPolarHBondContact O-CB 3.29Å; E194-K198 PolarHBondContact O-N 3.45Å |
| 195 | E | 96.3 | Very high | 96.3 | Very high | 121 Ų | 121 | 112.1 Ų | 112.1 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.1 | -44.4 | 174 | -76.9 | 173.6 | -166.6 | 0 | 0 | 111.7 | S191 R193 K198 I199 | S191-E195 WeakPolarHBondContact O-CB 3.32Å; S191-E195 VanDerWaalsContact O-CG 3.28Å; S191-E195 WeakPolarHBondContact O-CG 3.46Å; S191-E195 PolarHBondContact O-N 3.48Å; R193-E195 VanDerWaalsContact C-N 3.33Å; R193-E195 PolarHBondContact O-N 3.4Å; E195-K198 PolarHBondContact O-N 3.4Å; E195-I199 VanDerWaalsContact O-CG1 3.28Å; E195-I199 WeakPolarHBondContact O-CG1 3.27Å; E195-I199 PolarHBondContact O-N 2.73Å |
| 196 | L | 96.2 | Very high | 96.3 | Very high | 108 Ų | 108 | 110.5 Ų | 110.5 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.5 | -42.3 | 176.2 | -72.8 | 172.3 | 0 | 0 | 0 | 112 | K192 R193 K198 I199 L200 | K192-L196 WeakPolarHBondContact O-CB 3.28Å; K192-L196 VanDerWaalsContact O-CG 3.24Å; K192-L196 WeakPolarHBondContact O-CG 3.26Å; K192-L196 PolarHBondContact O-N 2.83Å; R193-L196 PolarHBondContact O-N 3.36Å; L196-K198 VanDerWaalsContact C-N 3.35Å; L196-I199 PolarHBondContact O-N 3.23Å; L196-L200 WeakPolarHBondContact O-CG 3.46Å; L196-L200 PolarHBondContact O-N 3.42Å |
| 197 | E | 95.8 | Very high | 96.4 | Very high | 115 Ų | 115 | 108.4 Ų | 108.4 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 176.3 | -175.7 | 168.5 | -158.1 | 0 | 0 | 110.8 | R193 E194 I199 L200 E201 | R193-E197 WeakPolarHBondContact O-CB 3.34Å; R193-E197 PolarHBondContact O-N 3.42Å; E194-E197 PolarHBondContact O-N 2.98Å; E197-I199 VanDerWaalsContact C-N 3.33Å; E197-I199 PolarHBondContact O-N 2.75Å; E197-L200 WeakPolarHBondContact O-CB 3.26Å; E197-L200 PolarHBondContact O-N 2.84Å; E197-L200 VanDerWaalsContact O-N 3.12Å; E197-E201 WeakPolarHBondContact O-CG 3.21Å; E197-E201 PolarHBondContact O-N 2.91Å |
| 198 | K | 97.7 | Very high | 96.4 | Very high | 129 Ų | 129 | 104.7 Ų | 104.7 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.5 | -42.3 | 175.3 | -170.8 | 176.7 | -179.3 | -179.1 | 0 | 112.4 | E194 E195 L196 L200 E201 E202 | E194-K198 WeakPolarHBondContact O-CB 3.29Å; E194-K198 PolarHBondContact O-N 3.45Å; E195-K198 PolarHBondContact O-N 3.4Å; L196-K198 VanDerWaalsContact C-N 3.35Å; K198-L200 VanDerWaalsContact C-N 3.35Å; K198-E201 PolarHBondContact O-N 3.26Å; K198-E202 WeakPolarHBondContact O-CB 3.27Å; K198-E202 WeakPolarHBondContact O-CG 3.33Å; K198-E202 PolarHBondContact O-N 2.94Å |
| 199 | I | 96.6 | Very high | 96.4 | Very high | 104 Ų | 104 | 104.3 Ų | 104.3 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 175.6 | -69.2 | 165 | 0 | 0 | 0 | 110.9 | E195 L196 E197 E202 N203 | E195-I199 VanDerWaalsContact O-CG1 3.28Å; E195-I199 WeakPolarHBondContact O-CG1 3.27Å; E195-I199 PolarHBondContact O-N 2.73Å; L196-I199 PolarHBondContact O-N 3.23Å; E197-I199 VanDerWaalsContact C-N 3.33Å; E197-I199 PolarHBondContact O-N 2.75Å; I199-E202 PolarHBondContact O-N 3.09Å; I199-N203 WeakPolarHBondContact O-CB 3.49Å; I199-N203 PolarHBondContact O-N 3.28Å |
| 200 | L | 95.3 | Very high | 96.5 | Very high | 108 Ų | 108 | 101.6 Ų | 101.6 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66 | -42 | 177.7 | -71.3 | 174.4 | 0 | 0 | 0 | 111.6 | L196 E197 K198 N203 N204 | L196-L200 WeakPolarHBondContact O-CG 3.46Å; L196-L200 PolarHBondContact O-N 3.42Å; E197-L200 WeakPolarHBondContact O-CB 3.26Å; E197-L200 PolarHBondContact O-N 2.84Å; E197-L200 VanDerWaalsContact O-N 3.12Å; K198-L200 VanDerWaalsContact C-N 3.35Å; L200-N203 PolarHBondContact O-N 2.84Å; L200-N204 WeakPolarHBondContact O-CB 3.38Å; L200-N204 PolarHBondContact O-N 3.35Å; L200-N204 PolarHBondContact O-ND2 3.46Å |
| 201 | E | 96.3 | Very high | 96.4 | Very high | 92 Ų | 92 | 104.4 Ų | 104.4 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -47 | 174.2 | -75.1 | -171.9 | 176 | 0 | 0 | 111.8 | E197 K198 N203 N204 R205 | E197-E201 WeakPolarHBondContact O-CG 3.21Å; E197-E201 PolarHBondContact O-N 2.91Å; K198-E201 PolarHBondContact O-N 3.26Å; E201-N203 VanDerWaalsContact C-N 3.29Å; E201-N203 PolarHBondContact O-N 3.33Å; E201-N204 PolarHBondContact O-N 3.4Å; E201-R205 WeakPolarHBondContact O-CB 3.34Å; E201-R205 WeakPolarHBondContact O-CG 3.26Å; E201-R205 PolarHBondContact O-N 2.77Å |
| 202 | E | 96.8 | Very high | 96.4 | Very high | 89 Ų | 89 | 105 Ų | 105 | 42% | 0.416 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.7 | -36.8 | 176.7 | -74.6 | -179.8 | -168.3 | 0 | 0 | 112 | K198 I199 K206 | K198-E202 WeakPolarHBondContact O-CB 3.27Å; K198-E202 WeakPolarHBondContact O-CG 3.33Å; K198-E202 PolarHBondContact O-N 2.94Å; I199-E202 PolarHBondContact O-N 3.09Å; E202-K206 VanDerWaalsContact O-CG 3.31Å; E202-K206 WeakPolarHBondContact O-CG 3.21Å; E202-K206 PolarHBondContact O-N 2.88Å; E202-K206 VanDerWaalsContact O-N 3.07Å |
| 203 | N | 96.9 | Very high | 96.5 | Very high | 83 Ų | 83 | 106.4 Ų | 106.4 | 44% | 0.444 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.2 | -46.5 | 175 | -165.7 | -84.6 | 0 | 0 | 0 | 111.5 | I199 L200 E201 R205 K206 I207 | I199-N203 WeakPolarHBondContact O-CB 3.49Å; I199-N203 PolarHBondContact O-N 3.28Å; L200-N203 PolarHBondContact O-N 2.84Å; E201-N203 VanDerWaalsContact C-N 3.29Å; E201-N203 PolarHBondContact O-N 3.33Å; N203-R205 VanDerWaalsContact C-N 3.32Å; N203-R205 PolarHBondContact O-N 2.94Å; N203-K206 WeakPolarHBondContact O-CB 3.42Å; N203-K206 PolarHBondContact O-N 3.36Å; N203-K206 VanDerWaalsContact O-N 3.14Å; N203-I207 WeakPolarHBondContact O-CG1 3.38Å; N203-I207 PolarHBondContact O-N 3.43Å; N203-I207 VanDerWaalsContact OD1-CD1 3.26Å; N203-I207 WeakPolarHBondContact OD1-CD1 3.2Å |
| 204 | N | 96.1 | Very high | 96.3 | Very high | 99 Ų | 99 | 103.5 Ų | 103.5 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 176.8 | -74.2 | -24.4 | 0 | 0 | 0 | 111.7 | L200 E201 I207 A208 | L200-N204 WeakPolarHBondContact O-CB 3.38Å; L200-N204 PolarHBondContact O-N 3.35Å; L200-N204 PolarHBondContact O-ND2 3.46Å; E201-N204 PolarHBondContact O-N 3.4Å; N204-I207 PolarHBondContact O-N 2.97Å; N204-A208 WeakPolarHBondContact O-CB 3.33Å; N204-A208 PolarHBondContact O-N 3.26Å |
| 205 | R | 97.2 | Very high | 96.3 | Very high | 162 Ų | 162 | 99.6 Ų | 99.6 | 61% | 0.611 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60 | -46.6 | 172.7 | -74.8 | 178.9 | -170 | -176.8 | 7.3 | 111.5 | E201 N203 I207 A208 D209 | E201-R205 WeakPolarHBondContact O-CB 3.34Å; E201-R205 WeakPolarHBondContact O-CG 3.26Å; E201-R205 PolarHBondContact O-N 2.77Å; N203-R205 VanDerWaalsContact C-N 3.32Å; N203-R205 PolarHBondContact O-N 2.94Å; R205-I207 VanDerWaalsContact C-N 3.31Å; R205-I207 PolarHBondContact O-N 3.47Å; R205-A208 PolarHBondContact O-N 3.07Å; R205-D209 WeakPolarHBondContact O-CB 3.45Å; R205-D209 VanDerWaalsContact O-CG 3.25Å; R205-D209 PolarHBondContact O-N 3.45Å |
| 206 | K | 97.3 | Very high | 96.2 | Very high | 141 Ų | 141 | 98.4 Ų | 98.4 | 61% | 0.613 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.9 | -38.9 | 176.5 | -73.2 | 168.6 | -176.5 | 168.7 | 0 | 112.4 | E202 N203 A210 | E202-K206 VanDerWaalsContact O-CG 3.31Å; E202-K206 WeakPolarHBondContact O-CG 3.21Å; E202-K206 PolarHBondContact O-N 2.88Å; E202-K206 VanDerWaalsContact O-N 3.07Å; N203-K206 WeakPolarHBondContact O-CB 3.42Å; N203-K206 PolarHBondContact O-N 3.36Å; N203-K206 VanDerWaalsContact O-N 3.14Å; K206-A210 VanDerWaalsContact O-CB 3.3Å; K206-A210 WeakPolarHBondContact O-CB 3.3Å; K206-A210 PolarHBondContact O-N 2.91Å |
| 207 | I | 96.6 | Very high | 96.1 | Very high | 77 Ų | 77 | 98.3 Ų | 98.3 | 40% | 0.395 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.9 | -47.1 | 175.6 | -67.9 | 169.4 | 0 | 0 | 0 | 110.3 | N203 N204 R205 D209 A210 Q211 | N203-I207 WeakPolarHBondContact O-CG1 3.38Å; N203-I207 PolarHBondContact O-N 3.43Å; N203-I207 VanDerWaalsContact OD1-CD1 3.26Å; N203-I207 WeakPolarHBondContact OD1-CD1 3.2Å; N204-I207 PolarHBondContact O-N 2.97Å; R205-I207 VanDerWaalsContact C-N 3.31Å; R205-I207 PolarHBondContact O-N 3.47Å; I207-D209 PolarHBondContact O-N 2.9Å; I207-A210 PolarHBondContact O-N 3.29Å; I207-Q211 HydrophobicContact CG2-CG 4.38Å; I207-Q211 WeakPolarHBondContact O-CB 3.33Å; I207-Q211 WeakPolarHBondContact O-CG 3.39Å; I207-Q211 PolarHBondContact O-N 3.24Å |
| 208 | A | 96.1 | Very high | 96.1 | Very high | 50 Ų | 50 | 99.1 Ų | 99.1 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N204 R205 A210 Q211 A212 | N204-A208 WeakPolarHBondContact O-CB 3.33Å; N204-A208 PolarHBondContact O-N 3.26Å; R205-A208 PolarHBondContact O-N 3.07Å; A208-A210 VanDerWaalsContact C-N 3.35Å; A208-A210 PolarHBondContact O-N 3.32Å; A208-Q211 PolarHBondContact O-N 2.82Å; A208-A212 WeakPolarHBondContact O-CB 3.36Å; A208-A212 PolarHBondContact O-N 3.08Å |
| 209 | D | 96.3 | Very high | 95.9 | Very high | 99 Ų | 99 | 98.2 Ų | 98.2 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 176.5 | -70.9 | -16.2 | 0 | 0 | 0 | 111.7 | R205 I207 A212 K213 | R205-D209 WeakPolarHBondContact O-CB 3.45Å; R205-D209 VanDerWaalsContact O-CG 3.25Å; R205-D209 PolarHBondContact O-N 3.45Å; I207-D209 PolarHBondContact O-N 2.9Å; D209-A212 PolarHBondContact O-N 3.47Å; D209-K213 WeakPolarHBondContact O-CG 3.3Å; D209-K213 PolarHBondContact O-N 3.47Å |
| 210 | A | 96.3 | Very high | 95.8 | Very high | 49 Ų | 49 | 100.4 Ų | 100.4 | 41% | 0.405 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K206 I207 A208 K213 L214 | K206-A210 VanDerWaalsContact O-CB 3.3Å; K206-A210 WeakPolarHBondContact O-CB 3.3Å; K206-A210 PolarHBondContact O-N 2.91Å; I207-A210 PolarHBondContact O-N 3.29Å; A208-A210 VanDerWaalsContact C-N 3.35Å; A208-A210 PolarHBondContact O-N 3.32Å; A210-K213 PolarHBondContact O-N 2.78Å; A210-L214 WeakPolarHBondContact O-CG 3.43Å; A210-L214 PolarHBondContact O-N 2.88Å |
| 211 | Q | 95.1 | Very high | 95.7 | Very high | 127 Ų | 127 | 99.6 Ų | 99.6 | 59% | 0.593 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.3 | -41 | 175.2 | -73.2 | 177.2 | -6.2 | 0 | 0 | 111.8 | I207 A208 L214 A215 | I207-Q211 HydrophobicContact CG2-CG 4.38Å; I207-Q211 WeakPolarHBondContact O-CB 3.33Å; I207-Q211 WeakPolarHBondContact O-CG 3.39Å; I207-Q211 PolarHBondContact O-N 3.24Å; A208-Q211 PolarHBondContact O-N 2.82Å; Q211-L214 PolarHBondContact O-N 3.31Å; Q211-A215 WeakPolarHBondContact O-CB 3.3Å; Q211-A215 PolarHBondContact O-N 2.85Å |
| 212 | A | 96.8 | Very high | 95.6 | Very high | 58 Ų | 58 | 99.5 Ų | 99.5 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A208 D209 A215 E216 | A208-A212 WeakPolarHBondContact O-CB 3.36Å; A208-A212 PolarHBondContact O-N 3.08Å; D209-A212 PolarHBondContact O-N 3.47Å; A212-A215 PolarHBondContact O-N 3.45Å; A212-E216 WeakPolarHBondContact O-CB 3.34Å; A212-E216 PolarHBondContact O-N 3.28Å |
| 213 | K | 96.9 | Very high | 95.4 | Very high | 134 Ų | 134 | 100.7 Ų | 100.7 | 58% | 0.583 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.4 | -44.9 | 174.7 | -74.8 | 175.5 | -178.4 | 179.2 | 0 | 112.5 | D209 A210 A215 E216 E217 | D209-K213 WeakPolarHBondContact O-CG 3.3Å; D209-K213 PolarHBondContact O-N 3.47Å; A210-K213 PolarHBondContact O-N 2.78Å; K213-A215 VanDerWaalsContact C-N 3.31Å; K213-A215 PolarHBondContact O-N 3.3Å; K213-E216 PolarHBondContact O-N 3Å; K213-E217 WeakPolarHBondContact O-CG 3.38Å; K213-E217 PolarHBondContact O-N 3.45Å |
| 214 | L | 94.6 | Very high | 95.3 | Very high | 101 Ų | 101 | 102.4 Ų | 102.4 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 176 | -72.6 | 171.6 | 0 | 0 | 0 | 111.6 | A210 Q211 E217 Q218 | A210-L214 WeakPolarHBondContact O-CG 3.43Å; A210-L214 PolarHBondContact O-N 2.88Å; Q211-L214 PolarHBondContact O-N 3.31Å; L214-E217 PolarHBondContact O-N 3.46Å; L214-Q218 WeakPolarHBondContact O-CB 3.37Å; L214-Q218 VanDerWaalsContact O-CG 3.28Å; L214-Q218 WeakPolarHBondContact O-CG 3.36Å; L214-Q218 PolarHBondContact O-N 3.48Å |
| 215 | A | 95.3 | Very high | 95.1 | Very high | 45 Ų | 45 | 103.6 Ų | 103.6 | 37% | 0.372 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q211 A212 K213 Q218 L219 | Q211-A215 WeakPolarHBondContact O-CB 3.3Å; Q211-A215 PolarHBondContact O-N 2.85Å; A212-A215 PolarHBondContact O-N 3.45Å; K213-A215 VanDerWaalsContact C-N 3.31Å; K213-A215 PolarHBondContact O-N 3.3Å; A215-Q218 PolarHBondContact O-N 2.97Å; A215-L219 WeakPolarHBondContact O-CB 3.33Å; A215-L219 WeakPolarHBondContact O-CG 3.16Å; A215-L219 PolarHBondContact O-N 2.84Å |
| 216 | E | 94.4 | Very high | 94.9 | Very high | 96 Ų | 96 | 104.1 Ų | 104.1 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 175.2 | -169.1 | -172.3 | 162 | 0 | 0 | 111.6 | A212 K213 L219 R220 | A212-E216 WeakPolarHBondContact O-CB 3.34Å; A212-E216 PolarHBondContact O-N 3.28Å; K213-E216 PolarHBondContact O-N 3Å; E216-L219 PolarHBondContact O-N 2.89Å; E216-R220 WeakPolarHBondContact O-CG 3.4Å; E216-R220 PolarHBondContact O-N 2.92Å; E216-R220 IonicContact OE1-CZ 3.3Å; E216-R220 VanDerWaalsContact OE1-CZ 3.3Å; E216-R220 IonicContact OE1-NE 3.37Å; E216-R220 IonicContact OE1-NH2 2.65Å; E216-R220 PolarHBondContact OE1-NH2 3.44Å |
| 217 | E | 94.4 | Very high | 94.8 | Very high | 107 Ų | 107 | 103.5 Ų | 103.5 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 175 | -74.5 | 177.3 | -179.9 | 0 | 0 | 111.9 | K213 L214 L219 R220 I221 | K213-E217 WeakPolarHBondContact O-CG 3.38Å; K213-E217 PolarHBondContact O-N 3.45Å; L214-E217 PolarHBondContact O-N 3.46Å; E217-L219 VanDerWaalsContact C-N 3.35Å; E217-L219 PolarHBondContact O-N 3.44Å; E217-R220 PolarHBondContact O-N 2.89Å; E217-I221 WeakPolarHBondContact O-CG1 3.17Å; E217-I221 PolarHBondContact O-N 2.82Å |
| 218 | Q | 94.3 | Very high | 94.6 | Very high | 132 Ų | 132 | 103.3 Ų | 103.3 | 62% | 0.617 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.3 | -43.8 | 174.6 | -74.9 | 178.1 | 1.8 | 0 | 0 | 111.9 | L214 A215 I221 V222 | L214-Q218 WeakPolarHBondContact O-CB 3.37Å; L214-Q218 VanDerWaalsContact O-CG 3.28Å; L214-Q218 WeakPolarHBondContact O-CG 3.36Å; L214-Q218 PolarHBondContact O-N 3.48Å; A215-Q218 PolarHBondContact O-N 2.97Å; Q218-I221 PolarHBondContact O-N 2.88Å; Q218-V222 WeakPolarHBondContact O-CG2 3.31Å; Q218-V222 PolarHBondContact O-N 3.44Å; Q218-V222 VanDerWaalsContact O-N 3.08Å |
| 219 | L | 94.8 | Very high | 94.5 | Very high | 109 Ų | 109 | 106.7 Ų | 106.7 | 57% | 0.571 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.5 | -44.2 | 175.2 | -78.1 | 166 | 0 | 0 | 0 | 111.7 | A215 E216 E217 I221 V222 E223 | A215-L219 WeakPolarHBondContact O-CB 3.33Å; A215-L219 WeakPolarHBondContact O-CG 3.16Å; A215-L219 PolarHBondContact O-N 2.84Å; E216-L219 PolarHBondContact O-N 2.89Å; E217-L219 VanDerWaalsContact C-N 3.35Å; E217-L219 PolarHBondContact O-N 3.44Å; L219-I221 VanDerWaalsContact C-N 3.34Å; L219-I221 PolarHBondContact O-N 2.86Å; L219-V222 PolarHBondContact O-N 3.36Å; L219-E223 WeakPolarHBondContact O-CG 3.33Å; L219-E223 PolarHBondContact O-N 3.35Å |
| 220 | R | 94.3 | Very high | 94.3 | Very high | 150 Ų | 150 | 106.9 Ų | 106.9 | 57% | 0.566 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.4 | -42.8 | 176.2 | -76.1 | 179.8 | -177.3 | 176 | 3.2 | 112.5 | E216 E217 V222 E223 E224 | E216-R220 WeakPolarHBondContact O-CG 3.4Å; E216-R220 PolarHBondContact O-N 2.92Å; E216-R220 IonicContact OE1-CZ 3.3Å; E216-R220 VanDerWaalsContact OE1-CZ 3.3Å; E216-R220 IonicContact OE1-NE 3.37Å; E216-R220 IonicContact OE1-NH2 2.65Å; E216-R220 PolarHBondContact OE1-NH2 3.44Å; E217-R220 PolarHBondContact O-N 2.89Å; R220-V222 VanDerWaalsContact C-N 3.33Å; R220-V222 PolarHBondContact O-N 2.85Å; R220-E223 PolarHBondContact O-N 3.46Å; R220-E224 WeakPolarHBondContact O-CB 3.48Å; R220-E224 PolarHBondContact O-N 2.98Å |
| 221 | I | 93.6 | Very high | 94.1 | Very high | 92 Ų | 92 | 110.6 Ų | 110.6 | 47% | 0.472 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 176.7 | -68.4 | 165.5 | 0 | 0 | 0 | 110.5 | E217 Q218 L219 E224 Q225 | E217-I221 WeakPolarHBondContact O-CG1 3.17Å; E217-I221 PolarHBondContact O-N 2.82Å; Q218-I221 PolarHBondContact O-N 2.88Å; L219-I221 VanDerWaalsContact C-N 3.34Å; L219-I221 PolarHBondContact O-N 2.86Å; I221-E224 PolarHBondContact O-N 3.24Å; I221-Q225 HydrophobicContact CG2-CG 4.49Å; I221-Q225 WeakPolarHBondContact O-CB 3.37Å; I221-Q225 VanDerWaalsContact O-CG 3.29Å; I221-Q225 WeakPolarHBondContact O-CG 3.27Å; I221-Q225 PolarHBondContact O-N 3.39Å |
| 222 | V | 94.4 | Very high | 93.9 | Very high | 89 Ų | 89 | 112.7 Ų | 112.7 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 178.2 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | Q218 L219 R220 Q225 R226 | Q218-V222 WeakPolarHBondContact O-CG2 3.31Å; Q218-V222 PolarHBondContact O-N 3.44Å; Q218-V222 VanDerWaalsContact O-N 3.08Å; L219-V222 PolarHBondContact O-N 3.36Å; R220-V222 VanDerWaalsContact C-N 3.33Å; R220-V222 PolarHBondContact O-N 2.85Å; V222-Q225 PolarHBondContact O-N 3.17Å; V222-R226 WeakPolarHBondContact O-CB 3.37Å; V222-R226 PolarHBondContact O-N 3.01Å |
| 223 | E | 92.9 | Very high | 93.5 | Very high | 115 Ų | 115 | 114.2 Ų | 114.2 | 54% | 0.537 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 174.7 | -73.8 | -178.3 | 174.1 | 0 | 0 | 112.3 | L219 R220 R226 K227 | L219-E223 WeakPolarHBondContact O-CG 3.33Å; L219-E223 PolarHBondContact O-N 3.35Å; R220-E223 PolarHBondContact O-N 3.46Å; E223-R226 WeakPolarHBondContact O-CB 3.38Å; E223-R226 PolarHBondContact O-N 2.79Å; E223-K227 WeakPolarHBondContact O-CG 3.27Å; E223-K227 PolarHBondContact O-N 3.37Å |
| 224 | E | 93.3 | Very high | 93.4 | Very high | 119 Ų | 119 | 114.4 Ų | 114.4 | 56% | 0.556 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.4 | -44.4 | 176.1 | -170.5 | 177.9 | 175 | 0 | 0 | 111.4 | R220 I221 R226 K227 I228 | R220-E224 WeakPolarHBondContact O-CB 3.48Å; R220-E224 PolarHBondContact O-N 2.98Å; I221-E224 PolarHBondContact O-N 3.24Å; E224-R226 VanDerWaalsContact C-N 3.27Å; E224-R226 PolarHBondContact O-N 3.09Å; E224-K227 PolarHBondContact O-N 3.07Å; E224-K227 VanDerWaalsContact O-N 3.14Å; E224-I228 HydrophobicContact CG-CD1 4.13Å; E224-I228 WeakPolarHBondContact O-CG1 3.49Å; E224-I228 PolarHBondContact O-N 2.97Å |
| 225 | Q | 92.1 | Very high | 93.1 | Very high | 124 Ų | 124 | 114.8 Ų | 114.8 | 58% | 0.579 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58.6 | -40.3 | 172.9 | -75.9 | -178 | -1.3 | 0 | 0 | 111.8 | I221 V222 I228 H229 | I221-Q225 HydrophobicContact CG2-CG 4.49Å; I221-Q225 WeakPolarHBondContact O-CB 3.37Å; I221-Q225 VanDerWaalsContact O-CG 3.29Å; I221-Q225 WeakPolarHBondContact O-CG 3.27Å; I221-Q225 PolarHBondContact O-N 3.39Å; V222-Q225 PolarHBondContact O-N 3.17Å; Q225-I228 PolarHBondContact O-N 3.35Å; Q225-H229 WeakPolarHBondContact O-CB 3.48Å; Q225-H229 PolarHBondContact O-N 2.85Å |
| 226 | R | 94.2 | Very high | 92.8 | Very high | 173 Ų | 173 | 116.4 Ų | 116.4 | 65% | 0.653 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.3 | -44.5 | 174.8 | -176.3 | -178.9 | 170.9 | 173.7 | 3.6 | 111.5 | V222 E223 E224 H229 E230 | V222-R226 WeakPolarHBondContact O-CB 3.37Å; V222-R226 PolarHBondContact O-N 3.01Å; E223-R226 WeakPolarHBondContact O-CB 3.38Å; E223-R226 PolarHBondContact O-N 2.79Å; E224-R226 VanDerWaalsContact C-N 3.27Å; E224-R226 PolarHBondContact O-N 3.09Å; R226-H229 PolarHBondContact O-N 3.46Å; R226-E230 IonicContact CZ-OE1 3.75Å; R226-E230 IonicContact NE-OE1 2.98Å; R226-E230 PolarHBondContact NE-OE1 3.32Å; R226-E230 IonicContact NH2-OE1 3.67Å; R226-E230 WeakPolarHBondContact O-CG 3.1Å; R226-E230 PolarHBondContact O-N 3.23Å |
| 227 | K | 95.1 | Very high | 92.6 | Very high | 128 Ų | 128 | 116.4 Ų | 116.4 | 56% | 0.557 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.3 | -46.8 | 175.3 | -76.6 | 176.8 | -178.5 | 172.6 | 0 | 112 | E223 E224 H229 E230 E231 | E223-K227 WeakPolarHBondContact O-CG 3.27Å; E223-K227 PolarHBondContact O-N 3.37Å; E224-K227 PolarHBondContact O-N 3.07Å; E224-K227 VanDerWaalsContact O-N 3.14Å; K227-H229 VanDerWaalsContact C-N 3.26Å; K227-H229 PolarHBondContact O-N 3.15Å; K227-E230 PolarHBondContact O-N 2.92Å; K227-E231 WeakPolarHBondContact O-CB 3.36Å; K227-E231 WeakPolarHBondContact O-CG 3.41Å; K227-E231 PolarHBondContact O-N 3.26Å |
| 228 | I | 92.6 | Very high | 92.3 | Very high | 73 Ų | 73 | 114 Ų | 114 | 37% | 0.374 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 176.9 | -67.8 | 166.7 | 0 | 0 | 0 | 110.4 | E224 Q225 E231 R232 | E224-I228 HydrophobicContact CG-CD1 4.13Å; E224-I228 WeakPolarHBondContact O-CG1 3.49Å; E224-I228 PolarHBondContact O-N 2.97Å; Q225-I228 PolarHBondContact O-N 3.35Å; I228-E231 PolarHBondContact O-N 3.2Å; I228-R232 WeakPolarHBondContact O-CB 3.29Å; I228-R232 WeakPolarHBondContact O-CG 3.28Å; I228-R232 PolarHBondContact O-N 2.98Å |
| 229 | H | 92 | Very high | 92.1 | Very high | 120 Ų | 120 | 115.4 Ų | 115.4 | 56% | 0.556 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.6 | -43.9 | 176.9 | -171.5 | -79.4 | 0 | 0 | 0 | 111.9 | Q225 R226 K227 E231 R232 M233 | Q225-H229 WeakPolarHBondContact O-CB 3.48Å; Q225-H229 PolarHBondContact O-N 2.85Å; R226-H229 PolarHBondContact O-N 3.46Å; K227-H229 VanDerWaalsContact C-N 3.26Å; K227-H229 PolarHBondContact O-N 3.15Å; H229-E231 VanDerWaalsContact C-N 3.35Å; H229-E231 PolarHBondContact O-N 3.47Å; H229-R232 PolarHBondContact O-N 2.98Å; H229-M233 VanDerWaalsContact O-CG 3.3Å; H229-M233 WeakPolarHBondContact O-CG 3.38Å; H229-M233 PolarHBondContact O-N 3.37Å |
| 230 | E | 92.8 | Very high | 91.7 | Very high | 104 Ų | 104 | 115.3 Ų | 115.3 | 49% | 0.486 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 174.6 | -74.5 | 174.8 | -169.7 | 0 | 0 | 111.6 | R226 K227 M233 K234 | R226-E230 IonicContact CZ-OE1 3.75Å; R226-E230 IonicContact NE-OE1 2.98Å; R226-E230 PolarHBondContact NE-OE1 3.32Å; R226-E230 IonicContact NH2-OE1 3.67Å; R226-E230 WeakPolarHBondContact O-CG 3.1Å; R226-E230 PolarHBondContact O-N 3.23Å; K227-E230 PolarHBondContact O-N 2.92Å; E230-M233 PolarHBondContact O-N 2.9Å; E230-K234 WeakPolarHBondContact O-CB 3.46Å; E230-K234 PolarHBondContact O-N 3.24Å |
| 231 | E | 92.2 | Very high | 91.4 | Very high | 126 Ų | 126 | 114.9 Ų | 114.9 | 59% | 0.589 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.1 | -42.7 | 175.3 | -74.4 | -179 | 179.1 | 0 | 0 | 112.6 | K227 I228 H229 K234 L235 | K227-E231 WeakPolarHBondContact O-CB 3.36Å; K227-E231 WeakPolarHBondContact O-CG 3.41Å; K227-E231 PolarHBondContact O-N 3.26Å; I228-E231 PolarHBondContact O-N 3.2Å; H229-E231 VanDerWaalsContact C-N 3.35Å; H229-E231 PolarHBondContact O-N 3.47Å; E231-K234 PolarHBondContact O-N 3Å; E231-L235 WeakPolarHBondContact O-CB 3.3Å; E231-L235 PolarHBondContact O-N 3.46Å |
| 232 | R | 91.5 | Very high | 91.1 | Very high | 171 Ų | 171 | 115.7 Ų | 115.7 | 65% | 0.645 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60 | -47.1 | 174.2 | -80.3 | -177.4 | 179.1 | -171.5 | 1.2 | 111.6 | I228 H229 K234 L235 D236 | I228-R232 WeakPolarHBondContact O-CB 3.29Å; I228-R232 WeakPolarHBondContact O-CG 3.28Å; I228-R232 PolarHBondContact O-N 2.98Å; H229-R232 PolarHBondContact O-N 2.98Å; R232-K234 VanDerWaalsContact C-N 3.26Å; R232-K234 PolarHBondContact O-N 2.87Å; R232-L235 PolarHBondContact O-N 3.42Å; R232-D236 WeakPolarHBondContact O-CB 3.28Å; R232-D236 PolarHBondContact O-N 2.94Å |
| 233 | M | 88.9 | Confident | 90.7 | Very high | 90 Ų | 90 | 116.8 Ų | 116.8 | 44% | 0.443 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 177.3 | -71.4 | -60.1 | -64 | 0 | 0 | 111.9 | H229 E230 Q237 | H229-M233 VanDerWaalsContact O-CG 3.3Å; H229-M233 WeakPolarHBondContact O-CG 3.38Å; H229-M233 PolarHBondContact O-N 3.37Å; E230-M233 PolarHBondContact O-N 2.9Å; M233-Q237 WeakPolarHBondContact O-CB 3.31Å; M233-Q237 VanDerWaalsContact O-CG 3.26Å; M233-Q237 WeakPolarHBondContact O-CG 3.49Å; M233-Q237 PolarHBondContact O-N 3.27Å |
| 234 | K | 93.4 | Very high | 90.4 | Very high | 138 Ų | 138 | 117.2 Ų | 117.2 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.6 | -45.7 | 176.7 | -163.3 | 177.1 | -178.6 | -177 | 0 | 111.9 | E230 E231 R232 D236 Q237 D238 | E230-K234 WeakPolarHBondContact O-CB 3.46Å; E230-K234 PolarHBondContact O-N 3.24Å; E231-K234 PolarHBondContact O-N 3Å; R232-K234 VanDerWaalsContact C-N 3.26Å; R232-K234 PolarHBondContact O-N 2.87Å; K234-D236 VanDerWaalsContact C-N 3.32Å; K234-D236 PolarHBondContact O-N 3.33Å; K234-Q237 PolarHBondContact O-N 2.88Å; K234-D238 WeakPolarHBondContact O-CB 3.27Å; K234-D238 PolarHBondContact O-N 3.37Å |
| 235 | L | 88.4 | Confident | 89.9 | Confident | 109 Ų | 109 | 117.3 Ų | 117.3 | 57% | 0.571 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.5 | -40.6 | 174.3 | -80.1 | 166.4 | 0 | 0 | 0 | 112.2 | E231 R232 D238 R239 | E231-L235 WeakPolarHBondContact O-CB 3.3Å; E231-L235 PolarHBondContact O-N 3.46Å; R232-L235 PolarHBondContact O-N 3.42Å; L235-D238 PolarHBondContact O-N 2.84Å; L235-R239 WeakPolarHBondContact O-CB 3.29Å; L235-R239 WeakPolarHBondContact O-CG 3.28Å; L235-R239 PolarHBondContact O-N 3.33Å |
| 236 | D | 88.8 | Confident | 89.5 | Confident | 79 Ų | 79 | 116.9 Ų | 116.9 | 42% | 0.422 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.7 | -40.3 | 176.8 | -75.6 | -20.4 | 0 | 0 | 0 | 111.7 | R232 K234 R239 Q240 | R232-D236 WeakPolarHBondContact O-CB 3.28Å; R232-D236 PolarHBondContact O-N 2.94Å; K234-D236 VanDerWaalsContact C-N 3.32Å; K234-D236 PolarHBondContact O-N 3.33Å; D236-R239 PolarHBondContact O-N 2.85Å; D236-Q240 WeakPolarHBondContact O-CG 3.1Å; D236-Q240 PolarHBondContact O-N 2.81Å |
| 237 | Q | 89.9 | Confident | 88.7 | Confident | 96 Ų | 96 | 115 Ų | 115 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 172.1 | -76.3 | 178 | 22.4 | 0 | 0 | 112 | M233 K234 Q240 R241 | M233-Q237 WeakPolarHBondContact O-CB 3.31Å; M233-Q237 VanDerWaalsContact O-CG 3.26Å; M233-Q237 WeakPolarHBondContact O-CG 3.49Å; M233-Q237 PolarHBondContact O-N 3.27Å; K234-Q237 PolarHBondContact O-N 2.88Å; Q237-Q240 PolarHBondContact O-N 3.49Å; Q237-R241 VanDerWaalsContact O-CG 3.3Å; Q237-R241 WeakPolarHBondContact O-CG 3.39Å; Q237-R241 PolarHBondContact O-N 2.85Å |
| 238 | D | 89.6 | Confident | 87.9 | Confident | 58 Ų | 58 | 115 Ų | 115 | 31% | 0.31 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.9 | -39.8 | 179 | -72.2 | -22.3 | 0 | 0 | 0 | 111.4 | K234 L235 Q240 R241 Q242 | K234-D238 WeakPolarHBondContact O-CB 3.27Å; K234-D238 PolarHBondContact O-N 3.37Å; L235-D238 PolarHBondContact O-N 2.84Å; D238-Q240 PolarHBondContact O-N 3.48Å; D238-R241 WeakPolarHBondContact O-CB 3.4Å; D238-R241 PolarHBondContact O-N 3.47Å; D238-R241 IonicContact OD1-NH1 3.45Å; D238-R241 PolarHBondContact OD1-NH1 2.84Å; D238-Q242 WeakPolarHBondContact O-CG 3.2Å; D238-Q242 PolarHBondContact O-N 2.85Å |
| 239 | R | 88.4 | Confident | 86.8 | Confident | 160 Ų | 160 | 118 Ų | 118 | 60% | 0.604 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.6 | -43.5 | 170.6 | -81.1 | 179 | 168.3 | 179.8 | -2.9 | 112.3 | L235 D236 R241 Q242 Q243 | L235-R239 WeakPolarHBondContact O-CB 3.29Å; L235-R239 WeakPolarHBondContact O-CG 3.28Å; L235-R239 PolarHBondContact O-N 3.33Å; D236-R239 PolarHBondContact O-N 2.85Å; R239-R241 VanDerWaalsContact C-N 3.32Å; R239-R241 PolarHBondContact O-N 3.18Å; R239-Q242 PolarHBondContact O-N 2.84Å; R239-Q243 WeakPolarHBondContact O-CB 3.32Å; R239-Q243 WeakPolarHBondContact O-CG 3.21Å; R239-Q243 PolarHBondContact O-N 3.33Å |
| 240 | Q | 87.8 | Confident | 85.8 | Confident | 108 Ų | 108 | 119.5 Ų | 119.5 | 51% | 0.505 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.8 | -36.3 | 175.5 | -75.3 | -176.6 | 11.4 | 0 | 0 | 112.2 | D236 Q237 D238 K244 | D236-Q240 WeakPolarHBondContact O-CG 3.1Å; D236-Q240 PolarHBondContact O-N 2.81Å; Q237-Q240 PolarHBondContact O-N 3.49Å; D238-Q240 PolarHBondContact O-N 3.48Å; Q240-K244 WeakPolarHBondContact O-CB 3.24Å; Q240-K244 VanDerWaalsContact O-CG 3.23Å; Q240-K244 WeakPolarHBondContact O-CG 3.32Å; Q240-K244 PolarHBondContact O-N 3.32Å |
| 241 | R | 88.5 | Confident | 84.7 | Confident | 141 Ų | 141 | 120.1 Ų | 120.1 | 53% | 0.532 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.7 | -47.8 | 173.9 | -74.4 | 170.5 | 180 | 178.5 | -2.1 | 110.8 | Q237 D238 R239 Q243 K244 E245 | Q237-R241 VanDerWaalsContact O-CG 3.3Å; Q237-R241 WeakPolarHBondContact O-CG 3.39Å; Q237-R241 PolarHBondContact O-N 2.85Å; D238-R241 WeakPolarHBondContact O-CB 3.4Å; D238-R241 PolarHBondContact O-N 3.47Å; D238-R241 IonicContact OD1-NH1 3.45Å; D238-R241 PolarHBondContact OD1-NH1 2.84Å; R239-R241 VanDerWaalsContact C-N 3.32Å; R239-R241 PolarHBondContact O-N 3.18Å; R241-Q243 PolarHBondContact O-N 2.87Å; R241-K244 CarbonylContact O-C 3.6Å; R241-K244 WeakPolarHBondContact O-CB 3.25Å; R241-K244 PolarHBondContact O-N 3.32Å; R241-K244 VanDerWaalsContact O-N 3.15Å; R241-E245 WeakPolarHBondContact O-CB 3.38Å; R241-E245 WeakPolarHBondContact O-CG 3.36Å; R241-E245 PolarHBondContact O-N 2.79Å |
| 242 | Q | 86.3 | Confident | 83.2 | Confident | 109 Ų | 109 | 115.8 Ų | 115.8 | 51% | 0.509 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.3 | -48 | 175.4 | -73.1 | 176.1 | -5.6 | 0 | 0 | 111.4 | D238 R239 K244 E245 E246 | D238-Q242 WeakPolarHBondContact O-CG 3.2Å; D238-Q242 PolarHBondContact O-N 2.85Å; R239-Q242 PolarHBondContact O-N 2.84Å; Q242-K244 VanDerWaalsContact C-N 3.31Å; Q242-K244 PolarHBondContact O-N 2.76Å; Q242-E245 CarbonylContact O-C 3.59Å; Q242-E245 PolarHBondContact O-N 3.42Å; Q242-E245 VanDerWaalsContact O-N 3.1Å; Q242-E246 WeakPolarHBondContact O-CB 3.45Å; Q242-E246 WeakPolarHBondContact O-CG 3.2Å; Q242-E246 PolarHBondContact O-N 2.83Å |
| 243 | Q | 86 | Confident | 82 | Confident | 111 Ų | 111 | 114.7 Ų | 114.7 | 52% | 0.519 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.7 | -39.6 | 175.6 | -74.5 | 177.9 | -3.4 | 0 | 0 | 112.5 | R239 R241 Q247 | R239-Q243 WeakPolarHBondContact O-CB 3.32Å; R239-Q243 WeakPolarHBondContact O-CG 3.21Å; R239-Q243 PolarHBondContact O-N 3.33Å; R241-Q243 PolarHBondContact O-N 2.87Å; Q243-Q247 VanDerWaalsContact O-CB 3.25Å; Q243-Q247 WeakPolarHBondContact O-CB 3.42Å; Q243-Q247 VanDerWaalsContact O-CG 3.22Å; Q243-Q247 WeakPolarHBondContact O-CG 3.43Å; Q243-Q247 PolarHBondContact O-N 3.47Å |
| 244 | K | 86.3 | Confident | 80.6 | Confident | 124 Ų | 124 | 113.4 Ų | 113.4 | 54% | 0.539 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67 | -38 | 174.8 | -75.5 | 171 | -177.8 | 174.4 | 0 | 111.9 | Q240 R241 Q242 K248 | Q240-K244 WeakPolarHBondContact O-CB 3.24Å; Q240-K244 VanDerWaalsContact O-CG 3.23Å; Q240-K244 WeakPolarHBondContact O-CG 3.32Å; Q240-K244 PolarHBondContact O-N 3.32Å; R241-K244 CarbonylContact O-C 3.6Å; R241-K244 WeakPolarHBondContact O-CB 3.25Å; R241-K244 PolarHBondContact O-N 3.32Å; R241-K244 VanDerWaalsContact O-N 3.15Å; Q242-K244 VanDerWaalsContact C-N 3.31Å; Q242-K244 PolarHBondContact O-N 2.76Å; K244-K248 WeakPolarHBondContact O-CB 3.28Å; K244-K248 VanDerWaalsContact O-CG 3.23Å; K244-K248 WeakPolarHBondContact O-CG 3.35Å; K244-K248 PolarHBondContact O-N 3.45Å |
| 245 | E | 83.4 | Confident | 79.3 | Confident | 122 Ų | 122 | 117.3 Ų | 117.3 | 57% | 0.57 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.5 | -43.5 | 176.9 | -74.2 | 176.5 | 179 | 0 | 0 | 111.9 | R241 Q242 K248 M249 | R241-E245 WeakPolarHBondContact O-CB 3.38Å; R241-E245 WeakPolarHBondContact O-CG 3.36Å; R241-E245 PolarHBondContact O-N 2.79Å; Q242-E245 CarbonylContact O-C 3.59Å; Q242-E245 PolarHBondContact O-N 3.42Å; Q242-E245 VanDerWaalsContact O-N 3.1Å; E245-K248 CarbonylContact O-C 3.59Å; E245-K248 WeakPolarHBondContact O-CB 3.23Å; E245-K248 PolarHBondContact O-N 2.98Å; E245-M249 WeakPolarHBondContact O-CB 3.31Å; E245-M249 PolarHBondContact O-N 3.42Å |
| 246 | E | 83.2 | Confident | 77.9 | Confident | 115 Ų | 115 | 114.4 Ų | 114.4 | 54% | 0.537 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.9 | -46.7 | 172.1 | -73.6 | 176.3 | 178.1 | 0 | 0 | 111 | Q242 K248 M249 I250 | Q242-E246 WeakPolarHBondContact O-CB 3.45Å; Q242-E246 WeakPolarHBondContact O-CG 3.2Å; Q242-E246 PolarHBondContact O-N 2.83Å; E246-K248 VanDerWaalsContact C-N 3.3Å; E246-K248 PolarHBondContact O-N 2.84Å; E246-M249 WeakPolarHBondContact O-CB 3.41Å; E246-M249 PolarHBondContact O-N 2.99Å; E246-I250 WeakPolarHBondContact O-CB 3.46Å; E246-I250 VanDerWaalsContact O-CG1 3.29Å; E246-I250 WeakPolarHBondContact O-CG1 2.92Å; E246-I250 PolarHBondContact O-N 3.46Å |
| 247 | Q | 77.3 | Confident | 76.7 | Confident | 132 Ų | 132 | 120.8 Ų | 120.8 | 62% | 0.617 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -59.7 | -40.2 | 172.7 | -78.9 | -179.4 | 13.4 | 0 | 0 | 111.7 | Q243 L251 | Q243-Q247 VanDerWaalsContact O-CB 3.25Å; Q243-Q247 WeakPolarHBondContact O-CB 3.42Å; Q243-Q247 VanDerWaalsContact O-CG 3.22Å; Q243-Q247 WeakPolarHBondContact O-CG 3.43Å; Q243-Q247 PolarHBondContact O-N 3.47Å; Q247-L251 WeakPolarHBondContact O-CB 3.44Å; Q247-L251 PolarHBondContact O-N 3.38Å |
| 248 | K | 77.9 | Confident | 75.6 | Confident | 130 Ų | 130 | 121.2 Ų | 121.2 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.7 | -39.9 | 175.3 | -80.7 | 174.3 | 180 | -178.9 | 0 | 112.4 | K244 E245 E246 G252 K253 | K244-K248 WeakPolarHBondContact O-CB 3.28Å; K244-K248 VanDerWaalsContact O-CG 3.23Å; K244-K248 WeakPolarHBondContact O-CG 3.35Å; K244-K248 PolarHBondContact O-N 3.45Å; E245-K248 CarbonylContact O-C 3.59Å; E245-K248 WeakPolarHBondContact O-CB 3.23Å; E245-K248 PolarHBondContact O-N 2.98Å; E246-K248 VanDerWaalsContact C-N 3.3Å; E246-K248 PolarHBondContact O-N 2.84Å; K248-G252 PolarHBondContact O-N 3.24Å; K248-K253 PolarHBondContact O-N 3.47Å |
| 249 | M | 71.1 | Confident | 74.5 | Confident | 135 Ų | 135 | 128.3 Ų | 128.3 | 67% | 0.665 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.6 | -48.6 | 174.9 | -87.8 | -112.5 | -76.1 | 0 | 0 | 111.5 | E245 E246 G252 | E245-M249 WeakPolarHBondContact O-CB 3.31Å; E245-M249 PolarHBondContact O-N 3.42Å; E246-M249 WeakPolarHBondContact O-CB 3.41Å; E246-M249 PolarHBondContact O-N 2.99Å; M249-G252 PolarHBondContact O-N 2.93Å |
| 250 | I | 71.1 | Confident | 73.1 | Confident | 151 Ų | 151 | 127.1 Ų | 127.1 | 77% | 0.774 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67 | -42.2 | 179.1 | -66.1 | 167.1 | 0 | 0 | 0 | 111.2 | E246 G252 | E246-I250 WeakPolarHBondContact O-CB 3.46Å; E246-I250 VanDerWaalsContact O-CG1 3.29Å; E246-I250 WeakPolarHBondContact O-CG1 2.92Å; E246-I250 PolarHBondContact O-N 3.46Å; I250-G252 PolarHBondContact O-N 3.16Å |
| 251 | L | 68.2 | Low | 72 | Confident | 117 Ų | 117 | 127.5 Ų | 127.5 | 61% | 0.613 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -4.1 | 179 | -158.3 | 70.8 | 0 | 0 | 0 | 112.8 | Q247 K253 | Q247-L251 WeakPolarHBondContact O-CB 3.44Å; Q247-L251 PolarHBondContact O-N 3.38Å; L251-K253 HydrophobicContact CD2-CD 3.78Å; L251-K253 HydrophobicContact CD2-CG 4.21Å; L251-K253 HydrophobicContact CG-CD 4.39Å; L251-K253 HydrophobicContact CG-CG 4.3Å; L251-K253 PolarHBondContact O-N 3.32Å; L251-K253 VanDerWaalsContact O-N 3.15Å |
| 252 | G | 61.1 | Low | 70.7 | Confident | 35 Ų | 35 | 128.9 Ų | 128.9 | 36% | 0.361 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 63.8 | 17.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | K248 M249 I250 G254 | K248-G252 PolarHBondContact O-N 3.24Å; M249-G252 PolarHBondContact O-N 2.93Å; I250-G252 PolarHBondContact O-N 3.16Å; G252-G254 PolarHBondContact O-N 3.05Å |
| 253 | K | 66.7 | Low | 69.4 | Low | 148 Ų | 148 | 128.6 Ų | 128.6 | 64% | 0.643 | 65% | 0.653 | S | S | * | * | trans | -87.3 | 113.3 | -178.9 | -70.3 | -170.6 | -176.1 | 174.7 | 0 | 110 | K248 L251 | K248-K253 PolarHBondContact O-N 3.47Å; L251-K253 HydrophobicContact CD2-CD 3.78Å; L251-K253 HydrophobicContact CD2-CG 4.21Å; L251-K253 HydrophobicContact CG-CD 4.39Å; L251-K253 HydrophobicContact CG-CG 4.3Å; L251-K253 PolarHBondContact O-N 3.32Å; L251-K253 VanDerWaalsContact O-N 3.15Å | ||
| 254 | G | 59.8 | Low | 68.1 | Low | 63 Ų | 63 | 131.5 Ų | 131.5 | 65% | 0.649 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 97.3 | 79.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G252 S256 | G252-G254 PolarHBondContact O-N 3.05Å; G254-S256 PolarHBondContact O-N 3.16Å |
| 255 | K | 65.3 | Low | 66.7 | Low | 221 Ų | 221 | 134.3 Ų | 134.3 | 96% | 0.961 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 45.5 | 10.3 | 167 | -56.5 | -177.5 | -176.6 | 179.6 | 0 | 118.1 | R257 | K255-R257 PolarHBondContact O-N 3.26Š|
| 256 | S | 60.1 | Low | 65.4 | Low | 47 Ų | 47 | 133.4 Ų | 133.4 | 33% | 0.329 | 70% | 0.697 | S | S | . | * | trans | -77.9 | -20.8 | -172.9 | 72.2 | 0 | 0 | 0 | 0 | 113.7 | G254 P258 | G254-S256 PolarHBondContact O-N 3.16Å; S256-P258 VanDerWaalsContact O-CD 3.25Å; S256-P258 WeakPolarHBondContact O-CD 3.02Å | ||
| 257 | R | 63.1 | Low | 63.9 | Low | 213 Ų | 213 | 134.1 Ų | 134.1 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -76.3 | 112.7 | -180 | -163.3 | 169.9 | 139.8 | 140.8 | -2.8 | 109 | K255 K259 | K255-R257 PolarHBondContact O-N 3.26Å; R257-K259 PolarHBondContact O-N 2.74Å |
| 258 | P | 66.5 | Low | 62.4 | Low | 105 Ų | 105 | 140.7 Ų | 140.7 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | trans | -57.8 | 127 | 179.4 | -20.6 | 32.4 | 0 | 0 | 0 | 108.9 | S256 L260 | S256-P258 VanDerWaalsContact O-CD 3.25Å; S256-P258 WeakPolarHBondContact O-CD 3.02Å; P258-L260 VanDerWaalsContact C-N 3.27Å; P258-L260 PolarHBondContact O-N 3.06Å | ||
| 259 | K | 65.6 | Low | 61.6 | Low | 207 Ų | 207 | 141.3 Ų | 141.3 | 90% | 0.9 | 75% | 0.749 | S | S | * | * | trans | -68.7 | 92.1 | 171.8 | -76.1 | -166.4 | 176.9 | -175.9 | 0 | 107.7 | R257 S261 | R257-K259 PolarHBondContact O-N 2.74Å; K259-S261 PolarHBondContact O-N 3.44Å | ||
| 260 | L | 60.1 | Low | 61.1 | Low | 135 Ų | 135 | 141.6 Ų | 141.6 | 71% | 0.707 | 75% | 0.753 | S | S | * | * | trans | -67.1 | 97.8 | 166.1 | -78.6 | 157.4 | 0 | 0 | 0 | 107.6 | P258 F262 | P258-L260 VanDerWaalsContact C-N 3.27Å; P258-L260 PolarHBondContact O-N 3.06Å; L260-F262 HydrophobicContact CB-CD2 4.15Å; L260-F262 HydrophobicContact CB-CE2 3.64Å; L260-F262 HydrophobicContact CB-CZ 4.22Å; L260-F262 HydrophobicContact CD1-CE2 4.36Å; L260-F262 HydrophobicContact CD1-CZ 4.41Å; L260-F262 HydrophobicContact CD2-CZ 4.45Å; L260-F262 HydrophobicContact CG-CE2 4.44Å; L260-F262 PolarHBondContact O-N 3.33Å | ||
| 261 | S | 65.3 | Low | 60.6 | Low | 116 Ų | 116 | 141.1 Ų | 141.1 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | -77.7 | 99.8 | 167.1 | 50.8 | 0 | 0 | 0 | 0 | 108.4 | K259 S263 | K259-S261 PolarHBondContact O-N 3.44Å; S261-S263 PolarHBondContact O-N 3.39Å | ||
| 262 | F | 60 | Low | 60.1 | Low | 170 Ų | 170 | 142.5 Ų | 142.5 | 75% | 0.746 | 76% | 0.76 | S | S | * | * | trans | -81.9 | 109.8 | 168.5 | -68.7 | -83.4 | 0 | 0 | 0 | 108.6 | L260 L264 | L260-F262 HydrophobicContact CB-CD2 4.15Å; L260-F262 HydrophobicContact CB-CE2 3.64Å; L260-F262 HydrophobicContact CB-CZ 4.22Å; L260-F262 HydrophobicContact CD1-CE2 4.36Å; L260-F262 HydrophobicContact CD1-CZ 4.41Å; L260-F262 HydrophobicContact CD2-CZ 4.45Å; L260-F262 HydrophobicContact CG-CE2 4.44Å; L260-F262 PolarHBondContact O-N 3.33Å; F262-L264 PolarHBondContact O-N 3.3Å | ||
| 263 | S | 59.1 | Low | 60.1 | Low | 104 Ų | 104 | 149.2 Ų | 149.2 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -75.4 | 104.9 | 165 | 58 | 0 | 0 | 0 | 0 | 108.3 | S261 K265 | S261-S263 PolarHBondContact O-N 3.39Å; S263-K265 PolarHBondContact O-N 2.84Å; S263-K265 VanDerWaalsContact O-N 3.11Å | ||
| 264 | L | 60 | Low | 59.6 | Low | 171 Ų | 171 | 149.3 Ų | 149.3 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -68.2 | 104.5 | 165.5 | -78.4 | 160.9 | 0 | 0 | 0 | 107.4 | F262 A266 | F262-L264 PolarHBondContact O-N 3.3Å; L264-A266 PolarHBondContact O-N 3.23Å; L264-A266 VanDerWaalsContact O-N 3.17Å | ||
| 265 | K | 56.3 | Low | 59.6 | Low | 184 Ų | 184 | 155.4 Ų | 155.4 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -69.3 | 105.2 | 162.7 | -73.8 | -176.2 | 176.9 | -179.1 | 0 | 106.6 | S263 T267 | S263-K265 PolarHBondContact O-N 2.84Å; S263-K265 VanDerWaalsContact O-N 3.11Å; K265-T267 PolarHBondContact O-N 2.8Å | ||
| 266 | A | 55.2 | Low | 59.2 | Low | 102 Ų | 102 | 150.4 Ų | 150.4 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -67.9 | 118.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | L264 | L264-A266 PolarHBondContact O-N 3.23Å; L264-A266 VanDerWaalsContact O-N 3.17Å | ||
| 267 | T | 52 | Low | 59.1 | Low | 130 Ų | 130 | 159 Ų | 159 | 80% | 0.798 | 83% | 0.832 | S | S | * | * | trans | -105.8 | 118.1 | 167.6 | 46.4 | 0 | 0 | 0 | 0 | 107.4 | K265 | K265-T267 PolarHBondContact O-N 2.8Š| ||
| 268 | E | 45.9 | Very low | 58.7 | Low | 271 Ų | 271 | 154.1 Ų | 154.1 | 100% | 1.266 | 83% | 0.834 | S | S | * | * | trans | -59.9 | 0 | 162 | -68.4 | 177 | 155.4 | 0 | 0 | 111.8 |
Retrieved 268 of 268 residues in 559.3 ms
(Link to these results)