| 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 | 38.3 | Very low | 36.5 | Very low | 242 Ų | 242 | 141 Ų | 141 | 100% | 1.192 | 86% | 0.862 | S | S | * | * | 0 | 137.3 | 0 | -71.5 | 178.4 | 170.2 | 0 | 0 | 107.9 | |||||
| 2 | S | 32 | Very low | 36 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 87% | 0.874 | 85% | 0.854 | S | S | * | * | trans | 162.4 | 150.5 | 155.8 | -88.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 3 | V | 36.6 | Very low | 36.3 | Very low | 141 Ų | 141 | 140.2 Ų | 140.2 | 86% | 0.855 | 85% | 0.852 | S | S | * | * | trans | -126.2 | 169.2 | -173.6 | -69.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 4 | D | 35.2 | Very low | 36.3 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 85% | 0.845 | 84% | 0.838 | S | S | * | * | trans | -71.8 | 159.7 | -161.8 | -47.7 | -99.2 | 0 | 0 | 0 | 116.2 | ||||
| 5 | A | 38.2 | Very low | 35.9 | Very low | 96 Ų | 96 | 140.3 Ų | 140.3 | 79% | 0.793 | 84% | 0.841 | S | S | * | * | trans | -151.7 | 91.2 | 152.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 6 | L | 46.3 | Very low | 35.6 | Very low | 180 Ų | 180 | 136.9 Ų | 136.9 | 94% | 0.942 | 83% | 0.826 | S | S | * | * | trans | 49.9 | 95.1 | 147.8 | -54 | 178.5 | 0 | 0 | 0 | 118.8 | ||||
| 7 | G | 30 | Very low | 35.6 | Very low | 74 Ų | 74 | 138 Ų | 138 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | -130.3 | 149.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 8 | S | 34.8 | Very low | 35.6 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -162.7 | 157 | 173.5 | -75.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 9 | P | 44.5 | Very low | 35.5 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | cis | -130.1 | -154.2 | 4 | 34.3 | -12.1 | 0 | 0 | 0 | 113.1 | ||||
| 10 | V | 31.5 | Very low | 35.3 | Very low | 126 Ų | 126 | 143 Ų | 143 | 76% | 0.764 | 82% | 0.821 | S | S | * | * | trans | 100.3 | 113.7 | 160.4 | -170.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 11 | M | 34.3 | Very low | 35.2 | Very low | 170 Ų | 170 | 141 Ų | 141 | 84% | 0.837 | 82% | 0.823 | S | S | * | * | trans | 12.1 | 130.7 | 150.9 | -51.2 | -57.3 | -172.9 | 0 | 0 | 121.6 | ||||
| 12 | D | 30.8 | Very low | 35 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | -167.8 | 125.4 | 100.2 | -156 | -26.4 | 0 | 0 | 0 | 111.2 | A14 | D12-A14 PolarHBondContact O-N 3.3Š| |||
| 13 | P | 39.5 | Very low | 35.3 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -89.7 | 83.3 | -177.1 | 34.8 | -36.1 | 0 | 0 | 0 | 114.4 | ||||
| 14 | A | 36.3 | Very low | 35.1 | Very low | 80 Ų | 80 | 140.4 Ų | 140.4 | 66% | 0.661 | 79% | 0.792 | S | S | * | * | trans | -123 | 130.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D12 | D12-A14 PolarHBondContact O-N 3.3Š| ||
| 15 | F | 30.9 | Very low | 35.2 | Very low | 202 Ų | 202 | 139.5 Ų | 139.5 | 89% | 0.886 | 79% | 0.791 | S | S | * | * | trans | 52.2 | 96.9 | 161.9 | -90.6 | -97.2 | 0 | 0 | 0 | 119.9 | ||||
| 16 | S | 30.5 | Very low | 34.9 | Very low | 86 Ų | 86 | 140.3 Ų | 140.3 | 60% | 0.601 | 78% | 0.782 | S | S | * | * | -175.8 | 128.2 | 117.6 | -93 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 17 | K | 35.4 | Very low | 34.3 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | 68.1 | 117.9 | 129.4 | -65.2 | 165.1 | -168.7 | 141 | 0 | 121.2 | |||||
| 18 | R | 35.6 | Very low | 34.3 | Very low | 209 Ų | 209 | 140.2 Ų | 140.2 | 79% | 0.789 | 78% | 0.778 | S | S | * | * | 79.3 | 108.8 | 124.8 | -65.8 | 171.6 | -170.3 | 164.3 | -2.3 | 120 | |||||
| 19 | N | 34.5 | Very low | 34.1 | Very low | 161 Ų | 161 | 138 Ų | 138 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | 62.5 | 77.7 | 108.8 | -163.3 | 36.4 | 0 | 0 | 0 | 118.6 | |||||
| 20 | T | 31.8 | Very low | 33.6 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -137.9 | 90.8 | 165.7 | -49.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 21 | A | 32.9 | Very low | 33.6 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -158.1 | 62.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 22 | L | 33.4 | Very low | 33.6 | Very low | 159 Ų | 159 | 138 Ų | 138 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -115.9 | 120.8 | 170.8 | -118.6 | 179.5 | 0 | 0 | 0 | 109.3 | ||||
| 23 | R | 38.8 | Very low | 33.6 | Very low | 218 Ų | 218 | 140.7 Ų | 140.7 | 82% | 0.823 | 78% | 0.776 | S | S | * | * | trans | 171 | 120.2 | 146.1 | -81.9 | -100.7 | 155.2 | 129.4 | -1 | 106.6 | ||||
| 24 | L | 32.9 | Very low | 33.3 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 62% | 0.618 | 77% | 0.774 | S | S | * | * | 53.8 | 123.6 | 96.3 | -77.1 | 76.6 | 0 | 0 | 0 | 110.7 | |||||
| 25 | V | 35.5 | Very low | 33.1 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | cis | -154.8 | 157.7 | 47.2 | 162.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 26 | D | 32.6 | Very low | 33.1 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 60% | 0.604 | 77% | 0.774 | S | S | * | * | cis | 167.1 | 164.8 | -28.6 | -109.9 | -61.9 | 0 | 0 | 0 | 105.4 | ||||
| 27 | L | 33 | Very low | 33.3 | Very low | 155 Ų | 155 | 148.7 Ų | 148.7 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | cis | -161.8 | 174.6 | -0.6 | 173.7 | 57.3 | 0 | 0 | 0 | 107.9 | ||||
| 28 | A | 31.4 | Very low | 33 | Very low | 98 Ų | 98 | 149.8 Ų | 149.8 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | 74.7 | 148.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 29 | G | 29.9 | Very low | 32.9 | Very low | 73 Ų | 73 | 147.9 Ų | 147.9 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | cis | -163.1 | 154.4 | -4.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 30 | A | 33.2 | Very low | 32.8 | Very low | 94 Ų | 94 | 146.3 Ų | 146.3 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | trans | -79.8 | 149.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 31 | H | 33.3 | Very low | 33.1 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | -172.3 | 142.5 | 122.8 | -112.2 | -128.1 | 0 | 0 | 0 | 114.3 | |||||
| 32 | H | 32.8 | Very low | 33 | Very low | 155 Ų | 155 | 149.7 Ų | 149.7 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | trans | 21.2 | 115.4 | 149.9 | -70.8 | 82.4 | 0 | 0 | 0 | 120.6 | H34 | H32-H34 PolarHBondContact O-N 3.37Š| ||
| 33 | H | 31.2 | Very low | 32.9 | Very low | 202 Ų | 202 | 147.5 Ų | 147.5 | 94% | 0.935 | 78% | 0.782 | S | S | * | * | trans | -60.4 | 118.2 | 150.7 | -103.2 | -52.7 | 0 | 0 | 0 | 110.1 | ||||
| 34 | H | 32.4 | Very low | 32.5 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -107.1 | 159.3 | 166.2 | -152.5 | 82.8 | 0 | 0 | 0 | 110.8 | H32 | H32-H34 PolarHBondContact O-N 3.37Š| ||
| 35 | H | 32.7 | Very low | 32.6 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -69 | 129.7 | 176.1 | -107.1 | -103 | 0 | 0 | 0 | 111.1 | H37 | H35-H37 PolarHBondContact O-N 3.28Š| ||
| 36 | H | 31.8 | Very low | 32.2 | Very low | 172 Ų | 172 | 141.6 Ų | 141.6 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -75 | 121.5 | 162.6 | -101.5 | -90.5 | 0 | 0 | 0 | 109.9 | ||||
| 37 | H | 33.1 | Very low | 32.1 | Very low | 160 Ų | 160 | 146.1 Ų | 146.1 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | -106.1 | 131.6 | 155.6 | -106.4 | -98.2 | 0 | 0 | 0 | 107.7 | H35 | H35-H37 PolarHBondContact O-N 3.28Š| ||
| 38 | H | 31 | Very low | 32.5 | Very low | 179 Ų | 179 | 145 Ų | 145 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | trans | -78.1 | 129.1 | 170.3 | -86.3 | -97.6 | 0 | 0 | 0 | 109.9 | ||||
| 39 | H | 32.2 | Very low | 32.4 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 79% | 0.787 | 80% | 0.801 | S | S | * | * | trans | -112.1 | 148.8 | 158 | -91.6 | -94.8 | 0 | 0 | 0 | 109.3 | ||||
| 40 | T | 32.4 | Very low | 32.3 | Very low | 128 Ų | 128 | 150.5 Ų | 150.5 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 143.9 | 176.5 | 42.4 | 0 | 0 | 0 | 0 | 111 | ||
| 41 | P | 38.7 | Very low | 32.1 | Very low | 125 Ų | 125 | 149.7 Ų | 149.7 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 137.7 | 175.1 | 31.8 | -33 | 0 | 0 | 0 | 111.4 | ||
| 42 | Q | 31.4 | Very low | 31.9 | Very low | 191 Ų | 191 | 147.6 Ų | 147.6 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 127.4 | 156.4 | -71.5 | -177.7 | -16.9 | 0 | 0 | 108.1 | ||
| 43 | S | 30.3 | Very low | 31.7 | Very low | 114 Ų | 114 | 148.6 Ų | 148.6 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 120.2 | 178.2 | 55.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 44 | V | 31.2 | Very low | 32.6 | Very low | 146 Ų | 146 | 143.9 Ų | 143.9 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -91 | 128.1 | 171.8 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | ||
| 45 | T | 34.3 | Very low | 32.6 | Very low | 126 Ų | 126 | 144 Ų | 144 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 145.3 | 178.3 | 44.2 | 0 | 0 | 0 | 0 | 112.1 | ||
| 46 | G | 27.9 | Very low | 32.4 | Very low | 78 Ų | 78 | 140.4 Ų | 140.4 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 146.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 47 | F | 29.8 | Very low | 32.4 | Very low | 207 Ų | 207 | 141.1 Ų | 141.1 | 91% | 0.908 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 156.7 | 168 | -87.6 | -79.7 | 0 | 0 | 0 | 112.1 | ||
| 48 | P | 41.7 | Very low | 32.3 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | -149.1 | 170.8 | 63.2 | 41.4 | -22.4 | 0 | 0 | 0 | 118.1 | |||||
| 49 | G | 28.2 | Very low | 32.2 | Very low | 66 Ų | 66 | 137.3 Ų | 137.3 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | trans | 140.6 | 106.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 50 | F | 29.6 | Very low | 32.1 | Very low | 219 Ų | 219 | 133.2 Ų | 133.2 | 96% | 0.961 | 79% | 0.794 | S | S | * | * | trans | -23.7 | 141.8 | 164.6 | -59.4 | -95.4 | 0 | 0 | 0 | 118.9 | ||||
| 51 | G | 27.8 | Very low | 32.3 | Very low | 78 Ų | 78 | 135.2 Ų | 135.2 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 176.1 | 122.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 52 | S | 29.2 | Very low | 32.9 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -77.4 | 141.6 | -175.4 | 50.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 53 | H | 29.5 | Very low | 32.8 | Very low | 175 Ų | 175 | 130.1 Ų | 130.1 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -67.9 | 176.1 | 153.4 | -85.7 | 59.3 | 0 | 0 | 0 | 111 | ||||
| 54 | P | 50 | Low | 32.9 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | cis | -142.2 | 178.9 | 8.7 | 30.9 | -6.4 | 0 | 0 | 0 | 118.4 | ||||
| 55 | H | 31.9 | Very low | 33.1 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 79% | 0.787 | 79% | 0.793 | S | S | * | * | trans | 68 | 121.2 | 138.4 | -85.8 | -61.9 | 0 | 0 | 0 | 125.8 | ||||
| 56 | S | 29.3 | Very low | 33 | Very low | 86 Ų | 86 | 134.1 Ų | 134.1 | 60% | 0.601 | 79% | 0.793 | S | S | * | * | 94.5 | 128.6 | 121.6 | -69 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 57 | M | 31.8 | Very low | 33.1 | Very low | 187 Ų | 187 | 135 Ų | 135 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | 69.4 | 153.8 | 145.6 | -69.3 | 177.4 | -177.8 | 0 | 0 | 117.9 | ||||
| 58 | A | 29 | Very low | 33.4 | Very low | 78 Ų | 78 | 132.6 Ų | 132.6 | 65% | 0.645 | 78% | 0.784 | S | S | * | * | cis | -158.9 | 179.3 | -3.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 59 | H | 29.7 | Very low | 33.8 | Very low | 181 Ų | 181 | 131.9 Ų | 131.9 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -2 | 151.5 | 149.4 | -59.2 | -75.1 | 0 | 0 | 0 | 120.3 | ||||
| 60 | S | 29.8 | Very low | 34.2 | Very low | 84 Ų | 84 | 139.3 Ų | 139.3 | 59% | 0.587 | 79% | 0.787 | S | S | * | * | cis | -178.4 | 170.5 | -3.5 | 49.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 61 | H | 37.3 | Very low | 34.3 | Very low | 171 Ų | 171 | 137.5 Ų | 137.5 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | 69.6 | 175.2 | 159.2 | -60.1 | -60.5 | 0 | 0 | 0 | 118.2 | ||||
| 62 | P | 51.2 | Low | 34.4 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | -133.8 | -177.3 | -80 | 41.3 | -24 | 0 | 0 | 0 | 114 | |||||
| 63 | G | 29.8 | Very low | 35.3 | Very low | 81 Ų | 81 | 137.3 Ų | 137.3 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -173.6 | 109.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 64 | E | 31.3 | Very low | 35.8 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | -112.5 | 136.7 | 176.5 | -177.4 | -172 | 152.4 | 0 | 0 | 109.7 | ||||
| 65 | I | 35.8 | Very low | 36 | Very low | 173 Ų | 173 | 134 Ų | 134 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | -141.9 | 145.2 | 162.6 | 45.8 | 172.6 | 0 | 0 | 0 | 110.7 | ||||
| 66 | T | 32.7 | Very low | 36.1 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | trans | -115.4 | 151 | -165.8 | -9.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 67 | A | 30.5 | Very low | 36.3 | Very low | 98 Ų | 98 | 135 Ų | 135 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | 167.1 | 130.3 | 133 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 68 | E | 34.8 | Very low | 37.8 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | trans | -93.5 | 156.6 | 157.4 | -107.2 | -84.7 | 140.3 | 0 | 0 | 108.1 | R70 | E68-R70 PolarHBondContact OE2-N 2.8Š| ||
| 69 | P | 50.2 | Low | 38 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | -153.4 | 127 | 95.5 | 35.9 | -15.8 | 0 | 0 | 0 | 117.8 | |||||
| 70 | R | 36.5 | Very low | 38.3 | Very low | 221 Ų | 221 | 134.3 Ų | 134.3 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | 30.7 | 133.5 | 126.6 | -65.3 | -174 | 167.8 | -142.2 | -4.4 | 120.7 | E68 | E68-R70 PolarHBondContact OE2-N 2.8Š| |||
| 71 | L | 32 | Very low | 38.6 | Very low | 181 Ų | 181 | 137.3 Ų | 137.3 | 95% | 0.948 | 79% | 0.786 | S | S | * | * | -154.6 | 155.7 | 120.5 | -105.3 | 173 | 0 | 0 | 0 | 110.8 | |||||
| 72 | G | 29.6 | Very low | 38.3 | Very low | 64 Ų | 64 | 132.7 Ų | 132.7 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | trans | -113.3 | -152.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 73 | P | 48.9 | Very low | 37.5 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | cis | -136.9 | -174.8 | 10.1 | 43.3 | -26.1 | 0 | 0 | 0 | 115.9 | ||||
| 74 | S | 40.2 | Very low | 37.6 | Very low | 115 Ų | 115 | 136 Ų | 136 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -147 | 137.5 | 162.1 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 75 | P | 54.1 | Low | 37.6 | Very low | 95 Ų | 95 | 132.7 Ų | 132.7 | 62% | 0.617 | 78% | 0.782 | S | S | * | * | trans | -136.4 | 160.5 | 144.5 | 39.3 | -26.9 | 0 | 0 | 0 | 111.3 | ||||
| 76 | F | 34.3 | Very low | 37.3 | Very low | 208 Ų | 208 | 129.1 Ų | 129.1 | 91% | 0.912 | 78% | 0.778 | S | S | * | * | cis | -136.8 | 176.6 | 26.6 | -84.3 | -95.5 | 0 | 0 | 0 | 112.9 | ||||
| 77 | G | 33.3 | Very low | 37.5 | Very low | 68 Ų | 68 | 131.4 Ų | 131.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -109.5 | -133.5 | -173 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 78 | P | 62.2 | Low | 37.6 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | -137.6 | -151.5 | -105.4 | 42.4 | -25 | 0 | 0 | 0 | 115.6 | |||||
| 79 | E | 34.3 | Very low | 37.4 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | 81.1 | 141.4 | 174.8 | -81.1 | -161.9 | -108.4 | 0 | 0 | 117.9 | ||||
| 80 | H | 35.7 | Very low | 36.8 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 65% | 0.653 | 79% | 0.788 | S | S | * | * | cis | -160.5 | 169.6 | -14.3 | -142.6 | 159 | 0 | 0 | 0 | 113 | ||||
| 81 | M | 36.7 | Very low | 37.1 | Very low | 146 Ų | 146 | 130.3 Ų | 130.3 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | trans | 51 | 123.5 | 150.5 | -135.1 | 66.4 | 110.1 | 0 | 0 | 121.8 | ||||
| 82 | G | 30.5 | Very low | 37 | Very low | 74 Ų | 74 | 126 Ų | 126 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | 178.5 | 105.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 83 | H | 34.9 | Very low | 37.2 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | -76.5 | 160.1 | 173.2 | -42.9 | -103.7 | 0 | 0 | 0 | 110.1 | ||||
| 84 | S | 31.4 | Very low | 36.4 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | cis | -160.5 | 156.3 | 22.3 | -45.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 85 | A | 31.1 | Very low | 36.1 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | 53.3 | 149.3 | 149.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 86 | A | 30.2 | Very low | 35.4 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | cis | -162 | 112.5 | -25.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 87 | L | 37 | Very low | 35.5 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | trans | -95.1 | 136.3 | 165 | -80.2 | 170 | 0 | 0 | 0 | 109.7 | ||||
| 88 | K | 32.9 | Very low | 35.4 | Very low | 191 Ų | 191 | 142.3 Ų | 142.3 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | -174.5 | 132.3 | 142.5 | -106.5 | 166.3 | -179.4 | 178.1 | 0 | 114.5 | ||||
| 89 | I | 30.5 | Very low | 34.2 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | 68.5 | 114.7 | 141.4 | -62.4 | 160 | 0 | 0 | 0 | 118.8 | ||||
| 90 | S | 36.2 | Very low | 34.1 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -83.1 | 155.6 | 156.1 | -36.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 91 | P | 42.3 | Very low | 33.9 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -119.6 | 158.5 | 147.6 | 9.5 | 11.7 | 0 | 0 | 0 | 112.6 | ||||
| 92 | A | 31.2 | Very low | 33.6 | Very low | 92 Ų | 92 | 146.6 Ų | 146.6 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -82.2 | 139.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | H94 | A92-H94 PolarHBondContact O-N 3.33Š| ||
| 93 | H | 33.9 | Very low | 33.7 | Very low | 182 Ų | 182 | 150 Ų | 150 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -75.7 | 110.7 | 171.6 | -81.6 | -82.9 | 0 | 0 | 0 | 111.8 | ||||
| 94 | H | 30.8 | Very low | 33.5 | Very low | 182 Ų | 182 | 149 Ų | 149 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -69.5 | 133.6 | 162.5 | -89.4 | 51.2 | 0 | 0 | 0 | 110.7 | A92 | A92-H94 PolarHBondContact O-N 3.33Š| ||
| 95 | Y | 35 | Very low | 33.5 | Very low | 217 Ų | 217 | 151.4 Ų | 151.4 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -100.5 | 115 | 166.2 | -94.6 | -86.4 | 0 | 0 | 0 | 110 | H97 | Y95-H97 PolarHBondContact O-N 3.07Š| ||
| 96 | P | 39.3 | Very low | 33.7 | Very low | 102 Ų | 102 | 154.4 Ų | 154.4 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | trans | -77.5 | 120.9 | 174.9 | 29.3 | -32.2 | 0 | 0 | 0 | 111.4 | H98 | P96-H98 PolarHBondContact O-N 3.26Å; P96-H98 VanDerWaalsContact O-N 3.12Å | ||
| 97 | H | 36.4 | Very low | 33.7 | Very low | 184 Ų | 184 | 158.2 Ų | 158.2 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | trans | -80.6 | 85.5 | 176.6 | -124 | -89.8 | 0 | 0 | 0 | 110.6 | Y95 H99 | Y95-H97 PolarHBondContact O-N 3.07Å; H97-H99 PolarHBondContact O-N 3.31Å | ||
| 98 | H | 31.2 | Very low | 33.6 | Very low | 156 Ų | 156 | 154.4 Ų | 154.4 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | -74.3 | 99.1 | 176.1 | -93.8 | -68.5 | 0 | 0 | 0 | 112.6 | P96 | P96-H98 PolarHBondContact O-N 3.26Å; P96-H98 VanDerWaalsContact O-N 3.12Å | ||
| 99 | H | 36.5 | Very low | 33.4 | Very low | 168 Ų | 168 | 148.8 Ų | 148.8 | 78% | 0.778 | 78% | 0.776 | S | S | * | * | trans | -63.9 | 140.9 | 147.4 | -99.5 | -109.6 | 0 | 0 | 0 | 109.1 | H97 | H97-H99 PolarHBondContact O-N 3.31Š| ||
| 100 | H | 32.5 | Very low | 33.5 | Very low | 165 Ų | 165 | 150.9 Ų | 150.9 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | -128.2 | 110.7 | 172.2 | -128.1 | 74.2 | 0 | 0 | 0 | 109.4 | ||||
| 101 | H | 30.7 | Very low | 33.3 | Very low | 166 Ų | 166 | 150 Ų | 150 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -79.5 | 127.7 | 172.2 | -116.3 | -97 | 0 | 0 | 0 | 108.8 | H103 | H101-H103 PolarHBondContact O-N 3.33Š| ||
| 102 | H | 30.8 | Very low | 32.7 | Very low | 169 Ų | 169 | 153.3 Ų | 153.3 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | trans | -79.2 | 101.6 | 170.4 | -104.4 | -79.1 | 0 | 0 | 0 | 109.7 | ||||
| 103 | H | 32.1 | Very low | 32.7 | Very low | 147 Ų | 147 | 155.1 Ų | 155.1 | 68% | 0.681 | 78% | 0.783 | S | S | * | * | trans | -91.6 | 120.3 | 154.5 | -104.4 | -106.1 | 0 | 0 | 0 | 108.5 | H101 H105 | H101-H103 PolarHBondContact O-N 3.33Å; H103-H105 AromaticContact ND1-NE2 3.84Å | ||
| 104 | N | 31.2 | Very low | 32.6 | Very low | 147 Ų | 147 | 152.5 Ų | 152.5 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -87.1 | 111 | 162.9 | -82 | 7.5 | 0 | 0 | 0 | 107.6 | ||||
| 105 | H | 31.6 | Very low | 32.7 | Very low | 159 Ų | 159 | 148.6 Ų | 148.6 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | -94.3 | 134.7 | 163 | -96.6 | -91.3 | 0 | 0 | 0 | 110.7 | H103 | H103-H105 AromaticContact ND1-NE2 3.84Š| ||
| 106 | H | 35.3 | Very low | 32.7 | Very low | 167 Ų | 167 | 143.2 Ų | 143.2 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -81.9 | 138 | 171.6 | -141.5 | -78.2 | 0 | 0 | 0 | 108.4 | ||||
| 107 | M | 31.1 | Very low | 32.5 | Very low | 178 Ų | 178 | 147 Ų | 147 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | trans | -136.5 | 130.6 | 156.9 | -79.8 | -61.2 | 176.1 | 0 | 0 | 108.2 | ||||
| 108 | A | 34 | Very low | 32.5 | Very low | 92 Ų | 92 | 144.6 Ų | 144.6 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | -107.1 | 144.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 109 | G | 29.3 | Very low | 32.3 | Very low | 73 Ų | 73 | 140.9 Ų | 140.9 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -152.7 | 140.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 110 | H | 32.6 | Very low | 32.2 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 88% | 0.88 | 78% | 0.776 | S | S | * | * | trans | -84.8 | 164.6 | -169.4 | -98.8 | -114.7 | 0 | 0 | 0 | 114 | ||||
| 111 | S | 32.3 | Very low | 32.1 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | trans | -62.5 | 151.9 | 165.5 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 112 | E | 28.5 | Very low | 32 | Very low | 188 Ų | 188 | 135.3 Ų | 135.3 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | -163.1 | -168.7 | 126 | -110.4 | 169.1 | -162.9 | 0 | 0 | 111.8 | |||||
| 113 | V | 32.3 | Very low | 33.1 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | trans | -137.6 | 165.6 | -142.6 | -125.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 114 | V | 31.8 | Very low | 33 | Very low | 126 Ų | 126 | 133 Ų | 133 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | 85.4 | 112 | 144.9 | 157.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 115 | S | 31.5 | Very low | 33.1 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | 84.7 | 117.3 | 131.8 | -76 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 116 | S | 35 | Very low | 33.9 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | 110 | 148 | 108.9 | -78.3 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 117 | Q | 36.5 | Very low | 33.6 | Very low | 181 Ų | 181 | 130.4 Ų | 130.4 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | 71.4 | 145.5 | 160.2 | -76.4 | -177.6 | 12.9 | 0 | 0 | 119.2 | ||||
| 118 | T | 35.3 | Very low | 33.5 | Very low | 135 Ų | 135 | 127.2 Ų | 127.2 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | cis | -162.8 | 153.2 | -34.9 | 4 | 0 | 0 | 0 | 0 | 109 | ||||
| 119 | G | 28.1 | Very low | 33.7 | Very low | 78 Ų | 78 | 129 Ų | 129 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 175.4 | 131.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 120 | A | 32.9 | Very low | 34.5 | Very low | 89 Ų | 89 | 131 Ų | 131 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | -130.7 | 151.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 121 | F | 32.2 | Very low | 34.4 | Very low | 226 Ų | 226 | 132 Ų | 132 | 99% | 0.991 | 79% | 0.789 | S | S | * | * | trans | -174.8 | 157.7 | 139.9 | -88.8 | -57.1 | 0 | 0 | 0 | 110.5 | ||||
| 122 | G | 28.2 | Very low | 34.3 | Very low | 66 Ų | 66 | 132.3 Ų | 132.3 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | trans | 179.7 | -161.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 123 | P | 52.7 | Low | 34.9 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | cis | -130.7 | 174.3 | -15.6 | 41.4 | -27.2 | 0 | 0 | 0 | 113.2 | ||||
| 124 | V | 30.6 | Very low | 35.9 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | -142.6 | 145.8 | 158.8 | -171.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 125 | Q | 34.2 | Very low | 36.2 | Very low | 179 Ų | 179 | 132.3 Ų | 132.3 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -136.4 | 170 | -176.5 | -88.9 | -91.4 | -26.5 | 0 | 0 | 111.1 | ||||
| 126 | P | 47.7 | Very low | 36.1 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | trans | -118.4 | -177.6 | -144.5 | 44.6 | -39.2 | 0 | 0 | 0 | 117.2 | ||||
| 127 | T | 28.1 | Very low | 35.9 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -145 | 157.3 | 165.4 | 50.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 128 | S | 30.8 | Very low | 35.6 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | cis | -166.6 | 152.5 | -21.7 | 47.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 129 | V | 38.2 | Very low | 35.2 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -92.7 | 163.9 | -179.2 | -69 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 130 | P | 45.8 | Very low | 35.2 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | -128.9 | 150.7 | 110.8 | 6.1 | 16.5 | 0 | 0 | 0 | 112.8 | |||||
| 131 | Y | 30.9 | Very low | 35 | Very low | 212 Ų | 212 | 137.5 Ų | 137.5 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | 60.9 | 137.1 | 71.4 | -88.3 | -115.1 | 0 | 0 | 0 | 115.3 | |||||
| 132 | S | 30.2 | Very low | 34.8 | Very low | 102 Ų | 102 | 132 Ų | 132 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | cis | -170.2 | 172.2 | -13.8 | -105.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 133 | M | 41.2 | Very low | 34.7 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 84% | 0.837 | 80% | 0.798 | S | S | * | * | trans | -87.4 | 158.8 | 175.5 | -79.1 | -79 | -163.9 | 0 | 0 | 114.2 | ||||
| 134 | P | 52 | Low | 33.6 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 69% | 0.688 | 80% | 0.803 | S | S | * | * | -134.2 | 155.5 | 115.6 | 10.5 | 12.8 | 0 | 0 | 0 | 113.4 | |||||
| 135 | H | 37.5 | Very low | 33.6 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 78% | 0.778 | 80% | 0.803 | S | S | * | * | 63.1 | 141.1 | 64.8 | -59.9 | -69.8 | 0 | 0 | 0 | 113.8 | |||||
| 136 | T | 31.1 | Very low | 34.3 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | cis | -168.6 | 174.3 | 7.6 | 2.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 137 | A | 29.7 | Very low | 33.5 | Very low | 86 Ų | 86 | 131.8 Ų | 131.8 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | 64.4 | 132 | 154.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 138 | Q | 30.5 | Very low | 33.6 | Very low | 193 Ų | 193 | 134.5 Ų | 134.5 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | 70.7 | 111 | 55.6 | -70.6 | -174.1 | -13.7 | 0 | 0 | 115.9 | |||||
| 139 | A | 27.4 | Very low | 33.5 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | trans | -164.8 | 162.3 | 149.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 140 | L | 26.6 | Very low | 33.1 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -128.1 | 156.5 | -178.9 | -72.2 | 162.4 | 0 | 0 | 0 | 111.2 | ||||
| 141 | S | 29 | Very low | 32.4 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | 123.2 | 143.7 | 139.9 | -53.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 142 | A | 27.9 | Very low | 32.6 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | trans | 64.5 | 142 | 170.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 143 | G | 26.9 | Very low | 33.3 | Very low | 70 Ų | 70 | 138 Ų | 138 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | cis | 175.1 | 148.2 | -10 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 144 | S | 28.8 | Very low | 32.8 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | 71.7 | 145.9 | 168.7 | -64.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 145 | Y | 31.2 | Very low | 31.8 | Very low | 227 Ų | 227 | 135.6 Ų | 135.6 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -94.8 | 173.8 | 179.8 | -91.2 | -85.8 | 0 | 0 | 0 | 110.7 | ||||
| 146 | P | 49.6 | Very low | 31.4 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | cis | -136.2 | -178.8 | 32.6 | 40.2 | -19.8 | 0 | 0 | 0 | 117.2 | ||||
| 147 | G | 30.1 | Very low | 31.5 | Very low | 60 Ų | 60 | 133.1 Ų | 133.1 | 62% | 0.619 | 81% | 0.81 | S | S | * | * | trans | -125.3 | -176.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 148 | H | 30.8 | Very low | 31.7 | Very low | 193 Ų | 193 | 137.5 Ų | 137.5 | 89% | 0.894 | 82% | 0.815 | S | S | * | * | trans | -154.5 | 176.5 | 173.2 | -114.8 | -86.7 | 0 | 0 | 0 | 113.4 | ||||
| 149 | Y | 29.2 | Very low | 31.7 | Very low | 215 Ų | 215 | 134.3 Ų | 134.3 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -82.3 | 138.8 | -169.4 | -81.8 | -119.3 | 0 | 0 | 0 | 115.6 | ||||
| 150 | G | 29.2 | Very low | 32.1 | Very low | 71 Ų | 71 | 135.7 Ų | 135.7 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | 66.6 | -176.3 | 108.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 151 | H | 31.3 | Very low | 32.2 | Very low | 190 Ų | 190 | 135.5 Ų | 135.5 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | trans | 85.1 | 131.8 | 170.3 | -81.9 | -82.2 | 0 | 0 | 0 | 123.3 | ||||
| 152 | H | 34.5 | Very low | 32.2 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | trans | -37.2 | 163.9 | 157.8 | -121.3 | -134.7 | 0 | 0 | 0 | 115.9 | D154 | H152-D154 IonicContact CE1-OD2 3.14Å; H152-D154 IonicContact ND1-OD2 2.65Å | ||
| 153 | P | 46.1 | Very low | 32.2 | Very low | 119 Ų | 119 | 140 Ų | 140 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | -147.8 | 142.1 | 62.9 | 38.5 | -18.6 | 0 | 0 | 0 | 119.9 | |||||
| 154 | D | 29.8 | Very low | 32.2 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | 43.9 | 161.7 | 121.2 | -117.9 | -65.5 | 0 | 0 | 0 | 126.2 | H152 | H152-D154 IonicContact CE1-OD2 3.14Å; H152-D154 IonicContact ND1-OD2 2.65Å | |||
| 155 | A | 30.7 | Very low | 32.2 | Very low | 95 Ų | 95 | 142.7 Ų | 142.7 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | 69.3 | 132.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 156 | G | 29.9 | Very low | 32.1 | Very low | 76 Ų | 76 | 140.2 Ų | 140.2 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | -177 | 20.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 157 | N | 32.9 | Very low | 31.1 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | 61.9 | 151.6 | 165.2 | -82 | -12.2 | 0 | 0 | 0 | 122.4 | ||||
| 158 | H | 32.6 | Very low | 30.9 | Very low | 177 Ų | 177 | 146.3 Ų | 146.3 | 82% | 0.819 | 81% | 0.807 | S | S | * | * | trans | -69.8 | 160.1 | 161.6 | -69.6 | -138.5 | 0 | 0 | 0 | 111.3 | ||||
| 159 | T | 31 | Very low | 31.1 | Very low | 126 Ų | 126 | 144.7 Ų | 144.7 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | 176.7 | 127.4 | 106.8 | -70.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 160 | T | 35.5 | Very low | 31.9 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -86.9 | 134.4 | 164.3 | 49.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 161 | L | 30.2 | Very low | 31.9 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -157.8 | 149.3 | 152.5 | -114.1 | 173 | 0 | 0 | 0 | 112 | ||||
| 162 | F | 27.7 | Very low | 31.8 | Very low | 196 Ų | 196 | 138.6 Ų | 138.6 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -121.9 | 136.5 | 174.6 | -131.4 | -88.7 | 0 | 0 | 0 | 107.1 | ||||
| 163 | S | 28.2 | Very low | 31.4 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -96 | 144.9 | 167.7 | -58 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 164 | G | 26.7 | Very low | 30.6 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | cis | 173.9 | 165 | -5.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 165 | L | 28.6 | Very low | 31.5 | Very low | 183 Ų | 183 | 135.1 Ų | 135.1 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | trans | -141.3 | 149.6 | 172.9 | -101.1 | 169.7 | 0 | 0 | 0 | 109.6 | ||||
| 166 | H | 30.7 | Very low | 31.4 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -146.7 | 112.6 | -155.3 | -153.4 | -79.1 | 0 | 0 | 0 | 113.3 | ||||
| 167 | H | 27.1 | Very low | 31.3 | Very low | 173 Ų | 173 | 134 Ų | 134 | 80% | 0.801 | 81% | 0.81 | S | S | * | * | trans | -159.6 | 122.3 | 159.4 | -110.7 | 49.8 | 0 | 0 | 0 | 108.8 | ||||
| 168 | E | 26 | Very low | 31.4 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 66% | 0.664 | 81% | 0.811 | S | S | * | * | 71.3 | 90.2 | 102.1 | -64.9 | -70.7 | 78.5 | 0 | 0 | 113 | |||||
| 169 | Q | 35.1 | Very low | 31.4 | Very low | 158 Ų | 158 | 130.9 Ų | 130.9 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | 85.7 | 164.2 | 72.8 | -65.8 | -78.1 | 7.3 | 0 | 0 | 112.2 | |||||
| 170 | P | 46.2 | Very low | 31.7 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 65% | 0.649 | 80% | 0.8 | S | S | * | * | -134.3 | 173.9 | -83.6 | 36.2 | -17.2 | 0 | 0 | 0 | 115.4 | |||||
| 171 | S | 28.6 | Very low | 31.5 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | 168.2 | 153.3 | 128.1 | 48.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 172 | S | 30 | Very low | 31.6 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -55.3 | 149.2 | -176.8 | 50.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 173 | G | 25.9 | Very low | 31.9 | Very low | 80 Ų | 80 | 127.8 Ų | 127.8 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | 165.4 | 113.4 | 155 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 174 | S | 29 | Very low | 32.2 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -97.9 | -173.3 | 170 | -40.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 175 | P | 48.5 | Very low | 32.5 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | cis | -132.8 | -176.2 | -11.8 | 41.2 | -24.5 | 0 | 0 | 0 | 113.9 | ||||
| 176 | G | 28.4 | Very low | 32.7 | Very low | 82 Ų | 82 | 133.4 Ų | 133.4 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | 163.3 | 159 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 177 | G | 28.5 | Very low | 32.6 | Very low | 66 Ų | 66 | 128.3 Ų | 128.3 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | trans | -173.6 | -174.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 178 | Q | 35.5 | Very low | 32.9 | Very low | 194 Ų | 194 | 128.2 Ų | 128.2 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | trans | 74.5 | 149 | -172.2 | -49.2 | -178.2 | 45.2 | 0 | 0 | 113.5 | ||||
| 179 | S | 31.8 | Very low | 34.2 | Very low | 84 Ų | 84 | 127.5 Ų | 127.5 | 59% | 0.587 | 79% | 0.786 | S | S | * | * | cis | -151.9 | 137.1 | 4.3 | -127.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 180 | L | 37.1 | Very low | 33.9 | Very low | 147 Ų | 147 | 123.7 Ų | 123.7 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | 44.7 | 129.1 | 127.2 | -57.7 | 175.6 | 0 | 0 | 0 | 123 | |||||
| 181 | N | 32.2 | Very low | 33.2 | Very low | 164 Ų | 164 | 127.4 Ų | 127.4 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | -177.1 | 127.2 | 108.4 | -97.6 | -45.6 | 0 | 0 | 0 | 115.2 | |||||
| 182 | G | 31.6 | Very low | 33.3 | Very low | 70 Ų | 70 | 128.1 Ų | 128.1 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 57.8 | 150.5 | 152.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 183 | Q | 33.9 | Very low | 33.3 | Very low | 174 Ų | 174 | 131.8 Ų | 131.8 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | cis | -161.2 | 148 | -8.9 | -111.1 | 175.4 | -91.5 | 0 | 0 | 109.8 | ||||
| 184 | I | 35.9 | Very low | 33.4 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | trans | 53.6 | 110.1 | 143.4 | -59.3 | 176.5 | 0 | 0 | 0 | 117.6 | ||||
| 185 | R | 33 | Very low | 33.3 | Very low | 217 Ų | 217 | 139.4 Ų | 139.4 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | 54.5 | 146.5 | 88.3 | -78.3 | -164 | 151.5 | -154.3 | -3.5 | 114.8 | |||||
| 186 | L | 32.1 | Very low | 32.5 | Very low | 145 Ų | 145 | 137.5 Ų | 137.5 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | cis | -165.4 | 171 | 0.1 | -120.2 | 178.4 | 0 | 0 | 0 | 108.1 | ||||
| 187 | G | 28.6 | Very low | 32.6 | Very low | 69 Ų | 69 | 140.1 Ų | 140.1 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 126.3 | 117.9 | 145.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 188 | L | 33.1 | Very low | 32.8 | Very low | 170 Ų | 170 | 144.7 Ų | 144.7 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | trans | -117.1 | -171.5 | 161.1 | -68.7 | 168.5 | 0 | 0 | 0 | 107.3 | ||||
| 189 | P | 53 | Low | 32.4 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | -122 | -164.8 | -63 | 37.9 | -22.7 | 0 | 0 | 0 | 110.9 | |||||
| 190 | G | 29.5 | Very low | 32.2 | Very low | 77 Ų | 77 | 142.2 Ų | 142.2 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -164.1 | 153.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 191 | E | 31.4 | Very low | 31.9 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | -122.4 | 161.1 | -169.6 | -73.2 | -160.4 | 139.4 | 0 | 0 | 115.3 | ||||
| 192 | M | 29.9 | Very low | 31.7 | Very low | 137 Ų | 137 | 143 Ų | 143 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | trans | 79.2 | 150.6 | 138.5 | -79.6 | -99.4 | -97.7 | 0 | 0 | 122.8 | ||||
| 193 | Y | 29.7 | Very low | 31.6 | Very low | 203 Ų | 203 | 144.3 Ų | 144.3 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | 61.5 | 124.7 | 165.5 | -75.2 | -70.1 | 0 | 0 | 0 | 121.4 | ||||
| 194 | V | 28.2 | Very low | 31.3 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | 177.7 | 157.3 | 105.3 | 152.5 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 195 | R | 27.5 | Very low | 31.1 | Very low | 221 Ų | 221 | 141.4 Ų | 141.4 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | -102 | 171.2 | 175.2 | -79.5 | 177.7 | 61.9 | 160 | 0 | 112 | ||||
| 196 | S | 30.7 | Very low | 31.1 | Very low | 87 Ų | 87 | 143.1 Ų | 143.1 | 61% | 0.608 | 79% | 0.792 | S | S | * | * | trans | 103.7 | 110.2 | 142.3 | -78.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 197 | D | 31.6 | Very low | 31 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | 83 | 113.7 | 116.5 | -67.3 | -54 | 0 | 0 | 0 | 122.7 | |||||
| 198 | H | 31.8 | Very low | 31.2 | Very low | 162 Ų | 162 | 145.2 Ų | 145.2 | 75% | 0.75 | 80% | 0.801 | S | S | * | * | 96 | 162.7 | 122.6 | -156.3 | -96.9 | 0 | 0 | 0 | 120.4 | |||||
| 199 | L | 28 | Very low | 31.8 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | trans | 69.3 | 97.6 | 176.7 | -128.4 | 65 | 0 | 0 | 0 | 115.3 | ||||
| 200 | S | 27.8 | Very low | 30.6 | Very low | 94 Ų | 94 | 146 Ų | 146 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | 63.1 | 118.1 | 73.2 | -55.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 201 | Q | 30.2 | Very low | 30.5 | Very low | 190 Ų | 190 | 147.7 Ų | 147.7 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | -171.2 | 166.5 | 112 | -103.6 | 178.8 | 22.8 | 0 | 0 | 115.4 | |||||
| 202 | V | 28.3 | Very low | 30.3 | Very low | 137 Ų | 137 | 143.1 Ų | 143.1 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | -84.9 | 142.6 | -168.8 | -166.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 203 | A | 29.1 | Very low | 30.3 | Very low | 99 Ų | 99 | 141.8 Ų | 141.8 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -158.8 | 146.8 | 143.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 204 | S | 29 | Very low | 30.9 | Very low | 122 Ų | 122 | 137.9 Ų | 137.9 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -119.6 | 139 | 170.1 | -64.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 205 | S | 30.3 | Very low | 31 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | trans | -152.8 | 147.7 | 159.9 | 50.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 206 | R | 33.4 | Very low | 31.2 | Very low | 253 Ų | 253 | 136.5 Ų | 136.5 | 96% | 0.955 | 79% | 0.789 | S | S | * | * | trans | -93.7 | 133.8 | 178.5 | -75.6 | 170.6 | 158.3 | 152.1 | -9 | 110.1 | ||||
| 207 | A | 30.2 | Very low | 31.1 | Very low | 98 Ų | 98 | 135.2 Ų | 135.2 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -164.8 | 108.4 | 149.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 208 | D | 32.8 | Very low | 31.1 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -73.8 | 150.3 | 138.1 | -75.1 | -66.8 | 0 | 0 | 0 | 106.9 | ||||
| 209 | P | 45.5 | Very low | 30.9 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | cis | -151.4 | -175.3 | 46.9 | 37.4 | -14.2 | 0 | 0 | 0 | 118.3 | ||||
| 210 | F | 28.3 | Very low | 31.1 | Very low | 205 Ų | 205 | 133.6 Ų | 133.6 | 90% | 0.899 | 81% | 0.807 | S | S | * | * | trans | 82.7 | 140.6 | 158.9 | -91.1 | -84.6 | 0 | 0 | 0 | 121.6 | ||||
| 211 | S | 27.1 | Very low | 31.4 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | 95.4 | 116.5 | 150.4 | -148.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 212 | A | 27.1 | Very low | 31.4 | Very low | 84 Ų | 84 | 135 Ų | 135 | 69% | 0.694 | 81% | 0.812 | S | S | * | * | trans | 27.2 | 126.4 | 147 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 213 | S | 29.7 | Very low | 31.8 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | -172.3 | 156.4 | 68.8 | -67 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 214 | P | 42.8 | Very low | 31.8 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -97.8 | 124.3 | 176.9 | 35.2 | -29.7 | 0 | 0 | 0 | 113.3 | ||||
| 215 | L | 29.8 | Very low | 32.1 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -144.1 | 129.7 | 170.1 | -78.3 | -179.4 | 0 | 0 | 0 | 112.9 | ||||
| 216 | H | 32.6 | Very low | 31.9 | Very low | 183 Ų | 183 | 140.4 Ų | 140.4 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | 54.1 | 141.5 | 163.9 | -56.6 | 107 | 0 | 0 | 0 | 119.7 | ||||
| 217 | G | 27.7 | Very low | 32 | Very low | 61 Ų | 61 | 136.3 Ų | 136.3 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | cis | 148.9 | 94.6 | -7.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 218 | Y | 30.8 | Very low | 31.9 | Very low | 246 Ų | 246 | 134.5 Ų | 134.5 | 97% | 0.965 | 79% | 0.786 | S | S | * | * | trans | -130.8 | 135 | 163.3 | -90.1 | -81.7 | 0 | 0 | 0 | 110.7 | ||||
| 219 | G | 29.4 | Very low | 32 | Very low | 76 Ų | 76 | 131.6 Ų | 131.6 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | trans | -73.5 | 129.1 | -160.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 220 | G | 30.9 | Very low | 31.3 | Very low | 75 Ų | 75 | 134.9 Ų | 134.9 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -70.2 | 130.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111 | N222 | G220-N222 PolarHBondContact O-N 3.33Š| ||
| 221 | L | 35.4 | Very low | 31.7 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -68.8 | 92.1 | 178.7 | -70.8 | 171.7 | 0 | 0 | 0 | 111.4 | L223 | L221-L223 PolarHBondContact O-N 3.49Å; L221-L223 VanDerWaalsContact O-N 3.11Å | ||
| 222 | N | 29.9 | Very low | 32 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -73.1 | 97.9 | 176.2 | -173.3 | -6.5 | 0 | 0 | 0 | 110.9 | G220 N224 | G220-N222 PolarHBondContact O-N 3.33Å; N222-N224 PolarHBondContact O-N 2.94Å; N222-N224 PolarHBondContact OD1-N 3.12Å | ||
| 223 | L | 36.3 | Very low | 32.5 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -79.5 | 66.2 | 173.8 | -74 | 173.1 | 0 | 0 | 0 | 111.6 | L221 M225 | L221-L223 PolarHBondContact O-N 3.49Å; L221-L223 VanDerWaalsContact O-N 3.11Å; L223-M225 PolarHBondContact O-N 2.75Å; L223-M225 VanDerWaalsContact O-N 3.16Å | ||
| 224 | N | 28 | Very low | 32.7 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 65% | 0.652 | 80% | 0.803 | S | S | * | * | trans | -66.5 | 106.5 | 170.5 | -177.9 | 23.4 | 0 | 0 | 0 | 110.5 | N222 N226 | N222-N224 PolarHBondContact O-N 2.94Å; N222-N224 PolarHBondContact OD1-N 3.12Å; N224-N226 PolarHBondContact O-N 3.17Å | ||
| 225 | M | 35.3 | Very low | 32.4 | Very low | 183 Ų | 183 | 147.1 Ų | 147.1 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | trans | -84.1 | 86 | 169.4 | -77.6 | -166.5 | 165.8 | 0 | 0 | 110 | L223 L227 | L223-M225 PolarHBondContact O-N 2.75Å; L223-M225 VanDerWaalsContact O-N 3.16Å; M225-L227 PolarHBondContact O-N 3.11Å | ||
| 226 | N | 27.8 | Very low | 32.8 | Very low | 132 Ų | 132 | 148.1 Ų | 148.1 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | -66.4 | 116.6 | 174.2 | -172.1 | 4.6 | 0 | 0 | 0 | 110.7 | N224 G228 | N224-N226 PolarHBondContact O-N 3.17Å; N226-G228 PolarHBondContact OD1-N 2.99Å | ||
| 227 | L | 35.3 | Very low | 33.7 | Very low | 168 Ų | 168 | 144.5 Ų | 144.5 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | -112.6 | 76.1 | 170.3 | -171.7 | 71.6 | 0 | 0 | 0 | 108.5 | M225 A229 | M225-L227 PolarHBondContact O-N 3.11Å; L227-A229 PolarHBondContact O-N 2.74Å | ||
| 228 | G | 27.9 | Very low | 34.1 | Very low | 60 Ų | 60 | 149.7 Ų | 149.7 | 62% | 0.619 | 80% | 0.799 | S | S | * | * | trans | -70.8 | 110.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N226 | N226-G228 PolarHBondContact OD1-N 2.99Š| ||
| 229 | A | 33.7 | Very low | 34.5 | Very low | 98 Ų | 98 | 146.1 Ų | 146.1 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -117.9 | 100.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | L227 H231 | L227-A229 PolarHBondContact O-N 2.74Å; A229-H231 PolarHBondContact O-N 3.13Å | ||
| 230 | H | 31.8 | Very low | 35.2 | Very low | 180 Ų | 180 | 148.2 Ų | 148.2 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | trans | -81.1 | 114.8 | -179.4 | -81.5 | -91.7 | 0 | 0 | 0 | 111.2 | ||||
| 231 | H | 35.8 | Very low | 35.5 | Very low | 191 Ų | 191 | 152.8 Ų | 152.8 | 88% | 0.884 | 79% | 0.791 | S | S | * | * | trans | -137.5 | 151.2 | 155 | -104.4 | 35.9 | 0 | 0 | 0 | 109.3 | A229 | A229-H231 PolarHBondContact O-N 3.13Š| ||
| 232 | H | 34.8 | Very low | 36 | Very low | 196 Ų | 196 | 152.4 Ų | 152.4 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | trans | -76.7 | 155.3 | -163 | -89.2 | -105.4 | 0 | 0 | 0 | 114.6 | ||||
| 233 | H | 35.9 | Very low | 36.4 | Very low | 155 Ų | 155 | 154.2 Ų | 154.2 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | trans | -59.1 | 146 | 169.5 | -86.9 | -69.2 | 0 | 0 | 0 | 112.7 | H235 | H233-H235 AromaticContact ND1-CD2 3.9Š| ||
| 234 | H | 35.8 | Very low | 36.8 | Very low | 194 Ų | 194 | 154.8 Ų | 154.8 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | -139.8 | 142.6 | 125.4 | -113.8 | -88.3 | 0 | 0 | 0 | 109.5 | |||||
| 235 | H | 34.8 | Very low | 37.5 | Very low | 150 Ų | 150 | 152.7 Ų | 152.7 | 69% | 0.694 | 79% | 0.793 | S | S | * | * | trans | -102.1 | 135.5 | -179.9 | -111.8 | -94.8 | 0 | 0 | 0 | 110.3 | H233 | H233-H235 AromaticContact ND1-CD2 3.9Š| ||
| 236 | H | 39.4 | Very low | 37.5 | Very low | 167 Ų | 167 | 146.4 Ų | 146.4 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -151.2 | 132 | 158.2 | -123.3 | -88.9 | 0 | 0 | 0 | 109.7 | ||||
| 237 | P | 50.9 | Low | 38.5 | Very low | 108 Ų | 108 | 145.5 Ų | 145.5 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -100.8 | 118.8 | -173.8 | 34.8 | -30.2 | 0 | 0 | 0 | 113 | ||||
| 238 | H | 36 | Very low | 38.8 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 79% | 0.787 | 76% | 0.758 | S | S | * | * | trans | -140.9 | 129.3 | 164.2 | -82.6 | -81.3 | 0 | 0 | 0 | 112.5 | ||||
| 239 | H | 39.8 | Very low | 39.5 | Very low | 171 Ų | 171 | 140.3 Ų | 140.3 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | 23 | 133.5 | 164 | -95.7 | -103 | 0 | 0 | 0 | 122.5 | ||||
| 240 | P | 43.4 | Very low | 40 | Very low | 119 Ų | 119 | 142 Ų | 142 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 123.1 | 172.7 | 32.8 | -32.8 | 0 | 0 | 0 | 112.3 | ||
| 241 | H | 37.7 | Very low | 40.7 | Very low | 171 Ų | 171 | 140.9 Ų | 140.9 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 133.5 | 161.3 | -99.3 | -97.3 | 0 | 0 | 0 | 110.8 | H243 | H241-H243 PolarHBondContact O-N 2.82Š|
| 242 | H | 46.3 | Very low | 41.2 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 117.9 | 174.9 | -102.6 | -104.5 | 0 | 0 | 0 | 110.9 | H244 | H242-H244 AromaticContact CE1-NE2 3.9Å; H242-H244 AromaticContact ND1-CD2 3.76Å; H242-H244 AromaticContact ND1-NE2 3.37Å; H242-H244 PolarHBondContact ND1-NE2 2.6Å |
| 243 | H | 37.6 | Very low | 41.5 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 83% | 0.833 | 73% | 0.732 | S | S | * | * | trans | -128.8 | 105.9 | 159.4 | -96.7 | -80.2 | 0 | 0 | 0 | 110.9 | H241 G245 | H241-H243 PolarHBondContact O-N 2.82Å; H243-G245 PolarHBondContact O-N 3.04Å | ||
| 244 | H | 45.5 | Very low | 42 | Very low | 173 Ų | 173 | 142.1 Ų | 142.1 | 80% | 0.801 | 73% | 0.731 | S | S | * | * | trans | -73.9 | 111.6 | 167 | -74.5 | -105.4 | 0 | 0 | 0 | 109 | H242 | H242-H244 AromaticContact CE1-NE2 3.9Å; H242-H244 AromaticContact ND1-CD2 3.76Å; H242-H244 AromaticContact ND1-NE2 3.37Å; H242-H244 PolarHBondContact ND1-NE2 2.6Å | ||
| 245 | G | 42.7 | Very low | 42.4 | Very low | 77 Ų | 77 | 142.8 Ų | 142.8 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | trans | -174.1 | 4.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | H243 | H243-G245 PolarHBondContact O-N 3.04Š| ||
| 246 | G | 34.9 | Very low | 42.5 | Very low | 52 Ų | 52 | 144 Ų | 144 | 54% | 0.536 | 73% | 0.732 | S | S | . | * | trans | -80.4 | 148.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | G248 A249 | G246-G248 PolarHBondContact O-N 3.22Å; G246-A249 PolarHBondContact O-N 3.09Å | ||
| 247 | P | 48.1 | Very low | 42.7 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -65.4 | -4.2 | -176.4 | 25.8 | -35 | 0 | 0 | 0 | 115.4 | A249 F250 | P247-A249 PolarHBondContact O-N 2.89Å; P247-F250 PolarHBondContact O-N 3.01Å |
| 248 | G | 41.4 | Very low | 42.7 | Very low | 48 Ų | 48 | 143.3 Ų | 143.3 | 50% | 0.495 | 73% | 0.732 | S | S | . | * | G | 310 helix | trans | -61 | -18.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | G246 | G246-G248 PolarHBondContact O-N 3.22Š|
| 249 | A | 42.7 | Very low | 43.4 | Very low | 72 Ų | 72 | 143.7 Ų | 143.7 | 60% | 0.595 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -63.6 | -39.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G246 P247 F251 R252 | G246-A249 PolarHBondContact O-N 3.09Å; P247-A249 PolarHBondContact O-N 2.89Å; A249-F251 VanDerWaalsContact C-N 3.28Å; A249-F251 PolarHBondContact O-N 2.88Å; A249-R252 PolarHBondContact O-N 3.14Å; A249-R252 VanDerWaalsContact O-N 3.12Å |
| 250 | F | 44.8 | Very low | 44.5 | Very low | 134 Ų | 134 | 141 Ų | 141 | 59% | 0.588 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -65.9 | -31.9 | -174.7 | -157.6 | -93.8 | 0 | 0 | 0 | 112.6 | P247 R252 M254 | P247-F250 PolarHBondContact O-N 3.01Å; F250-R252 VanDerWaalsContact C-N 3.25Å; F250-R252 PolarHBondContact O-N 3.5Å; F250-M254 HydrophobicContact CE1-CG 4.5Å |
| 251 | F | 46.3 | Very low | 46.2 | Very low | 155 Ų | 155 | 141.7 Ų | 141.7 | 68% | 0.68 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -72.6 | -11.5 | 177.5 | -69.1 | -78.9 | 0 | 0 | 0 | 114.3 | A249 R255 | A249-F251 VanDerWaalsContact C-N 3.28Å; A249-F251 PolarHBondContact O-N 2.88Å; F251-R255 WeakPolarHBondContact O-CB 3.16Å |
| 252 | R | 47.1 | Very low | 48.3 | Very low | 213 Ų | 213 | 133.8 Ų | 133.8 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -80.9 | -34.8 | 177.2 | -71.7 | -176.9 | 168.9 | 174 | -3.8 | 112.8 | A249 F250 | A249-R252 PolarHBondContact O-N 3.14Å; A249-R252 VanDerWaalsContact O-N 3.12Å; F250-R252 VanDerWaalsContact C-N 3.25Å; F250-R252 PolarHBondContact O-N 3.5Å |
| 253 | Y | 41 | Very low | 50.1 | Low | 212 Ų | 212 | 130.1 Ų | 130.1 | 83% | 0.831 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -81.7 | -29.2 | -178.3 | -107.7 | -86.8 | 0 | 0 | 0 | 114.2 | R255 | Y253-R255 PolarHBondContact O-N 3.38Å |
| 254 | M | 45.7 | Very low | 52.4 | Low | 143 Ų | 143 | 121.5 Ų | 121.5 | 70% | 0.704 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 22 | 175.1 | -68.3 | -69.9 | -72.5 | 0 | 0 | 113.2 | F250 | F250-M254 HydrophobicContact CE1-CG 4.5Š|
| 255 | R | 45 | Very low | 54.2 | Low | 209 Ų | 209 | 116.9 Ų | 116.9 | 79% | 0.789 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.9 | 22.7 | -174.7 | -146 | -168.6 | -150.6 | -154.2 | 8.7 | 114.5 | F251 Y253 P257 | F251-R255 WeakPolarHBondContact O-CB 3.16Å; Y253-R255 PolarHBondContact O-N 3.38Å; R255-P257 WeakPolarHBondContact O-CD 3.48Å |
| 256 | Q | 37.1 | Very low | 56.2 | Low | 175 Ų | 175 | 113.4 Ų | 113.4 | 82% | 0.818 | 56% | 0.561 | S | S | * | * | trans | -79.5 | 108.2 | 150.8 | -73.4 | -172.7 | -9.4 | 0 | 0 | 107.5 | I258 | Q256-I258 PolarHBondContact O-N 3.27Å; Q256-I258 VanDerWaalsContact O-N 3.11Å | ||
| 257 | P | 43.7 | Very low | 58.4 | Low | 107 Ų | 107 | 113 Ų | 113 | 70% | 0.695 | 55% | 0.547 | S | S | * | . | trans | -66.4 | 111.6 | 163.6 | 28.8 | -31.5 | 0 | 0 | 0 | 107.4 | R255 K259 | R255-P257 WeakPolarHBondContact O-CD 3.48Å; P257-K259 PolarHBondContact O-N 3.12Å; P257-K259 VanDerWaalsContact O-N 3.07Å | ||
| 258 | I | 49.4 | Very low | 59.6 | Low | 153 Ų | 153 | 110 Ų | 110 | 79% | 0.785 | 52% | 0.523 | S | S | * | . | trans | -52 | 116.9 | 146.1 | -60.4 | 172.8 | 0 | 0 | 0 | 104.1 | Q256 Q260 | Q256-I258 PolarHBondContact O-N 3.27Å; Q256-I258 VanDerWaalsContact O-N 3.11Å; I258-Q260 PolarHBondContact O-N 3.18Å | ||
| 259 | K | 52 | Low | 60.6 | Low | 179 Ų | 179 | 111.9 Ų | 111.9 | 78% | 0.778 | 53% | 0.527 | S | S | * | . | trans | -68.8 | 82.4 | -179.9 | -68.5 | -175.8 | -179.9 | -178.6 | 0 | 108.4 | P257 E261 | P257-K259 PolarHBondContact O-N 3.12Å; P257-K259 VanDerWaalsContact O-N 3.07Å; K259-E261 VanDerWaalsContact C-N 3.29Å; K259-E261 PolarHBondContact O-N 3.02Å | ||
| 260 | Q | 63 | Low | 61.3 | Low | 113 Ų | 113 | 116.4 Ų | 116.4 | 53% | 0.528 | 54% | 0.535 | S | S | . | . | trans | -68.8 | 94.2 | 165.7 | -74.5 | -159.9 | -112.6 | 0 | 0 | 106.9 | I258 L262 | I258-Q260 PolarHBondContact O-N 3.18Å; Q260-L262 HydrophobicContact CB-CD2 4.12Å; Q260-L262 WeakPolarHBondContact O-CD2 3.22Å; Q260-L262 WeakPolarHBondContact O-CG 3.46Å; Q260-L262 PolarHBondContact O-N 2.65Å; Q260-L262 VanDerWaalsContact O-N 3.09Å | ||
| 261 | E | 77.9 | Confident | 61.6 | Low | 135 Ų | 135 | 115 Ų | 115 | 63% | 0.631 | 53% | 0.53 | S | S | * | . | trans | -64.6 | 110.1 | 173.9 | -62.6 | -175.4 | 166.2 | 0 | 0 | 108.3 | K259 I263 | K259-E261 VanDerWaalsContact C-N 3.29Å; K259-E261 PolarHBondContact O-N 3.02Å; E261-I263 PolarHBondContact O-N 3.28Å; E261-I263 VanDerWaalsContact O-N 3.14Å | ||
| 262 | L | 82.9 | Confident | 61.6 | Low | 5 Ų | 5 | 113.3 Ų | 113.3 | 3% | 0.026 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 94.7 | -173.7 | -53.7 | -177 | 0 | 0 | 0 | 108.6 | Q260 Y281 T283 M284 L287 E334 | Q260-L262 HydrophobicContact CB-CD2 4.12Å; Q260-L262 WeakPolarHBondContact O-CD2 3.22Å; Q260-L262 WeakPolarHBondContact O-CG 3.46Å; Q260-L262 PolarHBondContact O-N 2.65Å; Q260-L262 VanDerWaalsContact O-N 3.09Å; L262-Y281 PolarHBondContact N-O 3.4Å; L262-Y281 PolarHBondContact O-N 3.31Å; L262-T283 VanDerWaalsContact CD1-C 3.44Å; L262-M284 HydrophobicContact CD1-CB 4.31Å; L262-M284 VanDerWaalsContact CD1-N 3.29Å; L262-L287 HydrophobicContact CB-CD2 3.75Å; L262-E334 WeakPolarHBondContact CD1-OE2 3.41Å; L262-E334 HydrophobicContact CD2-CG 3.75Å |
| 263 | I | 84.3 | Confident | 62.2 | Low | 85 Ų | 85 | 108.5 Ų | 108.5 | 44% | 0.436 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 122 | -179.1 | -37.5 | -173.2 | 0 | 0 | 0 | 109.1 | E261 T280 W308 | E261-I263 PolarHBondContact O-N 3.28Å; E261-I263 VanDerWaalsContact O-N 3.14Å; I263-T280 HydrophobicContact CG1-CG2 4.23Å; I263-T280 HydrophobicContact CG2-CG2 4.28Å; I263-W308 WeakPolarHBondContact O-CH2 3.34Å; I263-W308 WeakPolarHBondContact O-CZ2 3.49Å |
| 264 | C | 85.2 | Confident | 63.2 | Low | 0 Ų | 0 | 106.1 Ų | 106.1 | 0% | 0 | 53% | 0.528 | C | S | . | . | trans | -64.2 | 141.8 | 163 | -162.9 | 0 | 0 | 0 | 0 | 109.2 | C277 S278 K279 Y281 L287 H290 | C264-C277 CarbonylContact C-O 3.23Å; C264-C277 VanDerWaalsContact C-O 3.23Å; C264-S278 WeakPolarHBondContact O-CA 3.23Å; C264-K279 WeakPolarHBondContact CB-O 3.21Å; C264-K279 PolarHBondContact N-O 3.11Å; C264-Y281 HydrophobicContact CB-CE2 4.42Å; C264-L287 HydrophobicContact CB-CD1 3.71Å; C264-H290 PolarHBondContact SG-NE2 3.18Å; C264-H290 VanDerWaalsContact SG-NE2 3.36Å | ||
| 265 | K | 84.2 | Confident | 64.5 | Low | 76 Ų | 76 | 104.5 Ų | 104.5 | 33% | 0.33 | 52% | 0.517 | S | S | . | . | trans | -138.7 | 53.5 | 170.2 | -67.3 | 177.5 | 148.6 | -129.9 | 0 | 109.8 | L276 C277 W308 E309 | K265-L276 HydrophobicContact CB-CD1 4.15Å; K265-C277 WeakPolarHBondContact CA-O 3.33Å; K265-W308 HydrophobicContact CB-CD2 4.38Å; K265-W308 HydrophobicContact CB-CZ2 3.96Å; K265-W308 HydrophobicContact CG-CZ2 4.42Å; K265-W308 WeakPolarHBondContact O-CA 3.32Å; K265-E309 HydrophobicContact CB-CB 4.24Å; K265-E309 WeakPolarHBondContact CD-OE2 3.37Å; K265-E309 WeakPolarHBondContact CE-OE2 3.39Å; K265-E309 IonicContact NZ-OE2 2.71Å; K265-E309 PolarHBondContact NZ-OE2 3.42Å; K265-E309 PolarHBondContact O-N 2.98Å | ||
| 266 | W | 82.9 | Confident | 66.2 | Low | 3 Ų | 3 | 98 Ų | 98 | 1% | 0.011 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 136.1 | -178.3 | -163.6 | -79.8 | 0 | 0 | 0 | 110.8 | L276 C277 V291 H295 V296 I305 C306 F307 W308 | W266-L276 WeakPolarHBondContact O-CA 3.16Å; W266-C277 HydrophobicContact CB-CB 4.38Å; W266-C277 PolarHBondContact O-N 3.33Å; W266-V291 HydrophobicContact CD2-CG1 4.37Å; W266-V291 HydrophobicContact CE3-CG1 3.61Å; W266-V291 HydrophobicContact CE3-CG2 4.41Å; W266-V291 HydrophobicContact CH2-CG1 3.89Å; W266-V291 HydrophobicContact CZ3-CG1 3.34Å; W266-H295 AromaticContact CD1-CD2 3.92Å; W266-H295 AromaticContact CD1-CG 3.59Å; W266-H295 AromaticContact CD1-ND1 4Å; W266-H295 HydrophobicContact CD2-CB 3.95Å; W266-H295 HydrophobicContact CG-CB 3.89Å; W266-H295 AromaticContact CG-CD2 3.67Å; W266-H295 AromaticContact CG-CG 3.78Å; W266-H295 HydrophobicContact CZ2-CB 4.26Å; W266-V296 HydrophobicContact CH2-CG2 3.54Å; W266-V296 HydrophobicContact CZ2-CG2 3.78Å; W266-V296 HydrophobicContact CZ3-CG2 4.46Å; W266-I305 VanDerWaalsContact CH2-O 3.29Å; W266-I305 WeakPolarHBondContact CH2-O 3.28Å; W266-C306 HydrophobicContact CH2-CB 4.41Å; W266-F307 HydrophobicContact CZ2-CB 4.27Å; W266-F307 AromaticContact CZ2-CD2 3.93Å; W266-F307 HydrophobicContact CZ2-CD2 3.93Å; W266-F307 AromaticContact NE1-CD2 3.93Å; W266-W308 HydrophobicContact CE3-CE3 4.16Å |
| 267 | L | 82.7 | Confident | 68.4 | Low | 45 Ų | 45 | 90.1 Ų | 90.1 | 24% | 0.236 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 128.5 | 174.3 | -78.2 | 75.5 | 0 | 0 | 0 | 110.4 | P269 K274 L276 F307 E309 | L267-P269 WeakPolarHBondContact O-CD 3.41Å; L267-K274 HydrophobicContact CD2-CD 4.18Å; L267-L276 HydrophobicContact CD1-CD1 3.63Å; L267-L276 HydrophobicContact CG-CD1 4.28Å; L267-F307 PolarHBondContact N-O 2.85Å; L267-E309 VanDerWaalsContact CD1-CA 3.4Å; L267-E309 HydrophobicContact CD1-CB 3.7Å; L267-E309 HydrophobicContact CD1-CG 4.19Å |
| 268 | E | 72.5 | Confident | 70.3 | Confident | 49 Ų | 49 | 88.9 Ų | 88.9 | 23% | 0.229 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 118.7 | 167.9 | -65.8 | 172.3 | -174.2 | 0 | 0 | 109 | K275 H295 | E268-K275 HydrophobicContact CB-CB 4.25Å; E268-K275 HydrophobicContact CG-CB 4.45Å; E268-K275 PolarHBondContact N-O 2.71Å; E268-K275 WeakPolarHBondContact OE2-CB 3.31Å; E268-K275 WeakPolarHBondContact OE2-CD 3.47Å; E268-H295 IonicContact OE1-CE1 2.67Å; E268-H295 IonicContact OE1-ND1 3.07Å; E268-H295 IonicContact OE1-NE2 3.02Å; E268-H295 PolarHBondContact OE1-NE2 3.45Å |
| 269 | P | 62 | Low | 72 | Confident | 87 Ų | 87 | 86 Ų | 86 | 57% | 0.565 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -79.7 | -25.8 | -174.6 | 30.2 | -34.2 | 0 | 0 | 0 | 113.9 | L267 H271 | L267-P269 WeakPolarHBondContact O-CD 3.41Å; P269-H271 VanDerWaalsContact C-N 3.35Å; P269-H271 PolarHBondContact O-N 3.46Å |
| 270 | E | 57.8 | Low | 73.5 | Confident | 166 Ų | 166 | 81.5 Ų | 81.5 | 78% | 0.776 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -77.2 | -10.3 | -168.2 | -68.8 | -66.9 | 106.1 | 0 | 0 | 115.3 | ||
| 271 | H | 51.7 | Low | 74.6 | Confident | 104 Ų | 104 | 78.3 Ų | 78.3 | 48% | 0.481 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -128.7 | 132.1 | -171.6 | -69.1 | 83.8 | 0 | 0 | 0 | 112.5 | P269 P273 K274 | P269-H271 VanDerWaalsContact C-N 3.35Å; P269-H271 PolarHBondContact O-N 3.46Å; H271-P273 CarbonylContact O-C 3.58Å; H271-P273 VanDerWaalsContact O-O 3.11Å; H271-K274 WeakPolarHBondContact O-CA 3.44Å; H271-K274 PolarHBondContact O-N 3.49Å |
| 272 | S | 46.2 | Very low | 74.7 | Confident | 121 Ų | 121 | 76.4 Ų | 76.4 | 85% | 0.846 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -91.7 | 132.8 | 163.4 | 52 | 0 | 0 | 0 | 0 | 110 | ||
| 273 | P | 59 | Low | 74.7 | Confident | 111 Ų | 111 | 79 Ų | 79 | 72% | 0.721 | 43% | 0.426 | S | S | * | . | S | Bend | cis | -69.8 | 151.9 | -11.2 | 32.6 | -35.9 | 0 | 0 | 0 | 112.1 | H271 K275 | H271-P273 CarbonylContact O-C 3.58Å; H271-P273 VanDerWaalsContact O-O 3.11Å; P273-K275 PolarHBondContact O-N 3.24Å |
| 274 | K | 61.9 | Low | 74.5 | Confident | 162 Ų | 162 | 75.7 Ų | 75.7 | 70% | 0.704 | 41% | 0.409 | S | S | * | . | trans | -50.5 | 107.5 | 178.1 | -66.7 | 174.1 | 174.5 | -175.6 | 0 | 110.6 | L267 H271 L276 | L267-K274 HydrophobicContact CD2-CD 4.18Å; H271-K274 WeakPolarHBondContact O-CA 3.44Å; H271-K274 PolarHBondContact O-N 3.49Å; K274-L276 PolarHBondContact O-N 3.42Å | ||
| 275 | K | 74.1 | Confident | 74.3 | Confident | 109 Ų | 109 | 82.1 Ų | 82.1 | 47% | 0.474 | 44% | 0.439 | S | S | . | . | trans | -75.9 | 117.4 | 177.1 | -69.6 | 174.6 | -177.4 | 169.1 | 0 | 109 | E268 P273 | E268-K275 HydrophobicContact CB-CB 4.25Å; E268-K275 HydrophobicContact CG-CB 4.45Å; E268-K275 PolarHBondContact N-O 2.71Å; E268-K275 WeakPolarHBondContact OE2-CB 3.31Å; E268-K275 WeakPolarHBondContact OE2-CD 3.47Å; P273-K275 PolarHBondContact O-N 3.24Å | ||
| 276 | L | 80.7 | Confident | 74.3 | Confident | 72 Ų | 72 | 81.9 Ų | 81.9 | 38% | 0.377 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 114.2 | 168.3 | -176.7 | 69.8 | 0 | 0 | 0 | 108.1 | K265 W266 L267 K274 S278 E309 | K265-L276 HydrophobicContact CB-CD1 4.15Å; W266-L276 WeakPolarHBondContact O-CA 3.16Å; L267-L276 HydrophobicContact CD1-CD1 3.63Å; L267-L276 HydrophobicContact CG-CD1 4.28Å; K274-L276 PolarHBondContact O-N 3.42Å; L276-S278 PolarHBondContact O-N 3.42Å; L276-E309 HydrophobicContact CD1-CB 4.3Å |
| 277 | C | 82.6 | Confident | 74.4 | Confident | 10 Ų | 10 | 81.7 Ų | 81.7 | 7% | 0.068 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 127.7 | 166.4 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | C264 K265 W266 H290 H295 | C264-C277 CarbonylContact C-O 3.23Å; C264-C277 VanDerWaalsContact C-O 3.23Å; K265-C277 WeakPolarHBondContact CA-O 3.33Å; W266-C277 HydrophobicContact CB-CB 4.38Å; W266-C277 PolarHBondContact O-N 3.33Å; C277-H290 VanDerWaalsContact SG-CE1 3.53Å; C277-H290 PolarHBondContact SG-NE2 2.87Å; C277-H295 WeakPolarHBondContact CB-NE2 3.36Å |
| 278 | S | 83.9 | Confident | 74.4 | Confident | 82 Ų | 82 | 80.4 Ų | 80.4 | 57% | 0.573 | 43% | 0.432 | S | S | * | . | trans | -122.9 | 15.1 | -176.4 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | C264 L276 T280 | C264-S278 WeakPolarHBondContact O-CA 3.23Å; L276-S278 PolarHBondContact O-N 3.42Å; S278-T280 PolarHBondContact O-N 3.2Å | ||
| 279 | K | 84.7 | Confident | 74.9 | Confident | 93 Ų | 93 | 80.8 Ų | 80.8 | 40% | 0.404 | 44% | 0.438 | S | S | . | . | trans | -59.8 | 135 | -178.7 | -63.3 | -179.9 | -169.9 | -176.1 | 0 | 110.8 | C264 Y281 E294 | C264-K279 WeakPolarHBondContact CB-O 3.21Å; C264-K279 PolarHBondContact N-O 3.11Å; K279-Y281 HydrophobicContact CB-CE2 3.61Å; K279-Y281 VanDerWaalsContact CB-OH 3.31Å; K279-Y281 WeakPolarHBondContact CB-OH 3.41Å; K279-Y281 VanDerWaalsContact CD-OH 3.23Å; K279-Y281 WeakPolarHBondContact CD-OH 3.46Å; K279-Y281 WeakPolarHBondContact O-CE2 3.46Å; K279-E294 IonicContact NZ-OE1 3.54Å; K279-E294 IonicContact NZ-OE2 2.65Å; K279-E294 PolarHBondContact NZ-OE2 3.49Å | ||
| 280 | T | 84.4 | Confident | 76.1 | Confident | 84 Ų | 84 | 77.3 Ų | 77.3 | 52% | 0.515 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 146.3 | 179.9 | 55 | 0 | 0 | 0 | 0 | 111.7 | I263 S278 | I263-T280 HydrophobicContact CG1-CG2 4.23Å; I263-T280 HydrophobicContact CG2-CG2 4.28Å; S278-T280 PolarHBondContact O-N 3.2Å |
| 281 | Y | 84.6 | Confident | 77.2 | Confident | 45 Ų | 45 | 69.4 Ų | 69.4 | 18% | 0.176 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 152.5 | -175.5 | -65 | -73.4 | 0 | 0 | 0 | 112.8 | L262 C264 K279 E286 L287 H290 | L262-Y281 PolarHBondContact N-O 3.4Å; L262-Y281 PolarHBondContact O-N 3.31Å; C264-Y281 HydrophobicContact CB-CE2 4.42Å; K279-Y281 HydrophobicContact CB-CE2 3.61Å; K279-Y281 VanDerWaalsContact CB-OH 3.31Å; K279-Y281 WeakPolarHBondContact CB-OH 3.41Å; K279-Y281 VanDerWaalsContact CD-OH 3.23Å; K279-Y281 WeakPolarHBondContact CD-OH 3.46Å; K279-Y281 WeakPolarHBondContact O-CE2 3.46Å; Y281-E286 HydrophobicContact CD1-CB 3.46Å; Y281-E286 VanDerWaalsContact CD1-CB 3.46Å; Y281-E286 HydrophobicContact CD1-CG 4.49Å; Y281-E286 HydrophobicContact CE1-CB 4.26Å; Y281-E286 HydrophobicContact CG-CB 4.04Å; Y281-L287 HydrophobicContact CD2-CB 3.72Å; Y281-L287 HydrophobicContact CD2-CD1 3.7Å; Y281-L287 HydrophobicContact CD2-CG 4.24Å; Y281-L287 HydrophobicContact CE2-CD1 3.99Å; Y281-L287 HydrophobicContact CG-CB 3.92Å; Y281-H290 HydrophobicContact CE1-CB 4.16Å; Y281-H290 HydrophobicContact CE2-CB 4.11Å; Y281-H290 AromaticContact CE2-CD2 3.41Å; Y281-H290 VanDerWaalsContact CE2-CD2 3.41Å; Y281-H290 WeakPolarHBondContact CE2-CD2 3.48Å; Y281-H290 AromaticContact CE2-CG 3.89Å; Y281-H290 AromaticContact CZ-CD2 3.62Å; Y281-H290 AromaticContact CZ-CG 3.6Å; Y281-H290 WeakPolarHBondContact OH-CB 3.48Å; Y281-H290 PolarHBondContact OH-CD2 3.16Å; Y281-H290 VanDerWaalsContact OH-CD2 3.28Å |
| 282 | S | 79.7 | Confident | 78.5 | Confident | 96 Ų | 96 | 64.8 Ų | 64.8 | 67% | 0.671 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -93.7 | -22.9 | -178.9 | 77 | 0 | 0 | 0 | 0 | 113.1 | E286 | S282-E286 WeakPolarHBondContact CA-OE2 3.35Å; S282-E286 WeakPolarHBondContact CB-OE2 3.42Å; S282-E286 PolarHBondContact N-OE2 3.36Å; S282-E286 VanDerWaalsContact OG-CD 3.31Å; S282-E286 PolarHBondContact OG-OE1 3.22Å; S282-E286 VanDerWaalsContact OG-OE1 3.13Å; S282-E286 PolarHBondContact OG-OE2 2.84Å |
| 283 | T | 82.9 | Confident | 80.2 | Confident | 58 Ų | 58 | 63.4 Ų | 63.4 | 36% | 0.356 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -134 | 152.3 | 174.5 | 74.9 | 0 | 0 | 0 | 0 | 113 | L262 H285 E286 L287 | L262-T283 VanDerWaalsContact CD1-C 3.44Å; T283-H285 PolarHBondContact O-N 3.05Å; T283-H285 VanDerWaalsContact O-N 3.12Å; T283-H285 PolarHBondContact OG1-N 3.32Å; T283-E286 WeakPolarHBondContact CB-OE1 3.32Å; T283-E286 WeakPolarHBondContact CG2-OE1 3.48Å; T283-E286 PolarHBondContact N-OE2 2.54Å; T283-E286 PolarHBondContact O-N 3.12Å; T283-E286 PolarHBondContact OG1-N 3.39Å; T283-E286 PolarHBondContact OG1-OE1 2.95Å; T283-L287 PolarHBondContact O-N 3.31Å |
| 284 | M | 80.1 | Confident | 81.1 | Confident | 16 Ų | 16 | 63 Ų | 63 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55.7 | -28.6 | 171.8 | -173.3 | 77 | -83.9 | 0 | 0 | 112.1 | L262 L287 V288 I328 R329 T332 E334 | L262-M284 HydrophobicContact CD1-CB 4.31Å; L262-M284 VanDerWaalsContact CD1-N 3.29Å; M284-L287 HydrophobicContact CE-CB 4.07Å; M284-L287 HydrophobicContact CE-CD2 3.69Å; M284-L287 HydrophobicContact CE-CG 3.88Å; M284-V288 HydrophobicContact CE-CG2 3.8Å; M284-V288 HydrophobicContact CG-CG2 4.11Å; M284-V288 VanDerWaalsContact O-CB 3.23Å; M284-V288 WeakPolarHBondContact O-CB 3.37Å; M284-V288 WeakPolarHBondContact O-CG2 3.26Å; M284-V288 PolarHBondContact O-N 3.2Å; M284-V288 HydrophobicContact SD-CG2 4.44Å; M284-I328 HydrophobicContact CE-CG2 3.76Å; M284-R329 HydrophobicContact SD-CG 3.54Å; M284-R329 VanDerWaalsContact SD-CG 3.54Å; M284-T332 HydrophobicContact CE-CG2 4.19Å; M284-E334 VanDerWaalsContact CB-OE2 3.26Å; M284-E334 WeakPolarHBondContact CB-OE2 3.25Å |
| 285 | H | 81.3 | Confident | 81.8 | Confident | 136 Ų | 136 | 57 Ų | 57 | 63% | 0.63 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -69 | -44.9 | 180 | -176.5 | 58.8 | 0 | 0 | 0 | 111.2 | T283 V288 T289 | T283-H285 PolarHBondContact O-N 3.05Å; T283-H285 VanDerWaalsContact O-N 3.12Å; T283-H285 PolarHBondContact OG1-N 3.32Å; H285-V288 PolarHBondContact O-N 3.21Å; H285-T289 PolarHBondContact CE1-OG1 3.4Å; H285-T289 WeakPolarHBondContact O-CB 3.37Å; H285-T289 PolarHBondContact O-N 2.86Å; H285-T289 PolarHBondContact O-OG1 3.44Å |
| 286 | E | 85.1 | Confident | 81.8 | Confident | 70 Ų | 70 | 52.3 Ų | 52.3 | 33% | 0.327 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.4 | -50.3 | 174.9 | -66.4 | 133.2 | -132.4 | 0 | 0 | 111.5 | Y281 S282 T283 V288 T289 H290 | Y281-E286 HydrophobicContact CD1-CB 3.46Å; Y281-E286 VanDerWaalsContact CD1-CB 3.46Å; Y281-E286 HydrophobicContact CD1-CG 4.49Å; Y281-E286 HydrophobicContact CE1-CB 4.26Å; Y281-E286 HydrophobicContact CG-CB 4.04Å; S282-E286 WeakPolarHBondContact CA-OE2 3.35Å; S282-E286 WeakPolarHBondContact CB-OE2 3.42Å; S282-E286 PolarHBondContact N-OE2 3.36Å; S282-E286 VanDerWaalsContact OG-CD 3.31Å; S282-E286 PolarHBondContact OG-OE1 3.22Å; S282-E286 VanDerWaalsContact OG-OE1 3.13Å; S282-E286 PolarHBondContact OG-OE2 2.84Å; T283-E286 WeakPolarHBondContact CB-OE1 3.32Å; T283-E286 WeakPolarHBondContact CG2-OE1 3.48Å; T283-E286 PolarHBondContact N-OE2 2.54Å; T283-E286 PolarHBondContact O-N 3.12Å; T283-E286 PolarHBondContact OG1-N 3.39Å; T283-E286 PolarHBondContact OG1-OE1 2.95Å; E286-V288 PolarHBondContact O-N 2.92Å; E286-T289 PolarHBondContact O-N 2.83Å; E286-H290 WeakPolarHBondContact O-CB 3.41Å; E286-H290 PolarHBondContact O-N 3.05Å |
| 287 | L | 85.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 179.5 | 173.3 | 57.8 | 0 | 0 | 0 | 112.2 | L262 C264 Y281 T283 M284 V291 W308 T332 | L262-L287 HydrophobicContact CB-CD2 3.75Å; C264-L287 HydrophobicContact CB-CD1 3.71Å; Y281-L287 HydrophobicContact CD2-CB 3.72Å; Y281-L287 HydrophobicContact CD2-CD1 3.7Å; Y281-L287 HydrophobicContact CD2-CG 4.24Å; Y281-L287 HydrophobicContact CE2-CD1 3.99Å; Y281-L287 HydrophobicContact CG-CB 3.92Å; T283-L287 PolarHBondContact O-N 3.31Å; M284-L287 HydrophobicContact CE-CB 4.07Å; M284-L287 HydrophobicContact CE-CD2 3.69Å; M284-L287 HydrophobicContact CE-CG 3.88Å; L287-V291 HydrophobicContact CD1-CG2 3.81Å; L287-V291 WeakPolarHBondContact O-CB 3.15Å; L287-V291 VanDerWaalsContact O-CG2 3.3Å; L287-V291 WeakPolarHBondContact O-CG2 3.32Å; L287-V291 PolarHBondContact O-N 2.96Å; L287-W308 HydrophobicContact CD2-CH2 4.36Å; L287-T332 HydrophobicContact CD2-CG2 3.53Å |
| 288 | V | 81.8 | Confident | 79.8 | Confident | 17 Ų | 17 | 51.4 Ų | 51.4 | 10% | 0.103 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 173.5 | 163.3 | 0 | 0 | 0 | 0 | 111.4 | M284 H285 E286 T292 V325 | M284-V288 HydrophobicContact CE-CG2 3.8Å; M284-V288 HydrophobicContact CG-CG2 4.11Å; M284-V288 VanDerWaalsContact O-CB 3.23Å; M284-V288 WeakPolarHBondContact O-CB 3.37Å; M284-V288 WeakPolarHBondContact O-CG2 3.26Å; M284-V288 PolarHBondContact O-N 3.2Å; M284-V288 HydrophobicContact SD-CG2 4.44Å; H285-V288 PolarHBondContact O-N 3.21Å; E286-V288 PolarHBondContact O-N 2.92Å; V288-T292 HydrophobicContact CG1-CG2 4.39Å; V288-T292 VanDerWaalsContact O-CB 3.29Å; V288-T292 WeakPolarHBondContact O-CB 3.45Å; V288-T292 VanDerWaalsContact O-CG2 3.28Å; V288-T292 WeakPolarHBondContact O-CG2 3.38Å; V288-T292 PolarHBondContact O-N 2.68Å; V288-T292 PolarHBondContact O-OG1 2.92Å; V288-V325 HydrophobicContact CG1-CG1 4.28Å; V288-V325 HydrophobicContact CG1-CG2 3.56Å; V288-V325 HydrophobicContact CG2-CB 4.44Å; V288-V325 HydrophobicContact CG2-CG1 3.77Å; V288-V325 HydrophobicContact CG2-CG2 4.15Å |
| 289 | T | 83.6 | Confident | 78.4 | Confident | 58 Ų | 58 | 53 Ų | 53 | 36% | 0.356 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.9 | -48.4 | -179.3 | -66.5 | 0 | 0 | 0 | 0 | 110 | H285 E286 T292 V293 | H285-T289 PolarHBondContact CE1-OG1 3.4Å; H285-T289 WeakPolarHBondContact O-CB 3.37Å; H285-T289 PolarHBondContact O-N 2.86Å; H285-T289 PolarHBondContact O-OG1 3.44Å; E286-T289 PolarHBondContact O-N 2.83Å; T289-T292 CarbonylContact O-C 3.51Å; T289-T292 PolarHBondContact O-N 2.73Å; T289-V293 HydrophobicContact CG2-CG2 4.31Å; T289-V293 WeakPolarHBondContact O-CB 3.3Å; T289-V293 VanDerWaalsContact O-CG2 3.24Å; T289-V293 WeakPolarHBondContact O-CG2 3.34Å; T289-V293 PolarHBondContact O-N 2.89Å |
| 290 | H | 85.8 | Confident | 77 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 6% | 0.06 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -53.9 | -57.9 | 172.6 | 157.2 | 56.1 | 0 | 0 | 0 | 112.3 | C264 C277 Y281 E286 T292 V293 E294 H295 | C264-H290 PolarHBondContact SG-NE2 3.18Å; C264-H290 VanDerWaalsContact SG-NE2 3.36Å; C277-H290 VanDerWaalsContact SG-CE1 3.53Å; C277-H290 PolarHBondContact SG-NE2 2.87Å; Y281-H290 HydrophobicContact CE1-CB 4.16Å; Y281-H290 HydrophobicContact CE2-CB 4.11Å; Y281-H290 AromaticContact CE2-CD2 3.41Å; Y281-H290 VanDerWaalsContact CE2-CD2 3.41Å; Y281-H290 WeakPolarHBondContact CE2-CD2 3.48Å; Y281-H290 AromaticContact CE2-CG 3.89Å; Y281-H290 AromaticContact CZ-CD2 3.62Å; Y281-H290 AromaticContact CZ-CG 3.6Å; Y281-H290 WeakPolarHBondContact OH-CB 3.48Å; Y281-H290 PolarHBondContact OH-CD2 3.16Å; Y281-H290 VanDerWaalsContact OH-CD2 3.28Å; E286-H290 WeakPolarHBondContact O-CB 3.41Å; E286-H290 PolarHBondContact O-N 3.05Å; H290-T292 PolarHBondContact O-N 3.02Å; H290-V293 PolarHBondContact O-N 3.15Å; H290-V293 VanDerWaalsContact O-N 3.15Å; H290-E294 IonicContact CE1-OE2 3.6Å; H290-E294 PolarHBondContact CE1-OE2 2.97Å; H290-E294 IonicContact CG-OE2 2.54Å; H290-E294 IonicContact ND1-OE2 3.9Å; H290-E294 PolarHBondContact ND1-OE2 2.85Å; H290-E294 PolarHBondContact O-N 3.22Å; H290-H295 AromaticContact CE1-CD2 3.55Å; H290-H295 AromaticContact NE2-CD2 3.52Å |
| 291 | V | 82.3 | Confident | 75.7 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | I | π-helix | trans | -58.2 | -39.3 | -178.6 | 168 | 0 | 0 | 0 | 0 | 111.2 | W266 L287 H295 V296 I328 | W266-V291 HydrophobicContact CD2-CG1 4.37Å; W266-V291 HydrophobicContact CE3-CG1 3.61Å; W266-V291 HydrophobicContact CE3-CG2 4.41Å; W266-V291 HydrophobicContact CH2-CG1 3.89Å; W266-V291 HydrophobicContact CZ3-CG1 3.34Å; L287-V291 HydrophobicContact CD1-CG2 3.81Å; L287-V291 WeakPolarHBondContact O-CB 3.15Å; L287-V291 VanDerWaalsContact O-CG2 3.3Å; L287-V291 WeakPolarHBondContact O-CG2 3.32Å; L287-V291 PolarHBondContact O-N 2.96Å; V291-H295 WeakPolarHBondContact O-CB 3.33Å; V291-H295 PolarHBondContact O-N 3.29Å; V291-V296 HydrophobicContact CG1-CG2 4.08Å; V291-V296 WeakPolarHBondContact O-CG2 3.14Å; V291-V296 PolarHBondContact O-N 3.31Å; V291-I328 HydrophobicContact CB-CD1 4.43Å; V291-I328 HydrophobicContact CG1-CD1 3.82Å |
| 292 | T | 79.3 | Confident | 74.4 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 4% | 0.043 | 35% | 0.351 | C | S | . | . | I | π-helix | trans | -91.9 | 10.9 | -177 | 70.5 | 0 | 0 | 0 | 0 | 115.5 | V288 T289 H290 G297 K321 | V288-T292 HydrophobicContact CG1-CG2 4.39Å; V288-T292 VanDerWaalsContact O-CB 3.29Å; V288-T292 WeakPolarHBondContact O-CB 3.45Å; V288-T292 VanDerWaalsContact O-CG2 3.28Å; V288-T292 WeakPolarHBondContact O-CG2 3.38Å; V288-T292 PolarHBondContact O-N 2.68Å; V288-T292 PolarHBondContact O-OG1 2.92Å; T289-T292 CarbonylContact O-C 3.51Å; T289-T292 PolarHBondContact O-N 2.73Å; H290-T292 PolarHBondContact O-N 3.02Å; T292-G297 VanDerWaalsContact O-O 3.06Å; T292-K321 VanDerWaalsContact CB-NZ 3.3Å; T292-K321 WeakPolarHBondContact OG1-CE 3.23Å; T292-K321 PolarHBondContact OG1-NZ 3.44Å |
| 293 | V | 80.6 | Confident | 73.8 | Confident | 92 Ų | 92 | 60.4 Ų | 60.4 | 56% | 0.558 | 34% | 0.343 | S | S | * | . | I | π-helix | trans | -116.1 | -48 | 168 | 170.1 | 0 | 0 | 0 | 0 | 109.7 | T289 H290 | T289-V293 HydrophobicContact CG2-CG2 4.31Å; T289-V293 WeakPolarHBondContact O-CB 3.3Å; T289-V293 VanDerWaalsContact O-CG2 3.24Å; T289-V293 WeakPolarHBondContact O-CG2 3.34Å; T289-V293 PolarHBondContact O-N 2.89Å; H290-V293 PolarHBondContact O-N 3.15Å; H290-V293 VanDerWaalsContact O-N 3.15Å |
| 294 | E | 78.9 | Confident | 73.5 | Confident | 103 Ų | 103 | 59 Ų | 59 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | I | π-helix | trans | -96.8 | -18.1 | -169.3 | -57.9 | -168.3 | 133.9 | 0 | 0 | 114.3 | K279 H290 | K279-E294 IonicContact NZ-OE1 3.54Å; K279-E294 IonicContact NZ-OE2 2.65Å; K279-E294 PolarHBondContact NZ-OE2 3.49Å; H290-E294 IonicContact CE1-OE2 3.6Å; H290-E294 PolarHBondContact CE1-OE2 2.97Å; H290-E294 IonicContact CG-OE2 2.54Å; H290-E294 IonicContact ND1-OE2 3.9Å; H290-E294 PolarHBondContact ND1-OE2 2.85Å; H290-E294 PolarHBondContact O-N 3.22Å |
| 295 | H | 77.2 | Confident | 73.4 | Confident | 37 Ų | 37 | 60 Ų | 60 | 17% | 0.171 | 34% | 0.338 | C | S | . | . | I | π-helix | trans | -122.9 | -28.7 | -174.6 | -67.1 | -35.9 | 0 | 0 | 0 | 115.2 | W266 E268 C277 H290 V291 | W266-H295 AromaticContact CD1-CD2 3.92Å; W266-H295 AromaticContact CD1-CG 3.59Å; W266-H295 AromaticContact CD1-ND1 4Å; W266-H295 HydrophobicContact CD2-CB 3.95Å; W266-H295 HydrophobicContact CG-CB 3.89Å; W266-H295 AromaticContact CG-CD2 3.67Å; W266-H295 AromaticContact CG-CG 3.78Å; W266-H295 HydrophobicContact CZ2-CB 4.26Å; E268-H295 IonicContact OE1-CE1 2.67Å; E268-H295 IonicContact OE1-ND1 3.07Å; E268-H295 IonicContact OE1-NE2 3.02Å; E268-H295 PolarHBondContact OE1-NE2 3.45Å; C277-H295 WeakPolarHBondContact CB-NE2 3.36Å; H290-H295 AromaticContact CE1-CD2 3.55Å; H290-H295 AromaticContact NE2-CD2 3.52Å; V291-H295 WeakPolarHBondContact O-CB 3.33Å; V291-H295 PolarHBondContact O-N 3.29Å |
| 296 | V | 72.9 | Confident | 73.4 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -102.5 | -2.6 | 173.3 | -171.8 | 0 | 0 | 0 | 0 | 111.2 | W266 V291 Q301 H304 L324 | W266-V296 HydrophobicContact CH2-CG2 3.54Å; W266-V296 HydrophobicContact CZ2-CG2 3.78Å; W266-V296 HydrophobicContact CZ3-CG2 4.46Å; V291-V296 HydrophobicContact CG1-CG2 4.08Å; V291-V296 WeakPolarHBondContact O-CG2 3.14Å; V291-V296 PolarHBondContact O-N 3.31Å; V296-Q301 VanDerWaalsContact O-CD 3.23Å; V296-Q301 PolarHBondContact O-OE1 2.98Å; V296-Q301 VanDerWaalsContact O-OE1 3.1Å; V296-H304 HydrophobicContact CG1-CB 4.48Å; V296-L324 HydrophobicContact CG1-CD2 4.22Å; V296-L324 HydrophobicContact CG2-CD2 3.79Å |
| 297 | G | 65.3 | Low | 73.1 | Confident | 20 Ų | 20 | 53.9 Ų | 53.9 | 21% | 0.206 | 31% | 0.309 | C | S | . | . | trans | 63.8 | -170.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | T292 | T292-G297 VanDerWaalsContact O-O 3.06Š| ||
| 298 | G | 56 | Low | 72.9 | Confident | 42 Ų | 42 | 54.7 Ų | 54.7 | 43% | 0.433 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -61.3 | 167.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | E300 Q301 | G298-E300 PolarHBondContact O-N 3.16Å; G298-Q301 PolarHBondContact O-N 3.19Å |
| 299 | P | 55.3 | Low | 72.5 | Confident | 115 Ų | 115 | 58.1 Ų | 58.1 | 75% | 0.747 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -14.7 | -172.5 | 25.7 | -35.2 | 0 | 0 | 0 | 115.2 | ||
| 300 | E | 55.1 | Low | 72 | Confident | 187 Ų | 187 | 62.4 Ų | 62.4 | 87% | 0.874 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -9.5 | -176.6 | -58.4 | -177.5 | 128.2 | 0 | 0 | 114 | G298 A302 | G298-E300 PolarHBondContact O-N 3.16Å; E300-A302 PolarHBondContact O-N 3.11Å |
| 301 | Q | 57.4 | Low | 71.7 | Confident | 103 Ų | 103 | 62.2 Ų | 62.2 | 48% | 0.481 | 34% | 0.343 | S | S | . | . | trans | -69.4 | 106.8 | 178.7 | -65 | -156.4 | 12.6 | 0 | 0 | 111.6 | V296 G298 N303 H304 | V296-Q301 VanDerWaalsContact O-CD 3.23Å; V296-Q301 PolarHBondContact O-OE1 2.98Å; V296-Q301 VanDerWaalsContact O-OE1 3.1Å; G298-Q301 PolarHBondContact O-N 3.19Å; Q301-N303 PolarHBondContact O-N 2.92Å; Q301-N303 VanDerWaalsContact O-N 3.09Å; Q301-H304 PolarHBondContact O-CE1 3.39Å; Q301-H304 VanDerWaalsContact O-CE1 3.31Å; Q301-H304 PolarHBondContact O-ND1 3.23Å | ||
| 302 | A | 56.6 | Low | 71.3 | Confident | 88 Ų | 88 | 68 Ų | 68 | 73% | 0.727 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -60 | -20.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E300 | E300-A302 PolarHBondContact O-N 3.11Š|
| 303 | N | 66.9 | Low | 70.7 | Confident | 97 Ų | 97 | 71.7 Ų | 71.7 | 52% | 0.519 | 39% | 0.393 | S | S | . | . | trans | -109.7 | 82.8 | -176.3 | -76.2 | -46.2 | 0 | 0 | 0 | 111.7 | Q301 I305 P317 | Q301-N303 PolarHBondContact O-N 2.92Å; Q301-N303 VanDerWaalsContact O-N 3.09Å; N303-I305 VanDerWaalsContact C-N 3.25Å; N303-I305 HydrophobicContact CB-CD1 4.19Å; N303-I305 HydrophobicContact CB-CG1 4.23Å; N303-I305 PolarHBondContact O-N 3.02Å; N303-P317 HydrophobicContact CB-CB 4.25Å | ||
| 304 | H | 76 | Confident | 69.6 | Low | 27 Ų | 27 | 74.8 Ų | 74.8 | 13% | 0.125 | 40% | 0.402 | C | S | . | . | B | Isolated β-bridge | trans | -72 | 79.2 | 171.8 | -46.7 | -52 | 0 | 0 | 0 | 110.8 | V296 Q301 F318 K321 L324 | V296-H304 HydrophobicContact CG1-CB 4.48Å; Q301-H304 PolarHBondContact O-CE1 3.39Å; Q301-H304 VanDerWaalsContact O-CE1 3.31Å; Q301-H304 PolarHBondContact O-ND1 3.23Å; H304-F318 HydrophobicContact CB-CB 4.31Å; H304-F318 PolarHBondContact CD2-O 3.26Å; H304-F318 WeakPolarHBondContact O-CB 3.23Å; H304-F318 WeakPolarHBondContact O-CD2 3.32Å; H304-F318 PolarHBondContact O-N 3.02Å; H304-K321 PolarHBondContact CD2-N 3.29Å; H304-K321 PolarHBondContact NE2-N 2.86Å; H304-L324 HydrophobicContact CB-CB 4.31Å; H304-L324 HydrophobicContact CB-CD2 3.95Å |
| 305 | I | 78.5 | Confident | 68.8 | Low | 37 Ų | 37 | 71.5 Ų | 71.5 | 19% | 0.19 | 40% | 0.396 | C | S | . | . | trans | -81.5 | 164.2 | 177.8 | -61.3 | 170.7 | 0 | 0 | 0 | 109.8 | W266 N303 F307 G315 P317 L324 | W266-I305 VanDerWaalsContact CH2-O 3.29Å; W266-I305 WeakPolarHBondContact CH2-O 3.28Å; N303-I305 VanDerWaalsContact C-N 3.25Å; N303-I305 HydrophobicContact CB-CD1 4.19Å; N303-I305 HydrophobicContact CB-CG1 4.23Å; N303-I305 PolarHBondContact O-N 3.02Å; I305-F307 HydrophobicContact CB-CE2 3.94Å; I305-F307 HydrophobicContact CB-CZ 4.06Å; I305-F307 HydrophobicContact CD1-CZ 4.23Å; I305-F307 HydrophobicContact CG2-CD1 4.13Å; I305-F307 HydrophobicContact CG2-CD2 4.08Å; I305-F307 HydrophobicContact CG2-CE1 3.67Å; I305-F307 HydrophobicContact CG2-CE2 3.61Å; I305-F307 HydrophobicContact CG2-CG 4.33Å; I305-F307 HydrophobicContact CG2-CZ 3.39Å; I305-G315 WeakPolarHBondContact CG1-O 3.44Å; I305-G315 WeakPolarHBondContact CG2-O 3.42Å; I305-P317 HydrophobicContact CG1-CB 3.83Å; I305-L324 WeakPolarHBondContact O-CD2 3.29Å | ||
| 306 | C | 81.8 | Confident | 68.6 | Low | 2 Ų | 2 | 76.6 Ų | 76.6 | 1% | 0.014 | 42% | 0.417 | C | S | . | . | trans | -123.6 | 118.8 | 170.5 | -167.6 | 0 | 0 | 0 | 0 | 110.3 | W266 F318 L324 | W266-C306 HydrophobicContact CH2-CB 4.41Å; C306-F318 HydrophobicContact CB-CE2 4.28Å; C306-L324 HydrophobicContact CB-CD1 3.62Å | ||
| 307 | F | 77.8 | Confident | 68.8 | Low | 76 Ų | 76 | 79 Ų | 79 | 33% | 0.333 | 43% | 0.433 | S | S | . | . | trans | -110.7 | 47.4 | 177 | -58.3 | -72.9 | 0 | 0 | 0 | 111.1 | W266 L267 I305 | W266-F307 HydrophobicContact CZ2-CB 4.27Å; W266-F307 AromaticContact CZ2-CD2 3.93Å; W266-F307 HydrophobicContact CZ2-CD2 3.93Å; W266-F307 AromaticContact NE1-CD2 3.93Å; L267-F307 PolarHBondContact N-O 2.85Å; I305-F307 HydrophobicContact CB-CE2 3.94Å; I305-F307 HydrophobicContact CB-CZ 4.06Å; I305-F307 HydrophobicContact CD1-CZ 4.23Å; I305-F307 HydrophobicContact CG2-CD1 4.13Å; I305-F307 HydrophobicContact CG2-CD2 4.08Å; I305-F307 HydrophobicContact CG2-CE1 3.67Å; I305-F307 HydrophobicContact CG2-CE2 3.61Å; I305-F307 HydrophobicContact CG2-CG 4.33Å; I305-F307 HydrophobicContact CG2-CZ 3.39Å | ||
| 308 | W | 81.1 | Confident | 69.5 | Low | 17 Ų | 17 | 79 Ų | 79 | 6% | 0.064 | 43% | 0.428 | C | S | . | . | B | Isolated β-bridge | trans | -75.7 | 142.5 | 174.9 | -155.8 | -79.8 | 0 | 0 | 0 | 110.4 | I263 K265 W266 L287 E310 C311 I328 H331 | I263-W308 WeakPolarHBondContact O-CH2 3.34Å; I263-W308 WeakPolarHBondContact O-CZ2 3.49Å; K265-W308 HydrophobicContact CB-CD2 4.38Å; K265-W308 HydrophobicContact CB-CZ2 3.96Å; K265-W308 HydrophobicContact CG-CZ2 4.42Å; K265-W308 WeakPolarHBondContact O-CA 3.32Å; W266-W308 HydrophobicContact CE3-CE3 4.16Å; L287-W308 HydrophobicContact CD2-CH2 4.36Å; W308-E310 PolarHBondContact O-N 3.3Å; W308-C311 HydrophobicContact CB-CB 4.08Å; W308-C311 WeakPolarHBondContact O-CB 3.24Å; W308-C311 PolarHBondContact O-N 2.92Å; W308-I328 HydrophobicContact CH2-CG2 4.45Å; W308-I328 HydrophobicContact CZ3-CG2 3.96Å; W308-H331 AromaticContact CD1-CE1 3.92Å; W308-H331 AromaticContact CD1-CG 3.51Å; W308-H331 AromaticContact CD1-ND1 3.36Å; W308-H331 HydrophobicContact CD2-CB 3.83Å; W308-H331 AromaticContact CD2-CG 3.81Å; W308-H331 VanDerWaalsContact CE2-CB 3.43Å; W308-H331 AromaticContact CE2-CG 3.85Å; W308-H331 HydrophobicContact CG-CB 4.11Å; W308-H331 AromaticContact CG-CD2 3.8Å; W308-H331 AromaticContact CG-CG 3.6Å; W308-H331 AromaticContact CG-ND1 3.78Å; W308-H331 HydrophobicContact CZ2-CB 3.83Å; W308-H331 AromaticContact NE1-CG 3.63Å; W308-H331 AromaticContact NE1-ND1 3.76Å |
| 309 | E | 74.5 | Confident | 70.6 | Confident | 90 Ų | 90 | 87.5 Ų | 87.5 | 42% | 0.421 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -36.1 | -171.5 | -171.6 | 176.1 | -144.5 | 0 | 0 | 115.8 | K265 L267 L276 | K265-E309 HydrophobicContact CB-CB 4.24Å; K265-E309 WeakPolarHBondContact CD-OE2 3.37Å; K265-E309 WeakPolarHBondContact CE-OE2 3.39Å; K265-E309 IonicContact NZ-OE2 2.71Å; K265-E309 PolarHBondContact NZ-OE2 3.42Å; K265-E309 PolarHBondContact O-N 2.98Å; L267-E309 VanDerWaalsContact CD1-CA 3.4Å; L267-E309 HydrophobicContact CD1-CB 3.7Å; L267-E309 HydrophobicContact CD1-CG 4.19Å; L276-E309 HydrophobicContact CD1-CB 4.3Å |
| 310 | E | 73.3 | Confident | 71.8 | Confident | 147 Ų | 147 | 83.3 Ų | 83.3 | 69% | 0.687 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.2 | 41.6 | -179.4 | -59.8 | 176.5 | 143.7 | 0 | 0 | 110.8 | W308 P312 | W308-E310 PolarHBondContact O-N 3.3Å; E310-P312 VanDerWaalsContact O-CD 3.25Å; E310-P312 WeakPolarHBondContact O-CD 3.45Å |
| 311 | C | 79.8 | Confident | 72.8 | Confident | 10 Ų | 10 | 78.2 Ų | 78.2 | 7% | 0.068 | 40% | 0.403 | C | S | . | . | trans | -77.9 | 115.4 | -177.6 | -167 | 0 | 0 | 0 | 0 | 112.6 | W308 R313 H327 | W308-C311 HydrophobicContact CB-CB 4.08Å; W308-C311 WeakPolarHBondContact O-CB 3.24Å; W308-C311 PolarHBondContact O-N 2.92Å; C311-R313 PolarHBondContact O-N 3.12Å; C311-H327 PolarHBondContact SG-NE2 3.11Å; C311-H327 VanDerWaalsContact SG-NE2 3.41Å | ||
| 312 | P | 72.5 | Confident | 73.8 | Confident | 120 Ų | 120 | 79.8 Ų | 79.8 | 78% | 0.779 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -72.5 | 24.7 | 176.9 | -15.1 | 32.5 | 0 | 0 | 0 | 113.9 | E310 | E310-P312 VanDerWaalsContact O-CD 3.25Å; E310-P312 WeakPolarHBondContact O-CD 3.45Å |
| 313 | R | 66.8 | Low | 75 | Confident | 85 Ų | 85 | 80.4 Ų | 80.4 | 32% | 0.321 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -141.2 | 65.1 | -172.1 | -176.3 | -172 | -105.9 | -100.2 | -2.8 | 108.4 | C311 G315 K316 P317 F318 | C311-R313 PolarHBondContact O-N 3.12Å; R313-G315 PolarHBondContact O-N 2.84Å; R313-K316 HydrophobicContact CG-CB 3.89Å; R313-K316 PolarHBondContact NH1-O 3.47Å; R313-P317 PolarHBondContact NH1-O 2.87Å; R313-F318 VanDerWaalsContact CD-CE2 3.42Å; R313-F318 VanDerWaalsContact CZ-CE1 3.44Å; R313-F318 VanDerWaalsContact CZ-CZ 3.4Å |
| 314 | E | 58.2 | Low | 75.7 | Confident | 157 Ų | 157 | 75.8 Ų | 75.8 | 73% | 0.734 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -46 | 103.5 | 174.3 | -50.4 | -54.8 | 156.6 | 0 | 0 | 111.4 | K316 | E314-K316 VanDerWaalsContact O-CG 3.26Å; E314-K316 WeakPolarHBondContact O-CG 3.31Å; E314-K316 PolarHBondContact O-N 2.99Å |
| 315 | G | 61.9 | Low | 75.9 | Confident | 35 Ų | 35 | 75.7 Ų | 75.7 | 36% | 0.361 | 37% | 0.368 | S | S | . | . | S | Bend | trans | 63.2 | -6.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | I305 R313 P317 | I305-G315 WeakPolarHBondContact CG1-O 3.44Å; I305-G315 WeakPolarHBondContact CG2-O 3.42Å; R313-G315 PolarHBondContact O-N 2.84Å; G315-P317 VanDerWaalsContact O-CD 3.29Å; G315-P317 WeakPolarHBondContact O-CD 3.39Å |
| 316 | K | 72.6 | Confident | 76.1 | Confident | 143 Ų | 143 | 76.5 Ų | 76.5 | 62% | 0.622 | 37% | 0.373 | S | S | * | . | trans | -76.9 | 114.5 | -166.2 | -52.8 | -168.5 | 179.6 | 176.5 | 0 | 112.7 | R313 E314 | R313-K316 HydrophobicContact CG-CB 3.89Å; R313-K316 PolarHBondContact NH1-O 3.47Å; E314-K316 VanDerWaalsContact O-CG 3.26Å; E314-K316 WeakPolarHBondContact O-CG 3.31Å; E314-K316 PolarHBondContact O-N 2.99Å | ||
| 317 | P | 78.6 | Confident | 76.1 | Confident | 60 Ų | 60 | 77.7 Ų | 77.7 | 39% | 0.39 | 38% | 0.378 | S | S | . | . | trans | -64 | 153.5 | -173.8 | 24.4 | -33.9 | 0 | 0 | 0 | 113.6 | N303 I305 R313 G315 | N303-P317 HydrophobicContact CB-CB 4.25Å; I305-P317 HydrophobicContact CG1-CB 3.83Å; R313-P317 PolarHBondContact NH1-O 2.87Å; G315-P317 VanDerWaalsContact O-CD 3.29Å; G315-P317 WeakPolarHBondContact O-CD 3.39Å | ||
| 318 | F | 78.7 | Confident | 76.3 | Confident | 22 Ų | 22 | 74 Ų | 74 | 10% | 0.096 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -96.1 | 127.8 | 169 | -71.5 | -86.1 | 0 | 0 | 0 | 110.1 | H304 C306 R313 A320 K323 L324 H327 | H304-F318 HydrophobicContact CB-CB 4.31Å; H304-F318 PolarHBondContact CD2-O 3.26Å; H304-F318 WeakPolarHBondContact O-CB 3.23Å; H304-F318 WeakPolarHBondContact O-CD2 3.32Å; H304-F318 PolarHBondContact O-N 3.02Å; C306-F318 HydrophobicContact CB-CE2 4.28Å; R313-F318 VanDerWaalsContact CD-CE2 3.42Å; R313-F318 VanDerWaalsContact CZ-CE1 3.44Å; R313-F318 VanDerWaalsContact CZ-CZ 3.4Å; F318-A320 PolarHBondContact O-N 2.98Å; F318-K323 HydrophobicContact CB-CB 4.11Å; F318-K323 HydrophobicContact CD1-CB 3.66Å; F318-K323 HydrophobicContact CG-CB 4.24Å; F318-L324 HydrophobicContact CB-CB 4.22Å; F318-L324 HydrophobicContact CD2-CB 3.96Å; F318-L324 HydrophobicContact CD2-CD1 3.87Å; F318-L324 HydrophobicContact CD2-CG 4.49Å; F318-L324 HydrophobicContact CE2-CD1 3.96Å; F318-L324 HydrophobicContact CG-CB 4.17Å; F318-H327 HydrophobicContact CE1-CB 3.99Å; F318-H327 HydrophobicContact CE2-CB 4.17Å; F318-H327 AromaticContact CE2-CD2 3.26Å; F318-H327 WeakPolarHBondContact CE2-CD2 3.4Å; F318-H327 AromaticContact CE2-CG 3.93Å; F318-H327 AromaticContact CE2-NE2 3.99Å; F318-H327 HydrophobicContact CZ-CB 3.53Å; F318-H327 AromaticContact CZ-CD2 3.17Å; F318-H327 WeakPolarHBondContact CZ-CD2 3.46Å; F318-H327 AromaticContact CZ-CG 3.39Å; F318-H327 AromaticContact CZ-NE2 3.87Å |
| 319 | K | 78.8 | Confident | 76.3 | Confident | 219 Ų | 219 | 75.2 Ų | 75.2 | 95% | 0.952 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -62.5 | 1.4 | 179.2 | -60.3 | -163.5 | 175.6 | -163 | 0 | 116 | ||
| 320 | A | 80.4 | Confident | 76.7 | Confident | 27 Ų | 27 | 76 Ų | 76 | 22% | 0.223 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -167.1 | 141.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | F318 Y322 K323 | F318-A320 PolarHBondContact O-N 2.98Å; A320-Y322 HydrophobicContact CB-CD1 3.52Å; A320-Y322 HydrophobicContact CB-CE1 3.47Å; A320-Y322 VanDerWaalsContact CB-CE1 3.47Å; A320-Y322 PolarHBondContact O-N 2.89Å; A320-Y322 VanDerWaalsContact O-N 3.13Å; A320-K323 HydrophobicContact CB-CG 4.44Å; A320-K323 WeakPolarHBondContact O-CB 3.48Å; A320-K323 PolarHBondContact O-N 3.1Å |
| 321 | K | 76.9 | Confident | 76.9 | Confident | 81 Ų | 81 | 71.1 Ų | 71.1 | 35% | 0.352 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -49.1 | -41.9 | -179 | -175.3 | 165.2 | 178.1 | 158 | 0 | 112.8 | T292 H304 K323 L324 V325 | T292-K321 VanDerWaalsContact CB-NZ 3.3Å; T292-K321 WeakPolarHBondContact OG1-CE 3.23Å; T292-K321 PolarHBondContact OG1-NZ 3.44Å; H304-K321 PolarHBondContact CD2-N 3.29Å; H304-K321 PolarHBondContact NE2-N 2.86Å; K321-K323 VanDerWaalsContact C-N 3.26Å; K321-K323 PolarHBondContact O-N 2.86Å; K321-L324 PolarHBondContact O-N 3.47Å; K321-V325 WeakPolarHBondContact O-CG2 3.48Å; K321-V325 PolarHBondContact O-N 2.92Å |
| 322 | Y | 78.4 | Confident | 76.8 | Confident | 135 Ų | 135 | 71.6 Ų | 71.6 | 53% | 0.529 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.3 | -25.1 | 179.1 | 83.1 | -91.1 | 0 | 0 | 0 | 114.1 | A320 N326 | A320-Y322 HydrophobicContact CB-CD1 3.52Å; A320-Y322 HydrophobicContact CB-CE1 3.47Å; A320-Y322 VanDerWaalsContact CB-CE1 3.47Å; A320-Y322 PolarHBondContact O-N 2.89Å; A320-Y322 VanDerWaalsContact O-N 3.13Å; Y322-N326 PolarHBondContact O-N 2.98Å; Y322-N326 VanDerWaalsContact O-N 3.11Å; Y322-N326 PolarHBondContact O-ND2 3.19Å |
| 323 | K | 82.6 | Confident | 76.9 | Confident | 101 Ų | 101 | 67.6 Ų | 67.6 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -75 | -41.3 | 175 | -62.7 | -66.1 | -161.9 | -155.7 | 0 | 111.1 | F318 A320 K321 N326 H327 | F318-K323 HydrophobicContact CB-CB 4.11Å; F318-K323 HydrophobicContact CD1-CB 3.66Å; F318-K323 HydrophobicContact CG-CB 4.24Å; A320-K323 HydrophobicContact CB-CG 4.44Å; A320-K323 WeakPolarHBondContact O-CB 3.48Å; A320-K323 PolarHBondContact O-N 3.1Å; K321-K323 VanDerWaalsContact C-N 3.26Å; K321-K323 PolarHBondContact O-N 2.86Å; K323-N326 PolarHBondContact O-N 3.18Å; K323-H327 PolarHBondContact O-N 2.69Å |
| 324 | L | 81.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 172.1 | 175.2 | 59.5 | 0 | 0 | 0 | 110.8 | V296 H304 I305 C306 F318 K321 N326 H327 I328 | V296-L324 HydrophobicContact CG1-CD2 4.22Å; V296-L324 HydrophobicContact CG2-CD2 3.79Å; H304-L324 HydrophobicContact CB-CB 4.31Å; H304-L324 HydrophobicContact CB-CD2 3.95Å; I305-L324 WeakPolarHBondContact O-CD2 3.29Å; C306-L324 HydrophobicContact CB-CD1 3.62Å; F318-L324 HydrophobicContact CB-CB 4.22Å; F318-L324 HydrophobicContact CD2-CB 3.96Å; F318-L324 HydrophobicContact CD2-CD1 3.87Å; F318-L324 HydrophobicContact CD2-CG 4.49Å; F318-L324 HydrophobicContact CE2-CD1 3.96Å; F318-L324 HydrophobicContact CG-CB 4.17Å; K321-L324 PolarHBondContact O-N 3.47Å; L324-N326 VanDerWaalsContact C-N 3.32Å; L324-N326 PolarHBondContact O-N 3Å; L324-H327 CarbonylContact O-C 3.27Å; L324-H327 WeakPolarHBondContact O-CA 3.4Å; L324-H327 WeakPolarHBondContact O-CB 3.46Å; L324-H327 PolarHBondContact O-N 3.38Å; L324-I328 HydrophobicContact CD1-CD1 4.32Å; L324-I328 HydrophobicContact CD1-CG1 4.25Å; L324-I328 HydrophobicContact CG-CD1 4.12Å; L324-I328 WeakPolarHBondContact O-CG1 3.46Å; L324-I328 PolarHBondContact O-N 3.44Å |
| 325 | V | 80 | Confident | 78.1 | Confident | 26 Ų | 26 | 63 Ų | 63 | 16% | 0.158 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.7 | -39.8 | 175.8 | 169.6 | 0 | 0 | 0 | 0 | 112.8 | V288 K321 H327 | V288-V325 HydrophobicContact CG1-CG1 4.28Å; V288-V325 HydrophobicContact CG1-CG2 3.56Å; V288-V325 HydrophobicContact CG2-CB 4.44Å; V288-V325 HydrophobicContact CG2-CG1 3.77Å; V288-V325 HydrophobicContact CG2-CG2 4.15Å; K321-V325 WeakPolarHBondContact O-CG2 3.48Å; K321-V325 PolarHBondContact O-N 2.92Å; V325-H327 VanDerWaalsContact C-N 3.26Å; V325-H327 PolarHBondContact O-N 3.44Å |
| 326 | N | 81.1 | Confident | 78.9 | Confident | 53 Ų | 53 | 64.1 Ų | 64.1 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -72.2 | -18.5 | 174.1 | -83.8 | -87.3 | 0 | 0 | 0 | 113.4 | Y322 K323 L324 | Y322-N326 PolarHBondContact O-N 2.98Å; Y322-N326 VanDerWaalsContact O-N 3.11Å; Y322-N326 PolarHBondContact O-ND2 3.19Å; K323-N326 PolarHBondContact O-N 3.18Å; L324-N326 VanDerWaalsContact C-N 3.32Å; L324-N326 PolarHBondContact O-N 3Å |
| 327 | H | 83.6 | Confident | 79.3 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 13% | 0.125 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -86.5 | -37.2 | 176.5 | 169.3 | 48.6 | 0 | 0 | 0 | 112.7 | C311 F318 K323 L324 V325 R329 V330 H331 | C311-H327 PolarHBondContact SG-NE2 3.11Å; C311-H327 VanDerWaalsContact SG-NE2 3.41Å; F318-H327 HydrophobicContact CE1-CB 3.99Å; F318-H327 HydrophobicContact CE2-CB 4.17Å; F318-H327 AromaticContact CE2-CD2 3.26Å; F318-H327 WeakPolarHBondContact CE2-CD2 3.4Å; F318-H327 AromaticContact CE2-CG 3.93Å; F318-H327 AromaticContact CE2-NE2 3.99Å; F318-H327 HydrophobicContact CZ-CB 3.53Å; F318-H327 AromaticContact CZ-CD2 3.17Å; F318-H327 WeakPolarHBondContact CZ-CD2 3.46Å; F318-H327 AromaticContact CZ-CG 3.39Å; F318-H327 AromaticContact CZ-NE2 3.87Å; K323-H327 PolarHBondContact O-N 2.69Å; L324-H327 CarbonylContact O-C 3.27Å; L324-H327 WeakPolarHBondContact O-CA 3.4Å; L324-H327 WeakPolarHBondContact O-CB 3.46Å; L324-H327 PolarHBondContact O-N 3.38Å; V325-H327 VanDerWaalsContact C-N 3.26Å; V325-H327 PolarHBondContact O-N 3.44Å; H327-R329 PolarHBondContact O-N 2.83Å; H327-R329 VanDerWaalsContact O-N 3.15Å; H327-V330 WeakPolarHBondContact O-CB 3.41Å; H327-V330 WeakPolarHBondContact O-CG2 3.15Å; H327-V330 PolarHBondContact O-N 2.87Å; H327-H331 AromaticContact CE1-NE2 3.52Å; H327-H331 AromaticContact NE2-NE2 3.87Å |
| 328 | I | 80.2 | Confident | 79.4 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.3 | -33.7 | 174.8 | -67.3 | 164.2 | 0 | 0 | 0 | 111.1 | M284 V291 W308 L324 V330 H331 T332 | M284-I328 HydrophobicContact CE-CG2 3.76Å; V291-I328 HydrophobicContact CB-CD1 4.43Å; V291-I328 HydrophobicContact CG1-CD1 3.82Å; W308-I328 HydrophobicContact CH2-CG2 4.45Å; W308-I328 HydrophobicContact CZ3-CG2 3.96Å; L324-I328 HydrophobicContact CD1-CD1 4.32Å; L324-I328 HydrophobicContact CD1-CG1 4.25Å; L324-I328 HydrophobicContact CG-CD1 4.12Å; L324-I328 WeakPolarHBondContact O-CG1 3.46Å; L324-I328 PolarHBondContact O-N 3.44Å; I328-V330 PolarHBondContact O-N 3.17Å; I328-V330 VanDerWaalsContact O-N 3.12Å; I328-H331 WeakPolarHBondContact O-CB 3.43Å; I328-H331 PolarHBondContact O-N 3.23Å; I328-T332 HydrophobicContact CG2-CG2 4.47Å; I328-T332 PolarHBondContact O-N 3.26Å; I328-T332 VanDerWaalsContact O-N 3.16Å |
| 329 | R | 82.6 | Confident | 79.9 | Confident | 41 Ų | 41 | 60.2 Ų | 60.2 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.3 | -16.9 | 172.7 | -67.1 | 175.7 | -178.1 | -155.9 | -7 | 115.3 | M284 H327 G333 F337 A349 | M284-R329 HydrophobicContact SD-CG 3.54Å; M284-R329 VanDerWaalsContact SD-CG 3.54Å; H327-R329 PolarHBondContact O-N 2.83Å; H327-R329 VanDerWaalsContact O-N 3.15Å; R329-G333 PolarHBondContact O-N 3.48Å; R329-F337 VanDerWaalsContact NH1-CE2 3.3Å; R329-A349 PolarHBondContact NH1-O 3.06Å |
| 330 | V | 81.2 | Confident | 80.2 | Confident | 106 Ų | 106 | 53.3 Ų | 53.3 | 64% | 0.642 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -72.9 | -34.1 | 172 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | H327 I328 | H327-V330 WeakPolarHBondContact O-CB 3.41Å; H327-V330 WeakPolarHBondContact O-CG2 3.15Å; H327-V330 PolarHBondContact O-N 2.87Å; I328-V330 PolarHBondContact O-N 3.17Å; I328-V330 VanDerWaalsContact O-N 3.12Å |
| 331 | H | 79.4 | Confident | 80.4 | Confident | 45 Ų | 45 | 55.4 Ų | 55.4 | 21% | 0.208 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -82 | -40.5 | 179.3 | -63.4 | -68.6 | 0 | 0 | 0 | 112.9 | W308 H327 I328 G333 | W308-H331 AromaticContact CD1-CE1 3.92Å; W308-H331 AromaticContact CD1-CG 3.51Å; W308-H331 AromaticContact CD1-ND1 3.36Å; W308-H331 HydrophobicContact CD2-CB 3.83Å; W308-H331 AromaticContact CD2-CG 3.81Å; W308-H331 VanDerWaalsContact CE2-CB 3.43Å; W308-H331 AromaticContact CE2-CG 3.85Å; W308-H331 HydrophobicContact CG-CB 4.11Å; W308-H331 AromaticContact CG-CD2 3.8Å; W308-H331 AromaticContact CG-CG 3.6Å; W308-H331 AromaticContact CG-ND1 3.78Å; W308-H331 HydrophobicContact CZ2-CB 3.83Å; W308-H331 AromaticContact NE1-CG 3.63Å; W308-H331 AromaticContact NE1-ND1 3.76Å; H327-H331 AromaticContact CE1-NE2 3.52Å; H327-H331 AromaticContact NE2-NE2 3.87Å; I328-H331 WeakPolarHBondContact O-CB 3.43Å; I328-H331 PolarHBondContact O-N 3.23Å; H331-G333 PolarHBondContact O-N 3.43Å |
| 332 | T | 76.3 | Confident | 80.6 | Confident | 21 Ų | 21 | 56.3 Ų | 56.3 | 13% | 0.129 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -75.2 | -13.5 | 174.3 | 64.9 | 0 | 0 | 0 | 0 | 113.4 | M284 L287 I328 E334 | M284-T332 HydrophobicContact CE-CG2 4.19Å; L287-T332 HydrophobicContact CD2-CG2 3.53Å; I328-T332 HydrophobicContact CG2-CG2 4.47Å; I328-T332 PolarHBondContact O-N 3.26Å; I328-T332 VanDerWaalsContact O-N 3.16Å; T332-E334 PolarHBondContact O-N 3.41Å; T332-E334 VanDerWaalsContact O-N 3.11Å; T332-E334 PolarHBondContact OG1-N 3.15Å |
| 333 | G | 74.8 | Confident | 80.8 | Confident | 36 Ų | 36 | 54.2 Ų | 54.2 | 37% | 0.371 | 32% | 0.32 | S | S | . | . | trans | 68.3 | 1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | R329 H331 K335 | R329-G333 PolarHBondContact O-N 3.48Å; H331-G333 PolarHBondContact O-N 3.43Å; G333-K335 WeakPolarHBondContact O-CE 3.18Å | ||
| 334 | E | 73.5 | Confident | 81 | Confident | 30 Ų | 30 | 50.5 Ų | 50.5 | 14% | 0.14 | 31% | 0.306 | C | S | . | . | trans | -65.4 | 141 | -170.9 | -83.5 | -165.4 | 112.3 | 0 | 0 | 114.3 | L262 M284 T332 | L262-E334 WeakPolarHBondContact CD1-OE2 3.41Å; L262-E334 HydrophobicContact CD2-CG 3.75Å; M284-E334 VanDerWaalsContact CB-OE2 3.26Å; M284-E334 WeakPolarHBondContact CB-OE2 3.25Å; T332-E334 PolarHBondContact O-N 3.41Å; T332-E334 VanDerWaalsContact O-N 3.11Å; T332-E334 PolarHBondContact OG1-N 3.15Å | ||
| 335 | K | 77.6 | Confident | 81 | Confident | 115 Ų | 115 | 53.7 Ų | 53.7 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | trans | -131.6 | 64.4 | -176 | -68.4 | 160.4 | -161.1 | 157 | 0 | 111 | G333 F337 V347 F348 A349 | G333-K335 WeakPolarHBondContact O-CE 3.18Å; K335-F337 PolarHBondContact O-N 2.98Å; K335-V347 HydrophobicContact CB-CB 3.74Å; K335-V347 HydrophobicContact CB-CG2 3.72Å; K335-V347 HydrophobicContact CD-CG2 3.75Å; K335-V347 HydrophobicContact CG-CG2 4.34Å; K335-F348 CarbonylContact C-O 3.15Å; K335-F348 WeakPolarHBondContact CA-O 3.44Å; K335-A349 HydrophobicContact CG-CB 4.46Å | ||
| 336 | P | 76.9 | Confident | 81.2 | Confident | 59 Ų | 59 | 58.3 Ų | 58.3 | 38% | 0.383 | 36% | 0.357 | S | S | . | . | trans | -70.7 | 4.7 | -169.4 | 30.8 | -38.1 | 0 | 0 | 0 | 115 | P338 | P336-P338 VanDerWaalsContact C-CD 3.48Å; P336-P338 WeakPolarHBondContact O-CD 3.34Å | ||
| 337 | F | 81.7 | Confident | 81.3 | Confident | 60 Ų | 60 | 59.2 Ų | 59.2 | 26% | 0.263 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 82.5 | 175.9 | -55.9 | -69.1 | 0 | 0 | 0 | 110.5 | R329 K335 F348 A349 S351 L354 | R329-F337 VanDerWaalsContact NH1-CE2 3.3Å; K335-F337 PolarHBondContact O-N 2.98Å; F337-F348 HydrophobicContact CB-CB 4.31Å; F337-F348 WeakPolarHBondContact CB-O 3.17Å; F337-F348 WeakPolarHBondContact CD2-O 3.26Å; F337-F348 PolarHBondContact N-O 2.91Å; F337-F348 PolarHBondContact O-N 2.74Å; F337-A349 WeakPolarHBondContact CE2-O 3.37Å; F337-S351 VanDerWaalsContact CD2-N 3.25Å; F337-L354 HydrophobicContact CB-CB 4.13Å; F337-L354 HydrophobicContact CB-CD2 3.87Å |
| 338 | P | 81.7 | Confident | 81.3 | Confident | 68 Ų | 68 | 59.9 Ų | 59.9 | 44% | 0.442 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 149.2 | 173.3 | 28.8 | -35 | 0 | 0 | 0 | 111.9 | P336 V347 L354 | P336-P338 VanDerWaalsContact C-CD 3.48Å; P336-P338 WeakPolarHBondContact O-CD 3.34Å; P338-V347 HydrophobicContact CB-CG1 4.05Å; P338-L354 WeakPolarHBondContact O-CD2 3.29Å |
| 339 | C | 88.2 | Confident | 81.2 | Confident | 14 Ų | 14 | 61.3 Ų | 61.3 | 10% | 0.095 | 38% | 0.379 | C | S | . | . | trans | -74.5 | 124.1 | 169.4 | -165.4 | 0 | 0 | 0 | 0 | 110.4 | F341 C344 K346 L354 H357 | C339-F341 PolarHBondContact O-N 2.96Å; C339-C344 HydrophobicContact CB-CB 4.34Å; C339-K346 WeakPolarHBondContact CB-O 3.2Å; C339-K346 PolarHBondContact N-O 3.37Å; C339-L354 HydrophobicContact CB-CD1 4.16Å; C339-H357 PolarHBondContact SG-CD2 3.2Å; C339-H357 PolarHBondContact SG-NE2 3Å | ||
| 340 | P | 85.6 | Confident | 81.2 | Confident | 75 Ų | 75 | 63.7 Ų | 63.7 | 49% | 0.487 | 39% | 0.388 | S | S | . | . | trans | -80.6 | -1.9 | -179 | 34.1 | -37.1 | 0 | 0 | 0 | 113.6 | ||||
| 341 | F | 84.1 | Confident | 81.2 | Confident | 71 Ų | 71 | 62.1 Ų | 62.1 | 31% | 0.311 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -74.2 | 125.3 | 176 | -77.5 | -87.2 | 0 | 0 | 0 | 109.8 | C339 C344 K358 H361 T362 | C339-F341 PolarHBondContact O-N 2.96Å; F341-C344 HydrophobicContact CB-CB 4.08Å; F341-C344 WeakPolarHBondContact O-CB 3.46Å; F341-C344 PolarHBondContact O-N 3.02Å; F341-K358 HydrophobicContact CE2-CB 4.15Å; F341-K358 HydrophobicContact CE2-CG 4.05Å; F341-H361 HydrophobicContact CD1-CB 3.8Å; F341-H361 AromaticContact CD1-CG 3.96Å; F341-H361 HydrophobicContact CD2-CB 3.91Å; F341-H361 AromaticContact CD2-CD2 3.39Å; F341-H361 WeakPolarHBondContact CD2-CD2 3.5Å; F341-H361 AromaticContact CD2-CG 3.66Å; F341-H361 HydrophobicContact CE1-CB 3.63Å; F341-H361 HydrophobicContact CE2-CB 3.74Å; F341-H361 AromaticContact CE2-CD2 3.86Å; F341-H361 AromaticContact CE2-CG 3.99Å; F341-H361 HydrophobicContact CG-CB 3.94Å; F341-H361 AromaticContact CG-CD2 3.74Å; F341-H361 AromaticContact CG-CG 3.64Å; F341-H361 HydrophobicContact CZ-CB 3.6Å; F341-T362 HydrophobicContact CZ-CG2 4.23Å |
| 342 | P | 81.4 | Confident | 81.5 | Confident | 100 Ų | 100 | 64.9 Ų | 64.9 | 65% | 0.649 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 149.9 | 179.3 | 26.6 | -34.5 | 0 | 0 | 0 | 111 | C344 | P342-C344 PolarHBondContact O-N 3.31Š|
| 343 | G | 82.6 | Confident | 82 | Confident | 91 Ų | 91 | 66.7 Ų | 66.7 | 94% | 0.938 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | -8.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 344 | C | 87.7 | Confident | 82.6 | Confident | 22 Ų | 22 | 66 Ų | 66 | 15% | 0.149 | 39% | 0.392 | C | S | . | . | trans | -78.4 | -41.9 | -174.7 | -174.9 | 0 | 0 | 0 | 0 | 114.3 | C339 F341 P342 K346 H357 H361 | C339-C344 HydrophobicContact CB-CB 4.34Å; F341-C344 HydrophobicContact CB-CB 4.08Å; F341-C344 WeakPolarHBondContact O-CB 3.46Å; F341-C344 PolarHBondContact O-N 3.02Å; P342-C344 PolarHBondContact O-N 3.31Å; C344-K346 PolarHBondContact O-N 3.15Å; C344-H357 PolarHBondContact SG-NE2 3.41Å; C344-H361 PolarHBondContact SG-CE1 3.12Å; C344-H361 PolarHBondContact SG-NE2 3.46Å | ||
| 345 | G | 81.9 | Confident | 83.3 | Confident | 68 Ų | 68 | 71.5 Ų | 71.5 | 70% | 0.701 | 42% | 0.415 | S | S | * | . | trans | 64 | -11.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 346 | K | 83.1 | Confident | 83.8 | Confident | 123 Ų | 123 | 68.1 Ų | 68.1 | 54% | 0.535 | 40% | 0.402 | S | S | . | . | trans | -73.3 | 130.7 | -171.6 | -69.9 | 167 | -170 | 172.7 | 0 | 112.2 | C339 C344 F348 | C339-K346 WeakPolarHBondContact CB-O 3.2Å; C339-K346 PolarHBondContact N-O 3.37Å; C344-K346 PolarHBondContact O-N 3.15Å; K346-F348 HydrophobicContact CB-CE2 3.76Å; K346-F348 HydrophobicContact CB-CZ 3.91Å | ||
| 347 | V | 84 | Confident | 84.3 | Confident | 71 Ų | 71 | 66 Ų | 66 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 142.5 | -179.5 | -68.5 | 0 | 0 | 0 | 0 | 111.3 | K335 P338 | K335-V347 HydrophobicContact CB-CB 3.74Å; K335-V347 HydrophobicContact CB-CG2 3.72Å; K335-V347 HydrophobicContact CD-CG2 3.75Å; K335-V347 HydrophobicContact CG-CG2 4.34Å; P338-V347 HydrophobicContact CB-CG1 4.05Å |
| 348 | F | 82.3 | Confident | 84.6 | Confident | 41 Ų | 41 | 67.3 Ų | 67.3 | 18% | 0.18 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 143.4 | -172.7 | -59.8 | -91.3 | 0 | 0 | 0 | 113.1 | K335 F337 K346 N353 L354 H357 | K335-F348 CarbonylContact C-O 3.15Å; K335-F348 WeakPolarHBondContact CA-O 3.44Å; F337-F348 HydrophobicContact CB-CB 4.31Å; F337-F348 WeakPolarHBondContact CB-O 3.17Å; F337-F348 WeakPolarHBondContact CD2-O 3.26Å; F337-F348 PolarHBondContact N-O 2.91Å; F337-F348 PolarHBondContact O-N 2.74Å; K346-F348 HydrophobicContact CB-CE2 3.76Å; K346-F348 HydrophobicContact CB-CZ 3.91Å; F348-N353 HydrophobicContact CB-CB 4.23Å; F348-N353 HydrophobicContact CD1-CB 3.76Å; F348-N353 HydrophobicContact CG-CB 4.28Å; F348-L354 HydrophobicContact CB-CB 4.39Å; F348-L354 HydrophobicContact CD2-CB 4.16Å; F348-L354 HydrophobicContact CD2-CD1 4.11Å; F348-L354 HydrophobicContact CE2-CD1 4.36Å; F348-L354 HydrophobicContact CG-CB 4.39Å; F348-H357 HydrophobicContact CE1-CB 4.05Å; F348-H357 HydrophobicContact CE2-CB 3.96Å; F348-H357 AromaticContact CE2-CD2 3.23Å; F348-H357 WeakPolarHBondContact CE2-CD2 3.35Å; F348-H357 AromaticContact CE2-CG 3.73Å; F348-H357 HydrophobicContact CZ-CB 3.54Å; F348-H357 AromaticContact CZ-CD2 3.31Å; F348-H357 WeakPolarHBondContact CZ-CD2 3.37Å; F348-H357 AromaticContact CZ-CG 3.35Å |
| 349 | A | 79.4 | Confident | 85 | Confident | 30 Ų | 30 | 66.3 Ų | 66.3 | 25% | 0.248 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -75.3 | -21 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | R329 K335 F337 | R329-A349 PolarHBondContact NH1-O 3.06Å; K335-A349 HydrophobicContact CG-CB 4.46Å; F337-A349 WeakPolarHBondContact CE2-O 3.37Å |
| 350 | R | 81.2 | Confident | 85 | Confident | 91 Ų | 91 | 70.1 Ų | 70.1 | 34% | 0.343 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -129.6 | 137.6 | -177.1 | -50.1 | -166.7 | -51.6 | 119.6 | 3.1 | 111.7 | E352 N353 L354 | R350-E352 VanDerWaalsContact C-N 3.33Å; R350-E352 IonicContact CZ-OE2 3.65Å; R350-E352 IonicContact NH1-OE2 3.48Å; R350-E352 PolarHBondContact NH1-OE2 2.91Å; R350-E352 IonicContact NH2-OE2 2.7Å; R350-E352 PolarHBondContact NH2-OE2 2.72Å; R350-E352 PolarHBondContact O-N 3.33Å; R350-N353 HydrophobicContact CB-CB 4.48Å; R350-N353 PolarHBondContact NH2-OD1 3.32Å; R350-N353 WeakPolarHBondContact O-CB 3.41Å; R350-N353 PolarHBondContact O-N 3.3Å; R350-N353 VanDerWaalsContact O-N 3.15Å; R350-L354 PolarHBondContact O-N 3.11Å |
| 351 | S | 81.9 | Confident | 85 | Confident | 73 Ų | 73 | 70.1 Ų | 70.1 | 51% | 0.51 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.7 | -35.2 | 179.9 | 51.7 | 0 | 0 | 0 | 0 | 113 | F337 N353 L354 K355 | F337-S351 VanDerWaalsContact CD2-N 3.25Å; S351-N353 PolarHBondContact O-N 3.25Å; S351-L354 PolarHBondContact O-N 2.99Å; S351-K355 PolarHBondContact O-N 3.13Å |
| 352 | E | 85.1 | Confident | 85.1 | Confident | 104 Ų | 104 | 70.4 Ų | 70.4 | 49% | 0.486 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.1 | -44.8 | 172 | -178 | -174.4 | -139.5 | 0 | 0 | 111.8 | R350 L354 K355 I356 | R350-E352 VanDerWaalsContact C-N 3.33Å; R350-E352 IonicContact CZ-OE2 3.65Å; R350-E352 IonicContact NH1-OE2 3.48Å; R350-E352 PolarHBondContact NH1-OE2 2.91Å; R350-E352 IonicContact NH2-OE2 2.7Å; R350-E352 PolarHBondContact NH2-OE2 2.72Å; R350-E352 PolarHBondContact O-N 3.33Å; E352-L354 VanDerWaalsContact C-N 3.32Å; E352-L354 PolarHBondContact O-N 3.2Å; E352-K355 PolarHBondContact O-N 3.1Å; E352-I356 HydrophobicContact CG-CD1 3.99Å; E352-I356 WeakPolarHBondContact O-CG1 3.47Å; E352-I356 PolarHBondContact O-N 3.14Å |
| 353 | N | 86.7 | Confident | 85.3 | Confident | 59 Ų | 59 | 68 Ų | 68 | 32% | 0.316 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 177.3 | -71.5 | 5.3 | 0 | 0 | 0 | 110.9 | F348 R350 S351 I356 H357 | F348-N353 HydrophobicContact CB-CB 4.23Å; F348-N353 HydrophobicContact CD1-CB 3.76Å; F348-N353 HydrophobicContact CG-CB 4.28Å; R350-N353 HydrophobicContact CB-CB 4.48Å; R350-N353 PolarHBondContact NH2-OD1 3.32Å; R350-N353 WeakPolarHBondContact O-CB 3.41Å; R350-N353 PolarHBondContact O-N 3.3Å; R350-N353 VanDerWaalsContact O-N 3.15Å; S351-N353 PolarHBondContact O-N 3.25Å; N353-I356 PolarHBondContact O-N 2.68Å; N353-H357 VanDerWaalsContact O-CB 3.32Å; N353-H357 WeakPolarHBondContact O-CB 3.39Å; N353-H357 PolarHBondContact O-N 2.78Å |
| 354 | L | 87.8 | Confident | 85.5 | Confident | 22 Ų | 22 | 67.9 Ų | 67.9 | 12% | 0.115 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 173.1 | 173.1 | 60.4 | 0 | 0 | 0 | 111.5 | F337 P338 C339 F348 R350 S351 E352 I356 H357 K358 | F337-L354 HydrophobicContact CB-CB 4.13Å; F337-L354 HydrophobicContact CB-CD2 3.87Å; P338-L354 WeakPolarHBondContact O-CD2 3.29Å; C339-L354 HydrophobicContact CB-CD1 4.16Å; F348-L354 HydrophobicContact CB-CB 4.39Å; F348-L354 HydrophobicContact CD2-CB 4.16Å; F348-L354 HydrophobicContact CD2-CD1 4.11Å; F348-L354 HydrophobicContact CE2-CD1 4.36Å; F348-L354 HydrophobicContact CG-CB 4.39Å; R350-L354 PolarHBondContact O-N 3.11Å; S351-L354 PolarHBondContact O-N 2.99Å; E352-L354 VanDerWaalsContact C-N 3.32Å; E352-L354 PolarHBondContact O-N 3.2Å; L354-I356 VanDerWaalsContact C-N 3.33Å; L354-I356 PolarHBondContact O-N 3.24Å; L354-H357 CarbonylContact O-C 3.48Å; L354-H357 PolarHBondContact O-N 2.87Å; L354-H357 VanDerWaalsContact O-N 3.11Å; L354-K358 HydrophobicContact CD1-CG 4.21Å; L354-K358 WeakPolarHBondContact O-CG 3.38Å; L354-K358 PolarHBondContact O-N 3.05Å |
| 355 | K | 87.9 | Confident | 85.5 | Confident | 145 Ų | 145 | 72.6 Ų | 72.6 | 63% | 0.63 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61.7 | -41 | 177.8 | -170.7 | 173.7 | -177.4 | 174.2 | 0 | 111.8 | S351 E352 | S351-K355 PolarHBondContact O-N 3.13Å; E352-K355 PolarHBondContact O-N 3.1Å |
| 356 | I | 88.2 | Confident | 85.8 | Confident | 43 Ų | 43 | 72.2 Ų | 72.2 | 22% | 0.221 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 173 | -67.3 | 166 | 0 | 0 | 0 | 110.9 | E352 N353 L354 R359 N380 | E352-I356 HydrophobicContact CG-CD1 3.99Å; E352-I356 WeakPolarHBondContact O-CG1 3.47Å; E352-I356 PolarHBondContact O-N 3.14Å; N353-I356 PolarHBondContact O-N 2.68Å; L354-I356 VanDerWaalsContact C-N 3.33Å; L354-I356 PolarHBondContact O-N 3.24Å; I356-R359 WeakPolarHBondContact O-CB 3.41Å; I356-R359 PolarHBondContact O-N 3.31Å; I356-N380 HydrophobicContact CD1-CB 3.82Å; I356-N380 HydrophobicContact CG1-CB 4.02Å; I356-N380 HydrophobicContact CG2-CB 3.86Å |
| 357 | H | 88.2 | Confident | 86 | Confident | 16 Ų | 16 | 69.1 Ų | 69.1 | 7% | 0.074 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69.5 | -35.7 | 177.7 | 175.3 | 45.2 | 0 | 0 | 0 | 113.5 | C339 C344 F348 N353 L354 R359 T360 H361 | C339-H357 PolarHBondContact SG-CD2 3.2Å; C339-H357 PolarHBondContact SG-NE2 3Å; C344-H357 PolarHBondContact SG-NE2 3.41Å; F348-H357 HydrophobicContact CE1-CB 4.05Å; F348-H357 HydrophobicContact CE2-CB 3.96Å; F348-H357 AromaticContact CE2-CD2 3.23Å; F348-H357 WeakPolarHBondContact CE2-CD2 3.35Å; F348-H357 AromaticContact CE2-CG 3.73Å; F348-H357 HydrophobicContact CZ-CB 3.54Å; F348-H357 AromaticContact CZ-CD2 3.31Å; F348-H357 WeakPolarHBondContact CZ-CD2 3.37Å; F348-H357 AromaticContact CZ-CG 3.35Å; N353-H357 VanDerWaalsContact O-CB 3.32Å; N353-H357 WeakPolarHBondContact O-CB 3.39Å; N353-H357 PolarHBondContact O-N 2.78Å; L354-H357 CarbonylContact O-C 3.48Å; L354-H357 PolarHBondContact O-N 2.87Å; L354-H357 VanDerWaalsContact O-N 3.11Å; H357-R359 PolarHBondContact O-N 3.09Å; H357-R359 VanDerWaalsContact O-N 3.1Å; H357-T360 PolarHBondContact CE1-OG1 3.43Å; H357-T360 VanDerWaalsContact CE1-OG1 3.26Å; H357-T360 PolarHBondContact ND1-OG1 3.02Å; H357-T360 PolarHBondContact O-N 3.31Å; H357-T360 PolarHBondContact O-OG1 2.97Å; H357-H361 AromaticContact CE1-CD2 3.81Å; H357-H361 AromaticContact CE1-CE1 3.99Å; H357-H361 AromaticContact CE1-NE2 3.12Å; H357-H361 PolarHBondContact CE1-NE2 2.77Å; H357-H361 AromaticContact NE2-CD2 3.84Å; H357-H361 AromaticContact NE2-NE2 3.05Å; H357-H361 PolarHBondContact NE2-NE2 2.91Å |
| 358 | K | 87.8 | Confident | 86.3 | Confident | 86 Ų | 86 | 70 Ų | 70 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -53.8 | -34 | 174.9 | -73.3 | -168.8 | -179.9 | -168.7 | 0 | 111.8 | F341 L354 T360 H361 T362 | F341-K358 HydrophobicContact CE2-CB 4.15Å; F341-K358 HydrophobicContact CE2-CG 4.05Å; L354-K358 HydrophobicContact CD1-CG 4.21Å; L354-K358 WeakPolarHBondContact O-CG 3.38Å; L354-K358 PolarHBondContact O-N 3.05Å; K358-T360 VanDerWaalsContact C-N 3.25Å; K358-T360 PolarHBondContact O-N 3.23Å; K358-H361 WeakPolarHBondContact O-CB 3.2Å; K358-H361 PolarHBondContact O-N 3.14Å; K358-T362 PolarHBondContact O-N 3.44Å |
| 359 | R | 90.3 | Very high | 86.7 | Confident | 48 Ų | 48 | 68.4 Ų | 68.4 | 18% | 0.181 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65 | -19.8 | 174.6 | -61.3 | -171.7 | 169.5 | 136.9 | 1.1 | 115.4 | I356 H357 H361 T362 G363 E364 A379 | I356-R359 WeakPolarHBondContact O-CB 3.41Å; I356-R359 PolarHBondContact O-N 3.31Å; H357-R359 PolarHBondContact O-N 3.09Å; H357-R359 VanDerWaalsContact O-N 3.1Å; R359-H361 PolarHBondContact O-N 3.07Å; R359-T362 WeakPolarHBondContact CA-OG1 3.46Å; R359-G363 CarbonylContact O-C 3.55Å; R359-G363 WeakPolarHBondContact O-CA 3.36Å; R359-G363 PolarHBondContact O-N 3.19Å; R359-E364 HydrophobicContact CB-CB 3.84Å; R359-E364 HydrophobicContact CG-CB 3.73Å; R359-E364 IonicContact NE-OE2 2.71Å; R359-E364 PolarHBondContact NE-OE2 2.83Å; R359-E364 VanDerWaalsContact NE-OE2 3.14Å; R359-E364 PolarHBondContact O-N 3.25Å; R359-A379 HydrophobicContact CB-CB 4.01Å; R359-A379 WeakPolarHBondContact CD-O 3.42Å; R359-A379 PolarHBondContact NH1-O 3.23Å |
| 360 | T | 87.1 | Confident | 87.1 | Confident | 94 Ų | 94 | 74.3 Ų | 74.3 | 58% | 0.577 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -76.6 | -12.4 | 172.4 | 72.2 | 0 | 0 | 0 | 0 | 112.5 | H357 K358 | H357-T360 PolarHBondContact CE1-OG1 3.43Å; H357-T360 VanDerWaalsContact CE1-OG1 3.26Å; H357-T360 PolarHBondContact ND1-OG1 3.02Å; H357-T360 PolarHBondContact O-N 3.31Å; H357-T360 PolarHBondContact O-OG1 2.97Å; K358-T360 VanDerWaalsContact C-N 3.25Å; K358-T360 PolarHBondContact O-N 3.23Å |
| 361 | H | 86.3 | Confident | 87.3 | Confident | 74 Ų | 74 | 75.3 Ų | 75.3 | 34% | 0.343 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -97.1 | -39.5 | 172.9 | -60.4 | -76 | 0 | 0 | 0 | 111.8 | F341 C344 H357 K358 R359 G363 | F341-H361 HydrophobicContact CD1-CB 3.8Å; F341-H361 AromaticContact CD1-CG 3.96Å; F341-H361 HydrophobicContact CD2-CB 3.91Å; F341-H361 AromaticContact CD2-CD2 3.39Å; F341-H361 WeakPolarHBondContact CD2-CD2 3.5Å; F341-H361 AromaticContact CD2-CG 3.66Å; F341-H361 HydrophobicContact CE1-CB 3.63Å; F341-H361 HydrophobicContact CE2-CB 3.74Å; F341-H361 AromaticContact CE2-CD2 3.86Å; F341-H361 AromaticContact CE2-CG 3.99Å; F341-H361 HydrophobicContact CG-CB 3.94Å; F341-H361 AromaticContact CG-CD2 3.74Å; F341-H361 AromaticContact CG-CG 3.64Å; F341-H361 HydrophobicContact CZ-CB 3.6Å; C344-H361 PolarHBondContact SG-CE1 3.12Å; C344-H361 PolarHBondContact SG-NE2 3.46Å; H357-H361 AromaticContact CE1-CD2 3.81Å; H357-H361 AromaticContact CE1-CE1 3.99Å; H357-H361 AromaticContact CE1-NE2 3.12Å; H357-H361 PolarHBondContact CE1-NE2 2.77Å; H357-H361 AromaticContact NE2-CD2 3.84Å; H357-H361 AromaticContact NE2-NE2 3.05Å; H357-H361 PolarHBondContact NE2-NE2 2.91Å; K358-H361 WeakPolarHBondContact O-CB 3.2Å; K358-H361 PolarHBondContact O-N 3.14Å; R359-H361 PolarHBondContact O-N 3.07Å; H361-G363 VanDerWaalsContact C-N 3.31Å |
| 362 | T | 86.3 | Confident | 87.4 | Confident | 77 Ų | 77 | 79 Ų | 79 | 47% | 0.472 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -81.4 | -7 | 175.8 | 60.9 | 0 | 0 | 0 | 0 | 113.9 | F341 K358 R359 E364 | F341-T362 HydrophobicContact CZ-CG2 4.23Å; K358-T362 PolarHBondContact O-N 3.44Å; R359-T362 WeakPolarHBondContact CA-OG1 3.46Å; T362-E364 PolarHBondContact O-N 2.74Å; T362-E364 WeakPolarHBondContact OG1-CG 3.38Å; T362-E364 PolarHBondContact OG1-OE1 2.84Å |
| 363 | G | 85.4 | Confident | 87.3 | Confident | 49 Ų | 49 | 77.4 Ų | 77.4 | 51% | 0.505 | 41% | 0.409 | S | S | . | . | trans | 73.4 | -4.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R359 H361 K365 | R359-G363 CarbonylContact O-C 3.55Å; R359-G363 WeakPolarHBondContact O-CA 3.36Å; R359-G363 PolarHBondContact O-N 3.19Å; H361-G363 VanDerWaalsContact C-N 3.31Å; G363-K365 PolarHBondContact O-N 2.84Å | ||
| 364 | E | 87.9 | Confident | 87.3 | Confident | 89 Ų | 89 | 75.2 Ų | 75.2 | 42% | 0.416 | 40% | 0.397 | S | S | . | . | trans | -51.1 | 119.8 | -177.6 | -84.6 | 169.9 | -112.7 | 0 | 0 | 113.4 | R359 T362 | R359-E364 HydrophobicContact CB-CB 3.84Å; R359-E364 HydrophobicContact CG-CB 3.73Å; R359-E364 IonicContact NE-OE2 2.71Å; R359-E364 PolarHBondContact NE-OE2 2.83Å; R359-E364 VanDerWaalsContact NE-OE2 3.14Å; R359-E364 PolarHBondContact O-N 3.25Å; T362-E364 PolarHBondContact O-N 2.74Å; T362-E364 WeakPolarHBondContact OG1-CG 3.38Å; T362-E364 PolarHBondContact OG1-OE1 2.84Å | ||
| 365 | K | 87.6 | Confident | 87.3 | Confident | 121 Ų | 121 | 79.8 Ų | 79.8 | 53% | 0.526 | 42% | 0.422 | S | S | . | . | trans | -126.6 | 75.2 | 172.8 | -68.9 | 163.1 | -178.4 | 174.4 | 0 | 110.5 | G363 F367 R377 F378 | G363-K365 PolarHBondContact O-N 2.84Å; K365-F367 VanDerWaalsContact C-N 3.27Å; K365-F367 PolarHBondContact O-N 2.93Å; K365-R377 HydrophobicContact CB-CB 3.56Å; K365-R377 HydrophobicContact CD-CB 4.42Å; K365-R377 WeakPolarHBondContact CD-O 3.43Å; K365-R377 PolarHBondContact O-NE 3.34Å; K365-R377 PolarHBondContact O-NH2 3.3Å; K365-F378 CarbonylContact C-O 3.14Å; K365-F378 VanDerWaalsContact C-O 3.27Å; K365-F378 VanDerWaalsContact CA-O 3.28Å; K365-F378 WeakPolarHBondContact CA-O 3.38Å | ||
| 366 | P | 87.4 | Confident | 87.3 | Confident | 60 Ų | 60 | 80.3 Ų | 80.3 | 39% | 0.39 | 42% | 0.42 | S | S | . | . | trans | -62.1 | -34.3 | -174.3 | -23.3 | 34.9 | 0 | 0 | 0 | 113.1 | K368 | P366-K368 PolarHBondContact O-N 3.16Š| ||
| 367 | F | 88.3 | Confident | 87.4 | Confident | 59 Ų | 59 | 85.2 Ų | 85.2 | 26% | 0.259 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 90.9 | -169.9 | -53.9 | -84.1 | 0 | 0 | 0 | 110.9 | K365 R377 F378 N380 R384 | K365-F367 VanDerWaalsContact C-N 3.27Å; K365-F367 PolarHBondContact O-N 2.93Å; F367-R377 CarbonylContact O-C 3.57Å; F367-R377 WeakPolarHBondContact O-CA 3.46Å; F367-F378 HydrophobicContact CB-CB 4.38Å; F367-F378 WeakPolarHBondContact CD2-O 3.25Å; F367-F378 PolarHBondContact N-O 3.09Å; F367-F378 VanDerWaalsContact N-O 3.16Å; F367-F378 PolarHBondContact O-N 2.06Å; F367-N380 VanDerWaalsContact CD2-CA 3.5Å; F367-R384 HydrophobicContact CB-CB 4.33Å |
| 368 | K | 89.8 | Confident | 87.4 | Confident | 89 Ų | 89 | 86.5 Ų | 86.5 | 39% | 0.387 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 148.4 | 164.3 | -169.6 | -176.2 | 153.9 | 161.2 | 0 | 109.4 | P366 C374 D375 R377 R384 | P366-K368 PolarHBondContact O-N 3.16Å; K368-C374 WeakPolarHBondContact CE-O 3.28Å; K368-D375 WeakPolarHBondContact CE-OD1 3.45Å; K368-D375 IonicContact NZ-OD1 2.71Å; K368-D375 PolarHBondContact NZ-OD1 2.82Å; K368-R377 HydrophobicContact CB-CG 4.06Å; K368-R377 HydrophobicContact CG-CG 4.16Å; K368-R384 WeakPolarHBondContact O-CD 3.45Å; K368-R384 PolarHBondContact O-NH1 2.91Å |
| 369 | C | 91 | Very high | 87.4 | Confident | 8 Ų | 8 | 83.4 Ų | 83.4 | 5% | 0.054 | 43% | 0.432 | C | S | . | . | trans | -57.6 | 149.8 | 165.4 | -151.7 | 0 | 0 | 0 | 0 | 110.8 | C374 R376 | C369-C374 HydrophobicContact CB-CB 4.19Å; C369-R376 PolarHBondContact N-O 3.26Å | ||
| 370 | E | 87.3 | Confident | 87.4 | Confident | 153 Ų | 153 | 82 Ų | 82 | 72% | 0.715 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -100 | -0.4 | -179.1 | -72.2 | 155.3 | 164.4 | 0 | 0 | 111.9 | R384 | E370-R384 IonicContact OE1-CZ 3.91Å; E370-R384 IonicContact OE1-NH1 2.68Å; E370-R384 PolarHBondContact OE1-NH1 3.37Å; E370-R384 IonicContact OE1-NH2 2.72Å; E370-R384 PolarHBondContact OE1-NH2 3.43Å; E370-R384 IonicContact OE2-CZ 2.68Å; E370-R384 IonicContact OE2-NE 3.14Å; E370-R384 IonicContact OE2-NH1 3.64Å; E370-R384 PolarHBondContact OE2-NH1 2.88Å; E370-R384 IonicContact OE2-NH2 3.71Å; E370-R384 PolarHBondContact OE2-NH2 3.34Å |
| 371 | F | 85.9 | Confident | 87.4 | Confident | 113 Ų | 113 | 80.3 Ų | 80.3 | 50% | 0.496 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -83.1 | 132.3 | 172.3 | -172.7 | -95.5 | 0 | 0 | 0 | 109.9 | C374 H391 | F371-C374 HydrophobicContact CB-CB 4.35Å; F371-C374 HydrophobicContact CD1-CB 4.2Å; F371-C374 WeakPolarHBondContact O-CB 3.29Å; F371-C374 PolarHBondContact O-N 2.84Å; F371-H391 HydrophobicContact CB-CB 4.32Å; F371-H391 VanDerWaalsContact CB-CD2 3.46Å; F371-H391 WeakPolarHBondContact CB-CD2 3.45Å; F371-H391 HydrophobicContact CD1-CB 4.1Å; F371-H391 AromaticContact CD1-CE1 3.62Å; F371-H391 AromaticContact CD1-CG 3.55Å; F371-H391 AromaticContact CD1-ND1 3.27Å; F371-H391 VanDerWaalsContact CD1-ND1 3.27Å; F371-H391 WeakPolarHBondContact CD1-ND1 3.47Å; F371-H391 HydrophobicContact CD2-CB 3.58Å; F371-H391 AromaticContact CD2-CG 3.85Å; F371-H391 HydrophobicContact CE1-CB 4.32Å; F371-H391 AromaticContact CE1-ND1 3.65Å; F371-H391 HydrophobicContact CE2-CB 3.82Å; F371-H391 HydrophobicContact CG-CB 3.72Å; F371-H391 AromaticContact CG-CD2 3.7Å; F371-H391 AromaticContact CG-CG 3.42Å; F371-H391 VanDerWaalsContact CG-CG 3.42Å; F371-H391 AromaticContact CG-ND1 3.68Å; F371-H391 HydrophobicContact CZ-CB 4.19Å |
| 372 | D | 82.3 | Confident | 87.4 | Confident | 151 Ų | 151 | 80.2 Ų | 80.2 | 81% | 0.807 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 149.3 | -178.2 | -166.9 | 28.1 | 0 | 0 | 0 | 112.2 | C374 | D372-C374 PolarHBondContact O-N 3.09Š|
| 373 | G | 83.1 | Confident | 87.4 | Confident | 70 Ų | 70 | 79.5 Ų | 79.5 | 72% | 0.722 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 6.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 374 | C | 87.8 | Confident | 87.7 | Confident | 12 Ų | 12 | 79.7 Ų | 79.7 | 8% | 0.081 | 41% | 0.406 | C | S | . | . | trans | -113.3 | 97.9 | 177 | -170.3 | 0 | 0 | 0 | 0 | 114 | K368 C369 F371 D372 R376 H387 H391 | K368-C374 WeakPolarHBondContact CE-O 3.28Å; C369-C374 HydrophobicContact CB-CB 4.19Å; F371-C374 HydrophobicContact CB-CB 4.35Å; F371-C374 HydrophobicContact CD1-CB 4.2Å; F371-C374 WeakPolarHBondContact O-CB 3.29Å; F371-C374 PolarHBondContact O-N 2.84Å; D372-C374 PolarHBondContact O-N 3.09Å; C374-R376 PolarHBondContact O-N 3.33Å; C374-H387 PolarHBondContact SG-NE2 3.03Å; C374-H391 PolarHBondContact SG-CE1 3.06Å; C374-H391 PolarHBondContact SG-NE2 3.07Å | ||
| 375 | D | 88.3 | Confident | 87.6 | Confident | 118 Ų | 118 | 82.2 Ų | 82.2 | 63% | 0.631 | 42% | 0.416 | S | S | * | . | trans | -81 | 13 | 176.7 | -74.4 | -61.7 | 0 | 0 | 0 | 115.6 | K368 R377 | K368-D375 WeakPolarHBondContact CE-OD1 3.45Å; K368-D375 IonicContact NZ-OD1 2.71Å; K368-D375 PolarHBondContact NZ-OD1 2.82Å; D375-R377 PolarHBondContact O-N 3.18Å | ||
| 376 | R | 87.1 | Confident | 87.3 | Confident | 157 Ų | 157 | 81.3 Ų | 81.3 | 59% | 0.592 | 41% | 0.412 | S | S | * | . | trans | -66.8 | 122.3 | 176.9 | -77.9 | 178.7 | 160.9 | 139.5 | -3.3 | 111.2 | C369 C374 F378 H387 | C369-R376 PolarHBondContact N-O 3.26Å; C374-R376 PolarHBondContact O-N 3.33Å; R376-F378 HydrophobicContact CB-CE2 3.78Å; R376-F378 HydrophobicContact CB-CZ 3.94Å; R376-F378 WeakPolarHBondContact O-CE2 3.13Å; R376-H387 VanDerWaalsContact CD-NE2 3.28Å; R376-H387 WeakPolarHBondContact CD-NE2 3.49Å | ||
| 377 | R | 91.1 | Very high | 87.3 | Confident | 145 Ų | 145 | 79.2 Ų | 79.2 | 55% | 0.547 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 143.9 | 177.5 | -54.2 | -178.8 | 67.9 | 157.2 | 7.9 | 112 | K365 F367 K368 D375 | K365-R377 HydrophobicContact CB-CB 3.56Å; K365-R377 HydrophobicContact CD-CB 4.42Å; K365-R377 WeakPolarHBondContact CD-O 3.43Å; K365-R377 PolarHBondContact O-NE 3.34Å; K365-R377 PolarHBondContact O-NH2 3.3Å; F367-R377 CarbonylContact O-C 3.57Å; F367-R377 WeakPolarHBondContact O-CA 3.46Å; K368-R377 HydrophobicContact CB-CG 4.06Å; K368-R377 HydrophobicContact CG-CG 4.16Å; D375-R377 PolarHBondContact O-N 3.18Å |
| 378 | F | 88.4 | Confident | 87 | Confident | 43 Ų | 43 | 78.6 Ų | 78.6 | 19% | 0.189 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 150.1 | -173.5 | -59.5 | -91.9 | 0 | 0 | 0 | 112.3 | K365 F367 R376 N380 D383 R384 H387 | K365-F378 CarbonylContact C-O 3.14Å; K365-F378 VanDerWaalsContact C-O 3.27Å; K365-F378 VanDerWaalsContact CA-O 3.28Å; K365-F378 WeakPolarHBondContact CA-O 3.38Å; F367-F378 HydrophobicContact CB-CB 4.38Å; F367-F378 WeakPolarHBondContact CD2-O 3.25Å; F367-F378 PolarHBondContact N-O 3.09Å; F367-F378 VanDerWaalsContact N-O 3.16Å; F367-F378 PolarHBondContact O-N 2.06Å; R376-F378 HydrophobicContact CB-CE2 3.78Å; R376-F378 HydrophobicContact CB-CZ 3.94Å; R376-F378 WeakPolarHBondContact O-CE2 3.13Å; F378-N380 VanDerWaalsContact C-N 3.31Å; F378-N380 WeakPolarHBondContact CB-O 3.39Å; F378-D383 HydrophobicContact CD1-CB 4.03Å; F378-R384 HydrophobicContact CB-CB 4.24Å; F378-R384 HydrophobicContact CD2-CB 3.76Å; F378-R384 HydrophobicContact CD2-CG 4Å; F378-R384 HydrophobicContact CE2-CB 4.49Å; F378-R384 HydrophobicContact CE2-CG 4.45Å; F378-R384 HydrophobicContact CG-CB 4.07Å; F378-H387 HydrophobicContact CE1-CB 3.99Å; F378-H387 HydrophobicContact CE2-CB 4.03Å; F378-H387 AromaticContact CE2-CD2 3.42Å; F378-H387 VanDerWaalsContact CE2-CD2 3.42Å; F378-H387 WeakPolarHBondContact CE2-CD2 3.15Å; F378-H387 AromaticContact CE2-CG 3.96Å; F378-H387 HydrophobicContact CZ-CB 3.46Å; F378-H387 VanDerWaalsContact CZ-CB 3.46Å; F378-H387 AromaticContact CZ-CD2 3.28Å; F378-H387 WeakPolarHBondContact CZ-CD2 3.38Å; F378-H387 AromaticContact CZ-CG 3.42Å; F378-H387 VanDerWaalsContact CZ-CG 3.42Å |
| 379 | A | 87.9 | Confident | 86.5 | Confident | 21 Ų | 21 | 77.6 Ų | 77.6 | 17% | 0.174 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -77 | -15.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R359 | R359-A379 HydrophobicContact CB-CB 4.01Å; R359-A379 WeakPolarHBondContact CD-O 3.42Å; R359-A379 PolarHBondContact NH1-O 3.23Å |
| 380 | N | 89.1 | Confident | 86.1 | Confident | 20 Ų | 20 | 81.5 Ų | 81.5 | 11% | 0.107 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -143.8 | 154.8 | 174.8 | 69.8 | 82.5 | 0 | 0 | 0 | 111.8 | I356 F367 F378 S382 D383 R384 | I356-N380 HydrophobicContact CD1-CB 3.82Å; I356-N380 HydrophobicContact CG1-CB 4.02Å; I356-N380 HydrophobicContact CG2-CB 3.86Å; F367-N380 VanDerWaalsContact CD2-CA 3.5Å; F378-N380 VanDerWaalsContact C-N 3.31Å; F378-N380 WeakPolarHBondContact CB-O 3.39Å; N380-S382 WeakPolarHBondContact OD1-CB 3.34Å; N380-S382 PolarHBondContact OD1-N 3.06Å; N380-D383 PolarHBondContact ND2-OD2 3.25Å; N380-D383 PolarHBondContact OD1-N 3.11Å; N380-D383 PolarHBondContact OD1-OD2 2.82Å; N380-R384 PolarHBondContact O-N 2.65Å |
| 381 | S | 87.1 | Confident | 85.7 | Confident | 58 Ų | 58 | 76.6 Ų | 76.6 | 41% | 0.406 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69.8 | -30.4 | -178.9 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | R384 K385 | S381-R384 PolarHBondContact O-N 2.9Å; S381-K385 PolarHBondContact O-N 2.96Å |
| 382 | S | 87.1 | Confident | 85.1 | Confident | 72 Ų | 72 | 74.2 Ų | 74.2 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.9 | -38 | 179.7 | -55.6 | 0 | 0 | 0 | 0 | 112.5 | N380 K385 K386 | N380-S382 WeakPolarHBondContact OD1-CB 3.34Å; N380-S382 PolarHBondContact OD1-N 3.06Å; S382-K385 PolarHBondContact O-N 3.17Å; S382-K386 WeakPolarHBondContact O-CG 3.48Å; S382-K386 PolarHBondContact O-N 3.27Å |
| 383 | D | 86.8 | Confident | 84.3 | Confident | 62 Ų | 62 | 72 Ų | 72 | 33% | 0.332 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -76.1 | -32.7 | 176.2 | -68 | -24.9 | 0 | 0 | 0 | 112 | F378 N380 K386 H387 | F378-D383 HydrophobicContact CD1-CB 4.03Å; N380-D383 PolarHBondContact ND2-OD2 3.25Å; N380-D383 PolarHBondContact OD1-N 3.11Å; N380-D383 PolarHBondContact OD1-OD2 2.82Å; D383-K386 PolarHBondContact O-N 2.96Å; D383-K386 WeakPolarHBondContact OD1-CE 3.33Å; D383-K386 IonicContact OD1-NZ 3.21Å; D383-K386 PolarHBondContact OD1-NZ 3.43Å; D383-H387 WeakPolarHBondContact O-CB 3.47Å; D383-H387 PolarHBondContact O-N 2.83Å |
| 384 | R | 89.7 | Confident | 83.8 | Confident | 52 Ų | 52 | 74.1 Ų | 74.1 | 20% | 0.196 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.1 | -47.5 | 165.7 | -174.1 | -169.2 | 68.5 | 171.2 | 14.2 | 111.2 | F367 K368 E370 F378 N380 S381 K386 H387 S388 | F367-R384 HydrophobicContact CB-CB 4.33Å; K368-R384 WeakPolarHBondContact O-CD 3.45Å; K368-R384 PolarHBondContact O-NH1 2.91Å; E370-R384 IonicContact OE1-CZ 3.91Å; E370-R384 IonicContact OE1-NH1 2.68Å; E370-R384 PolarHBondContact OE1-NH1 3.37Å; E370-R384 IonicContact OE1-NH2 2.72Å; E370-R384 PolarHBondContact OE1-NH2 3.43Å; E370-R384 IonicContact OE2-CZ 2.68Å; E370-R384 IonicContact OE2-NE 3.14Å; E370-R384 IonicContact OE2-NH1 3.64Å; E370-R384 PolarHBondContact OE2-NH1 2.88Å; E370-R384 IonicContact OE2-NH2 3.71Å; E370-R384 PolarHBondContact OE2-NH2 3.34Å; F378-R384 HydrophobicContact CB-CB 4.24Å; F378-R384 HydrophobicContact CD2-CB 3.76Å; F378-R384 HydrophobicContact CD2-CG 4Å; F378-R384 HydrophobicContact CE2-CB 4.49Å; F378-R384 HydrophobicContact CE2-CG 4.45Å; F378-R384 HydrophobicContact CG-CB 4.07Å; N380-R384 PolarHBondContact O-N 2.65Å; S381-R384 PolarHBondContact O-N 2.9Å; R384-K386 VanDerWaalsContact C-N 3.33Å; R384-K386 PolarHBondContact O-N 3.01Å; R384-H387 CarbonylContact O-C 3.24Å; R384-H387 WeakPolarHBondContact O-CA 3.26Å; R384-H387 WeakPolarHBondContact O-CB 3.28Å; R384-H387 PolarHBondContact O-N 3.24Å; R384-S388 PolarHBondContact O-N 3.29Å |
| 385 | K | 85.9 | Confident | 83.2 | Confident | 143 Ų | 143 | 78.9 Ų | 78.9 | 62% | 0.622 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66.4 | -32.1 | 179.6 | -171.8 | 168.6 | -177.1 | 170.9 | 0 | 112.7 | S381 S382 H387 S388 H389 | S381-K385 PolarHBondContact O-N 2.96Å; S382-K385 PolarHBondContact O-N 3.17Å; K385-H387 VanDerWaalsContact C-N 3.31Å; K385-S388 PolarHBondContact O-OG 3.28Å; K385-H389 PolarHBondContact O-CD2 3.35Å |
| 386 | K | 82.9 | Confident | 82.7 | Confident | 101 Ų | 101 | 77.2 Ų | 77.2 | 44% | 0.439 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.3 | -37 | 168.6 | -68.5 | 164.8 | -154 | 162.9 | 0 | 111.5 | S382 D383 R384 | S382-K386 WeakPolarHBondContact O-CG 3.48Å; S382-K386 PolarHBondContact O-N 3.27Å; D383-K386 PolarHBondContact O-N 2.96Å; D383-K386 WeakPolarHBondContact OD1-CE 3.33Å; D383-K386 IonicContact OD1-NZ 3.21Å; D383-K386 PolarHBondContact OD1-NZ 3.43Å; R384-K386 VanDerWaalsContact C-N 3.33Å; R384-K386 PolarHBondContact O-N 3.01Å |
| 387 | H | 85.8 | Confident | 82.5 | Confident | 17 Ų | 17 | 73.8 Ų | 73.8 | 8% | 0.079 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -73 | -31.5 | 179 | 176.2 | 42.3 | 0 | 0 | 0 | 113.9 | C374 R376 F378 D383 R384 K385 H389 V390 H391 | C374-H387 PolarHBondContact SG-NE2 3.03Å; R376-H387 VanDerWaalsContact CD-NE2 3.28Å; R376-H387 WeakPolarHBondContact CD-NE2 3.49Å; F378-H387 HydrophobicContact CE1-CB 3.99Å; F378-H387 HydrophobicContact CE2-CB 4.03Å; F378-H387 AromaticContact CE2-CD2 3.42Å; F378-H387 VanDerWaalsContact CE2-CD2 3.42Å; F378-H387 WeakPolarHBondContact CE2-CD2 3.15Å; F378-H387 AromaticContact CE2-CG 3.96Å; F378-H387 HydrophobicContact CZ-CB 3.46Å; F378-H387 VanDerWaalsContact CZ-CB 3.46Å; F378-H387 AromaticContact CZ-CD2 3.28Å; F378-H387 WeakPolarHBondContact CZ-CD2 3.38Å; F378-H387 AromaticContact CZ-CG 3.42Å; F378-H387 VanDerWaalsContact CZ-CG 3.42Å; D383-H387 WeakPolarHBondContact O-CB 3.47Å; D383-H387 PolarHBondContact O-N 2.83Å; R384-H387 CarbonylContact O-C 3.24Å; R384-H387 WeakPolarHBondContact O-CA 3.26Å; R384-H387 WeakPolarHBondContact O-CB 3.28Å; R384-H387 PolarHBondContact O-N 3.24Å; K385-H387 VanDerWaalsContact C-N 3.31Å; H387-H389 PolarHBondContact O-N 2.88Å; H387-H389 VanDerWaalsContact O-N 3.15Å; H387-V390 VanDerWaalsContact O-CB 3.23Å; H387-V390 WeakPolarHBondContact O-CB 3.42Å; H387-V390 WeakPolarHBondContact O-CG2 3.44Å; H387-V390 PolarHBondContact O-N 3.13Å; H387-H391 AromaticContact CE1-NE2 3.57Å; H387-H391 AromaticContact NE2-NE2 3.34Å; H387-H391 PolarHBondContact NE2-NE2 2.83Å |
| 388 | S | 82.3 | Confident | 82.2 | Confident | 45 Ų | 45 | 71.5 Ų | 71.5 | 32% | 0.315 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.6 | -29.9 | 177.3 | 48.3 | 0 | 0 | 0 | 0 | 112.9 | R384 K385 V390 H391 T392 | R384-S388 PolarHBondContact O-N 3.29Å; K385-S388 PolarHBondContact O-OG 3.28Å; S388-V390 PolarHBondContact O-N 3.23Å; S388-H391 PolarHBondContact O-N 3.42Å; S388-T392 PolarHBondContact O-N 2.96Å |
| 389 | H | 80.7 | Confident | 82.2 | Confident | 69 Ų | 69 | 70.2 Ų | 70.2 | 32% | 0.319 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 13.1 | 169.6 | -56.6 | -72 | 0 | 0 | 0 | 114.9 | K385 H387 T409 | K385-H389 PolarHBondContact O-CD2 3.35Å; H387-H389 PolarHBondContact O-N 2.88Å; H387-H389 VanDerWaalsContact O-N 3.15Å; H389-T409 WeakPolarHBondContact O-CB 3.42Å; H389-T409 WeakPolarHBondContact O-CG2 3.34Å; H389-T409 PolarHBondContact O-OG1 3.34Å |
| 390 | V | 80.8 | Confident | 82 | Confident | 89 Ų | 89 | 77.3 Ų | 77.3 | 54% | 0.539 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -23.5 | 166.4 | -179 | 0 | 0 | 0 | 0 | 110.8 | H387 S388 | H387-V390 VanDerWaalsContact O-CB 3.23Å; H387-V390 WeakPolarHBondContact O-CB 3.42Å; H387-V390 WeakPolarHBondContact O-CG2 3.44Å; H387-V390 PolarHBondContact O-N 3.13Å; S388-V390 PolarHBondContact O-N 3.23Å |
| 391 | H | 79.8 | Confident | 81.8 | Confident | 50 Ų | 50 | 78.7 Ų | 78.7 | 23% | 0.231 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -26.8 | 174.9 | -55.8 | -64.7 | 0 | 0 | 0 | 111.9 | F371 C374 H387 S388 S393 | F371-H391 HydrophobicContact CB-CB 4.32Å; F371-H391 VanDerWaalsContact CB-CD2 3.46Å; F371-H391 WeakPolarHBondContact CB-CD2 3.45Å; F371-H391 HydrophobicContact CD1-CB 4.1Å; F371-H391 AromaticContact CD1-CE1 3.62Å; F371-H391 AromaticContact CD1-CG 3.55Å; F371-H391 AromaticContact CD1-ND1 3.27Å; F371-H391 VanDerWaalsContact CD1-ND1 3.27Å; F371-H391 WeakPolarHBondContact CD1-ND1 3.47Å; F371-H391 HydrophobicContact CD2-CB 3.58Å; F371-H391 AromaticContact CD2-CG 3.85Å; F371-H391 HydrophobicContact CE1-CB 4.32Å; F371-H391 AromaticContact CE1-ND1 3.65Å; F371-H391 HydrophobicContact CE2-CB 3.82Å; F371-H391 HydrophobicContact CG-CB 3.72Å; F371-H391 AromaticContact CG-CD2 3.7Å; F371-H391 AromaticContact CG-CG 3.42Å; F371-H391 VanDerWaalsContact CG-CG 3.42Å; F371-H391 AromaticContact CG-ND1 3.68Å; F371-H391 HydrophobicContact CZ-CB 4.19Å; C374-H391 PolarHBondContact SG-CE1 3.06Å; C374-H391 PolarHBondContact SG-NE2 3.07Å; H387-H391 AromaticContact CE1-NE2 3.57Å; H387-H391 AromaticContact NE2-NE2 3.34Å; H387-H391 PolarHBondContact NE2-NE2 2.83Å; S388-H391 PolarHBondContact O-N 3.42Å; H391-S393 PolarHBondContact O-N 3.01Å |
| 392 | T | 72.7 | Confident | 81.4 | Confident | 63 Ų | 63 | 87.5 Ų | 87.5 | 39% | 0.387 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -76.2 | 111.4 | 164.4 | -36.4 | 0 | 0 | 0 | 0 | 108.8 | S388 D394 | S388-T392 PolarHBondContact O-N 2.96Å; T392-D394 HydrophobicContact CG2-CB 4.01Å; T392-D394 VanDerWaalsContact CG2-OD2 3.27Å; T392-D394 WeakPolarHBondContact CG2-OD2 3.37Å; T392-D394 PolarHBondContact O-N 2.84Å |
| 393 | S | 66 | Low | 81 | Confident | 105 Ų | 105 | 87.9 Ų | 87.9 | 73% | 0.734 | 46% | 0.455 | S | S | * | . | trans | -66 | -15.4 | 178.3 | -64.4 | 0 | 0 | 0 | 0 | 113.8 | H391 K395 | H391-S393 PolarHBondContact O-N 3.01Å; S393-K395 PolarHBondContact O-N 3.47Å | ||
| 394 | D | 72.7 | Confident | 80.9 | Confident | 114 Ų | 114 | 85.2 Ų | 85.2 | 61% | 0.61 | 44% | 0.442 | S | S | * | . | trans | -62.6 | 126.3 | -178.9 | -59.1 | -44.5 | 0 | 0 | 0 | 112.5 | T392 P396 T409 | T392-D394 HydrophobicContact CG2-CB 4.01Å; T392-D394 VanDerWaalsContact CG2-OD2 3.27Å; T392-D394 WeakPolarHBondContact CG2-OD2 3.37Å; T392-D394 PolarHBondContact O-N 2.84Å; D394-P396 WeakPolarHBondContact O-CD 3.37Å; D394-T409 WeakPolarHBondContact O-CG2 3.34Å | ||
| 395 | K | 74.9 | Confident | 80.6 | Confident | 113 Ų | 113 | 90.2 Ų | 90.2 | 49% | 0.491 | 47% | 0.472 | S | S | . | . | trans | -113.7 | 64.6 | 177.1 | -65.8 | 169.4 | -170.1 | 168.3 | 0 | 110.7 | S393 Y397 N398 S407 Y408 T409 | S393-K395 PolarHBondContact O-N 3.47Å; K395-Y397 PolarHBondContact O-N 3.44Å; K395-N398 PolarHBondContact O-OD1 2.9Å; K395-S407 VanDerWaalsContact CD-OG 3.25Å; K395-S407 WeakPolarHBondContact CD-OG 3.41Å; K395-Y408 CarbonylContact C-O 3.58Å; K395-Y408 VanDerWaalsContact C-O 3.24Å; K395-Y408 WeakPolarHBondContact CA-O 3.35Å; K395-T409 HydrophobicContact CG-CG2 3.72Å | ||
| 396 | P | 77.8 | Confident | 80.5 | Confident | 83 Ų | 83 | 89.1 Ų | 89.1 | 54% | 0.539 | 47% | 0.467 | S | S | . | . | trans | -66.9 | -9.7 | -171.7 | 28.6 | -36.6 | 0 | 0 | 0 | 114.2 | D394 N398 | D394-P396 WeakPolarHBondContact O-CD 3.37Å; P396-N398 PolarHBondContact O-N 3.46Å | ||
| 397 | Y | 82.9 | Confident | 80.5 | Confident | 84 Ų | 84 | 86.3 Ų | 86.3 | 33% | 0.329 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 78.3 | -179 | -51.6 | -67.1 | 0 | 0 | 0 | 111.1 | K395 Y408 P411 | K395-Y397 PolarHBondContact O-N 3.44Å; Y397-Y408 WeakPolarHBondContact CB-O 3.28Å; Y397-Y408 WeakPolarHBondContact CD2-O 3.38Å; Y397-Y408 PolarHBondContact N-O 3.33Å; Y397-Y408 VanDerWaalsContact N-O 3.1Å; Y397-Y408 PolarHBondContact O-N 3.44Å; Y397-P411 HydrophobicContact CD1-CB 4.5Å; Y397-P411 HydrophobicContact CD1-CG 4.03Å; Y397-P411 HydrophobicContact CD2-CG 4.18Å; Y397-P411 HydrophobicContact CE1-CG 3.68Å; Y397-P411 VanDerWaalsContact CE2-CD 3.47Å; Y397-P411 HydrophobicContact CE2-CG 3.82Å; Y397-P411 HydrophobicContact CG-CG 4.26Å |
| 398 | N | 84.9 | Confident | 80.4 | Confident | 97 Ų | 97 | 88.1 Ų | 88.1 | 52% | 0.519 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 144.5 | 175.1 | -62.9 | -39.7 | 0 | 0 | 0 | 112 | K395 P396 S407 L414 | K395-N398 PolarHBondContact O-OD1 2.9Å; P396-N398 PolarHBondContact O-N 3.46Å; N398-S407 WeakPolarHBondContact OD1-CB 3.42Å; N398-L414 WeakPolarHBondContact O-CD2 2.99Å |
| 399 | C | 88.6 | Confident | 80.3 | Confident | 16 Ų | 16 | 88 Ų | 88 | 11% | 0.108 | 46% | 0.464 | C | S | . | . | trans | -66.9 | 141.4 | 163.3 | -169.1 | 0 | 0 | 0 | 0 | 110.2 | C404 K406 L414 | C399-C404 WeakPolarHBondContact CB-O 3.42Å; C399-K406 WeakPolarHBondContact CB-O 3.43Å; C399-K406 PolarHBondContact N-O 3.25Å; C399-L414 HydrophobicContact CB-CD1 4.11Å | ||
| 400 | K | 84.1 | Confident | 80.2 | Confident | 170 Ų | 170 | 87.2 Ų | 87.2 | 74% | 0.739 | 46% | 0.461 | S | S | * | . | trans | -100.9 | 3.2 | 177.6 | -66.6 | -170.8 | 177.4 | -174.7 | 0 | 113.4 | S481 | K400-S481 PolarHBondContact NZ-OG 3.46Š| ||
| 401 | V | 85.4 | Confident | 80.2 | Confident | 50 Ų | 50 | 85.1 Ų | 85.1 | 30% | 0.303 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -80.1 | 129.8 | 179.4 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | G403 C404 M418 H421 | V401-G403 PolarHBondContact O-N 3.3Å; V401-C404 HydrophobicContact CB-CB 4.38Å; V401-C404 PolarHBondContact O-N 3.05Å; V401-M418 HydrophobicContact CG2-CE 3.74Å; V401-M418 HydrophobicContact CG2-SD 4.23Å; V401-H421 HydrophobicContact CG2-CB 4.16Å |
| 402 | R | 78.7 | Confident | 80.4 | Confident | 243 Ų | 243 | 84.8 Ų | 84.8 | 92% | 0.917 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 135.2 | 178.4 | -63.1 | -65 | -177.3 | 108.6 | -2.3 | 110.1 | ||
| 403 | G | 78.4 | Confident | 81 | Confident | 79 Ų | 79 | 83.9 Ų | 83.9 | 81% | 0.814 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 24.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V401 | V401-G403 PolarHBondContact O-N 3.3Š|
| 404 | C | 84.9 | Confident | 82 | Confident | 7 Ų | 7 | 80.4 Ų | 80.4 | 5% | 0.047 | 42% | 0.422 | C | S | . | . | trans | -143.3 | 83.5 | 178.2 | -166.6 | 0 | 0 | 0 | 0 | 113.4 | C399 V401 K406 H417 H421 | C399-C404 WeakPolarHBondContact CB-O 3.42Å; V401-C404 HydrophobicContact CB-CB 4.38Å; V401-C404 PolarHBondContact O-N 3.05Å; C404-K406 PolarHBondContact O-N 3.45Å; C404-H417 PolarHBondContact SG-CE1 3.41Å; C404-H417 PolarHBondContact SG-NE2 3.21Å; C404-H421 WeakPolarHBondContact CB-NE2 3.32Å; C404-H421 PolarHBondContact SG-NE2 2.79Å | ||
| 405 | D | 82.7 | Confident | 82.7 | Confident | 156 Ų | 156 | 80.5 Ų | 80.5 | 83% | 0.834 | 41% | 0.414 | S | S | * | . | trans | -78.9 | 31.1 | -174.5 | -45.1 | -75.3 | 0 | 0 | 0 | 113.7 | S407 | D405-S407 PolarHBondContact O-N 3.38Š| ||
| 406 | K | 83.2 | Confident | 83.2 | Confident | 120 Ų | 120 | 82.7 Ų | 82.7 | 52% | 0.522 | 42% | 0.423 | S | S | . | . | trans | -84.4 | 111.6 | -174.2 | -69.1 | 179.2 | -176.8 | 167.2 | 0 | 110.9 | C399 C404 Y408 | C399-K406 WeakPolarHBondContact CB-O 3.43Å; C399-K406 PolarHBondContact N-O 3.25Å; C404-K406 PolarHBondContact O-N 3.45Å; K406-Y408 HydrophobicContact CB-CE2 3.91Å; K406-Y408 WeakPolarHBondContact O-CE2 3.46Å | ||
| 407 | S | 83.9 | Confident | 83.6 | Confident | 42 Ų | 42 | 79.4 Ų | 79.4 | 29% | 0.294 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 146.3 | 180 | 62.2 | 0 | 0 | 0 | 0 | 112.6 | K395 N398 D405 | K395-S407 VanDerWaalsContact CD-OG 3.25Å; K395-S407 WeakPolarHBondContact CD-OG 3.41Å; N398-S407 WeakPolarHBondContact OD1-CB 3.42Å; D405-S407 PolarHBondContact O-N 3.38Å |
| 408 | Y | 82.1 | Confident | 83.7 | Confident | 56 Ų | 56 | 78.1 Ų | 78.1 | 22% | 0.22 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 146.9 | -173.9 | -62.4 | -84 | 0 | 0 | 0 | 112.6 | K395 Y397 K406 H410 L414 H417 | K395-Y408 CarbonylContact C-O 3.58Å; K395-Y408 VanDerWaalsContact C-O 3.24Å; K395-Y408 WeakPolarHBondContact CA-O 3.35Å; Y397-Y408 WeakPolarHBondContact CB-O 3.28Å; Y397-Y408 WeakPolarHBondContact CD2-O 3.38Å; Y397-Y408 PolarHBondContact N-O 3.33Å; Y397-Y408 VanDerWaalsContact N-O 3.1Å; Y397-Y408 PolarHBondContact O-N 3.44Å; K406-Y408 HydrophobicContact CB-CE2 3.91Å; K406-Y408 WeakPolarHBondContact O-CE2 3.46Å; Y408-H410 VanDerWaalsContact C-N 3.32Å; Y408-L414 HydrophobicContact CD2-CB 3.92Å; Y408-L414 HydrophobicContact CD2-CD1 4.1Å; Y408-L414 HydrophobicContact CE2-CD1 4.31Å; Y408-L414 HydrophobicContact CG-CB 4.33Å; Y408-H417 HydrophobicContact CE1-CB 4.42Å; Y408-H417 HydrophobicContact CE2-CB 3.85Å; Y408-H417 AromaticContact CE2-CD2 3.42Å; Y408-H417 VanDerWaalsContact CE2-CD2 3.42Å; Y408-H417 WeakPolarHBondContact CE2-CD2 3.38Å; Y408-H417 AromaticContact CE2-CG 3.8Å; Y408-H417 AromaticContact CZ-CD2 3.8Å; Y408-H417 AromaticContact CZ-CG 3.72Å; Y408-H417 WeakPolarHBondContact OH-CB 3.4Å; Y408-H417 PolarHBondContact OH-CD2 3.32Å |
| 409 | T | 80.7 | Confident | 83.7 | Confident | 41 Ų | 41 | 80.5 Ų | 80.5 | 25% | 0.252 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -80.8 | -7.8 | 175.3 | 64.8 | 0 | 0 | 0 | 0 | 113.8 | H389 D394 K395 | H389-T409 WeakPolarHBondContact O-CB 3.42Å; H389-T409 WeakPolarHBondContact O-CG2 3.34Å; H389-T409 PolarHBondContact O-OG1 3.34Å; D394-T409 WeakPolarHBondContact O-CG2 3.34Å; K395-T409 HydrophobicContact CG-CG2 3.72Å |
| 410 | H | 79.8 | Confident | 83.6 | Confident | 54 Ų | 54 | 83.6 Ų | 83.6 | 25% | 0.25 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -148.5 | 140.7 | -178.4 | -170.2 | -99.4 | 0 | 0 | 0 | 113.6 | Y408 S412 S413 L414 | Y408-H410 VanDerWaalsContact C-N 3.32Å; H410-S412 VanDerWaalsContact C-N 3.31Å; H410-S412 PolarHBondContact CE1-OG 3Å; H410-S412 VanDerWaalsContact CE1-OG 3.25Å; H410-S412 PolarHBondContact ND1-N 2.88Å; H410-S412 PolarHBondContact ND1-OG 2.94Å; H410-S412 PolarHBondContact O-N 3.15Å; H410-S413 WeakPolarHBondContact O-CB 2.94Å; H410-S413 PolarHBondContact O-N 3.43Å; H410-L414 PolarHBondContact O-N 3.33Å |
| 411 | P | 80.9 | Confident | 83.4 | Confident | 44 Ų | 44 | 78.3 Ų | 78.3 | 29% | 0.286 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.5 | -30.5 | -172.8 | -21.8 | 31.9 | 0 | 0 | 0 | 114.5 | Y397 S413 L414 R415 | Y397-P411 HydrophobicContact CD1-CB 4.5Å; Y397-P411 HydrophobicContact CD1-CG 4.03Å; Y397-P411 HydrophobicContact CD2-CG 4.18Å; Y397-P411 HydrophobicContact CE1-CG 3.68Å; Y397-P411 VanDerWaalsContact CE2-CD 3.47Å; Y397-P411 HydrophobicContact CE2-CG 3.82Å; Y397-P411 HydrophobicContact CG-CG 4.26Å; P411-S413 VanDerWaalsContact C-N 3.25Å; P411-S413 PolarHBondContact O-N 3.09Å; P411-L414 PolarHBondContact O-N 2.67Å; P411-R415 WeakPolarHBondContact O-CB 3.42Å; P411-R415 PolarHBondContact O-N 3.41Å |
| 412 | S | 83.2 | Confident | 82.7 | Confident | 44 Ų | 44 | 79.4 Ų | 79.4 | 31% | 0.308 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -71.2 | -21.8 | 178.5 | 70.6 | 0 | 0 | 0 | 0 | 113.1 | H410 K416 | H410-S412 VanDerWaalsContact C-N 3.31Å; H410-S412 PolarHBondContact CE1-OG 3Å; H410-S412 VanDerWaalsContact CE1-OG 3.25Å; H410-S412 PolarHBondContact ND1-N 2.88Å; H410-S412 PolarHBondContact ND1-OG 2.94Å; H410-S412 PolarHBondContact O-N 3.15Å; S412-K416 WeakPolarHBondContact O-CG 3.44Å; S412-K416 PolarHBondContact O-N 2.7Å; S412-K416 VanDerWaalsContact O-N 3.11Å |
| 413 | S | 85.4 | Confident | 82 | Confident | 44 Ų | 44 | 76.4 Ų | 76.4 | 31% | 0.308 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -75.3 | -46 | 173.8 | -57.3 | 0 | 0 | 0 | 0 | 110.3 | H410 P411 R415 K416 H417 | H410-S413 WeakPolarHBondContact O-CB 2.94Å; H410-S413 PolarHBondContact O-N 3.43Å; P411-S413 VanDerWaalsContact C-N 3.25Å; P411-S413 PolarHBondContact O-N 3.09Å; S413-R415 PolarHBondContact O-N 2.9Å; S413-K416 WeakPolarHBondContact O-CB 3.34Å; S413-K416 PolarHBondContact O-N 3.48Å; S413-H417 PolarHBondContact O-N 3.49Å |
| 414 | L | 87.3 | Confident | 80.3 | Confident | 32 Ų | 32 | 75.7 Ų | 75.7 | 17% | 0.168 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.7 | -47.8 | 169.9 | 174.6 | 58.2 | 0 | 0 | 0 | 111.2 | N398 C399 Y408 H410 P411 K416 H417 M418 | N398-L414 WeakPolarHBondContact O-CD2 2.99Å; C399-L414 HydrophobicContact CB-CD1 4.11Å; Y408-L414 HydrophobicContact CD2-CB 3.92Å; Y408-L414 HydrophobicContact CD2-CD1 4.1Å; Y408-L414 HydrophobicContact CE2-CD1 4.31Å; Y408-L414 HydrophobicContact CG-CB 4.33Å; H410-L414 PolarHBondContact O-N 3.33Å; P411-L414 PolarHBondContact O-N 2.67Å; L414-K416 VanDerWaalsContact C-N 3.28Å; L414-K416 PolarHBondContact O-N 2.71Å; L414-H417 CarbonylContact O-C 3.55Å; L414-H417 WeakPolarHBondContact O-CA 3.09Å; L414-H417 WeakPolarHBondContact O-CB 3.49Å; L414-H417 PolarHBondContact O-N 3.04Å; L414-M418 HydrophobicContact CD1-CG 4.14Å; L414-M418 HydrophobicContact CD1-SD 4.19Å; L414-M418 HydrophobicContact CG-CG 4.44Å; L414-M418 WeakPolarHBondContact O-CG 3.18Å; L414-M418 PolarHBondContact O-N 2.98Å |
| 415 | R | 86.6 | Confident | 78.1 | Confident | 116 Ų | 116 | 80.5 Ų | 80.5 | 44% | 0.438 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.6 | -34.3 | 177 | -172.5 | -174.1 | -67 | 139.8 | -1.1 | 113.4 | P411 S413 Y484 | P411-R415 WeakPolarHBondContact O-CB 3.42Å; P411-R415 PolarHBondContact O-N 3.41Å; S413-R415 PolarHBondContact O-N 2.9Å; R415-Y484 VanDerWaalsContact CZ-OH 3.25Å; R415-Y484 PolarHBondContact NE-OH 3.42Å; R415-Y484 PolarHBondContact NH2-OH 3.22Å |
| 416 | K | 85.3 | Confident | 76.2 | Confident | 158 Ų | 158 | 78.5 Ų | 78.5 | 69% | 0.687 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -68 | -43.9 | 171.9 | -77.2 | 174 | 178.4 | -174.1 | 0 | 111 | S412 S413 L414 K419 | S412-K416 WeakPolarHBondContact O-CG 3.44Å; S412-K416 PolarHBondContact O-N 2.7Å; S412-K416 VanDerWaalsContact O-N 3.11Å; S413-K416 WeakPolarHBondContact O-CB 3.34Å; S413-K416 PolarHBondContact O-N 3.48Å; L414-K416 VanDerWaalsContact C-N 3.28Å; L414-K416 PolarHBondContact O-N 2.71Å; K416-K419 WeakPolarHBondContact O-CB 3.41Å; K416-K419 PolarHBondContact O-N 2.71Å |
| 417 | H | 86.6 | Confident | 74.2 | Confident | 15 Ų | 15 | 78.7 Ų | 78.7 | 7% | 0.069 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 178.5 | 168.4 | 45.9 | 0 | 0 | 0 | 113.2 | C404 Y408 S413 L414 K419 V420 H421 | C404-H417 PolarHBondContact SG-CE1 3.41Å; C404-H417 PolarHBondContact SG-NE2 3.21Å; Y408-H417 HydrophobicContact CE1-CB 4.42Å; Y408-H417 HydrophobicContact CE2-CB 3.85Å; Y408-H417 AromaticContact CE2-CD2 3.42Å; Y408-H417 VanDerWaalsContact CE2-CD2 3.42Å; Y408-H417 WeakPolarHBondContact CE2-CD2 3.38Å; Y408-H417 AromaticContact CE2-CG 3.8Å; Y408-H417 AromaticContact CZ-CD2 3.8Å; Y408-H417 AromaticContact CZ-CG 3.72Å; Y408-H417 WeakPolarHBondContact OH-CB 3.4Å; Y408-H417 PolarHBondContact OH-CD2 3.32Å; S413-H417 PolarHBondContact O-N 3.49Å; L414-H417 CarbonylContact O-C 3.55Å; L414-H417 WeakPolarHBondContact O-CA 3.09Å; L414-H417 WeakPolarHBondContact O-CB 3.49Å; L414-H417 PolarHBondContact O-N 3.04Å; H417-K419 PolarHBondContact O-N 3.26Å; H417-V420 VanDerWaalsContact O-CB 3.25Å; H417-V420 WeakPolarHBondContact O-CB 3.4Å; H417-V420 WeakPolarHBondContact O-CG2 3.41Å; H417-V420 PolarHBondContact O-N 3.46Å; H417-H421 AromaticContact CE1-CD2 3.76Å; H417-H421 AromaticContact NE2-CD2 3.8Å |
| 418 | M | 85.3 | Confident | 72.1 | Confident | 57 Ų | 57 | 82 Ų | 82 | 28% | 0.281 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -56.8 | -25.1 | 175 | -69.8 | -55.6 | -57.9 | 0 | 0 | 113.2 | V401 L414 V420 H421 C422 | V401-M418 HydrophobicContact CG2-CE 3.74Å; V401-M418 HydrophobicContact CG2-SD 4.23Å; L414-M418 HydrophobicContact CD1-CG 4.14Å; L414-M418 HydrophobicContact CD1-SD 4.19Å; L414-M418 HydrophobicContact CG-CG 4.44Å; L414-M418 WeakPolarHBondContact O-CG 3.18Å; L414-M418 PolarHBondContact O-N 2.98Å; M418-V420 PolarHBondContact O-N 2.97Å; M418-H421 PolarHBondContact O-N 2.95Å; M418-H421 VanDerWaalsContact O-N 3.13Å; M418-C422 PolarHBondContact O-N 3.43Å |
| 419 | K | 85.2 | Confident | 70.3 | Confident | 146 Ų | 146 | 85.3 Ų | 85.3 | 64% | 0.635 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -71.7 | -10.2 | 172.8 | -58.2 | -166.3 | 174.9 | -159.5 | 0 | 114.4 | K416 H417 K423 | K416-K419 WeakPolarHBondContact O-CB 3.41Å; K416-K419 PolarHBondContact O-N 2.71Å; H417-K419 PolarHBondContact O-N 3.26Å; K419-K423 WeakPolarHBondContact O-CB 3.22Å; K419-K423 WeakPolarHBondContact O-CD 3.46Å; K419-K423 WeakPolarHBondContact O-CG 3.27Å |
| 420 | V | 85.5 | Confident | 68.1 | Low | 82 Ų | 82 | 86.1 Ų | 86.1 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -76.2 | -41.1 | 167.3 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | H417 M418 K423 S424 | H417-V420 VanDerWaalsContact O-CB 3.25Å; H417-V420 WeakPolarHBondContact O-CB 3.4Å; H417-V420 WeakPolarHBondContact O-CG2 3.41Å; H417-V420 PolarHBondContact O-N 3.46Å; M418-V420 PolarHBondContact O-N 2.97Å; V420-K423 WeakPolarHBondContact O-CB 3.23Å; V420-K423 PolarHBondContact O-N 2.88Å; V420-K423 VanDerWaalsContact O-N 3.07Å; V420-S424 PolarHBondContact O-N 3.2Å |
| 421 | H | 80.4 | Confident | 66 | Low | 59 Ų | 59 | 92.8 Ų | 92.8 | 27% | 0.273 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.7 | -36.9 | -179.7 | -64.4 | -56.8 | 0 | 0 | 0 | 113.6 | V401 C404 H417 M418 K423 | V401-H421 HydrophobicContact CG2-CB 4.16Å; C404-H421 WeakPolarHBondContact CB-NE2 3.32Å; C404-H421 PolarHBondContact SG-NE2 2.79Å; H417-H421 AromaticContact CE1-CD2 3.76Å; H417-H421 AromaticContact NE2-CD2 3.8Å; M418-H421 PolarHBondContact O-N 2.95Å; M418-H421 VanDerWaalsContact O-N 3.13Å; H421-K423 PolarHBondContact O-N 3.01Å |
| 422 | C | 70.8 | Confident | 64.2 | Low | 73 Ų | 73 | 99.4 Ų | 99.4 | 49% | 0.493 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 25.9 | 166.9 | -60.4 | 0 | 0 | 0 | 0 | 113.2 | M418 C486 | M418-C422 PolarHBondContact O-N 3.43Å; C422-C486 HydrophobicContact CB-CB 4.14Å; C422-C486 WeakPolarHBondContact CB-SG 3Å; C422-C486 WeakPolarHBondContact SG-CB 3.43Å; C422-C486 CovalentContact SG-SG 2.06Å; C422-C486 PolarHBondContact SG-SG 3.05Å |
| 423 | K | 62.8 | Low | 61.7 | Low | 180 Ų | 180 | 100.9 Ų | 100.9 | 78% | 0.783 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.4 | -29.6 | 171.5 | -88 | -172.9 | 173.8 | -155.6 | 0 | 112.9 | K419 V420 H421 | K419-K423 WeakPolarHBondContact O-CB 3.22Å; K419-K423 WeakPolarHBondContact O-CD 3.46Å; K419-K423 WeakPolarHBondContact O-CG 3.27Å; V420-K423 WeakPolarHBondContact O-CB 3.23Å; V420-K423 PolarHBondContact O-N 2.88Å; V420-K423 VanDerWaalsContact O-N 3.07Å; H421-K423 PolarHBondContact O-N 3.01Å |
| 424 | S | 43.5 | Very low | 59.4 | Low | 63 Ų | 63 | 104 Ų | 104 | 44% | 0.441 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -66.9 | 145.3 | 155.9 | -57.4 | 0 | 0 | 0 | 0 | 109.4 | V420 | V420-S424 PolarHBondContact O-N 3.2Š|
| 425 | P | 38 | Very low | 56.8 | Low | 109 Ų | 109 | 108.4 Ų | 108.4 | 71% | 0.708 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 151.4 | 156.3 | 29.4 | -33.8 | 0 | 0 | 0 | 108.9 | ||
| 426 | P | 42.8 | Very low | 54.7 | Low | 113 Ų | 113 | 108.6 Ų | 108.6 | 73% | 0.734 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 143.1 | 170.7 | 27.8 | -34 | 0 | 0 | 0 | 109.5 | S428 | P426-S428 PolarHBondContact O-N 3.1Š|
| 427 | P | 42.8 | Very low | 52.1 | Low | 125 Ų | 125 | 106.8 Ų | 106.8 | 81% | 0.812 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 128.8 | 167.9 | 27.2 | -33.2 | 0 | 0 | 0 | 108.3 | S429 | P427-S429 PolarHBondContact O-N 3.03Š|
| 428 | S | 38.8 | Very low | 49.6 | Very low | 110 Ų | 110 | 114.4 Ų | 114.4 | 77% | 0.769 | 67% | 0.672 | S | S | * | * | trans | -66 | 106.8 | -174.1 | 51 | 0 | 0 | 0 | 0 | 111 | P426 G430 | P426-S428 PolarHBondContact O-N 3.1Å; S428-G430 PolarHBondContact O-N 2.92Å | ||
| 429 | S | 43.9 | Very low | 47 | Very low | 127 Ų | 127 | 118.5 Ų | 118.5 | 89% | 0.888 | 70% | 0.7 | S | S | * | * | trans | -73.7 | 119.1 | 163.1 | 54.7 | 0 | 0 | 0 | 0 | 109 | P427 | P427-S429 PolarHBondContact O-N 3.03Š| ||
| 430 | G | 35.3 | Very low | 44.5 | Very low | 58 Ų | 58 | 116.8 Ų | 116.8 | 60% | 0.598 | 71% | 0.707 | S | S | * | * | trans | 124.4 | 129.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | S428 | S428-G430 PolarHBondContact O-N 2.92Š| ||
| 431 | Y | 34.8 | Very low | 42.6 | Very low | 194 Ų | 194 | 118.1 Ų | 118.1 | 76% | 0.761 | 72% | 0.717 | S | S | * | * | cis | -144.2 | 152.7 | 19 | 59.6 | -73.6 | 0 | 0 | 0 | 110.6 | S433 | Y431-S433 VanDerWaalsContact CE2-CB 3.45Å; Y431-S433 PolarHBondContact O-N 3.03Å | ||
| 432 | E | 43.5 | Very low | 40.2 | Very low | 182 Ų | 182 | 120.5 Ų | 120.5 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | trans | -73.1 | 125.5 | 163.6 | -65.9 | -164.4 | 129.3 | 0 | 0 | 108.6 | ||||
| 433 | S | 30.8 | Very low | 38.5 | Very low | 76 Ų | 76 | 122.1 Ų | 122.1 | 53% | 0.531 | 75% | 0.752 | S | S | . | * | trans | -107 | 70.5 | -176.9 | -168.5 | 0 | 0 | 0 | 0 | 110.5 | Y431 T435 | Y431-S433 VanDerWaalsContact CE2-CB 3.45Å; Y431-S433 PolarHBondContact O-N 3.03Å; S433-T435 PolarHBondContact O-N 2.84Å | ||
| 434 | S | 37 | Very low | 37 | Very low | 110 Ų | 110 | 120 Ų | 120 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -60.7 | 106.2 | 180 | -57.9 | 0 | 0 | 0 | 0 | 112 | P436 | S434-P436 WeakPolarHBondContact O-CD 3.25Š| ||
| 435 | T | 32.4 | Very low | 36.6 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -101.9 | 105.5 | 170.9 | 53.3 | 0 | 0 | 0 | 0 | 110.1 | S433 | S433-T435 PolarHBondContact O-N 2.84Š| ||
| 436 | P | 43.2 | Very low | 36.2 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | trans | -79.2 | 137.8 | 176.6 | 31.9 | -33.4 | 0 | 0 | 0 | 111.3 | S434 | S434-P436 WeakPolarHBondContact O-CD 3.25Š| ||
| 437 | S | 30.4 | Very low | 35.6 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -151 | 135.9 | 163 | -78.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 438 | L | 34.1 | Very low | 35.1 | Very low | 175 Ų | 175 | 131.4 Ų | 131.4 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | trans | -112.5 | 123.4 | -167.9 | -64.3 | 166.1 | 0 | 0 | 0 | 110.7 | ||||
| 439 | V | 31.9 | Very low | 35.7 | Very low | 143 Ų | 143 | 131.7 Ų | 131.7 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | -172.7 | 140.4 | 149.4 | 54 | 0 | 0 | 0 | 0 | 111 | ||||
| 440 | S | 32.3 | Very low | 35.1 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -134.1 | -175.6 | 176 | -49.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 441 | P | 46.3 | Very low | 34.8 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | cis | -138.7 | -166.4 | 1.1 | 43.9 | -25.2 | 0 | 0 | 0 | 115.3 | ||||
| 442 | S | 29.8 | Very low | 34.3 | Very low | 109 Ų | 109 | 125.7 Ų | 125.7 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | 69.1 | 156.4 | 161 | -82.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 443 | S | 34.8 | Very low | 34.6 | Very low | 107 Ų | 107 | 122.7 Ų | 122.7 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | cis | -173.5 | 166.7 | -9.8 | -97.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 444 | D | 31.6 | Very low | 34.5 | Very low | 136 Ų | 136 | 124.4 Ų | 124.4 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | cis | -172.2 | 179.9 | -17.2 | -178.1 | 28.5 | 0 | 0 | 0 | 108.4 | ||||
| 445 | L | 34 | Very low | 34.2 | Very low | 156 Ų | 156 | 126 Ų | 126 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | 74 | 139.5 | 173.6 | -46.2 | 174.9 | 0 | 0 | 0 | 116.7 | ||||
| 446 | G | 30 | Very low | 34.1 | Very low | 75 Ų | 75 | 126.2 Ų | 126.2 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | cis | 120.6 | 99.6 | -11.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 447 | R | 30 | Very low | 33.5 | Very low | 249 Ų | 249 | 126.2 Ų | 126.2 | 94% | 0.94 | 80% | 0.803 | S | S | * | * | trans | -160.5 | 107.5 | 164 | -157.8 | 161.7 | -171.8 | 159.9 | 1.8 | 116.8 | ||||
| 448 | E | 32.9 | Very low | 33.5 | Very low | 168 Ų | 168 | 129.2 Ų | 129.2 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -101.1 | -167.7 | 152.5 | -84.6 | -73.1 | 131 | 0 | 0 | 108 | ||||
| 449 | P | 51.3 | Low | 34.9 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | cis | -120.1 | -148.7 | -10.1 | 30.4 | -5 | 0 | 0 | 0 | 110.1 | ||||
| 450 | A | 31.3 | Very low | 35.9 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | cis | -165.9 | 172 | 8.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 451 | G | 27.7 | Very low | 35.9 | Very low | 81 Ų | 81 | 125.7 Ų | 125.7 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | 136.5 | 113.6 | 146.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 452 | G | 26.2 | Very low | 35.1 | Very low | 76 Ų | 76 | 123.8 Ų | 123.8 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | -112.8 | -151 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 453 | P | 48.3 | Very low | 35.1 | Very low | 118 Ų | 118 | 123.1 Ų | 123.1 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | cis | -141.1 | -176.2 | 0.5 | 43.8 | -26.2 | 0 | 0 | 0 | 116.3 | ||||
| 454 | S | 29.8 | Very low | 34.9 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | 69.5 | 161.2 | 159.3 | -58 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 455 | V | 30.9 | Very low | 35.3 | Very low | 144 Ų | 144 | 125.9 Ų | 125.9 | 87% | 0.873 | 80% | 0.801 | S | S | * | * | cis | -141.1 | 171.2 | 33.6 | 172.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 456 | V | 30 | Very low | 35.5 | Very low | 127 Ų | 127 | 126.5 Ų | 126.5 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -99.7 | 149.2 | -168.3 | 175.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 457 | S | 29.9 | Very low | 35.9 | Very low | 120 Ų | 120 | 130 Ų | 130 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -176.7 | 152.6 | 140.8 | -80.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 458 | E | 31 | Very low | 36.6 | Very low | 184 Ų | 184 | 127.7 Ų | 127.7 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -117.8 | -145.1 | 179.9 | -64 | -167.3 | 92.3 | 0 | 0 | 114 | ||||
| 459 | P | 62 | Low | 37.2 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | -123.8 | -148 | -117.7 | 45.1 | -22.9 | 0 | 0 | 0 | 111.6 | |||||
| 460 | P | 53.6 | Low | 37 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | cis | -117.1 | -158.9 | 36.5 | 21 | 6 | 0 | 0 | 0 | 111.4 | ||||
| 461 | V | 32.4 | Very low | 37.6 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | cis | -149 | 165.2 | 13.2 | -153.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 462 | G | 29.6 | Very low | 38.4 | Very low | 70 Ų | 70 | 138 Ų | 138 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | -85.3 | -177.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 463 | A | 29.6 | Very low | 39 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | cis | -149.2 | -160.9 | 4.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 464 | S | 31.6 | Very low | 38.6 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | cis | -155.3 | -176.7 | 24 | -67.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 465 | Q | 38.3 | Very low | 38.9 | Very low | 184 Ų | 184 | 147.4 Ų | 147.4 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -91 | 144.2 | 178.4 | -57.5 | 162.8 | -5.2 | 0 | 0 | 112.7 | ||||
| 466 | Q | 38.9 | Very low | 39.1 | Very low | 168 Ų | 168 | 149 Ų | 149 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | -177.9 | 123.8 | 114.2 | -104.8 | -173.8 | -52.3 | 0 | 0 | 115.1 | |||||
| 467 | Q | 38.7 | Very low | 39.3 | Very low | 149 Ų | 149 | 148.5 Ų | 148.5 | 70% | 0.696 | 79% | 0.793 | S | S | * | * | 39 | 103.2 | 126.6 | -169.1 | 174.4 | 1.8 | 0 | 0 | 119.3 | |||||
| 468 | Q | 44.2 | Very low | 39.4 | Very low | 201 Ų | 201 | 146.5 Ų | 146.5 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | trans | -115.3 | 121.8 | 159.3 | -166 | 172 | 71.8 | 0 | 0 | 110.1 | ||||
| 469 | Q | 46.8 | Very low | 39.5 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | -128.2 | 104.7 | -174.7 | -176.3 | -178 | 50.6 | 0 | 0 | 110.3 | ||||
| 470 | Q | 46.9 | Very low | 38.3 | Very low | 189 Ų | 189 | 141.1 Ų | 141.1 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | trans | -136.6 | 111.4 | 164 | -78.5 | -168.1 | 0.2 | 0 | 0 | 109.9 | ||||
| 471 | Q | 43.7 | Very low | 37.5 | Very low | 170 Ų | 170 | 139 Ų | 139 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | trans | -81 | 115.3 | 171.7 | -69.6 | 179.1 | -10.5 | 0 | 0 | 109.3 | Q473 | Q471-Q473 PolarHBondContact O-N 3.19Š| ||
| 472 | Q | 43.7 | Very low | 37.6 | Very low | 169 Ų | 169 | 139.7 Ų | 139.7 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | trans | -74.1 | 109.6 | 160.5 | -77.5 | -167.2 | 2.7 | 0 | 0 | 109.2 | Q474 | Q472-Q474 VanDerWaalsContact C-N 3.26Å; Q472-Q474 PolarHBondContact O-N 3.03Å | ||
| 473 | Q | 38.6 | Very low | 37.6 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | trans | -76.9 | 74.3 | -178.6 | -166.4 | 174.8 | 87.8 | 0 | 0 | 110.9 | Q471 Q475 | Q471-Q473 PolarHBondContact O-N 3.19Å; Q473-Q475 PolarHBondContact O-N 3.22Å | ||
| 474 | Q | 39.7 | Very low | 38.2 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 77% | 0.771 | 71% | 0.71 | S | S | * | * | trans | -63.7 | 108 | 173.8 | -69.5 | -170.7 | 8 | 0 | 0 | 110 | Q472 Q476 | Q472-Q474 VanDerWaalsContact C-N 3.26Å; Q472-Q474 PolarHBondContact O-N 3.03Å; Q474-Q476 PolarHBondContact O-N 3.5Å | ||
| 475 | Q | 37.8 | Very low | 38.6 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 82% | 0.822 | 70% | 0.703 | S | S | * | * | trans | -68 | 99.2 | 177.8 | -64.9 | 178.6 | 9.8 | 0 | 0 | 109.6 | Q473 | Q473-Q475 PolarHBondContact O-N 3.22Š| ||
| 476 | Q | 33.6 | Very low | 38.5 | Very low | 178 Ų | 178 | 138 Ų | 138 | 83% | 0.832 | 69% | 0.686 | S | S | * | * | trans | -58.9 | 131.2 | 173.2 | -63.9 | -172.3 | 11.8 | 0 | 0 | 109.6 | Q474 A478 | Q474-Q476 PolarHBondContact O-N 3.5Å; Q476-A478 PolarHBondContact O-N 3.2Å | ||
| 477 | P | 34.1 | Very low | 38.2 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 75% | 0.753 | 69% | 0.685 | S | S | * | * | trans | -62.9 | 114.9 | 168.5 | 26.4 | -32 | 0 | 0 | 0 | 108.1 | ||||
| 478 | A | 32.4 | Very low | 37.8 | Very low | 78 Ų | 78 | 136.5 Ų | 136.5 | 65% | 0.645 | 69% | 0.692 | S | S | * | * | trans | -45.5 | 144.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q476 L480 | Q476-A478 PolarHBondContact O-N 3.2Å; A478-L480 WeakPolarHBondContact O-CD2 3.13Å; A478-L480 WeakPolarHBondContact O-CG 3.02Å; A478-L480 PolarHBondContact O-N 3.47Å | ||
| 479 | N | 33.8 | Very low | 37.1 | Very low | 85 Ų | 85 | 133.1 Ų | 133.1 | 46% | 0.455 | 69% | 0.691 | S | S | . | * | trans | -47.1 | 102.1 | -168 | -171.1 | 3.6 | 0 | 0 | 0 | 113.9 | S481 W483 | N479-S481 VanDerWaalsContact C-N 3.32Å; N479-S481 WeakPolarHBondContact OD1-CB 3.27Å; N479-S481 PolarHBondContact OD1-N 3.39Å; N479-S481 PolarHBondContact OD1-OG 3.43Å; N479-W483 PolarHBondContact O-NE1 3.42Å | ||
| 480 | L | 36.2 | Very low | 36.2 | Very low | 92 Ų | 92 | 129.5 Ų | 129.5 | 48% | 0.482 | 69% | 0.694 | S | S | . | * | trans | -92.7 | 14.3 | 176.1 | -45.5 | -174.1 | 0 | 0 | 0 | 112.9 | A478 W483 | A478-L480 WeakPolarHBondContact O-CD2 3.13Å; A478-L480 WeakPolarHBondContact O-CG 3.02Å; A478-L480 PolarHBondContact O-N 3.47Å; L480-W483 VanDerWaalsContact CA-CZ2 3.47Å; L480-W483 HydrophobicContact CB-CH2 3.68Å; L480-W483 HydrophobicContact CB-CZ2 3.74Å; L480-W483 HydrophobicContact CB-CZ3 4.36Å; L480-W483 HydrophobicContact CD1-CH2 4.46Å; L480-W483 HydrophobicContact CD2-CH2 3.6Å; L480-W483 HydrophobicContact CD2-CZ2 3.44Å; L480-W483 VanDerWaalsContact CD2-CZ2 3.44Å; L480-W483 HydrophobicContact CG-CH2 4.08Å; L480-W483 HydrophobicContact CG-CZ2 4.14Å | ||
| 481 | S | 37.4 | Very low | 35.3 | Very low | 69 Ų | 69 | 125 Ų | 125 | 48% | 0.483 | 69% | 0.688 | S | S | . | * | trans | -90.9 | -27.9 | -167.9 | -41.6 | 0 | 0 | 0 | 0 | 113.8 | K400 N479 W483 | K400-S481 PolarHBondContact NZ-OG 3.46Å; N479-S481 VanDerWaalsContact C-N 3.32Å; N479-S481 WeakPolarHBondContact OD1-CB 3.27Å; N479-S481 PolarHBondContact OD1-N 3.39Å; N479-S481 PolarHBondContact OD1-OG 3.43Å; S481-W483 VanDerWaalsContact C-N 3.31Å; S481-W483 PolarHBondContact O-N 3.42Å | ||
| 482 | E | 35 | Very low | 34.8 | Very low | 149 Ų | 149 | 123.1 Ų | 123.1 | 70% | 0.696 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -4.7 | -164.8 | -65.9 | 172.6 | 146.1 | 0 | 0 | 114.9 | ||
| 483 | W | 28.7 | Very low | 33.9 | Very low | 124 Ų | 124 | 118.5 Ų | 118.5 | 47% | 0.47 | 69% | 0.692 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -126.7 | 27 | -166.5 | 27.8 | -91.5 | 0 | 0 | 0 | 115 | N479 L480 S481 | N479-W483 PolarHBondContact O-NE1 3.42Å; L480-W483 VanDerWaalsContact CA-CZ2 3.47Å; L480-W483 HydrophobicContact CB-CH2 3.68Å; L480-W483 HydrophobicContact CB-CZ2 3.74Å; L480-W483 HydrophobicContact CB-CZ3 4.36Å; L480-W483 HydrophobicContact CD1-CH2 4.46Å; L480-W483 HydrophobicContact CD2-CH2 3.6Å; L480-W483 HydrophobicContact CD2-CZ2 3.44Å; L480-W483 VanDerWaalsContact CD2-CZ2 3.44Å; L480-W483 HydrophobicContact CG-CH2 4.08Å; L480-W483 HydrophobicContact CG-CZ2 4.14Å; S481-W483 VanDerWaalsContact C-N 3.31Å; S481-W483 PolarHBondContact O-N 3.42Å |
| 484 | Y | 41.9 | Very low | 33.7 | Very low | 124 Ų | 124 | 114.7 Ų | 114.7 | 49% | 0.486 | 70% | 0.696 | S | S | . | * | trans | -134.1 | 52.1 | 165.6 | -67.3 | -54.8 | 0 | 0 | 0 | 113.8 | R415 | R415-Y484 VanDerWaalsContact CZ-OH 3.25Å; R415-Y484 PolarHBondContact NE-OH 3.42Å; R415-Y484 PolarHBondContact NH2-OH 3.22Å | ||
| 485 | V | 41 | Very low | 33.2 | Very low | 108 Ų | 108 | 116.1 Ų | 116.1 | 66% | 0.655 | 70% | 0.702 | S | S | * | * | trans | -75.5 | 125.2 | 155.5 | -179.2 | 0 | 0 | 0 | 0 | 108 | H487 | V485-H487 PolarHBondContact O-N 3.04Å; V485-H487 VanDerWaalsContact O-N 3.09Å | ||
| 486 | C | 34.9 | Very low | 32.8 | Very low | 75 Ų | 75 | 114 Ų | 114 | 51% | 0.507 | 70% | 0.701 | S | S | . | * | trans | -77.3 | 91.2 | 171.3 | -79.3 | 0 | 0 | 0 | 0 | 108.7 | C422 S488 | C422-C486 HydrophobicContact CB-CB 4.14Å; C422-C486 WeakPolarHBondContact CB-SG 3Å; C422-C486 WeakPolarHBondContact SG-CB 3.43Å; C422-C486 CovalentContact SG-SG 2.06Å; C422-C486 PolarHBondContact SG-SG 3.05Å; C486-S488 PolarHBondContact O-N 2.98Å; C486-S488 VanDerWaalsContact O-N 3.14Å | ||
| 487 | H | 33.3 | Very low | 32.9 | Very low | 167 Ų | 167 | 110.9 Ų | 110.9 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | trans | -65.1 | 108.7 | 175.4 | -79.6 | -108.1 | 0 | 0 | 0 | 110.7 | V485 S489 | V485-H487 PolarHBondContact O-N 3.04Å; V485-H487 VanDerWaalsContact O-N 3.09Å; H487-S489 PolarHBondContact O-N 3.05Å | ||
| 488 | S | 29.6 | Very low | 32.9 | Very low | 119 Ų | 119 | 111.6 Ų | 111.6 | 83% | 0.832 | 70% | 0.701 | S | S | * | * | trans | -82.2 | 105.1 | 174.1 | -60.3 | 0 | 0 | 0 | 0 | 110.5 | C486 G490 | C486-S488 PolarHBondContact O-N 2.98Å; C486-S488 VanDerWaalsContact O-N 3.14Å; S488-G490 PolarHBondContact O-N 2.88Å | ||
| 489 | S | 31 | Very low | 32.7 | Very low | 131 Ų | 131 | 113.4 Ų | 113.4 | 92% | 0.916 | 71% | 0.71 | S | S | * | * | trans | -73.2 | 92.9 | 172.6 | -58.5 | 0 | 0 | 0 | 0 | 111 | H487 | H487-S489 PolarHBondContact O-N 3.05Š| ||
| 490 | G | 26.9 | Very low | 32.5 | Very low | 74 Ų | 74 | 113.2 Ų | 113.2 | 76% | 0.763 | 73% | 0.727 | S | S | * | * | trans | -113.9 | 145.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | S488 | S488-G490 PolarHBondContact O-N 2.88Š| ||
| 491 | A | 28.1 | Very low | 32.3 | Very low | 94 Ų | 94 | 117.2 Ų | 117.2 | 78% | 0.777 | 74% | 0.743 | S | S | * | * | trans | -109.9 | 158.7 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 492 | S | 32.4 | Very low | 31.9 | Very low | 131 Ų | 131 | 119.7 Ų | 119.7 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | trans | 71.4 | 153.9 | 170.1 | 76.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 493 | G | 26.2 | Very low | 31.8 | Very low | 72 Ų | 72 | 118.8 Ų | 118.8 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | 122.7 | 63.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 494 | G | 33.2 | Very low | 32.4 | Very low | 81 Ų | 81 | 118.6 Ų | 118.6 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -75.6 | 138.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 495 | Q | 29.4 | Very low | 31.8 | Very low | 195 Ų | 195 | 119.9 Ų | 119.9 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | trans | -135.2 | 134.9 | 171 | -70.2 | -171.4 | 65.7 | 0 | 0 | 110.3 | ||||
| 496 | T | 29.5 | Very low | 32.3 | Very low | 131 Ų | 131 | 119.2 Ų | 119.2 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 143.5 | 176.5 | 44.9 | 0 | 0 | 0 | 0 | 111.3 | ||
| 497 | P | 35 | Very low | 32 | Very low | 113 Ų | 113 | 120.9 Ų | 120.9 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 147.9 | 166 | 31.4 | -34.2 | 0 | 0 | 0 | 110.5 | ||
| 498 | P | 34.2 | Very low | 31.9 | Very low | 131 Ų | 131 | 122.1 Ų | 122.1 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 143.8 | -179.6 | 31.1 | -34.9 | 0 | 0 | 0 | 112.3 | ||
| 499 | S | 29.5 | Very low | 32 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 137.7 | 173.3 | -50.2 | 0 | 0 | 0 | 0 | 111.5 | ||
| 500 | G | 29.1 | Very low | 32.5 | Very low | 80 Ų | 80 | 123.4 Ų | 123.4 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -132.4 | 114.6 | 168 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 501 | H | 32.2 | Very low | 32.6 | Very low | 176 Ų | 176 | 123.2 Ų | 123.2 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | trans | -84.7 | 140.6 | 178.7 | -89.5 | -116.5 | 0 | 0 | 0 | 111.9 | ||||
| 502 | S | 28 | Very low | 32.6 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -167.6 | 132.6 | 132.9 | -79.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 503 | T | 34 | Very low | 32.5 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | -123.9 | 152.1 | 169 | 36 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 504 | P | 41.1 | Very low | 32.8 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | -151.4 | 142.6 | 67.5 | 38.3 | -17.4 | 0 | 0 | 0 | 119 | |||||
| 505 | D | 29.1 | Very low | 33 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | 56.4 | 179.5 | 126.9 | -132.5 | 29.6 | 0 | 0 | 0 | 119.7 | |||||
| 506 | P | 51.8 | Low | 33.3 | Very low | 94 Ų | 94 | 137.1 Ų | 137.1 | 61% | 0.61 | 78% | 0.781 | S | S | * | * | -125 | 172.5 | -105 | 40 | -24.1 | 0 | 0 | 0 | 114.7 | |||||
| 507 | S | 28.8 | Very low | 34 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | 169.1 | 166.5 | 131.3 | -74.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 508 | E | 30.3 | Very low | 33.9 | Very low | 192 Ų | 192 | 142 Ų | 142 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | 72.8 | 112.7 | 160.7 | -48.1 | -154.4 | 107.9 | 0 | 0 | 120.5 | ||||
| 509 | E | 31.8 | Very low | 34.2 | Very low | 171 Ų | 171 | 143.3 Ų | 143.3 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | -73.6 | 174.8 | 150.1 | -119.3 | -140.5 | 110.7 | 0 | 0 | 109.8 | ||||
| 510 | P | 42.4 | Very low | 34.5 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | cis | -147.1 | -175.6 | 27.2 | 43.5 | -22.9 | 0 | 0 | 0 | 118.6 | ||||
| 511 | A | 29.1 | Very low | 35 | Very low | 69 Ų | 69 | 151.3 Ų | 151.3 | 57% | 0.57 | 80% | 0.797 | S | S | * | * | trans | 83.5 | 122.2 | 138 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 512 | Y | 27.5 | Very low | 35.1 | Very low | 224 Ų | 224 | 150.1 Ų | 150.1 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | trans | 44.5 | 113.4 | 138.7 | -77 | -95 | 0 | 0 | 0 | 121.2 | ||||
| 513 | R | 29.7 | Very low | 35.5 | Very low | 235 Ų | 235 | 151.5 Ų | 151.5 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | -171.2 | 146.3 | 89.6 | -123.8 | 176.6 | 177.5 | 159.9 | -0.4 | 114.5 | |||||
| 514 | N | 32.5 | Very low | 35.6 | Very low | 125 Ų | 125 | 152.7 Ų | 152.7 | 67% | 0.668 | 79% | 0.792 | S | S | * | * | trans | -87.4 | 145.7 | 159.3 | -174.1 | 5.1 | 0 | 0 | 0 | 108.7 | Q516 | N514-Q516 PolarHBondContact OD1-N 3.25Š| ||
| 515 | P | 37.8 | Very low | 35.3 | Very low | 119 Ų | 119 | 154.7 Ų | 154.7 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | -140.3 | 148 | 116.1 | 36.8 | -24.3 | 0 | 0 | 0 | 115.8 | |||||
| 516 | Q | 35.9 | Very low | 35.6 | Very low | 163 Ų | 163 | 154.9 Ų | 154.9 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -77.5 | 173.3 | 168.7 | -93.8 | -81.3 | -64.7 | 0 | 0 | 111.6 | N514 | N514-Q516 PolarHBondContact OD1-N 3.25Š| ||
| 517 | P | 43.7 | Very low | 34.6 | Very low | 103 Ų | 103 | 159 Ų | 159 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | trans | -84.5 | -178.4 | -148.9 | 35.6 | -39.8 | 0 | 0 | 0 | 115.5 | ||||
| 518 | R | 34.3 | Very low | 35 | Very low | 243 Ų | 243 | 162.4 Ų | 162.4 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | trans | -131.6 | 137.1 | 165.5 | -82.9 | -172.6 | 160.1 | -155 | -6.7 | 111.6 | ||||
| 519 | D | 39.3 | Very low | 35.3 | Very low | 158 Ų | 158 | 160.2 Ų | 160.2 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -79.3 | -176.6 | 166.3 | -57.6 | -83.6 | 0 | 0 | 0 | 112.6 | ||||
| 520 | A | 36.3 | Very low | 35.6 | Very low | 86 Ų | 86 | 159.3 Ų | 159.3 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | 76.4 | 137.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 521 | F | 39.2 | Very low | 35 | Very low | 279 Ų | 279 | 164 Ų | 164 | 100% | 1.224 | 81% | 0.809 | S | S | * | * | cis | -125.5 | 0 | 12.3 | -104.2 | -86.8 | 0 | 0 | 0 | 113.1 |
Retrieved 521 of 521 residues in 238.4 ms
(Link to these results)