| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.3 | Very low | 42.4 | Very low | 236 Ų | 236 | 157.2 Ų | 157.2 | 100% | 1.163 | 87% | 0.874 | S | S | * | * | 0 | 74.1 | 0 | -89.8 | -74.1 | -173 | 0 | 0 | 103.4 | |||||
| 2 | D | 35.5 | Very low | 42.2 | Very low | 146 Ų | 146 | 152.4 Ų | 152.4 | 78% | 0.781 | 87% | 0.87 | S | S | * | * | trans | -120.3 | 156 | -174.2 | -60.1 | -76 | 0 | 0 | 0 | 105.3 | ||||
| 3 | I | 45.1 | Very low | 42.6 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 84% | 0.841 | 86% | 0.863 | S | S | * | * | trans | 101.7 | 84.1 | -167 | -52 | 158.7 | 0 | 0 | 0 | 111.9 | ||||
| 4 | L | 50.3 | Low | 42.7 | Very low | 167 Ų | 167 | 150.7 Ų | 150.7 | 87% | 0.874 | 87% | 0.866 | S | S | * | * | -171.7 | 79.5 | 129.1 | -99.5 | 161 | 0 | 0 | 0 | 109.8 | |||||
| 5 | V | 44.7 | Very low | 42.7 | Very low | 148 Ų | 148 | 145.5 Ų | 145.5 | 90% | 0.897 | 86% | 0.858 | S | S | * | * | trans | -120.3 | 116.2 | 153.4 | 172.2 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 6 | A | 41.9 | Very low | 42.7 | Very low | 88 Ų | 88 | 143.8 Ų | 143.8 | 73% | 0.727 | 85% | 0.849 | S | S | * | * | trans | 155.1 | 86.4 | 156 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 7 | C | 43.2 | Very low | 42.5 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 89% | 0.892 | 85% | 0.847 | S | S | * | * | trans | -152.2 | 64.6 | 157.6 | -85.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 8 | Y | 41.2 | Very low | 42.4 | Very low | 247 Ų | 247 | 145.1 Ų | 145.1 | 97% | 0.969 | 84% | 0.841 | S | S | * | * | trans | -119.9 | 115.7 | 155.8 | -92.5 | -81.2 | 0 | 0 | 0 | 105.9 | ||||
| 9 | G | 40.2 | Very low | 42.3 | Very low | 66 Ų | 66 | 143.7 Ų | 143.7 | 68% | 0.68 | 84% | 0.84 | S | S | * | * | trans | -162.3 | 109.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 10 | N | 39.7 | Very low | 42.2 | Very low | 156 Ų | 156 | 140 Ų | 140 | 83% | 0.834 | 83% | 0.834 | S | S | * | * | trans | 66.3 | 107.9 | 146.3 | -61.3 | -3.9 | 0 | 0 | 0 | 119.9 | ||||
| 11 | D | 43.3 | Very low | 42.2 | Very low | 179 Ų | 179 | 138.3 Ų | 138.3 | 96% | 0.957 | 83% | 0.829 | S | S | * | * | trans | -130.4 | 116.6 | 135.7 | -81.9 | -51.8 | 0 | 0 | 0 | 107.8 | ||||
| 12 | A | 39.8 | Very low | 42.2 | Very low | 100 Ų | 100 | 135 Ų | 135 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -127.5 | 135.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 13 | S | 47.7 | Very low | 42.5 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -158.1 | 102.3 | 169.4 | 49.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 14 | D | 43.3 | Very low | 42.4 | Very low | 170 Ų | 170 | 129.4 Ų | 129.4 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | 47.3 | 137.2 | 132.8 | -62.9 | -37.7 | 0 | 0 | 0 | 125.7 | ||||
| 15 | G | 43.2 | Very low | 41.9 | Very low | 72 Ų | 72 | 127.3 Ų | 127.3 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | 152.6 | 77.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 16 | V | 43.1 | Very low | 42 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 72% | 0.715 | 79% | 0.794 | S | S | * | * | 86.6 | 110.2 | 82 | 169.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 17 | Q | 39.8 | Very low | 42.1 | Very low | 173 Ų | 173 | 129.3 Ų | 129.3 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | 66.3 | 146 | 138.8 | -73.5 | 174.5 | -11.7 | 0 | 0 | 121.8 | ||||
| 18 | D | 39.6 | Very low | 41.9 | Very low | 139 Ų | 139 | 127.7 Ų | 127.7 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | cis | -171.8 | 170 | -12.3 | -142.8 | -26.7 | 0 | 0 | 0 | 109.6 | ||||
| 19 | S | 40.7 | Very low | 42 | Very low | 118 Ų | 118 | 120.8 Ų | 120.8 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | 79.4 | 137.5 | 165.4 | 76.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 20 | G | 40.2 | Very low | 42 | Very low | 69 Ų | 69 | 125.3 Ų | 125.3 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | cis | 179.2 | 136.1 | -1.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 21 | S | 42.4 | Very low | 42.5 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | 61.7 | 129 | 141.6 | 70.8 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 22 | N | 42 | Very low | 42.7 | Very low | 166 Ų | 166 | 124.8 Ų | 124.8 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | trans | 106.1 | 124.2 | 131.2 | -72.7 | -16.6 | 0 | 0 | 0 | 120.7 | ||||
| 23 | G | 40.2 | Very low | 43.3 | Very low | 69 Ų | 69 | 125.8 Ų | 125.8 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | 144.9 | 54.9 | 145.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 24 | T | 44.1 | Very low | 43.3 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | trans | 28.6 | 118.2 | 137.3 | -9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 25 | N | 39.6 | Very low | 43.4 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 65% | 0.652 | 79% | 0.794 | S | S | * | * | 159 | 124.5 | 104.8 | -90.1 | -45 | 0 | 0 | 0 | 114.2 | |||||
| 26 | Q | 46 | Very low | 44.1 | Very low | 170 Ų | 170 | 135.9 Ų | 135.9 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 53.5 | 133.6 | 133.6 | -54.9 | 174.9 | 43.6 | 0 | 0 | 118.7 | ||||
| 27 | S | 45.2 | Very low | 43.9 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | cis | -174.3 | 138.5 | 10.7 | 39.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 28 | A | 37.7 | Very low | 44.3 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 14.3 | 124.9 | 150.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 29 | A | 44.6 | Very low | 44.6 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -165.4 | 114.5 | 132.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 30 | D | 39.8 | Very low | 44.8 | Very low | 160 Ų | 160 | 139 Ų | 139 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | -71.1 | 137.1 | 175.1 | -65.2 | -77.8 | 0 | 0 | 0 | 113.4 | ||||
| 31 | V | 49.6 | Very low | 44.9 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | trans | -150 | 113.2 | 153.3 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 32 | E | 48.7 | Very low | 44.9 | Very low | 179 Ų | 179 | 144.3 Ų | 144.3 | 84% | 0.836 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 155.9 | 170.3 | -117.4 | -161.7 | 141.2 | 0 | 0 | 112.6 | ||
| 33 | P | 51 | Low | 45 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 145.1 | 176.3 | 33.7 | -27.5 | 0 | 0 | 0 | 113.9 | ||
| 34 | R | 48.2 | Very low | 45.2 | Very low | 248 Ų | 248 | 141.3 Ų | 141.3 | 94% | 0.936 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 142.5 | -172.7 | -70.7 | 176 | 161 | -150.1 | -3.2 | 114.4 | ||
| 35 | E | 46.8 | Very low | 45.1 | Very low | 186 Ų | 186 | 142.3 Ų | 142.3 | 87% | 0.869 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 154.2 | 153.5 | -71.6 | -158.4 | 138.6 | 0 | 0 | 111.9 | ||
| 36 | P | 56.3 | Low | 45.5 | Very low | 130 Ų | 130 | 142.2 Ų | 142.2 | 84% | 0.844 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 130.8 | 178 | 34.8 | -28.6 | 0 | 0 | 0 | 113.3 | ||
| 37 | T | 39.4 | Very low | 45.5 | Very low | 137 Ų | 137 | 142.3 Ų | 142.3 | 84% | 0.84 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 138.4 | 174.3 | 49 | 0 | 0 | 0 | 0 | 112.3 | ||
| 38 | S | 49.1 | Very low | 45.1 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 133.7 | 170.1 | 53.2 | 0 | 0 | 0 | 0 | 111.7 | ||
| 39 | K | 44.8 | Very low | 45.3 | Very low | 201 Ų | 201 | 147.1 Ų | 147.1 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 132.4 | 180 | -68.3 | 173.5 | 175.9 | 175.6 | 0 | 112.5 | ||
| 40 | T | 46.2 | Very low | 45.1 | Very low | 150 Ų | 150 | 151.9 Ų | 151.9 | 92% | 0.92 | 83% | 0.831 | S | S | * | * | trans | -155.5 | 126.5 | 136.1 | 39.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 41 | A | 40.4 | Very low | 45.2 | Very low | 94 Ų | 94 | 148.8 Ų | 148.8 | 78% | 0.777 | 82% | 0.823 | S | S | * | * | trans | -126.9 | 165.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 42 | E | 43.8 | Very low | 44.7 | Very low | 194 Ų | 194 | 152.7 Ų | 152.7 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | trans | 95.9 | 129.8 | 169.1 | -55.2 | -159.5 | 137 | 0 | 0 | 115.9 | ||||
| 43 | A | 43.4 | Very low | 44.3 | Very low | 98 Ų | 98 | 147.5 Ų | 147.5 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | cis | -170.4 | 160.2 | -7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 44 | G | 45.1 | Very low | 43.8 | Very low | 73 Ų | 73 | 146.4 Ų | 146.4 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | 95.3 | 85.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 45 | N | 42.1 | Very low | 43.4 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | 68.8 | 104.2 | 85.3 | -157 | 23.3 | 0 | 0 | 0 | 115.2 | |||||
| 46 | T | 47.1 | Very low | 43.4 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | 167.9 | 111.1 | 119.2 | 36.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 47 | E | 45.3 | Very low | 42.7 | Very low | 173 Ų | 173 | 131.3 Ų | 131.3 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | trans | 43.7 | 122.5 | 130.5 | -60.4 | -156.3 | 124.2 | 0 | 0 | 122.6 | ||||
| 48 | R | 38.4 | Very low | 42.6 | Very low | 232 Ų | 232 | 127.9 Ų | 127.9 | 88% | 0.875 | 74% | 0.741 | S | S | * | * | 107.1 | 93.7 | 123 | -152.1 | 163.4 | -171.3 | -164.6 | 1.8 | 118.7 | |||||
| 49 | A | 40.6 | Very low | 42.2 | Very low | 75 Ų | 75 | 130.8 Ų | 130.8 | 62% | 0.62 | 74% | 0.741 | S | S | * | * | 75.7 | 122.3 | 120.7 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 50 | K | 41.9 | Very low | 41.8 | Very low | 202 Ų | 202 | 130.2 Ų | 130.2 | 88% | 0.878 | 74% | 0.738 | S | S | * | * | trans | 65.6 | 131.8 | 135.9 | -73.4 | 168.1 | 170.9 | 170.8 | 0 | 115.6 | ||||
| 51 | S | 40.9 | Very low | 41.6 | Very low | 96 Ų | 96 | 134.1 Ų | 134.1 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | cis | 172.8 | 162.7 | 6 | 44.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 52 | R | 39.9 | Very low | 41.6 | Very low | 227 Ų | 227 | 139.1 Ų | 139.1 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | trans | 90.6 | 92.6 | 156.4 | -65 | 174.3 | 149.1 | -149.2 | -8.4 | 119.1 | ||||
| 53 | S | 38.6 | Very low | 41.6 | Very low | 70 Ų | 70 | 138.1 Ų | 138.1 | 49% | 0.49 | 74% | 0.735 | S | S | . | * | 19.6 | 127.7 | 116.2 | 62 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 54 | S | 41.5 | Very low | 41.2 | Very low | 98 Ų | 98 | 144.7 Ų | 144.7 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | -178.9 | 142.8 | 128.8 | 34.6 | 0 | 0 | 0 | 0 | 108.4 | Q178 | S54-Q178 PolarHBondContact O-NE2 3.1Š| |||
| 55 | S | 40.7 | Very low | 41 | Very low | 47 Ų | 47 | 146.5 Ų | 146.5 | 33% | 0.329 | 74% | 0.74 | S | S | . | * | trans | -112.6 | 172.8 | 162.6 | 7.4 | 0 | 0 | 0 | 0 | 108.3 | E177 Q178 | S55-E177 WeakPolarHBondContact CA-OE2 3.19Å; S55-E177 WeakPolarHBondContact CB-OE1 3.42Å; S55-E177 WeakPolarHBondContact CB-OE2 3.31Å; S55-E177 PolarHBondContact OG-OE1 3.28Å; S55-E177 PolarHBondContact OG-OE2 3.09Å; S55-E177 VanDerWaalsContact OG-OE2 3.11Å; S55-Q178 PolarHBondContact OG-NE2 2.97Å | ||
| 56 | P | 45.8 | Very low | 40.8 | Very low | 68 Ų | 68 | 151.3 Ų | 151.3 | 44% | 0.442 | 75% | 0.747 | S | S | . | * | -159.7 | 159.8 | 105.9 | 37.2 | -13.8 | 0 | 0 | 0 | 119.7 | E175 A176 E177 | P56-E175 HydrophobicContact CG-CG 4.49Å; P56-A176 HydrophobicContact CB-CB 4.42Å; P56-E177 WeakPolarHBondContact CA-OE2 3.5Å; P56-E177 WeakPolarHBondContact CB-OE2 3.33Å | |||
| 57 | V | 41.8 | Very low | 40.5 | Very low | 133 Ų | 133 | 151.5 Ų | 151.5 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | trans | 43.8 | 133.8 | 132.4 | -174.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 58 | G | 38.3 | Very low | 40.3 | Very low | 65 Ų | 65 | 152 Ų | 152 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | trans | 134.8 | 99.2 | 145.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 59 | E | 40.3 | Very low | 40.5 | Very low | 186 Ų | 186 | 148.2 Ų | 148.2 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | 99.4 | 119.7 | 80.4 | -164.2 | 162.7 | 172.2 | 0 | 0 | 114.4 | |||||
| 60 | K | 36.5 | Very low | 40.6 | Very low | 188 Ų | 188 | 153.6 Ų | 153.6 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | trans | -14.2 | 133.4 | 166.1 | -65.1 | 162.8 | 178 | 168.5 | 0 | 117.1 | ||||
| 61 | R | 42.2 | Very low | 40.6 | Very low | 232 Ų | 232 | 150.2 Ų | 150.2 | 88% | 0.875 | 74% | 0.735 | S | S | * | * | trans | -162.2 | 125.3 | 134.2 | -111.7 | 161.9 | 178.6 | 178.9 | -0.4 | 114.5 | ||||
| 62 | K | 38.8 | Very low | 40.7 | Very low | 200 Ų | 200 | 155.5 Ų | 155.5 | 87% | 0.87 | 74% | 0.74 | S | S | * | * | trans | -65 | 134 | 165.4 | -69.6 | 169.9 | 174.3 | 172.9 | 0 | 109.7 | ||||
| 63 | H | 45 | Very low | 40.7 | Very low | 173 Ų | 173 | 154.1 Ų | 154.1 | 80% | 0.801 | 74% | 0.74 | S | S | * | * | trans | -137.7 | 104.8 | 153.2 | -87.5 | -78.4 | 0 | 0 | 0 | 111.3 | ||||
| 64 | R | 35.4 | Very low | 41 | Very low | 236 Ų | 236 | 158.3 Ų | 158.3 | 89% | 0.891 | 76% | 0.757 | S | S | * | * | trans | -67.8 | 137.4 | 150.5 | -92.4 | 174.5 | 159.5 | 175.7 | -5.1 | 108 | ||||
| 65 | S | 39.2 | Very low | 41 | Very low | 111 Ų | 111 | 161.8 Ų | 161.8 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | 169.5 | 104.8 | 140.4 | -73.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 66 | R | 38.2 | Very low | 41.1 | Very low | 246 Ų | 246 | 166 Ų | 166 | 93% | 0.928 | 78% | 0.781 | S | S | * | * | 54.3 | 107.7 | 102.7 | -77.5 | -177.3 | 170.2 | 159.4 | -2.8 | 114.5 | |||||
| 67 | S | 40.6 | Very low | 41 | Very low | 124 Ų | 124 | 171.7 Ų | 171.7 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -158.1 | 121.8 | 130.1 | -131.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 68 | H | 41.1 | Very low | 41 | Very low | 184 Ų | 184 | 173.3 Ų | 173.3 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | trans | -51.4 | 160 | 163 | -84.6 | -97.7 | 0 | 0 | 0 | 111 | ||||
| 69 | K | 42.4 | Very low | 41.1 | Very low | 152 Ų | 152 | 174.4 Ų | 174.4 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | 158.1 | 116.8 | 113.8 | -172.8 | 170.5 | -167.5 | 176.1 | 0 | 113 | |||||
| 70 | R | 43.6 | Very low | 41.1 | Very low | 188 Ų | 188 | 176.7 Ų | 176.7 | 71% | 0.709 | 80% | 0.796 | S | S | * | * | trans | 71.8 | 148.1 | 142.9 | -67 | 176.5 | -169.9 | -179.5 | -4.1 | 115.6 | ||||
| 71 | K | 42.3 | Very low | 41.3 | Very low | 131 Ų | 131 | 173 Ų | 173 | 57% | 0.57 | 79% | 0.794 | S | S | * | * | cis | -174.6 | 146.8 | 10.8 | -119 | 171.3 | 174.2 | -178.6 | 0 | 107.3 | ||||
| 72 | R | 42.3 | Very low | 41.5 | Very low | 207 Ų | 207 | 167.4 Ų | 167.4 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | 83.3 | 111.1 | 135.9 | -71 | 169.6 | 178.1 | -175.3 | -7.2 | 122 | ||||
| 73 | K | 41.4 | Very low | 41.7 | Very low | 198 Ų | 198 | 167.7 Ų | 167.7 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -11.9 | 138.2 | 136.8 | -76.7 | 176.1 | 167.3 | -179.4 | 0 | 117.3 | ||||
| 74 | N | 44.7 | Very low | 41.6 | Very low | 157 Ų | 157 | 170.4 Ų | 170.4 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -160.4 | 111.4 | 140.1 | -85.2 | -26.9 | 0 | 0 | 0 | 106.7 | ||||
| 75 | H | 41.2 | Very low | 42 | Very low | 172 Ų | 172 | 166.6 Ų | 166.6 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | 88.7 | 131.4 | 78.1 | -107.2 | -59.5 | 0 | 0 | 0 | 115 | |||||
| 76 | D | 41.8 | Very low | 42.2 | Very low | 134 Ų | 134 | 167.1 Ų | 167.1 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | trans | -57.9 | 160.5 | -174.2 | -50.4 | -86.2 | 0 | 0 | 0 | 117.5 | ||||
| 77 | K | 43.6 | Very low | 42.5 | Very low | 189 Ų | 189 | 162.7 Ų | 162.7 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | 148.8 | 142.3 | 144.5 | -83.5 | 167.4 | -177.3 | -175.4 | 0 | 108 | ||||
| 78 | E | 41.5 | Very low | 42.4 | Very low | 166 Ų | 166 | 167.5 Ų | 167.5 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | cis | -164.5 | 157.6 | 28.7 | -138.9 | 155.3 | 130.3 | 0 | 0 | 111.8 | ||||
| 79 | S | 41.6 | Very low | 42.6 | Very low | 89 Ų | 89 | 168 Ų | 168 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | trans | -64.5 | 159.2 | -178.7 | 48 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 80 | R | 40 | Very low | 42.4 | Very low | 234 Ų | 234 | 163.7 Ų | 163.7 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | 160.2 | 107.8 | 125.3 | -86.7 | 163.2 | 177.7 | -172 | 0.3 | 111.2 | |||||
| 81 | S | 41.5 | Very low | 42.2 | Very low | 110 Ų | 110 | 166.3 Ų | 166.3 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | 76 | 112 | 85.8 | 177.6 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 82 | S | 45.1 | Very low | 42.2 | Very low | 115 Ų | 115 | 164.1 Ų | 164.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 172.4 | 100.6 | 137.7 | -74.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 83 | K | 44.3 | Very low | 42.1 | Very low | 205 Ų | 205 | 165.4 Ų | 165.4 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | 64 | 106.1 | 89.2 | -98.5 | -179.4 | 176.6 | 171.1 | 0 | 117.6 | |||||
| 84 | R | 41.3 | Very low | 42.1 | Very low | 231 Ų | 231 | 160.4 Ų | 160.4 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | 174.1 | 115.3 | 128.7 | -103.8 | 178.6 | 158.1 | -165.7 | -5.7 | 110.7 | |||||
| 85 | K | 43.8 | Very low | 42.1 | Very low | 155 Ų | 155 | 160.8 Ų | 160.8 | 67% | 0.674 | 77% | 0.767 | S | S | * | * | 71 | 135.3 | 95.8 | -81.2 | -170 | 161.3 | -125.3 | 0 | 112.9 | |||||
| 86 | E | 43.7 | Very low | 42.3 | Very low | 122 Ų | 122 | 161.3 Ų | 161.3 | 57% | 0.57 | 77% | 0.767 | S | S | * | * | cis | -176.3 | 156.3 | 6.5 | -117.6 | 166.3 | -176.5 | 0 | 0 | 109.9 | ||||
| 87 | H | 44.5 | Very low | 42.1 | Very low | 154 Ų | 154 | 166.4 Ų | 166.4 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | 73.7 | 103.4 | 144.2 | -67 | -55.2 | 0 | 0 | 0 | 125.7 | ||||
| 88 | R | 39.7 | Very low | 42.1 | Very low | 224 Ų | 224 | 168 Ų | 168 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | -6.4 | 137.6 | 130.9 | -66.5 | 176 | 174.9 | -175 | -2.2 | 118.2 | ||||
| 89 | H | 45.3 | Very low | 42.1 | Very low | 194 Ų | 194 | 169 Ų | 169 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | -153.7 | 113.8 | 127.5 | -91.8 | -67.1 | 0 | 0 | 0 | 111.1 | |||||
| 90 | G | 37.4 | Very low | 41.9 | Very low | 63 Ų | 63 | 169.2 Ų | 169.2 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | trans | -101.1 | 145.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 91 | R | 39.6 | Very low | 41.9 | Very low | 242 Ų | 242 | 163 Ų | 163 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | trans | 180 | 110.8 | 149.5 | -104.7 | 174.4 | -172.9 | -155.1 | 1.7 | 113.1 | ||||
| 92 | S | 42 | Very low | 41.8 | Very low | 86 Ų | 86 | 169.1 Ų | 169.1 | 60% | 0.601 | 78% | 0.779 | S | S | * | * | 90.4 | 139.1 | 124.6 | -23.8 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 93 | R | 40.6 | Very low | 41.5 | Very low | 234 Ų | 234 | 168.2 Ų | 168.2 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | 89.4 | 135.8 | 146.9 | -65.8 | 157.9 | -175.5 | 172.6 | -0.5 | 115.8 | ||||
| 94 | S | 41.6 | Very low | 41.4 | Very low | 92 Ų | 92 | 167.9 Ų | 167.9 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | cis | 177.3 | 156.9 | -13.9 | -115 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 95 | H | 45.1 | Very low | 41.5 | Very low | 165 Ų | 165 | 161.2 Ų | 161.2 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | trans | 77.7 | 136.9 | 165.2 | -60.5 | -61 | 0 | 0 | 0 | 117 | ||||
| 96 | K | 43.8 | Very low | 41.6 | Very low | 183 Ų | 183 | 164.1 Ų | 164.1 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | cis | -160.6 | 132 | 6.8 | -117.6 | 161.8 | -173.5 | 173.8 | 0 | 108 | ||||
| 97 | R | 38.9 | Very low | 41.7 | Very low | 241 Ų | 241 | 163.8 Ų | 163.8 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | -67.5 | 148 | 160.1 | -73.2 | 173.4 | 162 | -164.2 | -5 | 110.3 | ||||
| 98 | R | 42.5 | Very low | 41.5 | Very low | 222 Ų | 222 | 167.4 Ų | 167.4 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -172.2 | 118.1 | 141.1 | -100 | 160.7 | -171.4 | -150 | 2 | 107.8 | ||||
| 99 | K | 41.1 | Very low | 41.5 | Very low | 189 Ų | 189 | 161.3 Ų | 161.3 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | 66.2 | 137.3 | 92.5 | -75.5 | -171.4 | 179.6 | -177.1 | 0 | 111 | |||||
| 100 | S | 39.2 | Very low | 41.2 | Very low | 92 Ų | 92 | 158 Ų | 158 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | cis | 170.5 | 140.6 | 0.4 | 46.7 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 101 | S | 38.5 | Very low | 41.3 | Very low | 105 Ų | 105 | 163 Ų | 163 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | 41 | 116.4 | 143.4 | 61.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 102 | R | 39.3 | Very low | 41.5 | Very low | 237 Ų | 237 | 157 Ų | 157 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | 169.5 | 113.1 | 128.1 | -105.2 | 172.4 | 153.4 | 163.7 | -7.7 | 109.1 | |||||
| 103 | S | 40 | Very low | 41.5 | Very low | 97 Ų | 97 | 164.2 Ų | 164.2 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | 83.9 | 120.9 | 83.6 | -63.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 104 | K | 40.8 | Very low | 41.5 | Very low | 198 Ų | 198 | 164.5 Ų | 164.5 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | 59 | 119.5 | 140.2 | -77.7 | 173.5 | 172.5 | 174.4 | 0 | 115.5 | ||||
| 105 | S | 43.7 | Very low | 41.3 | Very low | 91 Ų | 91 | 171.8 Ų | 171.8 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | 169.5 | 154.1 | 54.8 | 49.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 106 | R | 45.4 | Very low | 40.9 | Very low | 216 Ų | 216 | 175.9 Ų | 175.9 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | trans | 71.4 | 134.1 | 142.8 | -73.8 | 166.1 | -174.5 | 176.8 | -0.8 | 116.8 | ||||
| 107 | D | 45.7 | Very low | 40.7 | Very low | 115 Ų | 115 | 172.4 Ų | 172.4 | 62% | 0.615 | 80% | 0.801 | S | S | * | * | cis | -169.9 | 130 | 21.5 | -104 | -28.7 | 0 | 0 | 0 | 108.5 | ||||
| 108 | R | 41.7 | Very low | 40.6 | Very low | 230 Ų | 230 | 172.3 Ų | 172.3 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | 113.5 | 136.2 | 118.8 | -81.8 | 165.6 | -173.2 | 173.5 | 2.1 | 111.5 | |||||
| 109 | S | 39.5 | Very low | 40.5 | Very low | 95 Ų | 95 | 167.7 Ų | 167.7 | 66% | 0.664 | 80% | 0.803 | S | S | * | * | cis | -164.5 | 136.6 | -17 | -173.2 | 0 | 0 | 0 | 0 | 106 | ||||
| 110 | P | 39.6 | Very low | 40.4 | Very low | 125 Ų | 125 | 170.5 Ų | 170.5 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -97.9 | 116.7 | 172.5 | 32.4 | -23.2 | 0 | 0 | 0 | 110.7 | ||||
| 111 | E | 39.5 | Very low | 40.4 | Very low | 169 Ų | 169 | 171.3 Ų | 171.3 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -133.6 | 99.8 | 177.8 | -161 | 71.4 | -147.8 | 0 | 0 | 110.5 | ||||
| 112 | S | 42.6 | Very low | 40.5 | Very low | 116 Ų | 116 | 174.7 Ų | 174.7 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | trans | 173.9 | 53.1 | 149.7 | 51.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 113 | R | 41.6 | Very low | 40.6 | Very low | 237 Ų | 237 | 174.7 Ų | 174.7 | 89% | 0.894 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -139.2 | 121.3 | 156.6 | -81.2 | -169.6 | -177.5 | -180 | 0.9 | 110.2 | ||
| 114 | R | 40.8 | Very low | 40.5 | Very low | 240 Ų | 240 | 181 Ų | 181 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | trans | 83.4 | 103.5 | 166.7 | -58.3 | 175.1 | 172.5 | -179.8 | -2.5 | 116.3 | ||||
| 115 | R | 38.7 | Very low | 40.3 | Very low | 244 Ų | 244 | 176.1 Ų | 176.1 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -175.2 | 105.9 | 130.9 | -99.6 | 165.6 | -165 | -148.8 | 6.4 | 109.8 | ||||
| 116 | R | 35 | Very low | 40.1 | Very low | 252 Ų | 252 | 181.5 Ų | 181.5 | 95% | 0.951 | 83% | 0.829 | S | S | * | * | -174.9 | 94.7 | 129.7 | -106.7 | 169.8 | 179.9 | 154.9 | 0.5 | 109.7 | |||||
| 117 | S | 39.7 | Very low | 39.6 | Very low | 109 Ų | 109 | 176.2 Ų | 176.2 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | trans | -102.5 | 143 | 157.5 | -43.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 118 | R | 38.7 | Very low | 39.4 | Very low | 239 Ų | 239 | 177.8 Ų | 177.8 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | trans | 75.9 | 106.8 | 162.5 | -59.9 | 173.9 | 174.3 | 157.4 | -2.3 | 116.9 | ||||
| 119 | S | 38.5 | Very low | 39.4 | Very low | 126 Ų | 126 | 171.1 Ų | 171.1 | 88% | 0.881 | 82% | 0.821 | S | S | * | * | -163.8 | 105.4 | 123.5 | -76.5 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 120 | R | 39.7 | Very low | 39.5 | Very low | 247 Ų | 247 | 177.7 Ų | 177.7 | 93% | 0.932 | 83% | 0.831 | S | S | * | * | trans | -72 | 133.4 | 161.4 | -78.9 | 171.5 | 165.4 | 154.9 | -5.7 | 107.8 | ||||
| 121 | S | 40.3 | Very low | 39.6 | Very low | 109 Ų | 109 | 179.9 Ų | 179.9 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | trans | 176.3 | 123.4 | 137.9 | 39.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 122 | H | 40.3 | Very low | 39.5 | Very low | 177 Ų | 177 | 182.6 Ų | 182.6 | 82% | 0.819 | 83% | 0.831 | S | S | * | * | trans | 56.3 | 108.8 | 134.6 | -87.8 | -12.5 | 0 | 0 | 0 | 122.3 | ||||
| 123 | R | 40.6 | Very low | 39.4 | Very low | 236 Ų | 236 | 182.5 Ų | 182.5 | 89% | 0.891 | 83% | 0.83 | S | S | * | * | 156.6 | 108.1 | 109.9 | -86.9 | 168.6 | -174.4 | -160.2 | 2.4 | 107.5 | |||||
| 124 | R | 37.7 | Very low | 39.2 | Very low | 231 Ų | 231 | 176.7 Ų | 176.7 | 87% | 0.872 | 83% | 0.826 | S | S | * | * | 69.2 | 105.9 | 70.8 | -163.9 | 167.3 | -169.5 | 179 | 3.8 | 112.9 | |||||
| 125 | S | 36.4 | Very low | 39.1 | Very low | 94 Ų | 94 | 169.9 Ų | 169.9 | 66% | 0.657 | 82% | 0.815 | S | S | * | * | trans | 76.2 | 113.3 | 143.8 | -58 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 126 | K | 39.3 | Very low | 39.2 | Very low | 204 Ų | 204 | 168.8 Ų | 168.8 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | -151.4 | 90.4 | 131 | -114.7 | 170 | -177.8 | 173.7 | 0 | 110.6 | ||||
| 127 | S | 35 | Very low | 39.5 | Very low | 105 Ų | 105 | 163.8 Ų | 163.8 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -84.5 | 133.1 | 151.6 | 37.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 128 | I | 43.3 | Very low | 39.4 | Very low | 149 Ų | 149 | 169.4 Ų | 169.4 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | trans | -170.7 | 99.4 | 160 | -90.9 | 141.4 | 0 | 0 | 0 | 104 | ||||
| 129 | S | 40.8 | Very low | 39.3 | Very low | 90 Ų | 90 | 169.1 Ų | 169.1 | 63% | 0.629 | 81% | 0.808 | S | S | * | * | 77.8 | 111.8 | 84.1 | 165.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 130 | R | 41.5 | Very low | 39.3 | Very low | 233 Ų | 233 | 174.1 Ų | 174.1 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | 180 | 96.6 | 138.4 | -92.1 | 155.6 | -165.7 | -155.2 | 5.2 | 108 | ||||
| 131 | K | 41.8 | Very low | 39.2 | Very low | 170 Ų | 170 | 172 Ų | 172 | 74% | 0.739 | 80% | 0.801 | S | S | * | * | 78.9 | 106 | 92.9 | -81.9 | -177.7 | 175.9 | -178.2 | 0 | 112.4 | |||||
| 132 | R | 37.9 | Very low | 39.2 | Very low | 226 Ų | 226 | 171.1 Ų | 171.1 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | 71.8 | 119.8 | 103.7 | -75 | -177.8 | 176.3 | -179.3 | -2.1 | 111.6 | |||||
| 133 | S | 40.9 | Very low | 39 | Very low | 114 Ų | 114 | 169 Ų | 169 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | -169.3 | 128.6 | 62.8 | -54.1 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 134 | S | 36.9 | Very low | 38.9 | Very low | 115 Ų | 115 | 161.9 Ų | 161.9 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | 59.6 | 97.6 | 83 | 176 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 135 | S | 38.7 | Very low | 38.9 | Very low | 98 Ų | 98 | 162.1 Ų | 162.1 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | trans | 173.3 | 118.5 | 131.4 | -97 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 136 | R | 41.2 | Very low | 39.1 | Very low | 221 Ų | 221 | 169 Ų | 169 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | 62.6 | 117.3 | 106.7 | -86.3 | 179.4 | 173.5 | 154.6 | -3.8 | 111.8 | |||||
| 137 | D | 39.8 | Very low | 39 | Very low | 146 Ų | 146 | 169.5 Ų | 169.5 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | cis | -158.5 | 152.8 | 47.6 | -86.1 | -50.7 | 0 | 0 | 0 | 114.5 | ||||
| 138 | R | 37.7 | Very low | 39 | Very low | 228 Ų | 228 | 169.6 Ų | 169.6 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -68.7 | 144.9 | 163.1 | -62.2 | 168.2 | -171.8 | 166.2 | 2.6 | 108.9 | ||||
| 139 | Y | 38 | Very low | 38.9 | Very low | 232 Ų | 232 | 166.9 Ų | 166.9 | 91% | 0.91 | 79% | 0.788 | S | S | * | * | trans | -154.8 | 120.1 | 132.3 | -107.6 | -79.6 | 0 | 0 | 0 | 111.2 | ||||
| 140 | R | 38.3 | Very low | 38.8 | Very low | 231 Ų | 231 | 173.6 Ų | 173.6 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -65 | 143.3 | 156.8 | -78.7 | 174.5 | 172.5 | 170.8 | -3.7 | 108.3 | ||||
| 141 | Y | 36.5 | Very low | 38.6 | Very low | 204 Ų | 204 | 173 Ų | 173 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | -137.9 | 111.2 | 149.4 | -156.5 | -103.1 | 0 | 0 | 0 | 110.8 | ||||
| 142 | S | 39.6 | Very low | 38.4 | Very low | 90 Ų | 90 | 175.2 Ų | 175.2 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | trans | -83.4 | 156.8 | 165.3 | -62.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 143 | P | 37 | Very low | 38.3 | Very low | 131 Ų | 131 | 169.8 Ų | 169.8 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -78.8 | 130.1 | -173.6 | -4.4 | 22.7 | 0 | 0 | 0 | 111.5 | ||||
| 144 | S | 39.6 | Very low | 38 | Very low | 87 Ų | 87 | 169.6 Ų | 169.6 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | trans | -148.9 | 117.3 | 175.4 | 169.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 145 | R | 37.1 | Very low | 38.1 | Very low | 236 Ų | 236 | 168.9 Ų | 168.9 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | trans | -20.3 | 137.1 | 150.5 | -65.8 | 168.5 | 175.5 | -123.1 | -1.6 | 117.5 | ||||
| 146 | R | 39.5 | Very low | 37.9 | Very low | 238 Ų | 238 | 173 Ų | 173 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | trans | -176.3 | 134.1 | 136.2 | -102.6 | 176.6 | -123.5 | -150.2 | 0.9 | 105.8 | ||||
| 147 | Y | 37.1 | Very low | 37.8 | Very low | 216 Ų | 216 | 167.7 Ų | 167.7 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | -159.2 | 147.8 | 67.1 | -160.1 | -105.3 | 0 | 0 | 0 | 111.5 | |||||
| 148 | S | 36 | Very low | 37.6 | Very low | 106 Ų | 106 | 171.6 Ų | 171.6 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -112.1 | 139.1 | -171.9 | 133.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 149 | S | 40.9 | Very low | 37.4 | Very low | 92 Ų | 92 | 165.5 Ų | 165.5 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | trans | 175.7 | 131.6 | 152.3 | 48.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 150 | R | 37.8 | Very low | 37.4 | Very low | 231 Ų | 231 | 166.1 Ų | 166.1 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | cis | -162.3 | 133.8 | 17.2 | -95.6 | 155.2 | -176.1 | -145.2 | 1.3 | 105.5 | ||||
| 151 | R | 37.6 | Very low | 37.2 | Very low | 222 Ų | 222 | 158 Ų | 158 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | 52.5 | 121.6 | 99.4 | -86.5 | -170.9 | -177.6 | -133.1 | 4.7 | 112.7 | |||||
| 152 | R | 37.4 | Very low | 37.3 | Very low | 215 Ų | 215 | 155 Ų | 155 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | cis | -162.4 | 132.3 | 45.9 | -79.9 | 169 | -176.4 | -147 | -0.5 | 108 | ||||
| 153 | S | 36.5 | Very low | 37.2 | Very low | 112 Ų | 112 | 159.4 Ų | 159.4 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | 80.8 | 120.6 | 75.8 | -53 | 0 | 0 | 0 | 0 | 116 | |||||
| 154 | S | 35.2 | Very low | 37.1 | Very low | 111 Ų | 111 | 159.2 Ų | 159.2 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 74.8 | 135.2 | 145.2 | -150.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 155 | S | 39.2 | Very low | 36.9 | Very low | 100 Ų | 100 | 164 Ų | 164 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | cis | -165.8 | 128.8 | 30.7 | -34.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 156 | H | 34.6 | Very low | 36.9 | Very low | 184 Ų | 184 | 159.7 Ų | 159.7 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | 41.4 | 103.6 | 87.4 | -95.9 | 90.2 | 0 | 0 | 0 | 117.5 | |||||
| 157 | S | 37.7 | Very low | 36.7 | Very low | 110 Ų | 110 | 158.2 Ų | 158.2 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | 176.5 | 101.1 | 136.5 | 50.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 158 | R | 35.4 | Very low | 36.8 | Very low | 228 Ų | 228 | 152.1 Ų | 152.1 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | 71.5 | 113.5 | 88.6 | -78.6 | -173.6 | 167.2 | -175.7 | -3.5 | 114.9 | |||||
| 159 | S | 34.9 | Very low | 37.1 | Very low | 100 Ų | 100 | 154.7 Ų | 154.7 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | 98.8 | 139.2 | 119 | 61.6 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 160 | R | 37 | Very low | 37.1 | Very low | 245 Ų | 245 | 153.8 Ų | 153.8 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | trans | 93.4 | 111.4 | 165 | -56.8 | 176.5 | 177.1 | -176.5 | -2.3 | 113.9 | ||||
| 161 | G | 34.1 | Very low | 36.9 | Very low | 61 Ų | 61 | 152.6 Ų | 152.6 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | cis | 89.9 | 126.1 | 22.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 162 | T | 39.5 | Very low | 36.9 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | trans | 100.6 | 130.9 | -174.7 | 74.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 163 | F | 37 | Very low | 36.7 | Very low | 183 Ų | 183 | 141.3 Ų | 141.3 | 80% | 0.803 | 76% | 0.757 | S | S | * | * | cis | -168 | 132.1 | 17.9 | -139.7 | -115.4 | 0 | 0 | 0 | 105.2 | ||||
| 164 | D | 34.9 | Very low | 36.6 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | 40.7 | 135.5 | 104 | -92.7 | -58 | 0 | 0 | 0 | 114.1 | |||||
| 165 | R | 34.7 | Very low | 36.6 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | cis | 170.9 | 162 | 16.8 | -172.8 | 173.3 | 150.7 | 115.4 | 3.5 | 106.8 | ||||
| 166 | E | 37.7 | Very low | 36.3 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | trans | 71.1 | 133.6 | 162.4 | -80 | 147.6 | -176 | 0 | 0 | 117 | ||||
| 167 | R | 36.3 | Very low | 36.4 | Very low | 206 Ų | 206 | 136.3 Ų | 136.3 | 78% | 0.777 | 72% | 0.723 | S | S | * | * | -171.5 | 117.7 | 58.2 | -166.9 | 168.1 | -175.6 | 165.5 | 2.5 | 109.5 | E169 | R167-E169 IonicContact NE-OE1 2.97Å; R167-E169 IonicContact NH2-OE1 3.88Å | |||
| 168 | S | 39 | Very low | 36.5 | Very low | 89 Ų | 89 | 136.1 Ų | 136.1 | 62% | 0.622 | 71% | 0.71 | S | S | * | * | 37 | 127.9 | 103.8 | 74.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 169 | E | 42.9 | Very low | 36.5 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | -173 | 130.7 | 69.5 | -80.8 | 159.5 | -156.8 | 0 | 0 | 108.3 | R167 | R167-E169 IonicContact NE-OE1 2.97Å; R167-E169 IonicContact NH2-OE1 3.88Å | |||
| 170 | G | 38.9 | Very low | 36.8 | Very low | 74 Ų | 74 | 135.2 Ų | 135.2 | 76% | 0.763 | 72% | 0.719 | S | S | * | * | 106.2 | 142.3 | 108 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 171 | F | 35.6 | Very low | 36.9 | Very low | 206 Ų | 206 | 130.4 Ų | 130.4 | 90% | 0.904 | 71% | 0.712 | S | S | * | * | cis | -167.5 | 120.1 | 7.4 | -147.5 | -104.7 | 0 | 0 | 0 | 106 | ||||
| 172 | A | 36.6 | Very low | 37.1 | Very low | 64 Ų | 64 | 134.5 Ų | 134.5 | 53% | 0.529 | 72% | 0.719 | S | S | . | * | 64.9 | 110.9 | 114.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 173 | T | 33.9 | Very low | 37 | Very low | 136 Ų | 136 | 134 Ų | 134 | 83% | 0.834 | 72% | 0.716 | S | S | * | * | 81.3 | 119.4 | 101.9 | 59.1 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 174 | A | 34.8 | Very low | 37.2 | Very low | 87 Ų | 87 | 132.8 Ų | 132.8 | 72% | 0.719 | 72% | 0.717 | S | S | * | * | 112.6 | 146.7 | 119.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 175 | E | 33.3 | Very low | 37.3 | Very low | 162 Ų | 162 | 132 Ų | 132 | 76% | 0.757 | 72% | 0.717 | S | S | * | * | cis | -167.5 | 172.1 | 11.7 | -121.2 | 166.4 | 143.1 | 0 | 0 | 107 | P56 | P56-E175 HydrophobicContact CG-CG 4.49Š| ||
| 176 | A | 34.5 | Very low | 37.4 | Very low | 56 Ų | 56 | 130.4 Ų | 130.4 | 46% | 0.463 | 72% | 0.722 | S | S | . | * | trans | -74.8 | 167.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | P56 | P56-A176 HydrophobicContact CB-CB 4.42Š| ||
| 177 | E | 36.5 | Very low | 37.4 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 45% | 0.453 | 73% | 0.729 | S | S | . | * | trans | 110.9 | 134.4 | 135.2 | -97.6 | 167.6 | 135.9 | 0 | 0 | 123.3 | S55 P56 | S55-E177 WeakPolarHBondContact CA-OE2 3.19Å; S55-E177 WeakPolarHBondContact CB-OE1 3.42Å; S55-E177 WeakPolarHBondContact CB-OE2 3.31Å; S55-E177 PolarHBondContact OG-OE1 3.28Å; S55-E177 PolarHBondContact OG-OE2 3.09Å; S55-E177 VanDerWaalsContact OG-OE2 3.11Å; P56-E177 WeakPolarHBondContact CA-OE2 3.5Å; P56-E177 WeakPolarHBondContact CB-OE2 3.33Å | ||
| 178 | Q | 38.6 | Very low | 37.5 | Very low | 106 Ų | 106 | 128.3 Ų | 128.3 | 50% | 0.495 | 73% | 0.73 | S | S | . | * | trans | 106.4 | 114.9 | 151.8 | -70.3 | 176 | 30.4 | 0 | 0 | 119.6 | S54 S55 | S54-Q178 PolarHBondContact O-NE2 3.1Å; S55-Q178 PolarHBondContact OG-NE2 2.97Å | ||
| 179 | M | 36.6 | Very low | 37.3 | Very low | 192 Ų | 192 | 134.9 Ų | 134.9 | 95% | 0.946 | 74% | 0.742 | S | S | * | * | trans | -57.7 | 139.4 | 166.1 | -58.6 | 139.1 | 110.2 | 0 | 0 | 111.6 | ||||
| 180 | S | 40.4 | Very low | 37.1 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -172.8 | 138.3 | 135.7 | 60.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 181 | N | 38.3 | Very low | 37.2 | Very low | 144 Ų | 144 | 138 Ų | 138 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | -57.4 | 155 | -179 | -56.3 | -54.4 | 0 | 0 | 0 | 116.2 | ||||
| 182 | N | 38.6 | Very low | 37.5 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | trans | 155.2 | 107.4 | 132.5 | -79.3 | -12.7 | 0 | 0 | 0 | 109.4 | ||||
| 183 | V | 38.3 | Very low | 37.6 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | 57.7 | 107.2 | 88.2 | 178.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 184 | L | 40.9 | Very low | 37.7 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | -171.4 | 134.3 | 118.7 | -138.5 | 80.2 | 0 | 0 | 0 | 112.1 | |||||
| 185 | V | 36.8 | Very low | 37.9 | Very low | 111 Ų | 111 | 137 Ų | 137 | 67% | 0.673 | 74% | 0.735 | S | S | * | * | trans | -73.1 | 153.5 | 169.8 | 169.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 186 | N | 38 | Very low | 38.1 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 81% | 0.807 | 73% | 0.732 | S | S | * | * | trans | -178.8 | 94.9 | 134.4 | -88.1 | -11.6 | 0 | 0 | 0 | 114.9 | ||||
| 187 | K | 36.4 | Very low | 38.4 | Very low | 194 Ų | 194 | 140.4 Ų | 140.4 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | 11.5 | 127.2 | 119.8 | -140.2 | 162.3 | -177.6 | 171.3 | 0 | 120.5 | |||||
| 188 | S | 38.4 | Very low | 38.4 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | 179.5 | 129.1 | 128.1 | 52.2 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 189 | R | 35.4 | Very low | 38.3 | Very low | 228 Ų | 228 | 142 Ų | 142 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | cis | 90.7 | 114.3 | 49.8 | -128.4 | -171.3 | -166.4 | 178.9 | 1.1 | 113.9 | ||||
| 190 | F | 38.3 | Very low | 38.3 | Very low | 189 Ų | 189 | 136.8 Ų | 136.8 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | trans | 176.5 | 104.3 | 142.4 | -120.7 | -103.7 | 0 | 0 | 0 | 108.1 | ||||
| 191 | D | 41.3 | Very low | 38.1 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 58% | 0.583 | 75% | 0.75 | S | S | * | * | 77.5 | 145.8 | 91.8 | -66.9 | -40.3 | 0 | 0 | 0 | 113.5 | |||||
| 192 | E | 41.2 | Very low | 38 | Very low | 153 Ų | 153 | 138 Ų | 138 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | cis | -178.3 | 152.6 | -29.2 | -141.2 | -170.2 | 176.4 | 0 | 0 | 105.3 | ||||
| 193 | N | 38.4 | Very low | 37.9 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | trans | 74.3 | 134.9 | 159.6 | -49.7 | -36.8 | 0 | 0 | 0 | 119.4 | ||||
| 194 | G | 35.8 | Very low | 37.8 | Very low | 68 Ų | 68 | 135.9 Ų | 135.9 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | cis | 170.1 | 155.4 | 0.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 195 | S | 38.8 | Very low | 37.5 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | trans | 62.3 | 141.6 | 146.1 | 117.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 196 | D | 38.7 | Very low | 37.5 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 69% | 0.69 | 73% | 0.733 | S | S | * | * | cis | -166.7 | 170.4 | 4.9 | -77.2 | -48.9 | 0 | 0 | 0 | 110.1 | ||||
| 197 | H | 40.4 | Very low | 37.4 | Very low | 161 Ų | 161 | 132.9 Ų | 132.9 | 75% | 0.745 | 73% | 0.733 | S | S | * | * | trans | 70.8 | 143.1 | 155.5 | -79 | -80.1 | 0 | 0 | 0 | 119.6 | ||||
| 198 | E | 36.2 | Very low | 37.2 | Very low | 147 Ų | 147 | 129 Ų | 129 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | cis | -174.5 | 152.1 | -18.9 | -137.3 | -166.1 | 102.9 | 0 | 0 | 106.7 | ||||
| 199 | S | 37.3 | Very low | 37.2 | Very low | 90 Ų | 90 | 131.8 Ų | 131.8 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | trans | 69.7 | 99.6 | 143.6 | -65 | 0 | 0 | 0 | 0 | 123 | ||||
| 200 | A | 35.5 | Very low | 37.2 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | 71.5 | 133.5 | 111 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 201 | N | 37.5 | Very low | 37.2 | Very low | 156 Ų | 156 | 124 Ų | 124 | 83% | 0.834 | 72% | 0.717 | S | S | * | * | trans | 72.1 | 150.4 | 147.9 | -64.6 | -20.3 | 0 | 0 | 0 | 118.6 | ||||
| 202 | N | 35.1 | Very low | 37.5 | Very low | 131 Ų | 131 | 127.7 Ų | 127.7 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | cis | -178.9 | 163.4 | -21.6 | -171.2 | 3.7 | 0 | 0 | 0 | 103.5 | ||||
| 203 | T | 38.1 | Very low | 37.3 | Very low | 94 Ų | 94 | 128.3 Ų | 128.3 | 58% | 0.577 | 73% | 0.733 | S | S | * | * | trans | 72.4 | 111.3 | 156.6 | 54.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 204 | N | 35.8 | Very low | 37.6 | Very low | 136 Ų | 136 | 127 Ų | 127 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | 75.3 | 134.2 | 115.9 | -54.8 | -16.2 | 0 | 0 | 0 | 122.7 | |||||
| 205 | N | 34.6 | Very low | 38.3 | Very low | 144 Ų | 144 | 129 Ų | 129 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | trans | 80.4 | 112.4 | 144.7 | -76.5 | -11.2 | 0 | 0 | 0 | 120.2 | ||||
| 206 | S | 35.7 | Very low | 38.5 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | 57.9 | 114.6 | 121.6 | -48.4 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 207 | S | 37.2 | Very low | 38.5 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | 154.1 | 134.3 | 114.9 | -64.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 208 | S | 32 | Very low | 38.8 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | 6.7 | 133 | 152.1 | 63.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 209 | I | 36.9 | Very low | 38.7 | Very low | 175 Ų | 175 | 131.9 Ų | 131.9 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | -166.4 | 155.6 | 115.2 | -141.7 | 158.3 | 0 | 0 | 0 | 111.6 | |||||
| 210 | V | 36.4 | Very low | 38.9 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 67% | 0.673 | 78% | 0.775 | S | S | * | * | trans | -108 | 163 | -163.7 | -167.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 211 | H | 37.7 | Very low | 39 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 65% | 0.653 | 78% | 0.779 | S | S | * | * | trans | 97.4 | 120.9 | 152.9 | -78.3 | -74.1 | 0 | 0 | 0 | 120.3 | F213 | H211-F213 AromaticContact ND1-CD2 3.76Š| ||
| 212 | M | 47.4 | Very low | 39.2 | Very low | 188 Ų | 188 | 132.2 Ų | 132.2 | 93% | 0.926 | 77% | 0.77 | S | S | * | * | -160.7 | 110.8 | 123.5 | -97.2 | -85.7 | 127.1 | 0 | 0 | 109.9 | |||||
| 213 | F | 37.5 | Very low | 39.5 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | trans | -90 | -171.2 | 169.4 | -97.4 | -90.7 | 0 | 0 | 0 | 108.6 | H211 | H211-F213 AromaticContact ND1-CD2 3.76Š| ||
| 214 | P | 44.6 | Very low | 39.7 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | cis | -148.3 | -163.6 | 19.4 | 55.7 | -34.9 | 0 | 0 | 0 | 114.2 | ||||
| 215 | P | 50.2 | Low | 39.9 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | trans | -126 | -179.2 | -138.9 | 31.7 | -6.3 | 0 | 0 | 0 | 115.5 | ||||
| 216 | E | 43.1 | Very low | 40.3 | Very low | 208 Ų | 208 | 135.5 Ų | 135.5 | 97% | 0.972 | 80% | 0.798 | S | S | * | * | trans | -154.8 | 148.8 | 150.2 | -76.6 | -154 | 138.2 | 0 | 0 | 112.5 | ||||
| 217 | A | 39.3 | Very low | 40.8 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | -108.8 | 153.2 | -158.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 218 | V | 46.5 | Very low | 41.3 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -152.5 | 120.2 | 143.4 | -82.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 219 | N | 33.8 | Very low | 42.4 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | -87.5 | 133 | 174.5 | -97.6 | -23.3 | 0 | 0 | 0 | 110.4 | ||||
| 220 | V | 42.4 | Very low | 43.2 | Very low | 147 Ų | 147 | 129.4 Ų | 129.4 | 89% | 0.891 | 76% | 0.755 | S | S | * | * | trans | -139 | 105.9 | 146.9 | -177.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 221 | S | 36.6 | Very low | 44.1 | Very low | 108 Ų | 108 | 126.6 Ų | 126.6 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | trans | -85.7 | 126.8 | 175.8 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 222 | A | 41.5 | Very low | 45 | Very low | 78 Ų | 78 | 124.7 Ų | 124.7 | 65% | 0.645 | 74% | 0.738 | S | S | * | * | trans | -160.9 | 94.8 | 155.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 223 | N | 42.4 | Very low | 45.5 | Very low | 144 Ų | 144 | 119.3 Ų | 119.3 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | trans | 35.6 | 97.4 | 137.2 | 64.4 | -5.1 | 0 | 0 | 0 | 121.3 | ||||
| 224 | V | 43.2 | Very low | 46.6 | Very low | 148 Ų | 148 | 117.4 Ų | 117.4 | 90% | 0.897 | 71% | 0.712 | S | S | * | * | trans | -144.1 | 94.7 | 135.4 | -127.6 | 0 | 0 | 0 | 0 | 110.5 | L226 | V224-L226 PolarHBondContact O-N 3.3Š| ||
| 225 | S | 39.3 | Very low | 47.3 | Very low | 117 Ų | 117 | 115 Ų | 115 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | trans | -85 | 91.7 | 174.3 | -54.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 226 | L | 43.4 | Very low | 47.9 | Very low | 166 Ų | 166 | 116.7 Ų | 116.7 | 87% | 0.869 | 70% | 0.696 | S | S | * | * | trans | -170.1 | 51.5 | 164.1 | -144.1 | 80.5 | 0 | 0 | 0 | 115.5 | V224 | V224-L226 PolarHBondContact O-N 3.3Š| ||
| 227 | D | 45 | Very low | 48.8 | Very low | 100 Ų | 100 | 109.1 Ų | 109.1 | 54% | 0.535 | 67% | 0.669 | S | S | . | * | trans | -160.3 | 23.2 | 163.2 | -136.2 | -3.6 | 0 | 0 | 0 | 119.7 | S229 I230 | D227-S229 PolarHBondContact O-N 3.21Å; D227-I230 VanDerWaalsContact OD1-CB 3.22Å; D227-I230 WeakPolarHBondContact OD1-CB 3.11Å; D227-I230 WeakPolarHBondContact OD1-CD1 3.3Å; D227-I230 WeakPolarHBondContact OD1-CG1 3.18Å | ||
| 228 | S | 48.6 | Very low | 50 | Low | 97 Ų | 97 | 109.1 Ų | 109.1 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -74 | -27 | -176.5 | -49.6 | 0 | 0 | 0 | 0 | 113.6 | D232 | S228-D232 PolarHBondContact O-N 3.4Å |
| 229 | S | 54 | Low | 50.7 | Low | 88 Ų | 88 | 104.5 Ų | 104.5 | 62% | 0.615 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -78.8 | -24.8 | -178 | 54.1 | 0 | 0 | 0 | 0 | 114.2 | D227 S233 | D227-S229 PolarHBondContact O-N 3.21Å; S229-S233 PolarHBondContact O-N 3.02Å; S229-S233 PolarHBondContact O-OG 2.88Å |
| 230 | I | 55.3 | Low | 52.1 | Low | 87 Ų | 87 | 100.3 Ų | 100.3 | 45% | 0.446 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -77 | -39.3 | 175.9 | -57.3 | -171.7 | 0 | 0 | 0 | 109.4 | D227 D232 S233 E234 | D227-I230 VanDerWaalsContact OD1-CB 3.22Å; D227-I230 WeakPolarHBondContact OD1-CB 3.11Å; D227-I230 WeakPolarHBondContact OD1-CD1 3.3Å; D227-I230 WeakPolarHBondContact OD1-CG1 3.18Å; I230-D232 PolarHBondContact O-N 2.85Å; I230-S233 WeakPolarHBondContact O-CB 3.4Å; I230-S233 PolarHBondContact O-N 3.42Å; I230-S233 VanDerWaalsContact O-N 3.15Å; I230-E234 HydrophobicContact CG2-CG 4.29Å; I230-E234 WeakPolarHBondContact O-CB 3.43Å; I230-E234 WeakPolarHBondContact O-CG 3.34Å; I230-E234 PolarHBondContact O-N 3.14Å |
| 231 | A | 54.6 | Low | 53.1 | Low | 52 Ų | 52 | 103.8 Ų | 103.8 | 43% | 0.43 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63.2 | -36.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S235 | A231-S235 VanDerWaalsContact O-CB 3.23Å; A231-S235 WeakPolarHBondContact O-CB 3.37Å; A231-S235 PolarHBondContact O-N 2.65Å; A231-S235 PolarHBondContact O-OG 3.38Å; A231-S235 VanDerWaalsContact O-OG 3.08Å |
| 232 | D | 56.4 | Low | 54.2 | Low | 101 Ų | 101 | 107 Ų | 107 | 54% | 0.54 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -71.8 | -32.3 | 174.6 | -72.6 | -29.8 | 0 | 0 | 0 | 112.5 | S228 I230 S235 Q236 | S228-D232 PolarHBondContact O-N 3.4Å; I230-D232 PolarHBondContact O-N 2.85Å; D232-S235 WeakPolarHBondContact CA-OG 3.21Å; D232-S235 PolarHBondContact O-OG 3.06Å; D232-Q236 WeakPolarHBondContact O-CB 3.47Å; D232-Q236 WeakPolarHBondContact O-CG 3.38Å; D232-Q236 PolarHBondContact O-N 3.24Å |
| 233 | S | 58 | Low | 55.1 | Low | 75 Ų | 75 | 113.5 Ų | 113.5 | 52% | 0.524 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -71.7 | -41.9 | 175.6 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | S229 I230 A237 | S229-S233 PolarHBondContact O-N 3.02Å; S229-S233 PolarHBondContact O-OG 2.88Å; I230-S233 WeakPolarHBondContact O-CB 3.4Å; I230-S233 PolarHBondContact O-N 3.42Å; I230-S233 VanDerWaalsContact O-N 3.15Å; S233-A237 WeakPolarHBondContact O-CB 3.37Å; S233-A237 PolarHBondContact O-N 2.88Å |
| 234 | E | 59.6 | Low | 56 | Low | 126 Ų | 126 | 117.8 Ų | 117.8 | 59% | 0.589 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.2 | -39.9 | 176.1 | -73.5 | -172.4 | 136.6 | 0 | 0 | 111.4 | I230 A237 E238 | I230-E234 HydrophobicContact CG2-CG 4.29Å; I230-E234 WeakPolarHBondContact O-CB 3.43Å; I230-E234 WeakPolarHBondContact O-CG 3.34Å; I230-E234 PolarHBondContact O-N 3.14Å; E234-A237 PolarHBondContact O-N 3.43Å; E234-E238 WeakPolarHBondContact O-CB 3.27Å; E234-E238 PolarHBondContact O-N 3.1Å |
| 235 | S | 60.9 | Low | 57.2 | Low | 65 Ų | 65 | 119.3 Ų | 119.3 | 46% | 0.455 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -69.1 | -34.8 | 176.7 | 70.2 | 0 | 0 | 0 | 0 | 113.1 | A231 D232 A239 | A231-S235 VanDerWaalsContact O-CB 3.23Å; A231-S235 WeakPolarHBondContact O-CB 3.37Å; A231-S235 PolarHBondContact O-N 2.65Å; A231-S235 PolarHBondContact O-OG 3.38Å; A231-S235 VanDerWaalsContact O-OG 3.08Å; D232-S235 WeakPolarHBondContact CA-OG 3.21Å; D232-S235 PolarHBondContact O-OG 3.06Å; S235-A239 WeakPolarHBondContact O-CB 3.37Å; S235-A239 PolarHBondContact O-N 2.81Å |
| 236 | Q | 62.1 | Low | 58.9 | Low | 147 Ų | 147 | 117.5 Ų | 117.5 | 69% | 0.687 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73.3 | -39 | 171.2 | -75.4 | -172 | 15.9 | 0 | 0 | 112.6 | D232 E238 A239 A240 | D232-Q236 WeakPolarHBondContact O-CB 3.47Å; D232-Q236 WeakPolarHBondContact O-CG 3.38Å; D232-Q236 PolarHBondContact O-N 3.24Å; Q236-E238 VanDerWaalsContact C-N 3.27Å; Q236-E238 PolarHBondContact O-N 3.06Å; Q236-A239 PolarHBondContact O-N 2.95Å; Q236-A240 VanDerWaalsContact O-CB 3.28Å; Q236-A240 WeakPolarHBondContact O-CB 3.24Å; Q236-A240 PolarHBondContact O-N 3Å |
| 237 | A | 62.7 | Low | 59.8 | Low | 48 Ų | 48 | 121.5 Ų | 121.5 | 40% | 0.397 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.2 | -35.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S233 E234 A240 R241 | S233-A237 WeakPolarHBondContact O-CB 3.37Å; S233-A237 PolarHBondContact O-N 2.88Å; E234-A237 PolarHBondContact O-N 3.43Å; A237-A240 PolarHBondContact O-N 2.94Å; A237-R241 WeakPolarHBondContact O-CB 2.78Å; A237-R241 VanDerWaalsContact O-CG 3.24Å; A237-R241 WeakPolarHBondContact O-CG 3.41Å; A237-R241 PolarHBondContact O-N 3.27Å |
| 238 | E | 63.9 | Low | 61 | Low | 95 Ų | 95 | 127 Ų | 127 | 44% | 0.444 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -78 | -35.4 | 177.2 | -162.3 | 160.6 | 152.2 | 0 | 0 | 112.1 | E234 Q236 A240 R241 R242 | E234-E238 WeakPolarHBondContact O-CB 3.27Å; E234-E238 PolarHBondContact O-N 3.1Å; Q236-E238 VanDerWaalsContact C-N 3.27Å; Q236-E238 PolarHBondContact O-N 3.06Å; E238-A240 VanDerWaalsContact C-N 3.32Å; E238-A240 PolarHBondContact O-N 3.45Å; E238-R241 CarbonylContact O-C 3.57Å; E238-R241 PolarHBondContact O-N 3.33Å; E238-R242 VanDerWaalsContact O-CB 3.25Å; E238-R242 WeakPolarHBondContact O-CB 3.28Å; E238-R242 WeakPolarHBondContact O-CG 3.28Å; E238-R242 PolarHBondContact O-N 3.45Å; E238-R242 IonicContact OE1-CZ 2.78Å; E238-R242 IonicContact OE1-NE 3.97Å; E238-R242 IonicContact OE1-NH2 3.6Å; E238-R242 PolarHBondContact OE1-NH2 3.38Å |
| 239 | A | 61.9 | Low | 61.7 | Low | 55 Ų | 55 | 126.2 Ų | 126.2 | 46% | 0.455 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.2 | -35.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S235 Q236 R242 R243 | S235-A239 WeakPolarHBondContact O-CB 3.37Å; S235-A239 PolarHBondContact O-N 2.81Å; Q236-A239 PolarHBondContact O-N 2.95Å; A239-R242 PolarHBondContact O-N 3Å; A239-R243 PolarHBondContact O-N 3.46Å; A239-R243 VanDerWaalsContact O-N 3.12Å |
| 240 | A | 63.3 | Low | 62 | Low | 62 Ų | 62 | 129.3 Ų | 129.3 | 51% | 0.512 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -70.4 | -36.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q236 A237 E238 R243 | Q236-A240 VanDerWaalsContact O-CB 3.28Å; Q236-A240 WeakPolarHBondContact O-CB 3.24Å; Q236-A240 PolarHBondContact O-N 3Å; A237-A240 PolarHBondContact O-N 2.94Å; E238-A240 VanDerWaalsContact C-N 3.32Å; E238-A240 PolarHBondContact O-N 3.45Å; A240-R243 PolarHBondContact O-N 3.25Å |
| 241 | R | 62.3 | Low | 62 | Low | 220 Ų | 220 | 132.5 Ų | 132.5 | 83% | 0.83 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.9 | -30.1 | 171 | -72.9 | 173.2 | -178 | -141.4 | 2.8 | 112.5 | A237 E238 | A237-R241 WeakPolarHBondContact O-CB 2.78Å; A237-R241 VanDerWaalsContact O-CG 3.24Å; A237-R241 WeakPolarHBondContact O-CG 3.41Å; A237-R241 PolarHBondContact O-N 3.27Å; E238-R241 CarbonylContact O-C 3.57Å; E238-R241 PolarHBondContact O-N 3.33Å |
| 242 | R | 59.7 | Low | 62.3 | Low | 176 Ų | 176 | 133.9 Ų | 133.9 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -9.2 | 175 | -73.3 | 173.1 | -170.9 | -169 | 7 | 113.8 | E238 A239 R244 | E238-R242 VanDerWaalsContact O-CB 3.25Å; E238-R242 WeakPolarHBondContact O-CB 3.28Å; E238-R242 WeakPolarHBondContact O-CG 3.28Å; E238-R242 PolarHBondContact O-N 3.45Å; E238-R242 IonicContact OE1-CZ 2.78Å; E238-R242 IonicContact OE1-NE 3.97Å; E238-R242 IonicContact OE1-NH2 3.6Å; E238-R242 PolarHBondContact OE1-NH2 3.38Å; A239-R242 PolarHBondContact O-N 3Å; R242-R244 PolarHBondContact O-N 3.09Å |
| 243 | R | 60 | Low | 62.5 | Low | 214 Ų | 214 | 134.7 Ų | 134.7 | 81% | 0.808 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -65.6 | 88.9 | 165.5 | -72.6 | -172.6 | 175.2 | -154 | -1.6 | 108 | A239 A240 K245 | A239-R243 PolarHBondContact O-N 3.46Å; A239-R243 VanDerWaalsContact O-N 3.12Å; A240-R243 PolarHBondContact O-N 3.25Å; R243-K245 PolarHBondContact O-N 2.83Å |
| 244 | R | 61.6 | Low | 62.7 | Low | 234 Ų | 234 | 137.4 Ų | 137.4 | 88% | 0.883 | 65% | 0.654 | S | S | * | * | trans | -41.9 | 130.8 | 178.3 | -70.3 | 177.6 | 170.7 | 164.4 | -3.3 | 109.2 | R242 S246 | R242-R244 PolarHBondContact O-N 3.09Å; R244-S246 PolarHBondContact O-N 3.43Å | ||
| 245 | K | 68.9 | Low | 62.8 | Low | 180 Ų | 180 | 133.9 Ų | 133.9 | 78% | 0.783 | 65% | 0.647 | S | S | * | * | trans | -44.6 | 117.6 | 170.2 | -165.4 | 90.9 | 167.7 | -157.3 | 0 | 107.3 | R243 R247 | R243-K245 PolarHBondContact O-N 2.83Å; K245-R247 PolarHBondContact O-N 2.85Å | ||
| 246 | S | 74.7 | Confident | 62.8 | Low | 80 Ų | 80 | 138.4 Ų | 138.4 | 56% | 0.559 | 66% | 0.658 | S | S | * | * | trans | -53.8 | 130 | -179.5 | 170.6 | 0 | 0 | 0 | 0 | 108.7 | R244 W248 | R244-S246 PolarHBondContact O-N 3.43Å; S246-W248 VanDerWaalsContact CB-O 3.28Å; S246-W248 WeakPolarHBondContact CB-O 3.26Å; S246-W248 PolarHBondContact O-N 3Å; S246-W248 PolarHBondContact OG-N 3.22Å; S246-W248 VanDerWaalsContact OG-N 3.11Å; S246-W248 PolarHBondContact OG-O 2.93Å | ||
| 247 | R | 62.2 | Low | 62.9 | Low | 249 Ų | 249 | 131.8 Ų | 131.8 | 94% | 0.94 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -64.5 | -18.1 | 172.8 | -64.8 | 179.6 | 79.5 | 160.9 | 3 | 111.5 | K245 | K245-R247 PolarHBondContact O-N 2.85Š|
| 248 | W | 70.1 | Confident | 63 | Low | 216 Ų | 216 | 134.3 Ų | 134.3 | 82% | 0.818 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -98.7 | 143.7 | 174.8 | -54.8 | 94.9 | 0 | 0 | 0 | 110.3 | S246 | S246-W248 VanDerWaalsContact CB-O 3.28Å; S246-W248 WeakPolarHBondContact CB-O 3.26Å; S246-W248 PolarHBondContact O-N 3Å; S246-W248 PolarHBondContact OG-N 3.22Å; S246-W248 VanDerWaalsContact OG-N 3.11Å; S246-W248 PolarHBondContact OG-O 2.93Å |
| 249 | S | 62.8 | Low | 63.1 | Low | 80 Ų | 80 | 133.7 Ų | 133.7 | 56% | 0.559 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 158.7 | 177.7 | -63.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 250 | K | 62.2 | Low | 63.5 | Low | 154 Ų | 154 | 131.6 Ų | 131.6 | 67% | 0.67 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 149.6 | 176.6 | -70.4 | 176 | -179.3 | 173.4 | 0 | 109.1 | G252 E253 | K250-G252 PolarHBondContact O-N 3.4Å; K250-E253 HydrophobicContact CB-CG 4.46Å; K250-E253 PolarHBondContact N-OE2 3.33Å; K250-E253 WeakPolarHBondContact O-CA 3.36Å; K250-E253 PolarHBondContact O-N 3.11Å |
| 251 | E | 53.9 | Low | 64 | Low | 153 Ų | 153 | 132.7 Ų | 132.7 | 72% | 0.715 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -23.3 | -174.2 | -173.4 | 140.9 | -128.7 | 0 | 0 | 114.2 | K254 | E251-K254 HydrophobicContact CG-CD 4.46Å; E251-K254 IonicContact OE1-NZ 3.35Å; E251-K254 PolarHBondContact OE1-NZ 3.34Å |
| 252 | G | 61 | Low | 64.5 | Low | 82 Ų | 82 | 127.5 Ų | 127.5 | 85% | 0.845 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -5.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | K250 | K250-G252 PolarHBondContact O-N 3.4Š|
| 253 | E | 61.5 | Low | 65.3 | Low | 118 Ų | 118 | 122.7 Ų | 122.7 | 55% | 0.551 | 63% | 0.632 | S | S | * | * | trans | -102.7 | 5.8 | 176.2 | -71.1 | 167.7 | 178.4 | 0 | 0 | 111.7 | K250 A255 | K250-E253 HydrophobicContact CB-CG 4.46Å; K250-E253 PolarHBondContact N-OE2 3.33Å; K250-E253 WeakPolarHBondContact O-CA 3.36Å; K250-E253 PolarHBondContact O-N 3.11Å; E253-A255 PolarHBondContact O-N 2.63Å | ||
| 254 | K | 61.9 | Low | 66.2 | Low | 132 Ų | 132 | 115.8 Ų | 115.8 | 57% | 0.574 | 61% | 0.611 | S | S | * | * | trans | -61.1 | 100.8 | 173.4 | -70.6 | 174.2 | 178.6 | 173.8 | 0 | 108.4 | E251 F256 | E251-K254 HydrophobicContact CG-CD 4.46Å; E251-K254 IonicContact OE1-NZ 3.35Å; E251-K254 PolarHBondContact OE1-NZ 3.34Å; K254-F256 VanDerWaalsContact C-N 3.33Å; K254-F256 PolarHBondContact O-N 3.06Å | ||
| 255 | A | 61 | Low | 66.9 | Low | 52 Ų | 52 | 107.5 Ų | 107.5 | 43% | 0.43 | 59% | 0.588 | S | S | . | * | trans | -59.2 | 90.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | E253 V257 | E253-A255 PolarHBondContact O-N 2.63Å; A255-V257 PolarHBondContact O-N 2.97Å | ||
| 256 | F | 61.6 | Low | 67.4 | Low | 160 Ų | 160 | 108 Ų | 108 | 70% | 0.702 | 60% | 0.595 | S | S | * | * | trans | -79.1 | 115.8 | 168.8 | -164.2 | -102.6 | 0 | 0 | 0 | 107.6 | K254 P258 R287 | K254-F256 VanDerWaalsContact C-N 3.33Å; K254-F256 PolarHBondContact O-N 3.06Å; F256-P258 VanDerWaalsContact O-CD 3.26Å; F256-P258 WeakPolarHBondContact O-CD 3.17Å; F256-R287 PolarHBondContact O-NH1 2.9Å; F256-R287 VanDerWaalsContact O-NH1 3.07Å | ||
| 257 | V | 63.9 | Low | 67.7 | Low | 7 Ų | 7 | 110.9 Ų | 110.9 | 4% | 0.042 | 60% | 0.604 | C | S | . | * | trans | -78.3 | 112.8 | 168.6 | -178 | 0 | 0 | 0 | 0 | 106.4 | A255 G259 M260 L280 E283 D284 | A255-V257 PolarHBondContact O-N 2.97Å; V257-G259 PolarHBondContact O-N 3.25Å; V257-G259 VanDerWaalsContact O-N 3.11Å; V257-M260 HydrophobicContact CB-CB 4.39Å; V257-M260 HydrophobicContact CG1-CB 4.03Å; V257-M260 PolarHBondContact O-N 3.45Å; V257-L280 HydrophobicContact CB-CD1 4.3Å; V257-L280 HydrophobicContact CG2-CD1 3.92Å; V257-E283 HydrophobicContact CG1-CB 3.78Å; V257-E283 WeakPolarHBondContact CG1-OE2 3.45Å; V257-D284 HydrophobicContact CG2-CB 4.39Å; V257-D284 VanDerWaalsContact CG2-CG 3.48Å; V257-D284 WeakPolarHBondContact CG2-OD1 3.15Å | ||
| 258 | P | 65.2 | Low | 68.5 | Low | 102 Ų | 102 | 101 Ų | 101 | 66% | 0.662 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 118.2 | 177.6 | -16.8 | 31.5 | 0 | 0 | 0 | 109.1 | F256 | F256-P258 VanDerWaalsContact O-CD 3.26Å; F256-P258 WeakPolarHBondContact O-CD 3.17Å |
| 259 | G | 66.5 | Low | 69.4 | Low | 81 Ų | 81 | 94.3 Ų | 94.3 | 84% | 0.835 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.2 | -5.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | V257 | V257-G259 PolarHBondContact O-N 3.25Å; V257-G259 VanDerWaalsContact O-N 3.11Å |
| 260 | M | 70.3 | Confident | 70.7 | Confident | 12 Ų | 12 | 96.4 Ų | 96.4 | 6% | 0.059 | 55% | 0.554 | C | S | . | * | trans | -127.1 | 111 | 178.6 | -163.5 | 172.8 | -173.8 | 0 | 0 | 111.5 | V257 Y276 Q279 L280 E283 | V257-M260 HydrophobicContact CB-CB 4.39Å; V257-M260 HydrophobicContact CG1-CB 4.03Å; V257-M260 PolarHBondContact O-N 3.45Å; M260-Y276 HydrophobicContact CE-CD1 3.92Å; M260-Y276 HydrophobicContact CE-CD2 3.45Å; M260-Y276 VanDerWaalsContact CE-CD2 3.45Å; M260-Y276 HydrophobicContact CE-CE1 3.78Å; M260-Y276 HydrophobicContact CE-CE2 3.28Å; M260-Y276 HydrophobicContact CE-CG 3.78Å; M260-Y276 VanDerWaalsContact CE-CZ 3.45Å; M260-Y276 WeakPolarHBondContact CE-O 3.31Å; M260-Y276 HydrophobicContact CG-CE2 4.28Å; M260-Q279 HydrophobicContact CE-CB 4Å; M260-Q279 HydrophobicContact CE-CG 4.04Å; M260-Q279 HydrophobicContact SD-CG 4.2Å; M260-L280 HydrophobicContact CB-CD1 4.06Å; M260-L280 HydrophobicContact CE-CB 3.76Å; M260-L280 HydrophobicContact CE-CD1 4.46Å; M260-L280 HydrophobicContact CG-CD1 3.8Å; M260-L280 WeakPolarHBondContact SD-CA 3.32Å; M260-L280 HydrophobicContact SD-CB 3.66Å; M260-L280 HydrophobicContact SD-CD1 3.56Å; M260-L280 VanDerWaalsContact SD-CD1 3.56Å; M260-L280 HydrophobicContact SD-CG 4.23Å; M260-E283 WeakPolarHBondContact CB-OE2 3.47Å | ||
| 261 | P | 72.4 | Confident | 71.9 | Confident | 84 Ų | 84 | 95.9 Ų | 95.9 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | trans | -62 | 137.8 | 177.7 | -22 | 32.7 | 0 | 0 | 0 | 112.1 | A263 Y276 | P261-A263 PolarHBondContact O-N 2.75Å; P261-Y276 PolarHBondContact O-OH 3.44Å | ||
| 262 | T | 72.5 | Confident | 73.5 | Confident | 112 Ų | 112 | 92.8 Ų | 92.8 | 69% | 0.687 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -77.3 | -7.3 | 174.5 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 263 | A | 78 | Confident | 74.9 | Confident | 74 Ų | 74 | 92.5 Ų | 92.5 | 61% | 0.612 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -89.8 | 118.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | P261 | P261-A263 PolarHBondContact O-N 2.75Š|
| 264 | L | 77.6 | Confident | 76.3 | Confident | 69 Ų | 69 | 91.4 Ų | 91.4 | 36% | 0.361 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 131.1 | 173.3 | -75 | 130.6 | 0 | 0 | 0 | 109.9 | Q273 Y276 L277 | L264-Q273 HydrophobicContact CD2-CB 4.27Å; L264-Q273 HydrophobicContact CD2-CG 4.34Å; L264-Y276 HydrophobicContact CD2-CD1 3.41Å; L264-Y276 VanDerWaalsContact CD2-CD1 3.41Å; L264-Y276 HydrophobicContact CD2-CE1 4.18Å; L264-Y276 HydrophobicContact CD2-CG 3.96Å; L264-Y276 HydrophobicContact CG-CD1 3.84Å; L264-Y276 HydrophobicContact CG-CE1 4.12Å; L264-L277 HydrophobicContact CD1-CD2 4.1Å |
| 265 | P | 77 | Confident | 77.7 | Confident | 60 Ų | 60 | 86.7 Ų | 86.7 | 39% | 0.39 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 141.1 | 170.1 | 30.3 | -34.9 | 0 | 0 | 0 | 110.4 | N267 L268 | P265-N267 VanDerWaalsContact C-N 3.28Å; P265-N267 PolarHBondContact O-N 3.04Å; P265-L268 HydrophobicContact CG-CD1 4.14Å |
| 266 | M | 78.5 | Confident | 79 | Confident | 190 Ų | 190 | 86.2 Ų | 86.2 | 94% | 0.936 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -14.7 | -171.7 | -64.8 | 173.3 | 65.2 | 0 | 0 | 114.6 | L268 | M266-L268 VanDerWaalsContact C-N 3.34Å; M266-L268 PolarHBondContact O-N 3.31Å |
| 267 | N | 80.8 | Confident | 80.4 | Confident | 141 Ų | 141 | 82.3 Ų | 82.3 | 75% | 0.754 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 24.6 | -173.6 | 65.2 | -31.9 | 0 | 0 | 0 | 114 | P265 | P265-N267 VanDerWaalsContact C-N 3.28Å; P265-N267 PolarHBondContact O-N 3.04Å |
| 268 | L | 80.8 | Confident | 81.8 | Confident | 43 Ų | 43 | 82.9 Ų | 82.9 | 23% | 0.225 | 47% | 0.466 | C | S | . | . | trans | -103 | 135.1 | -175 | -130.8 | 72.8 | 0 | 0 | 0 | 110.7 | P265 M266 Q272 Q273 | P265-L268 HydrophobicContact CG-CD1 4.14Å; M266-L268 VanDerWaalsContact C-N 3.34Å; M266-L268 PolarHBondContact O-N 3.31Å; L268-Q272 HydrophobicContact CB-CB 4.35Å; L268-Q272 HydrophobicContact CD1-CB 4.38Å; L268-Q272 HydrophobicContact CD2-CB 3.66Å; L268-Q272 WeakPolarHBondContact CD2-O 3.44Å; L268-Q272 HydrophobicContact CG-CB 3.46Å; L268-Q272 VanDerWaalsContact CG-CB 3.46Å; L268-Q272 HydrophobicContact CG-CG 4.42Å; L268-Q273 HydrophobicContact CB-CG 3.9Å; L268-Q273 HydrophobicContact CD2-CG 4.38Å; L268-Q273 PolarHBondContact O-NE2 3.37Å | ||
| 269 | T | 88.4 | Confident | 83 | Confident | 75 Ų | 75 | 81.5 Ų | 81.5 | 46% | 0.46 | 45% | 0.451 | S | S | . | . | trans | -63.2 | 156.8 | 173.9 | 65.8 | 0 | 0 | 0 | 0 | 110.5 | E271 Q272 Q273 | T269-E271 PolarHBondContact O-N 3.38Å; T269-Q272 VanDerWaalsContact N-OE1 3.08Å; T269-Q272 CarbonylContact O-C 3.58Å; T269-Q272 PolarHBondContact O-N 3.38Å; T269-Q272 WeakPolarHBondContact OG1-CB 2.99Å; T269-Q272 WeakPolarHBondContact OG1-CG 3.41Å; T269-Q272 PolarHBondContact OG1-N 3.49Å; T269-Q273 WeakPolarHBondContact O-CG 3.26Å; T269-Q273 PolarHBondContact O-N 3.28Å | ||
| 270 | E | 89 | Confident | 84.1 | Confident | 124 Ų | 124 | 78.8 Ų | 78.8 | 58% | 0.579 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -56.1 | -38.8 | -179.7 | -166.4 | -168.8 | 150.9 | 0 | 0 | 112.1 | Q273 K274 | E270-Q273 WeakPolarHBondContact O-CB 3.42Å; E270-Q273 PolarHBondContact O-N 3.08Å; E270-K274 WeakPolarHBondContact O-CG 3.44Å; E270-K274 PolarHBondContact O-N 3.21Å; E270-K274 WeakPolarHBondContact OE1-CE 3.47Å; E270-K274 IonicContact OE1-NZ 3.67Å; E270-K274 PolarHBondContact OE1-NZ 3.42Å |
| 271 | E | 88.1 | Confident | 85 | Confident | 143 Ų | 143 | 82.5 Ų | 82.5 | 67% | 0.668 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.4 | -46.5 | 173.7 | -65.2 | 178.2 | 175.6 | 0 | 0 | 111.9 | T269 Q273 K274 L275 | T269-E271 PolarHBondContact O-N 3.38Å; E271-Q273 VanDerWaalsContact C-N 3.31Å; E271-Q273 PolarHBondContact O-N 3.25Å; E271-K274 WeakPolarHBondContact O-CB 3.31Å; E271-K274 PolarHBondContact O-N 3.08Å; E271-L275 VanDerWaalsContact O-CG 3.3Å; E271-L275 WeakPolarHBondContact O-CG 3.34Å; E271-L275 PolarHBondContact O-N 2.88Å |
| 272 | Q | 87.8 | Confident | 86 | Confident | 88 Ų | 88 | 78.5 Ų | 78.5 | 41% | 0.411 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.2 | -33.4 | 177.1 | -69.5 | 170.5 | -16.7 | 0 | 0 | 112.1 | L268 T269 L275 Y276 | L268-Q272 HydrophobicContact CB-CB 4.35Å; L268-Q272 HydrophobicContact CD1-CB 4.38Å; L268-Q272 HydrophobicContact CD2-CB 3.66Å; L268-Q272 WeakPolarHBondContact CD2-O 3.44Å; L268-Q272 HydrophobicContact CG-CB 3.46Å; L268-Q272 VanDerWaalsContact CG-CB 3.46Å; L268-Q272 HydrophobicContact CG-CG 4.42Å; T269-Q272 VanDerWaalsContact N-OE1 3.08Å; T269-Q272 CarbonylContact O-C 3.58Å; T269-Q272 PolarHBondContact O-N 3.38Å; T269-Q272 WeakPolarHBondContact OG1-CB 2.99Å; T269-Q272 WeakPolarHBondContact OG1-CG 3.41Å; T269-Q272 PolarHBondContact OG1-N 3.49Å; Q272-L275 PolarHBondContact O-N 2.85Å; Q272-Y276 WeakPolarHBondContact O-CB 3.37Å; Q272-Y276 PolarHBondContact O-N 3.42Å |
| 273 | Q | 89.6 | Confident | 86.8 | Confident | 75 Ų | 75 | 76 Ų | 76 | 35% | 0.35 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 172.9 | -65.7 | 175.3 | 19.1 | 0 | 0 | 110.7 | L264 L268 T269 E270 E271 Y276 L277 | L264-Q273 HydrophobicContact CD2-CB 4.27Å; L264-Q273 HydrophobicContact CD2-CG 4.34Å; L268-Q273 HydrophobicContact CB-CG 3.9Å; L268-Q273 HydrophobicContact CD2-CG 4.38Å; L268-Q273 PolarHBondContact O-NE2 3.37Å; T269-Q273 WeakPolarHBondContact O-CG 3.26Å; T269-Q273 PolarHBondContact O-N 3.28Å; E270-Q273 WeakPolarHBondContact O-CB 3.42Å; E270-Q273 PolarHBondContact O-N 3.08Å; E271-Q273 VanDerWaalsContact C-N 3.31Å; E271-Q273 PolarHBondContact O-N 3.25Å; Q273-Y276 PolarHBondContact O-N 3.16Å; Q273-L277 WeakPolarHBondContact O-CB 3.16Å; Q273-L277 VanDerWaalsContact O-CG 3.29Å; Q273-L277 WeakPolarHBondContact O-CG 3.15Å; Q273-L277 PolarHBondContact O-N 3.3Å |
| 274 | K | 91 | Very high | 87.4 | Confident | 95 Ų | 95 | 74.2 Ų | 74.2 | 41% | 0.413 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 174.6 | -72.5 | 171.7 | -175.6 | 167 | 0 | 111.3 | E270 E271 L277 L278 M343 | E270-K274 WeakPolarHBondContact O-CG 3.44Å; E270-K274 PolarHBondContact O-N 3.21Å; E270-K274 WeakPolarHBondContact OE1-CE 3.47Å; E270-K274 IonicContact OE1-NZ 3.67Å; E270-K274 PolarHBondContact OE1-NZ 3.42Å; E271-K274 WeakPolarHBondContact O-CB 3.31Å; E271-K274 PolarHBondContact O-N 3.08Å; K274-L277 PolarHBondContact O-N 2.07Å; K274-L278 WeakPolarHBondContact O-CB 3.31Å; K274-L278 WeakPolarHBondContact O-CG 3.29Å; K274-L278 PolarHBondContact O-N 2.84Å; K274-M343 HydrophobicContact CB-CE 4.35Å; K274-M343 HydrophobicContact CB-SD 4.32Å |
| 275 | L | 91 | Very high | 88 | Confident | 34 Ų | 34 | 71.6 Ų | 71.6 | 18% | 0.178 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 174.4 | -70.5 | 172.1 | 0 | 0 | 0 | 111.3 | E271 Q272 L277 L278 Q279 M340 M343 N344 | E271-L275 VanDerWaalsContact O-CG 3.3Å; E271-L275 WeakPolarHBondContact O-CG 3.34Å; E271-L275 PolarHBondContact O-N 2.88Å; Q272-L275 PolarHBondContact O-N 2.85Å; L275-L277 PolarHBondContact O-N 3.37Å; L275-L278 PolarHBondContact O-N 2.84Å; L275-Q279 WeakPolarHBondContact O-CB 3.43Å; L275-Q279 PolarHBondContact O-N 3.09Å; L275-M340 HydrophobicContact CB-SD 4.44Å; L275-M340 HydrophobicContact CD2-SD 3.43Å; L275-M340 WeakPolarHBondContact CD2-SD 3.27Å; L275-M340 WeakPolarHBondContact O-CE 3.43Å; L275-M343 HydrophobicContact CD2-CB 3.7Å; L275-M343 HydrophobicContact CD2-CE 4.24Å; L275-N344 HydrophobicContact CD1-CB 4.19Å; L275-N344 HydrophobicContact CD2-CB 3.65Å |
| 276 | Y | 89.5 | Confident | 88.6 | Confident | 42 Ų | 42 | 69.1 Ų | 69.1 | 17% | 0.165 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60 | -46.6 | 177.3 | -171.3 | -96.6 | 0 | 0 | 0 | 112.2 | M260 P261 L264 Q272 Q273 Q279 L280 | M260-Y276 HydrophobicContact CE-CD1 3.92Å; M260-Y276 HydrophobicContact CE-CD2 3.45Å; M260-Y276 VanDerWaalsContact CE-CD2 3.45Å; M260-Y276 HydrophobicContact CE-CE1 3.78Å; M260-Y276 HydrophobicContact CE-CE2 3.28Å; M260-Y276 HydrophobicContact CE-CG 3.78Å; M260-Y276 VanDerWaalsContact CE-CZ 3.45Å; M260-Y276 WeakPolarHBondContact CE-O 3.31Å; M260-Y276 HydrophobicContact CG-CE2 4.28Å; P261-Y276 PolarHBondContact O-OH 3.44Å; L264-Y276 HydrophobicContact CD2-CD1 3.41Å; L264-Y276 VanDerWaalsContact CD2-CD1 3.41Å; L264-Y276 HydrophobicContact CD2-CE1 4.18Å; L264-Y276 HydrophobicContact CD2-CG 3.96Å; L264-Y276 HydrophobicContact CG-CD1 3.84Å; L264-Y276 HydrophobicContact CG-CE1 4.12Å; Q272-Y276 WeakPolarHBondContact O-CB 3.37Å; Q272-Y276 PolarHBondContact O-N 3.42Å; Q273-Y276 PolarHBondContact O-N 3.16Å; Y276-Q279 PolarHBondContact O-N 3.19Å; Y276-L280 PolarHBondContact O-N 3.24Å |
| 277 | L | 91 | Very high | 89 | Confident | 78 Ų | 78 | 62.2 Ų | 62.2 | 41% | 0.408 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 178.8 | -72.9 | 173.7 | 0 | 0 | 0 | 112.1 | L264 Q273 K274 L275 Q279 L280 Q281 | L264-L277 HydrophobicContact CD1-CD2 4.1Å; Q273-L277 WeakPolarHBondContact O-CB 3.16Å; Q273-L277 VanDerWaalsContact O-CG 3.29Å; Q273-L277 WeakPolarHBondContact O-CG 3.15Å; Q273-L277 PolarHBondContact O-N 3.3Å; K274-L277 PolarHBondContact O-N 2.07Å; L275-L277 PolarHBondContact O-N 3.37Å; L277-Q279 VanDerWaalsContact C-N 3.33Å; L277-Q279 PolarHBondContact O-N 3.2Å; L277-L280 PolarHBondContact O-N 3.13Å; L277-Q281 VanDerWaalsContact O-CG 3.3Å; L277-Q281 WeakPolarHBondContact O-CG 3.41Å; L277-Q281 PolarHBondContact O-N 3.27Å |
| 278 | L | 92 | Very high | 89.2 | Confident | 18 Ų | 18 | 59.2 Ų | 59.2 | 9% | 0.094 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 175.5 | -75.5 | -173.8 | 0 | 0 | 0 | 111.7 | K274 L275 Q281 I282 L336 K339 M340 M343 | K274-L278 WeakPolarHBondContact O-CB 3.31Å; K274-L278 WeakPolarHBondContact O-CG 3.29Å; K274-L278 PolarHBondContact O-N 2.84Å; L275-L278 PolarHBondContact O-N 2.84Å; L278-Q281 PolarHBondContact O-N 3.04Å; L278-I282 VanDerWaalsContact O-CG1 3.25Å; L278-I282 WeakPolarHBondContact O-CG1 3.31Å; L278-I282 PolarHBondContact O-N 3.29Å; L278-L336 HydrophobicContact CD2-CD2 3.71Å; L278-K339 HydrophobicContact CD1-CB 3.91Å; L278-M340 HydrophobicContact CB-CE 3.47Å; L278-M340 VanDerWaalsContact CB-CE 3.47Å; L278-M340 HydrophobicContact CB-SD 4.41Å; L278-M340 HydrophobicContact CD1-CB 4.41Å; L278-M343 HydrophobicContact CD1-CE 3.08Å; L278-M343 HydrophobicContact CG-CE 4.16Å |
| 279 | Q | 90.3 | Very high | 89.6 | Confident | 74 Ų | 74 | 58 Ų | 58 | 35% | 0.346 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 179.4 | 178.9 | 173.1 | -12.1 | 0 | 0 | 110.5 | M260 L275 Y276 L277 Q281 I282 E283 M340 | M260-Q279 HydrophobicContact CE-CB 4Å; M260-Q279 HydrophobicContact CE-CG 4.04Å; M260-Q279 HydrophobicContact SD-CG 4.2Å; L275-Q279 WeakPolarHBondContact O-CB 3.43Å; L275-Q279 PolarHBondContact O-N 3.09Å; Y276-Q279 PolarHBondContact O-N 3.19Å; L277-Q279 VanDerWaalsContact C-N 3.33Å; L277-Q279 PolarHBondContact O-N 3.2Å; Q279-Q281 VanDerWaalsContact C-N 3.31Å; Q279-Q281 PolarHBondContact O-N 3.46Å; Q279-I282 PolarHBondContact O-N 2.97Å; Q279-E283 HydrophobicContact CG-CG 4.5Å; Q279-E283 WeakPolarHBondContact CG-OE1 3.42Å; Q279-E283 PolarHBondContact NE2-OE1 3.41Å; Q279-E283 WeakPolarHBondContact O-CG 3.21Å; Q279-E283 PolarHBondContact O-N 3.13Å; Q279-M340 HydrophobicContact CB-CE 3.62Å |
| 280 | L | 89.9 | Confident | 89.5 | Confident | 24 Ų | 24 | 62.4 Ų | 62.4 | 13% | 0.126 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.8 | -44.6 | 175.6 | -174.7 | 68.1 | 0 | 0 | 0 | 111.6 | V257 M260 Y276 L277 E283 D284 | V257-L280 HydrophobicContact CB-CD1 4.3Å; V257-L280 HydrophobicContact CG2-CD1 3.92Å; M260-L280 HydrophobicContact CB-CD1 4.06Å; M260-L280 HydrophobicContact CE-CB 3.76Å; M260-L280 HydrophobicContact CE-CD1 4.46Å; M260-L280 HydrophobicContact CG-CD1 3.8Å; M260-L280 WeakPolarHBondContact SD-CA 3.32Å; M260-L280 HydrophobicContact SD-CB 3.66Å; M260-L280 HydrophobicContact SD-CD1 3.56Å; M260-L280 VanDerWaalsContact SD-CD1 3.56Å; M260-L280 HydrophobicContact SD-CG 4.23Å; Y276-L280 PolarHBondContact O-N 3.24Å; L277-L280 PolarHBondContact O-N 3.13Å; L280-E283 PolarHBondContact O-N 2.77Å; L280-D284 WeakPolarHBondContact O-CB 3.38Å; L280-D284 PolarHBondContact O-N 3.17Å |
| 281 | Q | 90.8 | Very high | 89.2 | Confident | 89 Ų | 89 | 61 Ų | 61 | 42% | 0.416 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 177.1 | -70.3 | 175.4 | -14.1 | 0 | 0 | 112.5 | L277 L278 Q279 D284 I285 L336 | L277-Q281 VanDerWaalsContact O-CG 3.3Å; L277-Q281 WeakPolarHBondContact O-CG 3.41Å; L277-Q281 PolarHBondContact O-N 3.27Å; L278-Q281 PolarHBondContact O-N 3.04Å; Q279-Q281 VanDerWaalsContact C-N 3.31Å; Q279-Q281 PolarHBondContact O-N 3.46Å; Q281-D284 PolarHBondContact O-N 3.16Å; Q281-I285 VanDerWaalsContact O-CG1 3.28Å; Q281-I285 WeakPolarHBondContact O-CG1 3.07Å; Q281-I285 PolarHBondContact O-N 3.42Å; Q281-L336 HydrophobicContact CB-CD1 3.59Å |
| 282 | I | 91.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 177.1 | -69 | 163.7 | 0 | 0 | 0 | 110.6 | L278 Q279 I285 T286 R333 L336 I337 M340 P350 | L278-I282 VanDerWaalsContact O-CG1 3.25Å; L278-I282 WeakPolarHBondContact O-CG1 3.31Å; L278-I282 PolarHBondContact O-N 3.29Å; Q279-I282 PolarHBondContact O-N 2.97Å; I282-I285 PolarHBondContact O-N 3.27Å; I282-T286 VanDerWaalsContact O-CB 3.27Å; I282-T286 WeakPolarHBondContact O-CB 3.22Å; I282-T286 PolarHBondContact O-N 3.49Å; I282-T286 PolarHBondContact O-OG1 3.12Å; I282-R333 HydrophobicContact CG2-CG 4.44Å; I282-L336 HydrophobicContact CD1-CB 4.13Å; I282-L336 HydrophobicContact CG1-CB 3.65Å; I282-L336 HydrophobicContact CG1-CD1 4.29Å; I282-I337 HydrophobicContact CD1-CG1 3.88Å; I282-I337 HydrophobicContact CG1-CG1 4.21Å; I282-I337 HydrophobicContact CG2-CD1 4.49Å; I282-I337 HydrophobicContact CG2-CG1 4.24Å; I282-M340 HydrophobicContact CD1-CB 4.14Å; I282-M340 HydrophobicContact CD1-CE 3.97Å; I282-P350 HydrophobicContact CG2-CG 3.94Å |
| 283 | E | 89.7 | Confident | 88.4 | Confident | 58 Ų | 58 | 57.1 Ų | 57.1 | 27% | 0.271 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.2 | -40.3 | 177.7 | -70.9 | 178.6 | -165.4 | 0 | 0 | 111.8 | V257 M260 Q279 L280 T286 R287 | V257-E283 HydrophobicContact CG1-CB 3.78Å; V257-E283 WeakPolarHBondContact CG1-OE2 3.45Å; M260-E283 WeakPolarHBondContact CB-OE2 3.47Å; Q279-E283 HydrophobicContact CG-CG 4.5Å; Q279-E283 WeakPolarHBondContact CG-OE1 3.42Å; Q279-E283 PolarHBondContact NE2-OE1 3.41Å; Q279-E283 WeakPolarHBondContact O-CG 3.21Å; Q279-E283 PolarHBondContact O-N 3.13Å; L280-E283 PolarHBondContact O-N 2.77Å; E283-T286 PolarHBondContact O-N 3.07Å; E283-R287 WeakPolarHBondContact O-CB 3.35Å; E283-R287 PolarHBondContact O-N 3.4Å |
| 284 | D | 89.8 | Confident | 87.7 | Confident | 38 Ų | 38 | 54.7 Ų | 54.7 | 20% | 0.203 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59 | -47 | 173.6 | -96.4 | -33.9 | 0 | 0 | 0 | 112.4 | V257 L280 Q281 R287 K288 | V257-D284 HydrophobicContact CG2-CB 4.39Å; V257-D284 VanDerWaalsContact CG2-CG 3.48Å; V257-D284 WeakPolarHBondContact CG2-OD1 3.15Å; L280-D284 WeakPolarHBondContact O-CB 3.38Å; L280-D284 PolarHBondContact O-N 3.17Å; Q281-D284 PolarHBondContact O-N 3.16Å; D284-R287 PolarHBondContact O-N 3.1Å; D284-R287 IonicContact OD1-CZ 3.99Å; D284-R287 IonicContact OD1-NH1 2.69Å; D284-R287 PolarHBondContact OD1-NH1 3.36Å; D284-R287 IonicContact OD1-NH2 2.89Å; D284-R287 PolarHBondContact OD1-NH2 2.87Å; D284-K288 WeakPolarHBondContact O-CG 3.36Å; D284-K288 PolarHBondContact O-N 3.29Å |
| 285 | I | 90.4 | Very high | 86.6 | Confident | 14 Ų | 14 | 53 Ų | 53 | 7% | 0.072 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.5 | -40.3 | 177.9 | -64.1 | 169 | 0 | 0 | 0 | 110.5 | Q281 I282 R287 K288 L289 L329 E332 R333 L336 | Q281-I285 VanDerWaalsContact O-CG1 3.28Å; Q281-I285 WeakPolarHBondContact O-CG1 3.07Å; Q281-I285 PolarHBondContact O-N 3.42Å; I282-I285 PolarHBondContact O-N 3.27Å; I285-R287 VanDerWaalsContact C-N 3.3Å; I285-R287 PolarHBondContact O-N 2.96Å; I285-K288 WeakPolarHBondContact O-CB 3.23Å; I285-K288 PolarHBondContact O-N 3.49Å; I285-L289 HydrophobicContact CG2-CD1 4.08Å; I285-L289 HydrophobicContact CG2-CG 4.37Å; I285-L289 WeakPolarHBondContact O-CG 3.42Å; I285-L289 PolarHBondContact O-N 2.92Å; I285-L329 HydrophobicContact CG2-CB 4.1Å; I285-L329 HydrophobicContact CG2-CD2 4.33Å; I285-L329 VanDerWaalsContact CG2-O 3.3Å; I285-L329 WeakPolarHBondContact CG2-O 3.21Å; I285-E332 HydrophobicContact CD1-CB 4.23Å; I285-E332 HydrophobicContact CD1-CG 3.73Å; I285-R333 HydrophobicContact CB-CB 4.46Å; I285-R333 HydrophobicContact CG2-CB 3.79Å; I285-R333 HydrophobicContact CG2-CG 4.47Å; I285-L336 HydrophobicContact CD1-CD1 3.61Å |
| 286 | T | 90.1 | Very high | 85.7 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 5% | 0.049 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 176.3 | -59.2 | 0 | 0 | 0 | 0 | 111 | I282 E283 L289 R290 | I282-T286 VanDerWaalsContact O-CB 3.27Å; I282-T286 WeakPolarHBondContact O-CB 3.22Å; I282-T286 PolarHBondContact O-N 3.49Å; I282-T286 PolarHBondContact O-OG1 3.12Å; E283-T286 PolarHBondContact O-N 3.07Å; T286-L289 PolarHBondContact O-N 2.95Å; T286-R290 WeakPolarHBondContact O-CB 3.32Å; T286-R290 WeakPolarHBondContact O-CG 3.48Å; T286-R290 PolarHBondContact O-N 2.88Å |
| 287 | R | 86.4 | Confident | 84.7 | Confident | 44 Ų | 44 | 53.5 Ų | 53.5 | 17% | 0.166 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 171.4 | -171.6 | -169.9 | 66.6 | -118.9 | -28.3 | 110.6 | F256 E283 D284 I285 L289 R290 T291 | F256-R287 PolarHBondContact O-NH1 2.9Å; F256-R287 VanDerWaalsContact O-NH1 3.07Å; E283-R287 WeakPolarHBondContact O-CB 3.35Å; E283-R287 PolarHBondContact O-N 3.4Å; D284-R287 PolarHBondContact O-N 3.1Å; D284-R287 IonicContact OD1-CZ 3.99Å; D284-R287 IonicContact OD1-NH1 2.69Å; D284-R287 PolarHBondContact OD1-NH1 3.36Å; D284-R287 IonicContact OD1-NH2 2.89Å; D284-R287 PolarHBondContact OD1-NH2 2.87Å; I285-R287 VanDerWaalsContact C-N 3.3Å; I285-R287 PolarHBondContact O-N 2.96Å; R287-L289 VanDerWaalsContact C-N 3.29Å; R287-L289 PolarHBondContact O-N 3.44Å; R287-R290 PolarHBondContact O-N 3.3Å; R287-R290 VanDerWaalsContact O-N 3.11Å; R287-T291 HydrophobicContact CG-CG2 3.94Å; R287-T291 WeakPolarHBondContact O-CG2 3.45Å; R287-T291 PolarHBondContact O-N 3.22Å; R287-T291 PolarHBondContact O-OG1 2.96Å |
| 288 | K | 86.7 | Confident | 83.7 | Confident | 79 Ų | 79 | 53.7 Ų | 53.7 | 34% | 0.343 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -56 | -41.8 | 177.3 | -71.7 | 172.4 | -177.3 | 176 | 0 | 112.4 | D284 I285 G292 D293 L329 | D284-K288 WeakPolarHBondContact O-CG 3.36Å; D284-K288 PolarHBondContact O-N 3.29Å; I285-K288 WeakPolarHBondContact O-CB 3.23Å; I285-K288 PolarHBondContact O-N 3.49Å; K288-G292 PolarHBondContact O-N 2.93Å; K288-G292 VanDerWaalsContact O-N 3.13Å; K288-D293 PolarHBondContact O-N 3.49Å; K288-L329 HydrophobicContact CB-CD1 4.18Å; K288-L329 HydrophobicContact CD-CD2 4.39Å |
| 289 | L | 87.6 | Confident | 82.5 | Confident | 18 Ų | 18 | 57.2 Ų | 57.2 | 9% | 0.094 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.4 | -37.6 | 177.1 | -72 | 171 | 0 | 0 | 0 | 112.8 | I285 T286 R287 R326 L329 E330 | I285-L289 HydrophobicContact CG2-CD1 4.08Å; I285-L289 HydrophobicContact CG2-CG 4.37Å; I285-L289 WeakPolarHBondContact O-CG 3.42Å; I285-L289 PolarHBondContact O-N 2.92Å; T286-L289 PolarHBondContact O-N 2.95Å; R287-L289 VanDerWaalsContact C-N 3.29Å; R287-L289 PolarHBondContact O-N 3.44Å; L289-R326 HydrophobicContact CD2-CG 3.83Å; L289-L329 HydrophobicContact CD2-CB 3.77Å; L289-L329 HydrophobicContact CD2-CD1 4.34Å; L289-L329 HydrophobicContact CG-CB 4.19Å; L289-E330 HydrophobicContact CD1-CG 3.94Å; L289-E330 HydrophobicContact CD2-CG 3.91Å |
| 290 | R | 86.3 | Confident | 81.4 | Confident | 167 Ų | 167 | 58.4 Ų | 58.4 | 63% | 0.63 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -77.1 | -41.7 | 178.9 | -74.1 | 178.8 | 178.7 | 172.4 | -0.5 | 113.1 | T286 R287 G292 D352 | T286-R290 WeakPolarHBondContact O-CB 3.32Å; T286-R290 WeakPolarHBondContact O-CG 3.48Å; T286-R290 PolarHBondContact O-N 2.88Å; R287-R290 PolarHBondContact O-N 3.3Å; R287-R290 VanDerWaalsContact O-N 3.11Å; R290-G292 VanDerWaalsContact C-N 3.32Å; R290-D352 IonicContact CZ-OD2 2.72Å; R290-D352 IonicContact NE-OD2 3.47Å; R290-D352 PolarHBondContact NE-OD2 3.48Å; R290-D352 IonicContact NH2-OD2 3.38Å; R290-D352 PolarHBondContact NH2-OD2 3.27Å |
| 291 | T | 83.9 | Confident | 80.3 | Confident | 93 Ų | 93 | 66 Ų | 66 | 57% | 0.571 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -76.5 | -20.6 | -179.2 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | R287 D293 | R287-T291 HydrophobicContact CG-CG2 3.94Å; R287-T291 WeakPolarHBondContact O-CG2 3.45Å; R287-T291 PolarHBondContact O-N 3.22Å; R287-T291 PolarHBondContact O-OG1 2.96Å; T291-D293 PolarHBondContact O-N 3.34Å; T291-D293 PolarHBondContact OG1-N 3.44Å |
| 292 | G | 79.1 | Confident | 79.2 | Confident | 41 Ų | 41 | 67.4 Ų | 67.4 | 42% | 0.423 | 38% | 0.375 | S | S | . | . | trans | 74.8 | 9.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K288 R290 L294 | K288-G292 PolarHBondContact O-N 2.93Å; K288-G292 VanDerWaalsContact O-N 3.13Å; R290-G292 VanDerWaalsContact C-N 3.32Å; G292-L294 PolarHBondContact O-N 2.86Å | ||
| 293 | D | 78.8 | Confident | 78.3 | Confident | 109 Ų | 109 | 71.9 Ų | 71.9 | 58% | 0.583 | 39% | 0.392 | S | S | * | . | trans | -78.3 | 77.5 | 170.5 | -176.4 | 19.9 | 0 | 0 | 0 | 109.7 | K288 T291 G295 | K288-D293 PolarHBondContact O-N 3.49Å; T291-D293 PolarHBondContact O-N 3.34Å; T291-D293 PolarHBondContact OG1-N 3.44Å; D293-G295 PolarHBondContact O-N 3.5Å; D293-G295 VanDerWaalsContact O-N 3.15Å | ||
| 294 | L | 74.7 | Confident | 77.4 | Confident | 24 Ų | 24 | 73.8 Ų | 73.8 | 13% | 0.126 | 41% | 0.411 | C | S | . | . | trans | -75.2 | 6.6 | -174.9 | -62.2 | 173.9 | 0 | 0 | 0 | 113.1 | G292 I296 E322 R326 L329 | G292-L294 PolarHBondContact O-N 2.86Å; L294-I296 HydrophobicContact CB-CD1 3.69Å; L294-I296 HydrophobicContact CB-CG1 3.77Å; L294-I296 HydrophobicContact CD1-CD1 3.84Å; L294-I296 HydrophobicContact CG-CD1 4.4Å; L294-I296 PolarHBondContact O-N 2.99Å; L294-E322 HydrophobicContact CD1-CB 4.13Å; L294-R326 HydrophobicContact CD2-CB 4.23Å; L294-L329 HydrophobicContact CD2-CD1 3.77Å | ||
| 295 | G | 69.8 | Low | 76.5 | Confident | 60 Ų | 60 | 78 Ų | 78 | 62% | 0.619 | 44% | 0.441 | S | S | * | . | trans | 63.2 | 21.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D293 P297 | D293-G295 PolarHBondContact O-N 3.5Å; D293-G295 VanDerWaalsContact O-N 3.15Å; G295-P297 WeakPolarHBondContact O-CD 2.79Å | ||
| 296 | I | 71.2 | Confident | 75.6 | Confident | 45 Ų | 45 | 81.1 Ų | 81.1 | 23% | 0.231 | 46% | 0.464 | C | S | . | . | trans | -74.5 | 110 | 179.8 | -73.6 | 175.5 | 0 | 0 | 0 | 107.5 | L294 A298 R321 E322 T325 | L294-I296 HydrophobicContact CB-CD1 3.69Å; L294-I296 HydrophobicContact CB-CG1 3.77Å; L294-I296 HydrophobicContact CD1-CD1 3.84Å; L294-I296 HydrophobicContact CG-CD1 4.4Å; L294-I296 PolarHBondContact O-N 2.99Å; I296-A298 PolarHBondContact O-N 3.49Å; I296-R321 HydrophobicContact CD1-CG 4.47Å; I296-E322 HydrophobicContact CD1-CG 4.21Å; I296-T325 HydrophobicContact CD1-CG2 4.34Å; I296-T325 WeakPolarHBondContact CD1-OG1 3.49Å; I296-T325 HydrophobicContact CG1-CG2 3.96Å | ||
| 297 | P | 69.5 | Low | 75 | Confident | 41 Ų | 41 | 84.3 Ų | 84.3 | 27% | 0.266 | 49% | 0.485 | S | S | . | . | trans | -54.4 | 129.3 | 176.1 | 14 | -28.8 | 0 | 0 | 0 | 110.6 | G295 N299 E302 R303 R321 | G295-P297 WeakPolarHBondContact O-CD 2.79Å; P297-N299 PolarHBondContact O-N 3.33Å; P297-E302 HydrophobicContact CB-CB 4.11Å; P297-E302 HydrophobicContact CG-CB 4.23Å; P297-R303 PolarHBondContact O-NE 3.29Å; P297-R303 PolarHBondContact O-NH2 3.49Å; P297-R321 VanDerWaalsContact CG-NH2 3.32Å; P297-R321 PolarHBondContact O-NH1 2.79Å | ||
| 298 | A | 69.4 | Low | 74.7 | Confident | 82 Ų | 82 | 90.1 Ų | 90.1 | 68% | 0.678 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -62 | -37.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | I296 R303 | I296-A298 PolarHBondContact O-N 3.49Å; A298-R303 PolarHBondContact O-NH2 3.45Å |
| 299 | N | 66.5 | Low | 74.4 | Confident | 93 Ų | 93 | 89.3 Ų | 89.3 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -63.7 | 132 | 176.5 | -72.7 | -12.4 | 0 | 0 | 0 | 111 | P297 E302 R303 | P297-N299 PolarHBondContact O-N 3.33Å; N299-E302 HydrophobicContact CB-CG 4.4Å; N299-R303 WeakPolarHBondContact O-CG 3.24Å; N299-R303 PolarHBondContact O-NE 2.91Å |
| 300 | P | 66.2 | Low | 74.2 | Confident | 98 Ų | 98 | 92.3 Ų | 92.3 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -70.7 | -27.9 | -179.9 | 26.9 | -32.7 | 0 | 0 | 0 | 114.1 | R303 | P300-R303 WeakPolarHBondContact O-CB 3.4Å; P300-R303 VanDerWaalsContact O-CG 3.25Å; P300-R303 WeakPolarHBondContact O-CG 3.36Å; P300-R303 PolarHBondContact O-N 2.83Å |
| 301 | E | 67.4 | Low | 74.1 | Confident | 185 Ų | 185 | 91.1 Ų | 91.1 | 86% | 0.864 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -30.3 | -176 | -63 | 175.4 | 170.3 | 0 | 0 | 113 | R303 | E301-R303 PolarHBondContact O-N 2.88Š|
| 302 | E | 67.6 | Low | 74.1 | Confident | 117 Ų | 117 | 89.6 Ų | 89.6 | 55% | 0.547 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 4.9 | 176.8 | -62.4 | 178.8 | 179.2 | 0 | 0 | 112.2 | P297 N299 | P297-E302 HydrophobicContact CB-CB 4.11Å; P297-E302 HydrophobicContact CG-CB 4.23Å; N299-E302 HydrophobicContact CB-CG 4.4Å |
| 303 | R | 73.4 | Confident | 74.4 | Confident | 96 Ų | 96 | 92.7 Ų | 92.7 | 36% | 0.362 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -86.7 | 126 | -179.9 | -49.9 | -176.9 | 173.7 | -149.8 | -1.4 | 108.4 | P297 A298 N299 P300 E301 | P297-R303 PolarHBondContact O-NE 3.29Å; P297-R303 PolarHBondContact O-NH2 3.49Å; A298-R303 PolarHBondContact O-NH2 3.45Å; N299-R303 WeakPolarHBondContact O-CG 3.24Å; N299-R303 PolarHBondContact O-NE 2.91Å; P300-R303 WeakPolarHBondContact O-CB 3.4Å; P300-R303 VanDerWaalsContact O-CG 3.25Å; P300-R303 WeakPolarHBondContact O-CG 3.36Å; P300-R303 PolarHBondContact O-N 2.83Å; E301-R303 PolarHBondContact O-N 2.88Å |
| 304 | S | 71.2 | Confident | 74.3 | Confident | 97 Ų | 97 | 95.7 Ų | 95.7 | 68% | 0.678 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 140.2 | 170.9 | 48 | 0 | 0 | 0 | 0 | 110.9 | S306 | S304-S306 PolarHBondContact O-N 2.98Š|
| 305 | P | 71 | Confident | 74.6 | Confident | 126 Ų | 126 | 97 Ų | 97 | 82% | 0.818 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 126.1 | 176.9 | -27.9 | 35.2 | 0 | 0 | 0 | 111.5 | P307 | P305-P307 WeakPolarHBondContact O-CD 3.42Š|
| 306 | S | 71.1 | Confident | 75.2 | Confident | 80 Ų | 80 | 101.5 Ų | 101.5 | 56% | 0.559 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 128.7 | -175.1 | 165.9 | 0 | 0 | 0 | 0 | 110.8 | S304 R324 | S304-S306 PolarHBondContact O-N 2.98Å; S306-R324 PolarHBondContact OG-NH1 3.35Å |
| 307 | P | 77.6 | Confident | 75.7 | Confident | 75 Ų | 75 | 105.9 Ų | 105.9 | 49% | 0.487 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -53.3 | 162.1 | 169.4 | -11.6 | 1.4 | 0 | 0 | 0 | 113.5 | P305 R324 | P305-P307 WeakPolarHBondContact O-CD 3.42Å; P307-R324 VanDerWaalsContact C-NH2 3.32Å; P307-R324 VanDerWaalsContact CB-NH2 3.27Å; P307-R324 PolarHBondContact O-NH2 3.01Å |
| 308 | E | 79.9 | Confident | 76.2 | Confident | 167 Ų | 167 | 108.2 Ų | 108.2 | 78% | 0.78 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 142 | -177.2 | -64 | -170.5 | 167.2 | 0 | 0 | 112.2 | V310 N319 | E308-V310 PolarHBondContact O-N 2.82Å; E308-V310 VanDerWaalsContact O-N 3.16Å; E308-N319 PolarHBondContact O-ND2 2.91Å |
| 309 | P | 81 | Confident | 76.7 | Confident | 62 Ų | 62 | 106.3 Ų | 106.3 | 40% | 0.403 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 116.2 | 175.3 | -26.4 | 36.7 | 0 | 0 | 0 | 111.9 | Y311 R317 | P309-Y311 HydrophobicContact CB-CD2 4.43Å; P309-Y311 HydrophobicContact CB-CE2 3.63Å; P309-R317 HydrophobicContact CB-CG 4.09Å |
| 310 | V | 83.1 | Confident | 77.5 | Confident | 81 Ų | 81 | 103 Ų | 103 | 49% | 0.491 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -92.5 | 129.3 | 167.8 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | E308 L318 N319 | E308-V310 PolarHBondContact O-N 2.82Å; E308-V310 VanDerWaalsContact O-N 3.16Å; V310-L318 PolarHBondContact O-N 2.94Å; V310-N319 HydrophobicContact CB-CB 4.07Å; V310-N319 HydrophobicContact CG2-CB 4.3Å |
| 311 | Y | 83.5 | Confident | 78.3 | Confident | 142 Ų | 142 | 100.4 Ų | 100.4 | 56% | 0.557 | 53% | 0.529 | S | S | * | . | B | Isolated β-bridge | trans | -106.9 | 141.9 | 179.7 | -63.2 | -89.8 | 0 | 0 | 0 | 110.3 | P309 K316 R317 | P309-Y311 HydrophobicContact CB-CD2 4.43Å; P309-Y311 HydrophobicContact CB-CE2 3.63Å; Y311-K316 WeakPolarHBondContact CA-O 3.3Å; Y311-R317 HydrophobicContact CD1-CB 4.17Å; Y311-R317 HydrophobicContact CE1-CB 3.95Å; Y311-R317 HydrophobicContact CE1-CG 4.4Å |
| 312 | D | 84 | Confident | 79.1 | Confident | 61 Ų | 61 | 95.8 Ų | 95.8 | 33% | 0.326 | 51% | 0.507 | S | S | . | . | trans | -71.3 | 163.3 | 166.2 | -167.5 | 1.2 | 0 | 0 | 0 | 110.4 | F314 G315 K316 L318 | D312-F314 PolarHBondContact O-N 2.99Å; D312-F314 VanDerWaalsContact O-N 3.13Å; D312-G315 WeakPolarHBondContact O-CA 3.17Å; D312-G315 PolarHBondContact O-N 2.86Å; D312-K316 PolarHBondContact N-O 3.02Å; D312-L318 HydrophobicContact CB-CD1 3.87Å; D312-L318 HydrophobicContact CB-CD2 4.11Å; D312-L318 HydrophobicContact CB-CG 3.95Å | ||
| 313 | S | 84.9 | Confident | 79.9 | Confident | 106 Ų | 106 | 93.4 Ų | 93.4 | 74% | 0.741 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.7 | -30.8 | 166.7 | 56.1 | 0 | 0 | 0 | 0 | 114 | G315 | S313-G315 VanDerWaalsContact C-N 3.29Å; S313-G315 PolarHBondContact O-N 3.08Å |
| 314 | F | 77.5 | Confident | 80.5 | Confident | 171 Ų | 171 | 91.2 Ų | 91.2 | 75% | 0.75 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 7.6 | 174.7 | -62.1 | -79.4 | 0 | 0 | 0 | 114.2 | D312 K316 | D312-F314 PolarHBondContact O-N 2.99Å; D312-F314 VanDerWaalsContact O-N 3.13Å; F314-K316 VanDerWaalsContact C-N 3.26Å; F314-K316 PolarHBondContact O-N 2.93Å |
| 315 | G | 80.8 | Confident | 81.2 | Confident | 53 Ų | 53 | 88.4 Ų | 88.4 | 55% | 0.546 | 47% | 0.471 | S | S | . | . | S | Bend | trans | 74.4 | 7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D312 S313 | D312-G315 WeakPolarHBondContact O-CA 3.17Å; D312-G315 PolarHBondContact O-N 2.86Å; S313-G315 VanDerWaalsContact C-N 3.29Å; S313-G315 PolarHBondContact O-N 3.08Å |
| 316 | K | 82.2 | Confident | 82.1 | Confident | 153 Ų | 153 | 87.6 Ų | 87.6 | 67% | 0.665 | 45% | 0.452 | S | S | * | . | trans | -80.2 | 134.7 | 176.2 | -66.8 | -174.9 | -179 | -179.5 | 0 | 110.6 | Y311 D312 F314 L318 | Y311-K316 WeakPolarHBondContact CA-O 3.3Å; D312-K316 PolarHBondContact N-O 3.02Å; F314-K316 VanDerWaalsContact C-N 3.26Å; F314-K316 PolarHBondContact O-N 2.93Å; K316-L318 PolarHBondContact O-N 3.21Å | ||
| 317 | R | 82.7 | Confident | 82.8 | Confident | 137 Ų | 137 | 88.9 Ų | 88.9 | 52% | 0.517 | 45% | 0.449 | S | S | . | . | B | Isolated β-bridge | trans | -73.9 | 107.5 | 176.1 | -172.3 | 175.2 | 72.1 | 170.3 | 6.9 | 110 | P309 Y311 T320 | P309-R317 HydrophobicContact CB-CG 4.09Å; Y311-R317 HydrophobicContact CD1-CB 4.17Å; Y311-R317 HydrophobicContact CE1-CB 3.95Å; Y311-R317 HydrophobicContact CE1-CG 4.4Å; R317-T320 HydrophobicContact CG-CG2 4.35Å |
| 318 | L | 79.2 | Confident | 83.4 | Confident | 91 Ų | 91 | 90.8 Ų | 90.8 | 48% | 0.476 | 46% | 0.455 | S | S | . | . | trans | -77.2 | -32.4 | -179.8 | -64.4 | 174.2 | 0 | 0 | 0 | 111.9 | V310 D312 K316 T320 | V310-L318 PolarHBondContact O-N 2.94Å; D312-L318 HydrophobicContact CB-CD1 3.87Å; D312-L318 HydrophobicContact CB-CD2 4.11Å; D312-L318 HydrophobicContact CB-CG 3.95Å; K316-L318 PolarHBondContact O-N 3.21Å; L318-T320 PolarHBondContact O-N 3.36Å | ||
| 319 | N | 80.1 | Confident | 83.9 | Confident | 41 Ų | 41 | 84.2 Ų | 84.2 | 22% | 0.219 | 43% | 0.425 | C | S | . | . | trans | -97.4 | 59.7 | -167.8 | -153.2 | 6.4 | 0 | 0 | 0 | 112.5 | E308 V310 R324 | E308-N319 PolarHBondContact O-ND2 2.91Å; V310-N319 HydrophobicContact CB-CB 4.07Å; V310-N319 HydrophobicContact CG2-CB 4.3Å; N319-R324 VanDerWaalsContact CG-NE 3.35Å; N319-R324 PolarHBondContact ND2-NH2 3.42Å; N319-R324 PolarHBondContact O-NH2 3.42Å; N319-R324 WeakPolarHBondContact OD1-CG 3.44Å; N319-R324 VanDerWaalsContact OD1-CZ 3.28Å; N319-R324 PolarHBondContact OD1-NE 3.14Å; N319-R324 PolarHBondContact OD1-NH2 2.76Å | ||
| 320 | T | 83.1 | Confident | 84.3 | Confident | 25 Ų | 25 | 84.9 Ų | 84.9 | 15% | 0.153 | 42% | 0.423 | C | S | . | . | trans | -86 | 158.8 | 174.3 | 85.3 | 0 | 0 | 0 | 0 | 111.3 | R317 L318 E322 V323 R324 | R317-T320 HydrophobicContact CG-CG2 4.35Å; L318-T320 PolarHBondContact O-N 3.36Å; T320-E322 WeakPolarHBondContact CB-OE2 3.19Å; T320-E322 PolarHBondContact O-N 3.48Å; T320-E322 PolarHBondContact OG1-OE2 3.07Å; T320-V323 PolarHBondContact O-N 2.93Å; T320-V323 VanDerWaalsContact O-N 3.15Å; T320-V323 WeakPolarHBondContact OG1-CG2 3.33Å; T320-V323 PolarHBondContact OG1-N 3.29Å; T320-R324 PolarHBondContact O-N 3.21Å | ||
| 321 | R | 82.8 | Confident | 84.6 | Confident | 42 Ų | 42 | 85 Ų | 85 | 16% | 0.158 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58 | -39.1 | 179.5 | -177.7 | -177.9 | -175.4 | -158.4 | 3.2 | 111.8 | I296 P297 R324 T325 | I296-R321 HydrophobicContact CD1-CG 4.47Å; P297-R321 VanDerWaalsContact CG-NH2 3.32Å; P297-R321 PolarHBondContact O-NH1 2.79Å; R321-R324 PolarHBondContact O-N 3.18Å; R321-T325 WeakPolarHBondContact O-CB 3.39Å; R321-T325 WeakPolarHBondContact O-CG2 3.42Å; R321-T325 PolarHBondContact O-N 2.84Å; R321-T325 PolarHBondContact O-OG1 2.94Å |
| 322 | E | 84.3 | Confident | 85 | Confident | 88 Ų | 88 | 81.3 Ų | 81.3 | 41% | 0.411 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 179.4 | -55.2 | 71.4 | -150.4 | 0 | 0 | 110.7 | L294 I296 T320 T325 R326 | L294-E322 HydrophobicContact CD1-CB 4.13Å; I296-E322 HydrophobicContact CD1-CG 4.21Å; T320-E322 WeakPolarHBondContact CB-OE2 3.19Å; T320-E322 PolarHBondContact O-N 3.48Å; T320-E322 PolarHBondContact OG1-OE2 3.07Å; E322-T325 WeakPolarHBondContact CA-OG1 3.26Å; E322-T325 PolarHBondContact O-OG1 2.98Å; E322-T325 VanDerWaalsContact O-OG1 3.08Å; E322-R326 WeakPolarHBondContact O-CB 3.41Å; E322-R326 PolarHBondContact O-N 3.34Å |
| 323 | V | 85.2 | Confident | 85.4 | Confident | 68 Ų | 68 | 79.2 Ų | 79.2 | 41% | 0.412 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.2 | -44.8 | 176.1 | 177 | 0 | 0 | 0 | 0 | 110.8 | T320 T325 R326 Q327 | T320-V323 PolarHBondContact O-N 2.93Å; T320-V323 VanDerWaalsContact O-N 3.15Å; T320-V323 WeakPolarHBondContact OG1-CG2 3.33Å; T320-V323 PolarHBondContact OG1-N 3.29Å; V323-T325 PolarHBondContact O-N 3.47Å; V323-R326 PolarHBondContact O-N 3.21Å; V323-Q327 VanDerWaalsContact O-CB 3.31Å; V323-Q327 WeakPolarHBondContact O-CB 3.46Å; V323-Q327 PolarHBondContact O-N 3.26Å |
| 324 | R | 84.4 | Confident | 85.6 | Confident | 50 Ų | 50 | 75.8 Ų | 75.8 | 19% | 0.189 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 178.2 | -68 | -175.9 | -169.3 | 131 | 2.3 | 112.9 | S306 P307 N319 T320 R321 Q327 N328 | S306-R324 PolarHBondContact OG-NH1 3.35Å; P307-R324 VanDerWaalsContact C-NH2 3.32Å; P307-R324 VanDerWaalsContact CB-NH2 3.27Å; P307-R324 PolarHBondContact O-NH2 3.01Å; N319-R324 VanDerWaalsContact CG-NE 3.35Å; N319-R324 PolarHBondContact ND2-NH2 3.42Å; N319-R324 PolarHBondContact O-NH2 3.42Å; N319-R324 WeakPolarHBondContact OD1-CG 3.44Å; N319-R324 VanDerWaalsContact OD1-CZ 3.28Å; N319-R324 PolarHBondContact OD1-NE 3.14Å; N319-R324 PolarHBondContact OD1-NH2 2.76Å; T320-R324 PolarHBondContact O-N 3.21Å; R321-R324 PolarHBondContact O-N 3.18Å; R324-Q327 PolarHBondContact O-N 3.29Å; R324-N328 WeakPolarHBondContact O-CB 3.46Å; R324-N328 PolarHBondContact O-N 3.03Å |
| 325 | T | 87.1 | Confident | 86.3 | Confident | 37 Ų | 37 | 73.3 Ų | 73.3 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.9 | -40.9 | 179.9 | 45.9 | 0 | 0 | 0 | 0 | 111.4 | I296 R321 E322 V323 N328 L329 | I296-T325 HydrophobicContact CD1-CG2 4.34Å; I296-T325 WeakPolarHBondContact CD1-OG1 3.49Å; I296-T325 HydrophobicContact CG1-CG2 3.96Å; R321-T325 WeakPolarHBondContact O-CB 3.39Å; R321-T325 WeakPolarHBondContact O-CG2 3.42Å; R321-T325 PolarHBondContact O-N 2.84Å; R321-T325 PolarHBondContact O-OG1 2.94Å; E322-T325 WeakPolarHBondContact CA-OG1 3.26Å; E322-T325 PolarHBondContact O-OG1 2.98Å; E322-T325 VanDerWaalsContact O-OG1 3.08Å; V323-T325 PolarHBondContact O-N 3.47Å; T325-N328 PolarHBondContact O-N 2.91Å; T325-L329 WeakPolarHBondContact O-CG 3.22Å; T325-L329 PolarHBondContact O-N 3.22Å |
| 326 | R | 88.6 | Confident | 86.9 | Confident | 110 Ų | 110 | 71 Ų | 71 | 42% | 0.415 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 170.8 | -178 | -174.3 | -65 | -106.9 | -3.2 | 111.8 | L289 L294 E322 V323 N328 L329 E330 | L289-R326 HydrophobicContact CD2-CG 3.83Å; L294-R326 HydrophobicContact CD2-CB 4.23Å; E322-R326 WeakPolarHBondContact O-CB 3.41Å; E322-R326 PolarHBondContact O-N 3.34Å; V323-R326 PolarHBondContact O-N 3.21Å; R326-N328 VanDerWaalsContact C-N 3.29Å; R326-N328 PolarHBondContact O-N 3.15Å; R326-L329 PolarHBondContact O-N 2.79Å; R326-E330 WeakPolarHBondContact O-CG 3.43Å; R326-E330 PolarHBondContact O-N 3.41Å |
| 327 | Q | 87.8 | Confident | 87.4 | Confident | 107 Ų | 107 | 63.7 Ų | 63.7 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 178.7 | -172.7 | 176.4 | 15 | 0 | 0 | 111.6 | V323 R324 E330 N331 | V323-Q327 VanDerWaalsContact O-CB 3.31Å; V323-Q327 WeakPolarHBondContact O-CB 3.46Å; V323-Q327 PolarHBondContact O-N 3.26Å; R324-Q327 PolarHBondContact O-N 3.29Å; Q327-E330 PolarHBondContact O-N 3.12Å; Q327-N331 WeakPolarHBondContact O-CB 3.37Å; Q327-N331 PolarHBondContact O-N 3.18Å |
| 328 | N | 88.9 | Confident | 87.7 | Confident | 114 Ų | 114 | 61.2 Ų | 61.2 | 61% | 0.61 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.2 | -41.3 | 176.3 | -160.8 | 31.7 | 0 | 0 | 0 | 112 | R324 T325 R326 N331 E332 | R324-N328 WeakPolarHBondContact O-CB 3.46Å; R324-N328 PolarHBondContact O-N 3.03Å; T325-N328 PolarHBondContact O-N 2.91Å; R326-N328 VanDerWaalsContact C-N 3.29Å; R326-N328 PolarHBondContact O-N 3.15Å; N328-N331 PolarHBondContact O-N 3.22Å; N328-E332 WeakPolarHBondContact O-CB 3.46Å; N328-E332 PolarHBondContact O-N 2.83Å |
| 329 | L | 90.6 | Very high | 88.3 | Confident | 30 Ų | 30 | 61 Ų | 61 | 16% | 0.157 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66 | -38.1 | 173.8 | -71.7 | 174.7 | 0 | 0 | 0 | 112.2 | I285 K288 L289 L294 T325 R326 E332 R333 | I285-L329 HydrophobicContact CG2-CB 4.1Å; I285-L329 HydrophobicContact CG2-CD2 4.33Å; I285-L329 VanDerWaalsContact CG2-O 3.3Å; I285-L329 WeakPolarHBondContact CG2-O 3.21Å; K288-L329 HydrophobicContact CB-CD1 4.18Å; K288-L329 HydrophobicContact CD-CD2 4.39Å; L289-L329 HydrophobicContact CD2-CB 3.77Å; L289-L329 HydrophobicContact CD2-CD1 4.34Å; L289-L329 HydrophobicContact CG-CB 4.19Å; L294-L329 HydrophobicContact CD2-CD1 3.77Å; T325-L329 WeakPolarHBondContact O-CG 3.22Å; T325-L329 PolarHBondContact O-N 3.22Å; R326-L329 PolarHBondContact O-N 2.79Å; L329-E332 PolarHBondContact O-N 3.17Å; L329-R333 WeakPolarHBondContact O-CB 3.47Å; L329-R333 PolarHBondContact O-N 3.16Å |
| 330 | E | 89.2 | Confident | 88.9 | Confident | 75 Ų | 75 | 59.2 Ų | 59.2 | 35% | 0.35 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 174.7 | -74.5 | 173 | 178.6 | 0 | 0 | 111.9 | L289 R326 Q327 R333 H334 | L289-E330 HydrophobicContact CD1-CG 3.94Å; L289-E330 HydrophobicContact CD2-CG 3.91Å; R326-E330 WeakPolarHBondContact O-CG 3.43Å; R326-E330 PolarHBondContact O-N 3.41Å; Q327-E330 PolarHBondContact O-N 3.12Å; E330-R333 PolarHBondContact O-N 3.38Å; E330-H334 WeakPolarHBondContact O-CB 3.47Å; E330-H334 PolarHBondContact O-N 3.08Å |
| 331 | N | 89.5 | Confident | 89.2 | Confident | 83 Ų | 83 | 61.7 Ų | 61.7 | 44% | 0.444 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 175.2 | -71.8 | -12.6 | 0 | 0 | 0 | 111.8 | Q327 N328 H334 R335 | Q327-N331 WeakPolarHBondContact O-CB 3.37Å; Q327-N331 PolarHBondContact O-N 3.18Å; N328-N331 PolarHBondContact O-N 3.22Å; N331-H334 WeakPolarHBondContact O-CB 3.45Å; N331-H334 PolarHBondContact O-N 2.92Å; N331-R335 PolarHBondContact O-N 2.91Å |
| 332 | E | 91.4 | Very high | 89.6 | Confident | 65 Ų | 65 | 67.8 Ų | 67.8 | 30% | 0.304 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 176.6 | -175.2 | 59.1 | -165.9 | 0 | 0 | 111.2 | I285 N328 L329 H334 R335 L336 | I285-E332 HydrophobicContact CD1-CB 4.23Å; I285-E332 HydrophobicContact CD1-CG 3.73Å; N328-E332 WeakPolarHBondContact O-CB 3.46Å; N328-E332 PolarHBondContact O-N 2.83Å; L329-E332 PolarHBondContact O-N 3.17Å; E332-H334 VanDerWaalsContact C-N 3.28Å; E332-H334 PolarHBondContact O-N 3.21Å; E332-R335 WeakPolarHBondContact O-CB 3.49Å; E332-R335 PolarHBondContact O-N 3.34Å; E332-R335 IonicContact OE1-CZ 3.66Å; E332-R335 IonicContact OE1-NE 2.98Å; E332-R335 PolarHBondContact OE1-NE 3.34Å; E332-R335 IonicContact OE1-NH2 3.59Å; E332-R335 PolarHBondContact OE1-NH2 2.75Å; E332-R335 IonicContact OE2-CZ 2.69Å; E332-R335 IonicContact OE2-NE 3.59Å; E332-R335 PolarHBondContact OE2-NE 2.69Å; E332-R335 IonicContact OE2-NH2 2.77Å; E332-L336 WeakPolarHBondContact O-CG 3.37Å; E332-L336 PolarHBondContact O-N 3.23Å |
| 333 | R | 92.3 | Very high | 89.8 | Confident | 17 Ų | 17 | 67.5 Ų | 67.5 | 6% | 0.064 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.9 | -45.1 | 171.7 | -174.6 | -178.5 | 64.1 | 167.2 | -0.1 | 111.2 | I282 I285 L329 E330 L336 I337 D352 | I282-R333 HydrophobicContact CG2-CG 4.44Å; I285-R333 HydrophobicContact CB-CB 4.46Å; I285-R333 HydrophobicContact CG2-CB 3.79Å; I285-R333 HydrophobicContact CG2-CG 4.47Å; L329-R333 WeakPolarHBondContact O-CB 3.47Å; L329-R333 PolarHBondContact O-N 3.16Å; E330-R333 PolarHBondContact O-N 3.38Å; R333-L336 PolarHBondContact O-N 3.48Å; R333-I337 HydrophobicContact CG-CD1 3.82Å; R333-I337 VanDerWaalsContact O-CG1 3.3Å; R333-I337 WeakPolarHBondContact O-CG1 3.37Å; R333-I337 PolarHBondContact O-N 3.41Å; R333-D352 PolarHBondContact NH2-O 3.43Å |
| 334 | H | 91 | Very high | 89.8 | Confident | 34 Ų | 34 | 66.5 Ų | 66.5 | 16% | 0.157 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 177.8 | 173.7 | 55 | 0 | 0 | 0 | 111.8 | E330 N331 E332 L336 I337 L338 Y353 P356 | E330-H334 WeakPolarHBondContact O-CB 3.47Å; E330-H334 PolarHBondContact O-N 3.08Å; N331-H334 WeakPolarHBondContact O-CB 3.45Å; N331-H334 PolarHBondContact O-N 2.92Å; E332-H334 VanDerWaalsContact C-N 3.28Å; E332-H334 PolarHBondContact O-N 3.21Å; H334-L336 VanDerWaalsContact C-N 3.31Å; H334-L336 PolarHBondContact O-N 2.85Å; H334-I337 PolarHBondContact O-N 3.24Å; H334-L338 PolarHBondContact O-N 3.14Å; H334-Y353 HydrophobicContact CB-CE2 4.06Å; H334-Y353 PolarHBondContact CE1-OH 3.12Å; H334-Y353 AromaticContact ND1-CE2 3.73Å; H334-Y353 AromaticContact ND1-CZ 3.64Å; H334-Y353 PolarHBondContact ND1-OH 3.35Å; H334-P356 VanDerWaalsContact CD2-CG 3.43Å; H334-P356 WeakPolarHBondContact CD2-CG 3.43Å; H334-P356 VanDerWaalsContact CE1-CD 3.41Å; H334-P356 WeakPolarHBondContact CE1-CD 3.5Å; H334-P356 VanDerWaalsContact ND1-CD 3.31Å; H334-P356 WeakPolarHBondContact ND1-CD 3.47Å; H334-P356 VanDerWaalsContact NE2-CG 3.31Å; H334-P356 WeakPolarHBondContact NE2-CG 3.35Å |
| 335 | R | 92.2 | Very high | 90 | Very high | 119 Ų | 119 | 69.8 Ų | 69.8 | 45% | 0.449 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.6 | -43 | 177.2 | -170.4 | 179.8 | 77 | 109.9 | 3.6 | 112.3 | N331 E332 K339 | N331-R335 PolarHBondContact O-N 2.91Å; E332-R335 WeakPolarHBondContact O-CB 3.49Å; E332-R335 PolarHBondContact O-N 3.34Å; E332-R335 IonicContact OE1-CZ 3.66Å; E332-R335 IonicContact OE1-NE 2.98Å; E332-R335 PolarHBondContact OE1-NE 3.34Å; E332-R335 IonicContact OE1-NH2 3.59Å; E332-R335 PolarHBondContact OE1-NH2 2.75Å; E332-R335 IonicContact OE2-CZ 2.69Å; E332-R335 IonicContact OE2-NE 3.59Å; E332-R335 PolarHBondContact OE2-NE 2.69Å; E332-R335 IonicContact OE2-NH2 2.77Å; R335-K339 PolarHBondContact O-N 3.45Å |
| 336 | L | 92.7 | Very high | 90.2 | Very high | 4 Ų | 4 | 74.8 Ų | 74.8 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.6 | -37.5 | 178.1 | -62.5 | 176.8 | 0 | 0 | 0 | 112.5 | L278 Q281 I282 I285 E332 R333 H334 L338 K339 M340 | L278-L336 HydrophobicContact CD2-CD2 3.71Å; Q281-L336 HydrophobicContact CB-CD1 3.59Å; I282-L336 HydrophobicContact CD1-CB 4.13Å; I282-L336 HydrophobicContact CG1-CB 3.65Å; I282-L336 HydrophobicContact CG1-CD1 4.29Å; I285-L336 HydrophobicContact CD1-CD1 3.61Å; E332-L336 WeakPolarHBondContact O-CG 3.37Å; E332-L336 PolarHBondContact O-N 3.23Å; R333-L336 PolarHBondContact O-N 3.48Å; H334-L336 VanDerWaalsContact C-N 3.31Å; H334-L336 PolarHBondContact O-N 2.85Å; L336-L338 VanDerWaalsContact C-N 3.34Å; L336-K339 PolarHBondContact O-N 2.94Å; L336-M340 WeakPolarHBondContact O-CB 3.43Å; L336-M340 PolarHBondContact O-N 3.33Å |
| 337 | I | 91.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.5 | -41 | 176.1 | -72.3 | 167.8 | 0 | 0 | 0 | 110.9 | I282 R333 H334 M340 Q341 Y347 P349 Y353 | I282-I337 HydrophobicContact CD1-CG1 3.88Å; I282-I337 HydrophobicContact CG1-CG1 4.21Å; I282-I337 HydrophobicContact CG2-CD1 4.49Å; I282-I337 HydrophobicContact CG2-CG1 4.24Å; R333-I337 HydrophobicContact CG-CD1 3.82Å; R333-I337 VanDerWaalsContact O-CG1 3.3Å; R333-I337 WeakPolarHBondContact O-CG1 3.37Å; R333-I337 PolarHBondContact O-N 3.41Å; H334-I337 PolarHBondContact O-N 3.24Å; I337-M340 WeakPolarHBondContact O-CB 3.29Å; I337-M340 PolarHBondContact O-N 3.35Å; I337-Q341 HydrophobicContact CG2-CG 4.3Å; I337-Q341 WeakPolarHBondContact O-CG 3.34Å; I337-Q341 PolarHBondContact O-N 2.93Å; I337-Y347 HydrophobicContact CG2-CE1 4.35Å; I337-P349 HydrophobicContact CG2-CB 4.13Å; I337-P349 HydrophobicContact CG2-CG 3.94Å; I337-Y353 HydrophobicContact CD1-CD1 3.84Å; I337-Y353 HydrophobicContact CD1-CD2 3.36Å; I337-Y353 HydrophobicContact CD1-CE1 4.07Å; I337-Y353 HydrophobicContact CD1-CE2 3.66Å; I337-Y353 HydrophobicContact CD1-CG 3.43Å; I337-Y353 VanDerWaalsContact CD1-CG 3.43Å; I337-Y353 HydrophobicContact CG2-CD1 4.34Å; I337-Y353 HydrophobicContact CG2-CE1 3.73Å |
| 338 | L | 90.3 | Very high | 90.2 | Very high | 86 Ų | 86 | 74.9 Ų | 74.9 | 45% | 0.45 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.2 | -47.9 | 175.5 | -70.8 | 178.4 | 0 | 0 | 0 | 111.5 | H334 L336 M340 Q341 E342 | H334-L338 PolarHBondContact O-N 3.14Å; L336-L338 VanDerWaalsContact C-N 3.34Å; L338-M340 VanDerWaalsContact C-N 3.27Å; L338-M340 PolarHBondContact O-N 3.3Å; L338-Q341 PolarHBondContact O-N 3.25Å; L338-E342 WeakPolarHBondContact O-CB 3.37Å; L338-E342 PolarHBondContact O-N 3Å |
| 339 | K | 92.3 | Very high | 90.1 | Very high | 87 Ų | 87 | 71.5 Ų | 71.5 | 38% | 0.378 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.8 | -37.3 | 175.1 | -70.1 | -177.2 | 175.9 | -168.6 | 0 | 112.8 | L278 R335 L336 M343 | L278-K339 HydrophobicContact CD1-CB 3.91Å; R335-K339 PolarHBondContact O-N 3.45Å; L336-K339 PolarHBondContact O-N 2.94Å; K339-M343 PolarHBondContact O-N 3.16Å |
| 340 | M | 91.3 | Very high | 89.8 | Confident | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 176.7 | -177.4 | 69.3 | 80.6 | 0 | 0 | 111.8 | L275 L278 Q279 I282 L336 I337 L338 E342 M343 N344 Y347 | L275-M340 HydrophobicContact CB-SD 4.44Å; L275-M340 HydrophobicContact CD2-SD 3.43Å; L275-M340 WeakPolarHBondContact CD2-SD 3.27Å; L275-M340 WeakPolarHBondContact O-CE 3.43Å; L278-M340 HydrophobicContact CB-CE 3.47Å; L278-M340 VanDerWaalsContact CB-CE 3.47Å; L278-M340 HydrophobicContact CB-SD 4.41Å; L278-M340 HydrophobicContact CD1-CB 4.41Å; Q279-M340 HydrophobicContact CB-CE 3.62Å; I282-M340 HydrophobicContact CD1-CB 4.14Å; I282-M340 HydrophobicContact CD1-CE 3.97Å; L336-M340 WeakPolarHBondContact O-CB 3.43Å; L336-M340 PolarHBondContact O-N 3.33Å; I337-M340 WeakPolarHBondContact O-CB 3.29Å; I337-M340 PolarHBondContact O-N 3.35Å; L338-M340 VanDerWaalsContact C-N 3.27Å; L338-M340 PolarHBondContact O-N 3.3Å; M340-E342 VanDerWaalsContact C-N 3.32Å; M340-M343 PolarHBondContact O-N 3.41Å; M340-N344 PolarHBondContact O-N 2.87Å; M340-Y347 HydrophobicContact CB-CD1 4.01Å; M340-Y347 HydrophobicContact CB-CE1 4.1Å; M340-Y347 HydrophobicContact CB-CG 4.4Å; M340-Y347 HydrophobicContact CE-CE2 4.27Å; M340-Y347 HydrophobicContact CG-CD1 3.3Å; M340-Y347 HydrophobicContact CG-CD2 3.52Å; M340-Y347 HydrophobicContact CG-CE1 3.59Å; M340-Y347 HydrophobicContact CG-CE2 3.81Å; M340-Y347 HydrophobicContact CG-CG 3.25Å; M340-Y347 HydrophobicContact SD-CD2 4.16Å; M340-Y347 HydrophobicContact SD-CE2 4.49Å; M340-Y347 HydrophobicContact SD-CG 4.33Å |
| 341 | Q | 90.4 | Very high | 89.4 | Confident | 78 Ų | 78 | 73.4 Ų | 73.4 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.4 | -34.4 | 178.7 | -73.5 | -177.9 | -45 | 0 | 0 | 112.2 | I337 L338 N344 Y347 | I337-Q341 HydrophobicContact CG2-CG 4.3Å; I337-Q341 WeakPolarHBondContact O-CG 3.34Å; I337-Q341 PolarHBondContact O-N 2.93Å; L338-Q341 PolarHBondContact O-N 3.25Å; Q341-N344 CarbonylContact O-C 3.5Å; Q341-Y347 HydrophobicContact CG-CD1 4.12Å |
| 342 | E | 90.3 | Very high | 89.1 | Confident | 169 Ų | 169 | 73.2 Ų | 73.2 | 79% | 0.79 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.5 | -44.9 | 174.9 | -176.6 | 173.9 | -165.7 | 0 | 0 | 111.9 | L338 M340 | L338-E342 WeakPolarHBondContact O-CB 3.37Å; L338-E342 PolarHBondContact O-N 3Å; M340-E342 VanDerWaalsContact C-N 3.32Å |
| 343 | M | 88.1 | Confident | 88.9 | Confident | 82 Ų | 82 | 71.1 Ų | 71.1 | 40% | 0.404 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -80.6 | -32.2 | 179 | -70 | -170.5 | -66.9 | 0 | 0 | 113.7 | K274 L275 L278 K339 M340 | K274-M343 HydrophobicContact CB-CE 4.35Å; K274-M343 HydrophobicContact CB-SD 4.32Å; L275-M343 HydrophobicContact CD2-CB 3.7Å; L275-M343 HydrophobicContact CD2-CE 4.24Å; L278-M343 HydrophobicContact CD1-CE 3.08Å; L278-M343 HydrophobicContact CG-CE 4.16Å; K339-M343 PolarHBondContact O-N 3.16Å; M340-M343 PolarHBondContact O-N 3.41Å |
| 344 | N | 87 | Confident | 88.3 | Confident | 48 Ų | 48 | 78.7 Ų | 78.7 | 26% | 0.257 | 39% | 0.393 | S | S | . | . | trans | -131.7 | 101.7 | -179.7 | -174.6 | -1.9 | 0 | 0 | 0 | 111.5 | L275 M340 Q341 I346 Y347 | L275-N344 HydrophobicContact CD1-CB 4.19Å; L275-N344 HydrophobicContact CD2-CB 3.65Å; M340-N344 PolarHBondContact O-N 2.87Å; Q341-N344 CarbonylContact O-C 3.5Å; N344-I346 PolarHBondContact O-N 2.83Å; N344-I346 WeakPolarHBondContact OD1-CA 3.44Å; N344-I346 VanDerWaalsContact OD1-CB 3.31Å; N344-I346 WeakPolarHBondContact OD1-CB 3.44Å; N344-I346 PolarHBondContact OD1-N 3.05Å; N344-Y347 VanDerWaalsContact O-CB 3.26Å; N344-Y347 WeakPolarHBondContact O-CB 3.36Å; N344-Y347 PolarHBondContact O-N 3.48Å; N344-Y347 VanDerWaalsContact O-N 3.11Å | ||
| 345 | P | 88 | Confident | 87.7 | Confident | 119 Ų | 119 | 80.6 Ų | 80.6 | 77% | 0.773 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -15.2 | 178.7 | 28 | -34.7 | 0 | 0 | 0 | 113.5 | Y347 | P345-Y347 VanDerWaalsContact C-N 3.31Š|
| 346 | I | 90.7 | Very high | 86.7 | Confident | 142 Ų | 142 | 77.2 Ų | 77.2 | 73% | 0.728 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -14.6 | 177.4 | -54 | 172.4 | 0 | 0 | 0 | 110.9 | N344 K348 | N344-I346 PolarHBondContact O-N 2.83Å; N344-I346 WeakPolarHBondContact OD1-CA 3.44Å; N344-I346 VanDerWaalsContact OD1-CB 3.31Å; N344-I346 WeakPolarHBondContact OD1-CB 3.44Å; N344-I346 PolarHBondContact OD1-N 3.05Å; I346-K348 PolarHBondContact O-N 3.2Å |
| 347 | Y | 88.5 | Confident | 85.4 | Confident | 36 Ų | 36 | 83.1 Ų | 83.1 | 14% | 0.141 | 43% | 0.433 | C | S | . | . | trans | -62.2 | 126.8 | -177.2 | 178.2 | -105.9 | 0 | 0 | 0 | 112.2 | I337 M340 Q341 N344 P345 P349 | I337-Y347 HydrophobicContact CG2-CE1 4.35Å; M340-Y347 HydrophobicContact CB-CD1 4.01Å; M340-Y347 HydrophobicContact CB-CE1 4.1Å; M340-Y347 HydrophobicContact CB-CG 4.4Å; M340-Y347 HydrophobicContact CE-CE2 4.27Å; M340-Y347 HydrophobicContact CG-CD1 3.3Å; M340-Y347 HydrophobicContact CG-CD2 3.52Å; M340-Y347 HydrophobicContact CG-CE1 3.59Å; M340-Y347 HydrophobicContact CG-CE2 3.81Å; M340-Y347 HydrophobicContact CG-CG 3.25Å; M340-Y347 HydrophobicContact SD-CD2 4.16Å; M340-Y347 HydrophobicContact SD-CE2 4.49Å; M340-Y347 HydrophobicContact SD-CG 4.33Å; Q341-Y347 HydrophobicContact CG-CD1 4.12Å; N344-Y347 VanDerWaalsContact O-CB 3.26Å; N344-Y347 WeakPolarHBondContact O-CB 3.36Å; N344-Y347 PolarHBondContact O-N 3.48Å; N344-Y347 VanDerWaalsContact O-N 3.11Å; P345-Y347 VanDerWaalsContact C-N 3.31Å; Y347-P349 HydrophobicContact CD1-CG 4.39Å; Y347-P349 HydrophobicContact CE1-CB 4.34Å; Y347-P349 HydrophobicContact CE1-CG 4.19Å | ||
| 348 | K | 87.4 | Confident | 84 | Confident | 183 Ų | 183 | 89.3 Ų | 89.3 | 80% | 0.796 | 47% | 0.466 | S | S | * | . | trans | -101.5 | 114.9 | 174.1 | -67 | -179.1 | -177.2 | 177.3 | 0 | 109.3 | I346 | I346-K348 PolarHBondContact O-N 3.2Š| ||
| 349 | P | 87.7 | Confident | 83 | Confident | 43 Ų | 43 | 92.4 Ų | 92.4 | 28% | 0.279 | 47% | 0.472 | S | S | . | . | trans | -58.1 | 155 | 176.9 | -25.5 | 34.4 | 0 | 0 | 0 | 113.1 | I337 Y347 Y353 | I337-P349 HydrophobicContact CG2-CB 4.13Å; I337-P349 HydrophobicContact CG2-CG 3.94Å; Y347-P349 HydrophobicContact CD1-CG 4.39Å; Y347-P349 HydrophobicContact CE1-CB 4.34Å; Y347-P349 HydrophobicContact CE1-CG 4.19Å; P349-Y353 HydrophobicContact CB-CD1 3.49Å; P349-Y353 VanDerWaalsContact CB-CD1 3.49Å; P349-Y353 HydrophobicContact CB-CE1 4.03Å; P349-Y353 HydrophobicContact CB-CG 4.32Å; P349-Y353 HydrophobicContact CG-CD1 4.22Å; P349-Y353 HydrophobicContact CG-CE1 4.3Å | ||
| 350 | P | 84 | Confident | 82.5 | Confident | 33 Ų | 33 | 91 Ų | 91 | 21% | 0.214 | 47% | 0.467 | C | S | . | . | trans | -57.6 | 147 | 177 | -23.5 | 33.9 | 0 | 0 | 0 | 112.4 | I282 D352 Y353 | I282-P350 HydrophobicContact CG2-CG 3.94Å; P350-D352 PolarHBondContact O-N 3.02Å; P350-D352 VanDerWaalsContact O-N 3.15Å; P350-Y353 VanDerWaalsContact O-CB 3.24Å; P350-Y353 WeakPolarHBondContact O-CB 3.25Å; P350-Y353 PolarHBondContact O-N 3.08Å | ||
| 351 | S | 81.4 | Confident | 82.3 | Confident | 111 Ų | 111 | 93.8 Ų | 93.8 | 78% | 0.776 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -27.1 | -178 | 53.4 | 0 | 0 | 0 | 0 | 114.7 | Y353 | S351-Y353 VanDerWaalsContact C-N 3.25Å; S351-Y353 PolarHBondContact O-N 3.35Å |
| 352 | D | 82.8 | Confident | 82.4 | Confident | 79 Ų | 79 | 93.7 Ų | 93.7 | 42% | 0.422 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -6 | 176.2 | -58.2 | -47.5 | 0 | 0 | 0 | 113.2 | R290 R333 P350 K354 | R290-D352 IonicContact CZ-OD2 2.72Å; R290-D352 IonicContact NE-OD2 3.47Å; R290-D352 PolarHBondContact NE-OD2 3.48Å; R290-D352 IonicContact NH2-OD2 3.38Å; R290-D352 PolarHBondContact NH2-OD2 3.27Å; R333-D352 PolarHBondContact NH2-O 3.43Å; P350-D352 PolarHBondContact O-N 3.02Å; P350-D352 VanDerWaalsContact O-N 3.15Å; D352-K354 PolarHBondContact O-N 3.3Å |
| 353 | Y | 86.5 | Confident | 82.5 | Confident | 22 Ų | 22 | 89.5 Ų | 89.5 | 9% | 0.086 | 47% | 0.466 | C | S | . | . | trans | -82.8 | 115.5 | 177.1 | 170.5 | -107.9 | 0 | 0 | 0 | 109.8 | H334 I337 P349 P350 S351 P355 | H334-Y353 HydrophobicContact CB-CE2 4.06Å; H334-Y353 PolarHBondContact CE1-OH 3.12Å; H334-Y353 AromaticContact ND1-CE2 3.73Å; H334-Y353 AromaticContact ND1-CZ 3.64Å; H334-Y353 PolarHBondContact ND1-OH 3.35Å; I337-Y353 HydrophobicContact CD1-CD1 3.84Å; I337-Y353 HydrophobicContact CD1-CD2 3.36Å; I337-Y353 HydrophobicContact CD1-CE1 4.07Å; I337-Y353 HydrophobicContact CD1-CE2 3.66Å; I337-Y353 HydrophobicContact CD1-CG 3.43Å; I337-Y353 VanDerWaalsContact CD1-CG 3.43Å; I337-Y353 HydrophobicContact CG2-CD1 4.34Å; I337-Y353 HydrophobicContact CG2-CE1 3.73Å; P349-Y353 HydrophobicContact CB-CD1 3.49Å; P349-Y353 VanDerWaalsContact CB-CD1 3.49Å; P349-Y353 HydrophobicContact CB-CE1 4.03Å; P349-Y353 HydrophobicContact CB-CG 4.32Å; P349-Y353 HydrophobicContact CG-CD1 4.22Å; P349-Y353 HydrophobicContact CG-CE1 4.3Å; P350-Y353 VanDerWaalsContact O-CB 3.24Å; P350-Y353 WeakPolarHBondContact O-CB 3.25Å; P350-Y353 PolarHBondContact O-N 3.08Å; S351-Y353 VanDerWaalsContact C-N 3.25Å; S351-Y353 PolarHBondContact O-N 3.35Å; Y353-P355 HydrophobicContact CD1-CG 4.29Å; Y353-P355 HydrophobicContact CE1-CB 4.26Å; Y353-P355 HydrophobicContact CE1-CG 3.66Å | ||
| 354 | K | 81.1 | Confident | 82.7 | Confident | 176 Ų | 176 | 86.2 Ų | 86.2 | 77% | 0.765 | 45% | 0.451 | S | S | * | . | trans | -105.5 | 113.3 | 167.2 | -63.8 | -178.3 | -177.6 | 179.7 | 0 | 106 | D352 | D352-K354 PolarHBondContact O-N 3.3Š| ||
| 355 | P | 77.9 | Confident | 83 | Confident | 73 Ų | 73 | 90.6 Ų | 90.6 | 47% | 0.474 | 46% | 0.464 | S | S | . | . | trans | -50.1 | 130.9 | 172.6 | -22.7 | 29.6 | 0 | 0 | 0 | 108.8 | Y353 L357 | Y353-P355 HydrophobicContact CD1-CG 4.29Å; Y353-P355 HydrophobicContact CE1-CB 4.26Å; Y353-P355 HydrophobicContact CE1-CG 3.66Å; P355-L357 PolarHBondContact O-N 3.22Å; P355-L357 VanDerWaalsContact O-N 3.1Å | ||
| 356 | P | 70.8 | Confident | 83.1 | Confident | 48 Ų | 48 | 85.2 Ų | 85.2 | 31% | 0.312 | 43% | 0.429 | S | S | . | . | trans | -57.1 | 123.5 | 170.6 | 24.3 | -30 | 0 | 0 | 0 | 106.8 | H334 N358 | H334-P356 VanDerWaalsContact CD2-CG 3.43Å; H334-P356 WeakPolarHBondContact CD2-CG 3.43Å; H334-P356 VanDerWaalsContact CE1-CD 3.41Å; H334-P356 WeakPolarHBondContact CE1-CD 3.5Å; H334-P356 VanDerWaalsContact ND1-CD 3.31Å; H334-P356 WeakPolarHBondContact ND1-CD 3.47Å; H334-P356 VanDerWaalsContact NE2-CG 3.31Å; H334-P356 WeakPolarHBondContact NE2-CG 3.35Å; P356-N358 PolarHBondContact O-N 3.15Å | ||
| 357 | L | 65.7 | Low | 83 | Confident | 129 Ų | 129 | 80.1 Ų | 80.1 | 68% | 0.675 | 41% | 0.405 | S | S | * | . | trans | -71.4 | 72.7 | 166.8 | -83.3 | 83.5 | 0 | 0 | 0 | 106.9 | P355 R359 | P355-L357 PolarHBondContact O-N 3.22Å; P355-L357 VanDerWaalsContact O-N 3.1Å; L357-R359 PolarHBondContact O-N 2.76Å | ||
| 358 | N | 62.4 | Low | 82.9 | Confident | 129 Ų | 129 | 80.3 Ų | 80.3 | 69% | 0.69 | 41% | 0.407 | S | S | * | . | trans | -70 | 70.8 | 163.7 | -81.3 | -2 | 0 | 0 | 0 | 106.9 | P356 M360 | P356-N358 PolarHBondContact O-N 3.15Å; N358-M360 VanDerWaalsContact C-N 3.32Å; N358-M360 PolarHBondContact O-N 2.84Å | ||
| 359 | R | 68.5 | Low | 82.7 | Confident | 151 Ų | 151 | 77.9 Ų | 77.9 | 57% | 0.57 | 40% | 0.403 | S | S | * | . | trans | -66.7 | 103.9 | 161.2 | -68.5 | -176.5 | 179.8 | 133.9 | -0.6 | 104.7 | L357 S361 A432 | L357-R359 PolarHBondContact O-N 2.76Å; R359-S361 PolarHBondContact O-N 3.19Å; R359-A432 WeakPolarHBondContact CA-O 3.11Å | ||
| 360 | M | 81.4 | Confident | 82.7 | Confident | 57 Ų | 57 | 82.7 Ų | 82.7 | 28% | 0.281 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 136.8 | 170.3 | 54.9 | 172.6 | 72 | 0 | 0 | 108.5 | N358 T431 A432 A435 L438 | N358-M360 VanDerWaalsContact C-N 3.32Å; N358-M360 PolarHBondContact O-N 2.84Å; M360-T431 WeakPolarHBondContact O-CA 3.37Å; M360-A432 HydrophobicContact CG-CB 3.94Å; M360-A432 WeakPolarHBondContact CG-O 3.43Å; M360-A432 PolarHBondContact N-O 3.39Å; M360-A432 VanDerWaalsContact N-O 3.16Å; M360-A432 PolarHBondContact O-N 3.1Å; M360-A432 HydrophobicContact SD-CB 4.25Å; M360-A435 VanDerWaalsContact CE-CA 3.4Å; M360-A435 HydrophobicContact CE-CB 3.83Å; M360-A435 WeakPolarHBondContact SD-CA 3.44Å; M360-A435 HydrophobicContact SD-CB 4.27Å; M360-A435 PolarHBondContact SD-N 2.82Å; M360-A435 VanDerWaalsContact SD-N 3.36Å; M360-L438 HydrophobicContact CB-CD2 3.95Å; M360-L438 HydrophobicContact CG-CB 4.36Å; M360-L438 HydrophobicContact CG-CD2 3.85Å; M360-L438 HydrophobicContact SD-CB 3.6Å; M360-L438 HydrophobicContact SD-CD2 3.6Å; M360-L438 HydrophobicContact SD-CG 4.19Å |
| 361 | S | 88.5 | Confident | 82.6 | Confident | 62 Ų | 62 | 84.1 Ų | 84.1 | 43% | 0.434 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 134.2 | -174.1 | 63.4 | 0 | 0 | 0 | 0 | 110.4 | R359 Y429 I430 | R359-S361 PolarHBondContact O-N 3.19Å; S361-Y429 VanDerWaalsContact CB-OH 3.23Å; S361-Y429 WeakPolarHBondContact CB-OH 3.27Å; S361-Y429 PolarHBondContact OG-OH 2.65Å; S361-I430 CarbonylContact C-O 3.57Å; S361-I430 WeakPolarHBondContact CA-O 3.3Å |
| 362 | E | 91.1 | Very high | 82.7 | Confident | 75 Ų | 75 | 83.7 Ų | 83.7 | 35% | 0.35 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 144 | 179.2 | -167.3 | 163.7 | 165.3 | 0 | 0 | 110.4 | I430 L438 V442 | E362-I430 PolarHBondContact N-O 3.45Å; E362-I430 PolarHBondContact O-N 3.34Å; E362-L438 HydrophobicContact CB-CD1 4.01Å; E362-L438 HydrophobicContact CB-CD2 4.06Å; E362-L438 HydrophobicContact CB-CG 4.15Å; E362-V442 HydrophobicContact CB-CG2 4.22Å; E362-V442 VanDerWaalsContact CD-CG2 3.42Å; E362-V442 HydrophobicContact CG-CG2 4.01Å; E362-V442 WeakPolarHBondContact OE2-CG2 3.34Å |
| 363 | K | 92.5 | Very high | 82.8 | Confident | 81 Ų | 81 | 85.3 Ų | 85.3 | 35% | 0.352 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 114 | 179 | -67 | -174.7 | -178.9 | -164.8 | 0 | 108.7 | E424 Y429 | K363-E424 IonicContact NZ-OE1 2.7Å; K363-E424 PolarHBondContact NZ-OE1 3.13Å; K363-E424 IonicContact NZ-OE2 3.14Å; K363-E424 PolarHBondContact NZ-OE2 3.42Å; K363-Y429 HydrophobicContact CG-CD2 4.01Å |
| 364 | V | 93.4 | Very high | 82.7 | Confident | 14 Ų | 14 | 85.7 Ų | 85.7 | 9% | 0.085 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 114.4 | 173.9 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | H427 A428 I430 V442 I445 I449 | V364-H427 CarbonylContact O-C 3.57Å; V364-H427 WeakPolarHBondContact O-CA 3.37Å; V364-H427 WeakPolarHBondContact O-CB 3.35Å; V364-A428 HydrophobicContact CB-CB 4.48Å; V364-A428 PolarHBondContact N-O 3.45Å; V364-A428 PolarHBondContact O-N 2.86Å; V364-I430 HydrophobicContact CG2-CD1 3.75Å; V364-V442 HydrophobicContact CG2-CB 4.31Å; V364-V442 HydrophobicContact CG2-CG1 3.9Å; V364-V442 HydrophobicContact CG2-CG2 3.99Å; V364-I445 HydrophobicContact CG1-CG2 4.1Å; V364-I449 HydrophobicContact CG1-CD1 4.31Å |
| 365 | Y | 92.2 | Very high | 83.1 | Confident | 139 Ų | 139 | 82.8 Ų | 82.8 | 55% | 0.545 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 138.2 | -179.8 | -66.2 | -75.1 | 0 | 0 | 0 | 111.4 | P425 H427 | Y365-P425 HydrophobicContact CD1-CG 3.77Å; Y365-P425 HydrophobicContact CE1-CG 3.77Å; Y365-H427 HydrophobicContact CD1-CB 3.95Å; Y365-H427 HydrophobicContact CE1-CB 4.35Å |
| 366 | I | 91.6 | Very high | 83.6 | Confident | 7 Ų | 7 | 79.7 Ų | 79.7 | 4% | 0.036 | 40% | 0.4 | C | S | . | . | trans | -109 | 119.1 | -179 | -60.8 | 166.8 | 0 | 0 | 0 | 108.1 | Q368 F376 L380 L426 A428 I449 | I366-Q368 PolarHBondContact O-N 2.87Å; I366-F376 HydrophobicContact CG2-CB 3.53Å; I366-F376 HydrophobicContact CG2-CD1 4.25Å; I366-F376 HydrophobicContact CG2-CD2 3.76Å; I366-F376 HydrophobicContact CG2-CG 3.58Å; I366-L380 HydrophobicContact CD1-CD1 3.66Å; I366-L426 HydrophobicContact CB-CB 4.43Å; I366-L426 HydrophobicContact CB-CD2 3.95Å; I366-L426 HydrophobicContact CB-CG 4.09Å; I366-L426 HydrophobicContact CD1-CD2 4.16Å; I366-L426 HydrophobicContact CD1-CG 4.06Å; I366-L426 HydrophobicContact CG2-CD2 3.81Å; I366-L426 HydrophobicContact CG2-CG 4.49Å; I366-L426 PolarHBondContact N-O 3.1Å; I366-A428 HydrophobicContact CD1-CB 4.49Å; I366-I449 HydrophobicContact CG1-CD1 3.94Å | ||
| 367 | P | 87.7 | Confident | 84.6 | Confident | 35 Ų | 35 | 78.9 Ų | 78.9 | 23% | 0.227 | 40% | 0.395 | C | S | . | . | trans | -76.3 | 69.2 | -174.8 | 31.8 | -35.8 | 0 | 0 | 0 | 112.1 | D369 F376 I449 L453 | P367-D369 VanDerWaalsContact C-N 3.35Å; P367-F376 WeakPolarHBondContact O-CE2 3.32Å; P367-I449 HydrophobicContact CG-CG2 4.29Å; P367-L453 HydrophobicContact CG-CD1 4.18Å | ||
| 368 | Q | 86 | Confident | 85.8 | Confident | 40 Ų | 40 | 74.8 Ų | 74.8 | 19% | 0.187 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -24.1 | 174.4 | 71.4 | -179.1 | -6.6 | 0 | 0 | 113 | I366 E370 H371 P372 K404 L426 | I366-Q368 PolarHBondContact O-N 2.87Å; Q368-E370 VanDerWaalsContact C-N 3.35Å; Q368-H371 CarbonylContact O-C 3.59Å; Q368-P372 WeakPolarHBondContact O-CA 3.18Å; Q368-K404 PolarHBondContact NE2-O 3.39Å; Q368-K404 PolarHBondContact OE1-O 2.99Å; Q368-L426 HydrophobicContact CB-CD2 4.26Å; Q368-L426 HydrophobicContact CG-CB 4.14Å |
| 369 | D | 84.3 | Confident | 87.2 | Confident | 132 Ų | 132 | 69.2 Ų | 69.2 | 71% | 0.706 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -30.1 | -176.1 | -64.2 | -23.1 | 0 | 0 | 0 | 111.2 | P367 | P367-D369 VanDerWaalsContact C-N 3.35Š|
| 370 | E | 87 | Confident | 88.3 | Confident | 144 Ų | 144 | 62.3 Ų | 62.3 | 67% | 0.673 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -34.9 | 176.4 | -64.7 | 174.4 | -177.4 | 0 | 0 | 111.8 | Q368 | Q368-E370 VanDerWaalsContact C-N 3.35Š|
| 371 | H | 82.6 | Confident | 88.9 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 29% | 0.287 | 33% | 0.329 | S | S | . | . | trans | -132.3 | 70.4 | -176 | -67.5 | -72.6 | 0 | 0 | 0 | 112.4 | Q368 E373 L374 F376 L453 | Q368-H371 CarbonylContact O-C 3.59Å; H371-E373 WeakPolarHBondContact CA-OE2 3.47Å; H371-E373 IonicContact CE1-OE1 3.15Å; H371-E373 IonicContact CG-OE1 2.78Å; H371-E373 IonicContact ND1-OE1 2.65Å; H371-E373 PolarHBondContact ND1-OE1 3Å; H371-E373 PolarHBondContact O-N 3.22Å; H371-L374 HydrophobicContact CB-CB 4.38Å; H371-L374 HydrophobicContact CB-CD1 4.06Å; H371-L374 HydrophobicContact CB-CG 4.32Å; H371-L374 PolarHBondContact O-N 3.06Å; H371-F376 HydrophobicContact CB-CE2 4.25Å; H371-F376 HydrophobicContact CB-CZ 4.22Å; H371-L453 HydrophobicContact CB-CD2 4.47Å; H371-L453 WeakPolarHBondContact CD2-CD2 3.37Å | ||
| 372 | P | 83.7 | Confident | 89 | Confident | 102 Ų | 102 | 60.1 Ų | 60.1 | 66% | 0.662 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -18.3 | 179 | 28.2 | -36.3 | 0 | 0 | 0 | 113.3 | Q368 L374 | Q368-P372 WeakPolarHBondContact O-CA 3.18Å; P372-L374 VanDerWaalsContact C-N 3.3Å |
| 373 | E | 84.5 | Confident | 89.1 | Confident | 114 Ų | 114 | 56.9 Ų | 56.9 | 53% | 0.533 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -24.1 | 176 | 68.4 | -77 | -179 | 0 | 0 | 113.3 | H371 | H371-E373 WeakPolarHBondContact CA-OE2 3.47Å; H371-E373 IonicContact CE1-OE1 3.15Å; H371-E373 IonicContact CG-OE1 2.78Å; H371-E373 IonicContact ND1-OE1 2.65Å; H371-E373 PolarHBondContact ND1-OE1 3Å; H371-E373 PolarHBondContact O-N 3.22Å |
| 374 | L | 84.7 | Confident | 89 | Confident | 29 Ų | 29 | 62 Ų | 62 | 15% | 0.152 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -94.9 | 126.3 | -176.5 | -66 | 178.4 | 0 | 0 | 0 | 112 | H371 P372 F376 A452 L453 E457 | H371-L374 HydrophobicContact CB-CB 4.38Å; H371-L374 HydrophobicContact CB-CD1 4.06Å; H371-L374 HydrophobicContact CB-CG 4.32Å; H371-L374 PolarHBondContact O-N 3.06Å; P372-L374 VanDerWaalsContact C-N 3.3Å; L374-F376 HydrophobicContact CB-CD2 4.48Å; L374-F376 HydrophobicContact CB-CE1 4.42Å; L374-F376 HydrophobicContact CB-CE2 3.93Å; L374-F376 HydrophobicContact CB-CZ 3.9Å; L374-F376 HydrophobicContact CD1-CE1 4.45Å; L374-F376 HydrophobicContact CD1-CZ 4.05Å; L374-F376 WeakPolarHBondContact O-CD2 3.48Å; L374-F376 PolarHBondContact O-N 2.92Å; L374-F376 VanDerWaalsContact O-N 3.15Å; L374-A452 WeakPolarHBondContact CD1-O 3.31Å; L374-L453 HydrophobicContact CD1-CD2 4.31Å; L374-E457 HydrophobicContact CD2-CG 4.02Å |
| 375 | N | 88.7 | Confident | 88.9 | Confident | 116 Ų | 116 | 62 Ų | 62 | 62% | 0.62 | 32% | 0.32 | S | S | * | . | trans | -87.9 | 74.6 | 178.8 | -71.2 | -61.7 | 0 | 0 | 0 | 112.5 | V377 G378 L379 | N375-V377 VanDerWaalsContact C-N 3.31Å; N375-V377 PolarHBondContact O-N 3.07Å; N375-G378 PolarHBondContact O-N 3.32Å; N375-L379 PolarHBondContact O-N 3.23Å | ||
| 376 | F | 89.3 | Confident | 89 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.6 | -40.6 | 178.3 | -60.1 | -76.3 | 0 | 0 | 0 | 113.2 | I366 P367 H371 L374 G378 L379 L380 I449 A452 L453 | I366-F376 HydrophobicContact CG2-CB 3.53Å; I366-F376 HydrophobicContact CG2-CD1 4.25Å; I366-F376 HydrophobicContact CG2-CD2 3.76Å; I366-F376 HydrophobicContact CG2-CG 3.58Å; P367-F376 WeakPolarHBondContact O-CE2 3.32Å; H371-F376 HydrophobicContact CB-CE2 4.25Å; H371-F376 HydrophobicContact CB-CZ 4.22Å; L374-F376 HydrophobicContact CB-CD2 4.48Å; L374-F376 HydrophobicContact CB-CE1 4.42Å; L374-F376 HydrophobicContact CB-CE2 3.93Å; L374-F376 HydrophobicContact CB-CZ 3.9Å; L374-F376 HydrophobicContact CD1-CE1 4.45Å; L374-F376 HydrophobicContact CD1-CZ 4.05Å; L374-F376 WeakPolarHBondContact O-CD2 3.48Å; L374-F376 PolarHBondContact O-N 2.92Å; L374-F376 VanDerWaalsContact O-N 3.15Å; F376-G378 VanDerWaalsContact C-N 3.31Å; F376-G378 PolarHBondContact O-N 3.26Å; F376-L379 PolarHBondContact O-N 3.12Å; F376-L380 WeakPolarHBondContact O-CG 3.44Å; F376-L380 PolarHBondContact O-N 3.46Å; F376-I449 HydrophobicContact CE1-CG2 4.34Å; F376-A452 HydrophobicContact CD1-CB 4.09Å; F376-A452 HydrophobicContact CE1-CB 3.87Å; F376-L453 HydrophobicContact CE1-CD2 4.12Å; F376-L453 HydrophobicContact CE1-CG 4.3Å; F376-L453 HydrophobicContact CZ-CD2 3.76Å; F376-L453 HydrophobicContact CZ-CG 4.42Å |
| 377 | V | 90.8 | Very high | 89.1 | Confident | 32 Ų | 32 | 58.4 Ų | 58.4 | 19% | 0.194 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.6 | -40 | 179.2 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | N375 I381 I401 L426 | N375-V377 VanDerWaalsContact C-N 3.31Å; N375-V377 PolarHBondContact O-N 3.07Å; V377-I381 HydrophobicContact CG1-CD1 3.56Å; V377-I381 HydrophobicContact CG1-CG1 4.32Å; V377-I381 WeakPolarHBondContact O-CB 3.43Å; V377-I381 WeakPolarHBondContact O-CG1 3.33Å; V377-I381 PolarHBondContact O-N 3.46Å; V377-I381 VanDerWaalsContact O-N 3.08Å; V377-I401 HydrophobicContact CG1-CD1 4.2Å; V377-I401 HydrophobicContact CG2-CG2 4.39Å; V377-L426 HydrophobicContact CG2-CD1 3.95Å; V377-L426 HydrophobicContact CG2-CD2 3.64Å; V377-L426 HydrophobicContact CG2-CG 4.41Å |
| 378 | G | 90.9 | Very high | 89.4 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 44% | 0.443 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N375 F376 G382 | N375-G378 PolarHBondContact O-N 3.32Å; F376-G378 VanDerWaalsContact C-N 3.31Å; F376-G378 PolarHBondContact O-N 3.26Å; G378-G382 PolarHBondContact O-N 3.12Å |
| 379 | L | 91.2 | Very high | 89.8 | Confident | 12 Ų | 12 | 62.1 Ų | 62.1 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.2 | -42.5 | 179.9 | -172.1 | 65.1 | 0 | 0 | 0 | 112.4 | N375 F376 I448 A452 L462 R463 Q466 | N375-L379 PolarHBondContact O-N 3.23Å; F376-L379 PolarHBondContact O-N 3.12Å; L379-I448 HydrophobicContact CD2-CG2 3.92Å; L379-I448 HydrophobicContact CG-CG2 4.04Å; L379-A452 HydrophobicContact CD2-CB 3.65Å; L379-L462 HydrophobicContact CD1-CD2 4Å; L379-L462 HydrophobicContact CD1-CG 4.11Å; L379-L462 HydrophobicContact CG-CD2 4.3Å; L379-R463 HydrophobicContact CD1-CB 3.97Å; L379-R463 HydrophobicContact CD1-CG 4.49Å; L379-Q466 PolarHBondContact O-NE2 3.36Å |
| 380 | L | 92.8 | Very high | 90.3 | Very high | 6 Ų | 6 | 60.1 Ų | 60.1 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70 | -36.6 | 178.3 | -71.2 | 170 | 0 | 0 | 0 | 112.4 | I366 F376 L388 I401 I445 I448 | I366-L380 HydrophobicContact CD1-CD1 3.66Å; F376-L380 WeakPolarHBondContact O-CG 3.44Å; F376-L380 PolarHBondContact O-N 3.46Å; L380-L388 PolarHBondContact O-N 2.83Å; L380-I401 HydrophobicContact CB-CD1 4.1Å; L380-I401 HydrophobicContact CD1-CD1 4.47Å; L380-I445 HydrophobicContact CD2-CG2 4.28Å; L380-I448 HydrophobicContact CD2-CB 4.21Å; L380-I448 HydrophobicContact CD2-CD1 4.39Å; L380-I448 HydrophobicContact CD2-CG2 3.87Å |
| 381 | I | 93 | Very high | 90.6 | Very high | 59 Ų | 59 | 53.8 Ų | 53.8 | 30% | 0.303 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -76.7 | -47 | 179.4 | -63.3 | 176.7 | 0 | 0 | 0 | 111.4 | V377 G385 T387 L388 I401 | V377-I381 HydrophobicContact CG1-CD1 3.56Å; V377-I381 HydrophobicContact CG1-CG1 4.32Å; V377-I381 WeakPolarHBondContact O-CB 3.43Å; V377-I381 WeakPolarHBondContact O-CG1 3.33Å; V377-I381 PolarHBondContact O-N 3.46Å; V377-I381 VanDerWaalsContact O-N 3.08Å; I381-G385 CarbonylContact O-C 3.38Å; I381-G385 VanDerWaalsContact O-CA 3.22Å; I381-G385 WeakPolarHBondContact O-CA 3.48Å; I381-T387 PolarHBondContact O-N 2.76Å; I381-L388 PolarHBondContact O-N 2.66Å; I381-L388 VanDerWaalsContact O-N 3.14Å; I381-I401 HydrophobicContact CD1-CD1 4.03Å; I381-I401 HydrophobicContact CG1-CD1 3.66Å |
| 382 | G | 91.6 | Very high | 91.1 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 13% | 0.134 | 28% | 0.279 | C | S | . | . | trans | 69.7 | 179.1 | -173 | 0 | 0 | 0 | 0 | 0 | 114.1 | G378 R384 G385 | G378-G382 PolarHBondContact O-N 3.12Å; G382-R384 PolarHBondContact O-N 3.22Å; G382-G385 PolarHBondContact O-N 2.98Å | ||
| 383 | P | 93 | Very high | 91.6 | Very high | 8 Ų | 8 | 55.3 Ų | 55.3 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -61.6 | 129.7 | 179.5 | 25.2 | -32.8 | 0 | 0 | 0 | 111 | G385 N386 E469 L470 L473 | P383-G385 PolarHBondContact O-N 3.16Å; P383-N386 VanDerWaalsContact O-CB 3.31Å; P383-N386 WeakPolarHBondContact O-CB 3.16Å; P383-N386 PolarHBondContact O-N 2.95Å; P383-E469 HydrophobicContact CG-CB 4.03Å; P383-E469 HydrophobicContact CG-CG 3.91Å; P383-E469 WeakPolarHBondContact CG-OE2 3.49Å; P383-L470 HydrophobicContact CB-CB 4Å; P383-L470 HydrophobicContact CB-CD1 4.4Å; P383-L473 HydrophobicContact CB-CD1 4.29Å |
| 384 | R | 89.7 | Confident | 92.1 | Very high | 189 Ų | 189 | 54.8 Ų | 54.8 | 71% | 0.713 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | 52.5 | 18.4 | -176.6 | -62.7 | -171.1 | 175.9 | 165.5 | 1.9 | 115.2 | G382 N386 L473 | G382-R384 PolarHBondContact O-N 3.22Å; R384-N386 VanDerWaalsContact C-N 3.3Å; R384-L473 HydrophobicContact CG-CD1 4.15Å |
| 385 | G | 91.4 | Very high | 92.5 | Very high | 12 Ų | 12 | 54.2 Ų | 54.2 | 12% | 0.124 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | 73.9 | 18.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | I381 G382 P383 K389 | I381-G385 CarbonylContact O-C 3.38Å; I381-G385 VanDerWaalsContact O-CA 3.22Å; I381-G385 WeakPolarHBondContact O-CA 3.48Å; G382-G385 PolarHBondContact O-N 2.98Å; P383-G385 PolarHBondContact O-N 3.16Å; G385-K389 WeakPolarHBondContact O-CB 3.4Å; G385-K389 VanDerWaalsContact O-CG 3.23Å; G385-K389 WeakPolarHBondContact O-CG 3.4Å; G385-K389 PolarHBondContact O-N 3.4Å; G385-K389 VanDerWaalsContact O-N 3.07Å |
| 386 | N | 93.6 | Very high | 92.6 | Very high | 58 Ų | 58 | 54.8 Ų | 54.8 | 31% | 0.31 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66 | -45 | -177.8 | -167.7 | 17.6 | 0 | 0 | 0 | 111.5 | P383 R384 K389 Q390 E469 | P383-N386 VanDerWaalsContact O-CB 3.31Å; P383-N386 WeakPolarHBondContact O-CB 3.16Å; P383-N386 PolarHBondContact O-N 2.95Å; R384-N386 VanDerWaalsContact C-N 3.3Å; N386-K389 PolarHBondContact O-N 3.25Å; N386-Q390 WeakPolarHBondContact O-CB 3.32Å; N386-Q390 PolarHBondContact O-N 2.9Å; N386-E469 PolarHBondContact ND2-OE1 2.88Å |
| 387 | T | 93.9 | Very high | 92.7 | Very high | 13 Ų | 13 | 54.9 Ų | 54.9 | 8% | 0.08 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 179.3 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | I381 K389 Q390 L391 Q466 | I381-T387 PolarHBondContact O-N 2.76Å; T387-K389 PolarHBondContact O-N 2.82Å; T387-Q390 WeakPolarHBondContact O-CB 3.38Å; T387-Q390 PolarHBondContact O-N 2.9Å; T387-Q390 VanDerWaalsContact O-N 3.14Å; T387-L391 HydrophobicContact CG2-CD1 4.41Å; T387-L391 WeakPolarHBondContact O-CG 3.21Å; T387-L391 PolarHBondContact O-N 3.49Å; T387-Q466 PolarHBondContact OG1-NE2 3.49Å |
| 388 | L | 94.1 | Very high | 92.8 | Very high | 31 Ų | 31 | 60.4 Ų | 60.4 | 16% | 0.162 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 175.3 | -176.9 | 67.8 | 0 | 0 | 0 | 111.9 | L380 I381 Q390 L391 E392 I399 | L380-L388 PolarHBondContact O-N 2.83Å; I381-L388 PolarHBondContact O-N 2.66Å; I381-L388 VanDerWaalsContact O-N 3.14Å; L388-Q390 PolarHBondContact O-N 2.89Å; L388-L391 PolarHBondContact O-N 3.16Å; L388-E392 WeakPolarHBondContact O-CG 3.43Å; L388-E392 PolarHBondContact O-N 2.88Å; L388-I399 HydrophobicContact CD1-CB 3.88Å; L388-I399 HydrophobicContact CD1-CG2 3.71Å |
| 389 | K | 94.7 | Very high | 92.9 | Very high | 122 Ų | 122 | 58.8 Ų | 58.8 | 53% | 0.53 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.3 | -27.3 | 176.8 | -75 | 175.2 | -179.1 | 177.9 | 0 | 113 | G385 N386 T387 R393 | G385-K389 WeakPolarHBondContact O-CB 3.4Å; G385-K389 VanDerWaalsContact O-CG 3.23Å; G385-K389 WeakPolarHBondContact O-CG 3.4Å; G385-K389 PolarHBondContact O-N 3.4Å; G385-K389 VanDerWaalsContact O-N 3.07Å; N386-K389 PolarHBondContact O-N 3.25Å; T387-K389 PolarHBondContact O-N 2.82Å; K389-R393 WeakPolarHBondContact O-CB 3.24Å; K389-R393 VanDerWaalsContact O-CG 3.24Å; K389-R393 WeakPolarHBondContact O-CG 3.37Å; K389-R393 PolarHBondContact O-N 3Å; K389-R393 PolarHBondContact O-NE 3.35Å |
| 390 | Q | 94.3 | Very high | 93 | Very high | 90 Ų | 90 | 60.2 Ų | 60.2 | 42% | 0.421 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -72.3 | -46.9 | 173.8 | -176.8 | 172.2 | 11.3 | 0 | 0 | 110.1 | N386 T387 L388 E392 R393 D394 | N386-Q390 WeakPolarHBondContact O-CB 3.32Å; N386-Q390 PolarHBondContact O-N 2.9Å; T387-Q390 WeakPolarHBondContact O-CB 3.38Å; T387-Q390 PolarHBondContact O-N 2.9Å; T387-Q390 VanDerWaalsContact O-N 3.14Å; L388-Q390 PolarHBondContact O-N 2.89Å; Q390-E392 VanDerWaalsContact C-N 3.3Å; Q390-E392 PolarHBondContact O-N 2.78Å; Q390-R393 PolarHBondContact O-N 2.91Å; Q390-D394 WeakPolarHBondContact CG-OD2 3.47Å; Q390-D394 WeakPolarHBondContact O-CB 3.22Å; Q390-D394 PolarHBondContact O-N 2.9Å |
| 391 | L | 93.7 | Very high | 92.9 | Very high | 11 Ų | 11 | 60.9 Ų | 60.9 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.9 | -43.5 | 174.6 | -69.7 | 168.2 | 0 | 0 | 0 | 112.2 | T387 L388 R393 T395 I399 R444 I448 | T387-L391 HydrophobicContact CG2-CD1 4.41Å; T387-L391 WeakPolarHBondContact O-CG 3.21Å; T387-L391 PolarHBondContact O-N 3.49Å; L388-L391 PolarHBondContact O-N 3.16Å; L391-R393 VanDerWaalsContact C-N 3.34Å; L391-R393 PolarHBondContact O-N 3.44Å; L391-T395 WeakPolarHBondContact O-CB 3.31Å; L391-T395 WeakPolarHBondContact O-CG2 3.12Å; L391-T395 PolarHBondContact O-N 2.89Å; L391-T395 VanDerWaalsContact O-N 3.12Å; L391-T395 PolarHBondContact O-OG1 3.44Å; L391-I399 HydrophobicContact CB-CD1 3.83Å; L391-R444 HydrophobicContact CD2-CB 4.37Å; L391-R444 HydrophobicContact CD2-CG 3.4Å; L391-I448 HydrophobicContact CD1-CD1 3.8Å; L391-I448 HydrophobicContact CD2-CD1 3.96Å; L391-I448 HydrophobicContact CG-CD1 4.47Å |
| 392 | E | 94.2 | Very high | 92.7 | Very high | 53 Ų | 53 | 62.5 Ų | 62.5 | 25% | 0.248 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.3 | -37.1 | 175.3 | -71.4 | -174.4 | 144.9 | 0 | 0 | 112.8 | L388 Q390 N396 T397 I399 | L388-E392 WeakPolarHBondContact O-CG 3.43Å; L388-E392 PolarHBondContact O-N 2.88Å; Q390-E392 VanDerWaalsContact C-N 3.3Å; Q390-E392 PolarHBondContact O-N 2.78Å; E392-N396 CarbonylContact O-C 3.47Å; E392-N396 VanDerWaalsContact O-CA 3.22Å; E392-N396 WeakPolarHBondContact O-CA 3.32Å; E392-N396 PolarHBondContact O-N 2.93Å; E392-T397 VanDerWaalsContact CA-O 3.29Å; E392-T397 WeakPolarHBondContact CA-O 3.14Å; E392-T397 VanDerWaalsContact CB-O 3.26Å; E392-T397 WeakPolarHBondContact CB-O 3.26Å; E392-T397 WeakPolarHBondContact CG-O 3.31Å; E392-T397 PolarHBondContact O-N 2.83Å; E392-I399 HydrophobicContact CG-CB 4.07Å; E392-I399 HydrophobicContact CG-CD1 4.06Å; E392-I399 HydrophobicContact CG-CG1 4.07Å; E392-I399 PolarHBondContact OE1-N 2.96Å |
| 393 | R | 94.2 | Very high | 92.5 | Very high | 144 Ų | 144 | 62.4 Ų | 62.4 | 54% | 0.543 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -73.7 | -43.7 | 178.4 | -79.9 | 178.5 | -70 | 139.2 | -5.6 | 112.6 | K389 Q390 L391 T395 N396 | K389-R393 WeakPolarHBondContact O-CB 3.24Å; K389-R393 VanDerWaalsContact O-CG 3.24Å; K389-R393 WeakPolarHBondContact O-CG 3.37Å; K389-R393 PolarHBondContact O-N 3Å; K389-R393 PolarHBondContact O-NE 3.35Å; Q390-R393 PolarHBondContact O-N 2.91Å; L391-R393 VanDerWaalsContact C-N 3.34Å; L391-R393 PolarHBondContact O-N 3.44Å; R393-T395 VanDerWaalsContact C-N 3.3Å; R393-T395 PolarHBondContact O-N 2.84Å; R393-N396 PolarHBondContact O-N 3.21Å; R393-N396 PolarHBondContact O-OD1 3.44Å |
| 394 | D | 94.2 | Very high | 92.1 | Very high | 103 Ų | 103 | 67.5 Ų | 67.5 | 55% | 0.551 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -69.3 | -34.8 | -175.8 | -64.9 | -7.3 | 0 | 0 | 0 | 110.7 | Q390 | Q390-D394 WeakPolarHBondContact CG-OD2 3.47Å; Q390-D394 WeakPolarHBondContact O-CB 3.22Å; Q390-D394 PolarHBondContact O-N 2.9Å |
| 395 | T | 92.5 | Very high | 91.6 | Very high | 16 Ų | 16 | 61.2 Ų | 61.2 | 10% | 0.098 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -96.5 | -7.5 | -179.7 | 63.6 | 0 | 0 | 0 | 0 | 113.1 | L391 R393 T397 S437 A441 | L391-T395 WeakPolarHBondContact O-CB 3.31Å; L391-T395 WeakPolarHBondContact O-CG2 3.12Å; L391-T395 PolarHBondContact O-N 2.89Å; L391-T395 VanDerWaalsContact O-N 3.12Å; L391-T395 PolarHBondContact O-OG1 3.44Å; R393-T395 VanDerWaalsContact C-N 3.3Å; R393-T395 PolarHBondContact O-N 2.84Å; T395-T397 WeakPolarHBondContact O-CG2 3.34Å; T395-T397 PolarHBondContact O-N 3.08Å; T395-T397 VanDerWaalsContact O-N 3.12Å; T395-T397 PolarHBondContact OG1-N 2.88Å; T395-T397 PolarHBondContact OG1-OG1 3.05Å; T395-S437 WeakPolarHBondContact O-CB 3.5Å; T395-A441 HydrophobicContact CG2-CB 3.92Å |
| 396 | N | 91.2 | Very high | 91.3 | Very high | 129 Ų | 129 | 62 Ų | 62 | 69% | 0.69 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 28.4 | -169.9 | -63.1 | -53.5 | 0 | 0 | 0 | 113.9 | E392 R393 | E392-N396 CarbonylContact O-C 3.47Å; E392-N396 VanDerWaalsContact O-CA 3.22Å; E392-N396 WeakPolarHBondContact O-CA 3.32Å; E392-N396 PolarHBondContact O-N 2.93Å; R393-N396 PolarHBondContact O-N 3.21Å; R393-N396 PolarHBondContact O-OD1 3.44Å |
| 397 | T | 92.5 | Very high | 90.7 | Very high | 8 Ų | 8 | 62.6 Ų | 62.6 | 5% | 0.049 | 31% | 0.311 | C | S | . | . | trans | -108.6 | 163.5 | 177 | 69.4 | 0 | 0 | 0 | 0 | 111 | E392 T395 I430 A432 S437 A441 | E392-T397 VanDerWaalsContact CA-O 3.29Å; E392-T397 WeakPolarHBondContact CA-O 3.14Å; E392-T397 VanDerWaalsContact CB-O 3.26Å; E392-T397 WeakPolarHBondContact CB-O 3.26Å; E392-T397 WeakPolarHBondContact CG-O 3.31Å; E392-T397 PolarHBondContact O-N 2.83Å; T395-T397 WeakPolarHBondContact O-CG2 3.34Å; T395-T397 PolarHBondContact O-N 3.08Å; T395-T397 VanDerWaalsContact O-N 3.12Å; T395-T397 PolarHBondContact OG1-N 2.88Å; T395-T397 PolarHBondContact OG1-OG1 3.05Å; T397-I430 HydrophobicContact CG2-CG2 4.3Å; T397-A432 HydrophobicContact CG2-CB 3.68Å; T397-S437 VanDerWaalsContact CG2-O 3.22Å; T397-S437 WeakPolarHBondContact CG2-O 3.23Å; T397-A441 HydrophobicContact CG2-CB 3.83Å; T397-A441 WeakPolarHBondContact OG1-CB 3.37Å | ||
| 398 | R | 92.6 | Very high | 90 | Very high | 149 Ų | 149 | 70.1 Ų | 70.1 | 56% | 0.562 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122.5 | 171.9 | 176.4 | -177.9 | -168.7 | -173.8 | 3.6 | 109.3 | I400 I430 T431 | R398-I400 HydrophobicContact CG-CD1 4.5Å; R398-I400 HydrophobicContact CG-CG1 4.35Å; R398-I430 CarbonylContact O-C 3.33Å; R398-I430 WeakPolarHBondContact O-CA 3.41Å; R398-T431 WeakPolarHBondContact CB-OG1 3.24Å; R398-T431 PolarHBondContact N-O 3.48Å; R398-T431 PolarHBondContact O-N 3.21Å; R398-T431 PolarHBondContact O-OG1 3.1Å |
| 399 | I | 93.5 | Very high | 88.7 | Confident | 8 Ų | 8 | 77.6 Ų | 77.6 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 123.3 | -171.8 | -57.1 | 163.7 | 0 | 0 | 0 | 108.8 | L388 L391 E392 A428 I430 I445 | L388-I399 HydrophobicContact CD1-CB 3.88Å; L388-I399 HydrophobicContact CD1-CG2 3.71Å; L391-I399 HydrophobicContact CB-CD1 3.83Å; E392-I399 HydrophobicContact CG-CB 4.07Å; E392-I399 HydrophobicContact CG-CD1 4.06Å; E392-I399 HydrophobicContact CG-CG1 4.07Å; E392-I399 PolarHBondContact OE1-N 2.96Å; I399-A428 HydrophobicContact CG2-CB 4.48Å; I399-I430 HydrophobicContact CG1-CG1 4.45Å; I399-I430 HydrophobicContact CG1-CG2 4.3Å; I399-I445 HydrophobicContact CD1-CD1 4.08Å; I399-I445 HydrophobicContact CG1-CD1 4.32Å; I399-I445 HydrophobicContact CG2-CD1 3.92Å |
| 400 | I | 91.7 | Very high | 87.3 | Confident | 43 Ų | 43 | 75.4 Ų | 75.4 | 22% | 0.221 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 121 | -178.4 | -52.6 | 176.2 | 0 | 0 | 0 | 109.4 | R398 R402 Y429 | R398-I400 HydrophobicContact CG-CD1 4.5Å; R398-I400 HydrophobicContact CG-CG1 4.35Å; I400-R402 HydrophobicContact CG2-CG 4.11Å; I400-R402 PolarHBondContact O-N 3Å; I400-Y429 PolarHBondContact N-O 3.27Å; I400-Y429 WeakPolarHBondContact O-CB 3.45Å; I400-Y429 PolarHBondContact O-N 2.84Å |
| 401 | I | 91.9 | Very high | 85.9 | Confident | 19 Ų | 19 | 79.3 Ų | 79.3 | 10% | 0.097 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 123 | 175.3 | -54.4 | 179.2 | 0 | 0 | 0 | 109.2 | V377 L380 I381 S406 L426 | V377-I401 HydrophobicContact CG1-CD1 4.2Å; V377-I401 HydrophobicContact CG2-CG2 4.39Å; L380-I401 HydrophobicContact CB-CD1 4.1Å; L380-I401 HydrophobicContact CD1-CD1 4.47Å; I381-I401 HydrophobicContact CD1-CD1 4.03Å; I381-I401 HydrophobicContact CG1-CD1 3.66Å; I401-S406 PolarHBondContact O-OG 3.09Å; I401-L426 HydrophobicContact CG2-CD1 3.73Å |
| 402 | R | 88.9 | Confident | 84.3 | Confident | 93 Ų | 93 | 82.9 Ų | 82.9 | 35% | 0.351 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 168 | -176.7 | -69.9 | -84.5 | 178.8 | 78.8 | 1.9 | 109.7 | I400 H427 | I400-R402 HydrophobicContact CG2-CG 4.11Å; I400-R402 PolarHBondContact O-N 3Å; R402-H427 WeakPolarHBondContact CB-NE2 3.31Å; R402-H427 PolarHBondContact N-O 3.32Å; R402-H427 PolarHBondContact O-N 3.43Å |
| 403 | G | 87 | Confident | 82.6 | Confident | 12 Ų | 12 | 84.1 Ų | 84.1 | 12% | 0.124 | 45% | 0.449 | C | S | . | . | S | Bend | trans | 95.2 | 180 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | G405 S406 E424 | G403-G405 PolarHBondContact O-N 3.44Å; G403-S406 WeakPolarHBondContact O-CB 3.26Å; G403-S406 PolarHBondContact O-N 3.4Å; G403-S406 VanDerWaalsContact O-N 3.12Å; G403-E424 CarbonylContact C-O 3.48Å; G403-E424 WeakPolarHBondContact CA-O 3.33Å |
| 404 | K | 83.4 | Confident | 81.1 | Confident | 115 Ų | 115 | 87 Ų | 87 | 50% | 0.5 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 127 | -178.6 | -67.6 | 174.2 | -179.2 | 163.5 | 0 | 110.9 | Q368 S406 E422 D423 E424 L426 | Q368-K404 PolarHBondContact NE2-O 3.39Å; Q368-K404 PolarHBondContact OE1-O 2.99Å; K404-S406 VanDerWaalsContact C-N 3.34Å; K404-E422 WeakPolarHBondContact CG-O 3.14Å; K404-D423 WeakPolarHBondContact CE-O 3.48Å; K404-D423 PolarHBondContact NZ-O 3.49Å; K404-D423 VanDerWaalsContact NZ-O 3.1Å; K404-E424 PolarHBondContact N-O 3.14Å; K404-L426 WeakPolarHBondContact O-CB 3.45Å |
| 405 | G | 81 | Confident | 79.3 | Confident | 57 Ų | 57 | 92.2 Ų | 92.2 | 59% | 0.588 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | -5.8 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | G403 V407 | G403-G405 PolarHBondContact O-N 3.44Å; G405-V407 VanDerWaalsContact C-N 3.31Å; G405-V407 PolarHBondContact O-N 2.9Å |
| 406 | S | 84 | Confident | 77.1 | Confident | 28 Ų | 28 | 101.3 Ų | 101.3 | 20% | 0.196 | 52% | 0.519 | C | S | . | . | trans | -61.2 | -38 | 178.7 | 171.9 | 0 | 0 | 0 | 0 | 112.8 | I401 G403 K404 | I401-S406 PolarHBondContact O-OG 3.09Å; G403-S406 WeakPolarHBondContact O-CB 3.26Å; G403-S406 PolarHBondContact O-N 3.4Å; G403-S406 VanDerWaalsContact O-N 3.12Å; K404-S406 VanDerWaalsContact C-N 3.34Å | ||
| 407 | V | 81.6 | Confident | 75.6 | Confident | 71 Ų | 71 | 97.3 Ų | 97.3 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -99.7 | 119.3 | -179.5 | -173 | 0 | 0 | 0 | 0 | 109.9 | G405 E409 K411 I412 | G405-V407 VanDerWaalsContact C-N 3.31Å; G405-V407 PolarHBondContact O-N 2.9Å; V407-E409 PolarHBondContact O-N 3.13Å; V407-E409 VanDerWaalsContact O-N 3.12Å; V407-K411 HydrophobicContact CG1-CB 4Å; V407-I412 HydrophobicContact CB-CD1 3.95Å; V407-I412 HydrophobicContact CB-CG1 3.89Å; V407-I412 HydrophobicContact CG1-CD1 4.04Å; V407-I412 HydrophobicContact CG1-CG1 3.49Å; V407-I412 VanDerWaalsContact CG1-CG1 3.49Å |
| 408 | K | 79.7 | Confident | 74 | Confident | 171 Ų | 171 | 102.5 Ų | 102.5 | 74% | 0.743 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 120.8 | 172.9 | -172.6 | 172.7 | -176.3 | 173.8 | 0 | 110.1 | G410 K411 | K408-G410 PolarHBondContact O-N 2.84Å; K408-G410 VanDerWaalsContact O-N 3.16Å; K408-K411 PolarHBondContact O-N 2.74Å |
| 409 | E | 66.6 | Low | 72.4 | Confident | 187 Ų | 187 | 100.5 Ų | 100.5 | 87% | 0.874 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.6 | 120.8 | 178.8 | -62.5 | -178.2 | 167.2 | 0 | 0 | 109.6 | V407 | V407-E409 PolarHBondContact O-N 3.13Å; V407-E409 VanDerWaalsContact O-N 3.12Å |
| 410 | G | 64.4 | Low | 70.9 | Confident | 76 Ų | 76 | 105.7 Ų | 105.7 | 78% | 0.784 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 116.5 | -16.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | K408 | K408-G410 PolarHBondContact O-N 2.84Å; K408-G410 VanDerWaalsContact O-N 3.16Å |
| 411 | K | 64.7 | Low | 69.5 | Low | 173 Ų | 173 | 104.8 Ų | 104.8 | 75% | 0.752 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -88.9 | -15.8 | 170.6 | -72.9 | -175 | -179.4 | -179 | 0 | 114.2 | V407 K408 | V407-K411 HydrophobicContact CG1-CB 4Å; K408-K411 PolarHBondContact O-N 2.74Å |
| 412 | I | 61.2 | Low | 68.3 | Low | 86 Ų | 86 | 108 Ų | 108 | 44% | 0.441 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | -75.6 | -24.2 | -175.3 | -60.2 | 162 | 0 | 0 | 0 | 112.1 | V407 K414 R415 | V407-I412 HydrophobicContact CB-CD1 3.95Å; V407-I412 HydrophobicContact CB-CG1 3.89Å; V407-I412 HydrophobicContact CG1-CD1 4.04Å; V407-I412 HydrophobicContact CG1-CG1 3.49Å; V407-I412 VanDerWaalsContact CG1-CG1 3.49Å; I412-K414 PolarHBondContact O-N 2.66Å; I412-R415 PolarHBondContact O-N 3.28Å |
| 413 | G | 58.8 | Low | 67.6 | Low | 78 Ų | 78 | 110.4 Ų | 110.4 | 80% | 0.804 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -66.2 | 5.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 414 | K | 60.8 | Low | 67.5 | Low | 204 Ų | 204 | 113 Ų | 113 | 89% | 0.887 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -119.4 | -5.1 | 176.8 | -74.7 | -172.1 | 178.3 | -174.1 | 0 | 114.8 | I412 | I412-K414 PolarHBondContact O-N 2.66Š|
| 415 | R | 57.7 | Low | 67.8 | Low | 213 Ų | 213 | 110 Ų | 110 | 80% | 0.804 | 61% | 0.612 | S | S | * | * | trans | -115.8 | 103.9 | 170.9 | -82.5 | -161.3 | 178.3 | -88.3 | 1.9 | 108.7 | I412 G417 | I412-R415 PolarHBondContact O-N 3.28Å; R415-G417 PolarHBondContact O-N 3.48Å | ||
| 416 | E | 45.3 | Very low | 68.2 | Low | 208 Ų | 208 | 107.4 Ų | 107.4 | 97% | 0.972 | 59% | 0.585 | S | S | * | * | trans | -79 | 99.7 | 177 | -164.3 | 152.6 | -171.7 | 0 | 0 | 108.4 | ||||
| 417 | G | 60.5 | Low | 68.6 | Low | 44 Ų | 44 | 106.3 Ų | 106.3 | 45% | 0.454 | 58% | 0.576 | S | S | . | * | S | Bend | trans | 158.8 | 124.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | R415 M419 | R415-G417 PolarHBondContact O-N 3.48Å; G417-M419 PolarHBondContact O-N 3.41Å; G417-M419 VanDerWaalsContact O-N 3.08Å |
| 418 | P | 59.2 | Low | 69.2 | Low | 118 Ų | 118 | 103 Ų | 103 | 77% | 0.766 | 56% | 0.556 | S | S | * | * | trans | -55.2 | 117.5 | 171.2 | -19.6 | 30.5 | 0 | 0 | 0 | 108.1 | ||||
| 419 | M | 59.5 | Low | 69.8 | Low | 106 Ų | 106 | 97.6 Ų | 97.6 | 52% | 0.522 | 53% | 0.532 | S | S | . | . | trans | -66.7 | 129 | 174.3 | -76.7 | -76.1 | -70.3 | 0 | 0 | 107.5 | G417 G421 E422 | G417-M419 PolarHBondContact O-N 3.41Å; G417-M419 VanDerWaalsContact O-N 3.08Å; M419-G421 PolarHBondContact O-N 2.98Å; M419-E422 HydrophobicContact CB-CG 4.24Å; M419-E422 WeakPolarHBondContact CB-OE1 3.46Å; M419-E422 PolarHBondContact N-OE1 2.8Å; M419-E422 PolarHBondContact O-N 3.32Å | ||
| 420 | P | 60.7 | Low | 71.1 | Confident | 117 Ų | 117 | 88.7 Ų | 88.7 | 76% | 0.76 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 111.3 | 176.9 | 21.4 | -29.5 | 0 | 0 | 0 | 108.8 | ||
| 421 | G | 62.2 | Low | 72.4 | Confident | 25 Ų | 25 | 85.9 Ų | 85.9 | 26% | 0.258 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 121.3 | 3.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | M419 D423 E424 | M419-G421 PolarHBondContact O-N 2.98Å; G421-D423 PolarHBondContact O-N 3.3Å; G421-E424 PolarHBondContact O-N 3.46Å |
| 422 | E | 68 | Low | 73.6 | Confident | 87 Ų | 87 | 77.9 Ų | 77.9 | 41% | 0.407 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -22.3 | 173.7 | -73.8 | 174.1 | -162.1 | 0 | 0 | 113.8 | K404 M419 E424 | K404-E422 WeakPolarHBondContact CG-O 3.14Å; M419-E422 HydrophobicContact CB-CG 4.24Å; M419-E422 WeakPolarHBondContact CB-OE1 3.46Å; M419-E422 PolarHBondContact N-OE1 2.8Å; M419-E422 PolarHBondContact O-N 3.32Å; E422-E424 VanDerWaalsContact C-N 3.34Å |
| 423 | D | 73.8 | Confident | 74.8 | Confident | 142 Ų | 142 | 77.7 Ų | 77.7 | 76% | 0.759 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -19.7 | 179 | -66.4 | -44.1 | 0 | 0 | 0 | 113.3 | K404 G421 | K404-D423 WeakPolarHBondContact CE-O 3.48Å; K404-D423 PolarHBondContact NZ-O 3.49Å; K404-D423 VanDerWaalsContact NZ-O 3.1Å; G421-D423 PolarHBondContact O-N 3.3Å |
| 424 | E | 84.7 | Confident | 76.2 | Confident | 66 Ų | 66 | 78.4 Ų | 78.4 | 31% | 0.308 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -77.3 | 144.6 | -179.5 | -64.3 | -173.1 | 167.2 | 0 | 0 | 110.9 | K363 G403 K404 G421 E422 H427 | K363-E424 IonicContact NZ-OE1 2.7Å; K363-E424 PolarHBondContact NZ-OE1 3.13Å; K363-E424 IonicContact NZ-OE2 3.14Å; K363-E424 PolarHBondContact NZ-OE2 3.42Å; G403-E424 CarbonylContact C-O 3.48Å; G403-E424 WeakPolarHBondContact CA-O 3.33Å; K404-E424 PolarHBondContact N-O 3.14Å; G421-E424 PolarHBondContact O-N 3.46Å; E422-E424 VanDerWaalsContact C-N 3.34Å; E424-H427 IonicContact OE2-CE1 3.95Å; E424-H427 PolarHBondContact OE2-CE1 2.78Å; E424-H427 IonicContact OE2-ND1 3.13Å; E424-H427 IonicContact OE2-NE2 3.88Å; E424-H427 PolarHBondContact OE2-NE2 2.79Å |
| 425 | P | 88.7 | Confident | 77.5 | Confident | 54 Ų | 54 | 71.3 Ų | 71.3 | 35% | 0.351 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 162.1 | 173.8 | 27.5 | -35 | 0 | 0 | 0 | 110.8 | Y365 H427 | Y365-P425 HydrophobicContact CD1-CG 3.77Å; Y365-P425 HydrophobicContact CE1-CG 3.77Å; P425-H427 PolarHBondContact O-N 3.35Å; P425-H427 VanDerWaalsContact O-N 3.16Å; P425-H427 PolarHBondContact O-ND1 2.97Å |
| 426 | L | 91.3 | Very high | 79 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.01 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -56.3 | 123.1 | -180 | -174.5 | 71.1 | 0 | 0 | 0 | 110.4 | I366 Q368 V377 I401 K404 | I366-L426 HydrophobicContact CB-CB 4.43Å; I366-L426 HydrophobicContact CB-CD2 3.95Å; I366-L426 HydrophobicContact CB-CG 4.09Å; I366-L426 HydrophobicContact CD1-CD2 4.16Å; I366-L426 HydrophobicContact CD1-CG 4.06Å; I366-L426 HydrophobicContact CG2-CD2 3.81Å; I366-L426 HydrophobicContact CG2-CG 4.49Å; I366-L426 PolarHBondContact N-O 3.1Å; Q368-L426 HydrophobicContact CB-CD2 4.26Å; Q368-L426 HydrophobicContact CG-CB 4.14Å; V377-L426 HydrophobicContact CG2-CD1 3.95Å; V377-L426 HydrophobicContact CG2-CD2 3.64Å; V377-L426 HydrophobicContact CG2-CG 4.41Å; I401-L426 HydrophobicContact CG2-CD1 3.73Å; K404-L426 WeakPolarHBondContact O-CB 3.45Å |
| 427 | H | 91.7 | Very high | 81.2 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.019 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 148.3 | -179.8 | 62.6 | -84.9 | 0 | 0 | 0 | 111.4 | V364 Y365 R402 E424 P425 | V364-H427 CarbonylContact O-C 3.57Å; V364-H427 WeakPolarHBondContact O-CA 3.37Å; V364-H427 WeakPolarHBondContact O-CB 3.35Å; Y365-H427 HydrophobicContact CD1-CB 3.95Å; Y365-H427 HydrophobicContact CE1-CB 4.35Å; R402-H427 WeakPolarHBondContact CB-NE2 3.31Å; R402-H427 PolarHBondContact N-O 3.32Å; R402-H427 PolarHBondContact O-N 3.43Å; E424-H427 IonicContact OE2-CE1 3.95Å; E424-H427 PolarHBondContact OE2-CE1 2.78Å; E424-H427 IonicContact OE2-ND1 3.13Å; E424-H427 IonicContact OE2-NE2 3.88Å; E424-H427 PolarHBondContact OE2-NE2 2.79Å; P425-H427 PolarHBondContact O-N 3.35Å; P425-H427 VanDerWaalsContact O-N 3.16Å; P425-H427 PolarHBondContact O-ND1 2.97Å |
| 428 | A | 93 | Very high | 82.7 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 120.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109 | V364 I366 I399 I445 | V364-A428 HydrophobicContact CB-CB 4.48Å; V364-A428 PolarHBondContact N-O 3.45Å; V364-A428 PolarHBondContact O-N 2.86Å; I366-A428 HydrophobicContact CD1-CB 4.49Å; I399-A428 HydrophobicContact CG2-CB 4.48Å; A428-I445 HydrophobicContact CB-CD1 4.32Å; A428-I445 HydrophobicContact CB-CG2 4.42Å |
| 429 | Y | 93.1 | Very high | 84.3 | Confident | 59 Ų | 59 | 58.1 Ų | 58.1 | 23% | 0.231 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 111 | 173.6 | -177.9 | -101.4 | 0 | 0 | 0 | 109.1 | S361 K363 I400 T431 | S361-Y429 VanDerWaalsContact CB-OH 3.23Å; S361-Y429 WeakPolarHBondContact CB-OH 3.27Å; S361-Y429 PolarHBondContact OG-OH 2.65Å; K363-Y429 HydrophobicContact CG-CD2 4.01Å; I400-Y429 PolarHBondContact N-O 3.27Å; I400-Y429 WeakPolarHBondContact O-CB 3.45Å; I400-Y429 PolarHBondContact O-N 2.84Å; Y429-T431 HydrophobicContact CD1-CG2 3.84Å; Y429-T431 HydrophobicContact CE1-CG2 3.15Å |
| 430 | I | 94 | Very high | 85.9 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 134.8 | -176.7 | -50.6 | 164.5 | 0 | 0 | 0 | 107.7 | S361 E362 V364 T397 R398 I399 L438 A441 V442 I445 | S361-I430 CarbonylContact C-O 3.57Å; S361-I430 WeakPolarHBondContact CA-O 3.3Å; E362-I430 PolarHBondContact N-O 3.45Å; E362-I430 PolarHBondContact O-N 3.34Å; V364-I430 HydrophobicContact CG2-CD1 3.75Å; T397-I430 HydrophobicContact CG2-CG2 4.3Å; R398-I430 CarbonylContact O-C 3.33Å; R398-I430 WeakPolarHBondContact O-CA 3.41Å; I399-I430 HydrophobicContact CG1-CG1 4.45Å; I399-I430 HydrophobicContact CG1-CG2 4.3Å; I430-L438 HydrophobicContact CB-CD1 3.99Å; I430-L438 HydrophobicContact CG2-CD1 3.66Å; I430-A441 HydrophobicContact CD1-CB 4.4Å; I430-A441 HydrophobicContact CG2-CB 3.91Å; I430-V442 HydrophobicContact CD1-CB 4.4Å; I430-V442 HydrophobicContact CD1-CG2 3.57Å; I430-I445 HydrophobicContact CD1-CD1 3.49Å; I430-I445 VanDerWaalsContact CD1-CD1 3.49Å; I430-I445 HydrophobicContact CG1-CD1 3.82Å |
| 431 | T | 91.5 | Very high | 87.5 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 10% | 0.104 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 132 | 172.8 | 56.1 | 0 | 0 | 0 | 0 | 110.5 | M360 R398 Y429 | M360-T431 WeakPolarHBondContact O-CA 3.37Å; R398-T431 WeakPolarHBondContact CB-OG1 3.24Å; R398-T431 PolarHBondContact N-O 3.48Å; R398-T431 PolarHBondContact O-N 3.21Å; R398-T431 PolarHBondContact O-OG1 3.1Å; Y429-T431 HydrophobicContact CD1-CG2 3.84Å; Y429-T431 HydrophobicContact CE1-CG2 3.15Å |
| 432 | A | 90.2 | Very high | 89.1 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 163.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R359 M360 T397 S437 L438 | R359-A432 WeakPolarHBondContact CA-O 3.11Å; M360-A432 HydrophobicContact CG-CB 3.94Å; M360-A432 WeakPolarHBondContact CG-O 3.43Å; M360-A432 PolarHBondContact N-O 3.39Å; M360-A432 VanDerWaalsContact N-O 3.16Å; M360-A432 PolarHBondContact O-N 3.1Å; M360-A432 HydrophobicContact SD-CB 4.25Å; T397-A432 HydrophobicContact CG2-CB 3.68Å; A432-S437 WeakPolarHBondContact CB-OG 3.31Å; A432-L438 HydrophobicContact CB-CB 3.92Å; A432-L438 HydrophobicContact CB-CD1 4.06Å |
| 433 | S | 86.4 | Confident | 90.4 | Very high | 81 Ų | 81 | 52.4 Ų | 52.4 | 57% | 0.566 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -81.4 | -33.9 | 165.5 | 37.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 434 | D | 87.7 | Confident | 91.3 | Very high | 93 Ų | 93 | 52 Ų | 52 | 50% | 0.497 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -125 | 141.9 | -164 | -48.7 | -61.7 | 0 | 0 | 0 | 112.1 | E436 S437 L438 | D434-E436 PolarHBondContact O-N 2.77Å; D434-S437 PolarHBondContact O-N 2.78Å; D434-S437 PolarHBondContact O-OG 3.16Å; D434-L438 PolarHBondContact O-N 3.41Å; D434-L438 VanDerWaalsContact O-N 3.14Å |
| 435 | A | 88 | Confident | 91.7 | Very high | 55 Ų | 55 | 49 Ų | 49 | 46% | 0.455 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M360 S437 L438 Q439 | M360-A435 VanDerWaalsContact CE-CA 3.4Å; M360-A435 HydrophobicContact CE-CB 3.83Å; M360-A435 WeakPolarHBondContact SD-CA 3.44Å; M360-A435 HydrophobicContact SD-CB 4.27Å; M360-A435 PolarHBondContact SD-N 2.82Å; M360-A435 VanDerWaalsContact SD-N 3.36Å; A435-S437 VanDerWaalsContact C-N 3.34Å; A435-S437 PolarHBondContact O-N 3.04Å; A435-L438 PolarHBondContact O-N 2.74Å; A435-Q439 WeakPolarHBondContact O-CG 3.48Å; A435-Q439 PolarHBondContact O-N 3.15Å; A435-Q439 VanDerWaalsContact O-N 3.11Å |
| 436 | E | 90.1 | Very high | 92 | Very high | 158 Ų | 158 | 49.4 Ų | 49.4 | 74% | 0.738 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -65.7 | -38.9 | -179.1 | -59.5 | -179.5 | 169.5 | 0 | 0 | 111.6 | D434 Q439 S440 | D434-E436 PolarHBondContact O-N 2.77Å; E436-Q439 PolarHBondContact O-N 3.36Å; E436-S440 WeakPolarHBondContact O-CB 3.41Å; E436-S440 PolarHBondContact O-N 2.72Å; E436-S440 PolarHBondContact O-OG 3.36Å |
| 437 | S | 91.3 | Very high | 92 | Very high | 17 Ų | 17 | 51.1 Ų | 51.1 | 12% | 0.119 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.8 | -37.1 | 177.9 | 70.7 | 0 | 0 | 0 | 0 | 112.3 | T395 T397 A432 D434 A435 A441 | T395-S437 WeakPolarHBondContact O-CB 3.5Å; T397-S437 VanDerWaalsContact CG2-O 3.22Å; T397-S437 WeakPolarHBondContact CG2-O 3.23Å; A432-S437 WeakPolarHBondContact CB-OG 3.31Å; D434-S437 PolarHBondContact O-N 2.78Å; D434-S437 PolarHBondContact O-OG 3.16Å; A435-S437 VanDerWaalsContact C-N 3.34Å; A435-S437 PolarHBondContact O-N 3.04Å; S437-A441 WeakPolarHBondContact O-CB 3.41Å; S437-A441 PolarHBondContact O-N 3.11Å; S437-A441 VanDerWaalsContact O-N 3.1Å |
| 438 | L | 92 | Very high | 92.1 | Very high | 15 Ų | 15 | 51.3 Ų | 51.3 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.4 | -49.5 | 175.7 | -172.7 | 69.8 | 0 | 0 | 0 | 111.1 | M360 E362 I430 A432 D434 A435 A441 V442 | M360-L438 HydrophobicContact CB-CD2 3.95Å; M360-L438 HydrophobicContact CG-CB 4.36Å; M360-L438 HydrophobicContact CG-CD2 3.85Å; M360-L438 HydrophobicContact SD-CB 3.6Å; M360-L438 HydrophobicContact SD-CD2 3.6Å; M360-L438 HydrophobicContact SD-CG 4.19Å; E362-L438 HydrophobicContact CB-CD1 4.01Å; E362-L438 HydrophobicContact CB-CD2 4.06Å; E362-L438 HydrophobicContact CB-CG 4.15Å; I430-L438 HydrophobicContact CB-CD1 3.99Å; I430-L438 HydrophobicContact CG2-CD1 3.66Å; A432-L438 HydrophobicContact CB-CB 3.92Å; A432-L438 HydrophobicContact CB-CD1 4.06Å; D434-L438 PolarHBondContact O-N 3.41Å; D434-L438 VanDerWaalsContact O-N 3.14Å; A435-L438 PolarHBondContact O-N 2.74Å; L438-A441 PolarHBondContact O-N 3.5Å; L438-V442 VanDerWaalsContact O-CG2 3.26Å; L438-V442 WeakPolarHBondContact O-CG2 3.42Å; L438-V442 PolarHBondContact O-N 2.91Å |
| 439 | Q | 93.3 | Very high | 92 | Very high | 116 Ų | 116 | 51.9 Ų | 51.9 | 54% | 0.542 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 178.8 | -70.8 | 175.6 | -1.1 | 0 | 0 | 111.5 | A435 E436 A441 V442 E443 | A435-Q439 WeakPolarHBondContact O-CG 3.48Å; A435-Q439 PolarHBondContact O-N 3.15Å; A435-Q439 VanDerWaalsContact O-N 3.11Å; E436-Q439 PolarHBondContact O-N 3.36Å; Q439-A441 VanDerWaalsContact C-N 3.26Å; Q439-A441 PolarHBondContact O-N 3.11Å; Q439-V442 PolarHBondContact O-N 2.94Å; Q439-V442 VanDerWaalsContact O-N 3.13Å; Q439-E443 WeakPolarHBondContact O-CG 3.41Å; Q439-E443 PolarHBondContact O-N 3.2Å |
| 440 | S | 93.4 | Very high | 91.8 | Very high | 59 Ų | 59 | 53.7 Ų | 53.7 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.7 | -38.8 | 176.1 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | E436 R444 | E436-S440 WeakPolarHBondContact O-CB 3.41Å; E436-S440 PolarHBondContact O-N 2.72Å; E436-S440 PolarHBondContact O-OG 3.36Å; S440-R444 WeakPolarHBondContact O-CB 3.4Å; S440-R444 PolarHBondContact O-N 2.82Å; S440-R444 VanDerWaalsContact O-N 3.09Å |
| 441 | A | 93.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70 | -40.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | T395 T397 I430 S437 L438 Q439 R444 I445 | T395-A441 HydrophobicContact CG2-CB 3.92Å; T397-A441 HydrophobicContact CG2-CB 3.83Å; T397-A441 WeakPolarHBondContact OG1-CB 3.37Å; I430-A441 HydrophobicContact CD1-CB 4.4Å; I430-A441 HydrophobicContact CG2-CB 3.91Å; S437-A441 WeakPolarHBondContact O-CB 3.41Å; S437-A441 PolarHBondContact O-N 3.11Å; S437-A441 VanDerWaalsContact O-N 3.1Å; L438-A441 PolarHBondContact O-N 3.5Å; Q439-A441 VanDerWaalsContact C-N 3.26Å; Q439-A441 PolarHBondContact O-N 3.11Å; A441-R444 PolarHBondContact O-N 3.23Å; A441-I445 WeakPolarHBondContact O-CB 3.33Å; A441-I445 WeakPolarHBondContact O-CD1 3.43Å; A441-I445 WeakPolarHBondContact O-CG1 3.43Å; A441-I445 PolarHBondContact O-N 2.97Å |
| 442 | V | 94.7 | Very high | 91.4 | Very high | 21 Ų | 21 | 57.2 Ų | 57.2 | 13% | 0.127 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 176.6 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | E362 V364 I430 L438 Q439 R444 I445 T446 | E362-V442 HydrophobicContact CB-CG2 4.22Å; E362-V442 VanDerWaalsContact CD-CG2 3.42Å; E362-V442 HydrophobicContact CG-CG2 4.01Å; E362-V442 WeakPolarHBondContact OE2-CG2 3.34Å; V364-V442 HydrophobicContact CG2-CB 4.31Å; V364-V442 HydrophobicContact CG2-CG1 3.9Å; V364-V442 HydrophobicContact CG2-CG2 3.99Å; I430-V442 HydrophobicContact CD1-CB 4.4Å; I430-V442 HydrophobicContact CD1-CG2 3.57Å; L438-V442 VanDerWaalsContact O-CG2 3.26Å; L438-V442 WeakPolarHBondContact O-CG2 3.42Å; L438-V442 PolarHBondContact O-N 2.91Å; Q439-V442 PolarHBondContact O-N 2.94Å; Q439-V442 VanDerWaalsContact O-N 3.13Å; V442-R444 VanDerWaalsContact C-N 3.33Å; V442-R444 PolarHBondContact O-N 2.89Å; V442-I445 PolarHBondContact O-N 3.11Å; V442-T446 WeakPolarHBondContact O-CB 3.44Å; V442-T446 PolarHBondContact O-N 3.36Å; V442-T446 PolarHBondContact O-OG1 3.45Å |
| 443 | E | 94.8 | Very high | 91.3 | Very high | 134 Ų | 134 | 60.3 Ų | 60.3 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.4 | -44.7 | 176.5 | -73.4 | 177.4 | -172.9 | 0 | 0 | 111.3 | Q439 I445 T446 S447 | Q439-E443 WeakPolarHBondContact O-CG 3.41Å; Q439-E443 PolarHBondContact O-N 3.2Å; E443-I445 PolarHBondContact O-N 3.4Å; E443-T446 PolarHBondContact O-N 3.27Å; E443-S447 VanDerWaalsContact O-CB 3.31Å; E443-S447 WeakPolarHBondContact O-CB 3.3Å; E443-S447 PolarHBondContact O-N 2.93Å |
| 444 | R | 93 | Very high | 91.2 | Very high | 135 Ų | 135 | 62.7 Ų | 62.7 | 51% | 0.509 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.1 | -41.2 | -179.1 | -165.7 | 61.7 | 172.8 | 166.8 | -0.3 | 112.7 | L391 S440 A441 V442 I448 | L391-R444 HydrophobicContact CD2-CB 4.37Å; L391-R444 HydrophobicContact CD2-CG 3.4Å; S440-R444 WeakPolarHBondContact O-CB 3.4Å; S440-R444 PolarHBondContact O-N 2.82Å; S440-R444 VanDerWaalsContact O-N 3.09Å; A441-R444 PolarHBondContact O-N 3.23Å; V442-R444 VanDerWaalsContact C-N 3.33Å; V442-R444 PolarHBondContact O-N 2.89Å; R444-I448 WeakPolarHBondContact O-CG1 3.19Å; R444-I448 PolarHBondContact O-N 2.87Å; R444-I448 VanDerWaalsContact O-N 3.16Å |
| 445 | I | 94.2 | Very high | 90.9 | Very high | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66 | -44.7 | 176 | -72.2 | 163.2 | 0 | 0 | 0 | 110.3 | V364 L380 I399 A428 I430 A441 V442 E443 S447 I448 I449 | V364-I445 HydrophobicContact CG1-CG2 4.1Å; L380-I445 HydrophobicContact CD2-CG2 4.28Å; I399-I445 HydrophobicContact CD1-CD1 4.08Å; I399-I445 HydrophobicContact CG1-CD1 4.32Å; I399-I445 HydrophobicContact CG2-CD1 3.92Å; A428-I445 HydrophobicContact CB-CD1 4.32Å; A428-I445 HydrophobicContact CB-CG2 4.42Å; I430-I445 HydrophobicContact CD1-CD1 3.49Å; I430-I445 VanDerWaalsContact CD1-CD1 3.49Å; I430-I445 HydrophobicContact CG1-CD1 3.82Å; A441-I445 WeakPolarHBondContact O-CB 3.33Å; A441-I445 WeakPolarHBondContact O-CD1 3.43Å; A441-I445 WeakPolarHBondContact O-CG1 3.43Å; A441-I445 PolarHBondContact O-N 2.97Å; V442-I445 PolarHBondContact O-N 3.11Å; E443-I445 PolarHBondContact O-N 3.4Å; I445-S447 VanDerWaalsContact C-N 3.32Å; I445-S447 PolarHBondContact O-N 2.73Å; I445-I448 PolarHBondContact O-N 2.88Å; I445-I449 HydrophobicContact CG2-CD1 3.78Å; I445-I449 HydrophobicContact CG2-CG1 4.48Å; I445-I449 WeakPolarHBondContact O-CG1 3.49Å; I445-I449 PolarHBondContact O-N 3.22Å |
| 446 | T | 93.7 | Very high | 90.4 | Very high | 62 Ų | 62 | 61.1 Ų | 61.1 | 38% | 0.38 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 178.2 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | V442 E443 I448 I449 Q450 | V442-T446 WeakPolarHBondContact O-CB 3.44Å; V442-T446 PolarHBondContact O-N 3.36Å; V442-T446 PolarHBondContact O-OG1 3.45Å; E443-T446 PolarHBondContact O-N 3.27Å; T446-I448 PolarHBondContact O-N 3.36Å; T446-I449 PolarHBondContact O-N 3.2Å; T446-Q450 WeakPolarHBondContact O-CB 3.48Å; T446-Q450 PolarHBondContact O-N 2.97Å |
| 447 | S | 92.9 | Very high | 89.7 | Confident | 37 Ų | 37 | 58 Ų | 58 | 26% | 0.259 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 175 | -178.5 | 0 | 0 | 0 | 0 | 112.5 | E443 I445 Q450 Q451 | E443-S447 VanDerWaalsContact O-CB 3.31Å; E443-S447 WeakPolarHBondContact O-CB 3.3Å; E443-S447 PolarHBondContact O-N 2.93Å; I445-S447 VanDerWaalsContact C-N 3.32Å; I445-S447 PolarHBondContact O-N 2.73Å; S447-Q450 PolarHBondContact O-N 3.36Å; S447-Q451 WeakPolarHBondContact O-CB 3.19Å; S447-Q451 VanDerWaalsContact O-CG 3.25Å; S447-Q451 WeakPolarHBondContact O-CG 3.36Å; S447-Q451 PolarHBondContact O-N 3Å |
| 448 | I | 92 | Very high | 88.7 | Confident | 8 Ų | 8 | 61.2 Ų | 61.2 | 4% | 0.041 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.2 | -39.6 | 176.5 | -66.6 | 166.2 | 0 | 0 | 0 | 111.3 | L379 L380 L391 R444 I445 T446 A452 L462 | L379-I448 HydrophobicContact CD2-CG2 3.92Å; L379-I448 HydrophobicContact CG-CG2 4.04Å; L380-I448 HydrophobicContact CD2-CB 4.21Å; L380-I448 HydrophobicContact CD2-CD1 4.39Å; L380-I448 HydrophobicContact CD2-CG2 3.87Å; L391-I448 HydrophobicContact CD1-CD1 3.8Å; L391-I448 HydrophobicContact CD2-CD1 3.96Å; L391-I448 HydrophobicContact CG-CD1 4.47Å; R444-I448 WeakPolarHBondContact O-CG1 3.19Å; R444-I448 PolarHBondContact O-N 2.87Å; R444-I448 VanDerWaalsContact O-N 3.16Å; I445-I448 PolarHBondContact O-N 2.88Å; T446-I448 PolarHBondContact O-N 3.36Å; I448-A452 WeakPolarHBondContact O-CB 3.41Å; I448-A452 PolarHBondContact O-N 3.37Å; I448-L462 HydrophobicContact CD1-CD2 4.5Å; I448-L462 HydrophobicContact CG1-CD2 4.24Å; I448-L462 HydrophobicContact CG2-CD2 4.02Å |
| 449 | I | 91.5 | Very high | 88.2 | Confident | 14 Ų | 14 | 66.5 Ų | 66.5 | 7% | 0.072 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 176.5 | -65.8 | 165.4 | 0 | 0 | 0 | 109.9 | V364 I366 P367 F376 I445 T446 A452 L453 | V364-I449 HydrophobicContact CG1-CD1 4.31Å; I366-I449 HydrophobicContact CG1-CD1 3.94Å; P367-I449 HydrophobicContact CG-CG2 4.29Å; F376-I449 HydrophobicContact CE1-CG2 4.34Å; I445-I449 HydrophobicContact CG2-CD1 3.78Å; I445-I449 HydrophobicContact CG2-CG1 4.48Å; I445-I449 WeakPolarHBondContact O-CG1 3.49Å; I445-I449 PolarHBondContact O-N 3.22Å; T446-I449 PolarHBondContact O-N 3.2Å; I449-A452 WeakPolarHBondContact O-CB 3.4Å; I449-A452 PolarHBondContact O-N 3.2Å; I449-A452 VanDerWaalsContact O-N 3.07Å; I449-L453 HydrophobicContact CG2-CD1 4.16Å; I449-L453 WeakPolarHBondContact O-CG 3.38Å; I449-L453 PolarHBondContact O-N 2.9Å; I449-L453 VanDerWaalsContact O-N 3.08Å |
| 450 | Q | 89.9 | Confident | 87.8 | Confident | 97 Ų | 97 | 61.4 Ų | 61.4 | 45% | 0.453 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 177.9 | -174.1 | 174.6 | 12.3 | 0 | 0 | 111.8 | T446 S447 A452 L453 E454 | T446-Q450 WeakPolarHBondContact O-CB 3.48Å; T446-Q450 PolarHBondContact O-N 2.97Å; S447-Q450 PolarHBondContact O-N 3.36Å; Q450-A452 PolarHBondContact O-N 2.82Å; Q450-L453 PolarHBondContact O-N 3.45Å; Q450-E454 HydrophobicContact CG-CG 4.14Å; Q450-E454 VanDerWaalsContact CG-OE1 3.24Å; Q450-E454 WeakPolarHBondContact CG-OE1 3.16Å; Q450-E454 PolarHBondContact NE2-OE1 2.96Å; Q450-E454 PolarHBondContact O-N 3.34Å |
| 451 | Q | 89.2 | Confident | 87.6 | Confident | 78 Ų | 78 | 65.9 Ų | 65.9 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.4 | -29.1 | 173.5 | -74.4 | 175.6 | 7.3 | 0 | 0 | 113 | S447 V455 N460 | S447-Q451 WeakPolarHBondContact O-CB 3.19Å; S447-Q451 VanDerWaalsContact O-CG 3.25Å; S447-Q451 WeakPolarHBondContact O-CG 3.36Å; S447-Q451 PolarHBondContact O-N 3Å; Q451-V455 VanDerWaalsContact O-CB 3.27Å; Q451-V455 WeakPolarHBondContact O-CB 3.4Å; Q451-V455 PolarHBondContact O-N 3.2Å; Q451-N460 PolarHBondContact O-ND2 2.9Å |
| 452 | A | 88.3 | Confident | 87.4 | Confident | 12 Ų | 12 | 68 Ų | 68 | 10% | 0.099 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -76 | -29.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L374 F376 L379 I448 I449 Q450 | L374-A452 WeakPolarHBondContact CD1-O 3.31Å; F376-A452 HydrophobicContact CD1-CB 4.09Å; F376-A452 HydrophobicContact CE1-CB 3.87Å; L379-A452 HydrophobicContact CD2-CB 3.65Å; I448-A452 WeakPolarHBondContact O-CB 3.41Å; I448-A452 PolarHBondContact O-N 3.37Å; I449-A452 WeakPolarHBondContact O-CB 3.4Å; I449-A452 PolarHBondContact O-N 3.2Å; I449-A452 VanDerWaalsContact O-N 3.07Å; Q450-A452 PolarHBondContact O-N 2.82Å |
| 453 | L | 86.7 | Confident | 87.1 | Confident | 70 Ų | 70 | 70 Ų | 70 | 37% | 0.366 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -83.3 | -45.3 | 179.2 | -68.3 | 173.2 | 0 | 0 | 0 | 112.5 | P367 H371 L374 F376 I449 Q450 | P367-L453 HydrophobicContact CG-CD1 4.18Å; H371-L453 HydrophobicContact CB-CD2 4.47Å; H371-L453 WeakPolarHBondContact CD2-CD2 3.37Å; L374-L453 HydrophobicContact CD1-CD2 4.31Å; F376-L453 HydrophobicContact CE1-CD2 4.12Å; F376-L453 HydrophobicContact CE1-CG 4.3Å; F376-L453 HydrophobicContact CZ-CD2 3.76Å; F376-L453 HydrophobicContact CZ-CG 4.42Å; I449-L453 HydrophobicContact CG2-CD1 4.16Å; I449-L453 WeakPolarHBondContact O-CG 3.38Å; I449-L453 PolarHBondContact O-N 2.9Å; I449-L453 VanDerWaalsContact O-N 3.08Å; Q450-L453 PolarHBondContact O-N 3.45Å |
| 454 | E | 84.8 | Confident | 86.8 | Confident | 132 Ų | 132 | 68.8 Ų | 68.8 | 62% | 0.617 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -77.6 | -39.1 | -175.8 | -68.3 | 177.2 | 177.3 | 0 | 0 | 112.4 | Q450 | Q450-E454 HydrophobicContact CG-CG 4.14Å; Q450-E454 VanDerWaalsContact CG-OE1 3.24Å; Q450-E454 WeakPolarHBondContact CG-OE1 3.16Å; Q450-E454 PolarHBondContact NE2-OE1 2.96Å; Q450-E454 PolarHBondContact O-N 3.34Å |
| 455 | V | 81.5 | Confident | 86.7 | Confident | 43 Ų | 43 | 67.6 Ų | 67.6 | 26% | 0.261 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -98.6 | 116.4 | -173.2 | -172 | 0 | 0 | 0 | 0 | 109.4 | Q451 Q459 N460 | Q451-V455 VanDerWaalsContact O-CB 3.27Å; Q451-V455 WeakPolarHBondContact O-CB 3.4Å; Q451-V455 PolarHBondContact O-N 3.2Å; V455-Q459 HydrophobicContact CG1-CB 3.37Å; V455-N460 HydrophobicContact CG1-CB 4.25Å |
| 456 | P | 77.5 | Confident | 86.6 | Confident | 71 Ų | 71 | 68.2 Ų | 68.2 | 46% | 0.461 | 35% | 0.35 | S | S | . | . | trans | -58.8 | 153.8 | 177.4 | 23 | -32.1 | 0 | 0 | 0 | 111.4 | S458 Q459 N460 | P456-S458 PolarHBondContact O-N 2.72Å; P456-Q459 PolarHBondContact O-N 3.4Å; P456-N460 PolarHBondContact O-N 3.24Å | ||
| 457 | E | 74.2 | Confident | 86.4 | Confident | 92 Ų | 92 | 70.1 Ų | 70.1 | 43% | 0.43 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -26.9 | -170.1 | -52.5 | -163.4 | 134.3 | 0 | 0 | 114.7 | L374 R463 | L374-E457 HydrophobicContact CD2-CG 4.02Å; E457-R463 VanDerWaalsContact CD-CZ 3.48Å; E457-R463 VanDerWaalsContact CG-NH1 3.3Å; E457-R463 IonicContact OE1-CZ 2.86Å; E457-R463 IonicContact OE1-NH1 2.84Å; E457-R463 PolarHBondContact OE1-NH1 2.72Å; E457-R463 IonicContact OE1-NH2 2.75Å; E457-R463 PolarHBondContact OE1-NH2 3.01Å; E457-R463 IonicContact OE2-CZ 3.89Å; E457-R463 IonicContact OE2-NH1 2.79Å; E457-R463 IonicContact OE2-NH2 3.34Å; E457-R463 PolarHBondContact OE2-NH2 2.66Å |
| 458 | S | 72.2 | Confident | 86.3 | Confident | 86 Ų | 86 | 72.9 Ų | 72.9 | 60% | 0.601 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -18.8 | -179 | 63.1 | 0 | 0 | 0 | 0 | 114.4 | P456 K464 | P456-S458 PolarHBondContact O-N 2.72Å; S458-K464 WeakPolarHBondContact O-CE 3.3Å; S458-K464 PolarHBondContact O-NZ 3.41Å |
| 459 | Q | 79.9 | Confident | 86.1 | Confident | 126 Ų | 126 | 75.6 Ų | 75.6 | 59% | 0.589 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | -19.6 | -177.3 | -72 | -179.2 | 6 | 0 | 0 | 112.7 | V455 P456 E461 | V455-Q459 HydrophobicContact CG1-CB 3.37Å; P456-Q459 PolarHBondContact O-N 3.4Å; Q459-E461 PolarHBondContact O-N 3.15Å |
| 460 | N | 86.2 | Confident | 86.1 | Confident | 9 Ų | 9 | 78.4 Ų | 78.4 | 5% | 0.048 | 39% | 0.389 | C | S | . | . | trans | -63.9 | 108 | -178.7 | -171 | -48.2 | 0 | 0 | 0 | 111.8 | Q451 V455 P456 L462 R463 K464 | Q451-N460 PolarHBondContact O-ND2 2.9Å; V455-N460 HydrophobicContact CG1-CB 4.25Å; P456-N460 PolarHBondContact O-N 3.24Å; N460-L462 WeakPolarHBondContact OD1-CB 3.38Å; N460-L462 PolarHBondContact OD1-N 3.16Å; N460-L462 VanDerWaalsContact OD1-N 3.16Å; N460-R463 HydrophobicContact CB-CB 4.08Å; N460-R463 PolarHBondContact O-N 3.08Å; N460-R463 PolarHBondContact OD1-N 2.98Å; N460-K464 WeakPolarHBondContact O-CG 3.32Å; N460-K464 PolarHBondContact O-N 3.13Å | ||
| 461 | E | 89.3 | Confident | 86.1 | Confident | 152 Ų | 152 | 74.6 Ų | 74.6 | 71% | 0.71 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.6 | -40.9 | -177.1 | -62.9 | -172.4 | 166.4 | 0 | 0 | 112.5 | Q459 R463 K464 L465 | Q459-E461 PolarHBondContact O-N 3.15Å; E461-R463 VanDerWaalsContact C-N 3.33Å; E461-R463 PolarHBondContact O-N 3.41Å; E461-K464 WeakPolarHBondContact O-CB 3.48Å; E461-K464 PolarHBondContact O-N 3.43Å; E461-L465 WeakPolarHBondContact O-CG 3.46Å; E461-L465 PolarHBondContact O-N 2.85Å |
| 462 | L | 88.4 | Confident | 86.1 | Confident | 46 Ų | 46 | 75.4 Ų | 75.4 | 24% | 0.241 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 178.9 | -179.1 | 66.4 | 0 | 0 | 0 | 110.7 | L379 I448 N460 K464 L465 Q466 | L379-L462 HydrophobicContact CD1-CD2 4Å; L379-L462 HydrophobicContact CD1-CG 4.11Å; L379-L462 HydrophobicContact CG-CD2 4.3Å; I448-L462 HydrophobicContact CD1-CD2 4.5Å; I448-L462 HydrophobicContact CG1-CD2 4.24Å; I448-L462 HydrophobicContact CG2-CD2 4.02Å; N460-L462 WeakPolarHBondContact OD1-CB 3.38Å; N460-L462 PolarHBondContact OD1-N 3.16Å; N460-L462 VanDerWaalsContact OD1-N 3.16Å; L462-K464 PolarHBondContact O-N 2.81Å; L462-L465 PolarHBondContact O-N 3.18Å; L462-Q466 WeakPolarHBondContact O-CB 3.43Å; L462-Q466 VanDerWaalsContact O-CG 3.32Å; L462-Q466 WeakPolarHBondContact O-CG 3.26Å; L462-Q466 PolarHBondContact O-N 3.38Å |
| 463 | R | 88.3 | Confident | 86.1 | Confident | 62 Ų | 62 | 77.7 Ų | 77.7 | 23% | 0.234 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63 | -40.7 | 177.8 | -170.7 | 171 | 178.6 | 169.1 | -10 | 112 | L379 E457 N460 E461 Q466 L467 | L379-R463 HydrophobicContact CD1-CB 3.97Å; L379-R463 HydrophobicContact CD1-CG 4.49Å; E457-R463 VanDerWaalsContact CD-CZ 3.48Å; E457-R463 VanDerWaalsContact CG-NH1 3.3Å; E457-R463 IonicContact OE1-CZ 2.86Å; E457-R463 IonicContact OE1-NH1 2.84Å; E457-R463 PolarHBondContact OE1-NH1 2.72Å; E457-R463 IonicContact OE1-NH2 2.75Å; E457-R463 PolarHBondContact OE1-NH2 3.01Å; E457-R463 IonicContact OE2-CZ 3.89Å; E457-R463 IonicContact OE2-NH1 2.79Å; E457-R463 IonicContact OE2-NH2 3.34Å; E457-R463 PolarHBondContact OE2-NH2 2.66Å; N460-R463 HydrophobicContact CB-CB 4.08Å; N460-R463 PolarHBondContact O-N 3.08Å; N460-R463 PolarHBondContact OD1-N 2.98Å; E461-R463 VanDerWaalsContact C-N 3.33Å; E461-R463 PolarHBondContact O-N 3.41Å; R463-Q466 PolarHBondContact O-N 3.42Å; R463-L467 HydrophobicContact CG-CD1 4.16Å; R463-L467 WeakPolarHBondContact O-CB 3.39Å; R463-L467 WeakPolarHBondContact O-CG 3.28Å; R463-L467 PolarHBondContact O-N 2.89Å |
| 464 | K | 89.3 | Confident | 86.3 | Confident | 109 Ų | 109 | 79.2 Ų | 79.2 | 47% | 0.474 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 175.5 | -71.7 | 173.9 | -177.6 | 170.5 | 0 | 112 | S458 N460 E461 L462 Q466 L467 R468 | S458-K464 WeakPolarHBondContact O-CE 3.3Å; S458-K464 PolarHBondContact O-NZ 3.41Å; N460-K464 WeakPolarHBondContact O-CG 3.32Å; N460-K464 PolarHBondContact O-N 3.13Å; E461-K464 WeakPolarHBondContact O-CB 3.48Å; E461-K464 PolarHBondContact O-N 3.43Å; L462-K464 PolarHBondContact O-N 2.81Å; K464-Q466 PolarHBondContact O-N 2.84Å; K464-L467 PolarHBondContact O-N 2.98Å; K464-R468 WeakPolarHBondContact O-CB 3.41Å; K464-R468 PolarHBondContact O-N 3.18Å |
| 465 | L | 90.7 | Very high | 86.3 | Confident | 110 Ų | 110 | 76.2 Ų | 76.2 | 58% | 0.576 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -61.1 | -45 | 178.3 | -71.8 | 171.9 | 0 | 0 | 0 | 111.4 | E461 L462 L467 R468 E469 | E461-L465 WeakPolarHBondContact O-CG 3.46Å; E461-L465 PolarHBondContact O-N 2.85Å; L462-L465 PolarHBondContact O-N 3.18Å; L465-L467 PolarHBondContact O-N 2.98Å; L465-R468 PolarHBondContact O-N 3.33Å; L465-E469 WeakPolarHBondContact O-CB 3.47Å; L465-E469 PolarHBondContact O-N 2.89Å |
| 466 | Q | 93 | Very high | 86.5 | Confident | 16 Ų | 16 | 78.8 Ų | 78.8 | 8% | 0.075 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.5 | -42 | 176.8 | -75.1 | -179.6 | -7.7 | 0 | 0 | 112.8 | L379 T387 L462 R463 K464 E469 L470 | L379-Q466 PolarHBondContact O-NE2 3.36Å; T387-Q466 PolarHBondContact OG1-NE2 3.49Å; L462-Q466 WeakPolarHBondContact O-CB 3.43Å; L462-Q466 VanDerWaalsContact O-CG 3.32Å; L462-Q466 WeakPolarHBondContact O-CG 3.26Å; L462-Q466 PolarHBondContact O-N 3.38Å; R463-Q466 PolarHBondContact O-N 3.42Å; K464-Q466 PolarHBondContact O-N 2.84Å; Q466-E469 PolarHBondContact O-N 3Å; Q466-L470 WeakPolarHBondContact O-CB 3.39Å; Q466-L470 PolarHBondContact O-N 3.45Å |
| 467 | L | 89.9 | Confident | 86.4 | Confident | 102 Ų | 102 | 76.3 Ų | 76.3 | 53% | 0.534 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 176.3 | -77.3 | 166.7 | 0 | 0 | 0 | 111.8 | R463 K464 L465 L470 A471 | R463-L467 HydrophobicContact CG-CD1 4.16Å; R463-L467 WeakPolarHBondContact O-CB 3.39Å; R463-L467 WeakPolarHBondContact O-CG 3.28Å; R463-L467 PolarHBondContact O-N 2.89Å; K464-L467 PolarHBondContact O-N 2.98Å; L465-L467 PolarHBondContact O-N 2.98Å; L467-L470 PolarHBondContact O-N 2.92Å; L467-A471 VanDerWaalsContact O-CB 3.32Å; L467-A471 WeakPolarHBondContact O-CB 3.25Å; L467-A471 PolarHBondContact O-N 2.89Å |
| 468 | R | 89.5 | Confident | 86.2 | Confident | 95 Ų | 95 | 82.2 Ų | 82.2 | 36% | 0.358 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 175 | -174.6 | 179 | -176.3 | 162.8 | 5.2 | 111.5 | K464 L465 L470 A471 L472 L477 | K464-R468 WeakPolarHBondContact O-CB 3.41Å; K464-R468 PolarHBondContact O-N 3.18Å; L465-R468 PolarHBondContact O-N 3.33Å; R468-L470 VanDerWaalsContact C-N 3.34Å; R468-L470 PolarHBondContact O-N 3.42Å; R468-A471 PolarHBondContact O-N 3.41Å; R468-L472 WeakPolarHBondContact O-CB 3.16Å; R468-L472 PolarHBondContact O-N 2.79Å; R468-L477 HydrophobicContact CG-CD1 4.45Å |
| 469 | E | 89.1 | Confident | 85.5 | Confident | 66 Ų | 66 | 80.4 Ų | 80.4 | 31% | 0.308 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 175.6 | -176.9 | -177 | 179.2 | 0 | 0 | 111.1 | P383 N386 L465 Q466 A471 L472 L473 | P383-E469 HydrophobicContact CG-CB 4.03Å; P383-E469 HydrophobicContact CG-CG 3.91Å; P383-E469 WeakPolarHBondContact CG-OE2 3.49Å; N386-E469 PolarHBondContact ND2-OE1 2.88Å; L465-E469 WeakPolarHBondContact O-CB 3.47Å; L465-E469 PolarHBondContact O-N 2.89Å; Q466-E469 PolarHBondContact O-N 3Å; E469-A471 PolarHBondContact O-N 3.43Å; E469-L472 PolarHBondContact O-N 3.32Å; E469-L473 HydrophobicContact CG-CD1 4.14Å; E469-L473 HydrophobicContact CG-CG 4.46Å; E469-L473 WeakPolarHBondContact O-CB 3.4Å; E469-L473 VanDerWaalsContact O-CG 3.29Å; E469-L473 WeakPolarHBondContact O-CG 3.49Å; E469-L473 PolarHBondContact O-N 3.41Å |
| 470 | L | 90.9 | Very high | 84.7 | Confident | 72 Ų | 72 | 79.9 Ų | 79.9 | 38% | 0.377 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 175.1 | -171.3 | 145.4 | 0 | 0 | 0 | 111.9 | P383 Q466 L467 R468 L472 L473 N474 | P383-L470 HydrophobicContact CB-CB 4Å; P383-L470 HydrophobicContact CB-CD1 4.4Å; Q466-L470 WeakPolarHBondContact O-CB 3.39Å; Q466-L470 PolarHBondContact O-N 3.45Å; L467-L470 PolarHBondContact O-N 2.92Å; R468-L470 VanDerWaalsContact C-N 3.34Å; R468-L470 PolarHBondContact O-N 3.42Å; L470-L472 VanDerWaalsContact C-N 3.32Å; L470-L473 PolarHBondContact O-N 3.31Å; L470-N474 WeakPolarHBondContact CD2-ND2 3.44Å; L470-N474 VanDerWaalsContact O-CB 3.31Å; L470-N474 WeakPolarHBondContact O-CB 3.38Å; L470-N474 VanDerWaalsContact O-CG 3.26Å; L470-N474 PolarHBondContact O-N 2.88Å; L470-N474 PolarHBondContact O-ND2 2.98Å |
| 471 | A | 90.2 | Very high | 83.5 | Confident | 17 Ų | 17 | 84.1 Ų | 84.1 | 14% | 0.14 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65.5 | -36.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L467 R468 E469 G475 T476 L477 | L467-A471 VanDerWaalsContact O-CB 3.32Å; L467-A471 WeakPolarHBondContact O-CB 3.25Å; L467-A471 PolarHBondContact O-N 2.89Å; R468-A471 PolarHBondContact O-N 3.41Å; E469-A471 PolarHBondContact O-N 3.43Å; A471-G475 PolarHBondContact O-N 3.06Å; A471-T476 PolarHBondContact O-N 2.92Å; A471-L477 HydrophobicContact CB-CB 4.08Å; A471-L477 HydrophobicContact CB-CD1 3.77Å; A471-L477 PolarHBondContact O-N 3.43Å |
| 472 | L | 88.8 | Confident | 82 | Confident | 96 Ų | 96 | 79.3 Ų | 79.3 | 50% | 0.503 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.1 | -47.9 | 173.6 | -164.1 | 161 | 0 | 0 | 0 | 110.7 | R468 E469 L470 N474 G475 | R468-L472 WeakPolarHBondContact O-CB 3.16Å; R468-L472 PolarHBondContact O-N 2.79Å; E469-L472 PolarHBondContact O-N 3.32Å; L470-L472 VanDerWaalsContact C-N 3.32Å; L472-N474 VanDerWaalsContact C-N 3.32Å; L472-N474 PolarHBondContact O-N 2.88Å; L472-G475 PolarHBondContact O-N 3.21Å; L472-G475 VanDerWaalsContact O-N 3.13Å |
| 473 | L | 88 | Confident | 80.5 | Confident | 59 Ų | 59 | 78.2 Ų | 78.2 | 31% | 0.309 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.8 | -30.5 | 179.3 | -72 | 175.7 | 0 | 0 | 0 | 113.9 | P383 R384 E469 L470 G475 | P383-L473 HydrophobicContact CB-CD1 4.29Å; R384-L473 HydrophobicContact CG-CD1 4.15Å; E469-L473 HydrophobicContact CG-CD1 4.14Å; E469-L473 HydrophobicContact CG-CG 4.46Å; E469-L473 WeakPolarHBondContact O-CB 3.4Å; E469-L473 VanDerWaalsContact O-CG 3.29Å; E469-L473 WeakPolarHBondContact O-CG 3.49Å; E469-L473 PolarHBondContact O-N 3.41Å; L470-L473 PolarHBondContact O-N 3.31Å; L473-G475 VanDerWaalsContact C-N 3.34Å |
| 474 | N | 90.4 | Very high | 79.1 | Confident | 102 Ų | 102 | 80.3 Ų | 80.3 | 55% | 0.545 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -7.1 | 175.7 | -69.5 | -16.5 | 0 | 0 | 0 | 112.8 | L470 L472 T476 | L470-N474 WeakPolarHBondContact CD2-ND2 3.44Å; L470-N474 VanDerWaalsContact O-CB 3.31Å; L470-N474 WeakPolarHBondContact O-CB 3.38Å; L470-N474 VanDerWaalsContact O-CG 3.26Å; L470-N474 PolarHBondContact O-N 2.88Å; L470-N474 PolarHBondContact O-ND2 2.98Å; L472-N474 VanDerWaalsContact C-N 3.32Å; L472-N474 PolarHBondContact O-N 2.88Å; N474-T476 HydrophobicContact CB-CG2 4.21Å; N474-T476 PolarHBondContact O-N 3.48Å |
| 475 | G | 84.5 | Confident | 77.6 | Confident | 70 Ų | 70 | 77.9 Ų | 77.9 | 72% | 0.722 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 17.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A471 L472 L473 | A471-G475 PolarHBondContact O-N 3.06Å; L472-G475 PolarHBondContact O-N 3.21Å; L472-G475 VanDerWaalsContact O-N 3.13Å; L473-G475 VanDerWaalsContact C-N 3.34Å |
| 476 | T | 87.1 | Confident | 76.1 | Confident | 96 Ų | 96 | 76.8 Ų | 76.8 | 59% | 0.589 | 43% | 0.427 | S | S | * | . | trans | -98.4 | 1 | -179.3 | 59.4 | 0 | 0 | 0 | 0 | 112.9 | A471 N474 R478 | A471-T476 PolarHBondContact O-N 2.92Å; N474-T476 HydrophobicContact CB-CG2 4.21Å; N474-T476 PolarHBondContact O-N 3.48Å; T476-R478 PolarHBondContact O-N 3.11Å; T476-R478 VanDerWaalsContact O-N 3.16Å | ||
| 477 | L | 73.7 | Confident | 74.6 | Confident | 19 Ų | 19 | 82.8 Ų | 82.8 | 10% | 0.099 | 45% | 0.45 | C | S | . | . | trans | -59.6 | 120.3 | 179.8 | -169.3 | 66.8 | 0 | 0 | 0 | 109.4 | R468 A471 E481 L482 | R468-L477 HydrophobicContact CG-CD1 4.45Å; A471-L477 HydrophobicContact CB-CB 4.08Å; A471-L477 HydrophobicContact CB-CD1 3.77Å; A471-L477 PolarHBondContact O-N 3.43Å; L477-E481 HydrophobicContact CD1-CB 4.35Å; L477-E481 HydrophobicContact CD2-CB 4.43Å; L477-E481 HydrophobicContact CG-CB 4.43Å; L477-L482 HydrophobicContact CD2-CB 4Å; L477-L482 HydrophobicContact CD2-CD1 4.02Å; L477-L482 HydrophobicContact CG-CB 4.25Å | ||
| 478 | R | 70.5 | Confident | 73.5 | Confident | 217 Ų | 217 | 85.4 Ų | 85.4 | 82% | 0.819 | 46% | 0.457 | S | S | * | . | trans | -64.8 | 141.9 | -179.4 | -70.4 | -177.2 | 176.4 | 171.8 | -0.7 | 109.5 | T476 D480 E481 L482 | T476-R478 PolarHBondContact O-N 3.11Å; T476-R478 VanDerWaalsContact O-N 3.16Å; R478-D480 PolarHBondContact O-N 3.39Å; R478-E481 PolarHBondContact O-N 2.93Å; R478-L482 PolarHBondContact O-N 3.19Å | ||
| 479 | G | 57.6 | Low | 72.6 | Confident | 48 Ų | 48 | 81 Ų | 81 | 50% | 0.495 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -54.3 | -22.8 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | A483 | G479-A483 WeakPolarHBondContact O-CA 3.49Å; G479-A483 WeakPolarHBondContact O-CB 3.48Å; G479-A483 PolarHBondContact O-N 2.92Å |
| 480 | D | 63.8 | Low | 71.7 | Confident | 114 Ų | 114 | 82.7 Ų | 82.7 | 61% | 0.61 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -70.6 | -39.6 | -177.7 | -61.4 | -49.2 | 0 | 0 | 0 | 112.9 | R478 L484 K498 | R478-D480 PolarHBondContact O-N 3.39Å; D480-L484 PolarHBondContact O-N 3.39Å; D480-K498 IonicContact OD1-NZ 3.27Å; D480-K498 PolarHBondContact OD1-NZ 2.87Å |
| 481 | E | 60 | Low | 70.4 | Confident | 99 Ų | 99 | 83.7 Ų | 83.7 | 46% | 0.463 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -84.6 | -27.4 | 174.7 | -77.1 | -171 | 152.2 | 0 | 0 | 113 | L477 R478 A485 | L477-E481 HydrophobicContact CD1-CB 4.35Å; L477-E481 HydrophobicContact CD2-CB 4.43Å; L477-E481 HydrophobicContact CG-CB 4.43Å; R478-E481 PolarHBondContact O-N 2.93Å; E481-A485 WeakPolarHBondContact O-CB 3.49Å; E481-A485 PolarHBondContact O-N 3.29Å; E481-A485 VanDerWaalsContact O-N 3.12Å |
| 482 | L | 59.2 | Low | 69.6 | Low | 50 Ų | 50 | 85.2 Ų | 85.2 | 26% | 0.262 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.6 | -36.1 | 173.5 | -170.9 | 64.6 | 0 | 0 | 0 | 111 | L477 R478 T486 Y487 | L477-L482 HydrophobicContact CD2-CB 4Å; L477-L482 HydrophobicContact CD2-CD1 4.02Å; L477-L482 HydrophobicContact CG-CB 4.25Å; R478-L482 PolarHBondContact O-N 3.19Å; L482-T486 WeakPolarHBondContact O-CB 3.36Å; L482-T486 PolarHBondContact O-N 3.04Å; L482-Y487 HydrophobicContact CD2-CE2 4.47Å; L482-Y487 HydrophobicContact CG-CE2 4.22Å |
| 483 | A | 55 | Low | 68.7 | Low | 23 Ų | 23 | 82.8 Ų | 82.8 | 19% | 0.19 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | G479 Y487 | G479-A483 WeakPolarHBondContact O-CA 3.49Å; G479-A483 WeakPolarHBondContact O-CB 3.48Å; G479-A483 PolarHBondContact O-N 2.92Å; A483-Y487 CarbonylContact O-C 3.5Å; A483-Y487 WeakPolarHBondContact O-CA 3.39Å; A483-Y487 WeakPolarHBondContact O-CB 3.47Å; A483-Y487 PolarHBondContact O-N 3.28Å; A483-Y487 VanDerWaalsContact O-O 3.09Å |
| 484 | L | 59.6 | Low | 67.8 | Low | 107 Ų | 107 | 81.5 Ų | 81.5 | 56% | 0.56 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -70.7 | -33.5 | -177.7 | -151.4 | 75.8 | 0 | 0 | 0 | 113.6 | D480 S495 | D480-L484 PolarHBondContact O-N 3.39Å; L484-S495 WeakPolarHBondContact CD1-O 3.43Å |
| 485 | A | 57.1 | Low | 66.9 | Low | 58 Ų | 58 | 79.8 Ų | 79.8 | 48% | 0.479 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -97.8 | -15.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115 | E481 | E481-A485 WeakPolarHBondContact O-CB 3.49Å; E481-A485 PolarHBondContact O-N 3.29Å; E481-A485 VanDerWaalsContact O-N 3.12Å |
| 486 | T | 59.5 | Low | 66.2 | Low | 87 Ų | 87 | 81.8 Ų | 81.8 | 53% | 0.534 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -130.4 | -25.1 | -175.1 | -53.2 | 0 | 0 | 0 | 0 | 113.1 | L482 | L482-T486 WeakPolarHBondContact O-CB 3.36Å; L482-T486 PolarHBondContact O-N 3.04Å |
| 487 | Y | 62.9 | Low | 65.5 | Low | 142 Ų | 142 | 78.9 Ų | 78.9 | 56% | 0.557 | 45% | 0.445 | S | S | * | . | trans | -102.8 | 86.9 | 179.7 | -67.5 | -92.5 | 0 | 0 | 0 | 111.1 | L482 A483 C489 | L482-Y487 HydrophobicContact CD2-CE2 4.47Å; L482-Y487 HydrophobicContact CG-CE2 4.22Å; A483-Y487 CarbonylContact O-C 3.5Å; A483-Y487 WeakPolarHBondContact O-CA 3.39Å; A483-Y487 WeakPolarHBondContact O-CB 3.47Å; A483-Y487 PolarHBondContact O-N 3.28Å; A483-Y487 VanDerWaalsContact O-O 3.09Å; Y487-C489 PolarHBondContact O-N 2.5Å | ||
| 488 | K | 66.8 | Low | 65.3 | Low | 157 Ų | 157 | 81.6 Ų | 81.6 | 68% | 0.683 | 46% | 0.456 | S | S | * | . | trans | -52.5 | 132.8 | 155.4 | 53.5 | -175 | 177.4 | -175.2 | 0 | 109.4 | S490 G493 | K488-S490 PolarHBondContact O-N 3.4Å; K488-S490 VanDerWaalsContact O-N 3.16Å; K488-G493 WeakPolarHBondContact CB-O 3.36Å | ||
| 489 | C | 69.4 | Low | 65.3 | Low | 2 Ų | 2 | 73.6 Ų | 73.6 | 1% | 0.014 | 43% | 0.433 | C | S | . | . | trans | -49.5 | 125.6 | 175 | 160.5 | 0 | 0 | 0 | 0 | 108.2 | Y487 N491 C492 G493 A494 H497 C502 | Y487-C489 PolarHBondContact O-N 2.5Å; C489-N491 PolarHBondContact O-N 3.45Å; C489-N491 VanDerWaalsContact O-N 3.08Å; C489-N491 PolarHBondContact SG-N 2.9Å; C489-C492 PolarHBondContact SG-N 3.27Å; C489-C492 PolarHBondContact SG-SG 2.93Å; C489-G493 VanDerWaalsContact O-CA 3.28Å; C489-G493 WeakPolarHBondContact O-CA 3.3Å; C489-G493 PolarHBondContact O-N 3.49Å; C489-A494 PolarHBondContact N-O 2.95Å; C489-H497 WeakPolarHBondContact CB-NE2 2.91Å; C489-H497 PolarHBondContact SG-NE2 3.37Å; C489-H497 VanDerWaalsContact SG-NE2 3.37Å; C489-C502 WeakPolarHBondContact CB-SG 3.35Å; C489-C502 WeakPolarHBondContact SG-CB 3.46Å; C489-C502 CovalentContact SG-SG 2.07Å; C489-C502 PolarHBondContact SG-SG 2.91Å | ||
| 490 | S | 70.5 | Confident | 65.7 | Low | 101 Ų | 101 | 78.2 Ų | 78.2 | 71% | 0.706 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -15.5 | -178.7 | -170.3 | 0 | 0 | 0 | 0 | 113.2 | K488 S499 | K488-S490 PolarHBondContact O-N 3.4Å; K488-S490 VanDerWaalsContact O-N 3.16Å; S490-S499 PolarHBondContact N-OG 2.94Å |
| 491 | N | 63.7 | Low | 66 | Low | 93 Ų | 93 | 77.6 Ų | 77.6 | 50% | 0.497 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -37.3 | -176 | -66 | 13.6 | 0 | 0 | 0 | 113.4 | C489 | C489-N491 PolarHBondContact O-N 3.45Å; C489-N491 VanDerWaalsContact O-N 3.08Å; C489-N491 PolarHBondContact SG-N 2.9Å |
| 492 | C | 73.8 | Confident | 66.4 | Low | 49 Ų | 49 | 73 Ų | 73 | 33% | 0.331 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.7 | -1.6 | -177.9 | 71 | 0 | 0 | 0 | 0 | 114.7 | C489 A494 H497 | C489-C492 PolarHBondContact SG-N 3.27Å; C489-C492 PolarHBondContact SG-SG 2.93Å; C492-A494 PolarHBondContact O-N 3.35Å; C492-A494 VanDerWaalsContact O-N 3.13Å; C492-H497 PolarHBondContact SG-CE1 2.86Å; C492-H497 PolarHBondContact SG-NE2 3.28Å |
| 493 | G | 69.4 | Low | 67 | Low | 45 Ų | 45 | 75.8 Ų | 75.8 | 46% | 0.464 | 43% | 0.429 | S | S | . | . | trans | 74 | -4.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | K488 C489 | K488-G493 WeakPolarHBondContact CB-O 3.36Å; C489-G493 VanDerWaalsContact O-CA 3.28Å; C489-G493 WeakPolarHBondContact O-CA 3.3Å; C489-G493 PolarHBondContact O-N 3.49Å | ||
| 494 | A | 69.4 | Low | 67.5 | Low | 32 Ų | 32 | 79.6 Ų | 79.6 | 26% | 0.264 | 45% | 0.446 | S | S | . | . | trans | -70.9 | 144.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | C489 C492 T496 | C489-A494 PolarHBondContact N-O 2.95Å; C492-A494 PolarHBondContact O-N 3.35Å; C492-A494 VanDerWaalsContact O-N 3.13Å; A494-T496 VanDerWaalsContact C-N 3.29Å | ||
| 495 | S | 70.4 | Confident | 67.8 | Low | 67 Ų | 67 | 82.7 Ų | 82.7 | 47% | 0.469 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -87.2 | 3 | 171.9 | 58.7 | 0 | 0 | 0 | 0 | 113 | L484 | L484-S495 WeakPolarHBondContact CD1-O 3.43Š|
| 496 | T | 71.4 | Confident | 68.1 | Low | 112 Ų | 112 | 84.2 Ų | 84.2 | 69% | 0.687 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -86.4 | -8.8 | -169.9 | 58.4 | 0 | 0 | 0 | 0 | 114.1 | A494 | A494-T496 VanDerWaalsContact C-N 3.29Š|
| 497 | H | 71.7 | Confident | 68 | Low | 34 Ų | 34 | 84.7 Ų | 84.7 | 16% | 0.157 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -157 | 162.1 | -178.3 | 56.2 | -89.6 | 0 | 0 | 0 | 111.3 | C489 C492 E501 C502 | C489-H497 WeakPolarHBondContact CB-NE2 2.91Å; C489-H497 PolarHBondContact SG-NE2 3.37Å; C489-H497 VanDerWaalsContact SG-NE2 3.37Å; C492-H497 PolarHBondContact SG-CE1 2.86Å; C492-H497 PolarHBondContact SG-NE2 3.28Å; H497-E501 HydrophobicContact CB-CB 4.4Å; H497-C502 WeakPolarHBondContact CD2-CA 3.37Å; H497-C502 PolarHBondContact CD2-SG 3.28Å; H497-C502 VanDerWaalsContact NE2-CA 3.31Å; H497-C502 WeakPolarHBondContact NE2-CA 3.49Å; H497-C502 WeakPolarHBondContact NE2-CB 3.45Å; H497-C502 PolarHBondContact NE2-SG 3.21Å |
| 498 | K | 68.8 | Low | 68 | Low | 76 Ų | 76 | 82.2 Ų | 82.2 | 33% | 0.33 | 45% | 0.454 | S | S | . | . | trans | -76.8 | 151.2 | 177.6 | -61.5 | 163.8 | -179.3 | 178.8 | 0 | 109.4 | D480 W500 E501 C502 | D480-K498 IonicContact OD1-NZ 3.27Å; D480-K498 PolarHBondContact OD1-NZ 2.87Å; K498-W500 HydrophobicContact CB-CG 4.44Å; K498-W500 HydrophobicContact CB-CZ2 4.44Å; K498-W500 VanDerWaalsContact CB-NE1 3.33Å; K498-W500 HydrophobicContact CD-CZ2 3.57Å; K498-W500 PolarHBondContact O-N 3.43Å; K498-E501 PolarHBondContact O-N 2.84Å; K498-C502 PolarHBondContact O-N 3.43Å | ||
| 499 | S | 70.8 | Confident | 67.9 | Low | 49 Ų | 49 | 78.7 Ų | 78.7 | 34% | 0.343 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -20.1 | -176.9 | -53.4 | 0 | 0 | 0 | 0 | 115.9 | S490 C502 | S490-S499 PolarHBondContact N-OG 2.94Å; S499-C502 WeakPolarHBondContact CA-SG 3.29Å; S499-C502 PolarHBondContact O-SG 3.23Å |
| 500 | W | 67.3 | Low | 67.8 | Low | 146 Ų | 146 | 80.6 Ų | 80.6 | 55% | 0.553 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -12.2 | -179.9 | 53.2 | -85.3 | 0 | 0 | 0 | 114.1 | K498 R505 | K498-W500 HydrophobicContact CB-CG 4.44Å; K498-W500 HydrophobicContact CB-CZ2 4.44Å; K498-W500 VanDerWaalsContact CB-NE1 3.33Å; K498-W500 HydrophobicContact CD-CZ2 3.57Å; K498-W500 PolarHBondContact O-N 3.43Å; W500-R505 VanDerWaalsContact O-CZ 3.25Å; W500-R505 PolarHBondContact O-NH1 3.43Å; W500-R505 PolarHBondContact O-NH2 3.25Å |
| 501 | E | 68.7 | Low | 67.8 | Low | 100 Ų | 100 | 81.9 Ų | 81.9 | 47% | 0.467 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -103.4 | 10 | 174.9 | -91.1 | 157.7 | 168.8 | 0 | 0 | 111.7 | H497 K498 P503 | H497-E501 HydrophobicContact CB-CB 4.4Å; K498-E501 PolarHBondContact O-N 2.84Å; E501-P503 VanDerWaalsContact O-CD 3.31Å; E501-P503 WeakPolarHBondContact O-CD 3.12Å |
| 502 | C | 68.1 | Low | 68.4 | Low | 4 Ų | 4 | 80.1 Ų | 80.1 | 3% | 0.027 | 45% | 0.451 | C | S | . | . | trans | -63.4 | 119.6 | 177.8 | -42.4 | 0 | 0 | 0 | 0 | 109.3 | C489 H497 K498 S499 D504 R505 | C489-C502 WeakPolarHBondContact CB-SG 3.35Å; C489-C502 WeakPolarHBondContact SG-CB 3.46Å; C489-C502 CovalentContact SG-SG 2.07Å; C489-C502 PolarHBondContact SG-SG 2.91Å; H497-C502 WeakPolarHBondContact CD2-CA 3.37Å; H497-C502 PolarHBondContact CD2-SG 3.28Å; H497-C502 VanDerWaalsContact NE2-CA 3.31Å; H497-C502 WeakPolarHBondContact NE2-CA 3.49Å; H497-C502 WeakPolarHBondContact NE2-CB 3.45Å; H497-C502 PolarHBondContact NE2-SG 3.21Å; K498-C502 PolarHBondContact O-N 3.43Å; S499-C502 WeakPolarHBondContact CA-SG 3.29Å; S499-C502 PolarHBondContact O-SG 3.23Å; C502-D504 PolarHBondContact O-N 3.3Å; C502-R505 PolarHBondContact O-N 3Å | ||
| 503 | P | 73.3 | Confident | 68.7 | Low | 107 Ų | 107 | 84.8 Ų | 84.8 | 70% | 0.695 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -62.6 | -24.5 | 179.5 | 24.9 | -32.7 | 0 | 0 | 0 | 111.3 | E501 R505 | E501-P503 VanDerWaalsContact O-CD 3.31Å; E501-P503 WeakPolarHBondContact O-CD 3.12Å; P503-R505 PolarHBondContact O-N 3.45Å; P503-R505 VanDerWaalsContact O-N 3.08Å |
| 504 | D | 66 | Low | 69.3 | Low | 103 Ų | 103 | 82.8 Ų | 82.8 | 55% | 0.551 | 45% | 0.445 | S | S | * | . | trans | -82.6 | 50.5 | 172.8 | -55.5 | -39.5 | 0 | 0 | 0 | 112.1 | C502 P506 | C502-D504 PolarHBondContact O-N 3.3Å; D504-P506 WeakPolarHBondContact O-CD 3.11Å | ||
| 505 | R | 64.6 | Low | 70 | Confident | 172 Ų | 172 | 85.7 Ų | 85.7 | 65% | 0.649 | 47% | 0.468 | S | S | * | . | trans | -82.9 | 92.8 | 174.9 | -125.5 | 180 | -178.1 | 173.6 | 2.4 | 109.2 | W500 C502 P503 N507 | W500-R505 VanDerWaalsContact O-CZ 3.25Å; W500-R505 PolarHBondContact O-NH1 3.43Å; W500-R505 PolarHBondContact O-NH2 3.25Å; C502-R505 PolarHBondContact O-N 3Å; P503-R505 PolarHBondContact O-N 3.45Å; P503-R505 VanDerWaalsContact O-N 3.08Å; R505-N507 PolarHBondContact O-N 2.91Å | ||
| 506 | P | 62.9 | Low | 70.4 | Confident | 90 Ų | 90 | 86.2 Ų | 86.2 | 58% | 0.584 | 47% | 0.465 | S | S | * | . | trans | -65.7 | 128.7 | 157.6 | 30.3 | -33.1 | 0 | 0 | 0 | 106.3 | D504 V508 | D504-P506 WeakPolarHBondContact O-CD 3.11Å; P506-V508 PolarHBondContact O-N 2.82Å | ||
| 507 | N | 57.5 | Low | 71 | Confident | 98 Ų | 98 | 82.7 Ų | 82.7 | 52% | 0.524 | 45% | 0.445 | S | S | . | . | trans | -63 | 80.4 | 177.5 | -178.2 | 3.6 | 0 | 0 | 0 | 110.5 | R505 T509 A510 | R505-N507 PolarHBondContact O-N 2.91Å; N507-T509 PolarHBondContact O-N 3.47Å; N507-T509 PolarHBondContact OD1-N 3.3Å; N507-T509 PolarHBondContact OD1-OG1 2.97Å; N507-A510 HydrophobicContact CB-CB 4.22Å; N507-A510 VanDerWaalsContact CG-CB 3.47Å; N507-A510 WeakPolarHBondContact ND2-CB 3.25Å; N507-A510 PolarHBondContact O-N 3.15Å; N507-A510 PolarHBondContact OD1-N 3.36Å | ||
| 508 | V | 64.2 | Low | 71.4 | Confident | 89 Ų | 89 | 83.6 Ų | 83.6 | 54% | 0.539 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -62.9 | -27.5 | 177.2 | -175.6 | 0 | 0 | 0 | 0 | 110.3 | P506 A510 N511 I512 | P506-V508 PolarHBondContact O-N 2.82Å; V508-A510 VanDerWaalsContact C-N 3.28Å; V508-A510 PolarHBondContact O-N 3.49Å; V508-N511 PolarHBondContact O-N 2.97Å; V508-N511 VanDerWaalsContact O-N 3.11Å; V508-I512 HydrophobicContact CG1-CD1 4.32Å; V508-I512 WeakPolarHBondContact O-CG1 3.35Å; V508-I512 PolarHBondContact O-N 3.2Å |
| 509 | T | 63.4 | Low | 71.8 | Confident | 83 Ų | 83 | 85 Ų | 85 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -62.9 | -26.6 | 173 | 32 | 0 | 0 | 0 | 0 | 114.1 | N507 G521 | N507-T509 PolarHBondContact O-N 3.47Å; N507-T509 PolarHBondContact OD1-N 3.3Å; N507-T509 PolarHBondContact OD1-OG1 2.97Å; T509-G521 VanDerWaalsContact O-CA 3.27Å; T509-G521 WeakPolarHBondContact O-CA 3.49Å; T509-G521 PolarHBondContact O-N 2.75Å |
| 510 | A | 67.2 | Low | 72.2 | Confident | 42 Ų | 42 | 85.1 Ų | 85.1 | 35% | 0.347 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -77.5 | -21.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N507 V508 | N507-A510 HydrophobicContact CB-CB 4.22Å; N507-A510 VanDerWaalsContact CG-CB 3.47Å; N507-A510 WeakPolarHBondContact ND2-CB 3.25Å; N507-A510 PolarHBondContact O-N 3.15Å; N507-A510 PolarHBondContact OD1-N 3.36Å; V508-A510 VanDerWaalsContact C-N 3.28Å; V508-A510 PolarHBondContact O-N 3.49Å |
| 511 | N | 71.3 | Confident | 72.8 | Confident | 128 Ų | 128 | 80.3 Ų | 80.3 | 68% | 0.684 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -93.5 | -2.6 | -178.9 | -63.6 | -2.2 | 0 | 0 | 0 | 112.7 | V508 | V508-N511 PolarHBondContact O-N 2.97Å; V508-N511 VanDerWaalsContact O-N 3.11Å |
| 512 | I | 76.6 | Confident | 73.3 | Confident | 57 Ų | 57 | 77.8 Ų | 77.8 | 29% | 0.292 | 46% | 0.463 | S | S | . | . | trans | -93.6 | 104.5 | 176.2 | -62 | 165.1 | 0 | 0 | 0 | 108.8 | V508 A520 G521 I523 | V508-I512 HydrophobicContact CG1-CD1 4.32Å; V508-I512 WeakPolarHBondContact O-CG1 3.35Å; V508-I512 PolarHBondContact O-N 3.2Å; I512-A520 WeakPolarHBondContact O-CA 2.94Å; I512-G521 PolarHBondContact O-N 3.07Å; I512-I523 HydrophobicContact CG2-CG1 4.01Å | ||
| 513 | F | 80.6 | Confident | 74 | Confident | 147 Ų | 147 | 82.2 Ų | 82.2 | 65% | 0.645 | 49% | 0.485 | S | S | * | . | B | Isolated β-bridge | trans | -88.1 | 131 | 170.4 | -61.4 | -78.9 | 0 | 0 | 0 | 110.4 | A515 A520 | F513-A515 PolarHBondContact O-N 2.78Å; F513-A520 HydrophobicContact CD1-CB 4.17Å; F513-A520 HydrophobicContact CE1-CB 4.15Å |
| 514 | C | 82.2 | Confident | 74.3 | Confident | 3 Ų | 3 | 78.7 Ų | 78.7 | 2% | 0.02 | 47% | 0.465 | C | S | . | . | trans | -72 | 124.7 | 177.2 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | L516 C517 G518 N519 H522 | C514-L516 PolarHBondContact O-N 3.44Å; C514-L516 PolarHBondContact SG-N 2.85Å; C514-L516 VanDerWaalsContact SG-N 3.4Å; C514-C517 VanDerWaalsContact CB-SG 3.6Å; C514-G518 VanDerWaalsContact O-CA 3.31Å; C514-G518 WeakPolarHBondContact O-CA 3.33Å; C514-G518 PolarHBondContact O-N 2.72Å; C514-N519 WeakPolarHBondContact CB-O 3.14Å; C514-N519 PolarHBondContact N-O 3.38Å; C514-H522 VanDerWaalsContact CB-NE2 3.34Å; C514-H522 WeakPolarHBondContact CB-NE2 2.88Å; C514-H522 PolarHBondContact SG-NE2 3.33Å | ||
| 515 | A | 83.4 | Confident | 74.9 | Confident | 92 Ų | 92 | 84.8 Ų | 84.8 | 76% | 0.76 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -15.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | F513 A524 | F513-A515 PolarHBondContact O-N 2.78Å; A515-A524 HydrophobicContact CB-CB 4.16Å |
| 516 | L | 79.3 | Confident | 75.6 | Confident | 78 Ų | 78 | 82 Ų | 82 | 41% | 0.408 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -24.6 | -178.1 | -62.6 | 179.6 | 0 | 0 | 0 | 114.2 | C514 A524 C527 P530 | C514-L516 PolarHBondContact O-N 3.44Å; C514-L516 PolarHBondContact SG-N 2.85Å; C514-L516 VanDerWaalsContact SG-N 3.4Å; L516-A524 HydrophobicContact CD1-CB 4.31Å; L516-A524 WeakPolarHBondContact CD1-O 3.28Å; L516-A524 HydrophobicContact CG-CB 4.07Å; L516-C527 HydrophobicContact CB-CB 4.17Å; L516-C527 HydrophobicContact CD1-CB 4.11Å; L516-P530 HydrophobicContact CD1-CB 4.34Å |
| 517 | C | 82.6 | Confident | 76.4 | Confident | 38 Ų | 38 | 78.4 Ų | 78.4 | 26% | 0.257 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.3 | -2.6 | -178.2 | 72.4 | 0 | 0 | 0 | 0 | 115 | C514 N519 H522 C527 | C514-C517 VanDerWaalsContact CB-SG 3.6Å; C517-N519 PolarHBondContact O-N 2.7Å; C517-H522 PolarHBondContact SG-CE1 2.98Å; C517-H522 PolarHBondContact SG-NE2 3.29Å; C517-C527 PolarHBondContact SG-SG 3.24Å |
| 518 | G | 80.2 | Confident | 77.5 | Confident | 53 Ų | 53 | 83.5 Ų | 83.5 | 55% | 0.546 | 47% | 0.473 | S | S | . | . | trans | 72.3 | -9.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | C514 | C514-G518 VanDerWaalsContact O-CA 3.31Å; C514-G518 WeakPolarHBondContact O-CA 3.33Å; C514-G518 PolarHBondContact O-N 2.72Å | ||
| 519 | N | 77 | Confident | 77.9 | Confident | 105 Ų | 105 | 85.1 Ų | 85.1 | 56% | 0.561 | 48% | 0.479 | S | S | * | . | trans | -75.9 | 139.4 | -178.8 | -66.9 | -23.8 | 0 | 0 | 0 | 111.6 | C514 C517 | C514-N519 WeakPolarHBondContact CB-O 3.14Å; C514-N519 PolarHBondContact N-O 3.38Å; C517-N519 PolarHBondContact O-N 2.7Å | ||
| 520 | A | 81.1 | Confident | 78 | Confident | 53 Ų | 53 | 84.6 Ų | 84.6 | 44% | 0.438 | 48% | 0.477 | S | S | . | . | B | Isolated β-bridge | trans | -69.6 | 151 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I512 F513 | I512-A520 WeakPolarHBondContact O-CA 2.94Å; F513-A520 HydrophobicContact CD1-CB 4.17Å; F513-A520 HydrophobicContact CE1-CB 4.15Å |
| 521 | G | 78.9 | Confident | 77.7 | Confident | 45 Ų | 45 | 86.8 Ų | 86.8 | 46% | 0.464 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 107.9 | -1.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | T509 I512 | T509-G521 VanDerWaalsContact O-CA 3.27Å; T509-G521 WeakPolarHBondContact O-CA 3.49Å; T509-G521 PolarHBondContact O-N 2.75Å; I512-G521 PolarHBondContact O-N 3.07Å |
| 522 | H | 78.4 | Confident | 76.9 | Confident | 47 Ų | 47 | 86.2 Ų | 86.2 | 22% | 0.218 | 49% | 0.491 | C | S | . | . | S | Bend | trans | -153.1 | 154.1 | 175.9 | 63.7 | -76.8 | 0 | 0 | 0 | 112.6 | C514 C517 D526 C527 | C514-H522 VanDerWaalsContact CB-NE2 3.34Å; C514-H522 WeakPolarHBondContact CB-NE2 2.88Å; C514-H522 PolarHBondContact SG-NE2 3.33Å; C517-H522 PolarHBondContact SG-CE1 2.98Å; C517-H522 PolarHBondContact SG-NE2 3.29Å; H522-D526 HydrophobicContact CB-CB 4.39Å; H522-C527 VanDerWaalsContact CD2-CA 3.43Å; H522-C527 WeakPolarHBondContact CD2-CA 3.01Å; H522-C527 PolarHBondContact NE2-SG 2.8Å; H522-C527 VanDerWaalsContact NE2-SG 3.38Å |
| 523 | I | 83.3 | Confident | 75.7 | Confident | 96 Ų | 96 | 89.7 Ų | 89.7 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | trans | -82 | 152.7 | 176.7 | -56.9 | 167.2 | 0 | 0 | 0 | 108.4 | I512 R525 D526 | I512-I523 HydrophobicContact CG2-CG1 4.01Å; I523-R525 PolarHBondContact O-N 2.92Å; I523-D526 PolarHBondContact O-N 2.69Å | ||
| 524 | A | 79.9 | Confident | 74.5 | Confident | 33 Ų | 33 | 86.1 Ų | 86.1 | 27% | 0.273 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -48.8 | -28.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A515 L516 C527 | A515-A524 HydrophobicContact CB-CB 4.16Å; L516-A524 HydrophobicContact CD1-CB 4.31Å; L516-A524 WeakPolarHBondContact CD1-O 3.28Å; L516-A524 HydrophobicContact CG-CB 4.07Å; A524-C527 WeakPolarHBondContact O-CB 3.05Å |
| 525 | R | 78.8 | Confident | 73.1 | Confident | 231 Ų | 231 | 90.1 Ų | 90.1 | 87% | 0.872 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -70.4 | -28.9 | 176.6 | -72.1 | -174.9 | 172.8 | 175.7 | -2.9 | 114.1 | I523 C527 | I523-R525 PolarHBondContact O-N 2.92Å; R525-C527 VanDerWaalsContact C-N 3.34Å |
| 526 | D | 78.9 | Confident | 71.5 | Confident | 113 Ų | 113 | 89.5 Ų | 89.5 | 60% | 0.604 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -99.2 | 12.8 | -178.6 | -57.9 | -49.7 | 0 | 0 | 0 | 112 | H522 I523 K528 | H522-D526 HydrophobicContact CB-CB 4.39Å; I523-D526 PolarHBondContact O-N 2.69Å; D526-K528 PolarHBondContact O-N 3.41Å |
| 527 | C | 80.8 | Confident | 70.3 | Confident | 16 Ų | 16 | 88.3 Ų | 88.3 | 11% | 0.108 | 55% | 0.552 | C | S | . | * | trans | -69 | 108.3 | -179.3 | -165.9 | 0 | 0 | 0 | 0 | 110.5 | L516 C517 H522 A524 R525 N529 | L516-C527 HydrophobicContact CB-CB 4.17Å; L516-C527 HydrophobicContact CD1-CB 4.11Å; C517-C527 PolarHBondContact SG-SG 3.24Å; H522-C527 VanDerWaalsContact CD2-CA 3.43Å; H522-C527 WeakPolarHBondContact CD2-CA 3.01Å; H522-C527 PolarHBondContact NE2-SG 2.8Å; H522-C527 VanDerWaalsContact NE2-SG 3.38Å; A524-C527 WeakPolarHBondContact O-CB 3.05Å; R525-C527 VanDerWaalsContact C-N 3.34Å; C527-N529 PolarHBondContact O-N 3.42Å; C527-N529 VanDerWaalsContact O-N 3.1Å; C527-N529 VanDerWaalsContact SG-C 3.58Å; C527-N529 PolarHBondContact SG-O 3.21Å | ||
| 528 | K | 79.3 | Confident | 69 | Low | 205 Ų | 205 | 90.2 Ų | 90.2 | 89% | 0.891 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -66.8 | -4.5 | 173.3 | -69.1 | 175.8 | 177.4 | 178.2 | 0 | 113.5 | D526 | D526-K528 PolarHBondContact O-N 3.41Š|
| 529 | N | 73 | Confident | 68.1 | Low | 123 Ų | 123 | 92 Ų | 92 | 66% | 0.658 | 57% | 0.571 | S | S | * | * | trans | -142.2 | 75.8 | -178.2 | -136.8 | 19.2 | 0 | 0 | 0 | 111 | C527 A531 | C527-N529 PolarHBondContact O-N 3.42Å; C527-N529 VanDerWaalsContact O-N 3.1Å; C527-N529 VanDerWaalsContact SG-C 3.58Å; C527-N529 PolarHBondContact SG-O 3.21Å; N529-A531 PolarHBondContact O-N 3.29Å; N529-A531 VanDerWaalsContact O-N 3.09Å | ||
| 530 | P | 64.4 | Low | 67.3 | Low | 72 Ų | 72 | 92.7 Ų | 92.7 | 47% | 0.468 | 57% | 0.574 | S | S | . | * | trans | -69.8 | 105.6 | 174.6 | 28.7 | -32.1 | 0 | 0 | 0 | 108.9 | L516 N532 | L516-P530 HydrophobicContact CD1-CB 4.34Å; P530-N532 PolarHBondContact O-N 2.75Å | ||
| 531 | A | 60.9 | Low | 66.8 | Low | 87 Ų | 87 | 95.4 Ų | 95.4 | 72% | 0.719 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -69.8 | 8.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N529 | N529-A531 PolarHBondContact O-N 3.29Å; N529-A531 VanDerWaalsContact O-N 3.09Å |
| 532 | N | 56.5 | Low | 66.9 | Low | 116 Ų | 116 | 100.1 Ų | 100.1 | 62% | 0.62 | 59% | 0.591 | S | S | * | * | trans | -150.9 | 94.9 | 177.8 | -158.5 | -2.2 | 0 | 0 | 0 | 111.4 | P530 G534 | P530-N532 PolarHBondContact O-N 2.75Å; N532-G534 PolarHBondContact O-N 3.23Å; N532-G534 VanDerWaalsContact O-N 3.1Å | ||
| 533 | P | 50.6 | Low | 66.7 | Low | 130 Ų | 130 | 104.4 Ų | 104.4 | 84% | 0.844 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 10.6 | -174.4 | 28.7 | -33.2 | 0 | 0 | 0 | 115.1 | ||
| 534 | G | 54.2 | Low | 66.6 | Low | 72 Ų | 72 | 106.9 Ų | 106.9 | 74% | 0.742 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -5.6 | -169 | 0 | 0 | 0 | 0 | 0 | 118 | N532 | N532-G534 PolarHBondContact O-N 3.23Å; N532-G534 VanDerWaalsContact O-N 3.1Å |
| 535 | S | 53 | Low | 66.5 | Low | 87 Ų | 87 | 108.5 Ų | 108.5 | 61% | 0.608 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -122.6 | -22.7 | -163.4 | 171.6 | 0 | 0 | 0 | 0 | 115.7 | ||
| 536 | A | 51 | Low | 66.6 | Low | 79 Ų | 79 | 100.1 Ų | 100.1 | 65% | 0.653 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -84.4 | -15.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 537 | G | 53.3 | Low | 66.5 | Low | 54 Ų | 54 | 99.2 Ų | 99.2 | 56% | 0.557 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -79.2 | -31.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 538 | A | 56.2 | Low | 66.4 | Low | 77 Ų | 77 | 102.4 Ų | 102.4 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -80.8 | -28.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 539 | V | 60.2 | Low | 66.4 | Low | 92 Ų | 92 | 96.4 Ų | 96.4 | 56% | 0.558 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -82.7 | -29.9 | -174.1 | -174.6 | 0 | 0 | 0 | 0 | 112.1 | E543 | V539-E543 PolarHBondContact O-N 3.22Å |
| 540 | L | 59.7 | Low | 66.5 | Low | 119 Ų | 119 | 98.4 Ų | 98.4 | 62% | 0.623 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -73.9 | -33 | 177.8 | -103.3 | 148.7 | 0 | 0 | 0 | 112.7 | E542 Y544 | L540-E542 VanDerWaalsContact C-N 3.31Å; L540-Y544 WeakPolarHBondContact O-CB 3.46Å; L540-Y544 PolarHBondContact O-N 3.2Å |
| 541 | D | 72.2 | Confident | 67 | Low | 110 Ų | 110 | 101.4 Ų | 101.4 | 59% | 0.588 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -71.3 | -26.9 | 175.9 | -77.2 | -13.8 | 0 | 0 | 0 | 112 | S545 | D541-S545 WeakPolarHBondContact O-CB 3.15Å; D541-S545 PolarHBondContact O-N 2.79Å; D541-S545 PolarHBondContact O-OG 2.96Å |
| 542 | E | 79.9 | Confident | 66.7 | Low | 144 Ų | 144 | 99.7 Ų | 99.7 | 67% | 0.673 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -74 | -43.8 | 177.2 | -166.8 | 156.2 | -163.7 | 0 | 0 | 111.9 | L540 S545 A546 | L540-E542 VanDerWaalsContact C-N 3.31Å; E542-S545 WeakPolarHBondContact CA-OG 3.28Å; E542-S545 PolarHBondContact O-OG 3.37Å; E542-S545 VanDerWaalsContact O-OG 3.14Å; E542-A546 WeakPolarHBondContact O-CB 3.39Å; E542-A546 PolarHBondContact O-N 2.77Å |
| 543 | E | 74.1 | Confident | 66.6 | Low | 137 Ų | 137 | 101.9 Ų | 101.9 | 64% | 0.64 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.4 | -37.7 | 172.5 | -66.8 | -175.3 | 173.2 | 0 | 0 | 111.8 | V539 L547 | V539-E543 PolarHBondContact O-N 3.22Å; E543-L547 VanDerWaalsContact O-CB 3.3Å; E543-L547 WeakPolarHBondContact O-CB 3.24Å; E543-L547 PolarHBondContact O-N 3.46Å |
| 544 | Y | 80.9 | Confident | 66.4 | Low | 147 Ų | 147 | 102.7 Ų | 102.7 | 58% | 0.576 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.6 | -39.3 | 177.2 | -174.7 | -109.1 | 0 | 0 | 0 | 112.7 | L540 L547 L548 | L540-Y544 WeakPolarHBondContact O-CB 3.46Å; L540-Y544 PolarHBondContact O-N 3.2Å; Y544-L547 PolarHBondContact O-N 2.85Å; Y544-L548 HydrophobicContact CD1-CD1 3.67Å; Y544-L548 HydrophobicContact CE1-CD1 3.27Å; Y544-L548 HydrophobicContact CE1-CG 4.37Å; Y544-L548 HydrophobicContact CE2-CD1 4.45Å; Y544-L548 HydrophobicContact CG-CD1 4.4Å; Y544-L548 WeakPolarHBondContact O-CB 3.11Å; Y544-L548 PolarHBondContact O-N 2.72Å |
| 545 | S | 79.7 | Confident | 66.3 | Low | 67 Ų | 67 | 105.4 Ų | 105.4 | 47% | 0.469 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -72 | -34.1 | 175.1 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | D541 E542 L548 A549 | D541-S545 WeakPolarHBondContact O-CB 3.15Å; D541-S545 PolarHBondContact O-N 2.79Å; D541-S545 PolarHBondContact O-OG 2.96Å; E542-S545 WeakPolarHBondContact CA-OG 3.28Å; E542-S545 PolarHBondContact O-OG 3.37Å; E542-S545 VanDerWaalsContact O-OG 3.14Å; S545-L548 PolarHBondContact O-N 3.42Å; S545-A549 WeakPolarHBondContact O-CB 3.15Å; S545-A549 PolarHBondContact O-N 3.32Å |
| 546 | A | 80.3 | Confident | 65.7 | Low | 55 Ų | 55 | 104.8 Ų | 104.8 | 46% | 0.455 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.4 | -41.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E542 A549 E550 | E542-A546 WeakPolarHBondContact O-CB 3.39Å; E542-A546 PolarHBondContact O-N 2.77Å; A546-A549 WeakPolarHBondContact O-CB 3.25Å; A546-A549 PolarHBondContact O-N 3.11Å; A546-E550 WeakPolarHBondContact O-CB 3.43Å; A546-E550 PolarHBondContact O-N 3.24Å |
| 547 | L | 76 | Confident | 65.2 | Low | 94 Ų | 94 | 111.5 Ų | 111.5 | 49% | 0.492 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -69 | -35.5 | 177.5 | -156.7 | 153.1 | 0 | 0 | 0 | 111.8 | E543 Y544 E550 L551 | E543-L547 VanDerWaalsContact O-CB 3.3Å; E543-L547 WeakPolarHBondContact O-CB 3.24Å; E543-L547 PolarHBondContact O-N 3.46Å; Y544-L547 PolarHBondContact O-N 2.85Å; L547-E550 PolarHBondContact O-N 3.25Å; L547-L551 HydrophobicContact CD2-CD1 4.14Å; L547-L551 PolarHBondContact O-N 3.11Å; L547-L551 VanDerWaalsContact O-N 3.09Å |
| 548 | L | 79.5 | Confident | 64.4 | Low | 83 Ų | 83 | 112.6 Ų | 112.6 | 44% | 0.435 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69.3 | -32.1 | 171.1 | -84.4 | 160.5 | 0 | 0 | 0 | 112.9 | Y544 S545 | Y544-L548 HydrophobicContact CD1-CD1 3.67Å; Y544-L548 HydrophobicContact CE1-CD1 3.27Å; Y544-L548 HydrophobicContact CE1-CG 4.37Å; Y544-L548 HydrophobicContact CE2-CD1 4.45Å; Y544-L548 HydrophobicContact CG-CD1 4.4Å; Y544-L548 WeakPolarHBondContact O-CB 3.11Å; Y544-L548 PolarHBondContact O-N 2.72Å; S545-L548 PolarHBondContact O-N 3.42Å |
| 549 | A | 78.7 | Confident | 63.6 | Low | 79 Ų | 79 | 117.4 Ų | 117.4 | 65% | 0.653 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -72.8 | -35 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S545 A546 | S545-A549 WeakPolarHBondContact O-CB 3.15Å; S545-A549 PolarHBondContact O-N 3.32Å; A546-A549 WeakPolarHBondContact O-CB 3.25Å; A546-A549 PolarHBondContact O-N 3.11Å |
| 550 | E | 76.3 | Confident | 62.3 | Low | 165 Ų | 165 | 116.9 Ų | 116.9 | 77% | 0.771 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -72.1 | -29 | 177.7 | -158.4 | 176.3 | -165.9 | 0 | 0 | 112.4 | A546 L547 G552 | A546-E550 WeakPolarHBondContact O-CB 3.43Å; A546-E550 PolarHBondContact O-N 3.24Å; L547-E550 PolarHBondContact O-N 3.25Å; E550-G552 VanDerWaalsContact C-N 3.35Å; E550-G552 PolarHBondContact O-N 2.56Å |
| 551 | L | 74.1 | Confident | 61.2 | Low | 136 Ų | 136 | 114.3 Ų | 114.3 | 71% | 0.712 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 6.1 | 177.4 | -105.1 | 75.3 | 0 | 0 | 0 | 115.6 | L547 | L547-L551 HydrophobicContact CD2-CD1 4.14Å; L547-L551 PolarHBondContact O-N 3.11Å; L547-L551 VanDerWaalsContact O-N 3.09Å |
| 552 | G | 53.6 | Low | 59.5 | Low | 51 Ų | 51 | 117 Ų | 117 | 53% | 0.526 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 69.8 | 43.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | E550 | E550-G552 VanDerWaalsContact C-N 3.35Å; E550-G552 PolarHBondContact O-N 2.56Å |
| 553 | H | 54.6 | Low | 57.5 | Low | 161 Ų | 161 | 118.4 Ų | 118.4 | 75% | 0.745 | 71% | 0.705 | S | S | * | * | trans | -104.8 | 83.1 | 167.7 | -130.5 | 72.8 | 0 | 0 | 0 | 110.8 | T555 | H553-T555 PolarHBondContact O-N 2.98Š| ||
| 554 | D | 47.7 | Very low | 56.1 | Low | 148 Ų | 148 | 116 Ų | 116 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | trans | -66.5 | 95.8 | 170.1 | 37.5 | -73.2 | 0 | 0 | 0 | 111.2 | G556 | D554-G556 PolarHBondContact O-N 3.45Š| ||
| 555 | T | 50.5 | Low | 54.6 | Low | 129 Ų | 129 | 117.5 Ų | 117.5 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | trans | -77 | 101.1 | 157.9 | 52.4 | 0 | 0 | 0 | 0 | 107.9 | H553 K557 | H553-T555 PolarHBondContact O-N 2.98Å; T555-K557 PolarHBondContact O-N 3.34Å | ||
| 556 | G | 40.9 | Very low | 53 | Low | 74 Ų | 74 | 123.6 Ų | 123.6 | 76% | 0.763 | 74% | 0.744 | S | S | * | * | trans | -56 | 122.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D554 | D554-G556 PolarHBondContact O-N 3.45Š| ||
| 557 | K | 41.8 | Very low | 51.7 | Low | 219 Ų | 219 | 126.4 Ų | 126.4 | 95% | 0.952 | 76% | 0.758 | S | S | * | * | trans | -145 | 88.8 | 145.2 | -91.6 | -176.7 | 179.3 | 178.3 | 0 | 107.7 | T555 | T555-K557 PolarHBondContact O-N 3.34Š| ||
| 558 | G | 35.8 | Very low | 49.9 | Very low | 77 Ų | 77 | 127.9 Ų | 127.9 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | -124 | 106.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 559 | L | 39 | Very low | 48.1 | Very low | 179 Ų | 179 | 129.7 Ų | 129.7 | 94% | 0.937 | 79% | 0.785 | S | S | * | * | trans | -120.2 | 103.2 | 158.3 | -115.3 | 162.8 | 0 | 0 | 0 | 104.6 | ||||
| 560 | G | 34.1 | Very low | 46.3 | Very low | 81 Ų | 81 | 136.2 Ų | 136.2 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | 69 | 134.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 561 | G | 35.3 | Very low | 44.9 | Very low | 65 Ų | 65 | 136 Ų | 136 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | cis | 142.2 | 122.8 | 20.4 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 562 | L | 36.3 | Very low | 43.4 | Very low | 167 Ų | 167 | 136.2 Ų | 136.2 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | 76.2 | 98 | 163.5 | -41.2 | 172.3 | 0 | 0 | 0 | 115.9 | ||||
| 563 | D | 39.1 | Very low | 42.8 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 92% | 0.92 | 82% | 0.818 | S | S | * | * | trans | -178.3 | 154.5 | 138.7 | -94.3 | -33 | 0 | 0 | 0 | 113.6 | ||||
| 564 | A | 44.4 | Very low | 42.2 | Very low | 88 Ų | 88 | 138.9 Ų | 138.9 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | 80.2 | 93.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 565 | L | 49.4 | Very low | 41.9 | Very low | 177 Ų | 177 | 141.3 Ų | 141.3 | 93% | 0.927 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -65 | 121.1 | 152.2 | -70.6 | 165.1 | 0 | 0 | 0 | 109.7 | ||
| 566 | K | 46 | Very low | 41.6 | Very low | 195 Ų | 195 | 141.6 Ų | 141.6 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 128.6 | -179.6 | -69.6 | 172.2 | 176.6 | 178 | 0 | 111.8 | ||
| 567 | P | 52.6 | Low | 41.5 | Very low | 115 Ų | 115 | 149.7 Ų | 149.7 | 75% | 0.747 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -80 | 132.9 | 161.1 | 31 | -29.8 | 0 | 0 | 0 | 110.8 | ||
| 568 | V | 39.4 | Very low | 41.6 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 76% | 0.758 | 83% | 0.828 | S | S | * | * | trans | -80.4 | 112.9 | 169.2 | 167 | 0 | 0 | 0 | 0 | 108.4 | R570 | V568-R570 HydrophobicContact CG1-CG 4.37Š| ||
| 569 | V | 41 | Very low | 41.7 | Very low | 121 Ų | 121 | 149.2 Ų | 149.2 | 73% | 0.733 | 83% | 0.828 | S | S | * | * | trans | -112.5 | 116.9 | 166.2 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 570 | R | 39.8 | Very low | 42.1 | Very low | 215 Ų | 215 | 147.2 Ų | 147.2 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | trans | -83.5 | 121.3 | 173.9 | -66.9 | 178.3 | 172.4 | 126.2 | -2.9 | 108.6 | V568 | V568-R570 HydrophobicContact CG1-CG 4.37Š| ||
| 571 | I | 47.6 | Very low | 42.5 | Very low | 161 Ų | 161 | 149.2 Ų | 149.2 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | trans | -94.4 | 113.7 | 170.5 | -60.8 | 176.6 | 0 | 0 | 0 | 108.4 | ||||
| 572 | N | 42.4 | Very low | 42.5 | Very low | 140 Ų | 140 | 152.9 Ų | 152.9 | 75% | 0.749 | 83% | 0.83 | S | S | * | * | trans | -73.5 | 122.2 | 170.6 | -69.5 | -62.1 | 0 | 0 | 0 | 109.3 | A574 | N572-A574 VanDerWaalsContact C-N 3.28Å; N572-A574 PolarHBondContact O-N 3Å | ||
| 573 | L | 42.4 | Very low | 42.6 | Very low | 187 Ų | 187 | 150 Ų | 150 | 98% | 0.979 | 83% | 0.83 | S | S | * | * | trans | -79.9 | 81.2 | 167.3 | -168.2 | 63.3 | 0 | 0 | 0 | 108.7 | ||||
| 574 | A | 41.6 | Very low | 42.6 | Very low | 82 Ų | 82 | 146.6 Ų | 146.6 | 68% | 0.678 | 83% | 0.826 | S | S | * | * | trans | -111.4 | 129.2 | 168 | 0 | 0 | 0 | 0 | 0 | 109.4 | N572 | N572-A574 VanDerWaalsContact C-N 3.28Å; N572-A574 PolarHBondContact O-N 3Å | ||
| 575 | K | 40.2 | Very low | 42.5 | Very low | 198 Ų | 198 | 147.1 Ų | 147.1 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | trans | -14.1 | 128.2 | 171.5 | -68.1 | 157.6 | 176.4 | 173.2 | 0 | 116.6 | R577 | K575-R577 PolarHBondContact O-N 2.91Š| ||
| 576 | P | 45.4 | Very low | 42.3 | Very low | 135 Ų | 135 | 144.3 Ų | 144.3 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 119 | 160.6 | 30.4 | -29.4 | 0 | 0 | 0 | 109.6 | ||
| 577 | R | 39.2 | Very low | 41.9 | Very low | 244 Ų | 244 | 143.4 Ų | 143.4 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 128.3 | 161.9 | -80.7 | -176.9 | 163.3 | 173.1 | -5 | 108 | K575 | K575-R577 PolarHBondContact O-N 2.91Š|
| 578 | L | 41.9 | Very low | 41.3 | Very low | 174 Ų | 174 | 148.2 Ų | 148.2 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 131.3 | 168.2 | -84.6 | 153.9 | 0 | 0 | 0 | 109.9 | ||
| 579 | S | 39.8 | Very low | 41.1 | Very low | 113 Ų | 113 | 146.5 Ų | 146.5 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 134.6 | 177.6 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 580 | V | 45.4 | Very low | 41.2 | Very low | 136 Ų | 136 | 146.1 Ų | 146.1 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | trans | -109.7 | 141 | 166.1 | 177.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 581 | P | 42.6 | Very low | 41.3 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 80% | 0.799 | 83% | 0.827 | S | S | * | * | trans | -77.4 | 155.4 | -169.8 | 30.9 | -34.5 | 0 | 0 | 0 | 114.4 | ||||
| 582 | T | 35.1 | Very low | 41 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | trans | -61.9 | 136.2 | -175.7 | -53.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 583 | A | 39.8 | Very low | 40.9 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | -138.3 | 144.4 | 149.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 584 | A | 38.4 | Very low | 41.2 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | -83.3 | 143.1 | -152.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 585 | A | 43.1 | Very low | 41.1 | Very low | 98 Ų | 98 | 142 Ų | 142 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | trans | -175.3 | 143.6 | 141.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 586 | P | 44.8 | Very low | 41.2 | Very low | 119 Ų | 119 | 136 Ų | 136 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | -107.9 | 168.1 | -165.4 | 42.2 | -34.6 | 0 | 0 | 0 | 115.3 | ||||
| 587 | F | 36.5 | Very low | 41.5 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 77% | 0.768 | 81% | 0.807 | S | S | * | * | trans | 79.6 | 97.1 | 156 | -93.6 | -85 | 0 | 0 | 0 | 121.1 | ||||
| 588 | Y | 41.6 | Very low | 41.7 | Very low | 216 Ų | 216 | 132.3 Ų | 132.3 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | 169.1 | 129.5 | 102 | -107.4 | -85.6 | 0 | 0 | 0 | 110.1 | |||||
| 589 | A | 35.5 | Very low | 41.8 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | trans | -77.7 | 156.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 590 | P | 42.3 | Very low | 42.3 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | -149.6 | 143.4 | 93.6 | 33.6 | -13.8 | 0 | 0 | 0 | 116.9 | |||||
| 591 | Q | 42.7 | Very low | 42.2 | Very low | 194 Ų | 194 | 132.5 Ų | 132.5 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | trans | 62.1 | 135.2 | 134.5 | -53.7 | -170.1 | 45.8 | 0 | 0 | 122.3 | ||||
| 592 | S | 40.7 | Very low | 42.8 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | trans | -93.3 | 152.6 | -158.8 | 48.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 593 | L | 40.2 | Very low | 43.3 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | 68.6 | 134.4 | 133.2 | -67 | 161.9 | 0 | 0 | 0 | 117.9 | ||||
| 594 | T | 48.3 | Very low | 43.7 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | cis | -157.4 | 151.6 | 32 | 48.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 595 | P | 39.4 | Very low | 44.6 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | -98.1 | 139.9 | 167.2 | 35.5 | -26.8 | 0 | 0 | 0 | 112.4 | ||||
| 596 | G | 42.4 | Very low | 44.8 | Very low | 72 Ų | 72 | 136 Ų | 136 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | -140.5 | 108.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 597 | V | 51.1 | Low | 44.6 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 72% | 0.715 | 77% | 0.765 | S | S | * | * | trans | 60.6 | 100.9 | 144.2 | -160.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 598 | Q | 45 | Very low | 44.7 | Very low | 184 Ų | 184 | 133.9 Ų | 133.9 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 120.4 | 158.4 | 176.5 | 178.7 | -7 | 0 | 0 | 110.4 | ||
| 599 | W | 42.4 | Very low | 44.5 | Very low | 196 Ų | 196 | 128 Ų | 128 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 141.1 | 173 | -69.2 | 82 | 0 | 0 | 0 | 111 | ||
| 600 | T | 50 | Low | 44.7 | Very low | 93 Ų | 93 | 130.7 Ų | 130.7 | 57% | 0.571 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 144.4 | 167.3 | 41.9 | 0 | 0 | 0 | 0 | 110.4 | W602 | T600-W602 PolarHBondContact O-N 3.28Å; T600-W602 VanDerWaalsContact O-N 3.1Å |
| 601 | P | 44.9 | Very low | 44.4 | Very low | 139 Ų | 139 | 128.3 Ų | 128.3 | 90% | 0.903 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 27.5 | -152.7 | -9.8 | 29.6 | 0 | 0 | 0 | 116.8 | ||
| 602 | W | 54.1 | Low | 44.2 | Very low | 189 Ų | 189 | 127.3 Ų | 127.3 | 72% | 0.716 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.5 | 2.7 | -174.4 | 64.9 | -86.9 | 0 | 0 | 0 | 115.7 | T600 | T600-W602 PolarHBondContact O-N 3.28Å; T600-W602 VanDerWaalsContact O-N 3.1Å |
| 603 | M | 46.2 | Very low | 44.1 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 62% | 0.616 | 77% | 0.774 | S | S | * | * | trans | -114 | 113.4 | 176.1 | -69.5 | -161.3 | 173.1 | 0 | 0 | 111.1 | P605 | M603-P605 WeakPolarHBondContact O-CD 3.44Š| ||
| 604 | A | 48.3 | Very low | 44 | Very low | 100 Ų | 100 | 125.6 Ų | 125.6 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 120.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 605 | P | 57.1 | Low | 43.4 | Very low | 100 Ų | 100 | 126.1 Ų | 126.1 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 151 | 171.3 | 30.1 | -31.5 | 0 | 0 | 0 | 112.2 | M603 | M603-P605 WeakPolarHBondContact O-CD 3.44Š|
| 606 | P | 48.2 | Very low | 43.4 | Very low | 130 Ų | 130 | 126 Ų | 126 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 153.7 | -169.4 | 33.1 | -35.9 | 0 | 0 | 0 | 114.9 | ||
| 607 | V | 39.4 | Very low | 43.2 | Very low | 135 Ų | 135 | 131 Ų | 131 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 143.2 | 171.9 | -72.9 | 0 | 0 | 0 | 0 | 113 | ||
| 608 | S | 38.5 | Very low | 42.8 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | 160.7 | 119.8 | 127.9 | -71.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 609 | A | 38.4 | Very low | 42.2 | Very low | 91 Ų | 91 | 126.7 Ų | 126.7 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | 48 | 120.3 | 130.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 610 | T | 38.2 | Very low | 42.1 | Very low | 148 Ų | 148 | 127.9 Ų | 127.9 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | 144.7 | 128.1 | 107.6 | -44.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 611 | G | 36.7 | Very low | 41.9 | Very low | 62 Ų | 62 | 129.1 Ų | 129.1 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | trans | 103 | 90.1 | 138.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 612 | D | 37.9 | Very low | 41.5 | Very low | 173 Ų | 173 | 126 Ų | 126 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | trans | 24.7 | 129.6 | 132.5 | -51.2 | -27.9 | 0 | 0 | 0 | 120.7 | ||||
| 613 | G | 38.4 | Very low | 40.8 | Very low | 77 Ų | 77 | 123.4 Ų | 123.4 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 159.2 | 74.6 | 165 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 614 | T | 38.7 | Very low | 40.4 | Very low | 138 Ų | 138 | 123.1 Ų | 123.1 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | -54.4 | 125.1 | 176 | -33.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 615 | T | 36.4 | Very low | 39.9 | Very low | 135 Ų | 135 | 124.9 Ų | 124.9 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | trans | -155.3 | 129.1 | 148.5 | -66.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 616 | T | 39.4 | Very low | 39.2 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -56.8 | 135.8 | -173.5 | -39.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 617 | M | 38.6 | Very low | 39.1 | Very low | 178 Ų | 178 | 121.9 Ų | 121.9 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -145.9 | 156.5 | 161.3 | -85.6 | -61.5 | -153.8 | 0 | 0 | 108.7 | ||||
| 618 | P | 41.1 | Very low | 39.7 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 163.9 | -135.8 | 34.4 | -36.7 | 0 | 0 | 0 | 116.1 | ||
| 619 | A | 34 | Very low | 40.3 | Very low | 100 Ų | 100 | 121.9 Ų | 121.9 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 138.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 620 | Y | 40.6 | Very low | 40.7 | Very low | 221 Ų | 221 | 120.8 Ų | 120.8 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -101 | 139.6 | 157 | -80.3 | -87.5 | 0 | 0 | 0 | 109.2 | ||
| 621 | P | 44.2 | Very low | 41.6 | Very low | 120 Ų | 120 | 117 Ų | 117 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 136.1 | -173.5 | 28.8 | -33.8 | 0 | 0 | 0 | 112 | ||
| 622 | G | 36.4 | Very low | 41.8 | Very low | 72 Ų | 72 | 119.6 Ų | 119.6 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 137.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 623 | V | 39.8 | Very low | 41.9 | Very low | 136 Ų | 136 | 119 Ų | 119 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -91.8 | 102.1 | 166.4 | 176.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 624 | T | 37.9 | Very low | 41.8 | Very low | 118 Ų | 118 | 121.3 Ų | 121.3 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | trans | -74.7 | 114.9 | 159.5 | 40.9 | 0 | 0 | 0 | 0 | 108.5 | V626 | T624-V626 PolarHBondContact O-N 3.42Š| ||
| 625 | T | 38.9 | Very low | 42.1 | Very low | 138 Ų | 138 | 121.9 Ų | 121.9 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | trans | -77.5 | 99.1 | 163.4 | 47 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 626 | V | 41.3 | Very low | 42.6 | Very low | 114 Ų | 114 | 120.6 Ų | 120.6 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | trans | -94.9 | 128.3 | 169 | -178.7 | 0 | 0 | 0 | 0 | 106.8 | T624 | T624-V626 PolarHBondContact O-N 3.42Š| ||
| 627 | A | 47.1 | Very low | 42.6 | Very low | 52 Ų | 52 | 120.2 Ų | 120.2 | 43% | 0.43 | 75% | 0.748 | S | S | . | * | trans | -62.3 | 139.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | D629 G630 | A627-D629 WeakPolarHBondContact CB-OD1 3.46Å; A627-D629 PolarHBondContact O-N 2.77Å; A627-G630 PolarHBondContact O-N 3.12Å | ||
| 628 | P | 52.1 | Low | 42.7 | Very low | 144 Ų | 144 | 122.7 Ų | 122.7 | 94% | 0.935 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 3.5 | -172.2 | 25.8 | -33.8 | 0 | 0 | 0 | 115.3 | ||
| 629 | D | 50.8 | Low | 42.9 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 57% | 0.567 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | 3.3 | -175.8 | 61.1 | -42.5 | 0 | 0 | 0 | 114.4 | A627 S631 | A627-D629 WeakPolarHBondContact CB-OD1 3.46Å; A627-D629 PolarHBondContact O-N 2.77Å; D629-S631 PolarHBondContact O-N 2.77Å; D629-S631 PolarHBondContact O-OG 3.41Å; D629-S631 WeakPolarHBondContact OD2-CB 3.38Å; D629-S631 PolarHBondContact OD2-OG 3.47Å |
| 630 | G | 47 | Very low | 43.2 | Very low | 68 Ų | 68 | 122.2 Ų | 122.2 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | 66.6 | 5.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A627 S632 | A627-G630 PolarHBondContact O-N 3.12Å; G630-S632 PolarHBondContact O-N 2.75Å | ||
| 631 | S | 57.1 | Low | 43.8 | Very low | 70 Ų | 70 | 119.6 Ų | 119.6 | 49% | 0.49 | 75% | 0.751 | S | S | . | * | trans | -78 | 115.4 | 179.2 | -47.6 | 0 | 0 | 0 | 0 | 110.8 | D629 L633 | D629-S631 PolarHBondContact O-N 2.77Å; D629-S631 PolarHBondContact O-OG 3.41Å; D629-S631 WeakPolarHBondContact OD2-CB 3.38Å; D629-S631 PolarHBondContact OD2-OG 3.47Å; S631-L633 PolarHBondContact O-N 3.49Å; S631-L633 VanDerWaalsContact O-N 3.15Å | ||
| 632 | S | 40.5 | Very low | 44.3 | Very low | 116 Ų | 116 | 118.5 Ų | 118.5 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | trans | -73.4 | 100.4 | 169.2 | -67.4 | 0 | 0 | 0 | 0 | 109.9 | G630 V634 | G630-S632 PolarHBondContact O-N 2.75Å; S632-V634 PolarHBondContact O-N 3.37Å | ||
| 633 | L | 38.5 | Very low | 44.8 | Very low | 161 Ų | 161 | 118.6 Ų | 118.6 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | trans | -77.4 | 102.2 | 166.9 | -81.2 | 171.4 | 0 | 0 | 0 | 109.7 | S631 I635 | S631-L633 PolarHBondContact O-N 3.49Å; S631-L633 VanDerWaalsContact O-N 3.15Å; L633-I635 PolarHBondContact O-N 2.85Å | ||
| 634 | V | 38.3 | Very low | 46 | Very low | 125 Ų | 125 | 119.1 Ų | 119.1 | 76% | 0.758 | 73% | 0.726 | S | S | * | * | trans | -65.6 | 108.1 | 166.2 | 176.7 | 0 | 0 | 0 | 0 | 108.2 | S632 | S632-V634 PolarHBondContact O-N 3.37Š| ||
| 635 | I | 43.8 | Very low | 47.4 | Very low | 149 Ų | 149 | 114.7 Ų | 114.7 | 76% | 0.764 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 118.1 | 165.3 | -57.4 | 176.1 | 0 | 0 | 0 | 106.9 | L633 S637 | L633-I635 PolarHBondContact O-N 2.85Å; I635-S637 PolarHBondContact O-N 3.42Å |
| 636 | P | 46.3 | Very low | 48.6 | Very low | 108 Ų | 108 | 115.1 Ų | 115.1 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 133.5 | 178.9 | 24.3 | -31 | 0 | 0 | 0 | 110.9 | ||
| 637 | S | 40.5 | Very low | 50.3 | Low | 118 Ų | 118 | 115.1 Ų | 115.1 | 83% | 0.825 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 136 | 177.1 | -71.7 | 0 | 0 | 0 | 0 | 111.5 | I635 | I635-S637 PolarHBondContact O-N 3.42Š|
| 638 | Y | 41.4 | Very low | 51.2 | Low | 230 Ų | 230 | 115.1 Ų | 115.1 | 90% | 0.902 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 129.5 | 166.8 | -92.9 | -96.5 | 0 | 0 | 0 | 110.6 | ||
| 639 | P | 45 | Very low | 52.1 | Low | 126 Ų | 126 | 111.3 Ų | 111.3 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 129 | 172.2 | 31.9 | -28.9 | 0 | 0 | 0 | 110.1 | ||
| 640 | G | 40.1 | Very low | 52.6 | Low | 74 Ų | 74 | 110.3 Ų | 110.3 | 76% | 0.763 | 68% | 0.681 | S | S | * | * | trans | 176.5 | 16.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 641 | I | 52.6 | Low | 53.1 | Low | 166 Ų | 166 | 111 Ų | 111 | 85% | 0.851 | 67% | 0.671 | S | S | * | * | trans | -120.3 | 121.8 | 179.3 | -52.4 | 177.9 | 0 | 0 | 0 | 110.2 | ||||
| 642 | P | 55.4 | Low | 53 | Low | 98 Ų | 98 | 116.9 Ų | 116.9 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 126.5 | 175.7 | 27.6 | -30.9 | 0 | 0 | 0 | 110.9 | ||
| 643 | A | 46.6 | Very low | 53.8 | Low | 73 Ų | 73 | 117.1 Ų | 117.1 | 60% | 0.603 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 135.1 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | V651 | A643-V651 PolarHBondContact O-N 2.83Š|
| 644 | Y | 65.6 | Low | 55 | Low | 148 Ų | 148 | 113.2 Ų | 113.2 | 58% | 0.58 | 67% | 0.669 | S | S | * | * | B | Isolated β-bridge | trans | -102.6 | 138.3 | 174.8 | -90.8 | -95.5 | 0 | 0 | 0 | 109.6 | G648 T649 P650 | Y644-G648 VanDerWaalsContact CD1-O 3.3Å; Y644-G648 WeakPolarHBondContact CD1-O 3.19Å; Y644-G648 WeakPolarHBondContact CE1-O 3.23Å; Y644-T649 WeakPolarHBondContact CA-O 3.14Å; Y644-T649 VanDerWaalsContact CD1-C 3.41Å; Y644-P650 HydrophobicContact CD1-CB 4.43Å; Y644-P650 HydrophobicContact CE1-CB 3.97Å; Y644-P650 HydrophobicContact CE1-CG 4.12Å; Y644-P650 HydrophobicContact CE2-CB 4.19Å |
| 645 | A | 66.7 | Low | 56 | Low | 25 Ų | 25 | 113.5 Ų | 113.5 | 21% | 0.207 | 67% | 0.673 | C | S | . | * | P | Polyproline II helix | trans | -65.4 | 157.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | D647 G648 T649 V651 | A645-D647 WeakPolarHBondContact CB-OD1 3.45Å; A645-D647 PolarHBondContact O-N 2.69Å; A645-G648 PolarHBondContact O-N 3.15Å; A645-T649 PolarHBondContact N-O 3.49Å; A645-V651 HydrophobicContact CB-CG2 4.24Å |
| 646 | P | 64.4 | Low | 55.9 | Low | 147 Ų | 147 | 115.1 Ų | 115.1 | 96% | 0.955 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -12.4 | -179.1 | 22.8 | -33.9 | 0 | 0 | 0 | 114.7 | ||
| 647 | D | 76.7 | Confident | 56 | Low | 114 Ų | 114 | 120.6 Ų | 120.6 | 61% | 0.61 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 3.9 | 174.7 | 49.4 | -59.8 | 0 | 0 | 0 | 114.5 | A645 T649 | A645-D647 WeakPolarHBondContact CB-OD1 3.45Å; A645-D647 PolarHBondContact O-N 2.69Å; D647-T649 PolarHBondContact OD2-OG1 3.31Å |
| 648 | G | 66.1 | Low | 56.1 | Low | 51 Ų | 51 | 119.5 Ų | 119.5 | 53% | 0.526 | 69% | 0.686 | S | S | . | * | S | Bend | trans | 78 | 23.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y644 A645 | Y644-G648 VanDerWaalsContact CD1-O 3.3Å; Y644-G648 WeakPolarHBondContact CD1-O 3.19Å; Y644-G648 WeakPolarHBondContact CE1-O 3.23Å; A645-G648 PolarHBondContact O-N 3.15Å |
| 649 | T | 70.4 | Confident | 56.4 | Low | 65 Ų | 65 | 114.4 Ų | 114.4 | 40% | 0.399 | 68% | 0.681 | S | S | . | * | trans | -98.7 | 131.7 | 171 | 53.3 | 0 | 0 | 0 | 0 | 111.4 | Y644 A645 D647 V651 | Y644-T649 WeakPolarHBondContact CA-O 3.14Å; Y644-T649 VanDerWaalsContact CD1-C 3.41Å; A645-T649 PolarHBondContact N-O 3.49Å; D647-T649 PolarHBondContact OD2-OG1 3.31Å; T649-V651 PolarHBondContact O-N 2.89Å | ||
| 650 | P | 62.1 | Low | 56.5 | Low | 85 Ų | 85 | 112.9 Ų | 112.9 | 55% | 0.552 | 68% | 0.679 | S | S | * | * | B | Isolated β-bridge | trans | -75.3 | 123 | 174.2 | 28.8 | -29.4 | 0 | 0 | 0 | 109.4 | Y644 | Y644-P650 HydrophobicContact CD1-CB 4.43Å; Y644-P650 HydrophobicContact CE1-CB 3.97Å; Y644-P650 HydrophobicContact CE1-CG 4.12Å; Y644-P650 HydrophobicContact CE2-CB 4.19Å |
| 651 | V | 57 | Low | 57 | Low | 83 Ų | 83 | 114.8 Ų | 114.8 | 50% | 0.503 | 68% | 0.678 | S | S | . | * | trans | -105 | 120.4 | 178.6 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | A643 A645 T649 V653 | A643-V651 PolarHBondContact O-N 2.83Å; A645-V651 HydrophobicContact CB-CG2 4.24Å; T649-V651 PolarHBondContact O-N 2.89Å; V651-V653 HydrophobicContact CG1-CG2 4.27Å | ||
| 652 | F | 54.9 | Low | 56.5 | Low | 192 Ų | 192 | 114 Ų | 114 | 84% | 0.842 | 68% | 0.676 | S | S | * | * | trans | -82 | 112.4 | 172.3 | -168.1 | -92.7 | 0 | 0 | 0 | 108.8 | P654 | F652-P654 WeakPolarHBondContact O-CD 3.17Š| ||
| 653 | V | 57.1 | Low | 55.9 | Low | 121 Ų | 121 | 117.4 Ų | 117.4 | 73% | 0.733 | 69% | 0.688 | S | S | * | * | trans | -102.1 | 107.6 | 177.5 | -172.7 | 0 | 0 | 0 | 0 | 108.9 | V651 | V651-V653 HydrophobicContact CG1-CG2 4.27Š| ||
| 654 | P | 64.2 | Low | 55.6 | Low | 80 Ų | 80 | 117.5 Ų | 117.5 | 52% | 0.519 | 69% | 0.69 | S | S | . | * | P | Polyproline II helix | trans | -71.1 | 147 | 167.9 | 28.4 | -31.5 | 0 | 0 | 0 | 110.5 | F652 M656 | F652-P654 WeakPolarHBondContact O-CD 3.17Å; P654-M656 PolarHBondContact O-N 3.41Å |
| 655 | P | 60.2 | Low | 54.5 | Low | 131 Ų | 131 | 117.2 Ų | 117.2 | 85% | 0.851 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 120.9 | 175.9 | 26.9 | -31.6 | 0 | 0 | 0 | 110.3 | ||
| 656 | M | 40.7 | Very low | 53.2 | Low | 182 Ų | 182 | 120 Ų | 120 | 90% | 0.897 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 128.1 | 175.1 | -76.5 | -76.4 | -163.1 | 0 | 0 | 110.9 | P654 | P654-M656 PolarHBondContact O-N 3.41Š|
| 657 | Y | 48.8 | Very low | 52.1 | Low | 224 Ų | 224 | 122.1 Ų | 122.1 | 88% | 0.878 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 128.5 | 157 | -115.5 | -97 | 0 | 0 | 0 | 108 | ||
| 658 | A | 42.9 | Very low | 50.3 | Low | 94 Ų | 94 | 120.9 Ų | 120.9 | 78% | 0.777 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 130.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 659 | P | 46.7 | Very low | 49 | Very low | 123 Ų | 123 | 125 Ų | 125 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | trans | -111 | 157.6 | 171.5 | 38.1 | -28.4 | 0 | 0 | 0 | 112.6 | ||||
| 660 | A | 48.4 | Very low | 47.6 | Very low | 95 Ų | 95 | 127.1 Ų | 127.1 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 156 | 161.1 | 147.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 661 | P | 49.3 | Very low | 46.5 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | cis | -139.5 | 152.8 | -29.3 | 33.6 | -14.1 | 0 | 0 | 0 | 115.9 | ||||
| 662 | D | 42.5 | Very low | 45.7 | Very low | 150 Ų | 150 | 130.9 Ų | 130.9 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | 5.6 | 134.9 | 141.6 | -39.9 | -37.2 | 0 | 0 | 0 | 123.6 | ||||
| 663 | D | 42.3 | Very low | 45 | Very low | 168 Ų | 168 | 127 Ų | 127 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | 175.9 | 145 | 137.5 | -96.8 | -29.1 | 0 | 0 | 0 | 108 | ||||
| 664 | A | 40.5 | Very low | 44.3 | Very low | 76 Ų | 76 | 129.7 Ų | 129.7 | 63% | 0.628 | 80% | 0.801 | S | S | * | * | cis | -167.1 | 142.1 | -31.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 665 | T | 42.8 | Very low | 43.2 | Very low | 141 Ų | 141 | 131 Ų | 131 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | 82.1 | 126.6 | 149.3 | -20.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 666 | A | 39.7 | Very low | 42.4 | Very low | 85 Ų | 85 | 135.3 Ų | 135.3 | 70% | 0.702 | 81% | 0.811 | S | S | * | * | trans | 108.9 | 89.9 | 142.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 667 | Q | 40 | Very low | 42.5 | Very low | 190 Ų | 190 | 130.3 Ų | 130.3 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | 68.8 | 103.1 | 125.5 | -66.2 | 178.9 | 3.7 | 0 | 0 | 121.3 | |||||
| 668 | A | 39.3 | Very low | 42.4 | Very low | 89 Ų | 89 | 125.4 Ų | 125.4 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | 81.5 | 133.6 | 118.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 669 | T | 39.5 | Very low | 43.2 | Very low | 137 Ų | 137 | 126.6 Ų | 126.6 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | 85.7 | 93.4 | 153.8 | 35.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 670 | A | 40.7 | Very low | 43.3 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | trans | 58.9 | 118.9 | 130.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 671 | G | 38.8 | Very low | 43.1 | Very low | 79 Ų | 79 | 126 Ų | 126 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | 130.7 | 104.3 | 152.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 672 | I | 40.8 | Very low | 42.8 | Very low | 169 Ų | 169 | 130.1 Ų | 130.1 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -47.5 | 152.3 | 159.9 | -59.5 | 164.2 | 0 | 0 | 0 | 109.8 | ||||
| 673 | P | 40.4 | Very low | 42.8 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | cis | -134.4 | 174.2 | 22.4 | 20.6 | 6 | 0 | 0 | 0 | 115.3 | ||||
| 674 | L | 41.9 | Very low | 42.8 | Very low | 176 Ų | 176 | 128.8 Ų | 128.8 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -125.5 | 131 | 164.3 | -87 | 174.8 | 0 | 0 | 0 | 113.8 | ||||
| 675 | P | 42 | Very low | 43.1 | Very low | 108 Ų | 108 | 131 Ų | 131 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -100.6 | 159.9 | 168.2 | 38.1 | -29.8 | 0 | 0 | 0 | 113.5 | ||||
| 676 | Y | 41.6 | Very low | 43.4 | Very low | 222 Ų | 222 | 128.9 Ų | 128.9 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | trans | 31.7 | 119.9 | 142.3 | -135 | -99.1 | 0 | 0 | 0 | 123.2 | ||||
| 677 | A | 44.9 | Very low | 43.5 | Very low | 77 Ų | 77 | 131.1 Ų | 131.1 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | trans | 46.5 | 173.1 | 142.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 678 | P | 45.6 | Very low | 43.5 | Very low | 121 Ų | 121 | 130.2 Ų | 130.2 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | cis | -140.6 | -168.3 | 11.1 | 40.7 | -16.5 | 0 | 0 | 0 | 115 | ||||
| 679 | P | 60.1 | Low | 43.5 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -108.1 | 177.7 | -169.5 | 41.2 | -31 | 0 | 0 | 0 | 115.1 | ||||
| 680 | P | 48.4 | Very low | 43.4 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | -155.1 | 165.3 | 140.7 | 36.5 | -17 | 0 | 0 | 0 | 119 | ||||
| 681 | G | 45.3 | Very low | 43.2 | Very low | 70 Ų | 70 | 132.2 Ų | 132.2 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | 112.6 | 99.4 | 145.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 682 | E | 41.9 | Very low | 43.2 | Very low | 201 Ų | 201 | 134 Ų | 134 | 94% | 0.939 | 77% | 0.771 | S | S | * | * | 78.6 | 118.5 | 68.9 | -82.6 | -167.4 | 147.1 | 0 | 0 | 118.3 | |||||
| 683 | A | 42.5 | Very low | 42.8 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | 164.6 | 140.4 | 141.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 684 | K | 42.8 | Very low | 42.4 | Very low | 189 Ų | 189 | 129.4 Ų | 129.4 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | cis | -170.2 | 129.3 | -7 | -121.4 | -170.3 | 173 | 174.1 | 0 | 105.9 | ||||
| 685 | V | 47.5 | Very low | 41.9 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | 83.7 | 144.3 | 113.1 | 159.7 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 686 | P | 47.4 | Very low | 41.5 | Very low | 98 Ų | 98 | 124.8 Ų | 124.8 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | cis | -148.3 | 173.1 | -20.6 | 40 | -20.3 | 0 | 0 | 0 | 118.5 | ||||
| 687 | D | 41.9 | Very low | 41.3 | Very low | 132 Ų | 132 | 119.4 Ų | 119.4 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | 59.1 | 141.5 | 138.6 | -83.3 | 0.1 | 0 | 0 | 0 | 121.8 | ||||
| 688 | Q | 41.1 | Very low | 40.9 | Very low | 170 Ų | 170 | 121.6 Ų | 121.6 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | cis | -158.6 | 161.1 | 23.4 | -127.5 | 158.8 | 71.9 | 0 | 0 | 111.3 | ||||
| 689 | S | 38.5 | Very low | 40.5 | Very low | 98 Ų | 98 | 120.9 Ų | 120.9 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | trans | -84.8 | 160.3 | -160.4 | 49.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 690 | S | 38.6 | Very low | 39.5 | Very low | 92 Ų | 92 | 122 Ų | 122 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | trans | 63.8 | 124 | 135.2 | 63.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 691 | F | 35.8 | Very low | 39.2 | Very low | 188 Ų | 188 | 121.9 Ų | 121.9 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | 175.1 | 120 | 110.8 | -111.8 | -113.3 | 0 | 0 | 0 | 109.2 | |||||
| 692 | V | 38.9 | Very low | 39 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 70% | 0.703 | 77% | 0.769 | S | S | * | * | 80.1 | 111.8 | 103.4 | -178.2 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 693 | A | 32.8 | Very low | 39.1 | Very low | 88 Ų | 88 | 124.1 Ų | 124.1 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | 51.1 | 133.5 | 136.3 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 694 | A | 31.2 | Very low | 40.1 | Very low | 96 Ų | 96 | 125.3 Ų | 125.3 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | trans | 85.3 | 126.4 | 131.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 695 | A | 31.1 | Very low | 40.6 | Very low | 97 Ų | 97 | 121.8 Ų | 121.8 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | trans | 86 | 115.9 | 137.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 696 | A | 33.3 | Very low | 40.3 | Very low | 90 Ų | 90 | 120.9 Ų | 120.9 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | 88.2 | 134.4 | 129.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 697 | S | 38.7 | Very low | 40 | Very low | 108 Ų | 108 | 120.6 Ų | 120.6 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | 75.8 | 103.3 | 151.2 | 51.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 698 | S | 35.4 | Very low | 40 | Very low | 124 Ų | 124 | 118.7 Ų | 118.7 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | 37.2 | 118.4 | 119.9 | -48.8 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 699 | A | 38.5 | Very low | 40 | Very low | 106 Ų | 106 | 117.2 Ų | 117.2 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | 175 | 145.1 | 125 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 700 | E | 37.6 | Very low | 39.9 | Very low | 141 Ų | 141 | 116.5 Ų | 116.5 | 66% | 0.659 | 78% | 0.782 | S | S | * | * | trans | -53.5 | 173.8 | -175.1 | -77.3 | 172.6 | 75 | 0 | 0 | 118.5 | Q702 | E700-Q702 WeakPolarHBondContact OE1-CG 3.22Å; E700-Q702 PolarHBondContact OE1-NE2 3.05Å | ||
| 701 | P | 43.6 | Very low | 39.9 | Very low | 134 Ų | 134 | 116.4 Ų | 116.4 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | -134.2 | 134.3 | 105.7 | 35.1 | -23.2 | 0 | 0 | 0 | 115.9 | |||||
| 702 | Q | 39.3 | Very low | 40 | Very low | 158 Ų | 158 | 116 Ų | 116 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 166.1 | 170.2 | -113.3 | 171.3 | 54.3 | 0 | 0 | 113.1 | E700 | E700-Q702 WeakPolarHBondContact OE1-CG 3.22Å; E700-Q702 PolarHBondContact OE1-NE2 3.05Å |
| 703 | M | 45.1 | Very low | 40 | Very low | 160 Ų | 160 | 117.2 Ų | 117.2 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 166.8 | 175.4 | -57 | -151.8 | -53.8 | 0 | 0 | 116.3 | ||
| 704 | P | 64.1 | Low | 40.2 | Very low | 125 Ų | 125 | 118.9 Ų | 118.9 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 135.6 | 158.8 | 34.2 | -29.3 | 0 | 0 | 0 | 113.4 | ||
| 705 | P | 52.2 | Low | 40.9 | Very low | 116 Ų | 116 | 118.9 Ų | 118.9 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -128.9 | 174.2 | 158.1 | 38.4 | -24.9 | 0 | 0 | 0 | 114.9 | ||||
| 706 | A | 41.6 | Very low | 41.1 | Very low | 102 Ų | 102 | 121.8 Ų | 121.8 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | 91.6 | 140.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 707 | A | 40.7 | Very low | 41.2 | Very low | 92 Ų | 92 | 124.4 Ų | 124.4 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | cis | -162.3 | 149.2 | 25.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 708 | A | 41.3 | Very low | 41.1 | Very low | 92 Ų | 92 | 122.8 Ų | 122.8 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | 60.5 | 134.6 | 135.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 709 | T | 41.8 | Very low | 41.3 | Very low | 139 Ų | 139 | 125 Ų | 125 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | cis | -165.9 | 137.9 | 32.7 | 33 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 710 | G | 35.9 | Very low | 41.2 | Very low | 83 Ų | 83 | 127.2 Ų | 127.2 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | 74.8 | 133.3 | 110.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 711 | A | 39.3 | Very low | 41.3 | Very low | 89 Ų | 89 | 125.4 Ų | 125.4 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | cis | -163.7 | 132.1 | 9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 712 | M | 37.7 | Very low | 41 | Very low | 181 Ų | 181 | 127 Ų | 127 | 89% | 0.892 | 78% | 0.781 | S | S | * | * | 77.4 | 137.9 | 105.8 | -62.9 | -171.4 | 177.3 | 0 | 0 | 118.5 | |||||
| 713 | V | 39.2 | Very low | 41 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | 103.5 | 89.5 | 151.5 | -162.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 714 | T | 36.3 | Very low | 40.6 | Very low | 123 Ų | 123 | 123.8 Ų | 123.8 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -74.3 | 177.4 | 140 | 50.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 715 | P | 45.4 | Very low | 39.5 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 63% | 0.63 | 78% | 0.778 | S | S | * | * | cis | -150.5 | -169.1 | 15.9 | 40.3 | -16.3 | 0 | 0 | 0 | 116.7 | ||||
| 716 | Q | 36.4 | Very low | 38.9 | Very low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | 83 | 130.1 | 138.9 | -86.1 | 166.1 | 9 | 0 | 0 | 123.5 | ||||
| 717 | N | 34 | Very low | 39.2 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | 68.2 | 151 | 141.8 | -61.3 | -15.2 | 0 | 0 | 0 | 117.1 | ||||
| 718 | A | 37.9 | Very low | 39.2 | Very low | 73 Ų | 73 | 135.8 Ų | 135.8 | 60% | 0.603 | 78% | 0.783 | S | S | * | * | cis | -172.7 | 146.6 | -2.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 719 | E | 39.6 | Very low | 39 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 60.1 | 132.6 | 133.5 | -58.8 | 174.8 | 153.1 | 0 | 0 | 122.4 | ||||
| 720 | D | 35.7 | Very low | 39 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | 55.8 | 115 | 140.1 | -63.5 | -42.3 | 0 | 0 | 0 | 120.9 | ||||
| 721 | A | 41.1 | Very low | 39.1 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | -175.3 | 129.9 | 113.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 722 | Q | 36.6 | Very low | 39 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | trans | -66 | 164.4 | 171.6 | -62 | 158.2 | -18.1 | 0 | 0 | 112.6 | ||||
| 723 | Q | 39.7 | Very low | 39.2 | Very low | 168 Ų | 168 | 144.8 Ų | 144.8 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | 130 | 97.5 | 144 | -74.3 | 156 | 8.2 | 0 | 0 | 112.2 | ||||
| 724 | S | 35.4 | Very low | 39.2 | Very low | 83 Ų | 83 | 148.9 Ų | 148.9 | 58% | 0.58 | 78% | 0.775 | S | S | * | * | 70.5 | 111.3 | 91 | 78.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 725 | Y | 41.6 | Very low | 39.1 | Very low | 232 Ų | 232 | 147 Ų | 147 | 91% | 0.91 | 78% | 0.78 | S | S | * | * | 174.2 | 156.5 | 101.9 | -96.8 | -79.5 | 0 | 0 | 0 | 110.2 | |||||
| 726 | K | 39.9 | Very low | 38.7 | Very low | 203 Ų | 203 | 146.2 Ų | 146.2 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -91.5 | 174.7 | -165 | -98 | -175 | -178.4 | -179.5 | 0 | 113.2 | ||||
| 727 | P | 46.9 | Very low | 38.8 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | trans | -98.7 | 166.8 | -156.3 | 39.7 | -34.2 | 0 | 0 | 0 | 113.9 | ||||
| 728 | T | 41.9 | Very low | 39.2 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | trans | -155.2 | 146.4 | 158.4 | 37.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 729 | D | 37 | Very low | 39.2 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | -58.1 | 168.7 | -178.4 | -53.1 | -82.1 | 0 | 0 | 0 | 116.7 | ||||
| 730 | V | 41.6 | Very low | 39.1 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | trans | 145.2 | 102.8 | 131 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 731 | E | 37.3 | Very low | 39.3 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | 52.4 | 119.8 | 123.6 | -145.7 | 152.3 | 126.4 | 0 | 0 | 122.5 | |||||
| 732 | Q | 38 | Very low | 39.2 | Very low | 156 Ų | 156 | 142 Ų | 142 | 73% | 0.729 | 81% | 0.809 | S | S | * | * | trans | 50.3 | 118.6 | 140.4 | -66.7 | 162.5 | 27.1 | 0 | 0 | 119.8 | ||||
| 733 | Q | 41.5 | Very low | 39.5 | Very low | 184 Ų | 184 | 141.7 Ų | 141.7 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | -175.7 | 127.4 | 113.1 | -100.4 | 169 | 1.5 | 0 | 0 | 113.3 | |||||
| 734 | Y | 39.5 | Very low | 39.7 | Very low | 227 Ų | 227 | 140 Ų | 140 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | trans | 30.8 | 112.7 | 140.3 | -85.8 | -96.7 | 0 | 0 | 0 | 121.2 | ||||
| 735 | G | 33.7 | Very low | 40.1 | Very low | 84 Ų | 84 | 145.5 Ų | 145.5 | 87% | 0.866 | 83% | 0.828 | S | S | * | * | 71.7 | 104.4 | 110.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 736 | G | 38 | Very low | 40.2 | Very low | 79 Ų | 79 | 138 Ų | 138 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | -162.6 | 95.1 | 165 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 737 | T | 37.9 | Very low | 40.1 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 83% | 0.828 | 82% | 0.82 | S | S | * | * | trans | -70.3 | 127.2 | 174.1 | 46.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 738 | V | 42.7 | Very low | 40.2 | Very low | 145 Ų | 145 | 134 Ų | 134 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | trans | -161.3 | 129.7 | 141.1 | -127.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 739 | A | 38.6 | Very low | 40.3 | Very low | 95 Ų | 95 | 132.4 Ų | 132.4 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | trans | 64.4 | 123 | 139.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 740 | A | 37.2 | Very low | 40.7 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | trans | -61.3 | 144.2 | 171 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 741 | G | 39.5 | Very low | 41.5 | Very low | 75 Ų | 75 | 128 Ų | 128 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | trans | -161.7 | 105 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 742 | N | 38.9 | Very low | 42.9 | Very low | 156 Ų | 156 | 126.6 Ų | 126.6 | 83% | 0.834 | 83% | 0.831 | S | S | * | * | trans | -52.7 | 146.5 | 173.8 | -67.3 | -30.4 | 0 | 0 | 0 | 111.5 | ||||
| 743 | I | 42.2 | Very low | 44.5 | Very low | 161 Ų | 161 | 124.7 Ų | 124.7 | 83% | 0.826 | 83% | 0.832 | S | S | * | * | trans | 178.1 | 114 | 133.6 | -88.2 | 150 | 0 | 0 | 0 | 110.2 | ||||
| 744 | V | 44.6 | Very low | 46.2 | Very low | 134 Ų | 134 | 121.5 Ų | 121.5 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | trans | 59.2 | 99.6 | 142.1 | -171.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 745 | E | 44.5 | Very low | 47.9 | Very low | 198 Ų | 198 | 116.5 Ų | 116.5 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | -89.2 | 119.9 | 158 | -73.9 | -173.2 | 145.5 | 0 | 0 | 110.9 | ||||
| 746 | G | 42.7 | Very low | 49.8 | Very low | 74 Ų | 74 | 118.1 Ų | 118.1 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | -88.6 | 136.3 | 144.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 747 | G | 38.7 | Very low | 51.5 | Low | 82 Ų | 82 | 119.9 Ų | 119.9 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | cis | 108.2 | 70.4 | 48.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 748 | V | 47.8 | Very low | 53.2 | Low | 149 Ų | 149 | 119.1 Ų | 119.1 | 90% | 0.903 | 81% | 0.812 | S | S | * | * | trans | -114.5 | 129.6 | 170.8 | -99.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 749 | A | 45.3 | Very low | 54.1 | Low | 106 Ų | 106 | 118.2 Ų | 118.2 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 132.6 | -159.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 750 | A | 45.3 | Very low | 54.8 | Low | 97 Ų | 97 | 118.5 Ų | 118.5 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 135 | 164 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 751 | A | 58.6 | Low | 55.8 | Low | 92 Ų | 92 | 119.4 Ų | 119.4 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 143.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 752 | P | 66 | Low | 56.4 | Low | 121 Ų | 121 | 121.7 Ų | 121.7 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 145.2 | -175.7 | 28.8 | -34.4 | 0 | 0 | 0 | 112.6 | ||
| 753 | P | 72.3 | Confident | 57 | Low | 117 Ų | 117 | 125.3 Ų | 125.3 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 154.8 | 174.8 | 30.4 | -34.4 | 0 | 0 | 0 | 112.2 | ||
| 754 | P | 75.7 | Confident | 57.1 | Low | 117 Ų | 117 | 122.2 Ų | 122.2 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 152.6 | 179.5 | 28.5 | -35.2 | 0 | 0 | 0 | 112.6 | ||
| 755 | P | 75.4 | Confident | 57 | Low | 122 Ų | 122 | 120.6 Ų | 120.6 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 148.7 | -175.7 | 28.5 | -34.9 | 0 | 0 | 0 | 113.1 | ||
| 756 | P | 73.6 | Confident | 57.5 | Low | 117 Ų | 117 | 120 Ų | 120 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73 | 154.1 | 177.4 | 30.6 | -34.6 | 0 | 0 | 0 | 112.5 | ||
| 757 | P | 74.5 | Confident | 58 | Low | 117 Ų | 117 | 122.3 Ų | 122.3 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 153 | 176.1 | 28.8 | -34.7 | 0 | 0 | 0 | 112.3 | ||
| 758 | P | 73.3 | Confident | 58.3 | Low | 118 Ų | 118 | 124.2 Ų | 124.2 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 150.9 | -176 | 27.5 | -34.9 | 0 | 0 | 0 | 113.3 | ||
| 759 | P | 61 | Low | 58.1 | Low | 126 Ų | 126 | 125.5 Ų | 125.5 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 138.7 | -175 | 29.7 | -34.4 | 0 | 0 | 0 | 113 | ||
| 760 | A | 54.5 | Low | 57.8 | Low | 102 Ų | 102 | 128.3 Ų | 128.3 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 126.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 761 | V | 58.4 | Low | 57.7 | Low | 126 Ų | 126 | 130.3 Ų | 130.3 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69 | 136.9 | 173.2 | -94.4 | 0 | 0 | 0 | 0 | 111.7 | ||
| 762 | P | 50.5 | Low | 56.7 | Low | 124 Ų | 124 | 128.7 Ų | 128.7 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 124 | 176.3 | 33.7 | -28.3 | 0 | 0 | 0 | 110.7 | ||
| 763 | Y | 51 | Low | 55.7 | Low | 231 Ų | 231 | 130.4 Ų | 130.4 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 127.4 | 167.4 | -101.1 | -90.6 | 0 | 0 | 0 | 110.4 | ||
| 764 | A | 46.3 | Very low | 54.1 | Low | 97 Ų | 97 | 132.3 Ų | 132.3 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 144 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 765 | A | 40.7 | Very low | 52.9 | Low | 99 Ų | 99 | 131.8 Ų | 131.8 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 144.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 766 | M | 55.6 | Low | 51.3 | Low | 185 Ų | 185 | 135.9 Ų | 135.9 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | -121.5 | 139.8 | 157.2 | -68.9 | -165.8 | 168.6 | 0 | 0 | 109.6 | ||||
| 767 | P | 54.1 | Low | 49.5 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | trans | -91.8 | 160 | -170.2 | 35.9 | -35.2 | 0 | 0 | 0 | 114.6 | ||||
| 768 | P | 44.1 | Very low | 48 | Very low | 121 Ų | 121 | 139 Ų | 139 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -101.8 | 151.8 | -172.3 | 38.4 | -31.3 | 0 | 0 | 0 | 114.3 | ||||
| 769 | Q | 44.2 | Very low | 46.4 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | -143.5 | 111.1 | 165.5 | -68.6 | -83.3 | -24 | 0 | 0 | 107.8 | ||||
| 770 | F | 38.3 | Very low | 45.8 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | 85.5 | 93.6 | 100.9 | -132.2 | -92.8 | 0 | 0 | 0 | 112.8 | |||||
| 771 | I | 43.4 | Very low | 45.2 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | 74.9 | 129.4 | 94.4 | -69 | 159.2 | 0 | 0 | 0 | 114.5 | |||||
| 772 | G | 37.3 | Very low | 44.7 | Very low | 59 Ų | 59 | 140.6 Ų | 140.6 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | trans | 150.9 | 85.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 773 | M | 45.7 | Very low | 45 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | 82.7 | 102.6 | 96.5 | -80.4 | 163.2 | 61 | 0 | 0 | 114.5 | |||||
| 774 | H | 38.5 | Very low | 45.3 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | 175.8 | 132.1 | 97.9 | -108.6 | -79.3 | 0 | 0 | 0 | 112.8 | |||||
| 775 | P | 49.8 | Very low | 46.1 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | trans | -109.5 | 161.4 | 174.1 | 39.3 | -30.1 | 0 | 0 | 0 | 112.7 | ||||
| 776 | Y | 41.7 | Very low | 47.3 | Very low | 209 Ų | 209 | 138.5 Ų | 138.5 | 82% | 0.82 | 78% | 0.775 | S | S | * | * | trans | 169.7 | 135.6 | 155 | -92.3 | -66.6 | 0 | 0 | 0 | 104.3 | ||||
| 777 | F | 37.5 | Very low | 48.1 | Very low | 187 Ų | 187 | 134.8 Ų | 134.8 | 82% | 0.82 | 77% | 0.765 | S | S | * | * | cis | -163.9 | 147.5 | 34 | -146.9 | -92.7 | 0 | 0 | 0 | 108.9 | ||||
| 778 | S | 42.5 | Very low | 49 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -65.9 | 158.6 | -180 | -56.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 779 | G | 39.3 | Very low | 50.5 | Low | 59 Ų | 59 | 134 Ų | 134 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | trans | 160.9 | 102.9 | 149.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 780 | Y | 49.1 | Very low | 51.9 | Low | 239 Ų | 239 | 131 Ų | 131 | 94% | 0.937 | 76% | 0.756 | S | S | * | * | trans | 24.4 | 120.8 | 144.8 | -50.9 | -85.4 | 0 | 0 | 0 | 117.7 | ||||
| 781 | G | 41.4 | Very low | 53.7 | Low | 73 Ų | 73 | 128.6 Ų | 128.6 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | cis | 120.8 | 101.8 | 42.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 782 | V | 47.6 | Very low | 55.1 | Low | 133 Ų | 133 | 127.4 Ų | 127.4 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | trans | -150.2 | 125.5 | 160.4 | -172.6 | 0 | 0 | 0 | 0 | 108 | T784 | V782-T784 PolarHBondContact O-N 3.16Š| ||
| 783 | P | 57.2 | Low | 56.8 | Low | 122 Ų | 122 | 130 Ų | 130 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 125.7 | 176.4 | 29.8 | -31 | 0 | 0 | 0 | 110.2 | ||
| 784 | T | 56 | Low | 58.2 | Low | 130 Ų | 130 | 128.1 Ų | 128.1 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 135.6 | 171 | 39.8 | 0 | 0 | 0 | 0 | 110.3 | V782 | V782-T784 PolarHBondContact O-N 3.16Š|
| 785 | P | 63.6 | Low | 59.5 | Low | 123 Ų | 123 | 126 Ų | 126 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 133.9 | -178.7 | 28 | -32.4 | 0 | 0 | 0 | 111.3 | ||
| 786 | V | 67.3 | Low | 60.1 | Low | 132 Ų | 132 | 126.6 Ų | 126.6 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 129.9 | 172.4 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | ||
| 787 | P | 72.3 | Confident | 60.5 | Low | 107 Ų | 107 | 120.3 Ų | 120.3 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 142.4 | 177 | 26.2 | -33.3 | 0 | 0 | 0 | 110.9 | ||
| 788 | P | 72.5 | Confident | 60.9 | Low | 115 Ų | 115 | 119.6 Ų | 119.6 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -64 | 149 | 177.5 | 27.1 | -33.9 | 0 | 0 | 0 | 111.2 | ||
| 789 | P | 75.1 | Confident | 61 | Low | 113 Ų | 113 | 120.8 Ų | 120.8 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 148.4 | 175.4 | 26.3 | -34.2 | 0 | 0 | 0 | 110.9 | ||
| 790 | P | 74 | Confident | 61.4 | Low | 115 Ų | 115 | 125.1 Ų | 125.1 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 143.6 | 177.5 | 25.3 | -33.7 | 0 | 0 | 0 | 110.5 | ||
| 791 | P | 75 | Confident | 61.5 | Low | 114 Ų | 114 | 121.8 Ų | 121.8 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 143.8 | 176.2 | 25.7 | -33.4 | 0 | 0 | 0 | 110 | ||
| 792 | P | 74.6 | Confident | 61.8 | Low | 114 Ų | 114 | 126.8 Ų | 126.8 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -59 | 146.9 | 176 | 25.7 | -33.6 | 0 | 0 | 0 | 110.1 | ||
| 793 | P | 73.2 | Confident | 61.8 | Low | 113 Ų | 113 | 128.2 Ų | 128.2 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 145.5 | 174 | 25 | -33.5 | 0 | 0 | 0 | 109.7 | ||
| 794 | P | 74.6 | Confident | 62.1 | Low | 117 Ų | 117 | 129.6 Ų | 129.6 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 143 | 175.7 | 24.3 | -33 | 0 | 0 | 0 | 109.4 | ||
| 795 | P | 65.7 | Low | 63 | Low | 113 Ų | 113 | 128.4 Ų | 128.4 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 143.3 | 177.8 | 24.4 | -33.4 | 0 | 0 | 0 | 109.3 | A797 | P795-A797 PolarHBondContact O-N 3.08Å; P795-A797 VanDerWaalsContact O-N 3.08Å |
| 796 | P | 61.6 | Low | 63.4 | Low | 117 Ų | 117 | 128.1 Ų | 128.1 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 124.8 | 175.9 | 23.6 | -32.2 | 0 | 0 | 0 | 107.6 | Q798 | P796-Q798 PolarHBondContact O-N 2.86Š|
| 797 | A | 51.5 | Low | 63.8 | Low | 77 Ų | 77 | 127.3 Ų | 127.3 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | -48.5 | 106 | 177.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | P795 N799 | P795-A797 PolarHBondContact O-N 3.08Å; P795-A797 VanDerWaalsContact O-N 3.08Å; A797-N799 PolarHBondContact O-N 2.8Å | ||
| 798 | Q | 45.4 | Very low | 64.1 | Low | 173 Ų | 173 | 127.6 Ų | 127.6 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -62.6 | 110.7 | 164.9 | -65.9 | -172.8 | -39.4 | 0 | 0 | 104 | P796 E800 | P796-Q798 PolarHBondContact O-N 2.86Å; Q798-E800 PolarHBondContact O-N 3.47Å |
| 799 | N | 44.8 | Very low | 64.5 | Low | 137 Ų | 137 | 127.8 Ų | 127.8 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | 44.1 | 65 | 161.2 | 55 | -55.1 | 0 | 0 | 0 | 115.5 | A797 E801 | A797-N799 PolarHBondContact O-N 2.8Å; N799-E801 PolarHBondContact O-N 2.78Å | ||
| 800 | E | 46.9 | Very low | 64.7 | Low | 150 Ų | 150 | 127.9 Ų | 127.9 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | -83.1 | 54.8 | 148.1 | -88.1 | -170.4 | 109.2 | 0 | 0 | 109.6 | Q798 | Q798-E800 PolarHBondContact O-N 3.47Š| ||
| 801 | E | 51.7 | Low | 65 | Low | 170 Ų | 170 | 127.8 Ų | 127.8 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | trans | -88.8 | 119.7 | 147.1 | -95.7 | 174.4 | 82.7 | 0 | 0 | 105.3 | N799 | N799-E801 PolarHBondContact O-N 2.78Š| ||
| 802 | Q | 48 | Very low | 65.3 | Low | 177 Ų | 177 | 127.9 Ų | 127.9 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | trans | 85 | 63.6 | 176.9 | -48.7 | 173.9 | 23.9 | 0 | 0 | 116.9 | ||||
| 803 | M | 47.1 | Very low | 65.4 | Low | 163 Ų | 163 | 127.9 Ų | 127.9 | 80% | 0.803 | 75% | 0.75 | S | S | * | * | trans | -118.9 | 66.2 | 149.9 | -140.9 | 90.7 | 158.5 | 0 | 0 | 108.5 | ||||
| 804 | L | 64.1 | Low | 65.7 | Low | 151 Ų | 151 | 128 Ų | 128 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 140.1 | 165.3 | -76.2 | 165.5 | 0 | 0 | 0 | 108 | ||
| 805 | P | 73.6 | Confident | 65.9 | Low | 105 Ų | 105 | 127.9 Ų | 127.9 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 142.8 | 170.9 | 25.2 | -33.3 | 0 | 0 | 0 | 108.7 | ||
| 806 | P | 73.6 | Confident | 66.3 | Low | 118 Ų | 118 | 128 Ų | 128 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -55 | 135.4 | 178.5 | 24.4 | -33.3 | 0 | 0 | 0 | 108.6 | ||
| 807 | P | 74.5 | Confident | 66.7 | Low | 115 Ų | 115 | 127.9 Ų | 127.9 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 143.3 | 177.6 | 24.8 | -33.2 | 0 | 0 | 0 | 109.2 | ||
| 808 | P | 79.2 | Confident | 67.4 | Low | 113 Ų | 113 | 130.3 Ų | 130.3 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 144.6 | 174.2 | 25.4 | -33.6 | 0 | 0 | 0 | 109.5 | ||
| 809 | P | 80.9 | Confident | 67.8 | Low | 118 Ų | 118 | 128 Ų | 128 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 143.2 | 177.9 | 25 | -33.5 | 0 | 0 | 0 | 109.9 | ||
| 810 | P | 78.6 | Confident | 68 | Low | 115 Ų | 115 | 125.2 Ų | 125.2 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 144.7 | 177.7 | 25.4 | -33.5 | 0 | 0 | 0 | 110.2 | ||
| 811 | P | 80.5 | Confident | 67.8 | Low | 114 Ų | 114 | 121.6 Ų | 121.6 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59 | 145.4 | 174.3 | 26 | -33.5 | 0 | 0 | 0 | 110 | ||
| 812 | P | 80.8 | Confident | 67.4 | Low | 115 Ų | 115 | 117.5 Ų | 117.5 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 146 | 176.4 | 26.1 | -33.7 | 0 | 0 | 0 | 110.4 | ||
| 813 | P | 78.1 | Confident | 67.2 | Low | 115 Ų | 115 | 115.6 Ų | 115.6 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 144.5 | 176.6 | 25.6 | -33.4 | 0 | 0 | 0 | 110.4 | ||
| 814 | P | 78 | Confident | 67.4 | Low | 116 Ų | 116 | 117.7 Ų | 117.7 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 146.3 | 175.9 | 26.4 | -33.7 | 0 | 0 | 0 | 110.5 | ||
| 815 | P | 78.3 | Confident | 66.3 | Low | 114 Ų | 114 | 120.4 Ų | 120.4 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 147.8 | 174.6 | 26.6 | -33.7 | 0 | 0 | 0 | 110.5 | ||
| 816 | P | 74.2 | Confident | 64.8 | Low | 114 Ų | 114 | 119.9 Ų | 119.9 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -59 | 141 | 175.8 | 25.8 | -33.4 | 0 | 0 | 0 | 109.9 | ||
| 817 | P | 70.4 | Confident | 63.8 | Low | 116 Ų | 116 | 123 Ų | 123 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 137.9 | 178.2 | 25.7 | -33.1 | 0 | 0 | 0 | 109.7 | S819 | P817-S819 PolarHBondContact O-N 3.31Š|
| 818 | P | 67 | Low | 62.5 | Low | 127 Ų | 127 | 126.3 Ų | 126.3 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 124.9 | 171.4 | 25.2 | -31.4 | 0 | 0 | 0 | 109.2 | G820 | P818-G820 PolarHBondContact O-N 3.43Š|
| 819 | S | 54.5 | Low | 60.8 | Low | 125 Ų | 125 | 129.3 Ų | 129.3 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 122.4 | 168 | 47.5 | 0 | 0 | 0 | 0 | 110.5 | P817 | P817-S819 PolarHBondContact O-N 3.31Š|
| 820 | G | 48.3 | Very low | 59.3 | Low | 78 Ų | 78 | 129.5 Ų | 129.5 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 130.5 | 130.8 | 157.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | P818 | P818-G820 PolarHBondContact O-N 3.43Š| ||
| 821 | G | 41.4 | Very low | 57.8 | Low | 75 Ų | 75 | 128.8 Ų | 128.8 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | 93.2 | 79.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 822 | A | 44.6 | Very low | 56.9 | Low | 83 Ų | 83 | 127.9 Ų | 127.9 | 69% | 0.686 | 80% | 0.804 | S | S | * | * | 67.7 | 109.4 | 78.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 823 | D | 44.3 | Very low | 56.4 | Low | 137 Ų | 137 | 128.2 Ų | 128.2 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | trans | 83.2 | 145.5 | 142.5 | -47.2 | -31.9 | 0 | 0 | 0 | 119.5 | ||||
| 824 | Y | 49.8 | Very low | 56.2 | Low | 208 Ų | 208 | 128.5 Ų | 128.5 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | trans | 85.3 | 79.7 | 172.3 | -53.7 | -80 | 0 | 0 | 0 | 117.3 | ||||
| 825 | F | 41.4 | Very low | 56.1 | Low | 208 Ų | 208 | 128.8 Ų | 128.8 | 91% | 0.912 | 81% | 0.81 | S | S | * | * | 165.4 | 82.1 | 110.3 | -99.7 | -86.5 | 0 | 0 | 0 | 109.7 | |||||
| 826 | A | 43.4 | Very low | 56 | Low | 94 Ų | 94 | 129 Ų | 129 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | trans | -108.1 | 107.1 | 159.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 827 | E | 51 | Low | 56.1 | Low | 183 Ų | 183 | 129.2 Ų | 129.2 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | trans | -172.1 | 99.2 | 157.2 | -116.1 | 169.8 | 148.8 | 0 | 0 | 109.4 | ||||
| 828 | L | 46.8 | Very low | 56.4 | Low | 184 Ų | 184 | 129.3 Ų | 129.3 | 96% | 0.963 | 81% | 0.813 | S | S | * | * | trans | 161.2 | 59 | 146.9 | -84.7 | 162.1 | 0 | 0 | 0 | 108.7 | ||||
| 829 | L | 45.3 | Very low | 56.6 | Low | 176 Ų | 176 | 129.4 Ų | 129.4 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -100.7 | 152 | 158.1 | -100.5 | 138.1 | 0 | 0 | 0 | 107.5 | ||||
| 830 | S | 48.7 | Very low | 57.1 | Low | 122 Ų | 122 | 128.2 Ų | 128.2 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | 103.3 | 93.9 | 155.5 | -152.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 831 | A | 47.9 | Very low | 57.4 | Low | 100 Ų | 100 | 129.4 Ų | 129.4 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | -177.7 | 85 | 129.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 832 | A | 61.1 | Low | 58.2 | Low | 96 Ų | 96 | 136.1 Ų | 136.1 | 79% | 0.793 | 84% | 0.84 | S | S | * | * | trans | -142 | 113.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 833 | P | 69.6 | Low | 58.9 | Low | 122 Ų | 122 | 138.8 Ų | 138.8 | 79% | 0.792 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 146.6 | 177.9 | 31 | -32.8 | 0 | 0 | 0 | 111.5 | ||
| 834 | P | 73.3 | Confident | 59.7 | Low | 121 Ų | 121 | 138.8 Ų | 138.8 | 79% | 0.786 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 145.2 | 174.6 | 32.4 | -33.2 | 0 | 0 | 0 | 112.1 | ||
| 835 | P | 76.1 | Confident | 60.2 | Low | 122 Ų | 122 | 135 Ų | 135 | 79% | 0.792 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 150.7 | 170.9 | 29.9 | -33 | 0 | 0 | 0 | 113 | ||
| 836 | P | 76.5 | Confident | 61.3 | Low | 119 Ų | 119 | 130.7 Ų | 130.7 | 77% | 0.773 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 160.6 | -169.6 | 31.4 | -36.7 | 0 | 0 | 0 | 115.4 | ||
| 837 | P | 77.9 | Confident | 62.4 | Low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 156.7 | -179 | 31.3 | -35.5 | 0 | 0 | 0 | 113.9 | ||
| 838 | P | 75.5 | Confident | 63.2 | Low | 118 Ų | 118 | 129.7 Ų | 129.7 | 77% | 0.766 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 149 | -177.8 | 29.4 | -34.9 | 0 | 0 | 0 | 113 | ||
| 839 | P | 71.7 | Confident | 64.4 | Low | 130 Ų | 130 | 125.8 Ų | 125.8 | 84% | 0.844 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 137.3 | -174.7 | 28 | -33.7 | 0 | 0 | 0 | 112.8 | ||
| 840 | A | 64.2 | Low | 65.8 | Low | 100 Ų | 100 | 121.9 Ų | 121.9 | 83% | 0.826 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -69 | 137.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 841 | A | 55.8 | Low | 67.3 | Low | 103 Ų | 103 | 121.9 Ų | 121.9 | 85% | 0.851 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 132.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 842 | V | 57.5 | Low | 69 | Low | 215 Ų | 215 | 123.9 Ų | 123.9 | 100% | 1.303 | 84% | 0.844 | S | S | * | * | trans | -113.3 | 0 | 150.5 | 178 | 0 | 0 | 0 | 0 | 106.9 |
Retrieved 842 of 842 residues in 497.4 ms
(Link to these results)