| 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 | 32.6 | Very low | 29.5 | Very low | 234 Ų | 234 | 141.9 Ų | 141.9 | 100% | 1.153 | 82% | 0.821 | S | S | * | * | 0 | 162.2 | 0 | -68.6 | -173.4 | 166.7 | 0 | 0 | 107 | |||||
| 2 | D | 26.6 | Very low | 29.4 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | trans | 100.8 | 84.9 | -166.7 | -51.5 | -13.4 | 0 | 0 | 0 | 110.1 | ||||
| 3 | S | 30.3 | Very low | 29.1 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | 48.6 | 91.3 | 59.4 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 4 | A | 30.3 | Very low | 29 | Very low | 86 Ų | 86 | 140 Ų | 140 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | 83 | 123 | 75.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 5 | L | 30.6 | Very low | 29.4 | Very low | 144 Ų | 144 | 139.4 Ų | 139.4 | 75% | 0.754 | 82% | 0.824 | S | S | * | * | trans | 74.8 | 118.5 | 151 | -58.9 | 166.1 | 0 | 0 | 0 | 118.7 | ||||
| 6 | Y | 25.4 | Very low | 29.2 | Very low | 235 Ų | 235 | 138.1 Ų | 138.1 | 92% | 0.922 | 83% | 0.825 | S | S | * | * | -154.5 | 136.9 | 110.3 | -119.3 | -87.6 | 0 | 0 | 0 | 111.9 | |||||
| 7 | H | 30.2 | Very low | 29 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 75% | 0.745 | 83% | 0.827 | S | S | * | * | trans | -95.8 | 175.9 | -177.1 | -110.5 | -93.3 | 0 | 0 | 0 | 111.4 | ||||
| 8 | S | 31.7 | Very low | 28.9 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | trans | 117.5 | 115.3 | 144.9 | 68 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 9 | A | 30.2 | Very low | 28.8 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 87% | 0.868 | 83% | 0.828 | S | S | * | * | 91.8 | 116.1 | 56.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 10 | G | 26.6 | Very low | 28.7 | Very low | 73 Ų | 73 | 138.8 Ų | 138.8 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | 115.5 | 143.8 | 104.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 11 | I | 30.2 | Very low | 28.6 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 75% | 0.754 | 83% | 0.829 | S | S | * | * | -178.7 | 141 | 66.3 | -71 | 177.3 | 0 | 0 | 0 | 106.2 | |||||
| 12 | F | 28.3 | Very low | 28.4 | Very low | 208 Ų | 208 | 134.2 Ų | 134.2 | 91% | 0.912 | 81% | 0.808 | S | S | * | * | 175 | 147.5 | 101.4 | -93.4 | -82.8 | 0 | 0 | 0 | 105.7 | |||||
| 13 | G | 25 | Very low | 28.4 | Very low | 70 Ų | 70 | 131.8 Ų | 131.8 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | cis | 161.6 | 131 | 7.4 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 14 | S | 27.9 | Very low | 28.2 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -73.4 | 170.8 | 177.8 | -52 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 15 | P | 34.6 | Very low | 28 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | -142 | 160.1 | 105 | 36.1 | -21.5 | 0 | 0 | 0 | 115.3 | |||||
| 16 | S | 26.9 | Very low | 27.8 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -89.5 | 145.4 | 174.7 | 48.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 17 | A | 25.3 | Very low | 28 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | -151.8 | 139.7 | 148.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 18 | S | 27.7 | Very low | 28 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 83% | 0.827 | S | S | * | * | trans | -78.9 | 152.3 | -175.2 | 48.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 19 | E | 26 | Very low | 28.1 | Very low | 196 Ų | 196 | 131.1 Ų | 131.1 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | -171.6 | 133.4 | 129.9 | -105.2 | 168.2 | -166.7 | 0 | 0 | 111.7 | |||||
| 20 | N | 27.1 | Very low | 28 | Very low | 156 Ų | 156 | 132.4 Ų | 132.4 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | trans | -80.9 | 148.8 | 169.6 | -81.3 | -53.8 | 0 | 0 | 0 | 109.7 | ||||
| 21 | L | 27.3 | Very low | 28.2 | Very low | 160 Ų | 160 | 135.3 Ų | 135.3 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | trans | -178.5 | 119.2 | 139.3 | -96.7 | 156.1 | 0 | 0 | 0 | 112.5 | ||||
| 22 | T | 27.3 | Very low | 28.4 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 72% | 0.724 | 83% | 0.833 | S | S | * | * | trans | 45.2 | 121.3 | 139.6 | 46.3 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 23 | A | 26.7 | Very low | 28.6 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 88% | 0.876 | 83% | 0.83 | S | S | * | * | 43.5 | 125.6 | 125.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 24 | G | 26.3 | Very low | 28.8 | Very low | 80 Ų | 80 | 138.5 Ų | 138.5 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | trans | 159.2 | 99 | 158 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 25 | G | 26.6 | Very low | 28.7 | Very low | 77 Ų | 77 | 136.7 Ų | 136.7 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | -67 | 150 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 26 | K | 27.8 | Very low | 28.5 | Very low | 208 Ų | 208 | 140.7 Ų | 140.7 | 90% | 0.904 | 83% | 0.833 | S | S | * | * | trans | -164.5 | 128.5 | 145.4 | -108.9 | 164.9 | -173.9 | 178.6 | 0 | 110.6 | ||||
| 27 | M | 29.4 | Very low | 28.5 | Very low | 192 Ų | 192 | 139.8 Ų | 139.8 | 95% | 0.946 | 83% | 0.827 | S | S | * | * | trans | -63 | 131.7 | 175 | -66.8 | 170.9 | 59.7 | 0 | 0 | 110.7 | ||||
| 28 | I | 30.2 | Very low | 28.8 | Very low | 159 Ų | 159 | 143 Ų | 143 | 82% | 0.815 | 83% | 0.828 | S | S | * | * | trans | -130.9 | 129.7 | 162.1 | -54.7 | 178 | 0 | 0 | 0 | 108 | ||||
| 29 | T | 31.9 | Very low | 29.2 | Very low | 115 Ų | 115 | 146.8 Ų | 146.8 | 71% | 0.706 | 83% | 0.834 | S | S | * | * | trans | -48.2 | 151 | -175.5 | 53 | 0 | 0 | 0 | 0 | 115.8 | T31 | T29-T31 PolarHBondContact O-N 2.87Š| ||
| 30 | P | 28.8 | Very low | 29.5 | Very low | 131 Ų | 131 | 149 Ų | 149 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | trans | -74.3 | 113.6 | 178.6 | 29.5 | -31.3 | 0 | 0 | 0 | 111.5 | ||||
| 31 | T | 31.7 | Very low | 29.7 | Very low | 135 Ų | 135 | 149.4 Ų | 149.4 | 83% | 0.828 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 135.7 | 168.1 | 41.6 | 0 | 0 | 0 | 0 | 111.8 | T29 | T29-T31 PolarHBondContact O-N 2.87Š|
| 32 | K | 34.7 | Very low | 30.1 | Very low | 195 Ų | 195 | 150.9 Ų | 150.9 | 85% | 0.848 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 144.9 | 176.9 | -63.7 | 169.3 | 179.7 | 172.6 | 0 | 112.3 | L34 | K32-L34 PolarHBondContact O-N 3.3Š|
| 33 | P | 31 | Very low | 30.1 | Very low | 130 Ų | 130 | 149.7 Ų | 149.7 | 84% | 0.844 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 124.9 | 173.6 | 28.6 | -30.9 | 0 | 0 | 0 | 110.9 | A35 | P33-A35 PolarHBondContact O-N 2.98Š|
| 34 | L | 28.9 | Very low | 30.3 | Very low | 167 Ų | 167 | 156 Ų | 156 | 87% | 0.874 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 118.7 | 175.9 | -80.3 | 155.3 | 0 | 0 | 0 | 111.4 | K32 | K32-L34 PolarHBondContact O-N 3.3Š|
| 35 | A | 27.6 | Very low | 30.3 | Very low | 83 Ų | 83 | 158.4 Ų | 158.4 | 69% | 0.686 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 124.8 | 162 | 0 | 0 | 0 | 0 | 0 | 108.8 | P33 S37 | P33-A35 PolarHBondContact O-N 2.98Å; A35-S37 PolarHBondContact O-N 3.34Å |
| 36 | F | 28.7 | Very low | 30.6 | Very low | 214 Ų | 214 | 160.2 Ų | 160.2 | 94% | 0.939 | 84% | 0.839 | S | S | * | * | trans | -68 | 94.4 | 168.1 | -90.2 | -95.4 | 0 | 0 | 0 | 109.1 | ||||
| 37 | S | 27.9 | Very low | 31 | Very low | 101 Ų | 101 | 159.1 Ų | 159.1 | 71% | 0.706 | 84% | 0.837 | S | S | * | * | trans | -103.3 | 128.2 | 165.8 | -70.2 | 0 | 0 | 0 | 0 | 109.3 | A35 E39 | A35-S37 PolarHBondContact O-N 3.34Å; S37-E39 VanDerWaalsContact C-N 3.28Å; S37-E39 PolarHBondContact O-N 3.11Å | ||
| 38 | I | 32.2 | Very low | 31.1 | Very low | 172 Ų | 172 | 156 Ų | 156 | 88% | 0.882 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -75.1 | 77.5 | 178.6 | -59.1 | 170.5 | 0 | 0 | 0 | 107.8 | ||
| 39 | E | 34.5 | Very low | 31 | Very low | 187 Ų | 187 | 157.7 Ų | 157.7 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -156.6 | 87.5 | 165.5 | -76.4 | -158.3 | 161.6 | 0 | 0 | 110 | S37 | S37-E39 VanDerWaalsContact C-N 3.28Å; S37-E39 PolarHBondContact O-N 3.11Å | ||
| 40 | R | 33.3 | Very low | 30.8 | Very low | 242 Ų | 242 | 157.9 Ų | 157.9 | 91% | 0.913 | 84% | 0.838 | S | S | * | * | trans | -158.5 | 49.9 | 162.4 | -149.4 | 176.9 | -167.8 | 147.3 | 3.5 | 115.1 | ||||
| 41 | I | 31.8 | Very low | 30.9 | Very low | 166 Ų | 166 | 159.2 Ų | 159.2 | 85% | 0.851 | 84% | 0.837 | S | S | * | * | trans | -135.3 | 66.4 | 159.1 | -48.7 | 178.1 | 0 | 0 | 0 | 108.7 | ||||
| 42 | M | 34 | Very low | 30.8 | Very low | 191 Ų | 191 | 158 Ų | 158 | 94% | 0.941 | 83% | 0.831 | S | S | * | * | trans | -152.7 | 94.7 | 166.3 | -82.4 | -78.1 | 141.3 | 0 | 0 | 106.1 | ||||
| 43 | A | 28.1 | Very low | 30.5 | Very low | 92 Ų | 92 | 156.9 Ų | 156.9 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | trans | 179.5 | 132.3 | 145.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 44 | R | 30.2 | Very low | 30.5 | Very low | 240 Ų | 240 | 156.6 Ų | 156.6 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | trans | 85.4 | 118.1 | 164.5 | -52.1 | -175.2 | -174.3 | -163.3 | -0.6 | 113.6 | ||||
| 45 | T | 27.6 | Very low | 30.5 | Very low | 130 Ų | 130 | 155 Ų | 155 | 80% | 0.798 | 82% | 0.817 | S | S | * | * | cis | -156.8 | -167.6 | 37.7 | 46.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 46 | P | 31.9 | Very low | 30.5 | Very low | 114 Ų | 114 | 158.1 Ų | 158.1 | 74% | 0.74 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | -101 | 169.6 | -97.5 | 31.2 | -10.7 | 0 | 0 | 0 | 113.5 | |||
| 47 | E | 36.5 | Very low | 30.5 | Very low | 185 Ų | 185 | 156.5 Ų | 156.5 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 140.9 | 175.7 | -62.4 | -151.7 | 157.5 | 0 | 0 | 113.7 | ||
| 48 | P | 31.3 | Very low | 30.5 | Very low | 126 Ų | 126 | 159.5 Ų | 159.5 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 126.6 | 158.1 | 30.6 | -20.3 | 0 | 0 | 0 | 111.3 | ||
| 49 | K | 29.1 | Very low | 30.4 | Very low | 196 Ų | 196 | 160.1 Ų | 160.1 | 85% | 0.852 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 144.1 | 178 | -61.9 | 167.4 | 179 | 177.2 | 0 | 113.1 | ||
| 50 | S | 27.6 | Very low | 30 | Very low | 118 Ų | 118 | 157 Ų | 157 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 133.5 | 166.3 | 52.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 51 | I | 30.5 | Very low | 30.4 | Very low | 160 Ų | 160 | 150.9 Ų | 150.9 | 82% | 0.821 | 80% | 0.801 | S | S | * | * | trans | -140.4 | 141.2 | 160 | -59.3 | -177.6 | 0 | 0 | 0 | 107.7 | ||||
| 52 | P | 29.4 | Very low | 30.3 | Very low | 110 Ų | 110 | 150 Ų | 150 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | trans | -95.8 | 157.1 | -157.6 | 36.7 | -33.6 | 0 | 0 | 0 | 116.4 | ||||
| 53 | F | 28.2 | Very low | 29.9 | Very low | 170 Ų | 170 | 144.1 Ų | 144.1 | 75% | 0.746 | 79% | 0.791 | S | S | * | * | trans | 14.4 | 148.3 | 147.9 | -80.9 | -76.4 | 0 | 0 | 0 | 121.5 | ||||
| 54 | P | 31.9 | Very low | 29.9 | Very low | 125 Ų | 125 | 149.4 Ų | 149.4 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | -138.4 | 143.3 | 83.1 | 27.1 | -6.5 | 0 | 0 | 0 | 117 | |||||
| 55 | N | 28.2 | Very low | 30 | Very low | 133 Ų | 133 | 144 Ų | 144 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | -68 | 141.1 | 163.9 | -79.5 | -37.4 | 0 | 0 | 0 | 111.2 | ||||
| 56 | L | 28.2 | Very low | 30.1 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | -139.4 | 111.9 | 155.9 | -85.5 | 163.3 | 0 | 0 | 0 | 110.7 | ||||
| 57 | F | 28.7 | Very low | 29.8 | Very low | 181 Ų | 181 | 144.8 Ų | 144.8 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | 76 | 115.2 | 150.7 | -70.7 | -75.7 | 0 | 0 | 0 | 123.4 | ||||
| 58 | H | 28.4 | Very low | 29.4 | Very low | 164 Ų | 164 | 143.2 Ų | 143.2 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | -47.7 | 150.4 | 152.3 | -76.2 | -88.5 | 0 | 0 | 0 | 113.8 | ||||
| 59 | H | 29.1 | Very low | 30.1 | Very low | 184 Ų | 184 | 142 Ų | 142 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | -173.2 | 131.3 | 110.6 | -87 | -68.6 | 0 | 0 | 0 | 110.3 | |||||
| 60 | T | 26.8 | Very low | 30.1 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -117.1 | 176.3 | 165.6 | 45.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 61 | P | 41.9 | Very low | 30.2 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | cis | -131.7 | -149.6 | -37.9 | 33.1 | -11.6 | 0 | 0 | 0 | 109.8 | ||||
| 62 | V | 28.8 | Very low | 30 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | trans | 113.3 | 127.8 | 169.2 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 63 | G | 26.6 | Very low | 29.9 | Very low | 67 Ų | 67 | 141.8 Ų | 141.8 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | cis | -173.1 | 160.8 | 3.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 64 | R | 26.8 | Very low | 29.9 | Very low | 204 Ų | 204 | 140 Ų | 140 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | -80.3 | 149.1 | 169.3 | -159.6 | -170 | -122.2 | -145.2 | 0.8 | 108.6 | E66 | R64-E66 IonicContact NH1-OE1 3.57Å; R64-E66 PolarHBondContact NH1-OE1 2.82Å | ||
| 65 | P | 32.6 | Very low | 29.6 | Very low | 125 Ų | 125 | 141 Ų | 141 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | -141.7 | 162.1 | 109.8 | 26.2 | -6.1 | 0 | 0 | 0 | 114.5 | |||||
| 66 | E | 29 | Very low | 29.5 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -76.7 | 150.1 | 178.6 | -62.4 | 171.3 | 157 | 0 | 0 | 112.5 | R64 | R64-E66 IonicContact NH1-OE1 3.57Å; R64-E66 PolarHBondContact NH1-OE1 2.82Å | ||
| 67 | A | 26.5 | Very low | 29.4 | Very low | 104 Ų | 104 | 138 Ų | 138 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | 164.9 | 125.9 | 130.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 68 | D | 27.1 | Very low | 29.4 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -77.2 | -180 | 157.8 | -122.9 | -26.3 | 0 | 0 | 0 | 109.3 | ||||
| 69 | P | 46.1 | Very low | 29.4 | Very low | 100 Ų | 100 | 132 Ų | 132 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | cis | -144.5 | -178.2 | -4.9 | 30.1 | -4.6 | 0 | 0 | 0 | 116.5 | ||||
| 70 | K | 29.1 | Very low | 29.3 | Very low | 171 Ų | 171 | 130.7 Ų | 130.7 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | trans | 115.2 | 117.1 | 146.1 | -67 | -174.5 | 179.2 | 178.1 | 0 | 120 | ||||
| 71 | Q | 30.8 | Very low | 29.2 | Very low | 178 Ų | 178 | 131.9 Ų | 131.9 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | 67.5 | 146 | 134.1 | -66.9 | -179.1 | 8 | 0 | 0 | 119.4 | ||||
| 72 | A | 25.5 | Very low | 28.3 | Very low | 78 Ų | 78 | 132.2 Ų | 132.2 | 65% | 0.645 | 76% | 0.758 | S | S | * | * | cis | -175.9 | 175.3 | -10 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 73 | L | 28.1 | Very low | 28.1 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | 90 | 131.2 | 167.1 | -50 | 173.1 | 0 | 0 | 0 | 115.5 | ||||
| 74 | N | 27 | Very low | 28.1 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | cis | -163.1 | 128.9 | -1.4 | -97 | -20.8 | 0 | 0 | 0 | 106.5 | ||||
| 75 | M | 25.7 | Very low | 28.2 | Very low | 148 Ų | 148 | 131.7 Ų | 131.7 | 73% | 0.729 | 75% | 0.751 | S | S | * | * | 64.4 | 111.3 | 90.5 | -70.7 | -111.3 | 70.5 | 0 | 0 | 117.5 | |||||
| 76 | T | 26.5 | Very low | 27.8 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 83% | 0.828 | 76% | 0.757 | S | S | * | * | -151.8 | 96.8 | 122.9 | 48.9 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 77 | S | 27.2 | Very low | 27.7 | Very low | 83 Ų | 83 | 134.2 Ų | 134.2 | 58% | 0.58 | 76% | 0.758 | S | S | * | * | 37.1 | 129.5 | 96.3 | 70.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 78 | S | 27.3 | Very low | 27.7 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | cis | -158.1 | 116.5 | 49.4 | -44.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 79 | S | 28.2 | Very low | 27.6 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | 78.3 | 111.4 | 89.2 | -62.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 80 | L | 26.9 | Very low | 26.5 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | 46.4 | 135.5 | 56.2 | -73.5 | 165.8 | 0 | 0 | 0 | 111.5 | |||||
| 81 | H | 26.6 | Very low | 26.2 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | cis | -170.8 | 154.4 | 3.2 | -142 | -154.5 | 0 | 0 | 0 | 104.5 | ||||
| 82 | C | 21.6 | Very low | 25.8 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | -140.8 | 116.7 | 157.5 | -158.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 83 | M | 25.7 | Very low | 26.2 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | -99.4 | 130.6 | 171.9 | -77.1 | -87.4 | 172.5 | 0 | 0 | 107.4 | ||||
| 84 | I | 26.5 | Very low | 26 | Very low | 145 Ų | 145 | 133 Ų | 133 | 74% | 0.744 | 76% | 0.755 | S | S | * | * | trans | -139 | 136.7 | 159.8 | -60.7 | -175.2 | 0 | 0 | 0 | 108.3 | ||||
| 85 | P | 28.4 | Very low | 26 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | trans | -86.1 | 160.1 | -174.4 | 36 | -35.1 | 0 | 0 | 0 | 112.6 | ||||
| 86 | F | 24.1 | Very low | 25.9 | Very low | 211 Ų | 211 | 137.3 Ų | 137.3 | 93% | 0.925 | 77% | 0.766 | S | S | * | * | trans | -129.1 | 121.1 | 164.9 | -112.1 | -91.2 | 0 | 0 | 0 | 110.5 | ||||
| 87 | V | 26.3 | Very low | 25.9 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 143.8 | 167.4 | 174 | 0 | 0 | 0 | 0 | 107.4 | ||
| 88 | P | 27.4 | Very low | 25.8 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 138.8 | -174.2 | 33 | -32.4 | 0 | 0 | 0 | 112.1 | ||
| 89 | L | 24.5 | Very low | 25.9 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 94% | 0.937 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 128.1 | 163.3 | -83.4 | 167.8 | 0 | 0 | 0 | 109.9 | ||
| 90 | A | 23 | Very low | 25.9 | Very low | 99 Ų | 99 | 146 Ų | 146 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 149.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 91 | Y | 22.6 | Very low | 25.9 | Very low | 197 Ų | 197 | 141.8 Ų | 141.8 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -138 | 147.8 | 165.1 | -170.9 | -97.5 | 0 | 0 | 0 | 110 | ||||
| 92 | E | 23.2 | Very low | 25.9 | Very low | 153 Ų | 153 | 143.4 Ų | 143.4 | 72% | 0.715 | 79% | 0.788 | S | S | * | * | trans | 140.3 | 147.3 | 158.6 | -76.8 | -62 | 148.4 | 0 | 0 | 108.7 | ||||
| 93 | P | 34.2 | Very low | 26.1 | Very low | 107 Ų | 107 | 144 Ų | 144 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | cis | -137.4 | 162.3 | -11.9 | 36.7 | -18.3 | 0 | 0 | 0 | 115.7 | ||||
| 94 | G | 22.7 | Very low | 26 | Very low | 55 Ų | 55 | 141.6 Ų | 141.6 | 57% | 0.567 | 78% | 0.777 | S | S | * | * | trans | 78 | 118.8 | 137.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 95 | H | 26.7 | Very low | 25.9 | Very low | 189 Ų | 189 | 139.2 Ų | 139.2 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | -173.4 | 152.8 | 109.1 | -109.5 | -103.5 | 0 | 0 | 0 | 112.3 | |||||
| 96 | K | 25.1 | Very low | 25.9 | Very low | 183 Ų | 183 | 141.5 Ų | 141.5 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | -59.5 | 144 | -164.5 | -59.4 | 164 | 175.6 | 176.6 | 0 | 115.1 | ||||
| 97 | L | 25.9 | Very low | 26 | Very low | 182 Ų | 182 | 138.8 Ų | 138.8 | 95% | 0.953 | 76% | 0.762 | S | S | * | * | trans | -141.4 | 139.1 | 136.2 | -88.5 | 176.5 | 0 | 0 | 0 | 111.1 | ||||
| 98 | N | 24.3 | Very low | 25.9 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | trans | -94.9 | 134 | -170 | 178.4 | 13.7 | 0 | 0 | 0 | 109.4 | ||||
| 99 | I | 30.5 | Very low | 25.7 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | trans | -150.4 | 129.8 | 153.8 | 8.4 | 175.6 | 0 | 0 | 0 | 110.1 | ||||
| 100 | N | 26.9 | Very low | 25.7 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | -76.2 | 149.2 | -174.3 | -65.5 | -45 | 0 | 0 | 0 | 112.8 | ||||
| 101 | G | 26.7 | Very low | 25.7 | Very low | 67 Ų | 67 | 135.9 Ų | 135.9 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | trans | 74.2 | 111.2 | 137.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 102 | L | 27.1 | Very low | 25.8 | Very low | 182 Ų | 182 | 136.8 Ų | 136.8 | 95% | 0.953 | 75% | 0.749 | S | S | * | * | -179.9 | 167.5 | 113.7 | -98.5 | 151.3 | 0 | 0 | 0 | 110.7 | |||||
| 103 | D | 25.9 | Very low | 25.8 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | -92.5 | 160.4 | -135.2 | -138.4 | -12.4 | 0 | 0 | 0 | 116 | ||||
| 104 | T | 24.3 | Very low | 25.3 | Very low | 102 Ų | 102 | 137 Ų | 137 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | trans | 26.5 | 133.5 | 148.3 | 50.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 105 | S | 23.9 | Very low | 25.5 | Very low | 95 Ų | 95 | 142 Ų | 142 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | trans | 61.6 | 116.1 | 133.4 | 70.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 106 | Q | 27.7 | Very low | 25.5 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | 169.1 | 148.3 | 119.3 | -97.8 | 174.4 | 28.1 | 0 | 0 | 112.6 | |||||
| 107 | F | 26.4 | Very low | 25.6 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | trans | 61.3 | 107.8 | 151.8 | -70.9 | -65.5 | 0 | 0 | 0 | 117.9 | ||||
| 108 | E | 24.9 | Very low | 25.7 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | 102.2 | 154.4 | 77.2 | -104.2 | -176.5 | -164.7 | 0 | 0 | 111.8 | |||||
| 109 | A | 23.9 | Very low | 25.6 | Very low | 89 Ų | 89 | 133.2 Ų | 133.2 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | -66.4 | -179.7 | -171 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 110 | S | 24.2 | Very low | 25.5 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | 104 | 105 | 165.5 | 83.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 111 | S | 22.9 | Very low | 25.3 | Very low | 88 Ų | 88 | 129.1 Ų | 129.1 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | 80.3 | 133.3 | 76.7 | 75.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 112 | Y | 23.5 | Very low | 25.3 | Very low | 215 Ų | 215 | 133.7 Ų | 133.7 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | 74.8 | 117.5 | 172.1 | -57.3 | -82.9 | 0 | 0 | 0 | 114.3 | ||||
| 113 | N | 23.1 | Very low | 25.2 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 81% | 0.807 | 75% | 0.747 | S | S | * | * | cis | 68.1 | 93 | 49.2 | -154.2 | 29.9 | 0 | 0 | 0 | 112.8 | ||||
| 114 | S | 24.7 | Very low | 25.1 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | 176.6 | 138.2 | 127.3 | 47.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 115 | N | 27.5 | Very low | 25.1 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | trans | -55.2 | 136.8 | 161.8 | -63 | -47.6 | 0 | 0 | 0 | 111.7 | ||||
| 116 | E | 26.3 | Very low | 25.1 | Very low | 173 Ų | 173 | 141.2 Ų | 141.2 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | -167.4 | 145.8 | 147.1 | -87.7 | -155 | 150.3 | 0 | 0 | 104.4 | ||||
| 117 | L | 27.4 | Very low | 25.1 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | cis | -177.9 | 164.5 | -3.3 | -116.3 | 169.9 | 0 | 0 | 0 | 103.7 | ||||
| 118 | V | 27 | Very low | 25 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | 73.2 | 117.7 | 155.1 | -172.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 119 | G | 23.6 | Very low | 25.4 | Very low | 71 Ų | 71 | 140.9 Ų | 140.9 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | cis | 91.9 | 67.2 | 32.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 120 | I | 27.9 | Very low | 25.3 | Very low | 159 Ų | 159 | 143 Ų | 143 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | trans | -133.8 | 112.3 | 160.9 | -57.6 | -179.6 | 0 | 0 | 0 | 107.7 | ||||
| 121 | G | 22.6 | Very low | 25.4 | Very low | 68 Ų | 68 | 144.7 Ų | 144.7 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -91.8 | 141.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 122 | L | 26.7 | Very low | 25.5 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -149.8 | 103.5 | 150.7 | -70.7 | -179.3 | 0 | 0 | 0 | 105.1 | ||||
| 123 | N | 24.7 | Very low | 25.9 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | 72.4 | 101.5 | 81.2 | -145.6 | -3 | 0 | 0 | 0 | 113.2 | |||||
| 124 | Y | 23.4 | Very low | 26 | Very low | 192 Ų | 192 | 139.1 Ų | 139.1 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | 30.1 | 130.5 | 149.4 | -78.8 | -98.9 | 0 | 0 | 0 | 120.3 | ||||
| 125 | K | 25.6 | Very low | 26.3 | Very low | 203 Ų | 203 | 140.8 Ų | 140.8 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | -169.3 | 144.6 | 100.8 | -100.1 | 171.2 | -175.9 | -176.4 | 0 | 113 | |||||
| 126 | N | 24.2 | Very low | 26.2 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | -58 | 150.9 | 176.4 | -65.5 | -39.3 | 0 | 0 | 0 | 112.6 | ||||
| 127 | E | 26.1 | Very low | 26.3 | Very low | 193 Ų | 193 | 136.1 Ų | 136.1 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | -171.2 | 122.6 | 121.1 | -100 | 162.2 | -170.4 | 0 | 0 | 110 | |||||
| 128 | Q | 25.7 | Very low | 26.2 | Very low | 174 Ų | 174 | 140.3 Ų | 140.3 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -90.3 | 154.5 | 162.6 | -79.8 | -119.4 | -34.4 | 0 | 0 | 107.7 | ||||
| 129 | P | 32.1 | Very low | 26.1 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | -147.3 | 151.9 | 87.9 | 32.1 | -11.5 | 0 | 0 | 0 | 116.7 | |||||
| 130 | D | 21.9 | Very low | 26.1 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | trans | 40.4 | 116 | 139.4 | -67.5 | -40.4 | 0 | 0 | 0 | 120.9 | ||||
| 131 | V | 26.6 | Very low | 25.8 | Very low | 143 Ų | 143 | 149.8 Ų | 149.8 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | -161.6 | 122.2 | 114.3 | 174.1 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 132 | S | 25.3 | Very low | 25.9 | Very low | 108 Ų | 108 | 157.4 Ų | 157.4 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -89 | 147.8 | 159.3 | -58.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 133 | P | 32.3 | Very low | 25.7 | Very low | 113 Ų | 113 | 155.3 Ų | 155.3 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | -157.8 | 174.4 | 73.5 | 39.2 | -17.3 | 0 | 0 | 0 | 118.6 | |||||
| 134 | S | 25.1 | Very low | 25.7 | Very low | 117 Ų | 117 | 159.8 Ų | 159.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 101.1 | 110.4 | 146.4 | 78.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 135 | V | 29.5 | Very low | 25.7 | Very low | 148 Ų | 148 | 156.7 Ų | 156.7 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -73.1 | 115.4 | 173.6 | 173.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 136 | G | 26.4 | Very low | 25.7 | Very low | 43 Ų | 43 | 153 Ų | 153 | 44% | 0.443 | 80% | 0.797 | S | S | . | * | trans | -115.2 | 122.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y138 | G136-Y138 WeakPolarHBondContact O-CD2 3.4Å; G136-Y138 VanDerWaalsContact O-CE2 3.29Å; G136-Y138 WeakPolarHBondContact O-CE2 3.24Å; G136-Y138 PolarHBondContact O-N 2.73Å | ||
| 137 | Q | 29.2 | Very low | 25.8 | Very low | 194 Ų | 194 | 152.8 Ų | 152.8 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | trans | -64.1 | 115.1 | -179.7 | -70.4 | 173.6 | -14.6 | 0 | 0 | 111.8 | ||||
| 138 | Y | 24.1 | Very low | 26 | Very low | 215 Ų | 215 | 152.4 Ų | 152.4 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -94 | 114.6 | 168.5 | -53 | -75.8 | 0 | 0 | 0 | 110.7 | G136 L140 | G136-Y138 WeakPolarHBondContact O-CD2 3.4Å; G136-Y138 VanDerWaalsContact O-CE2 3.29Å; G136-Y138 WeakPolarHBondContact O-CE2 3.24Å; G136-Y138 PolarHBondContact O-N 2.73Å; Y138-L140 PolarHBondContact O-N 3.1Å | ||
| 139 | K | 26.2 | Very low | 26.2 | Very low | 194 Ų | 194 | 148.8 Ų | 148.8 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -81.5 | 103.9 | 171.2 | -145.3 | 172.5 | -170.2 | 172.8 | 0 | 108.1 | F141 | K139-F141 PolarHBondContact O-N 3.44Š| ||
| 140 | L | 22.1 | Very low | 25.9 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | -63 | 103.9 | 175.1 | -90.4 | 155 | 0 | 0 | 0 | 110.9 | Y138 R142 | Y138-L140 PolarHBondContact O-N 3.1Å; L140-R142 PolarHBondContact O-N 3.06Å | ||
| 141 | F | 23 | Very low | 26.1 | Very low | 189 Ų | 189 | 151.2 Ų | 151.2 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -76 | 112.8 | 161.5 | -101.9 | -95.6 | 0 | 0 | 0 | 108.8 | K139 | K139-F141 PolarHBondContact O-N 3.44Š| ||
| 142 | R | 23.8 | Very low | 26 | Very low | 227 Ų | 227 | 153 Ų | 153 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -61.9 | 132.9 | 169.4 | -75.2 | -174.6 | 178.8 | -177.5 | 0.1 | 109.6 | L140 R144 | L140-R142 PolarHBondContact O-N 3.06Å; R142-R144 PolarHBondContact O-N 2.83Å; R142-R144 VanDerWaalsContact O-N 3.13Å | ||
| 143 | P | 23.2 | Very low | 26 | Very low | 119 Ų | 119 | 152.4 Ų | 152.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -62.1 | 118.5 | 168.1 | -17.2 | 29.3 | 0 | 0 | 0 | 109.3 | V145 | P143-V145 PolarHBondContact O-N 3.41Š| ||
| 144 | R | 23.2 | Very low | 25.7 | Very low | 232 Ų | 232 | 155.9 Ų | 155.9 | 88% | 0.875 | 80% | 0.804 | S | S | * | * | trans | -72.3 | 93.8 | 171.5 | -167.6 | 177.2 | -170.9 | 168.6 | 1.9 | 107.3 | R142 V146 | R142-R144 PolarHBondContact O-N 2.83Å; R142-R144 VanDerWaalsContact O-N 3.13Å; R144-V146 PolarHBondContact O-N 3.32Å | ||
| 145 | V | 24 | Very low | 25.8 | Very low | 127 Ų | 127 | 154.2 Ų | 154.2 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -60.9 | 107.5 | 171.3 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | P143 N147 | P143-V145 PolarHBondContact O-N 3.41Å; V145-N147 PolarHBondContact O-N 3.11Å | ||
| 146 | V | 25.9 | Very low | 25.5 | Very low | 125 Ų | 125 | 151.1 Ų | 151.1 | 76% | 0.758 | 80% | 0.796 | S | S | * | * | trans | -70.2 | 112.6 | 176 | -177 | 0 | 0 | 0 | 0 | 107.3 | R144 Q148 | R144-V146 PolarHBondContact O-N 3.32Å; V146-Q148 PolarHBondContact O-N 2.84Å | ||
| 147 | N | 26 | Very low | 25.5 | Very low | 132 Ų | 132 | 154.8 Ų | 154.8 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | -55.6 | 112.7 | 168.9 | -80.6 | -46.1 | 0 | 0 | 0 | 109 | V145 S149 | V145-N147 PolarHBondContact O-N 3.11Å; N147-S149 PolarHBondContact O-N 3.26Å | ||
| 148 | Q | 30.2 | Very low | 25.3 | Very low | 186 Ų | 186 | 150.9 Ų | 150.9 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -75 | 75.3 | 175.4 | -143.6 | 162.4 | 11.7 | 0 | 0 | 109.8 | V146 | V146-Q148 PolarHBondContact O-N 2.84Š|
| 149 | S | 29 | Very low | 25.3 | Very low | 98 Ų | 98 | 150.5 Ų | 150.5 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | trans | -157.8 | 51.7 | 166.3 | 52.7 | 0 | 0 | 0 | 0 | 110.6 | N147 | N147-S149 PolarHBondContact O-N 3.26Š| ||
| 150 | S | 27.2 | Very low | 25.4 | Very low | 111 Ų | 111 | 148.6 Ų | 148.6 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -159.2 | 68.6 | 169.8 | -62.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 151 | F | 25.5 | Very low | 25.7 | Very low | 187 Ų | 187 | 148.3 Ų | 148.3 | 82% | 0.82 | 80% | 0.798 | S | S | * | * | trans | -101.4 | 96.6 | 156.6 | -94.4 | -87.5 | 0 | 0 | 0 | 107.4 | ||||
| 152 | H | 24.8 | Very low | 25.8 | Very low | 180 Ų | 180 | 145.4 Ų | 145.4 | 83% | 0.833 | 80% | 0.8 | S | S | * | * | trans | -123.8 | 127.5 | 143.1 | -97.3 | 58.8 | 0 | 0 | 0 | 105.2 | ||||
| 153 | A | 25.6 | Very low | 26 | Very low | 96 Ų | 96 | 138 Ų | 138 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | trans | -51.3 | 134.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 154 | M | 26.1 | Very low | 26.4 | Very low | 186 Ų | 186 | 141.5 Ų | 141.5 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | -116.2 | 108.3 | 137.8 | -73.8 | -170.5 | 174.6 | 0 | 0 | 105.6 | A156 | M154-A156 PolarHBondContact O-N 3.16Š| ||
| 155 | G | 25.7 | Very low | 26.6 | Very low | 81 Ų | 81 | 136.7 Ų | 136.7 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -63 | 111.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 156 | A | 23.7 | Very low | 26.8 | Very low | 84 Ų | 84 | 135.5 Ų | 135.5 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | trans | -100.9 | 107.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | M154 C158 | M154-A156 PolarHBondContact O-N 3.16Å; A156-C158 PolarHBondContact O-N 3.28Å; A156-C158 VanDerWaalsContact O-N 3.17Å | ||
| 157 | V | 26.8 | Very low | 26.8 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | trans | -66.7 | 106.1 | 159.6 | 179.3 | 0 | 0 | 0 | 0 | 105.1 | Y159 | V157-Y159 HydrophobicContact CG1-CD2 3.51Å; V157-Y159 HydrophobicContact CG1-CE2 3.56Å; V157-Y159 HydrophobicContact CG1-CG 4.49Å; V157-Y159 PolarHBondContact O-N 3.06Å; V157-Y159 VanDerWaalsContact O-N 3.12Å | ||
| 158 | C | 24.1 | Very low | 27.1 | Very low | 113 Ų | 113 | 135 Ų | 135 | 76% | 0.764 | 81% | 0.814 | S | S | * | * | trans | -74.5 | 94.5 | 166.2 | -70.1 | 0 | 0 | 0 | 0 | 107.5 | A156 L160 | A156-C158 PolarHBondContact O-N 3.28Å; A156-C158 VanDerWaalsContact O-N 3.17Å; C158-L160 PolarHBondContact O-N 3.05Å | ||
| 159 | Y | 24.7 | Very low | 27.4 | Very low | 207 Ų | 207 | 131.8 Ų | 131.8 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -76.6 | 104 | 151.9 | -85.5 | -84.2 | 0 | 0 | 0 | 106.6 | V157 | V157-Y159 HydrophobicContact CG1-CD2 3.51Å; V157-Y159 HydrophobicContact CG1-CE2 3.56Å; V157-Y159 HydrophobicContact CG1-CG 4.49Å; V157-Y159 PolarHBondContact O-N 3.06Å; V157-Y159 VanDerWaalsContact O-N 3.12Å | ||
| 160 | L | 28.3 | Very low | 28.2 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | trans | -85 | 121.6 | 158.3 | -76.6 | 169.7 | 0 | 0 | 0 | 107 | C158 C162 | C158-L160 PolarHBondContact O-N 3.05Å; L160-C162 PolarHBondContact O-N 3.42Å | ||
| 161 | N | 27.9 | Very low | 28.1 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | -58.7 | 110.8 | 165.6 | -78.9 | -22.4 | 0 | 0 | 0 | 108.5 | ||||
| 162 | C | 26.8 | Very low | 28.2 | Very low | 128 Ų | 128 | 127.8 Ų | 127.8 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | trans | -84.3 | 115.2 | 158.2 | -74.4 | 0 | 0 | 0 | 0 | 107.6 | L160 | L160-C162 PolarHBondContact O-N 3.42Š| ||
| 163 | G | 26.9 | Very low | 28.1 | Very low | 72 Ų | 72 | 126.1 Ų | 126.1 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | -72.9 | 152.2 | 164 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 164 | E | 32.1 | Very low | 28 | Very low | 192 Ų | 192 | 128.4 Ų | 128.4 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | -49.7 | 131.6 | -172 | -63.5 | 158.2 | 168.4 | 0 | 0 | 115.6 | ||||
| 165 | S | 28.2 | Very low | 27.9 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | 169.9 | 154.7 | 128.5 | 43.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 166 | A | 26.4 | Very low | 27.8 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -79.2 | 160.2 | -155.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 167 | C | 26.2 | Very low | 27.7 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -67.4 | 169 | 174.7 | -52.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 168 | P | 33.1 | Very low | 28.3 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | -145.8 | 178.6 | 80.4 | 28.6 | -4.1 | 0 | 0 | 0 | 116.7 | |||||
| 169 | P | 37.1 | Very low | 28.2 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | -113.3 | -152.3 | -159.3 | 44.8 | -33 | 0 | 0 | 0 | 113.6 | ||||
| 170 | P | 45.6 | Very low | 28.2 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | cis | -126.4 | 176.9 | -39.8 | 29.5 | -9.3 | 0 | 0 | 0 | 113.2 | ||||
| 171 | A | 24.9 | Very low | 28 | Very low | 92 Ų | 92 | 125.2 Ų | 125.2 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | trans | -177.4 | 121.5 | 138.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 172 | S | 26.4 | Very low | 27.9 | Very low | 101 Ų | 101 | 127 Ų | 127 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | 52.7 | 108.8 | 142.7 | 59.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 173 | I | 23.9 | Very low | 27.7 | Very low | 146 Ų | 146 | 129.6 Ų | 129.6 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | 88.1 | 119.7 | 81 | -70.8 | 156.1 | 0 | 0 | 0 | 112.8 | |||||
| 174 | V | 24.2 | Very low | 27.7 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | -154.9 | 132.9 | 120.3 | 158.4 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 175 | N | 23.7 | Very low | 27.4 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | -68.2 | 149.7 | -176.2 | -67.9 | -63.2 | 0 | 0 | 0 | 115.1 | ||||
| 176 | I | 22.5 | Very low | 27.3 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | -148.3 | 117.1 | 126.7 | -52.4 | -176.8 | 0 | 0 | 0 | 110.1 | |||||
| 177 | H | 21.5 | Very low | 27.6 | Very low | 171 Ų | 171 | 132.1 Ų | 132.1 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | trans | -161.5 | 168.6 | 149.1 | -126.1 | -88.2 | 0 | 0 | 0 | 105.6 | ||||
| 178 | P | 39 | Very low | 27.6 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 60% | 0.597 | 76% | 0.757 | S | S | * | * | cis | -143 | 168.3 | 10.6 | 31.2 | -5.1 | 0 | 0 | 0 | 115.8 | ||||
| 179 | M | 23.8 | Very low | 27.2 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | 159.2 | 150 | 96 | -92.5 | -61.7 | 160 | 0 | 0 | 106.3 | |||||
| 180 | A | 23.5 | Very low | 26.7 | Very low | 75 Ų | 75 | 138.6 Ų | 138.6 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | cis | -154.1 | 130.4 | 15.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 181 | S | 25.5 | Very low | 25.8 | Very low | 82 Ų | 82 | 136.8 Ų | 136.8 | 57% | 0.573 | 75% | 0.754 | S | S | * | * | 56.6 | 115.4 | 66.3 | 71.5 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 182 | Y | 24.7 | Very low | 25.9 | Very low | 199 Ų | 199 | 143.7 Ų | 143.7 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | trans | 175.6 | 120.8 | 145.6 | -81 | -53 | 0 | 0 | 0 | 106.4 | ||||
| 183 | F | 23.1 | Very low | 26 | Very low | 183 Ų | 183 | 147.7 Ų | 147.7 | 80% | 0.803 | 77% | 0.768 | S | S | * | * | cis | -150.9 | 144.2 | 5.7 | -97.1 | -86.1 | 0 | 0 | 0 | 107.8 | ||||
| 184 | L | 25.6 | Very low | 26.5 | Very low | 154 Ų | 154 | 152.4 Ų | 152.4 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | -110.3 | 160.5 | 153.8 | -84.6 | 169.9 | 0 | 0 | 0 | 108.3 | ||||
| 185 | N | 26 | Very low | 27.1 | Very low | 152 Ų | 152 | 150.1 Ų | 150.1 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | 126.7 | 119.6 | 158.1 | -62.1 | -21.5 | 0 | 0 | 0 | 110.1 | ||||
| 186 | T | 26.2 | Very low | 27.3 | Very low | 133 Ų | 133 | 153.2 Ų | 153.2 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | -164.8 | 163.3 | 51.7 | 30.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 187 | P | 32.5 | Very low | 27.7 | Very low | 110 Ų | 110 | 153 Ų | 153 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | trans | -104.4 | 163.4 | 173.9 | 38.7 | -29.5 | 0 | 0 | 0 | 114.3 | ||||
| 188 | L | 26 | Very low | 27.9 | Very low | 160 Ų | 160 | 150 Ų | 150 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | 79.9 | 112.2 | 172.8 | -75.5 | 103.6 | 0 | 0 | 0 | 118.6 | ||||
| 189 | Q | 25.8 | Very low | 27.5 | Very low | 174 Ų | 174 | 154.7 Ų | 154.7 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | 176.7 | 136.6 | 99.7 | -91.7 | -169.6 | -2.3 | 0 | 0 | 112.4 | |||||
| 190 | H | 26.9 | Very low | 27.7 | Very low | 169 Ų | 169 | 155.9 Ų | 155.9 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | trans | 58.1 | 107.2 | 151.4 | -87.4 | -107.6 | 0 | 0 | 0 | 122.3 | ||||
| 191 | A | 26.6 | Very low | 28 | Very low | 79 Ų | 79 | 160.6 Ų | 160.6 | 65% | 0.653 | 81% | 0.814 | S | S | * | * | 57.1 | 130 | 117.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 192 | R | 27.4 | Very low | 28.1 | Very low | 238 Ų | 238 | 165.3 Ų | 165.3 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | trans | 91.5 | 122.8 | 173.9 | -57.3 | 172.8 | 174.1 | 166.8 | -1.9 | 111.3 | ||||
| 193 | Q | 28.5 | Very low | 28.3 | Very low | 185 Ų | 185 | 162 Ų | 162 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | cis | -144.5 | 145.7 | 32.2 | -103.2 | 131.1 | -33.9 | 0 | 0 | 111.6 | ||||
| 194 | R | 34 | Very low | 28.5 | Very low | 245 Ų | 245 | 158.6 Ų | 158.6 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | -63.8 | 151.3 | 158.9 | -74.1 | 176.4 | 178.1 | 160 | -0.9 | 109.5 | ||||
| 195 | A | 36.9 | Very low | 28.8 | Very low | 94 Ų | 94 | 158.5 Ų | 158.5 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | trans | 81.5 | 84.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 196 | F | 27.4 | Very low | 28.9 | Very low | 199 Ų | 199 | 157.6 Ų | 157.6 | 87% | 0.873 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -167.6 | 134.3 | 131.4 | -124.6 | -100.4 | 0 | 0 | 0 | 109.6 | ||
| 197 | L | 30.2 | Very low | 29.3 | Very low | 164 Ų | 164 | 155.4 Ų | 155.4 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | trans | 69.5 | 89 | 171 | -69.6 | 133.3 | 0 | 0 | 0 | 119.3 | ||||
| 198 | A | 26.3 | Very low | 29.1 | Very low | 110 Ų | 110 | 156.9 Ų | 156.9 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -135.8 | 70.2 | 152.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 199 | E | 30.1 | Very low | 29.4 | Very low | 189 Ų | 189 | 160.2 Ų | 160.2 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -139.3 | 77.1 | 166.9 | -158.2 | 169.5 | -163.3 | 0 | 0 | 110.2 | ||||
| 200 | K | 29.5 | Very low | 29.6 | Very low | 179 Ų | 179 | 160.6 Ų | 160.6 | 78% | 0.778 | 81% | 0.807 | S | S | * | * | trans | -145.7 | 77.6 | 165.2 | -86.4 | -172.3 | 179.5 | 167.1 | 0 | 109.6 | ||||
| 201 | N | 28.2 | Very low | 29.8 | Very low | 175 Ų | 175 | 157.8 Ų | 157.8 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | trans | -108.7 | 108.6 | 148.8 | -92.7 | -33.6 | 0 | 0 | 0 | 108.5 | V203 | N201-V203 PolarHBondContact O-N 3.06Š| ||
| 202 | K | 28.6 | Very low | 30.1 | Very low | 181 Ų | 181 | 160 Ų | 160 | 79% | 0.787 | 82% | 0.815 | S | S | * | * | trans | -72.9 | 119.9 | -158.2 | -67.6 | 167 | 179.5 | 171.8 | 0 | 111 | S204 | K202-S204 PolarHBondContact O-N 3.25Š| ||
| 203 | V | 29.6 | Very low | 30.6 | Very low | 128 Ų | 128 | 152.2 Ų | 152.2 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -49.6 | 117.7 | 150.9 | 175.1 | 0 | 0 | 0 | 0 | 108 | N201 H205 | N201-V203 PolarHBondContact O-N 3.06Å; V203-H205 PolarHBondContact O-N 3.43Å; V203-H205 VanDerWaalsContact O-N 3.11Å | ||
| 204 | S | 27.2 | Very low | 30.8 | Very low | 112 Ų | 112 | 149.3 Ų | 149.3 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -62.7 | 113.4 | 174.6 | 57.9 | 0 | 0 | 0 | 0 | 109.5 | K202 C206 | K202-S204 PolarHBondContact O-N 3.25Å; S204-C206 PolarHBondContact O-N 3.14Å | ||
| 205 | H | 30 | Very low | 30.8 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | trans | -50.9 | 124.1 | -179.6 | -101 | -90.7 | 0 | 0 | 0 | 112.6 | V203 T207 | V203-H205 PolarHBondContact O-N 3.43Å; V203-H205 VanDerWaalsContact O-N 3.11Å; H205-T207 PolarHBondContact ND1-OG1 3.38Å; H205-T207 PolarHBondContact O-N 2.87Å | ||
| 206 | C | 29.3 | Very low | 30.3 | Very low | 133 Ų | 133 | 142.8 Ų | 142.8 | 90% | 0.899 | 78% | 0.78 | S | S | * | * | trans | -90.4 | 65.6 | 157.7 | -156.2 | 0 | 0 | 0 | 0 | 108.2 | S204 | S204-C206 PolarHBondContact O-N 3.14Š| ||
| 207 | T | 34.3 | Very low | 30.9 | Very low | 87 Ų | 87 | 142 Ų | 142 | 53% | 0.534 | 78% | 0.777 | S | S | . | * | trans | -141.2 | 67.6 | 172.5 | 56.1 | 0 | 0 | 0 | 0 | 108.6 | H205 | H205-T207 PolarHBondContact ND1-OG1 3.38Å; H205-T207 PolarHBondContact O-N 2.87Å | ||
| 208 | D | 29 | Very low | 31.3 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -122.7 | 113.7 | 162.8 | -86.6 | -32.4 | 0 | 0 | 0 | 109.6 | ||
| 209 | R | 31.7 | Very low | 32.1 | Very low | 231 Ų | 231 | 138.5 Ų | 138.5 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 76.7 | 63.6 | 173.2 | -65.7 | -176 | -104 | -162.5 | -11.1 | 117.6 | ||
| 210 | Y | 29.9 | Very low | 32.7 | Very low | 181 Ų | 181 | 131.9 Ų | 131.9 | 71% | 0.71 | 72% | 0.718 | S | S | * | * | trans | -111 | 121.1 | 143 | -71.6 | -85.7 | 0 | 0 | 0 | 107.2 | S212 | Y210-S212 PolarHBondContact O-N 3.11Š| ||
| 211 | P | 31.2 | Very low | 33.5 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 71% | 0.714 | 72% | 0.72 | S | S | * | * | trans | -54.1 | 119.8 | 166 | -18.9 | 30.5 | 0 | 0 | 0 | 107.3 | G213 | P211-G213 PolarHBondContact O-N 3.19Š| ||
| 212 | S | 33.4 | Very low | 34.1 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 88% | 0.881 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -45.6 | 121 | 171.5 | 47.8 | 0 | 0 | 0 | 0 | 109.5 | Y210 | Y210-S212 PolarHBondContact O-N 3.11Š|
| 213 | G | 37.1 | Very low | 34.8 | Very low | 74 Ų | 74 | 124.9 Ų | 124.9 | 76% | 0.763 | 69% | 0.692 | S | S | * | * | trans | 147.2 | 5.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | P211 | P211-G213 PolarHBondContact O-N 3.19Š| ||
| 214 | V | 33 | Very low | 35.4 | Very low | 125 Ų | 125 | 122.8 Ų | 122.8 | 76% | 0.758 | 68% | 0.676 | S | S | * | * | trans | -138 | 105.4 | 167 | -162.6 | 0 | 0 | 0 | 0 | 110.3 | F216 | V214-F216 PolarHBondContact O-N 3.14Š| ||
| 215 | A | 33 | Very low | 36.2 | Very low | 87 Ų | 87 | 123.8 Ų | 123.8 | 72% | 0.719 | 67% | 0.668 | S | S | * | * | trans | -64.4 | 122.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | K217 | A215-K217 PolarHBondContact O-N 3.49Š| ||
| 216 | F | 28.1 | Very low | 36.9 | Very low | 114 Ų | 114 | 121.6 Ų | 121.6 | 50% | 0.5 | 66% | 0.658 | S | S | . | * | trans | -66.5 | 92.3 | 154.6 | -73.9 | -83.6 | 0 | 0 | 0 | 106.9 | V214 D218 I306 | V214-F216 PolarHBondContact O-N 3.14Å; F216-D218 PolarHBondContact O-N 3.01Å; F216-I306 HydrophobicContact CZ-CG1 4.5Å | ||
| 217 | K | 39.7 | Very low | 37.5 | Very low | 182 Ų | 182 | 117.5 Ų | 117.5 | 79% | 0.791 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 132.2 | 155 | -83.6 | -178.3 | 174.1 | -180 | 0 | 106.4 | A215 | A215-K217 PolarHBondContact O-N 3.49Š|
| 218 | D | 39 | Very low | 37.8 | Very low | 147 Ų | 147 | 118.7 Ų | 118.7 | 79% | 0.786 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99.6 | 15.9 | 166.3 | -43.9 | -26.2 | 0 | 0 | 0 | 119.2 | F216 | F216-D218 PolarHBondContact O-N 3.01Š|
| 219 | I | 42.6 | Very low | 38.6 | Very low | 54 Ų | 54 | 119.3 Ų | 119.3 | 28% | 0.277 | 62% | 0.621 | S | S | . | * | trans | -130.7 | 99.7 | 149.2 | -54.8 | 172.8 | 0 | 0 | 0 | 107.4 | Q221 Q223 K305 | I219-Q221 PolarHBondContact O-N 2.83Å; I219-Q223 HydrophobicContact CG2-CB 3.99Å; I219-K305 HydrophobicContact CD1-CD 3.9Å | ||
| 220 | S | 43.2 | Very low | 39 | Very low | 51 Ų | 51 | 112.5 Ų | 112.5 | 36% | 0.357 | 60% | 0.599 | S | S | . | * | trans | -57.7 | 142.2 | 175.5 | 63.8 | 0 | 0 | 0 | 0 | 109.2 | T222 Q223 L224 | S220-T222 VanDerWaalsContact CB-OG1 3.24Å; S220-T222 WeakPolarHBondContact CB-OG1 3.48Å; S220-T222 PolarHBondContact O-N 3.31Å; S220-T222 PolarHBondContact OG-OG1 2.7Å; S220-Q223 WeakPolarHBondContact O-CA 3.29Å; S220-Q223 WeakPolarHBondContact O-CB 3.49Å; S220-Q223 PolarHBondContact O-N 3.18Å; S220-Q223 WeakPolarHBondContact OG-CG 3.47Å; S220-Q223 PolarHBondContact OG-N 2.96Å; S220-L224 PolarHBondContact O-N 2.83Å | ||
| 221 | Q | 45.2 | Very low | 39.5 | Very low | 174 Ų | 174 | 105.1 Ų | 105.1 | 81% | 0.813 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -52.6 | -26.6 | 175 | -164.4 | 168.6 | 1.1 | 0 | 0 | 111.6 | I219 H225 | I219-Q221 PolarHBondContact O-N 2.83Å; Q221-H225 WeakPolarHBondContact O-CB 3.47Å; Q221-H225 PolarHBondContact O-N 2.8Å |
| 222 | T | 42 | Very low | 40.1 | Very low | 103 Ų | 103 | 102.6 Ų | 102.6 | 63% | 0.632 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.1 | -38.7 | 171.3 | 50.9 | 0 | 0 | 0 | 0 | 114 | S220 H225 H226 | S220-T222 VanDerWaalsContact CB-OG1 3.24Å; S220-T222 WeakPolarHBondContact CB-OG1 3.48Å; S220-T222 PolarHBondContact O-N 3.31Å; S220-T222 PolarHBondContact OG-OG1 2.7Å; T222-H225 PolarHBondContact O-N 3.39Å; T222-H226 VanDerWaalsContact O-CB 3.26Å; T222-H226 WeakPolarHBondContact O-CB 3.44Å; T222-H226 PolarHBondContact O-N 2.9Å |
| 223 | Q | 41.6 | Very low | 40.4 | Very low | 110 Ų | 110 | 101.5 Ų | 101.5 | 51% | 0.514 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.2 | -36.4 | 173.9 | -79.6 | 174.2 | -14 | 0 | 0 | 112.2 | I219 S220 H225 Y227 | I219-Q223 HydrophobicContact CG2-CB 3.99Å; S220-Q223 WeakPolarHBondContact O-CA 3.29Å; S220-Q223 WeakPolarHBondContact O-CB 3.49Å; S220-Q223 PolarHBondContact O-N 3.18Å; S220-Q223 WeakPolarHBondContact OG-CG 3.47Å; S220-Q223 PolarHBondContact OG-N 2.96Å; Q223-H225 VanDerWaalsContact C-N 3.33Å; Q223-Y227 WeakPolarHBondContact O-CB 3.18Å; Q223-Y227 PolarHBondContact O-N 3.26Å |
| 224 | L | 43.8 | Very low | 40.6 | Very low | 84 Ų | 84 | 101.8 Ų | 101.8 | 44% | 0.44 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 174.2 | -163.9 | 77.1 | 0 | 0 | 0 | 110.9 | S220 Y227 M228 | S220-L224 PolarHBondContact O-N 2.83Å; L224-Y227 PolarHBondContact O-N 3.38Å; L224-M228 VanDerWaalsContact O-CG 3.31Å; L224-M228 WeakPolarHBondContact O-CG 3.43Å; L224-M228 PolarHBondContact O-N 3.5Å |
| 225 | H | 44 | Very low | 41.1 | Very low | 133 Ų | 133 | 98.9 Ų | 98.9 | 62% | 0.616 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.4 | -43.9 | 177 | -164.8 | -173.7 | 0 | 0 | 0 | 112.2 | Q221 T222 Q223 Y227 M228 K229 | Q221-H225 WeakPolarHBondContact O-CB 3.47Å; Q221-H225 PolarHBondContact O-N 2.8Å; T222-H225 PolarHBondContact O-N 3.39Å; Q223-H225 VanDerWaalsContact C-N 3.33Å; H225-Y227 VanDerWaalsContact C-N 3.27Å; H225-Y227 PolarHBondContact O-N 2.8Å; H225-M228 PolarHBondContact O-N 3.34Å; H225-K229 WeakPolarHBondContact O-CB 3.48Å; H225-K229 PolarHBondContact O-N 3.09Å |
| 226 | H | 43.4 | Very low | 41.7 | Very low | 108 Ų | 108 | 96.9 Ų | 96.9 | 50% | 0.5 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -55.6 | -44.5 | 173 | -174.4 | -90.4 | 0 | 0 | 0 | 111.1 | T222 K229 E230 | T222-H226 VanDerWaalsContact O-CB 3.26Å; T222-H226 WeakPolarHBondContact O-CB 3.44Å; T222-H226 PolarHBondContact O-N 2.9Å; H226-K229 CarbonylContact O-C 3.58Å; H226-K229 WeakPolarHBondContact O-CB 3.41Å; H226-K229 PolarHBondContact O-N 3.46Å; H226-E230 IonicContact CE1-OE1 2.9Å; H226-E230 PolarHBondContact CE1-OE1 2.94Å; H226-E230 IonicContact CE1-OE2 3.23Å; H226-E230 PolarHBondContact CE1-OE2 3.22Å; H226-E230 IonicContact ND1-OE1 3.7Å; H226-E230 IonicContact ND1-OE2 2.7Å; H226-E230 PolarHBondContact ND1-OE2 3.24Å; H226-E230 WeakPolarHBondContact O-CB 3.49Å; H226-E230 WeakPolarHBondContact O-CG 3.4Å; H226-E230 PolarHBondContact O-N 2.83Å |
| 227 | Y | 42.9 | Very low | 42.3 | Very low | 47 Ų | 47 | 96.7 Ų | 96.7 | 18% | 0.184 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -69.4 | -35.6 | 179.7 | -175.1 | -114.7 | 0 | 0 | 0 | 114 | Q223 L224 H225 K229 S231 F286 A298 L301 | Q223-Y227 WeakPolarHBondContact O-CB 3.18Å; Q223-Y227 PolarHBondContact O-N 3.26Å; L224-Y227 PolarHBondContact O-N 3.38Å; H225-Y227 VanDerWaalsContact C-N 3.27Å; H225-Y227 PolarHBondContact O-N 2.8Å; Y227-K229 VanDerWaalsContact C-N 3.35Å; Y227-S231 VanDerWaalsContact O-CB 3.28Å; Y227-S231 WeakPolarHBondContact O-CB 3.43Å; Y227-S231 PolarHBondContact O-N 3.22Å; Y227-S231 PolarHBondContact O-OG 3.36Å; Y227-F286 HydrophobicContact CD1-CD1 4.47Å; Y227-F286 HydrophobicContact CD1-CE1 4.12Å; Y227-F286 HydrophobicContact CD2-CD1 4.27Å; Y227-F286 HydrophobicContact CD2-CE1 4.26Å; Y227-F286 AromaticContact CE1-CD1 3.57Å; Y227-F286 HydrophobicContact CE1-CD1 3.57Å; Y227-F286 AromaticContact CE1-CE1 3.56Å; Y227-F286 HydrophobicContact CE1-CE1 3.56Å; Y227-F286 HydrophobicContact CE1-CG 4.25Å; Y227-F286 HydrophobicContact CE1-CZ 4.39Å; Y227-F286 AromaticContact CE2-CD1 3.28Å; Y227-F286 HydrophobicContact CE2-CD1 3.28Å; Y227-F286 AromaticContact CE2-CE1 3.68Å; Y227-F286 HydrophobicContact CE2-CE1 3.68Å; Y227-F286 HydrophobicContact CE2-CG 4.33Å; Y227-F286 HydrophobicContact CG-CE1 4.48Å; Y227-F286 AromaticContact CZ-CD1 2.89Å; Y227-F286 AromaticContact CZ-CE1 3.34Å; Y227-F286 AromaticContact CZ-CG 3.64Å; Y227-F286 WeakPolarHBondContact OH-CA 3.42Å; Y227-F286 WeakPolarHBondContact OH-CB 3.38Å; Y227-F286 WeakPolarHBondContact OH-CD1 3.45Å; Y227-F286 WeakPolarHBondContact OH-CG 3.3Å; Y227-A298 HydrophobicContact CD1-CB 3.72Å; Y227-A298 HydrophobicContact CE1-CB 3.21Å; Y227-L301 WeakPolarHBondContact OH-CD2 3.09Å |
| 228 | M | 40.6 | Very low | 42.7 | Very low | 112 Ų | 112 | 96.2 Ų | 96.2 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.3 | -38.7 | 170.8 | -68.5 | -140.2 | -73.9 | 0 | 0 | 111.1 | L224 H225 S231 A232 | L224-M228 VanDerWaalsContact O-CG 3.31Å; L224-M228 WeakPolarHBondContact O-CG 3.43Å; L224-M228 PolarHBondContact O-N 3.5Å; H225-M228 PolarHBondContact O-N 3.34Å; M228-S231 WeakPolarHBondContact CA-OG 3.32Å; M228-S231 PolarHBondContact O-N 2.95Å; M228-S231 PolarHBondContact O-OG 3.22Å; M228-A232 PolarHBondContact O-N 3.42Å; M228-A232 VanDerWaalsContact O-N 3.1Å |
| 229 | K | 45.7 | Very low | 42.9 | Very low | 152 Ų | 152 | 92.9 Ų | 92.9 | 66% | 0.661 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.9 | -45.7 | 175.4 | -167.5 | 177.6 | -179.9 | -178.4 | 0 | 112.5 | H225 H226 Y227 S231 A232 Q233 | H225-K229 WeakPolarHBondContact O-CB 3.48Å; H225-K229 PolarHBondContact O-N 3.09Å; H226-K229 CarbonylContact O-C 3.58Å; H226-K229 WeakPolarHBondContact O-CB 3.41Å; H226-K229 PolarHBondContact O-N 3.46Å; Y227-K229 VanDerWaalsContact C-N 3.35Å; K229-S231 VanDerWaalsContact C-N 3.32Å; K229-S231 PolarHBondContact O-N 3.2Å; K229-A232 WeakPolarHBondContact O-CB 3.32Å; K229-A232 PolarHBondContact O-N 3.46Å; K229-Q233 PolarHBondContact O-N 3.15Å |
| 230 | E | 39.4 | Very low | 43 | Very low | 88 Ų | 88 | 96.6 Ų | 96.6 | 41% | 0.411 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 174.3 | -76.2 | -178.9 | 131 | 0 | 0 | 112 | H226 A232 Q233 I234 | H226-E230 IonicContact CE1-OE1 2.9Å; H226-E230 PolarHBondContact CE1-OE1 2.94Å; H226-E230 IonicContact CE1-OE2 3.23Å; H226-E230 PolarHBondContact CE1-OE2 3.22Å; H226-E230 IonicContact ND1-OE1 3.7Å; H226-E230 IonicContact ND1-OE2 2.7Å; H226-E230 PolarHBondContact ND1-OE2 3.24Å; H226-E230 WeakPolarHBondContact O-CB 3.49Å; H226-E230 WeakPolarHBondContact O-CG 3.4Å; H226-E230 PolarHBondContact O-N 2.83Å; E230-A232 VanDerWaalsContact C-N 3.34Å; E230-A232 PolarHBondContact O-N 3.16Å; E230-Q233 PolarHBondContact O-N 3.23Å; E230-I234 WeakPolarHBondContact O-CB 3.29Å; E230-I234 VanDerWaalsContact O-CG1 3.26Å; E230-I234 WeakPolarHBondContact O-CG1 3.34Å; E230-I234 PolarHBondContact O-N 3.29Å |
| 231 | S | 40.5 | Very low | 42.8 | Very low | 26 Ų | 26 | 104.4 Ų | 104.4 | 18% | 0.182 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -66.1 | -37.3 | 176 | 71.8 | 0 | 0 | 0 | 0 | 112.3 | Y227 M228 K229 Q233 I235 | Y227-S231 VanDerWaalsContact O-CB 3.28Å; Y227-S231 WeakPolarHBondContact O-CB 3.43Å; Y227-S231 PolarHBondContact O-N 3.22Å; Y227-S231 PolarHBondContact O-OG 3.36Å; M228-S231 WeakPolarHBondContact CA-OG 3.32Å; M228-S231 PolarHBondContact O-N 2.95Å; M228-S231 PolarHBondContact O-OG 3.22Å; K229-S231 VanDerWaalsContact C-N 3.32Å; K229-S231 PolarHBondContact O-N 3.2Å; S231-Q233 VanDerWaalsContact C-N 3.34Å; S231-I235 VanDerWaalsContact O-CB 3.28Å; S231-I235 WeakPolarHBondContact O-CB 3.36Å; S231-I235 WeakPolarHBondContact O-CD1 3.46Å; S231-I235 WeakPolarHBondContact O-CG1 3.37Å; S231-I235 PolarHBondContact O-N 3.38Å; S231-I235 VanDerWaalsContact O-N 3.12Å |
| 232 | A | 44.5 | Very low | 42.5 | Very low | 58 Ų | 58 | 99.2 Ų | 99.2 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.3 | -35.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M228 K229 E230 I235 S236 | M228-A232 PolarHBondContact O-N 3.42Å; M228-A232 VanDerWaalsContact O-N 3.1Å; K229-A232 WeakPolarHBondContact O-CB 3.32Å; K229-A232 PolarHBondContact O-N 3.46Å; E230-A232 VanDerWaalsContact C-N 3.34Å; E230-A232 PolarHBondContact O-N 3.16Å; A232-I235 WeakPolarHBondContact O-CB 3.45Å; A232-I235 PolarHBondContact O-N 3.46Å; A232-S236 PolarHBondContact O-N 2.98Å; A232-S236 VanDerWaalsContact O-N 3.09Å |
| 233 | Q | 40 | Very low | 42.2 | Very low | 103 Ų | 103 | 98 Ų | 98 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73.7 | -40.4 | 177.6 | -161.5 | 65.9 | 43.1 | 0 | 0 | 113 | K229 E230 S231 I235 S236 D237 | K229-Q233 PolarHBondContact O-N 3.15Å; E230-Q233 PolarHBondContact O-N 3.23Å; S231-Q233 VanDerWaalsContact C-N 3.34Å; Q233-I235 PolarHBondContact O-N 2.99Å; Q233-S236 WeakPolarHBondContact CA-OG 3.35Å; Q233-S236 PolarHBondContact NE2-OG 3.28Å; Q233-S236 PolarHBondContact O-N 3.32Å; Q233-S236 PolarHBondContact O-OG 3.42Å; Q233-D237 PolarHBondContact NE2-OD1 2.86Å; Q233-D237 PolarHBondContact NE2-OD2 2.9Å; Q233-D237 WeakPolarHBondContact O-CB 3.16Å; Q233-D237 PolarHBondContact O-N 2.84Å |
| 234 | I | 40.8 | Very low | 42.2 | Very low | 79 Ų | 79 | 98.3 Ų | 98.3 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.4 | -31 | 174.8 | -68 | 165 | 0 | 0 | 0 | 110.8 | E230 K238 | E230-I234 WeakPolarHBondContact O-CB 3.29Å; E230-I234 VanDerWaalsContact O-CG1 3.26Å; E230-I234 WeakPolarHBondContact O-CG1 3.34Å; E230-I234 PolarHBondContact O-N 3.29Å; I234-K238 HydrophobicContact CG2-CD 4.49Å; I234-K238 PolarHBondContact O-N 2.91Å |
| 235 | I | 42.8 | Very low | 42 | Very low | 64 Ų | 64 | 103.3 Ų | 103.3 | 33% | 0.328 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 173.2 | -80.1 | 165.2 | 0 | 0 | 0 | 111.4 | S231 A232 Q233 T274 | S231-I235 VanDerWaalsContact O-CB 3.28Å; S231-I235 WeakPolarHBondContact O-CB 3.36Å; S231-I235 WeakPolarHBondContact O-CD1 3.46Å; S231-I235 WeakPolarHBondContact O-CG1 3.37Å; S231-I235 PolarHBondContact O-N 3.38Å; S231-I235 VanDerWaalsContact O-N 3.12Å; A232-I235 WeakPolarHBondContact O-CB 3.45Å; A232-I235 PolarHBondContact O-N 3.46Å; Q233-I235 PolarHBondContact O-N 2.99Å; I235-T274 HydrophobicContact CB-CG2 4.04Å; I235-T274 HydrophobicContact CD1-CG2 3.51Å; I235-T274 HydrophobicContact CG1-CG2 3.62Å; I235-T274 HydrophobicContact CG2-CG2 3.25Å |
| 236 | S | 45.4 | Very low | 41.8 | Very low | 46 Ų | 46 | 104.6 Ų | 104.6 | 32% | 0.322 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.8 | -38.5 | 176.3 | 57.9 | 0 | 0 | 0 | 0 | 111.9 | A232 Q233 F240 | A232-S236 PolarHBondContact O-N 2.98Å; A232-S236 VanDerWaalsContact O-N 3.09Å; Q233-S236 WeakPolarHBondContact CA-OG 3.35Å; Q233-S236 PolarHBondContact NE2-OG 3.28Å; Q233-S236 PolarHBondContact O-N 3.32Å; Q233-S236 PolarHBondContact O-OG 3.42Å; S236-F240 WeakPolarHBondContact O-CB 3.36Å |
| 237 | D | 41.3 | Very low | 41.6 | Very low | 110 Ų | 110 | 106.7 Ų | 106.7 | 59% | 0.588 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -91.3 | -16.4 | -165 | -60 | -6.2 | 0 | 0 | 0 | 113.6 | Q233 | Q233-D237 PolarHBondContact NE2-OD1 2.86Å; Q233-D237 PolarHBondContact NE2-OD2 2.9Å; Q233-D237 WeakPolarHBondContact O-CB 3.16Å; Q233-D237 PolarHBondContact O-N 2.84Å |
| 238 | K | 47.5 | Very low | 41.9 | Very low | 172 Ų | 172 | 109.8 Ų | 109.8 | 75% | 0.748 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -118.7 | -5.1 | -177.9 | -66.2 | -173.9 | 179.6 | 179 | 0 | 115.7 | I234 | I234-K238 HydrophobicContact CG2-CD 4.49Å; I234-K238 PolarHBondContact O-N 2.91Å |
| 239 | L | 44.2 | Very low | 41.7 | Very low | 77 Ų | 77 | 109.3 Ų | 109.3 | 40% | 0.403 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -121.6 | -9.3 | 178 | -65.9 | 171.7 | 0 | 0 | 0 | 114.1 | K241 M277 | L239-K241 PolarHBondContact O-N 3.48Å; L239-M277 HydrophobicContact CD1-CB 3.99Å; L239-M277 HydrophobicContact CD1-CG 4.36Å |
| 240 | F | 45.3 | Very low | 41.6 | Very low | 131 Ų | 131 | 108.5 Ų | 108.5 | 58% | 0.575 | 61% | 0.614 | S | S | * | * | trans | -97.6 | 68.9 | 174.2 | -103.4 | -90.9 | 0 | 0 | 0 | 111.9 | S236 | S236-F240 WeakPolarHBondContact O-CB 3.36Š| ||
| 241 | K | 37.6 | Very low | 42 | Very low | 216 Ų | 216 | 108.6 Ų | 108.6 | 94% | 0.939 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -132.2 | 74.6 | 153.7 | -76.4 | -170.6 | -179.8 | -177.3 | 0 | 107.9 | L239 | L239-K241 PolarHBondContact O-N 3.48Š|
| 242 | G | 39 | Very low | 42.6 | Very low | 65 Ų | 65 | 112 Ų | 112 | 67% | 0.67 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 141.2 | 73.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 243 | S | 36.8 | Very low | 43.1 | Very low | 78 Ų | 78 | 113.7 Ų | 113.7 | 55% | 0.545 | 68% | 0.677 | S | S | . | * | trans | -175.7 | 62.7 | 148.3 | 43.5 | 0 | 0 | 0 | 0 | 110.1 | K245 | S243-K245 PolarHBondContact O-N 3.5Å; S243-K245 VanDerWaalsContact O-N 3.13Å | ||
| 244 | S | 40 | Very low | 43.8 | Very low | 116 Ų | 116 | 117.1 Ų | 117.1 | 81% | 0.811 | 69% | 0.69 | S | S | * | * | trans | -71.4 | 96.3 | 157.4 | 49.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 245 | K | 40.3 | Very low | 44.7 | Very low | 188 Ų | 188 | 118.6 Ų | 118.6 | 82% | 0.817 | 71% | 0.705 | S | S | * | * | trans | 175.4 | 84.3 | 147.6 | -95.7 | 164.3 | -172.4 | -175.3 | 0 | 108.9 | S243 N247 | S243-K245 PolarHBondContact O-N 3.5Å; S243-K245 VanDerWaalsContact O-N 3.13Å; K245-N247 PolarHBondContact O-N 3.44Å | ||
| 246 | L | 40.2 | Very low | 46.2 | Very low | 161 Ų | 161 | 122.6 Ų | 122.6 | 84% | 0.843 | 72% | 0.72 | S | S | * | * | trans | -83.3 | 98.5 | 158.1 | -74.4 | 172 | 0 | 0 | 0 | 106.8 | S248 | L246-S248 PolarHBondContact O-N 3.35Š| ||
| 247 | N | 38.5 | Very low | 48.2 | Very low | 151 Ų | 151 | 124.3 Ų | 124.3 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | trans | -68 | 122.1 | 164.1 | -81.8 | -6 | 0 | 0 | 0 | 108.7 | K245 | K245-N247 PolarHBondContact O-N 3.44Š| ||
| 248 | S | 48.7 | Very low | 50.3 | Low | 113 Ų | 113 | 121.3 Ų | 121.3 | 79% | 0.79 | 71% | 0.71 | S | S | * | * | trans | -65.9 | 134.5 | 163.7 | 50.5 | 0 | 0 | 0 | 0 | 111 | L246 | L246-S248 PolarHBondContact O-N 3.35Š| ||
| 249 | A | 37 | Very low | 52.2 | Low | 101 Ų | 101 | 116.6 Ų | 116.6 | 84% | 0.835 | 70% | 0.696 | S | S | * | * | 173 | 132.8 | 129.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 250 | C | 44.9 | Very low | 54.3 | Low | 135 Ų | 135 | 113 Ų | 113 | 91% | 0.912 | 68% | 0.677 | S | S | * | * | trans | -85.2 | 123.7 | 167.1 | -175.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 251 | A | 47 | Very low | 56.3 | Low | 91 Ų | 91 | 115.5 Ų | 115.5 | 75% | 0.752 | 69% | 0.691 | S | S | * | * | trans | 164.7 | 89.3 | 156 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 252 | S | 52.5 | Low | 58.7 | Low | 97 Ų | 97 | 109.7 Ų | 109.7 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 156.5 | 133.9 | 154.1 | 47.3 | 0 | 0 | 0 | 0 | 108.2 | K254 | S252-K254 PolarHBondContact O-N 3.1Š|
| 253 | G | 55.7 | Low | 61.1 | Low | 93 Ų | 93 | 109.2 Ų | 109.2 | 96% | 0.959 | 66% | 0.658 | S | S | * | * | trans | -66.2 | 38 | -177 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 254 | K | 53.6 | Low | 63.5 | Low | 175 Ų | 175 | 107.8 Ų | 107.8 | 76% | 0.761 | 66% | 0.656 | S | S | * | * | trans | -85.8 | 125.1 | 171.9 | -67.4 | -177.8 | -178.7 | 175.9 | 0 | 108.8 | S252 K256 | S252-K254 PolarHBondContact O-N 3.1Å; K254-K256 PolarHBondContact O-N 3.27Å | ||
| 255 | P | 59.5 | Low | 65.8 | Low | 110 Ų | 110 | 107.9 Ų | 107.9 | 71% | 0.714 | 64% | 0.642 | S | S | * | * | trans | -61.1 | 123.7 | 176.6 | 23.7 | -30.9 | 0 | 0 | 0 | 109 | V257 | P255-V257 PolarHBondContact O-N 2.95Š| ||
| 256 | K | 76.1 | Confident | 68.2 | Low | 148 Ų | 148 | 103.1 Ų | 103.1 | 64% | 0.643 | 63% | 0.629 | S | S | * | * | trans | -62.8 | 107.7 | 174.8 | -174.1 | 173.4 | -177.6 | 172.6 | 0 | 108.6 | K254 F258 | K254-K256 PolarHBondContact O-N 3.27Å; K256-F258 HydrophobicContact CD-CZ 3.98Å; K256-F258 HydrophobicContact CG-CE2 4.15Å; K256-F258 HydrophobicContact CG-CZ 3.98Å | ||
| 257 | V | 86.1 | Confident | 70.4 | Confident | 82 Ų | 82 | 97.4 Ų | 97.4 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | trans | -101.3 | 150.6 | 178.2 | -67.9 | 0 | 0 | 0 | 0 | 110.9 | P255 V266 F267 | P255-V257 PolarHBondContact O-N 2.95Å; V257-V266 HydrophobicContact CB-CG1 3.53Å; V257-V266 HydrophobicContact CG1-CG1 3.91Å; V257-V266 HydrophobicContact CG2-CG1 4Å; V257-F267 CarbonylContact C-O 3.55Å; V257-F267 WeakPolarHBondContact CA-O 3.45Å | ||
| 258 | F | 86.8 | Confident | 72.7 | Confident | 47 Ų | 47 | 96.1 Ų | 96.1 | 21% | 0.206 | 59% | 0.59 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.6 | 117.6 | -177.7 | -60.8 | -91.5 | 0 | 0 | 0 | 108.5 | K256 V266 F267 H270 L273 | K256-F258 HydrophobicContact CD-CZ 3.98Å; K256-F258 HydrophobicContact CG-CE2 4.15Å; K256-F258 HydrophobicContact CG-CZ 3.98Å; F258-V266 CarbonylContact O-C 3.28Å; F258-F267 HydrophobicContact CB-CB 4.45Å; F258-F267 PolarHBondContact N-O 3.14Å; F258-F267 PolarHBondContact O-N 2.91Å; F258-H270 HydrophobicContact CD1-CB 3.97Å; F258-H270 AromaticContact CD1-CD2 3.89Å; F258-H270 HydrophobicContact CD2-CB 4.44Å; F258-H270 VanDerWaalsContact CD2-N 3.26Å; F258-H270 HydrophobicContact CE1-CB 3.67Å; F258-H270 AromaticContact CE1-CD2 3.96Å; F258-H270 HydrophobicContact CE2-CB 4.18Å; F258-H270 VanDerWaalsContact CE2-N 3.27Å; F258-H270 HydrophobicContact CG-CB 4.33Å; F258-H270 HydrophobicContact CZ-CB 3.78Å; F258-L273 HydrophobicContact CB-CB 4.19Å; F258-L273 HydrophobicContact CB-CD2 3.91Å |
| 259 | T | 86.7 | Confident | 74.4 | Confident | 73 Ų | 73 | 91.6 Ų | 91.6 | 45% | 0.448 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.5 | 135.9 | -176.1 | -54.3 | 0 | 0 | 0 | 0 | 110.4 | E261 K265 V266 | T259-E261 PolarHBondContact O-N 2.83Å; T259-K265 CarbonylContact C-O 3.55Å; T259-K265 WeakPolarHBondContact CA-O 3.48Å; T259-V266 HydrophobicContact CG2-CG2 4.25Å |
| 260 | C | 89 | Confident | 76.4 | Confident | 1 Ų | 1 | 91.1 Ų | 91.1 | 1% | 0.007 | 54% | 0.54 | C | S | . | . | trans | -75.9 | 119.4 | 170.9 | 178.5 | 0 | 0 | 0 | 0 | 109.8 | V262 C263 G264 K265 F267 L273 H276 H280 | C260-V262 PolarHBondContact O-N 3.02Å; C260-C263 VanDerWaalsContact SG-SG 3.67Å; C260-G264 WeakPolarHBondContact O-CA 3.41Å; C260-G264 PolarHBondContact O-N 3.41Å; C260-K265 HydrophobicContact CB-CB 4.4Å; C260-K265 PolarHBondContact N-O 2.8Å; C260-F267 HydrophobicContact CB-CE2 4.07Å; C260-L273 HydrophobicContact CB-CD1 3.6Å; C260-H276 PolarHBondContact SG-NE2 3.38Å; C260-H280 PolarHBondContact SG-NE2 3.16Å; C260-H280 VanDerWaalsContact SG-NE2 3.38Å | ||
| 261 | E | 86.8 | Confident | 78 | Confident | 185 Ų | 185 | 91.8 Ų | 91.8 | 86% | 0.864 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -26.4 | -179.6 | -63.6 | 176.3 | 178.1 | 0 | 0 | 112.9 | T259 | T259-E261 PolarHBondContact O-N 2.83Š|
| 262 | V | 88 | Confident | 79.7 | Confident | 94 Ų | 94 | 88.3 Ų | 88.3 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -32.6 | -176.2 | -173.2 | 0 | 0 | 0 | 0 | 112.9 | C260 H280 | C260-V262 PolarHBondContact O-N 3.02Å; V262-H280 HydrophobicContact CG1-CB 4.16Å; V262-H280 VanDerWaalsContact CG1-ND1 3.33Å; V262-H280 WeakPolarHBondContact CG1-ND1 3.31Å; V262-H280 HydrophobicContact CG2-CB 4.47Å |
| 263 | C | 88.9 | Confident | 81 | Confident | 54 Ų | 54 | 84.9 Ų | 84.9 | 37% | 0.365 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.8 | 8.7 | -177.3 | 68 | 0 | 0 | 0 | 0 | 115.5 | C260 K265 H276 H280 | C260-C263 VanDerWaalsContact SG-SG 3.67Å; C263-K265 PolarHBondContact O-N 2.82Å; C263-H276 PolarHBondContact SG-NE2 3.47Å; C263-H280 PolarHBondContact SG-NE2 3.15Å |
| 264 | G | 87.9 | Confident | 82.2 | Confident | 48 Ų | 48 | 81.2 Ų | 81.2 | 50% | 0.495 | 43% | 0.426 | S | S | . | . | trans | 66.3 | 6.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | C260 V266 | C260-G264 WeakPolarHBondContact O-CA 3.41Å; C260-G264 PolarHBondContact O-N 3.41Å; G264-V266 PolarHBondContact O-N 3.34Å | ||
| 265 | K | 88.6 | Confident | 83.5 | Confident | 118 Ų | 118 | 78.5 Ų | 78.5 | 51% | 0.513 | 41% | 0.411 | S | S | . | . | trans | -69.4 | 130.2 | -178.6 | -76.9 | -178.6 | -176.8 | 175.8 | 0 | 111.3 | T259 C260 C263 F267 | T259-K265 CarbonylContact C-O 3.55Å; T259-K265 WeakPolarHBondContact CA-O 3.48Å; C260-K265 HydrophobicContact CB-CB 4.4Å; C260-K265 PolarHBondContact N-O 2.8Å; C263-K265 PolarHBondContact O-N 2.82Å; K265-F267 HydrophobicContact CB-CE2 3.78Å; K265-F267 HydrophobicContact CB-CZ 3.93Å; K265-F267 WeakPolarHBondContact O-CD2 3.3Å; K265-F267 WeakPolarHBondContact O-CE2 3.13Å | ||
| 266 | V | 89.8 | Confident | 84.7 | Confident | 89 Ų | 89 | 74.2 Ų | 74.2 | 54% | 0.539 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 133.4 | -179.9 | -172.3 | 0 | 0 | 0 | 0 | 110.4 | V257 F258 T259 G264 | V257-V266 HydrophobicContact CB-CG1 3.53Å; V257-V266 HydrophobicContact CG1-CG1 3.91Å; V257-V266 HydrophobicContact CG2-CG1 4Å; F258-V266 CarbonylContact O-C 3.28Å; T259-V266 HydrophobicContact CG2-CG2 4.25Å; G264-V266 PolarHBondContact O-N 3.34Å |
| 267 | F | 86.9 | Confident | 84.9 | Confident | 41 Ų | 41 | 69.3 Ų | 69.3 | 18% | 0.18 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 144 | 178.9 | -60.6 | -84.1 | 0 | 0 | 0 | 110 | V257 F258 C260 K265 A269 N272 L273 H276 | V257-F267 CarbonylContact C-O 3.55Å; V257-F267 WeakPolarHBondContact CA-O 3.45Å; F258-F267 HydrophobicContact CB-CB 4.45Å; F258-F267 PolarHBondContact N-O 3.14Å; F258-F267 PolarHBondContact O-N 2.91Å; C260-F267 HydrophobicContact CB-CE2 4.07Å; K265-F267 HydrophobicContact CB-CE2 3.78Å; K265-F267 HydrophobicContact CB-CZ 3.93Å; K265-F267 WeakPolarHBondContact O-CD2 3.3Å; K265-F267 WeakPolarHBondContact O-CE2 3.13Å; F267-A269 PolarHBondContact O-N 3.19Å; F267-N272 HydrophobicContact CB-CB 4.08Å; F267-N272 HydrophobicContact CD1-CB 3.82Å; F267-N272 HydrophobicContact CG-CB 4.24Å; F267-L273 HydrophobicContact CB-CB 4.34Å; F267-L273 HydrophobicContact CD2-CB 3.83Å; F267-L273 HydrophobicContact CD2-CD1 3.76Å; F267-L273 HydrophobicContact CD2-CG 4.39Å; F267-L273 HydrophobicContact CE2-CD1 3.81Å; F267-L273 HydrophobicContact CG-CB 4.2Å; F267-H276 HydrophobicContact CE1-CB 3.98Å; F267-H276 HydrophobicContact CE2-CB 4.06Å; F267-H276 AromaticContact CE2-CD2 3.54Å; F267-H276 AromaticContact CE2-CG 3.82Å; F267-H276 HydrophobicContact CZ-CB 3.49Å; F267-H276 VanDerWaalsContact CZ-CB 3.49Å; F267-H276 AromaticContact CZ-CD2 3.47Å; F267-H276 VanDerWaalsContact CZ-CD2 3.47Å; F267-H276 WeakPolarHBondContact CZ-CD2 3.05Å; F267-H276 AromaticContact CZ-CG 3.29Å; F267-H276 AromaticContact CZ-ND1 3.79Å |
| 268 | N | 87.1 | Confident | 84.9 | Confident | 123 Ų | 123 | 66.2 Ų | 66.2 | 66% | 0.658 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -80.9 | -2.6 | 177.9 | 64.2 | -9.5 | 0 | 0 | 0 | 113.8 | N272 | N268-N272 PolarHBondContact OD1-ND2 3.33Š|
| 269 | A | 83.1 | Confident | 84.8 | Confident | 19 Ų | 19 | 67 Ų | 67 | 16% | 0.157 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -154.9 | 145.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F267 Y271 N272 L273 | F267-A269 PolarHBondContact O-N 3.19Å; A269-Y271 VanDerWaalsContact C-N 3.35Å; A269-Y271 HydrophobicContact CB-CD1 3.45Å; A269-Y271 VanDerWaalsContact CB-CD1 3.45Å; A269-Y271 HydrophobicContact CB-CE1 3.23Å; A269-Y271 PolarHBondContact O-N 3.33Å; A269-N272 WeakPolarHBondContact O-CB 3.43Å; A269-N272 PolarHBondContact O-N 3.3Å; A269-N272 VanDerWaalsContact O-N 3.12Å; A269-L273 PolarHBondContact O-N 3.2Å |
| 270 | H | 79.8 | Confident | 84.7 | Confident | 90 Ų | 90 | 66.8 Ų | 66.8 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.4 | -44.8 | -179.3 | -175.4 | -100.4 | 0 | 0 | 0 | 112.1 | F258 N272 L273 T274 | F258-H270 HydrophobicContact CD1-CB 3.97Å; F258-H270 AromaticContact CD1-CD2 3.89Å; F258-H270 HydrophobicContact CD2-CB 4.44Å; F258-H270 VanDerWaalsContact CD2-N 3.26Å; F258-H270 HydrophobicContact CE1-CB 3.67Å; F258-H270 AromaticContact CE1-CD2 3.96Å; F258-H270 HydrophobicContact CE2-CB 4.18Å; F258-H270 VanDerWaalsContact CE2-N 3.27Å; F258-H270 HydrophobicContact CG-CB 4.33Å; F258-H270 HydrophobicContact CZ-CB 3.78Å; H270-N272 PolarHBondContact O-N 3.37Å; H270-N272 VanDerWaalsContact O-N 3.12Å; H270-L273 WeakPolarHBondContact O-CB 3.26Å; H270-L273 PolarHBondContact O-N 3.02Å; H270-T274 PolarHBondContact CE1-OG1 3.05Å; H270-T274 PolarHBondContact ND1-OG1 3.01Å; H270-T274 PolarHBondContact O-N 3.12Å; H270-T274 PolarHBondContact O-OG1 3.46Å |
| 271 | Y | 78.9 | Confident | 84.3 | Confident | 149 Ų | 149 | 70.9 Ų | 70.9 | 58% | 0.584 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.5 | -29 | 179.7 | 79.2 | -90.9 | 0 | 0 | 0 | 113.1 | A269 R275 | A269-Y271 VanDerWaalsContact C-N 3.35Å; A269-Y271 HydrophobicContact CB-CD1 3.45Å; A269-Y271 VanDerWaalsContact CB-CD1 3.45Å; A269-Y271 HydrophobicContact CB-CE1 3.23Å; A269-Y271 PolarHBondContact O-N 3.33Å; Y271-R275 VanDerWaalsContact O-CB 3.29Å; Y271-R275 WeakPolarHBondContact O-CB 3.4Å; Y271-R275 PolarHBondContact O-N 3.31Å |
| 272 | N | 81.2 | Confident | 84.1 | Confident | 19 Ų | 19 | 64 Ų | 64 | 10% | 0.102 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -71.9 | -42.1 | 175.9 | -76.6 | -40.8 | 0 | 0 | 0 | 111.5 | F267 N268 A269 H270 R275 H276 | F267-N272 HydrophobicContact CB-CB 4.08Å; F267-N272 HydrophobicContact CD1-CB 3.82Å; F267-N272 HydrophobicContact CG-CB 4.24Å; N268-N272 PolarHBondContact OD1-ND2 3.33Å; A269-N272 WeakPolarHBondContact O-CB 3.43Å; A269-N272 PolarHBondContact O-N 3.3Å; A269-N272 VanDerWaalsContact O-N 3.12Å; H270-N272 PolarHBondContact O-N 3.37Å; H270-N272 VanDerWaalsContact O-N 3.12Å; N272-R275 PolarHBondContact O-N 3.48Å; N272-R275 PolarHBondContact OD1-NH2 2.99Å; N272-H276 WeakPolarHBondContact O-CB 3.37Å; N272-H276 PolarHBondContact O-N 3.47Å |
| 273 | L | 80.9 | Confident | 83.8 | Confident | 25 Ų | 25 | 61.6 Ų | 61.6 | 13% | 0.131 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 172.5 | 173.4 | 60.8 | 0 | 0 | 0 | 110.4 | F258 C260 F267 A269 H270 R275 H276 M277 | F258-L273 HydrophobicContact CB-CB 4.19Å; F258-L273 HydrophobicContact CB-CD2 3.91Å; C260-L273 HydrophobicContact CB-CD1 3.6Å; F267-L273 HydrophobicContact CB-CB 4.34Å; F267-L273 HydrophobicContact CD2-CB 3.83Å; F267-L273 HydrophobicContact CD2-CD1 3.76Å; F267-L273 HydrophobicContact CD2-CG 4.39Å; F267-L273 HydrophobicContact CE2-CD1 3.81Å; F267-L273 HydrophobicContact CG-CB 4.2Å; A269-L273 PolarHBondContact O-N 3.2Å; H270-L273 WeakPolarHBondContact O-CB 3.26Å; H270-L273 PolarHBondContact O-N 3.02Å; L273-R275 PolarHBondContact O-N 3.27Å; L273-H276 CarbonylContact O-C 3.51Å; L273-H276 WeakPolarHBondContact O-CA 3.3Å; L273-H276 VanDerWaalsContact O-CB 3.25Å; L273-H276 WeakPolarHBondContact O-CB 3.33Å; L273-H276 PolarHBondContact O-N 3.38Å; L273-M277 HydrophobicContact CD1-SD 3.93Å; L273-M277 HydrophobicContact CG-SD 4.44Å; L273-M277 WeakPolarHBondContact O-CG 3.47Å; L273-M277 PolarHBondContact O-N 3.22Å |
| 274 | T | 80.1 | Confident | 83.5 | Confident | 15 Ų | 15 | 66.1 Ų | 66.1 | 9% | 0.092 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.9 | -46.1 | 177.5 | -52 | 0 | 0 | 0 | 0 | 112.5 | I235 H270 H276 M277 P278 | I235-T274 HydrophobicContact CB-CG2 4.04Å; I235-T274 HydrophobicContact CD1-CG2 3.51Å; I235-T274 HydrophobicContact CG1-CG2 3.62Å; I235-T274 HydrophobicContact CG2-CG2 3.25Å; H270-T274 PolarHBondContact CE1-OG1 3.05Å; H270-T274 PolarHBondContact ND1-OG1 3.01Å; H270-T274 PolarHBondContact O-N 3.12Å; H270-T274 PolarHBondContact O-OG1 3.46Å; T274-H276 PolarHBondContact O-N 2.76Å; T274-M277 PolarHBondContact O-N 3.37Å; T274-P278 VanDerWaalsContact O-CD 3.28Å; T274-P278 WeakPolarHBondContact O-CD 3.38Å |
| 275 | R | 81.1 | Confident | 83.2 | Confident | 119 Ų | 119 | 66.5 Ų | 66.5 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.8 | -20.9 | 175.7 | -176.8 | 173.4 | 63.9 | 177.9 | -2.4 | 112.9 | Y271 N272 L273 Q297 | Y271-R275 VanDerWaalsContact O-CB 3.29Å; Y271-R275 WeakPolarHBondContact O-CB 3.4Å; Y271-R275 PolarHBondContact O-N 3.31Å; N272-R275 PolarHBondContact O-N 3.48Å; N272-R275 PolarHBondContact OD1-NH2 2.99Å; L273-R275 PolarHBondContact O-N 3.27Å; R275-Q297 HydrophobicContact CG-CG 3.94Å |
| 276 | H | 84 | Confident | 82.9 | Confident | 19 Ų | 19 | 61.8 Ų | 61.8 | 9% | 0.088 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -82.2 | -32.1 | 176 | 169.4 | 70.4 | 0 | 0 | 0 | 112.7 | C260 C263 F267 N272 L273 T274 P278 V279 H280 | C260-H276 PolarHBondContact SG-NE2 3.38Å; C263-H276 PolarHBondContact SG-NE2 3.47Å; F267-H276 HydrophobicContact CE1-CB 3.98Å; F267-H276 HydrophobicContact CE2-CB 4.06Å; F267-H276 AromaticContact CE2-CD2 3.54Å; F267-H276 AromaticContact CE2-CG 3.82Å; F267-H276 HydrophobicContact CZ-CB 3.49Å; F267-H276 VanDerWaalsContact CZ-CB 3.49Å; F267-H276 AromaticContact CZ-CD2 3.47Å; F267-H276 VanDerWaalsContact CZ-CD2 3.47Å; F267-H276 WeakPolarHBondContact CZ-CD2 3.05Å; F267-H276 AromaticContact CZ-CG 3.29Å; F267-H276 AromaticContact CZ-ND1 3.79Å; N272-H276 WeakPolarHBondContact O-CB 3.37Å; N272-H276 PolarHBondContact O-N 3.47Å; L273-H276 CarbonylContact O-C 3.51Å; L273-H276 WeakPolarHBondContact O-CA 3.3Å; L273-H276 VanDerWaalsContact O-CB 3.25Å; L273-H276 WeakPolarHBondContact O-CB 3.33Å; L273-H276 PolarHBondContact O-N 3.38Å; T274-H276 PolarHBondContact O-N 2.76Å; H276-P278 VanDerWaalsContact C-CD 3.4Å; H276-P278 VanDerWaalsContact C-N 3.34Å; H276-P278 VanDerWaalsContact O-N 3.16Å; H276-V279 WeakPolarHBondContact O-CB 3.45Å; H276-V279 WeakPolarHBondContact O-CG2 3.39Å; H276-V279 PolarHBondContact O-N 2.93Å; H276-H280 AromaticContact CE1-NE2 3.62Å; H276-H280 AromaticContact NE2-CD2 3.78Å; H276-H280 AromaticContact NE2-NE2 3.09Å; H276-H280 PolarHBondContact NE2-NE2 2.83Å |
| 277 | M | 81.3 | Confident | 82.7 | Confident | 46 Ų | 46 | 61.4 Ų | 61.4 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -38.2 | -178 | -61.7 | -49.5 | -69.9 | 0 | 0 | 115.7 | L239 L273 T274 V279 H280 T281 | L239-M277 HydrophobicContact CD1-CB 3.99Å; L239-M277 HydrophobicContact CD1-CG 4.36Å; L273-M277 HydrophobicContact CD1-SD 3.93Å; L273-M277 HydrophobicContact CG-SD 4.44Å; L273-M277 WeakPolarHBondContact O-CG 3.47Å; L273-M277 PolarHBondContact O-N 3.22Å; T274-M277 PolarHBondContact O-N 3.37Å; M277-V279 PolarHBondContact O-N 2.9Å; M277-H280 PolarHBondContact O-N 3.45Å; M277-T281 PolarHBondContact O-N 2.99Å |
| 278 | P | 85.6 | Confident | 82.7 | Confident | 17 Ų | 17 | 59.5 Ų | 59.5 | 11% | 0.11 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.4 | -13.2 | 174 | -26.6 | 35.5 | 0 | 0 | 0 | 115.1 | T274 H276 G282 A283 R296 | T274-P278 VanDerWaalsContact O-CD 3.28Å; T274-P278 WeakPolarHBondContact O-CD 3.38Å; H276-P278 VanDerWaalsContact C-CD 3.4Å; H276-P278 VanDerWaalsContact C-N 3.34Å; H276-P278 VanDerWaalsContact O-N 3.16Å; P278-G282 PolarHBondContact O-N 3.11Å; P278-A283 HydrophobicContact CB-CB 4.48Å; P278-R296 HydrophobicContact CB-CB 4.18Å; P278-R296 HydrophobicContact CB-CG 3.96Å; P278-R296 PolarHBondContact O-NE 3.14Å |
| 279 | V | 85.9 | Confident | 82.7 | Confident | 64 Ų | 64 | 63.7 Ų | 63.7 | 39% | 0.388 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 172.9 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | H276 M277 R296 | H276-V279 WeakPolarHBondContact O-CB 3.45Å; H276-V279 WeakPolarHBondContact O-CG2 3.39Å; H276-V279 PolarHBondContact O-N 2.93Å; M277-V279 PolarHBondContact O-N 2.9Å; V279-R296 VanDerWaalsContact CA-CZ 3.48Å; V279-R296 PolarHBondContact O-NH2 3.27Å; V279-R296 VanDerWaalsContact O-NH2 3.15Å |
| 280 | H | 83.5 | Confident | 82.9 | Confident | 67 Ų | 67 | 68 Ų | 68 | 31% | 0.31 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -84.7 | -44.3 | -176.9 | -64.7 | -59.4 | 0 | 0 | 0 | 112.4 | C260 V262 C263 H276 M277 G282 | C260-H280 PolarHBondContact SG-NE2 3.16Å; C260-H280 VanDerWaalsContact SG-NE2 3.38Å; V262-H280 HydrophobicContact CG1-CB 4.16Å; V262-H280 VanDerWaalsContact CG1-ND1 3.33Å; V262-H280 WeakPolarHBondContact CG1-ND1 3.31Å; V262-H280 HydrophobicContact CG2-CB 4.47Å; C263-H280 PolarHBondContact SG-NE2 3.15Å; H276-H280 AromaticContact CE1-NE2 3.62Å; H276-H280 AromaticContact NE2-CD2 3.78Å; H276-H280 AromaticContact NE2-NE2 3.09Å; H276-H280 PolarHBondContact NE2-NE2 2.83Å; M277-H280 PolarHBondContact O-N 3.45Å; H280-G282 PolarHBondContact O-N 2.94Å |
| 281 | T | 80.9 | Confident | 83.4 | Confident | 87 Ų | 87 | 66.7 Ų | 66.7 | 53% | 0.534 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -75.4 | -11.1 | -178 | 61 | 0 | 0 | 0 | 0 | 113.2 | M277 A283 | M277-T281 PolarHBondContact O-N 2.99Å; T281-A283 PolarHBondContact O-N 3.37Å; T281-A283 VanDerWaalsContact O-N 3.08Å; T281-A283 VanDerWaalsContact OG1-CB 3.26Å; T281-A283 WeakPolarHBondContact OG1-CB 3.29Å; T281-A283 PolarHBondContact OG1-N 3.26Å |
| 282 | G | 82.9 | Confident | 83.8 | Confident | 40 Ų | 40 | 62.3 Ų | 62.3 | 41% | 0.412 | 35% | 0.348 | S | S | . | . | trans | 68 | 1.1 | -171 | 0 | 0 | 0 | 0 | 0 | 113.8 | P278 H280 R284 | P278-G282 PolarHBondContact O-N 3.11Å; H280-G282 PolarHBondContact O-N 2.94Å; G282-R284 PolarHBondContact O-N 2.8Å | ||
| 283 | A | 81.9 | Confident | 84.2 | Confident | 44 Ų | 44 | 66.8 Ų | 66.8 | 36% | 0.364 | 37% | 0.367 | S | S | . | . | trans | -57.9 | 136.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P278 T281 R296 | P278-A283 HydrophobicContact CB-CB 4.48Å; T281-A283 PolarHBondContact O-N 3.37Å; T281-A283 VanDerWaalsContact O-N 3.08Å; T281-A283 VanDerWaalsContact OG1-CB 3.26Å; T281-A283 WeakPolarHBondContact OG1-CB 3.29Å; T281-A283 PolarHBondContact OG1-N 3.26Å; A283-R296 WeakPolarHBondContact O-CG 3.35Å | ||
| 284 | R | 83.2 | Confident | 84.5 | Confident | 150 Ų | 150 | 66.2 Ų | 66.2 | 57% | 0.566 | 37% | 0.366 | S | S | * | . | trans | -129.6 | 71.4 | 178.4 | -73.5 | 173.2 | 177.7 | -176.9 | 5.6 | 109 | G282 F286 G294 F295 R296 | G282-R284 PolarHBondContact O-N 2.8Å; R284-F286 PolarHBondContact O-N 3.03Å; R284-G294 WeakPolarHBondContact CD-O 3.4Å; R284-F295 CarbonylContact C-O 3.58Å; R284-F295 WeakPolarHBondContact CA-O 3.13Å; R284-R296 HydrophobicContact CG-CG 4.45Å | ||
| 285 | P | 79.9 | Confident | 84.7 | Confident | 56 Ų | 56 | 67 Ų | 67 | 36% | 0.364 | 37% | 0.368 | S | S | . | . | trans | -62.9 | -13.8 | -172.7 | 24.7 | -33.3 | 0 | 0 | 0 | 113.3 | F295 | P285-F295 WeakPolarHBondContact CD-O 3.16Š| ||
| 286 | F | 83.9 | Confident | 84.8 | Confident | 19 Ų | 19 | 65.9 Ų | 65.9 | 8% | 0.083 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 95.8 | -169.6 | -61.8 | -45.9 | 0 | 0 | 0 | 111 | Y227 R284 G294 F295 R296 Q297 A298 L301 | Y227-F286 HydrophobicContact CD1-CD1 4.47Å; Y227-F286 HydrophobicContact CD1-CE1 4.12Å; Y227-F286 HydrophobicContact CD2-CD1 4.27Å; Y227-F286 HydrophobicContact CD2-CE1 4.26Å; Y227-F286 AromaticContact CE1-CD1 3.57Å; Y227-F286 HydrophobicContact CE1-CD1 3.57Å; Y227-F286 AromaticContact CE1-CE1 3.56Å; Y227-F286 HydrophobicContact CE1-CE1 3.56Å; Y227-F286 HydrophobicContact CE1-CG 4.25Å; Y227-F286 HydrophobicContact CE1-CZ 4.39Å; Y227-F286 AromaticContact CE2-CD1 3.28Å; Y227-F286 HydrophobicContact CE2-CD1 3.28Å; Y227-F286 AromaticContact CE2-CE1 3.68Å; Y227-F286 HydrophobicContact CE2-CE1 3.68Å; Y227-F286 HydrophobicContact CE2-CG 4.33Å; Y227-F286 HydrophobicContact CG-CE1 4.48Å; Y227-F286 AromaticContact CZ-CD1 2.89Å; Y227-F286 AromaticContact CZ-CE1 3.34Å; Y227-F286 AromaticContact CZ-CG 3.64Å; Y227-F286 WeakPolarHBondContact OH-CA 3.42Å; Y227-F286 WeakPolarHBondContact OH-CB 3.38Å; Y227-F286 WeakPolarHBondContact OH-CD1 3.45Å; Y227-F286 WeakPolarHBondContact OH-CG 3.3Å; R284-F286 PolarHBondContact O-N 3.03Å; F286-G294 CarbonylContact O-C 3.56Å; F286-G294 WeakPolarHBondContact O-CA 3.28Å; F286-F295 HydrophobicContact CB-CB 4.06Å; F286-F295 WeakPolarHBondContact CB-O 3.47Å; F286-F295 PolarHBondContact N-O 3.2Å; F286-F295 WeakPolarHBondContact O-CB 3.48Å; F286-F295 WeakPolarHBondContact O-CD2 3.28Å; F286-F295 PolarHBondContact O-N 2.97Å; F286-R296 VanDerWaalsContact CD2-C 3.44Å; F286-R296 WeakPolarHBondContact CD2-O 3.15Å; F286-R296 WeakPolarHBondContact CE2-O 3.41Å; F286-Q297 VanDerWaalsContact CE2-CA 3.46Å; F286-A298 VanDerWaalsContact CD2-N 3.28Å; F286-A298 HydrophobicContact CE1-CB 4.34Å; F286-A298 HydrophobicContact CE2-CB 4.4Å; F286-A298 VanDerWaalsContact CE2-N 3.27Å; F286-A298 HydrophobicContact CZ-CB 4.11Å; F286-L301 HydrophobicContact CB-CB 4.38Å; F286-L301 HydrophobicContact CB-CD2 4.36Å |
| 287 | V | 85.4 | Confident | 84.7 | Confident | 81 Ų | 81 | 67.8 Ų | 67.8 | 49% | 0.491 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 134.4 | -172.7 | -175.4 | 0 | 0 | 0 | 0 | 111.8 | K289 G292 | V287-K289 PolarHBondContact O-N 2.98Å; V287-G292 WeakPolarHBondContact CG1-O 3.42Å |
| 288 | C | 86.8 | Confident | 84.5 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.007 | 37% | 0.372 | C | S | . | . | trans | -74.6 | 120.2 | 170.5 | -173.8 | 0 | 0 | 0 | 0 | 110 | V290 G292 K293 F295 L301 H308 | C288-V290 PolarHBondContact O-N 3.48Å; C288-G292 WeakPolarHBondContact O-CA 3.32Å; C288-G292 PolarHBondContact O-N 3.38Å; C288-K293 WeakPolarHBondContact CB-O 3.29Å; C288-K293 PolarHBondContact N-O 3.49Å; C288-F295 HydrophobicContact CB-CE2 4.22Å; C288-L301 HydrophobicContact CB-CD1 3.58Å; C288-H308 PolarHBondContact SG-NE2 3.11Å; C288-H308 VanDerWaalsContact SG-NE2 3.37Å | ||
| 289 | K | 87.2 | Confident | 84.3 | Confident | 210 Ų | 210 | 69.6 Ų | 69.6 | 91% | 0.913 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -25.8 | 178.4 | -64 | -171.7 | 177.7 | -175.2 | 0 | 113.4 | V287 | V287-K289 PolarHBondContact O-N 2.98Š|
| 290 | V | 86.8 | Confident | 84.2 | Confident | 109 Ų | 109 | 68 Ų | 68 | 66% | 0.661 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -40 | -176.5 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | C288 H308 | C288-V290 PolarHBondContact O-N 3.48Å; V290-H308 HydrophobicContact CG1-CB 4.42Å |
| 291 | C | 89.7 | Confident | 84.2 | Confident | 63 Ų | 63 | 65.3 Ų | 65.3 | 43% | 0.426 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | 7.8 | -175.9 | 66.2 | 0 | 0 | 0 | 0 | 114.6 | K293 H304 H308 | C291-K293 PolarHBondContact O-N 3.04Å; C291-K293 VanDerWaalsContact SG-CB 3.51Å; C291-H304 PolarHBondContact SG-NE2 3.22Å; C291-H308 PolarHBondContact SG-NE2 2.92Å; C291-H308 VanDerWaalsContact SG-NE2 3.37Å |
| 292 | G | 87.9 | Confident | 84.2 | Confident | 57 Ų | 57 | 63.6 Ų | 63.6 | 59% | 0.588 | 36% | 0.361 | S | S | * | . | trans | 65.9 | 3.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | V287 C288 G294 | V287-G292 WeakPolarHBondContact CG1-O 3.42Å; C288-G292 WeakPolarHBondContact O-CA 3.32Å; C288-G292 PolarHBondContact O-N 3.38Å; G292-G294 PolarHBondContact O-N 3.01Å | ||
| 293 | K | 89.3 | Confident | 84.1 | Confident | 114 Ų | 114 | 67 Ų | 67 | 50% | 0.496 | 36% | 0.362 | S | S | . | . | trans | -73.6 | 122.1 | -173.8 | -169.4 | 166.8 | -176.2 | 167.9 | 0 | 111.6 | C288 C291 F295 | C288-K293 WeakPolarHBondContact CB-O 3.29Å; C288-K293 PolarHBondContact N-O 3.49Å; C291-K293 PolarHBondContact O-N 3.04Å; C291-K293 VanDerWaalsContact SG-CB 3.51Å; K293-F295 HydrophobicContact CB-CE2 4.04Å; K293-F295 HydrophobicContact CB-CZ 4.28Å; K293-F295 HydrophobicContact CD-CE2 4.5Å; K293-F295 HydrophobicContact CD-CZ 3.91Å; K293-F295 HydrophobicContact CG-CE2 3.98Å; K293-F295 HydrophobicContact CG-CZ 3.85Å; K293-F295 VanDerWaalsContact O-CD2 3.28Å; K293-F295 WeakPolarHBondContact O-CD2 3.5Å; K293-F295 WeakPolarHBondContact O-CE2 3.42Å | ||
| 294 | G | 86.8 | Confident | 84.3 | Confident | 12 Ų | 12 | 65.9 Ų | 65.9 | 12% | 0.124 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 145.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R284 F286 G292 | R284-G294 WeakPolarHBondContact CD-O 3.4Å; F286-G294 CarbonylContact O-C 3.56Å; F286-G294 WeakPolarHBondContact O-CA 3.28Å; G292-G294 PolarHBondContact O-N 3.01Å |
| 295 | F | 84.6 | Confident | 84.2 | Confident | 31 Ų | 31 | 62.7 Ų | 62.7 | 14% | 0.136 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 153.8 | 179.1 | -63.6 | -87.7 | 0 | 0 | 0 | 111.2 | R284 P285 F286 C288 K293 L301 H304 | R284-F295 CarbonylContact C-O 3.58Å; R284-F295 WeakPolarHBondContact CA-O 3.13Å; P285-F295 WeakPolarHBondContact CD-O 3.16Å; F286-F295 HydrophobicContact CB-CB 4.06Å; F286-F295 WeakPolarHBondContact CB-O 3.47Å; F286-F295 PolarHBondContact N-O 3.2Å; F286-F295 WeakPolarHBondContact O-CB 3.48Å; F286-F295 WeakPolarHBondContact O-CD2 3.28Å; F286-F295 PolarHBondContact O-N 2.97Å; C288-F295 HydrophobicContact CB-CE2 4.22Å; K293-F295 HydrophobicContact CB-CE2 4.04Å; K293-F295 HydrophobicContact CB-CZ 4.28Å; K293-F295 HydrophobicContact CD-CE2 4.5Å; K293-F295 HydrophobicContact CD-CZ 3.91Å; K293-F295 HydrophobicContact CG-CE2 3.98Å; K293-F295 HydrophobicContact CG-CZ 3.85Å; K293-F295 VanDerWaalsContact O-CD2 3.28Å; K293-F295 WeakPolarHBondContact O-CD2 3.5Å; K293-F295 WeakPolarHBondContact O-CE2 3.42Å; F295-L301 HydrophobicContact CB-CB 4.24Å; F295-L301 HydrophobicContact CD2-CB 3.88Å; F295-L301 HydrophobicContact CD2-CD1 3.55Å; F295-L301 HydrophobicContact CD2-CG 4.29Å; F295-L301 HydrophobicContact CE2-CD1 3.68Å; F295-L301 HydrophobicContact CG-CB 4.14Å; F295-H304 HydrophobicContact CE1-CB 3.84Å; F295-H304 HydrophobicContact CE2-CB 3.99Å; F295-H304 AromaticContact CE2-CD2 3.32Å; F295-H304 WeakPolarHBondContact CE2-CD2 3.36Å; F295-H304 AromaticContact CE2-CG 3.67Å; F295-H304 AromaticContact CE2-NE2 3.9Å; F295-H304 HydrophobicContact CZ-CB 3.43Å; F295-H304 VanDerWaalsContact CZ-CB 3.43Å; F295-H304 AromaticContact CZ-CD2 3.29Å; F295-H304 WeakPolarHBondContact CZ-CD2 3.34Å; F295-H304 AromaticContact CZ-CE1 3.99Å; F295-H304 AromaticContact CZ-CG 3.15Å; F295-H304 AromaticContact CZ-ND1 3.63Å; F295-H304 AromaticContact CZ-NE2 3.78Å |
| 296 | R | 84.2 | Confident | 84.3 | Confident | 96 Ų | 96 | 61 Ų | 61 | 36% | 0.362 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -84.1 | -20.7 | 176.7 | -70.1 | 177.7 | 175.4 | 162.4 | -2.7 | 113.3 | P278 V279 A283 R284 F286 | P278-R296 HydrophobicContact CB-CB 4.18Å; P278-R296 HydrophobicContact CB-CG 3.96Å; P278-R296 PolarHBondContact O-NE 3.14Å; V279-R296 VanDerWaalsContact CA-CZ 3.48Å; V279-R296 PolarHBondContact O-NH2 3.27Å; V279-R296 VanDerWaalsContact O-NH2 3.15Å; A283-R296 WeakPolarHBondContact O-CG 3.35Å; R284-R296 HydrophobicContact CG-CG 4.45Å; F286-R296 VanDerWaalsContact CD2-C 3.44Å; F286-R296 WeakPolarHBondContact CD2-O 3.15Å; F286-R296 WeakPolarHBondContact CE2-O 3.41Å |
| 297 | Q | 80.9 | Confident | 84.3 | Confident | 60 Ų | 60 | 63.5 Ų | 63.5 | 28% | 0.28 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -135.1 | 143.7 | -178.6 | -63.4 | 178.4 | 7.8 | 0 | 0 | 112.5 | R275 F286 S299 T300 L301 | R275-Q297 HydrophobicContact CG-CG 3.94Å; F286-Q297 VanDerWaalsContact CE2-CA 3.46Å; Q297-S299 PolarHBondContact O-N 3.16Å; Q297-T300 HydrophobicContact CB-CG2 4.04Å; Q297-T300 PolarHBondContact N-OG1 3.05Å; Q297-T300 PolarHBondContact O-N 3.36Å; Q297-T300 VanDerWaalsContact O-N 3.12Å; Q297-T300 PolarHBondContact O-OG1 3.18Å; Q297-L301 PolarHBondContact O-N 2.95Å; Q297-L301 VanDerWaalsContact O-N 3.16Å |
| 298 | A | 77.8 | Confident | 84.2 | Confident | 25 Ų | 25 | 63 Ų | 63 | 21% | 0.207 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -54.1 | -49.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y227 F286 T300 L301 C302 | Y227-A298 HydrophobicContact CD1-CB 3.72Å; Y227-A298 HydrophobicContact CE1-CB 3.21Å; F286-A298 VanDerWaalsContact CD2-N 3.28Å; F286-A298 HydrophobicContact CE1-CB 4.34Å; F286-A298 HydrophobicContact CE2-CB 4.4Å; F286-A298 VanDerWaalsContact CE2-N 3.27Å; F286-A298 HydrophobicContact CZ-CB 4.11Å; A298-T300 PolarHBondContact O-N 3.46Å; A298-L301 PolarHBondContact O-N 2.7Å; A298-L301 VanDerWaalsContact O-N 3.09Å; A298-C302 PolarHBondContact O-N 3.33Å |
| 299 | S | 80 | Confident | 83.9 | Confident | 76 Ų | 76 | 66.5 Ų | 66.5 | 53% | 0.531 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.3 | -34.9 | 178.3 | 58.3 | 0 | 0 | 0 | 0 | 112.4 | Q297 R303 | Q297-S299 PolarHBondContact O-N 3.16Å; S299-R303 WeakPolarHBondContact O-CB 2.8Å; S299-R303 PolarHBondContact O-N 3.28Å |
| 300 | T | 84.4 | Confident | 83.5 | Confident | 30 Ų | 30 | 63 Ų | 63 | 18% | 0.184 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -73.3 | -34.8 | 178 | 62.3 | 0 | 0 | 0 | 0 | 112.7 | Q297 A298 H304 | Q297-T300 HydrophobicContact CB-CG2 4.04Å; Q297-T300 PolarHBondContact N-OG1 3.05Å; Q297-T300 PolarHBondContact O-N 3.36Å; Q297-T300 VanDerWaalsContact O-N 3.12Å; Q297-T300 PolarHBondContact O-OG1 3.18Å; A298-T300 PolarHBondContact O-N 3.46Å; T300-H304 WeakPolarHBondContact O-CB 2.95Å; T300-H304 PolarHBondContact O-N 3.38Å |
| 301 | L | 84.9 | Confident | 83.2 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.9 | -47.2 | 171.3 | 173.4 | 63 | 0 | 0 | 0 | 110.9 | Y227 F286 C288 F295 Q297 A298 R303 H304 K305 | Y227-L301 WeakPolarHBondContact OH-CD2 3.09Å; F286-L301 HydrophobicContact CB-CB 4.38Å; F286-L301 HydrophobicContact CB-CD2 4.36Å; C288-L301 HydrophobicContact CB-CD1 3.58Å; F295-L301 HydrophobicContact CB-CB 4.24Å; F295-L301 HydrophobicContact CD2-CB 3.88Å; F295-L301 HydrophobicContact CD2-CD1 3.55Å; F295-L301 HydrophobicContact CD2-CG 4.29Å; F295-L301 HydrophobicContact CE2-CD1 3.68Å; F295-L301 HydrophobicContact CG-CB 4.14Å; Q297-L301 PolarHBondContact O-N 2.95Å; Q297-L301 VanDerWaalsContact O-N 3.16Å; A298-L301 PolarHBondContact O-N 2.7Å; A298-L301 VanDerWaalsContact O-N 3.09Å; L301-R303 VanDerWaalsContact C-N 3.34Å; L301-R303 PolarHBondContact O-N 3.29Å; L301-H304 WeakPolarHBondContact O-CA 3.05Å; L301-H304 WeakPolarHBondContact O-CB 3.43Å; L301-H304 PolarHBondContact O-N 3.08Å; L301-K305 PolarHBondContact O-N 2.99Å |
| 302 | C | 80.8 | Confident | 82.8 | Confident | 50 Ų | 50 | 64.5 Ų | 64.5 | 34% | 0.338 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55.3 | -50.2 | 178.8 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | A298 H304 K305 | A298-C302 PolarHBondContact O-N 3.33Å; C302-H304 VanDerWaalsContact C-N 3.25Å; C302-H304 PolarHBondContact O-N 3.15Å; C302-K305 WeakPolarHBondContact O-CB 3.44Å; C302-K305 PolarHBondContact O-N 3.47Å; C302-K305 VanDerWaalsContact O-N 3.14Å |
| 303 | R | 80.4 | Confident | 82.4 | Confident | 112 Ų | 112 | 65.3 Ų | 65.3 | 42% | 0.423 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62 | -31.6 | 174.7 | -177.3 | 176.3 | 64.8 | -166.4 | -4.8 | 113.5 | S299 L301 | S299-R303 WeakPolarHBondContact O-CB 2.8Å; S299-R303 PolarHBondContact O-N 3.28Å; L301-R303 VanDerWaalsContact C-N 3.34Å; L301-R303 PolarHBondContact O-N 3.29Å |
| 304 | H | 85.8 | Confident | 82.3 | Confident | 20 Ų | 20 | 61.6 Ų | 61.6 | 9% | 0.093 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.1 | -35 | 177.1 | 165.6 | 70.2 | 0 | 0 | 0 | 112 | C291 F295 T300 L301 C302 I306 I307 H308 | C291-H304 PolarHBondContact SG-NE2 3.22Å; F295-H304 HydrophobicContact CE1-CB 3.84Å; F295-H304 HydrophobicContact CE2-CB 3.99Å; F295-H304 AromaticContact CE2-CD2 3.32Å; F295-H304 WeakPolarHBondContact CE2-CD2 3.36Å; F295-H304 AromaticContact CE2-CG 3.67Å; F295-H304 AromaticContact CE2-NE2 3.9Å; F295-H304 HydrophobicContact CZ-CB 3.43Å; F295-H304 VanDerWaalsContact CZ-CB 3.43Å; F295-H304 AromaticContact CZ-CD2 3.29Å; F295-H304 WeakPolarHBondContact CZ-CD2 3.34Å; F295-H304 AromaticContact CZ-CE1 3.99Å; F295-H304 AromaticContact CZ-CG 3.15Å; F295-H304 AromaticContact CZ-ND1 3.63Å; F295-H304 AromaticContact CZ-NE2 3.78Å; T300-H304 WeakPolarHBondContact O-CB 2.95Å; T300-H304 PolarHBondContact O-N 3.38Å; L301-H304 WeakPolarHBondContact O-CA 3.05Å; L301-H304 WeakPolarHBondContact O-CB 3.43Å; L301-H304 PolarHBondContact O-N 3.08Å; C302-H304 VanDerWaalsContact C-N 3.25Å; C302-H304 PolarHBondContact O-N 3.15Å; H304-I306 PolarHBondContact O-N 3.42Å; H304-I306 VanDerWaalsContact O-N 3.16Å; H304-I307 VanDerWaalsContact O-CB 3.28Å; H304-I307 WeakPolarHBondContact O-CB 3.44Å; H304-I307 PolarHBondContact O-N 3.45Å; H304-H308 AromaticContact CE1-NE2 3.69Å; H304-H308 AromaticContact NE2-NE2 3.22Å; H304-H308 PolarHBondContact NE2-NE2 2.94Å |
| 305 | K | 81.3 | Confident | 82.3 | Confident | 83 Ų | 83 | 68.1 Ų | 68.1 | 36% | 0.361 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57 | -30.8 | 178.9 | -69.5 | -177.3 | 175.1 | -171.3 | 0 | 113.3 | I219 L301 C302 I307 H308 T309 | I219-K305 HydrophobicContact CD1-CD 3.9Å; L301-K305 PolarHBondContact O-N 2.99Å; C302-K305 WeakPolarHBondContact O-CB 3.44Å; C302-K305 PolarHBondContact O-N 3.47Å; C302-K305 VanDerWaalsContact O-N 3.14Å; K305-I307 PolarHBondContact O-N 3.24Å; K305-I307 VanDerWaalsContact O-N 3.11Å; K305-H308 WeakPolarHBondContact O-CB 3.3Å; K305-H308 PolarHBondContact O-N 3.44Å; K305-T309 PolarHBondContact O-N 3.36Å |
| 306 | I | 82.6 | Confident | 82.7 | Confident | 22 Ų | 22 | 66.8 Ų | 66.8 | 11% | 0.113 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.3 | -27.2 | 175 | -56.7 | 173.3 | 0 | 0 | 0 | 112.1 | F216 H304 H308 T309 Q310 E311 N324 | F216-I306 HydrophobicContact CZ-CG1 4.5Å; H304-I306 PolarHBondContact O-N 3.42Å; H304-I306 VanDerWaalsContact O-N 3.16Å; I306-H308 VanDerWaalsContact C-N 3.27Å; I306-H308 PolarHBondContact O-N 2.89Å; I306-T309 PolarHBondContact O-N 3.4Å; I306-T309 PolarHBondContact O-OG1 3.49Å; I306-Q310 PolarHBondContact O-N 3.15Å; I306-Q310 VanDerWaalsContact O-N 3.15Å; I306-E311 HydrophobicContact CG2-CB 4.47Å; I306-E311 VanDerWaalsContact CG2-O 3.3Å; I306-E311 WeakPolarHBondContact CG2-O 3.45Å; I306-N324 HydrophobicContact CG2-CB 3.97Å |
| 307 | I | 84 | Confident | 82.9 | Confident | 71 Ų | 71 | 70 Ų | 70 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69 | -30.1 | 176.9 | -60.4 | 171.4 | 0 | 0 | 0 | 111 | H304 K305 Q310 | H304-I307 VanDerWaalsContact O-CB 3.28Å; H304-I307 WeakPolarHBondContact O-CB 3.44Å; H304-I307 PolarHBondContact O-N 3.45Å; K305-I307 PolarHBondContact O-N 3.24Å; K305-I307 VanDerWaalsContact O-N 3.11Å; I307-Q310 PolarHBondContact O-NE2 2.78Å |
| 308 | H | 82.5 | Confident | 83.3 | Confident | 71 Ų | 71 | 73.6 Ų | 73.6 | 33% | 0.329 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -77.5 | -34.9 | 177.7 | -64.5 | -57.1 | 0 | 0 | 0 | 112.1 | C288 V290 C291 H304 K305 I306 Q310 | C288-H308 PolarHBondContact SG-NE2 3.11Å; C288-H308 VanDerWaalsContact SG-NE2 3.37Å; V290-H308 HydrophobicContact CG1-CB 4.42Å; C291-H308 PolarHBondContact SG-NE2 2.92Å; C291-H308 VanDerWaalsContact SG-NE2 3.37Å; H304-H308 AromaticContact CE1-NE2 3.69Å; H304-H308 AromaticContact NE2-NE2 3.22Å; H304-H308 PolarHBondContact NE2-NE2 2.94Å; K305-H308 WeakPolarHBondContact O-CB 3.3Å; K305-H308 PolarHBondContact O-N 3.44Å; I306-H308 VanDerWaalsContact C-N 3.27Å; I306-H308 PolarHBondContact O-N 2.89Å; H308-Q310 VanDerWaalsContact C-N 3.27Å; H308-Q310 PolarHBondContact O-N 3.19Å |
| 309 | T | 79.6 | Confident | 84 | Confident | 74 Ų | 74 | 74.8 Ų | 74.8 | 45% | 0.454 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -78.3 | -13 | 177.6 | 63.8 | 0 | 0 | 0 | 0 | 112.8 | K305 I306 E311 | K305-T309 PolarHBondContact O-N 3.36Å; I306-T309 PolarHBondContact O-N 3.4Å; I306-T309 PolarHBondContact O-OG1 3.49Å; T309-E311 PolarHBondContact O-N 3.15Å; T309-E311 WeakPolarHBondContact OG1-CG 3.39Å; T309-E311 PolarHBondContact OG1-OE2 2.93Å |
| 310 | Q | 80 | Confident | 84.3 | Confident | 137 Ų | 137 | 73.8 Ų | 73.8 | 64% | 0.64 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 13.7 | -172.6 | -61.4 | -64.2 | -22.2 | 0 | 0 | 114 | I306 I307 H308 | I306-Q310 PolarHBondContact O-N 3.15Å; I306-Q310 VanDerWaalsContact O-N 3.15Å; I307-Q310 PolarHBondContact O-NE2 2.78Å; H308-Q310 VanDerWaalsContact C-N 3.27Å; H308-Q310 PolarHBondContact O-N 3.19Å |
| 311 | E | 79.4 | Confident | 84.6 | Confident | 85 Ų | 85 | 78.4 Ų | 78.4 | 40% | 0.397 | 40% | 0.398 | S | S | . | . | trans | -68 | 141.4 | 179.1 | -70.7 | 171.5 | 154.3 | 0 | 0 | 110.3 | I306 T309 | I306-E311 HydrophobicContact CG2-CB 4.47Å; I306-E311 VanDerWaalsContact CG2-O 3.3Å; I306-E311 WeakPolarHBondContact CG2-O 3.45Å; T309-E311 PolarHBondContact O-N 3.15Å; T309-E311 WeakPolarHBondContact OG1-CG 3.39Å; T309-E311 PolarHBondContact OG1-OE2 2.93Å | ||
| 312 | K | 82.5 | Confident | 84.8 | Confident | 118 Ų | 118 | 79.3 Ų | 79.3 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | trans | -127.2 | 77.5 | 177.6 | -69.4 | 170.3 | 177.3 | 179 | 0 | 109 | H314 A322 F323 | K312-H314 PolarHBondContact O-N 3.2Å; K312-H314 VanDerWaalsContact O-N 3.14Å; K312-A322 HydrophobicContact CB-CB 3.43Å; K312-A322 VanDerWaalsContact CB-CB 3.43Å; K312-A322 HydrophobicContact CD-CB 4.08Å; K312-A322 WeakPolarHBondContact CD-O 3.46Å; K312-A322 HydrophobicContact CG-CB 4.37Å; K312-F323 CarbonylContact C-O 3.49Å; K312-F323 VanDerWaalsContact C-O 3.28Å; K312-F323 WeakPolarHBondContact CA-O 3.44Å | ||
| 313 | P | 79.8 | Confident | 85.1 | Confident | 74 Ų | 74 | 78.7 Ų | 78.7 | 48% | 0.481 | 40% | 0.399 | S | S | . | . | trans | -65.2 | -20.8 | -171.4 | -21.9 | 34.3 | 0 | 0 | 0 | 113.6 | ||||
| 314 | H | 85.2 | Confident | 85.3 | Confident | 36 Ų | 36 | 76 Ų | 76 | 17% | 0.167 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 95 | -172.2 | -55.2 | -74.2 | 0 | 0 | 0 | 110.9 | K312 A322 F323 R325 S326 L329 | K312-H314 PolarHBondContact O-N 3.2Å; K312-H314 VanDerWaalsContact O-N 3.14Å; H314-A322 CarbonylContact O-C 3.5Å; H314-A322 WeakPolarHBondContact O-CA 3.26Å; H314-F323 HydrophobicContact CB-CB 4.37Å; H314-F323 WeakPolarHBondContact CB-O 3.48Å; H314-F323 PolarHBondContact N-O 3.2Å; H314-F323 PolarHBondContact O-N 3.4Å; H314-R325 VanDerWaalsContact CD2-CA 3.46Å; H314-R325 WeakPolarHBondContact CD2-CA 3.2Å; H314-R325 PolarHBondContact CD2-N 3.26Å; H314-S326 PolarHBondContact CD2-N 3.43Å; H314-S326 PolarHBondContact NE2-N 3.5Å; H314-L329 HydrophobicContact CB-CB 4.14Å; H314-L329 HydrophobicContact CB-CD2 3.87Å |
| 315 | K | 88.7 | Confident | 85.2 | Confident | 148 Ų | 148 | 79.2 Ų | 79.2 | 64% | 0.643 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 141.7 | 178 | -63.3 | -177.5 | -179.2 | 178.4 | 0 | 111.5 | K321 A322 L329 | K315-K321 CarbonylContact C-O 3.59Å; K315-A322 HydrophobicContact CG-CB 3.89Å; K315-L329 WeakPolarHBondContact O-CD2 3.43Å |
| 316 | C | 91.3 | Very high | 85.3 | Confident | 3 Ų | 3 | 79 Ų | 79 | 2% | 0.02 | 41% | 0.413 | C | S | . | . | trans | -84.8 | 122.2 | 170.7 | -179.1 | 0 | 0 | 0 | 0 | 109.4 | Q318 G320 K321 F323 L329 | C316-Q318 PolarHBondContact O-N 3.04Å; C316-G320 WeakPolarHBondContact O-CA 3.43Å; C316-G320 PolarHBondContact O-N 2.67Å; C316-K321 WeakPolarHBondContact CB-O 3.34Å; C316-K321 PolarHBondContact N-O 3.32Å; C316-F323 HydrophobicContact CB-CE2 4.3Å; C316-L329 HydrophobicContact CB-CD1 3.59Å | ||
| 317 | N | 89.1 | Confident | 85.4 | Confident | 164 Ų | 164 | 81.2 Ų | 81.2 | 88% | 0.877 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -24.8 | -178.4 | -62.3 | -6.5 | 0 | 0 | 0 | 112.8 | ||
| 318 | Q | 89.1 | Confident | 85.7 | Confident | 135 Ų | 135 | 80.2 Ų | 80.2 | 63% | 0.631 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -30.5 | -176.2 | -71.2 | 171.5 | -12.8 | 0 | 0 | 113.8 | C316 H336 | C316-Q318 PolarHBondContact O-N 3.04Å; Q318-H336 PolarHBondContact OE1-CD2 3.26Å |
| 319 | C | 91.9 | Very high | 86 | Confident | 51 Ų | 51 | 78.3 Ų | 78.3 | 35% | 0.345 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.4 | 8.4 | -178 | 69.8 | 0 | 0 | 0 | 0 | 114.6 | K321 H332 H336 | C319-K321 PolarHBondContact O-N 3.06Å; C319-H332 PolarHBondContact SG-NE2 3.22Å; C319-H336 PolarHBondContact SG-NE2 3.36Å; C319-H336 VanDerWaalsContact SG-NE2 3.38Å |
| 320 | G | 88.1 | Confident | 86.4 | Confident | 55 Ų | 55 | 79.2 Ų | 79.2 | 57% | 0.567 | 42% | 0.422 | S | S | * | . | trans | 68.3 | -6.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | C316 A322 | C316-G320 WeakPolarHBondContact O-CA 3.43Å; C316-G320 PolarHBondContact O-N 2.67Å; G320-A322 PolarHBondContact O-N 2.96Å | ||
| 321 | K | 90.6 | Very high | 86.9 | Confident | 126 Ų | 126 | 74.1 Ų | 74.1 | 55% | 0.548 | 40% | 0.4 | S | S | . | . | trans | -64.2 | 130 | -176.9 | -73.2 | 179.7 | -178 | 171.5 | 0 | 111.4 | K315 C316 C319 F323 | K315-K321 CarbonylContact C-O 3.59Å; C316-K321 WeakPolarHBondContact CB-O 3.34Å; C316-K321 PolarHBondContact N-O 3.32Å; C319-K321 PolarHBondContact O-N 3.06Å; K321-F323 HydrophobicContact CB-CE2 4Å; K321-F323 HydrophobicContact CB-CZ 4.08Å; K321-F323 WeakPolarHBondContact O-CE2 3.33Å | ||
| 322 | A | 88.8 | Confident | 87.4 | Confident | 30 Ų | 30 | 71.1 Ų | 71.1 | 25% | 0.248 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 143.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K312 H314 K315 G320 | K312-A322 HydrophobicContact CB-CB 3.43Å; K312-A322 VanDerWaalsContact CB-CB 3.43Å; K312-A322 HydrophobicContact CD-CB 4.08Å; K312-A322 WeakPolarHBondContact CD-O 3.46Å; K312-A322 HydrophobicContact CG-CB 4.37Å; H314-A322 CarbonylContact O-C 3.5Å; H314-A322 WeakPolarHBondContact O-CA 3.26Å; K315-A322 HydrophobicContact CG-CB 3.89Å; G320-A322 PolarHBondContact O-N 2.96Å |
| 323 | F | 86.3 | Confident | 87.7 | Confident | 37 Ų | 37 | 67.8 Ų | 67.8 | 16% | 0.162 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 149.1 | -178.6 | -57.5 | -86.9 | 0 | 0 | 0 | 111.2 | K312 H314 C316 K321 R325 T328 L329 H332 | K312-F323 CarbonylContact C-O 3.49Å; K312-F323 VanDerWaalsContact C-O 3.28Å; K312-F323 WeakPolarHBondContact CA-O 3.44Å; H314-F323 HydrophobicContact CB-CB 4.37Å; H314-F323 WeakPolarHBondContact CB-O 3.48Å; H314-F323 PolarHBondContact N-O 3.2Å; H314-F323 PolarHBondContact O-N 3.4Å; C316-F323 HydrophobicContact CB-CE2 4.3Å; K321-F323 HydrophobicContact CB-CE2 4Å; K321-F323 HydrophobicContact CB-CZ 4.08Å; K321-F323 WeakPolarHBondContact O-CE2 3.33Å; F323-R325 VanDerWaalsContact C-N 3.26Å; F323-R325 PolarHBondContact O-N 2.97Å; F323-T328 HydrophobicContact CD1-CG2 3.59Å; F323-T328 HydrophobicContact CE1-CG2 4.17Å; F323-T328 HydrophobicContact CG-CG2 4.34Å; F323-L329 HydrophobicContact CB-CB 4.36Å; F323-L329 HydrophobicContact CD2-CB 3.86Å; F323-L329 HydrophobicContact CD2-CD1 3.72Å; F323-L329 HydrophobicContact CD2-CG 4.38Å; F323-L329 HydrophobicContact CE2-CD1 3.84Å; F323-L329 HydrophobicContact CG-CB 4.3Å; F323-H332 HydrophobicContact CE1-CB 4.13Å; F323-H332 HydrophobicContact CE2-CB 4Å; F323-H332 AromaticContact CE2-CD2 3.35Å; F323-H332 WeakPolarHBondContact CE2-CD2 3.5Å; F323-H332 AromaticContact CE2-CG 3.69Å; F323-H332 AromaticContact CE2-NE2 3.97Å; F323-H332 HydrophobicContact CZ-CB 3.58Å; F323-H332 AromaticContact CZ-CD2 3.37Å; F323-H332 WeakPolarHBondContact CZ-CD2 3.46Å; F323-H332 AromaticContact CZ-CG 3.25Å; F323-H332 AromaticContact CZ-ND1 3.71Å; F323-H332 AromaticContact CZ-NE2 3.84Å |
| 324 | N | 83.8 | Confident | 88.3 | Confident | 57 Ų | 57 | 67 Ų | 67 | 31% | 0.305 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -80.3 | -5 | 176.3 | 62.2 | 12.7 | 0 | 0 | 0 | 113.7 | I306 | I306-N324 HydrophobicContact CG2-CB 3.97Š|
| 325 | R | 83.7 | Confident | 88.6 | Confident | 87 Ų | 87 | 69.8 Ų | 69.8 | 33% | 0.328 | 38% | 0.378 | S | S | . | . | trans | -144.4 | 137.7 | 179.7 | -64.4 | 175.1 | -170.2 | 179.3 | 2.5 | 111.2 | H314 F323 S327 T328 L329 | H314-R325 VanDerWaalsContact CD2-CA 3.46Å; H314-R325 WeakPolarHBondContact CD2-CA 3.2Å; H314-R325 PolarHBondContact CD2-N 3.26Å; F323-R325 VanDerWaalsContact C-N 3.26Å; F323-R325 PolarHBondContact O-N 2.97Å; R325-S327 VanDerWaalsContact C-N 3.3Å; R325-S327 PolarHBondContact O-N 2.81Å; R325-T328 PolarHBondContact O-N 3.39Å; R325-T328 VanDerWaalsContact O-N 3.15Å; R325-L329 PolarHBondContact O-N 2.77Å; R325-L329 VanDerWaalsContact O-N 3.13Å | ||
| 326 | S | 83.8 | Confident | 88.6 | Confident | 77 Ų | 77 | 66.5 Ų | 66.5 | 54% | 0.538 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59 | -39.3 | 173.4 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | H314 T328 L329 N330 | H314-S326 PolarHBondContact CD2-N 3.43Å; H314-S326 PolarHBondContact NE2-N 3.5Å; S326-T328 VanDerWaalsContact C-N 3.27Å; S326-T328 PolarHBondContact O-N 2.81Å; S326-L329 WeakPolarHBondContact O-CB 3.24Å; S326-L329 PolarHBondContact O-N 3.27Å; S326-N330 PolarHBondContact O-N 2.98Å |
| 327 | S | 85.9 | Confident | 88.5 | Confident | 70 Ų | 70 | 70.1 Ų | 70.1 | 49% | 0.49 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60 | -38.3 | 176.7 | 62.8 | 0 | 0 | 0 | 0 | 112.3 | R325 N330 T331 | R325-S327 VanDerWaalsContact C-N 3.3Å; R325-S327 PolarHBondContact O-N 2.81Å; S327-N330 PolarHBondContact O-N 2.94Å; S327-T331 WeakPolarHBondContact O-CG2 3.48Å; S327-T331 PolarHBondContact O-N 3.36Å; S327-T331 PolarHBondContact O-OG1 3.2Å |
| 328 | T | 88.9 | Confident | 88.4 | Confident | 49 Ų | 49 | 64.5 Ų | 64.5 | 30% | 0.301 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -71.2 | -43.1 | 179.1 | -50.7 | 0 | 0 | 0 | 0 | 110.3 | F323 R325 S326 N330 T331 H332 | F323-T328 HydrophobicContact CD1-CG2 3.59Å; F323-T328 HydrophobicContact CE1-CG2 4.17Å; F323-T328 HydrophobicContact CG-CG2 4.34Å; R325-T328 PolarHBondContact O-N 3.39Å; R325-T328 VanDerWaalsContact O-N 3.15Å; S326-T328 VanDerWaalsContact C-N 3.27Å; S326-T328 PolarHBondContact O-N 2.81Å; T328-N330 VanDerWaalsContact C-N 3.33Å; T328-N330 PolarHBondContact O-N 3.47Å; T328-T331 WeakPolarHBondContact CA-OG1 3.26Å; T328-T331 PolarHBondContact O-N 2.95Å; T328-T331 PolarHBondContact O-OG1 2.96Å; T328-H332 WeakPolarHBondContact O-CB 3.5Å; T328-H332 PolarHBondContact O-N 3.41Å |
| 329 | L | 90.3 | Very high | 88.5 | Confident | 32 Ų | 32 | 64.6 Ų | 64.6 | 17% | 0.168 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.3 | -47.3 | 171.7 | 173.1 | 61.9 | 0 | 0 | 0 | 111 | H314 K315 C316 F323 R325 S326 T331 H332 T333 | H314-L329 HydrophobicContact CB-CB 4.14Å; H314-L329 HydrophobicContact CB-CD2 3.87Å; K315-L329 WeakPolarHBondContact O-CD2 3.43Å; C316-L329 HydrophobicContact CB-CD1 3.59Å; F323-L329 HydrophobicContact CB-CB 4.36Å; F323-L329 HydrophobicContact CD2-CB 3.86Å; F323-L329 HydrophobicContact CD2-CD1 3.72Å; F323-L329 HydrophobicContact CD2-CG 4.38Å; F323-L329 HydrophobicContact CE2-CD1 3.84Å; F323-L329 HydrophobicContact CG-CB 4.3Å; R325-L329 PolarHBondContact O-N 2.77Å; R325-L329 VanDerWaalsContact O-N 3.13Å; S326-L329 WeakPolarHBondContact O-CB 3.24Å; S326-L329 PolarHBondContact O-N 3.27Å; L329-T331 VanDerWaalsContact C-N 3.32Å; L329-T331 PolarHBondContact O-N 3.49Å; L329-H332 CarbonylContact O-C 3.5Å; L329-H332 WeakPolarHBondContact O-CA 3.15Å; L329-H332 WeakPolarHBondContact O-CB 3.45Å; L329-H332 PolarHBondContact O-N 2.79Å; L329-T333 HydrophobicContact CD1-CG2 4.12Å; L329-T333 HydrophobicContact CG-CG2 4.45Å; L329-T333 WeakPolarHBondContact O-CG2 3.45Å; L329-T333 PolarHBondContact O-N 3.12Å; L329-T333 PolarHBondContact O-OG1 3.26Å |
| 330 | N | 87.7 | Confident | 88.5 | Confident | 92 Ų | 92 | 67.1 Ų | 67.1 | 49% | 0.492 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.7 | -34.6 | 178.8 | -172 | 44.1 | 0 | 0 | 0 | 113.2 | S326 S327 T328 H332 T333 R334 | S326-N330 PolarHBondContact O-N 2.98Å; S327-N330 PolarHBondContact O-N 2.94Å; T328-N330 VanDerWaalsContact C-N 3.33Å; T328-N330 PolarHBondContact O-N 3.47Å; N330-H332 VanDerWaalsContact C-N 3.29Å; N330-T333 PolarHBondContact O-OG1 3.5Å; N330-R334 WeakPolarHBondContact O-CG 3.4Å |
| 331 | T | 89.2 | Confident | 88.6 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 19% | 0.19 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71.4 | -28.5 | 172 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | S327 T328 L329 Q353 | S327-T331 WeakPolarHBondContact O-CG2 3.48Å; S327-T331 PolarHBondContact O-N 3.36Å; S327-T331 PolarHBondContact O-OG1 3.2Å; T328-T331 WeakPolarHBondContact CA-OG1 3.26Å; T328-T331 PolarHBondContact O-N 2.95Å; T328-T331 PolarHBondContact O-OG1 2.96Å; L329-T331 VanDerWaalsContact C-N 3.32Å; L329-T331 PolarHBondContact O-N 3.49Å; T331-Q353 HydrophobicContact CG2-CG 4.48Å |
| 332 | H | 91.3 | Very high | 88.8 | Confident | 22 Ų | 22 | 63.4 Ų | 63.4 | 10% | 0.102 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75.1 | -40.2 | 178.3 | 169.2 | 70 | 0 | 0 | 0 | 112 | C319 F323 T328 L329 N330 R334 I335 H336 | C319-H332 PolarHBondContact SG-NE2 3.22Å; F323-H332 HydrophobicContact CE1-CB 4.13Å; F323-H332 HydrophobicContact CE2-CB 4Å; F323-H332 AromaticContact CE2-CD2 3.35Å; F323-H332 WeakPolarHBondContact CE2-CD2 3.5Å; F323-H332 AromaticContact CE2-CG 3.69Å; F323-H332 AromaticContact CE2-NE2 3.97Å; F323-H332 HydrophobicContact CZ-CB 3.58Å; F323-H332 AromaticContact CZ-CD2 3.37Å; F323-H332 WeakPolarHBondContact CZ-CD2 3.46Å; F323-H332 AromaticContact CZ-CG 3.25Å; F323-H332 AromaticContact CZ-ND1 3.71Å; F323-H332 AromaticContact CZ-NE2 3.84Å; T328-H332 WeakPolarHBondContact O-CB 3.5Å; T328-H332 PolarHBondContact O-N 3.41Å; L329-H332 CarbonylContact O-C 3.5Å; L329-H332 WeakPolarHBondContact O-CA 3.15Å; L329-H332 WeakPolarHBondContact O-CB 3.45Å; L329-H332 PolarHBondContact O-N 2.79Å; N330-H332 VanDerWaalsContact C-N 3.29Å; H332-R334 PolarHBondContact O-N 3.2Å; H332-R334 VanDerWaalsContact O-N 3.16Å; H332-I335 WeakPolarHBondContact O-CB 3.49Å; H332-I335 WeakPolarHBondContact O-CG1 3.38Å; H332-I335 PolarHBondContact O-N 3.35Å; H332-H336 AromaticContact CE1-NE2 3.78Å; H332-H336 AromaticContact NE2-NE2 3.35Å; H332-H336 PolarHBondContact NE2-NE2 3Å |
| 333 | T | 89.2 | Confident | 89 | Confident | 47 Ų | 47 | 66.8 Ų | 66.8 | 29% | 0.288 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.8 | -27.5 | 177.4 | 52.4 | 0 | 0 | 0 | 0 | 112.8 | L329 N330 I335 H336 A337 | L329-T333 HydrophobicContact CD1-CG2 4.12Å; L329-T333 HydrophobicContact CG-CG2 4.45Å; L329-T333 WeakPolarHBondContact O-CG2 3.45Å; L329-T333 PolarHBondContact O-N 3.12Å; L329-T333 PolarHBondContact O-OG1 3.26Å; N330-T333 PolarHBondContact O-OG1 3.5Å; T333-I335 PolarHBondContact O-N 3.5Å; T333-H336 PolarHBondContact O-N 2.85Å; T333-H336 VanDerWaalsContact O-N 3.14Å; T333-A337 PolarHBondContact O-N 3.44Å; T333-A337 VanDerWaalsContact O-N 3.17Å |
| 334 | R | 91.5 | Very high | 89.4 | Confident | 59 Ų | 59 | 65 Ų | 65 | 22% | 0.223 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.8 | -25.5 | 172.1 | -62 | 176.3 | -167.1 | 176.5 | -4.2 | 113.8 | N330 H332 G338 Y339 H352 | N330-R334 WeakPolarHBondContact O-CG 3.4Å; H332-R334 PolarHBondContact O-N 3.2Å; H332-R334 VanDerWaalsContact O-N 3.16Å; R334-G338 CarbonylContact O-C 3.49Å; R334-G338 PolarHBondContact O-N 3.18Å; R334-Y339 HydrophobicContact CG-CD1 4.25Å; R334-Y339 PolarHBondContact O-N 3.44Å; R334-H352 HydrophobicContact CB-CB 4.42Å; R334-H352 PolarHBondContact NH1-O 3.06Å; R334-H352 PolarHBondContact O-CE1 3.09Å; R334-H352 PolarHBondContact O-ND1 3.24Å |
| 335 | I | 90.9 | Very high | 89.7 | Confident | 94 Ų | 94 | 70 Ų | 70 | 48% | 0.482 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.9 | -45.1 | 177.5 | -59.8 | 173.1 | 0 | 0 | 0 | 109.2 | H332 T333 G338 | H332-I335 WeakPolarHBondContact O-CB 3.49Å; H332-I335 WeakPolarHBondContact O-CG1 3.38Å; H332-I335 PolarHBondContact O-N 3.35Å; T333-I335 PolarHBondContact O-N 3.5Å; I335-G338 PolarHBondContact O-N 3.48Å; I335-G338 VanDerWaalsContact O-N 3.16Å |
| 336 | H | 89.6 | Confident | 90 | Very high | 79 Ų | 79 | 72.6 Ų | 72.6 | 37% | 0.366 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.8 | -38.3 | 178.3 | -63.5 | -62 | 0 | 0 | 0 | 112.5 | Q318 C319 H332 T333 G338 | Q318-H336 PolarHBondContact OE1-CD2 3.26Å; C319-H336 PolarHBondContact SG-NE2 3.36Å; C319-H336 VanDerWaalsContact SG-NE2 3.38Å; H332-H336 AromaticContact CE1-NE2 3.78Å; H332-H336 AromaticContact NE2-NE2 3.35Å; H332-H336 PolarHBondContact NE2-NE2 3Å; T333-H336 PolarHBondContact O-N 2.85Å; T333-H336 VanDerWaalsContact O-N 3.14Å; H336-G338 PolarHBondContact O-N 3.14Å |
| 337 | A | 88 | Confident | 90.4 | Very high | 79 Ų | 79 | 72 Ų | 72 | 65% | 0.653 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -4.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T333 Y339 | T333-A337 PolarHBondContact O-N 3.44Å; T333-A337 VanDerWaalsContact O-N 3.17Å; A337-Y339 PolarHBondContact O-N 3.45Å |
| 338 | G | 88.2 | Confident | 90.7 | Very high | 46 Ų | 46 | 71.3 Ų | 71.3 | 47% | 0.474 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 3.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R334 I335 H336 K340 | R334-G338 CarbonylContact O-C 3.49Å; R334-G338 PolarHBondContact O-N 3.18Å; I335-G338 PolarHBondContact O-N 3.48Å; I335-G338 VanDerWaalsContact O-N 3.16Å; H336-G338 PolarHBondContact O-N 3.14Å; G338-K340 PolarHBondContact O-N 2.75Å |
| 339 | Y | 90.4 | Very high | 90.9 | Very high | 137 Ų | 137 | 74.8 Ų | 74.8 | 54% | 0.537 | 40% | 0.4 | S | S | . | . | trans | -73.6 | 115 | -169.7 | -179.7 | -118.4 | 0 | 0 | 0 | 112.4 | R334 A337 P341 H352 | R334-Y339 HydrophobicContact CG-CD1 4.25Å; R334-Y339 PolarHBondContact O-N 3.44Å; A337-Y339 PolarHBondContact O-N 3.45Å; Y339-P341 HydrophobicContact CD1-CG 4.28Å; Y339-P341 HydrophobicContact CE1-CB 3.78Å; Y339-P341 HydrophobicContact CE1-CG 3.86Å; Y339-P341 VanDerWaalsContact O-CD 3.28Å; Y339-P341 WeakPolarHBondContact O-CD 3.28Å; Y339-H352 PolarHBondContact O-CE1 2.77Å; Y339-H352 PolarHBondContact O-ND1 3.41Å | ||
| 340 | K | 91.9 | Very high | 91 | Very high | 104 Ų | 104 | 74.2 Ų | 74.2 | 45% | 0.452 | 40% | 0.402 | S | S | . | . | trans | -116.9 | 82.1 | -176 | -70.4 | 167.3 | -175.3 | 174.8 | 0 | 110.9 | G338 F342 F351 H352 | G338-K340 PolarHBondContact O-N 2.75Å; K340-F342 PolarHBondContact O-N 3.34Å; K340-F342 VanDerWaalsContact O-N 3.12Å; K340-F351 CarbonylContact C-O 3.48Å; K340-H352 VanDerWaalsContact CG-CE1 3.44Å; K340-H352 WeakPolarHBondContact CG-CE1 3.28Å | ||
| 341 | P | 90.2 | Very high | 91.2 | Very high | 46 Ų | 46 | 71.3 Ų | 71.3 | 30% | 0.299 | 39% | 0.385 | S | S | . | . | trans | -66.9 | -15 | -174 | 23.6 | -32.6 | 0 | 0 | 0 | 114.6 | Y339 | Y339-P341 HydrophobicContact CD1-CG 4.28Å; Y339-P341 HydrophobicContact CE1-CB 3.78Å; Y339-P341 HydrophobicContact CE1-CG 3.86Å; Y339-P341 VanDerWaalsContact O-CD 3.28Å; Y339-P341 WeakPolarHBondContact O-CD 3.28Å | ||
| 342 | F | 94.3 | Very high | 91.2 | Very high | 56 Ų | 56 | 71.9 Ų | 71.9 | 25% | 0.246 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 103.3 | -177.2 | -52.2 | -72.9 | 0 | 0 | 0 | 109.9 | K340 G350 F351 K354 Y357 | K340-F342 PolarHBondContact O-N 3.34Å; K340-F342 VanDerWaalsContact O-N 3.12Å; F342-G350 CarbonylContact O-C 3.59Å; F342-G350 WeakPolarHBondContact O-CA 3.44Å; F342-F351 HydrophobicContact CB-CB 4.31Å; F342-F351 PolarHBondContact N-O 3.18Å; F342-F351 PolarHBondContact O-N 3.38Å; F342-K354 HydrophobicContact CD1-CB 4.32Å; F342-K354 HydrophobicContact CD1-CG 4.44Å; F342-K354 HydrophobicContact CD2-CB 4.4Å; F342-K354 HydrophobicContact CE1-CB 3.86Å; F342-K354 HydrophobicContact CE1-CD 4.36Å; F342-K354 HydrophobicContact CE1-CG 4.09Å; F342-K354 HydrophobicContact CE2-CB 3.95Å; F342-K354 HydrophobicContact CZ-CB 3.67Å; F342-K354 HydrophobicContact CZ-CG 4.39Å; F342-Y357 HydrophobicContact CB-CD1 4.31Å; F342-Y357 HydrophobicContact CB-CD2 4.01Å; F342-Y357 HydrophobicContact CB-CG 3.73Å |
| 343 | I | 93.8 | Very high | 91.2 | Very high | 102 Ų | 102 | 74.7 Ų | 74.7 | 52% | 0.523 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 133 | -178.3 | -56.8 | 175.3 | 0 | 0 | 0 | 109.3 | E345 Y357 | I343-E345 PolarHBondContact O-N 3.47Å; I343-Y357 WeakPolarHBondContact O-CE2 3.2Å |
| 344 | C | 94 | Very high | 91.2 | Very high | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 41% | 0.411 | C | S | . | . | trans | -74.5 | 118.1 | 172.4 | -167.9 | 0 | 0 | 0 | 0 | 110.6 | F346 C347 G348 K349 F351 Y357 H360 H364 | C344-F346 VanDerWaalsContact C-N 3.26Å; C344-F346 PolarHBondContact O-N 2.85Å; C344-C347 VanDerWaalsContact SG-SG 3.68Å; C344-G348 WeakPolarHBondContact O-CA 3.45Å; C344-G348 PolarHBondContact O-N 3.25Å; C344-K349 HydrophobicContact CB-CB 4.43Å; C344-K349 WeakPolarHBondContact CB-O 3.4Å; C344-K349 PolarHBondContact N-O 3.15Å; C344-F351 HydrophobicContact CB-CE2 4.45Å; C344-Y357 HydrophobicContact CB-CE2 4.48Å; C344-H360 PolarHBondContact SG-NE2 2.63Å; C344-H360 VanDerWaalsContact SG-NE2 3.37Å; C344-H364 VanDerWaalsContact SG-CD2 3.58Å; C344-H364 PolarHBondContact SG-NE2 3.12Å | ||
| 345 | E | 91.9 | Very high | 91.1 | Very high | 160 Ų | 160 | 77.5 Ų | 77.5 | 75% | 0.748 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -28.2 | 179.3 | -66.1 | 165.3 | 168.1 | 0 | 0 | 112 | I343 | I343-E345 PolarHBondContact O-N 3.47Š|
| 346 | F | 88.9 | Confident | 91 | Very high | 143 Ų | 143 | 77 Ų | 77 | 63% | 0.627 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -29 | -178.5 | -60.3 | -73 | 0 | 0 | 0 | 114.2 | C344 H364 | C344-F346 VanDerWaalsContact C-N 3.26Å; C344-F346 PolarHBondContact O-N 2.85Å; F346-H364 HydrophobicContact CD2-CB 4.36Å |
| 347 | C | 92.8 | Very high | 91.2 | Very high | 63 Ų | 63 | 75 Ų | 75 | 43% | 0.426 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.8 | 9 | -174.3 | 71 | 0 | 0 | 0 | 0 | 115 | C344 K349 H360 H364 | C344-C347 VanDerWaalsContact SG-SG 3.68Å; C347-K349 PolarHBondContact O-N 3.25Å; C347-H360 PolarHBondContact SG-NE2 3.4Å; C347-H364 PolarHBondContact SG-NE2 3.13Å |
| 348 | G | 90.9 | Very high | 91.2 | Very high | 56 Ų | 56 | 77 Ų | 77 | 58% | 0.577 | 40% | 0.401 | S | S | * | . | trans | 68.3 | -2.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | C344 G350 | C344-G348 WeakPolarHBondContact O-CA 3.45Å; C344-G348 PolarHBondContact O-N 3.25Å; G348-G350 PolarHBondContact O-N 3.4Å | ||
| 349 | K | 93.4 | Very high | 91.1 | Very high | 123 Ų | 123 | 77.5 Ų | 77.5 | 54% | 0.535 | 39% | 0.393 | S | S | . | . | trans | -70.6 | 123.1 | -174.1 | -166.1 | 168.2 | -175.5 | 168.9 | 0 | 112 | C344 C347 F351 | C344-K349 HydrophobicContact CB-CB 4.43Å; C344-K349 WeakPolarHBondContact CB-O 3.4Å; C344-K349 PolarHBondContact N-O 3.15Å; C347-K349 PolarHBondContact O-N 3.25Å; K349-F351 HydrophobicContact CB-CE2 4.08Å; K349-F351 HydrophobicContact CB-CZ 4.31Å; K349-F351 HydrophobicContact CD-CZ 3.91Å; K349-F351 HydrophobicContact CG-CE2 3.99Å; K349-F351 HydrophobicContact CG-CZ 3.85Å; K349-F351 WeakPolarHBondContact O-CD2 3.26Å; K349-F351 WeakPolarHBondContact O-CE2 3.47Å | ||
| 350 | G | 92.9 | Very high | 91.1 | Very high | 20 Ų | 20 | 72.3 Ų | 72.3 | 21% | 0.206 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 146.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F342 G348 | F342-G350 CarbonylContact O-C 3.59Å; F342-G350 WeakPolarHBondContact O-CA 3.44Å; G348-G350 PolarHBondContact O-N 3.4Å |
| 351 | F | 92.1 | Very high | 90.9 | Very high | 30 Ų | 30 | 70.8 Ų | 70.8 | 13% | 0.132 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 144.4 | -179.4 | -58.9 | -93.5 | 0 | 0 | 0 | 112.1 | K340 F342 C344 K349 N356 Y357 H360 | K340-F351 CarbonylContact C-O 3.48Å; F342-F351 HydrophobicContact CB-CB 4.31Å; F342-F351 PolarHBondContact N-O 3.18Å; F342-F351 PolarHBondContact O-N 3.38Å; C344-F351 HydrophobicContact CB-CE2 4.45Å; K349-F351 HydrophobicContact CB-CE2 4.08Å; K349-F351 HydrophobicContact CB-CZ 4.31Å; K349-F351 HydrophobicContact CD-CZ 3.91Å; K349-F351 HydrophobicContact CG-CE2 3.99Å; K349-F351 HydrophobicContact CG-CZ 3.85Å; K349-F351 WeakPolarHBondContact O-CD2 3.26Å; K349-F351 WeakPolarHBondContact O-CE2 3.47Å; F351-N356 HydrophobicContact CD1-CB 4Å; F351-Y357 HydrophobicContact CD2-CD2 4.06Å; F351-H360 HydrophobicContact CE1-CB 3.88Å; F351-H360 HydrophobicContact CE2-CB 3.92Å; F351-H360 AromaticContact CE2-CD2 3.29Å; F351-H360 WeakPolarHBondContact CE2-CD2 3.16Å; F351-H360 AromaticContact CE2-CG 3.66Å; F351-H360 HydrophobicContact CZ-CB 3.38Å; F351-H360 AromaticContact CZ-CD2 3.32Å; F351-H360 WeakPolarHBondContact CZ-CD2 3.09Å; F351-H360 AromaticContact CZ-CG 3.19Å; F351-H360 AromaticContact CZ-ND1 3.85Å; F351-H360 AromaticContact CZ-NE2 4Å |
| 352 | H | 89.6 | Confident | 90.7 | Very high | 43 Ų | 43 | 69.9 Ų | 69.9 | 20% | 0.199 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -78.2 | -19.6 | 176.9 | -57.7 | -67.8 | 0 | 0 | 0 | 113.7 | R334 Y339 K340 | R334-H352 HydrophobicContact CB-CB 4.42Å; R334-H352 PolarHBondContact NH1-O 3.06Å; R334-H352 PolarHBondContact O-CE1 3.09Å; R334-H352 PolarHBondContact O-ND1 3.24Å; Y339-H352 PolarHBondContact O-CE1 2.77Å; Y339-H352 PolarHBondContact O-ND1 3.41Å; K340-H352 VanDerWaalsContact CG-CE1 3.44Å; K340-H352 WeakPolarHBondContact CG-CE1 3.28Å |
| 353 | Q | 90.1 | Very high | 90.3 | Very high | 81 Ų | 81 | 70.8 Ų | 70.8 | 38% | 0.379 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -132.2 | 139.9 | -174.4 | -63.1 | -175 | 9.5 | 0 | 0 | 112.2 | T331 G355 N356 Y357 | T331-Q353 HydrophobicContact CG2-CG 4.48Å; Q353-G355 VanDerWaalsContact C-N 3.35Å; Q353-G355 PolarHBondContact O-N 2.76Å; Q353-N356 PolarHBondContact O-N 3.45Å; Q353-Y357 PolarHBondContact O-N 3.24Å; Q353-Y357 VanDerWaalsContact O-N 3.16Å |
| 354 | K | 90.3 | Very high | 89.9 | Confident | 127 Ų | 127 | 69.7 Ų | 69.7 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.2 | -36.9 | -178.9 | -171.2 | 174.1 | -177.5 | 173 | 0 | 113.1 | F342 Y357 K358 | F342-K354 HydrophobicContact CD1-CB 4.32Å; F342-K354 HydrophobicContact CD1-CG 4.44Å; F342-K354 HydrophobicContact CD2-CB 4.4Å; F342-K354 HydrophobicContact CE1-CB 3.86Å; F342-K354 HydrophobicContact CE1-CD 4.36Å; F342-K354 HydrophobicContact CE1-CG 4.09Å; F342-K354 HydrophobicContact CE2-CB 3.95Å; F342-K354 HydrophobicContact CZ-CB 3.67Å; F342-K354 HydrophobicContact CZ-CG 4.39Å; K354-Y357 PolarHBondContact O-N 3.02Å; K354-K358 WeakPolarHBondContact O-CG 3.38Å; K354-K358 PolarHBondContact O-N 3.16Å |
| 355 | G | 88.2 | Confident | 89.3 | Confident | 38 Ų | 38 | 72.7 Ų | 72.7 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q353 Y357 K358 N359 | Q353-G355 VanDerWaalsContact C-N 3.35Å; Q353-G355 PolarHBondContact O-N 2.76Å; G355-Y357 VanDerWaalsContact C-N 3.33Å; G355-Y357 PolarHBondContact O-N 3.4Å; G355-K358 PolarHBondContact O-N 3.23Å; G355-N359 PolarHBondContact O-N 2.98Å; G355-N359 PolarHBondContact O-OD1 2.99Å |
| 356 | N | 89.8 | Confident | 88.5 | Confident | 84 Ų | 84 | 67.2 Ų | 67.2 | 45% | 0.449 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 177.3 | -63.5 | -2.1 | 0 | 0 | 0 | 111.6 | F351 Q353 N359 H360 | F351-N356 HydrophobicContact CD1-CB 4Å; Q353-N356 PolarHBondContact O-N 3.45Å; N356-N359 PolarHBondContact O-N 3.35Å; N356-H360 WeakPolarHBondContact O-CB 3.41Å; N356-H360 PolarHBondContact O-N 2.95Å |
| 357 | Y | 92.6 | Very high | 87.9 | Confident | 36 Ų | 36 | 65.4 Ų | 65.4 | 14% | 0.141 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 173 | 166.7 | -103.7 | 0 | 0 | 0 | 112.4 | F342 I343 C344 F351 Q353 K354 G355 N359 H360 K361 | F342-Y357 HydrophobicContact CB-CD1 4.31Å; F342-Y357 HydrophobicContact CB-CD2 4.01Å; F342-Y357 HydrophobicContact CB-CG 3.73Å; I343-Y357 WeakPolarHBondContact O-CE2 3.2Å; C344-Y357 HydrophobicContact CB-CE2 4.48Å; F351-Y357 HydrophobicContact CD2-CD2 4.06Å; Q353-Y357 PolarHBondContact O-N 3.24Å; Q353-Y357 VanDerWaalsContact O-N 3.16Å; K354-Y357 PolarHBondContact O-N 3.02Å; G355-Y357 VanDerWaalsContact C-N 3.33Å; G355-Y357 PolarHBondContact O-N 3.4Å; Y357-N359 PolarHBondContact O-N 3.07Å; Y357-H360 WeakPolarHBondContact O-CB 3.46Å; Y357-H360 PolarHBondContact O-N 2.87Å; Y357-K361 HydrophobicContact CE1-CD 3.78Å; Y357-K361 HydrophobicContact CE1-CG 4.28Å; Y357-K361 HydrophobicContact CE2-CD 4.21Å; Y357-K361 HydrophobicContact CE2-CG 4.11Å; Y357-K361 PolarHBondContact O-N 2.94Å |
| 358 | K | 89.3 | Confident | 87.3 | Confident | 122 Ų | 122 | 67.5 Ų | 67.5 | 53% | 0.53 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.9 | -47.6 | 176.8 | -77.5 | -171.6 | 173.6 | -163.7 | 0 | 111.9 | K354 G355 H360 K361 L362 | K354-K358 WeakPolarHBondContact O-CG 3.38Å; K354-K358 PolarHBondContact O-N 3.16Å; G355-K358 PolarHBondContact O-N 3.23Å; K358-H360 PolarHBondContact O-N 3.38Å; K358-K361 PolarHBondContact O-N 2.91Å; K358-K361 VanDerWaalsContact O-N 3.15Å; K358-L362 PolarHBondContact O-N 2.91Å |
| 359 | N | 86.3 | Confident | 86.8 | Confident | 56 Ų | 56 | 70.6 Ų | 70.6 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.9 | -33.5 | 178.7 | -68.5 | 2.4 | 0 | 0 | 0 | 111.7 | G355 N356 Y357 L362 Q381 | G355-N359 PolarHBondContact O-N 2.98Å; G355-N359 PolarHBondContact O-OD1 2.99Å; N356-N359 PolarHBondContact O-N 3.35Å; Y357-N359 PolarHBondContact O-N 3.07Å; N359-L362 WeakPolarHBondContact O-CB 3.47Å; N359-L362 PolarHBondContact O-N 3.4Å; N359-Q381 PolarHBondContact ND2-OE1 3.01Å |
| 360 | H | 89.6 | Confident | 86.5 | Confident | 28 Ų | 28 | 67.7 Ų | 67.7 | 13% | 0.13 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.5 | -40.2 | 173.2 | 171.9 | 62 | 0 | 0 | 0 | 112.5 | C344 C347 F351 N356 Y357 K358 L362 T363 H364 | C344-H360 PolarHBondContact SG-NE2 2.63Å; C344-H360 VanDerWaalsContact SG-NE2 3.37Å; C347-H360 PolarHBondContact SG-NE2 3.4Å; F351-H360 HydrophobicContact CE1-CB 3.88Å; F351-H360 HydrophobicContact CE2-CB 3.92Å; F351-H360 AromaticContact CE2-CD2 3.29Å; F351-H360 WeakPolarHBondContact CE2-CD2 3.16Å; F351-H360 AromaticContact CE2-CG 3.66Å; F351-H360 HydrophobicContact CZ-CB 3.38Å; F351-H360 AromaticContact CZ-CD2 3.32Å; F351-H360 WeakPolarHBondContact CZ-CD2 3.09Å; F351-H360 AromaticContact CZ-CG 3.19Å; F351-H360 AromaticContact CZ-ND1 3.85Å; F351-H360 AromaticContact CZ-NE2 4Å; N356-H360 WeakPolarHBondContact O-CB 3.41Å; N356-H360 PolarHBondContact O-N 2.95Å; Y357-H360 WeakPolarHBondContact O-CB 3.46Å; Y357-H360 PolarHBondContact O-N 2.87Å; K358-H360 PolarHBondContact O-N 3.38Å; H360-L362 PolarHBondContact O-N 2.92Å; H360-L362 VanDerWaalsContact O-N 3.15Å; H360-T363 WeakPolarHBondContact O-CB 3.43Å; H360-T363 PolarHBondContact O-N 2.76Å; H360-T363 PolarHBondContact O-OG1 3.37Å; H360-H364 AromaticContact CE1-NE2 3.4Å; H360-H364 PolarHBondContact CE1-NE2 3.29Å; H360-H364 AromaticContact NE2-CD2 3.82Å; H360-H364 AromaticContact NE2-NE2 3.19Å; H360-H364 PolarHBondContact NE2-NE2 3.36Å; H360-H364 VanDerWaalsContact NE2-NE2 3.19Å |
| 361 | K | 88.6 | Confident | 86.3 | Confident | 72 Ų | 72 | 73.8 Ų | 73.8 | 31% | 0.313 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.4 | -33.5 | 176.3 | -69.3 | -166.1 | 83.2 | 162.3 | 0 | 112.4 | Y357 K358 T363 H364 S365 | Y357-K361 HydrophobicContact CE1-CD 3.78Å; Y357-K361 HydrophobicContact CE1-CG 4.28Å; Y357-K361 HydrophobicContact CE2-CD 4.21Å; Y357-K361 HydrophobicContact CE2-CG 4.11Å; Y357-K361 PolarHBondContact O-N 2.94Å; K358-K361 PolarHBondContact O-N 2.91Å; K358-K361 VanDerWaalsContact O-N 3.15Å; K361-T363 PolarHBondContact O-N 3.45Å; K361-H364 PolarHBondContact O-N 3.16Å; K361-S365 PolarHBondContact O-N 3.19Å |
| 362 | L | 86.3 | Confident | 86.2 | Confident | 28 Ų | 28 | 72.4 Ų | 72.4 | 15% | 0.147 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.8 | -21.4 | 176.9 | -60 | 175.6 | 0 | 0 | 0 | 113.4 | K358 N359 H360 H364 S365 G366 E367 H380 | K358-L362 PolarHBondContact O-N 2.91Å; N359-L362 WeakPolarHBondContact O-CB 3.47Å; N359-L362 PolarHBondContact O-N 3.4Å; H360-L362 PolarHBondContact O-N 2.92Å; H360-L362 VanDerWaalsContact O-N 3.15Å; L362-H364 VanDerWaalsContact C-N 3.28Å; L362-S365 PolarHBondContact O-OG 3.19Å; L362-G366 PolarHBondContact O-N 2.86Å; L362-E367 HydrophobicContact CD2-CB 4.26Å; L362-H380 HydrophobicContact CB-CB 4.45Å; L362-H380 PolarHBondContact O-CE1 3.43Å; L362-H380 PolarHBondContact O-ND1 2.86Å |
| 363 | T | 85.1 | Confident | 86.2 | Confident | 74 Ų | 74 | 76.7 Ų | 76.7 | 45% | 0.454 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -73.7 | -23.7 | 175.5 | 69.6 | 0 | 0 | 0 | 0 | 112.3 | H360 K361 | H360-T363 WeakPolarHBondContact O-CB 3.43Å; H360-T363 PolarHBondContact O-N 2.76Å; H360-T363 PolarHBondContact O-OG1 3.37Å; K361-T363 PolarHBondContact O-N 3.45Å |
| 364 | H | 85.1 | Confident | 86.2 | Confident | 80 Ų | 80 | 77.3 Ų | 77.3 | 37% | 0.37 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -85.3 | -37.8 | 176.8 | -66.2 | -59.2 | 0 | 0 | 0 | 112.2 | C344 F346 C347 H360 K361 L362 G366 | C344-H364 VanDerWaalsContact SG-CD2 3.58Å; C344-H364 PolarHBondContact SG-NE2 3.12Å; F346-H364 HydrophobicContact CD2-CB 4.36Å; C347-H364 PolarHBondContact SG-NE2 3.13Å; H360-H364 AromaticContact CE1-NE2 3.4Å; H360-H364 PolarHBondContact CE1-NE2 3.29Å; H360-H364 AromaticContact NE2-CD2 3.82Å; H360-H364 AromaticContact NE2-NE2 3.19Å; H360-H364 PolarHBondContact NE2-NE2 3.36Å; H360-H364 VanDerWaalsContact NE2-NE2 3.19Å; K361-H364 PolarHBondContact O-N 3.16Å; L362-H364 VanDerWaalsContact C-N 3.28Å; H364-G366 VanDerWaalsContact C-N 3.26Å; H364-G366 PolarHBondContact O-N 3Å |
| 365 | S | 80.6 | Confident | 86.2 | Confident | 62 Ų | 62 | 73.6 Ų | 73.6 | 43% | 0.434 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -76.4 | -13.1 | 177.2 | 62.5 | 0 | 0 | 0 | 0 | 113.7 | K361 L362 E367 | K361-S365 PolarHBondContact O-N 3.19Å; L362-S365 PolarHBondContact O-OG 3.19Å; S365-E367 PolarHBondContact O-N 3.35Å; S365-E367 VanDerWaalsContact O-N 3.11Å; S365-E367 WeakPolarHBondContact OG-CB 3.5Å; S365-E367 WeakPolarHBondContact OG-CG 3.37Å; S365-E367 PolarHBondContact OG-N 3.05Å |
| 366 | G | 75.8 | Confident | 86.1 | Confident | 45 Ų | 45 | 77.7 Ų | 77.7 | 46% | 0.464 | 40% | 0.398 | S | S | . | . | trans | 69.2 | 1.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L362 H364 K368 | L362-G366 PolarHBondContact O-N 2.86Å; H364-G366 VanDerWaalsContact C-N 3.26Å; H364-G366 PolarHBondContact O-N 3Å; G366-K368 PolarHBondContact O-N 3.24Å | ||
| 367 | E | 76.3 | Confident | 86 | Confident | 105 Ų | 105 | 79.9 Ų | 79.9 | 49% | 0.491 | 40% | 0.404 | S | S | . | . | trans | -64.7 | 106.8 | -178.4 | -75 | 175.7 | -146.1 | 0 | 0 | 111.1 | L362 S365 H380 | L362-E367 HydrophobicContact CD2-CB 4.26Å; S365-E367 PolarHBondContact O-N 3.35Å; S365-E367 VanDerWaalsContact O-N 3.11Å; S365-E367 WeakPolarHBondContact OG-CB 3.5Å; S365-E367 WeakPolarHBondContact OG-CG 3.37Å; S365-E367 PolarHBondContact OG-N 3.05Å; E367-H380 PolarHBondContact O-ND1 3.33Å | ||
| 368 | K | 80.2 | Confident | 85.8 | Confident | 107 Ų | 107 | 79.4 Ų | 79.4 | 47% | 0.465 | 41% | 0.407 | S | S | . | . | trans | -106.7 | 93.1 | 177.3 | -70.8 | 164.8 | 170.9 | -176.4 | 0 | 109.6 | G366 F370 A378 F379 H380 | G366-K368 PolarHBondContact O-N 3.24Å; K368-F370 VanDerWaalsContact C-N 3.32Å; K368-F370 PolarHBondContact O-N 3.46Å; K368-A378 HydrophobicContact CB-CB 3.41Å; K368-A378 VanDerWaalsContact CB-CB 3.41Å; K368-A378 HydrophobicContact CD-CB 3.92Å; K368-A378 VanDerWaalsContact CD-O 3.3Å; K368-A378 WeakPolarHBondContact CD-O 3.4Å; K368-A378 HydrophobicContact CG-CB 4.23Å; K368-F379 CarbonylContact C-O 3.53Å; K368-F379 WeakPolarHBondContact CA-O 3.37Å; K368-H380 VanDerWaalsContact CG-CE1 3.45Å; K368-H380 WeakPolarHBondContact CG-CE1 3.36Å | ||
| 369 | Q | 81.4 | Confident | 85.6 | Confident | 121 Ų | 121 | 75.7 Ų | 75.7 | 57% | 0.565 | 39% | 0.391 | S | S | * | . | trans | -75.5 | -19.3 | -174 | -63.3 | 179.7 | -12 | 0 | 0 | 113.4 | F379 | Q369-F379 PolarHBondContact N-O 2.75Š| ||
| 370 | F | 86.4 | Confident | 85.4 | Confident | 62 Ų | 62 | 74.9 Ų | 74.9 | 27% | 0.272 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 103.8 | -172.2 | -55.9 | -70.8 | 0 | 0 | 0 | 110.8 | K368 A378 F379 V382 L385 | K368-F370 VanDerWaalsContact C-N 3.32Å; K368-F370 PolarHBondContact O-N 3.46Å; F370-A378 CarbonylContact O-C 3.48Å; F370-A378 WeakPolarHBondContact O-CA 3.35Å; F370-F379 HydrophobicContact CB-CB 4.48Å; F370-F379 PolarHBondContact N-O 3.26Å; F370-F379 PolarHBondContact O-N 3.3Å; F370-V382 HydrophobicContact CD1-CG2 3.57Å; F370-V382 HydrophobicContact CD2-CG2 4.22Å; F370-V382 HydrophobicContact CE1-CG2 3.22Å; F370-V382 HydrophobicContact CE2-CG2 3.91Å; F370-V382 HydrophobicContact CG-CG2 4.06Å; F370-V382 HydrophobicContact CZ-CG2 3.41Å; F370-V382 VanDerWaalsContact CZ-CG2 3.41Å; F370-L385 HydrophobicContact CB-CB 4.17Å; F370-L385 HydrophobicContact CB-CD2 3.89Å |
| 371 | K | 88.3 | Confident | 85.1 | Confident | 149 Ų | 149 | 75.5 Ų | 75.5 | 65% | 0.648 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 140.5 | -179.7 | -62.1 | -176.4 | -178.7 | 180 | 0 | 111.5 | A378 | K371-A378 HydrophobicContact CG-CB 3.92Å |
| 372 | C | 91.4 | Very high | 85 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 40% | 0.396 | C | S | . | . | trans | -70.7 | 127.9 | 166.9 | 174.6 | 0 | 0 | 0 | 0 | 109.8 | I374 C375 N376 K377 L385 H388 M389 H392 | C372-I374 VanDerWaalsContact C-N 3.31Å; C372-I374 PolarHBondContact SG-N 2.92Å; C372-I374 VanDerWaalsContact SG-N 3.36Å; C372-C375 PolarHBondContact SG-N 3.23Å; C372-N376 WeakPolarHBondContact O-CA 3.33Å; C372-N376 PolarHBondContact O-N 3.01Å; C372-K377 HydrophobicContact CB-CB 4.41Å; C372-K377 VanDerWaalsContact CB-O 3.29Å; C372-K377 WeakPolarHBondContact CB-O 3.28Å; C372-K377 PolarHBondContact N-O 3.1Å; C372-L385 HydrophobicContact CB-CD1 3.99Å; C372-H388 PolarHBondContact SG-NE2 3.22Å; C372-M389 HydrophobicContact CB-CE 3.71Å; C372-M389 WeakPolarHBondContact SG-CE 3.4Å; C372-H392 PolarHBondContact SG-NE2 3.44Å | ||
| 373 | N | 89.1 | Confident | 85 | Confident | 134 Ų | 134 | 79.9 Ų | 79.9 | 72% | 0.717 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -17.3 | 177.1 | 60.8 | -21 | 0 | 0 | 0 | 113.7 | ||
| 374 | I | 88.7 | Confident | 85.1 | Confident | 94 Ų | 94 | 79.1 Ų | 79.1 | 48% | 0.482 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -48.4 | -178.1 | -61.6 | 168.5 | 0 | 0 | 0 | 111.2 | C372 H392 | C372-I374 VanDerWaalsContact C-N 3.31Å; C372-I374 PolarHBondContact SG-N 2.92Å; C372-I374 VanDerWaalsContact SG-N 3.36Å; I374-H392 HydrophobicContact CD1-CB 3.48Å; I374-H392 VanDerWaalsContact CD1-CB 3.48Å |
| 375 | C | 90.9 | Very high | 85.3 | Confident | 48 Ų | 48 | 76.7 Ų | 76.7 | 32% | 0.324 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | 13.2 | -174 | 79.2 | 0 | 0 | 0 | 0 | 114 | C372 K377 H388 H392 | C372-C375 PolarHBondContact SG-N 3.23Å; C375-K377 PolarHBondContact O-N 3.02Å; C375-K377 VanDerWaalsContact SG-CG 3.58Å; C375-H388 VanDerWaalsContact SG-CE1 3.56Å; C375-H388 PolarHBondContact SG-NE2 3.48Å; C375-H392 PolarHBondContact SG-NE2 3.29Å |
| 376 | N | 86.6 | Confident | 85.6 | Confident | 125 Ų | 125 | 76.9 Ų | 76.9 | 67% | 0.668 | 39% | 0.392 | S | S | * | . | trans | 56.4 | 7.9 | 176.8 | -70.8 | -45.1 | 0 | 0 | 0 | 116.9 | C372 A378 | C372-N376 WeakPolarHBondContact O-CA 3.33Å; C372-N376 PolarHBondContact O-N 3.01Å; N376-A378 PolarHBondContact O-N 3.09Å | ||
| 377 | K | 87.3 | Confident | 86.1 | Confident | 129 Ų | 129 | 78.1 Ų | 78.1 | 56% | 0.561 | 39% | 0.385 | S | S | * | . | trans | -64.3 | 131.4 | 174.5 | -74.2 | -176.7 | -176.9 | -172.3 | 0 | 110.3 | C372 C375 F379 | C372-K377 HydrophobicContact CB-CB 4.41Å; C372-K377 VanDerWaalsContact CB-O 3.29Å; C372-K377 WeakPolarHBondContact CB-O 3.28Å; C372-K377 PolarHBondContact N-O 3.1Å; C375-K377 PolarHBondContact O-N 3.02Å; C375-K377 VanDerWaalsContact SG-CG 3.58Å; K377-F379 HydrophobicContact CB-CE2 4Å; K377-F379 HydrophobicContact CB-CZ 4.13Å; K377-F379 WeakPolarHBondContact O-CE2 3.48Å | ||
| 378 | A | 87.9 | Confident | 86.6 | Confident | 27 Ų | 27 | 74.2 Ų | 74.2 | 22% | 0.223 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 143.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K368 F370 K371 N376 | K368-A378 HydrophobicContact CB-CB 3.41Å; K368-A378 VanDerWaalsContact CB-CB 3.41Å; K368-A378 HydrophobicContact CD-CB 3.92Å; K368-A378 VanDerWaalsContact CD-O 3.3Å; K368-A378 WeakPolarHBondContact CD-O 3.4Å; K368-A378 HydrophobicContact CG-CB 4.23Å; F370-A378 CarbonylContact O-C 3.48Å; F370-A378 WeakPolarHBondContact O-CA 3.35Å; K371-A378 HydrophobicContact CG-CB 3.92Å; N376-A378 PolarHBondContact O-N 3.09Å |
| 379 | F | 85.6 | Confident | 86.9 | Confident | 44 Ų | 44 | 70.7 Ų | 70.7 | 19% | 0.193 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 152.3 | -175.6 | -57.7 | -89.3 | 0 | 0 | 0 | 111 | K368 Q369 F370 K377 N384 L385 H388 | K368-F379 CarbonylContact C-O 3.53Å; K368-F379 WeakPolarHBondContact CA-O 3.37Å; Q369-F379 PolarHBondContact N-O 2.75Å; F370-F379 HydrophobicContact CB-CB 4.48Å; F370-F379 PolarHBondContact N-O 3.26Å; F370-F379 PolarHBondContact O-N 3.3Å; K377-F379 HydrophobicContact CB-CE2 4Å; K377-F379 HydrophobicContact CB-CZ 4.13Å; K377-F379 WeakPolarHBondContact O-CE2 3.48Å; F379-N384 HydrophobicContact CB-CB 4.1Å; F379-N384 HydrophobicContact CD1-CB 3.81Å; F379-N384 HydrophobicContact CG-CB 4.18Å; F379-L385 HydrophobicContact CB-CB 4.48Å; F379-L385 HydrophobicContact CD2-CB 3.96Å; F379-L385 HydrophobicContact CD2-CD1 3.9Å; F379-L385 HydrophobicContact CE2-CD1 4.03Å; F379-L385 HydrophobicContact CG-CB 4.4Å; F379-H388 HydrophobicContact CE1-CB 4.02Å; F379-H388 HydrophobicContact CE2-CB 3.82Å; F379-H388 AromaticContact CE2-CD2 3.3Å; F379-H388 WeakPolarHBondContact CE2-CD2 3.21Å; F379-H388 AromaticContact CE2-CG 3.64Å; F379-H388 HydrophobicContact CZ-CB 3.39Å; F379-H388 AromaticContact CZ-CD2 3.41Å; F379-H388 VanDerWaalsContact CZ-CD2 3.41Å; F379-H388 WeakPolarHBondContact CZ-CD2 3.29Å; F379-H388 AromaticContact CZ-CG 3.27Å; F379-H388 AromaticContact CZ-ND1 3.94Å |
| 380 | H | 82.7 | Confident | 87.1 | Confident | 38 Ų | 38 | 66.6 Ų | 66.6 | 18% | 0.176 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -79 | -17.5 | 176.2 | -57.1 | -72.5 | 0 | 0 | 0 | 113.5 | L362 E367 K368 | L362-H380 HydrophobicContact CB-CB 4.45Å; L362-H380 PolarHBondContact O-CE1 3.43Å; L362-H380 PolarHBondContact O-ND1 2.86Å; E367-H380 PolarHBondContact O-ND1 3.33Å; K368-H380 VanDerWaalsContact CG-CE1 3.45Å; K368-H380 WeakPolarHBondContact CG-CE1 3.36Å |
| 381 | Q | 83.8 | Confident | 87 | Confident | 42 Ų | 42 | 67.3 Ų | 67.3 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -139.9 | 141.5 | -173.9 | -54.3 | -169.4 | 56 | 0 | 0 | 111.6 | N359 Y383 N384 L385 | N359-Q381 PolarHBondContact ND2-OE1 3.01Å; Q381-Y383 VanDerWaalsContact C-N 3.32Å; Q381-Y383 HydrophobicContact CB-CD1 3.9Å; Q381-Y383 HydrophobicContact CB-CE1 3.7Å; Q381-Y383 VanDerWaalsContact CD-CE1 3.48Å; Q381-Y383 HydrophobicContact CG-CE1 4.18Å; Q381-Y383 PolarHBondContact NE2-OH 2.94Å; Q381-Y383 PolarHBondContact O-N 3.25Å; Q381-N384 WeakPolarHBondContact O-CB 3.42Å; Q381-N384 PolarHBondContact O-N 3.37Å; Q381-N384 VanDerWaalsContact O-N 3.12Å; Q381-L385 PolarHBondContact O-N 3.45Å |
| 382 | V | 86.1 | Confident | 86.8 | Confident | 78 Ų | 78 | 63.1 Ų | 63.1 | 47% | 0.473 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58 | -40 | -178.6 | 179.6 | 0 | 0 | 0 | 0 | 112.6 | F370 N384 L385 T386 | F370-V382 HydrophobicContact CD1-CG2 3.57Å; F370-V382 HydrophobicContact CD2-CG2 4.22Å; F370-V382 HydrophobicContact CE1-CG2 3.22Å; F370-V382 HydrophobicContact CE2-CG2 3.91Å; F370-V382 HydrophobicContact CG-CG2 4.06Å; F370-V382 HydrophobicContact CZ-CG2 3.41Å; F370-V382 VanDerWaalsContact CZ-CG2 3.41Å; V382-N384 VanDerWaalsContact C-N 3.28Å; V382-N384 PolarHBondContact O-N 3.05Å; V382-L385 WeakPolarHBondContact O-CB 3.19Å; V382-L385 PolarHBondContact O-N 2.99Å; V382-T386 PolarHBondContact O-N 3.03Å; V382-T386 PolarHBondContact O-OG1 3.49Å |
| 383 | Y | 84.9 | Confident | 86.4 | Confident | 114 Ų | 114 | 67.4 Ų | 67.4 | 45% | 0.447 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.2 | -33.1 | -179.3 | 72.3 | -103.3 | 0 | 0 | 0 | 111.8 | Q381 T386 F387 | Q381-Y383 VanDerWaalsContact C-N 3.32Å; Q381-Y383 HydrophobicContact CB-CD1 3.9Å; Q381-Y383 HydrophobicContact CB-CE1 3.7Å; Q381-Y383 VanDerWaalsContact CD-CE1 3.48Å; Q381-Y383 HydrophobicContact CG-CE1 4.18Å; Q381-Y383 PolarHBondContact NE2-OH 2.94Å; Q381-Y383 PolarHBondContact O-N 3.25Å; Y383-T386 PolarHBondContact O-N 2.89Å; Y383-F387 AromaticContact CD2-CD2 3.94Å; Y383-F387 HydrophobicContact CD2-CD2 3.94Å; Y383-F387 AromaticContact CD2-CE2 3.81Å; Y383-F387 HydrophobicContact CD2-CE2 3.81Å; Y383-F387 WeakPolarHBondContact O-CD2 3.33Å; Y383-F387 WeakPolarHBondContact O-CG 3.21Å; Y383-F387 PolarHBondContact O-N 2.87Å |
| 384 | N | 87.3 | Confident | 85.8 | Confident | 57 Ų | 57 | 66.8 Ų | 66.8 | 31% | 0.305 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66 | -42 | 175.1 | -73.8 | -34.5 | 0 | 0 | 0 | 110.5 | F379 Q381 V382 T386 F387 H388 | F379-N384 HydrophobicContact CB-CB 4.1Å; F379-N384 HydrophobicContact CD1-CB 3.81Å; F379-N384 HydrophobicContact CG-CB 4.18Å; Q381-N384 WeakPolarHBondContact O-CB 3.42Å; Q381-N384 PolarHBondContact O-N 3.37Å; Q381-N384 VanDerWaalsContact O-N 3.12Å; V382-N384 VanDerWaalsContact C-N 3.28Å; V382-N384 PolarHBondContact O-N 3.05Å; N384-T386 VanDerWaalsContact C-N 3.34Å; N384-F387 PolarHBondContact O-N 3.17Å; N384-H388 VanDerWaalsContact O-CB 3.31Å; N384-H388 WeakPolarHBondContact O-CB 3.45Å; N384-H388 PolarHBondContact O-N 3.2Å |
| 385 | L | 89.4 | Confident | 85.4 | Confident | 30 Ų | 30 | 68.7 Ų | 68.7 | 16% | 0.157 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 171.9 | 173.9 | 62.1 | 0 | 0 | 0 | 111 | F370 C372 F379 Q381 V382 F387 H388 M389 | F370-L385 HydrophobicContact CB-CB 4.17Å; F370-L385 HydrophobicContact CB-CD2 3.89Å; C372-L385 HydrophobicContact CB-CD1 3.99Å; F379-L385 HydrophobicContact CB-CB 4.48Å; F379-L385 HydrophobicContact CD2-CB 3.96Å; F379-L385 HydrophobicContact CD2-CD1 3.9Å; F379-L385 HydrophobicContact CE2-CD1 4.03Å; F379-L385 HydrophobicContact CG-CB 4.4Å; Q381-L385 PolarHBondContact O-N 3.45Å; V382-L385 WeakPolarHBondContact O-CB 3.19Å; V382-L385 PolarHBondContact O-N 2.99Å; L385-F387 PolarHBondContact O-N 3.14Å; L385-H388 CarbonylContact O-C 3.52Å; L385-H388 WeakPolarHBondContact O-CA 3.33Å; L385-H388 WeakPolarHBondContact O-CB 3.46Å; L385-H388 PolarHBondContact O-N 3.24Å; L385-H388 VanDerWaalsContact O-N 3.14Å; L385-M389 HydrophobicContact CD1-CE 3.59Å; L385-M389 HydrophobicContact CD1-CG 4.42Å; L385-M389 HydrophobicContact CD1-SD 4.39Å; L385-M389 WeakPolarHBondContact O-CG 3.39Å; L385-M389 PolarHBondContact O-N 3.09Å |
| 386 | T | 88.2 | Confident | 85.1 | Confident | 66 Ų | 66 | 71.7 Ų | 71.7 | 41% | 0.405 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 179.5 | -51.3 | 0 | 0 | 0 | 0 | 111.4 | V382 Y383 N384 H388 M389 H390 | V382-T386 PolarHBondContact O-N 3.03Å; V382-T386 PolarHBondContact O-OG1 3.49Å; Y383-T386 PolarHBondContact O-N 2.89Å; N384-T386 VanDerWaalsContact C-N 3.34Å; T386-H388 VanDerWaalsContact C-N 3.29Å; T386-H388 PolarHBondContact O-N 3.36Å; T386-M389 WeakPolarHBondContact O-CB 3.15Å; T386-M389 PolarHBondContact O-N 3.46Å; T386-M389 VanDerWaalsContact O-N 3.1Å; T386-H390 PolarHBondContact O-N 2.91Å |
| 387 | F | 85 | Confident | 85 | Confident | 70 Ų | 70 | 69.2 Ų | 69.2 | 31% | 0.307 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.1 | -33.1 | 175 | -68.9 | -53.2 | 0 | 0 | 0 | 112.7 | Y383 N384 L385 M389 H390 C408 R409 | Y383-F387 AromaticContact CD2-CD2 3.94Å; Y383-F387 HydrophobicContact CD2-CD2 3.94Å; Y383-F387 AromaticContact CD2-CE2 3.81Å; Y383-F387 HydrophobicContact CD2-CE2 3.81Å; Y383-F387 WeakPolarHBondContact O-CD2 3.33Å; Y383-F387 WeakPolarHBondContact O-CG 3.21Å; Y383-F387 PolarHBondContact O-N 2.87Å; N384-F387 PolarHBondContact O-N 3.17Å; L385-F387 PolarHBondContact O-N 3.14Å; F387-M389 VanDerWaalsContact C-N 3.32Å; F387-H390 AromaticContact CD1-ND1 3.96Å; F387-H390 WeakPolarHBondContact O-CB 3.4Å; F387-H390 PolarHBondContact O-N 2.98Å; F387-C408 WeakPolarHBondContact CD1-O 3.36Å; F387-R409 HydrophobicContact CB-CG 4.17Å; F387-R409 HydrophobicContact CD1-CG 3.99Å; F387-R409 HydrophobicContact CG-CG 4Å |
| 388 | H | 87.2 | Confident | 85.1 | Confident | 24 Ų | 24 | 65.9 Ų | 65.9 | 11% | 0.111 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.5 | -35.1 | 171.1 | 172.7 | 57.5 | 0 | 0 | 0 | 111.7 | C372 C375 F379 N384 L385 T386 H390 T391 H392 | C372-H388 PolarHBondContact SG-NE2 3.22Å; C375-H388 VanDerWaalsContact SG-CE1 3.56Å; C375-H388 PolarHBondContact SG-NE2 3.48Å; F379-H388 HydrophobicContact CE1-CB 4.02Å; F379-H388 HydrophobicContact CE2-CB 3.82Å; F379-H388 AromaticContact CE2-CD2 3.3Å; F379-H388 WeakPolarHBondContact CE2-CD2 3.21Å; F379-H388 AromaticContact CE2-CG 3.64Å; F379-H388 HydrophobicContact CZ-CB 3.39Å; F379-H388 AromaticContact CZ-CD2 3.41Å; F379-H388 VanDerWaalsContact CZ-CD2 3.41Å; F379-H388 WeakPolarHBondContact CZ-CD2 3.29Å; F379-H388 AromaticContact CZ-CG 3.27Å; F379-H388 AromaticContact CZ-ND1 3.94Å; N384-H388 VanDerWaalsContact O-CB 3.31Å; N384-H388 WeakPolarHBondContact O-CB 3.45Å; N384-H388 PolarHBondContact O-N 3.2Å; L385-H388 CarbonylContact O-C 3.52Å; L385-H388 WeakPolarHBondContact O-CA 3.33Å; L385-H388 WeakPolarHBondContact O-CB 3.46Å; L385-H388 PolarHBondContact O-N 3.24Å; L385-H388 VanDerWaalsContact O-N 3.14Å; T386-H388 VanDerWaalsContact C-N 3.29Å; T386-H388 PolarHBondContact O-N 3.36Å; H388-H390 PolarHBondContact O-N 3.16Å; H388-T391 PolarHBondContact ND1-OG1 3.42Å; H388-T391 WeakPolarHBondContact O-CB 3.32Å; H388-T391 PolarHBondContact O-N 3.3Å; H388-T391 PolarHBondContact O-OG1 3Å; H388-H392 AromaticContact CE1-CD2 3.98Å; H388-H392 AromaticContact CE1-NE2 3.2Å; H388-H392 PolarHBondContact CE1-NE2 3.07Å; H388-H392 AromaticContact NE2-CD2 3.83Å; H388-H392 AromaticContact NE2-NE2 3.09Å; H388-H392 PolarHBondContact NE2-NE2 2.74Å |
| 389 | M | 86.7 | Confident | 85.2 | Confident | 32 Ų | 32 | 68.7 Ų | 68.7 | 16% | 0.158 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.6 | -28.7 | 176.6 | -69.7 | -55.2 | 89.2 | 0 | 0 | 112.3 | C372 L385 T386 F387 T391 H392 N393 | C372-M389 HydrophobicContact CB-CE 3.71Å; C372-M389 WeakPolarHBondContact SG-CE 3.4Å; L385-M389 HydrophobicContact CD1-CE 3.59Å; L385-M389 HydrophobicContact CD1-CG 4.42Å; L385-M389 HydrophobicContact CD1-SD 4.39Å; L385-M389 WeakPolarHBondContact O-CG 3.39Å; L385-M389 PolarHBondContact O-N 3.09Å; T386-M389 WeakPolarHBondContact O-CB 3.15Å; T386-M389 PolarHBondContact O-N 3.46Å; T386-M389 VanDerWaalsContact O-N 3.1Å; F387-M389 VanDerWaalsContact C-N 3.32Å; M389-T391 PolarHBondContact O-N 3.44Å; M389-H392 PolarHBondContact O-N 2.78Å; M389-H392 VanDerWaalsContact O-N 3.16Å; M389-N393 PolarHBondContact O-N 3.25Å; M389-N393 PolarHBondContact O-ND2 3.3Å |
| 390 | H | 86.8 | Confident | 85.5 | Confident | 35 Ų | 35 | 66.7 Ų | 66.7 | 16% | 0.162 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22.7 | 172.9 | -65.3 | 163.2 | 0 | 0 | 0 | 113.3 | T386 F387 H388 H392 D394 K395 C408 | T386-H390 PolarHBondContact O-N 2.91Å; F387-H390 AromaticContact CD1-ND1 3.96Å; F387-H390 WeakPolarHBondContact O-CB 3.4Å; F387-H390 PolarHBondContact O-N 2.98Å; H388-H390 PolarHBondContact O-N 3.16Å; H390-H392 VanDerWaalsContact C-N 3.33Å; H390-D394 PolarHBondContact O-N 3.5Å; H390-K395 VanDerWaalsContact CB-O 3.32Å; H390-K395 WeakPolarHBondContact CB-O 3.49Å; H390-K395 PolarHBondContact O-N 3.12Å; H390-C408 HydrophobicContact CB-CB 3.88Å; H390-C408 PolarHBondContact ND1-O 3.17Å |
| 391 | T | 83.7 | Confident | 85.8 | Confident | 77 Ų | 77 | 70.4 Ų | 70.4 | 47% | 0.472 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -18.4 | 176.6 | 73.7 | 0 | 0 | 0 | 0 | 113.4 | H388 M389 | H388-T391 PolarHBondContact ND1-OG1 3.42Å; H388-T391 WeakPolarHBondContact O-CB 3.32Å; H388-T391 PolarHBondContact O-N 3.3Å; H388-T391 PolarHBondContact O-OG1 3Å; M389-T391 PolarHBondContact O-N 3.44Å |
| 392 | H | 84.2 | Confident | 86.1 | Confident | 61 Ų | 61 | 73.1 Ų | 73.1 | 28% | 0.282 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -26.9 | 177.2 | -64.4 | -67.9 | 0 | 0 | 0 | 112.9 | C372 I374 C375 H388 M389 H390 | C372-H392 PolarHBondContact SG-NE2 3.44Å; I374-H392 HydrophobicContact CD1-CB 3.48Å; I374-H392 VanDerWaalsContact CD1-CB 3.48Å; C375-H392 PolarHBondContact SG-NE2 3.29Å; H388-H392 AromaticContact CE1-CD2 3.98Å; H388-H392 AromaticContact CE1-NE2 3.2Å; H388-H392 PolarHBondContact CE1-NE2 3.07Å; H388-H392 AromaticContact NE2-CD2 3.83Å; H388-H392 AromaticContact NE2-NE2 3.09Å; H388-H392 PolarHBondContact NE2-NE2 2.74Å; M389-H392 PolarHBondContact O-N 2.78Å; M389-H392 VanDerWaalsContact O-N 3.16Å; H390-H392 VanDerWaalsContact C-N 3.33Å |
| 393 | N | 82.7 | Confident | 86.3 | Confident | 90 Ų | 90 | 72 Ų | 72 | 48% | 0.481 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -100.1 | 5 | -176.8 | -63.7 | -81 | 0 | 0 | 0 | 112.6 | M389 K395 | M389-N393 PolarHBondContact O-N 3.25Å; M389-N393 PolarHBondContact O-ND2 3.3Å; N393-K395 HydrophobicContact CB-CD 4.2Å; N393-K395 HydrophobicContact CB-CG 3.97Å; N393-K395 PolarHBondContact O-N 3.32Å |
| 394 | D | 76.8 | Confident | 86.5 | Confident | 122 Ų | 122 | 69.1 Ų | 69.1 | 65% | 0.652 | 39% | 0.386 | S | S | * | . | trans | 47.7 | 18.6 | -171 | -69.7 | -56.6 | 0 | 0 | 0 | 115.5 | H390 K396 | H390-D394 PolarHBondContact O-N 3.5Å; D394-K396 PolarHBondContact O-N 3.47Å; D394-K396 VanDerWaalsContact O-N 3.11Å | ||
| 395 | K | 80.3 | Confident | 86.5 | Confident | 133 Ų | 133 | 72.4 Ų | 72.4 | 58% | 0.578 | 40% | 0.398 | S | S | * | . | trans | -70.1 | 113 | 177.7 | -72.1 | -175.8 | -179.9 | 180 | 0 | 107.7 | H390 N393 P397 | H390-K395 VanDerWaalsContact CB-O 3.32Å; H390-K395 WeakPolarHBondContact CB-O 3.49Å; H390-K395 PolarHBondContact O-N 3.12Å; N393-K395 HydrophobicContact CB-CD 4.2Å; N393-K395 HydrophobicContact CB-CG 3.97Å; N393-K395 PolarHBondContact O-N 3.32Å; K395-P397 WeakPolarHBondContact O-CD 3.31Å | ||
| 396 | K | 84.6 | Confident | 86.5 | Confident | 112 Ų | 112 | 72.2 Ų | 72.2 | 49% | 0.487 | 40% | 0.403 | S | S | . | . | trans | -113.2 | 82.3 | 174.8 | -74.2 | 165.6 | 178.4 | 175.8 | 0 | 108.7 | D394 F398 G406 F407 | D394-K396 PolarHBondContact O-N 3.47Å; D394-K396 VanDerWaalsContact O-N 3.11Å; K396-F398 PolarHBondContact O-N 2.8Å; K396-F398 VanDerWaalsContact O-N 3.11Å; K396-G406 WeakPolarHBondContact CD-O 3.48Å; K396-F407 CarbonylContact C-O 3.58Å; K396-F407 WeakPolarHBondContact CA-O 3.45Å | ||
| 397 | P | 84.8 | Confident | 86.4 | Confident | 73 Ų | 73 | 70.9 Ų | 70.9 | 47% | 0.474 | 39% | 0.392 | S | S | . | . | trans | -68.6 | -14.1 | -171.7 | -14.8 | 30.3 | 0 | 0 | 0 | 113 | K395 F407 | K395-P397 WeakPolarHBondContact O-CD 3.31Å; P397-F407 WeakPolarHBondContact CD-O 3.37Å | ||
| 398 | F | 88.2 | Confident | 86.4 | Confident | 58 Ų | 58 | 68.9 Ų | 68.9 | 25% | 0.254 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 103.9 | -175 | -55.5 | -73.3 | 0 | 0 | 0 | 109.3 | K396 G406 F407 N410 L413 | K396-F398 PolarHBondContact O-N 2.8Å; K396-F398 VanDerWaalsContact O-N 3.11Å; F398-G406 CarbonylContact O-C 3.6Å; F398-G406 WeakPolarHBondContact O-CA 3.25Å; F398-F407 HydrophobicContact CB-CB 4.38Å; F398-F407 PolarHBondContact N-O 3.12Å; F398-F407 PolarHBondContact O-N 3.39Å; F398-N410 HydrophobicContact CD1-CB 3.94Å; F398-N410 HydrophobicContact CD2-CB 4.42Å; F398-N410 HydrophobicContact CE1-CB 3.81Å; F398-N410 HydrophobicContact CE2-CB 4.3Å; F398-N410 HydrophobicContact CG-CB 4.23Å; F398-N410 HydrophobicContact CZ-CB 4Å; F398-L413 HydrophobicContact CB-CB 4.25Å; F398-L413 HydrophobicContact CB-CD2 3.84Å |
| 399 | T | 90.2 | Very high | 86.2 | Confident | 86 Ų | 86 | 73.4 Ų | 73.4 | 53% | 0.528 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 143.5 | 176.2 | 49.5 | 0 | 0 | 0 | 0 | 110.5 | P401 K405 | T399-P401 WeakPolarHBondContact O-CD 3.41Å; T399-K405 CarbonylContact C-O 3.22Å |
| 400 | C | 92.9 | Very high | 86.3 | Confident | 2 Ų | 2 | 74.8 Ų | 74.8 | 1% | 0.014 | 41% | 0.41 | C | S | . | . | trans | -73.1 | 122.9 | 170.9 | -178.6 | 0 | 0 | 0 | 0 | 109.4 | T402 C403 G404 K405 F407 L413 H421 | C400-T402 PolarHBondContact O-N 3.34Å; C400-C403 VanDerWaalsContact CB-SG 3.6Å; C400-G404 VanDerWaalsContact O-CA 3.24Å; C400-G404 WeakPolarHBondContact O-CA 3.44Å; C400-G404 PolarHBondContact O-N 3.5Å; C400-K405 PolarHBondContact N-O 3.02Å; C400-F407 HydrophobicContact CB-CE2 4.29Å; C400-L413 HydrophobicContact CB-CD1 3.71Å; C400-H421 VanDerWaalsContact SG-CD2 3.55Å; C400-H421 PolarHBondContact SG-NE2 3.39Å; C400-H421 VanDerWaalsContact SG-NE2 3.44Å | ||
| 401 | P | 88.4 | Confident | 86.3 | Confident | 117 Ų | 117 | 79.4 Ų | 79.4 | 76% | 0.76 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -32.3 | 177.3 | -22 | 33.6 | 0 | 0 | 0 | 112.6 | T399 | T399-P401 WeakPolarHBondContact O-CD 3.41Š|
| 402 | T | 89.1 | Confident | 86.6 | Confident | 98 Ų | 98 | 77.7 Ų | 77.7 | 60% | 0.601 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -38.1 | -173.9 | -41.3 | 0 | 0 | 0 | 0 | 113.2 | C400 H421 | C400-T402 PolarHBondContact O-N 3.34Å; T402-H421 WeakPolarHBondContact CG2-ND1 3.45Å |
| 403 | C | 92.1 | Very high | 86.9 | Confident | 54 Ų | 54 | 75.5 Ų | 75.5 | 37% | 0.365 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.7 | 5.1 | -173.7 | 74.7 | 0 | 0 | 0 | 0 | 114.7 | C400 K405 H416 | C400-C403 VanDerWaalsContact CB-SG 3.6Å; C403-K405 PolarHBondContact O-N 3.38Å; C403-H416 PolarHBondContact SG-NE2 3.06Å |
| 404 | G | 87.1 | Confident | 87.3 | Confident | 54 Ų | 54 | 77.1 Ų | 77.1 | 56% | 0.557 | 41% | 0.411 | S | S | * | . | trans | 69.9 | -7.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | C400 G406 | C400-G404 VanDerWaalsContact O-CA 3.24Å; C400-G404 WeakPolarHBondContact O-CA 3.44Å; C400-G404 PolarHBondContact O-N 3.5Å; G404-G406 PolarHBondContact O-N 3.13Å | ||
| 405 | K | 88.6 | Confident | 88 | Confident | 127 Ų | 127 | 75.9 Ų | 75.9 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | trans | -61.6 | 127.3 | -178 | -72 | -177.9 | -179.4 | 178.9 | 0 | 111.5 | T399 C400 C403 F407 | T399-K405 CarbonylContact C-O 3.22Å; C400-K405 PolarHBondContact N-O 3.02Å; C403-K405 PolarHBondContact O-N 3.38Å; K405-F407 HydrophobicContact CB-CE2 3.9Å; K405-F407 HydrophobicContact CB-CZ 4.09Å; K405-F407 VanDerWaalsContact O-CD2 3.29Å; K405-F407 WeakPolarHBondContact O-CD2 3.29Å; K405-F407 WeakPolarHBondContact O-CE2 3.4Å | ||
| 406 | G | 88.4 | Confident | 88.5 | Confident | 25 Ų | 25 | 70.6 Ų | 70.6 | 26% | 0.258 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 142.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K396 F398 G404 | K396-G406 WeakPolarHBondContact CD-O 3.48Å; F398-G406 CarbonylContact O-C 3.6Å; F398-G406 WeakPolarHBondContact O-CA 3.25Å; G404-G406 PolarHBondContact O-N 3.13Å |
| 407 | F | 86.6 | Confident | 88.8 | Confident | 39 Ų | 39 | 67.3 Ų | 67.3 | 17% | 0.171 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 145.6 | -179.3 | -60.3 | -89.4 | 0 | 0 | 0 | 111.3 | K396 P397 F398 C400 K405 D412 L413 H416 | K396-F407 CarbonylContact C-O 3.58Å; K396-F407 WeakPolarHBondContact CA-O 3.45Å; P397-F407 WeakPolarHBondContact CD-O 3.37Å; F398-F407 HydrophobicContact CB-CB 4.38Å; F398-F407 PolarHBondContact N-O 3.12Å; F398-F407 PolarHBondContact O-N 3.39Å; C400-F407 HydrophobicContact CB-CE2 4.29Å; K405-F407 HydrophobicContact CB-CE2 3.9Å; K405-F407 HydrophobicContact CB-CZ 4.09Å; K405-F407 VanDerWaalsContact O-CD2 3.29Å; K405-F407 WeakPolarHBondContact O-CD2 3.29Å; K405-F407 WeakPolarHBondContact O-CE2 3.4Å; F407-D412 HydrophobicContact CB-CB 4.44Å; F407-D412 HydrophobicContact CD1-CB 3.89Å; F407-D412 HydrophobicContact CG-CB 4.47Å; F407-L413 HydrophobicContact CB-CB 4.21Å; F407-L413 HydrophobicContact CD2-CB 3.85Å; F407-L413 HydrophobicContact CD2-CD1 3.71Å; F407-L413 HydrophobicContact CD2-CG 4.38Å; F407-L413 HydrophobicContact CE2-CD1 3.84Å; F407-L413 HydrophobicContact CG-CB 4.11Å; F407-H416 HydrophobicContact CE1-CB 3.94Å; F407-H416 HydrophobicContact CE2-CB 4.07Å; F407-H416 AromaticContact CE2-CD2 3.9Å; F407-H416 AromaticContact CE2-CG 3.85Å; F407-H416 HydrophobicContact CZ-CB 3.47Å; F407-H416 VanDerWaalsContact CZ-CB 3.47Å; F407-H416 AromaticContact CZ-CD2 3.81Å; F407-H416 AromaticContact CZ-CG 3.31Å; F407-H416 AromaticContact CZ-ND1 3.57Å |
| 408 | C | 84.7 | Confident | 89.1 | Confident | 27 Ų | 27 | 70.8 Ų | 70.8 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -79.8 | -18.8 | 177.8 | -56.3 | 0 | 0 | 0 | 0 | 113 | F387 H390 | F387-C408 WeakPolarHBondContact CD1-O 3.36Å; H390-C408 HydrophobicContact CB-CB 3.88Å; H390-C408 PolarHBondContact ND1-O 3.17Å |
| 409 | R | 84.1 | Confident | 89.2 | Confident | 119 Ų | 119 | 75.3 Ų | 75.3 | 45% | 0.449 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -132.5 | 139.5 | 179.8 | -56.7 | 180 | -65.3 | -171.9 | 1.4 | 110.9 | F387 F411 D412 L413 | F387-R409 HydrophobicContact CB-CG 4.17Å; F387-R409 HydrophobicContact CD1-CG 3.99Å; F387-R409 HydrophobicContact CG-CG 4Å; R409-F411 VanDerWaalsContact C-N 3.27Å; R409-F411 PolarHBondContact O-N 2.73Å; R409-D412 WeakPolarHBondContact CB-OD2 3.46Å; R409-D412 IonicContact CZ-OD1 3.36Å; R409-D412 IonicContact CZ-OD2 2.95Å; R409-D412 VanDerWaalsContact CZ-OD2 3.23Å; R409-D412 IonicContact NE-OD1 2.96Å; R409-D412 IonicContact NE-OD2 2.98Å; R409-D412 PolarHBondContact NE-OD2 2.79Å; R409-D412 VanDerWaalsContact NH2-CG 3.32Å; R409-D412 IonicContact NH2-OD1 3.06Å; R409-D412 PolarHBondContact NH2-OD1 3.43Å; R409-D412 IonicContact NH2-OD2 3.76Å; R409-D412 PolarHBondContact NH2-OD2 3.27Å; R409-D412 PolarHBondContact O-N 3.36Å; R409-L413 PolarHBondContact O-N 3.12Å |
| 410 | N | 87.8 | Confident | 89.1 | Confident | 62 Ų | 62 | 76.4 Ų | 76.4 | 33% | 0.332 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62 | -33.5 | 176.5 | -170.5 | -78.2 | 0 | 0 | 0 | 112.8 | F398 D412 L413 K414 | F398-N410 HydrophobicContact CD1-CB 3.94Å; F398-N410 HydrophobicContact CD2-CB 4.42Å; F398-N410 HydrophobicContact CE1-CB 3.81Å; F398-N410 HydrophobicContact CE2-CB 4.3Å; F398-N410 HydrophobicContact CG-CB 4.23Å; F398-N410 HydrophobicContact CZ-CB 4Å; N410-D412 VanDerWaalsContact C-N 3.31Å; N410-D412 PolarHBondContact O-N 2.73Å; N410-L413 WeakPolarHBondContact O-CB 3.49Å; N410-L413 PolarHBondContact O-N 3.03Å; N410-K414 PolarHBondContact O-N 3.48Å; N410-K414 WeakPolarHBondContact OD1-CD 3.46Å; N410-K414 WeakPolarHBondContact OD1-CE 3.2Å |
| 411 | F | 87.9 | Confident | 88.6 | Confident | 132 Ų | 132 | 78.5 Ų | 78.5 | 58% | 0.579 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59.7 | -41.8 | 175.9 | 177 | -95.6 | 0 | 0 | 0 | 112.2 | R409 K414 K415 | R409-F411 VanDerWaalsContact C-N 3.27Å; R409-F411 PolarHBondContact O-N 2.73Å; F411-K414 PolarHBondContact O-N 3.41Å; F411-K415 HydrophobicContact CE1-CD 4.46Å; F411-K415 WeakPolarHBondContact O-CB 3.28Å; F411-K415 PolarHBondContact O-N 3.41Å |
| 412 | D | 89.3 | Confident | 87.8 | Confident | 40 Ų | 40 | 77.6 Ų | 77.6 | 21% | 0.214 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.1 | -40.8 | 178.8 | -60.5 | -36.8 | 0 | 0 | 0 | 110.5 | F407 R409 N410 K415 H416 | F407-D412 HydrophobicContact CB-CB 4.44Å; F407-D412 HydrophobicContact CD1-CB 3.89Å; F407-D412 HydrophobicContact CG-CB 4.47Å; R409-D412 WeakPolarHBondContact CB-OD2 3.46Å; R409-D412 IonicContact CZ-OD1 3.36Å; R409-D412 IonicContact CZ-OD2 2.95Å; R409-D412 VanDerWaalsContact CZ-OD2 3.23Å; R409-D412 IonicContact NE-OD1 2.96Å; R409-D412 IonicContact NE-OD2 2.98Å; R409-D412 PolarHBondContact NE-OD2 2.79Å; R409-D412 VanDerWaalsContact NH2-CG 3.32Å; R409-D412 IonicContact NH2-OD1 3.06Å; R409-D412 PolarHBondContact NH2-OD1 3.43Å; R409-D412 IonicContact NH2-OD2 3.76Å; R409-D412 PolarHBondContact NH2-OD2 3.27Å; R409-D412 PolarHBondContact O-N 3.36Å; N410-D412 VanDerWaalsContact C-N 3.31Å; N410-D412 PolarHBondContact O-N 2.73Å; D412-K415 PolarHBondContact O-N 2.77Å; D412-H416 WeakPolarHBondContact O-CB 3.22Å; D412-H416 PolarHBondContact O-N 2.96Å |
| 413 | L | 90.9 | Very high | 86.4 | Confident | 16 Ų | 16 | 81 Ų | 81 | 8% | 0.084 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.5 | -49.4 | 172.1 | 171.6 | 61.4 | 0 | 0 | 0 | 111.7 | F398 C400 F407 R409 N410 K415 H416 I417 | F398-L413 HydrophobicContact CB-CB 4.25Å; F398-L413 HydrophobicContact CB-CD2 3.84Å; C400-L413 HydrophobicContact CB-CD1 3.71Å; F407-L413 HydrophobicContact CB-CB 4.21Å; F407-L413 HydrophobicContact CD2-CB 3.85Å; F407-L413 HydrophobicContact CD2-CD1 3.71Å; F407-L413 HydrophobicContact CD2-CG 4.38Å; F407-L413 HydrophobicContact CE2-CD1 3.84Å; F407-L413 HydrophobicContact CG-CB 4.11Å; R409-L413 PolarHBondContact O-N 3.12Å; N410-L413 WeakPolarHBondContact O-CB 3.49Å; N410-L413 PolarHBondContact O-N 3.03Å; L413-K415 VanDerWaalsContact C-N 3.3Å; L413-K415 PolarHBondContact O-N 3.11Å; L413-H416 WeakPolarHBondContact O-CB 3.47Å; L413-H416 PolarHBondContact O-N 3.48Å; L413-H416 VanDerWaalsContact O-N 3.14Å; L413-I417 HydrophobicContact CD1-CD1 3.75Å; L413-I417 HydrophobicContact CD1-CG1 3.99Å; L413-I417 HydrophobicContact CG-CD1 3.92Å; L413-I417 WeakPolarHBondContact O-CG1 3.41Å; L413-I417 PolarHBondContact O-N 2.83Å |
| 414 | K | 90.8 | Very high | 84.7 | Confident | 124 Ų | 124 | 83.8 Ų | 83.8 | 54% | 0.539 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.1 | -35.8 | 178.1 | -76.1 | -177.1 | 173.7 | -179 | 0 | 112.6 | N410 F411 R418 | N410-K414 PolarHBondContact O-N 3.48Å; N410-K414 WeakPolarHBondContact OD1-CD 3.46Å; N410-K414 WeakPolarHBondContact OD1-CE 3.2Å; F411-K414 PolarHBondContact O-N 3.41Å; K414-R418 WeakPolarHBondContact O-CB 3.41Å; K414-R418 VanDerWaalsContact O-CG 3.3Å; K414-R418 WeakPolarHBondContact O-CG 3.35Å; K414-R418 PolarHBondContact O-N 3.35Å; K414-R418 PolarHBondContact O-NE 3.17Å |
| 415 | K | 91.4 | Very high | 83 | Confident | 96 Ų | 96 | 84.5 Ų | 84.5 | 42% | 0.417 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.1 | -38.9 | 174.2 | -175 | -178.9 | 177.6 | -176.2 | 0 | 111 | F411 D412 L413 K419 | F411-K415 HydrophobicContact CE1-CD 4.46Å; F411-K415 WeakPolarHBondContact O-CB 3.28Å; F411-K415 PolarHBondContact O-N 3.41Å; D412-K415 PolarHBondContact O-N 2.77Å; L413-K415 VanDerWaalsContact C-N 3.3Å; L413-K415 PolarHBondContact O-N 3.11Å; K415-K419 HydrophobicContact CG-CD 4.28Å; K415-K419 WeakPolarHBondContact O-CB 3.44Å; K415-K419 VanDerWaalsContact O-CG 3.29Å; K415-K419 WeakPolarHBondContact O-CG 3.41Å; K415-K419 PolarHBondContact O-N 2.97Å; K415-K419 VanDerWaalsContact O-N 3.14Å |
| 416 | H | 90.9 | Very high | 80.9 | Confident | 21 Ų | 21 | 83.6 Ų | 83.6 | 10% | 0.097 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.5 | -51.7 | 174.6 | 170.1 | 84.1 | 0 | 0 | 0 | 111.4 | C403 F407 D412 L413 R418 K419 L420 H421 | C403-H416 PolarHBondContact SG-NE2 3.06Å; F407-H416 HydrophobicContact CE1-CB 3.94Å; F407-H416 HydrophobicContact CE2-CB 4.07Å; F407-H416 AromaticContact CE2-CD2 3.9Å; F407-H416 AromaticContact CE2-CG 3.85Å; F407-H416 HydrophobicContact CZ-CB 3.47Å; F407-H416 VanDerWaalsContact CZ-CB 3.47Å; F407-H416 AromaticContact CZ-CD2 3.81Å; F407-H416 AromaticContact CZ-CG 3.31Å; F407-H416 AromaticContact CZ-ND1 3.57Å; D412-H416 WeakPolarHBondContact O-CB 3.22Å; D412-H416 PolarHBondContact O-N 2.96Å; L413-H416 WeakPolarHBondContact O-CB 3.47Å; L413-H416 PolarHBondContact O-N 3.48Å; L413-H416 VanDerWaalsContact O-N 3.14Å; H416-R418 PolarHBondContact O-N 3.01Å; H416-K419 PolarHBondContact O-N 3.01Å; H416-L420 VanDerWaalsContact CE1-CD1 3.44Å; H416-L420 WeakPolarHBondContact CE1-CD1 3.2Å; H416-L420 WeakPolarHBondContact ND1-CD1 3.42Å; H416-L420 WeakPolarHBondContact O-CB 3.41Å; H416-L420 PolarHBondContact O-N 2.8Å; H416-H421 AromaticContact CD2-CD2 3.86Å; H416-H421 AromaticContact CD2-NE2 3.79Å; H416-H421 AromaticContact CE1-NE2 3.94Å; H416-H421 AromaticContact NE2-CD2 3.61Å; H416-H421 AromaticContact NE2-NE2 3.06Å; H416-H421 PolarHBondContact NE2-NE2 3.18Å |
| 417 | I | 91 | Very high | 78.5 | Confident | 44 Ų | 44 | 92.3 Ų | 92.3 | 23% | 0.226 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -57.7 | -51.7 | 177.5 | -65.7 | 169.7 | 0 | 0 | 0 | 110.5 | L413 K419 L420 H421 D422 | L413-I417 HydrophobicContact CD1-CD1 3.75Å; L413-I417 HydrophobicContact CD1-CG1 3.99Å; L413-I417 HydrophobicContact CG-CD1 3.92Å; L413-I417 WeakPolarHBondContact O-CG1 3.41Å; L413-I417 PolarHBondContact O-N 2.83Å; I417-K419 PolarHBondContact O-N 3.13Å; I417-K419 VanDerWaalsContact O-N 3.11Å; I417-L420 PolarHBondContact O-N 3.05Å; I417-H421 HydrophobicContact CG2-CB 4.23Å; I417-H421 CarbonylContact O-C 3.6Å; I417-H421 WeakPolarHBondContact O-CA 3.4Å; I417-H421 PolarHBondContact O-N 3.26Å; I417-D422 PolarHBondContact O-N 2.72Å |
| 418 | R | 90.9 | Very high | 75.9 | Confident | 146 Ų | 146 | 95.6 Ų | 95.6 | 55% | 0.551 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57.7 | -30.2 | 178.9 | -78 | -170.7 | -64.5 | 154.8 | -1.3 | 114.7 | K414 H416 D422 | K414-R418 WeakPolarHBondContact O-CB 3.41Å; K414-R418 VanDerWaalsContact O-CG 3.3Å; K414-R418 WeakPolarHBondContact O-CG 3.35Å; K414-R418 PolarHBondContact O-N 3.35Å; K414-R418 PolarHBondContact O-NE 3.17Å; H416-R418 PolarHBondContact O-N 3.01Å; R418-D422 WeakPolarHBondContact CA-OD2 3.35Å; R418-D422 VanDerWaalsContact CG-OD2 3.26Å; R418-D422 WeakPolarHBondContact CG-OD2 3.29Å |
| 419 | K | 89.9 | Confident | 73.7 | Confident | 152 Ų | 152 | 100.2 Ų | 100.2 | 66% | 0.661 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -90.3 | -31.1 | -176.5 | -77.6 | -171.9 | 169.9 | -147.2 | 0 | 113.6 | K415 H416 I417 | K415-K419 HydrophobicContact CG-CD 4.28Å; K415-K419 WeakPolarHBondContact O-CB 3.44Å; K415-K419 VanDerWaalsContact O-CG 3.29Å; K415-K419 WeakPolarHBondContact O-CG 3.41Å; K415-K419 PolarHBondContact O-N 2.97Å; K415-K419 VanDerWaalsContact O-N 3.14Å; H416-K419 PolarHBondContact O-N 3.01Å; I417-K419 PolarHBondContact O-N 3.13Å; I417-K419 VanDerWaalsContact O-N 3.11Å |
| 420 | L | 87.3 | Confident | 71.2 | Confident | 109 Ų | 109 | 98.8 Ų | 98.8 | 57% | 0.571 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -120.4 | -15.7 | -167 | -64.6 | 173.8 | 0 | 0 | 0 | 113.5 | H416 I417 | H416-L420 VanDerWaalsContact CE1-CD1 3.44Å; H416-L420 WeakPolarHBondContact CE1-CD1 3.2Å; H416-L420 WeakPolarHBondContact ND1-CD1 3.42Å; H416-L420 WeakPolarHBondContact O-CB 3.41Å; H416-L420 PolarHBondContact O-N 2.8Å; I417-L420 PolarHBondContact O-N 3.05Å |
| 421 | H | 84.3 | Confident | 68.8 | Low | 47 Ų | 47 | 102.3 Ų | 102.3 | 22% | 0.218 | 56% | 0.564 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -127.9 | -16.1 | -175.4 | -57.4 | -55 | 0 | 0 | 0 | 114.2 | C400 T402 H416 I417 L423 | C400-H421 VanDerWaalsContact SG-CD2 3.55Å; C400-H421 PolarHBondContact SG-NE2 3.39Å; C400-H421 VanDerWaalsContact SG-NE2 3.44Å; T402-H421 WeakPolarHBondContact CG2-ND1 3.45Å; H416-H421 AromaticContact CD2-CD2 3.86Å; H416-H421 AromaticContact CD2-NE2 3.79Å; H416-H421 AromaticContact CE1-NE2 3.94Å; H416-H421 AromaticContact NE2-CD2 3.61Å; H416-H421 AromaticContact NE2-NE2 3.06Å; H416-H421 PolarHBondContact NE2-NE2 3.18Å; I417-H421 HydrophobicContact CG2-CB 4.23Å; I417-H421 CarbonylContact O-C 3.6Å; I417-H421 WeakPolarHBondContact O-CA 3.4Å; I417-H421 PolarHBondContact O-N 3.26Å; H421-L423 PolarHBondContact O-N 3.05Å |
| 422 | D | 71.3 | Confident | 66.3 | Low | 97 Ų | 97 | 103.6 Ų | 103.6 | 52% | 0.519 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.5 | 25.9 | 179.7 | -89.7 | 6.9 | 0 | 0 | 0 | 114.7 | I417 R418 S424 | I417-D422 PolarHBondContact O-N 2.72Å; R418-D422 WeakPolarHBondContact CA-OD2 3.35Å; R418-D422 VanDerWaalsContact CG-OD2 3.26Å; R418-D422 WeakPolarHBondContact CG-OD2 3.29Å; D422-S424 PolarHBondContact O-N 3.43Å |
| 423 | L | 60.2 | Low | 63.9 | Low | 170 Ų | 170 | 107.7 Ų | 107.7 | 89% | 0.89 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -3.2 | 168.8 | -71.5 | 171.7 | 0 | 0 | 0 | 113 | H421 G425 | H421-L423 PolarHBondContact O-N 3.05Å; L423-G425 PolarHBondContact O-N 3.38Å |
| 424 | S | 55.8 | Low | 61.3 | Low | 112 Ų | 112 | 113.2 Ų | 113.2 | 78% | 0.783 | 64% | 0.637 | S | S | * | * | trans | -99.6 | 55.4 | -179.6 | 67.1 | 0 | 0 | 0 | 0 | 112.6 | D422 | D422-S424 PolarHBondContact O-N 3.43Š| ||
| 425 | G | 50.2 | Low | 58.8 | Low | 69 Ų | 69 | 112.3 Ų | 112.3 | 71% | 0.711 | 65% | 0.647 | S | S | * | * | trans | -138 | 25.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | L423 | L423-G425 PolarHBondContact O-N 3.38Š| ||
| 426 | S | 46.3 | Very low | 56.4 | Low | 108 Ų | 108 | 116.5 Ų | 116.5 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | trans | -152.5 | 100.1 | 163.6 | 56.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 427 | K | 36.8 | Very low | 53.8 | Low | 208 Ų | 208 | 121.4 Ų | 121.4 | 90% | 0.904 | 70% | 0.699 | S | S | * | * | trans | -173.2 | 91.4 | 145.9 | -100.7 | 165.9 | -170.6 | -170.7 | 0 | 106.6 | ||||
| 428 | S | 32.8 | Very low | 51.3 | Low | 109 Ų | 109 | 131.7 Ų | 131.7 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | trans | -53.4 | 141.8 | 146 | -72.6 | 0 | 0 | 0 | 0 | 107.3 | A430 | S428-A430 PolarHBondContact O-N 3.28Š| ||
| 429 | P | 37.5 | Very low | 49.3 | Very low | 124 Ų | 124 | 131 Ų | 131 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | trans | -66.4 | 105.5 | 166.1 | 8.9 | 3.7 | 0 | 0 | 0 | 106.4 | T431 | P429-T431 PolarHBondContact O-N 3.17Å; P429-T431 VanDerWaalsContact O-N 3.16Å | ||
| 430 | A | 32.8 | Very low | 47.2 | Very low | 88 Ų | 88 | 129.9 Ų | 129.9 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -58.5 | 116.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | S428 L432 | S428-A430 PolarHBondContact O-N 3.28Å; A430-L432 PolarHBondContact O-N 3.4Å | ||
| 431 | T | 36 | Very low | 44.9 | Very low | 137 Ų | 137 | 131.1 Ų | 131.1 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | trans | -48 | 111.7 | 167.7 | 11.7 | 0 | 0 | 0 | 0 | 108.2 | P429 V433 | P429-T431 PolarHBondContact O-N 3.17Å; P429-T431 VanDerWaalsContact O-N 3.16Å; T431-V433 PolarHBondContact O-N 3.12Å | ||
| 432 | L | 36.6 | Very low | 42.6 | Very low | 159 Ų | 159 | 136 Ų | 136 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -60.8 | 117.8 | 168.6 | -87.9 | 154.3 | 0 | 0 | 0 | 108 | A430 T434 | A430-L432 PolarHBondContact O-N 3.4Å; L432-T434 PolarHBondContact O-N 3.18Å | ||
| 433 | V | 38.6 | Very low | 40.8 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 76% | 0.758 | 82% | 0.821 | S | S | * | * | trans | -52.7 | 118 | 155.8 | 174.2 | 0 | 0 | 0 | 0 | 107.2 | T431 | T431-V433 PolarHBondContact O-N 3.12Š| ||
| 434 | T | 35.9 | Very low | 39.5 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 82% | 0.816 | 82% | 0.817 | S | S | * | * | trans | -104 | 100.6 | 156.8 | 38.7 | 0 | 0 | 0 | 0 | 106.3 | L432 | L432-T434 PolarHBondContact O-N 3.18Š| ||
| 435 | S | 37.5 | Very low | 38.4 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | trans | -84.1 | 106.1 | 156 | 50.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 436 | E | 41.3 | Very low | 37.5 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | -129.4 | 129.6 | 155.9 | -78.3 | -171.1 | 165.7 | 0 | 0 | 109.2 | ||||
| 437 | T | 37.7 | Very low | 36.7 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 76% | 0.761 | 83% | 0.834 | S | S | * | * | trans | -49.1 | 134.4 | 175.3 | 44.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 438 | H | 37.3 | Very low | 36.7 | Very low | 260 Ų | 260 | 140.7 Ų | 140.7 | 100% | 1.204 | 83% | 0.827 | S | S | * | * | -162.1 | 0 | 117.9 | -111.7 | -62.4 | 0 | 0 | 0 | 112.2 |
Retrieved 438 of 438 residues in 604.5 ms
(Link to these results)