| 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 | 34.9 | Very low | 34.4 | Very low | 235 Ų | 235 | 162.8 Ų | 162.8 | 100% | 1.158 | 82% | 0.824 | S | S | * | * | 0 | 126.8 | 0 | -81.9 | 172.8 | 166.2 | 0 | 0 | 108.2 | |||||
| 2 | H | 39.3 | Very low | 33.8 | Very low | 179 Ų | 179 | 166.9 Ų | 166.9 | 83% | 0.829 | 83% | 0.832 | S | S | * | * | trans | 55.3 | 104.8 | 170.5 | -61.1 | -44.1 | 0 | 0 | 0 | 118.5 | ||||
| 3 | C | 33.3 | Very low | 33.3 | Very low | 104 Ų | 104 | 167.8 Ų | 167.8 | 70% | 0.703 | 84% | 0.836 | S | S | * | * | 78.4 | 108.5 | 71.2 | -81.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 4 | F | 33.3 | Very low | 33 | Very low | 179 Ų | 179 | 163.4 Ų | 163.4 | 79% | 0.785 | 84% | 0.838 | S | S | * | * | 50.9 | 117.4 | 123.8 | -83.4 | -79.3 | 0 | 0 | 0 | 118.9 | |||||
| 5 | R | 35.5 | Very low | 32.9 | Very low | 214 Ų | 214 | 158.9 Ų | 158.9 | 81% | 0.808 | 83% | 0.827 | S | S | * | * | 173.8 | 127.8 | 87.7 | -109.5 | 157.1 | -173.5 | -166.4 | 1.6 | 113 | |||||
| 6 | S | 34.3 | Very low | 32.7 | Very low | 109 Ų | 109 | 160.8 Ų | 160.8 | 76% | 0.762 | 83% | 0.83 | S | S | * | * | trans | -65.7 | 143.1 | 151.1 | 32.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 7 | F | 32.4 | Very low | 32.4 | Very low | 189 Ų | 189 | 154.9 Ų | 154.9 | 83% | 0.829 | 82% | 0.819 | S | S | * | * | trans | -116.5 | 121 | 165.9 | -95.4 | -83.9 | 0 | 0 | 0 | 109.3 | ||||
| 8 | P | 39.2 | Very low | 32.3 | Very low | 109 Ų | 109 | 156.7 Ų | 156.7 | 71% | 0.708 | 82% | 0.822 | S | S | * | * | trans | -93.1 | 149.2 | 159.3 | 34.7 | -26.4 | 0 | 0 | 0 | 109.7 | ||||
| 9 | L | 31.3 | Very low | 32.1 | Very low | 181 Ų | 181 | 155.6 Ų | 155.6 | 95% | 0.948 | 82% | 0.817 | S | S | * | * | trans | -121.4 | 119.8 | 163.6 | -87.7 | 166 | 0 | 0 | 0 | 109.6 | ||||
| 10 | Q | 32 | Very low | 32 | Very low | 173 Ų | 173 | 153.7 Ų | 153.7 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | trans | -104.9 | 134.4 | 179.4 | -158.5 | 162.9 | 9.7 | 0 | 0 | 107.5 | ||||
| 11 | T | 32.4 | Very low | 31.9 | Very low | 119 Ų | 119 | 152.9 Ų | 152.9 | 73% | 0.73 | 81% | 0.813 | S | S | * | * | trans | 23.9 | 128.1 | 144.6 | -33.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 12 | K | 27.2 | Very low | 31.7 | Very low | 212 Ų | 212 | 146.1 Ų | 146.1 | 92% | 0.922 | 79% | 0.794 | S | S | * | * | trans | -145.3 | 128.2 | 139.3 | -106.6 | -175.9 | -177.5 | -177.8 | 0 | 111.5 | ||||
| 13 | M | 28.3 | Very low | 31.2 | Very low | 179 Ų | 179 | 143.5 Ų | 143.5 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | -70.2 | 153.7 | 166.3 | -66.5 | -170.7 | 178.7 | 0 | 0 | 110.9 | ||||
| 14 | A | 28.8 | Very low | 31 | Very low | 105 Ų | 105 | 148 Ų | 148 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | trans | -135.1 | 122 | 149.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 15 | S | 30.6 | Very low | 30.7 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | trans | -83.9 | 155.3 | 178.5 | 47.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 16 | H | 30.4 | Very low | 30.3 | Very low | 189 Ų | 189 | 139.5 Ų | 139.5 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | trans | 158.9 | 124.1 | 139.2 | -83.6 | -65.2 | 0 | 0 | 0 | 105.5 | ||||
| 17 | G | 28 | Very low | 30.1 | Very low | 62 Ų | 62 | 141.7 Ų | 141.7 | 64% | 0.639 | 80% | 0.802 | S | S | * | * | cis | 129.1 | 101 | 17.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 18 | E | 30.6 | Very low | 29.9 | Very low | 187 Ų | 187 | 137.3 Ų | 137.3 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | 58.9 | 138.3 | 150.1 | -60.5 | 171.1 | 135.8 | 0 | 0 | 118.5 | ||||
| 19 | D | 28.6 | Very low | 29.3 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | -153.8 | 144.5 | 54.5 | -105.1 | -46.3 | 0 | 0 | 0 | 116 | |||||
| 20 | T | 29.9 | Very low | 29.1 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 71% | 0.712 | 80% | 0.798 | S | S | * | * | trans | 7.7 | 143.3 | 142.1 | 59.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 21 | V | 29.8 | Very low | 29.2 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | -161.4 | 141.2 | 74.4 | 164.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 22 | A | 30.3 | Very low | 29 | Very low | 92 Ų | 92 | 139.4 Ų | 139.4 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -89.5 | 156.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 23 | S | 29.3 | Very low | 29.4 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -150.6 | 121.3 | 148.3 | 54.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 24 | K | 28.6 | Very low | 29.6 | Very low | 199 Ų | 199 | 139.4 Ų | 139.4 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -77.2 | 148.6 | 171.6 | -112.5 | 172.5 | 173.4 | 175.4 | 0 | 110.6 | ||||
| 25 | A | 26.5 | Very low | 30 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | -157.2 | 153.7 | 143.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 26 | V | 28.2 | Very low | 30.4 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 66% | 0.655 | 80% | 0.803 | S | S | * | * | trans | -141.2 | 137 | -154.4 | 153.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 27 | I | 29.7 | Very low | 30.6 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 80% | 0.795 | 80% | 0.798 | S | S | * | * | trans | 69 | 143.7 | 157.6 | -59.7 | 164.1 | 0 | 0 | 0 | 115.5 | ||||
| 28 | S | 27.4 | Very low | 31.4 | Very low | 98 Ų | 98 | 144 Ų | 144 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | cis | -165.1 | 163 | 19.8 | 26.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 29 | D | 27.7 | Very low | 32.2 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | 13.5 | 134.1 | 150.5 | -72.1 | -46.9 | 0 | 0 | 0 | 121.8 | ||||
| 30 | E | 27.7 | Very low | 32.7 | Very low | 188 Ų | 188 | 139.4 Ų | 139.4 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | 177.4 | 161.6 | 95.6 | -131.9 | -177 | 129.2 | 0 | 0 | 112.1 | |||||
| 31 | Q | 32.7 | Very low | 33.5 | Very low | 181 Ų | 181 | 143.1 Ų | 143.1 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -66.6 | 147.4 | -174.4 | -63.9 | 173.3 | -28.1 | 0 | 0 | 114.5 | ||||
| 32 | A | 29.4 | Very low | 33.8 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -151.9 | 106.3 | 152.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 33 | E | 35.8 | Very low | 34.5 | Very low | 178 Ų | 178 | 145.3 Ų | 145.3 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -61 | 141.8 | 153.3 | -65.3 | 179.2 | 143.8 | 0 | 0 | 109.8 | ||||
| 34 | R | 32 | Very low | 35.2 | Very low | 213 Ų | 213 | 145.2 Ų | 145.2 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | 167.7 | 126.1 | 125.7 | -90.3 | 161.4 | -175 | -163.8 | 4.3 | 113.6 | |||||
| 35 | K | 35.9 | Very low | 36 | Very low | 177 Ų | 177 | 145 Ų | 145 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | 64.1 | 120.5 | 133.1 | -63.1 | 178 | 178.9 | -176.9 | 0 | 119.5 | T37 | K35-T37 PolarHBondContact O-N 2.89Š| ||
| 36 | T | 39.1 | Very low | 36.8 | Very low | 146 Ų | 146 | 145.9 Ų | 145.9 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | trans | -52.6 | 113 | 159.7 | 49.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 37 | T | 36.4 | Very low | 37.8 | Very low | 125 Ų | 125 | 147.2 Ų | 147.2 | 77% | 0.767 | 81% | 0.805 | S | S | * | * | trans | -81.6 | 113.6 | 169.2 | 48.1 | 0 | 0 | 0 | 0 | 109.4 | K35 V39 | K35-T37 PolarHBondContact O-N 2.89Å; T37-V39 PolarHBondContact O-N 2.79Å | ||
| 38 | A | 43.3 | Very low | 38.3 | Very low | 100 Ų | 100 | 147.8 Ų | 147.8 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -65.9 | 120 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | S40 | A38-S40 PolarHBondContact O-N 2.87Š| ||
| 39 | V | 47 | Very low | 38.8 | Very low | 112 Ų | 112 | 152.9 Ų | 152.9 | 68% | 0.679 | 82% | 0.82 | S | S | * | * | trans | -83.5 | 110.4 | 176.7 | -179.2 | 0 | 0 | 0 | 0 | 108 | T37 F41 | T37-V39 PolarHBondContact O-N 2.79Å; V39-F41 HydrophobicContact CG1-CD2 3.85Å; V39-F41 HydrophobicContact CG1-CE2 3.51Å; V39-F41 HydrophobicContact CG1-CZ 4.28Å | ||
| 40 | S | 39.6 | Very low | 39.2 | Very low | 115 Ų | 115 | 154.4 Ų | 154.4 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -96 | 122.1 | 169.6 | 50.3 | 0 | 0 | 0 | 0 | 109.7 | A38 | A38-S40 PolarHBondContact O-N 2.87Š| ||
| 41 | F | 47.9 | Very low | 39.6 | Very low | 193 Ų | 193 | 155.3 Ų | 155.3 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -92.7 | 113.1 | 172.3 | -84.4 | -88.8 | 0 | 0 | 0 | 109.8 | V39 | V39-F41 HydrophobicContact CG1-CD2 3.85Å; V39-F41 HydrophobicContact CG1-CE2 3.51Å; V39-F41 HydrophobicContact CG1-CZ 4.28Å | ||
| 42 | G | 36.1 | Very low | 40.3 | Very low | 71 Ų | 71 | 151.8 Ų | 151.8 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | -90.3 | 121.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | T44 | G42-T44 PolarHBondContact O-N 2.99Š| ||
| 43 | F | 43.8 | Very low | 40.5 | Very low | 205 Ų | 205 | 152.1 Ų | 152.1 | 90% | 0.899 | 82% | 0.816 | S | S | * | * | trans | -90.4 | 102.4 | 179 | -139.3 | -91.9 | 0 | 0 | 0 | 109.8 | K45 | F43-K45 PolarHBondContact O-N 3.37Š| ||
| 44 | T | 45.3 | Very low | 40.6 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | trans | -83.2 | 110.2 | 173.4 | 53 | 0 | 0 | 0 | 0 | 110 | G42 T46 | G42-T44 PolarHBondContact O-N 2.99Å; T44-T46 PolarHBondContact O-N 3.45Å | ||
| 45 | K | 43.4 | Very low | 40.9 | Very low | 194 Ų | 194 | 144.5 Ų | 144.5 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -74.7 | 98.2 | 172.9 | -121.1 | -178.7 | 178.7 | 178.6 | 0 | 109.5 | F43 | F43-K45 PolarHBondContact O-N 3.37Š| ||
| 46 | T | 44.8 | Very low | 40.9 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 76% | 0.761 | 82% | 0.818 | S | S | * | * | trans | -97.4 | 99.9 | 167.8 | 46.6 | 0 | 0 | 0 | 0 | 109.7 | T44 N48 | T44-T46 PolarHBondContact O-N 3.45Å; T46-N48 PolarHBondContact O-N 2.82Å | ||
| 47 | V | 48 | Very low | 41.2 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -83 | 101 | 164.8 | -94.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 48 | N | 41.1 | Very low | 41.4 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | -104.1 | 124.4 | 171.4 | -115.2 | 12.6 | 0 | 0 | 0 | 111.5 | T46 | T46-N48 PolarHBondContact O-N 2.82Š| ||
| 49 | K | 37.9 | Very low | 41.3 | Very low | 206 Ų | 206 | 139.6 Ų | 139.6 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | trans | -72.1 | 143.1 | 178.2 | -72.8 | 171.9 | 175.1 | 173.6 | 0 | 111 | ||||
| 50 | F | 36.8 | Very low | 41.2 | Very low | 188 Ų | 188 | 138.3 Ų | 138.3 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -42.4 | 149.9 | 176.7 | -107.9 | -103.6 | 0 | 0 | 0 | 117.9 | ||||
| 51 | K | 35.8 | Very low | 41.3 | Very low | 206 Ų | 206 | 144.3 Ų | 144.3 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | -164.4 | 141.4 | 115.2 | -101.8 | 179.1 | -174.6 | -176.7 | 0 | 111.6 | |||||
| 52 | P | 45.8 | Very low | 41.6 | Very low | 108 Ų | 108 | 141 Ų | 141 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | trans | -95.7 | 149.1 | -177.6 | 36.7 | -28.9 | 0 | 0 | 0 | 112.1 | ||||
| 53 | A | 33.7 | Very low | 42.5 | Very low | 107 Ų | 107 | 144 Ų | 144 | 88% | 0.884 | 81% | 0.811 | S | S | * | * | trans | -109 | 129.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 54 | T | 38.2 | Very low | 43.8 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | trans | -59.3 | 141.3 | -175.7 | -51.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 55 | G | 38.3 | Very low | 44.9 | Very low | 81 Ų | 81 | 139 Ų | 139 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | 141.1 | 81.1 | 150.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 56 | G | 37.2 | Very low | 46.5 | Very low | 67 Ų | 67 | 137.6 Ų | 137.6 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | 167.3 | 139.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 57 | P | 43.7 | Very low | 47.8 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | trans | -68.1 | 156.7 | -172.9 | 29.8 | -33.9 | 0 | 0 | 0 | 112.2 | T59 | P57-T59 PolarHBondContact O-N 2.84Š| ||
| 58 | P | 41.8 | Very low | 48.8 | Very low | 132 Ų | 132 | 136 Ų | 136 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | trans | -81.8 | 87.6 | -165.4 | 34.2 | -33 | 0 | 0 | 0 | 111 | ||||
| 59 | T | 42.1 | Very low | 50.5 | Low | 131 Ų | 131 | 129.4 Ų | 129.4 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -75.6 | 121.7 | 159.3 | 45.9 | 0 | 0 | 0 | 0 | 108.9 | P57 | P57-T59 PolarHBondContact O-N 2.84Š| ||
| 60 | A | 42.9 | Very low | 52.2 | Low | 84 Ų | 84 | 126.3 Ų | 126.3 | 69% | 0.694 | 72% | 0.72 | S | S | * | * | trans | 33.5 | 116.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | V62 | A60-V62 PolarHBondContact O-N 2.84Š| ||
| 61 | R | 43.7 | Very low | 53.6 | Low | 241 Ų | 241 | 122.1 Ų | 122.1 | 91% | 0.909 | 71% | 0.707 | S | S | * | * | trans | -50 | 101.3 | 165.5 | -67.4 | 177.5 | 177.4 | 177 | -0.5 | 109 | E63 | R61-E63 PolarHBondContact O-N 3.29Š| ||
| 62 | V | 53.5 | Low | 54.3 | Low | 123 Ų | 123 | 123.8 Ų | 123.8 | 75% | 0.745 | 71% | 0.707 | S | S | * | * | trans | -70 | 92.5 | 168.7 | -178.6 | 0 | 0 | 0 | 0 | 105.7 | A60 K64 | A60-V62 PolarHBondContact O-N 2.84Å; V62-K64 PolarHBondContact O-N 2.89Å | ||
| 63 | E | 55 | Low | 55.2 | Low | 136 Ų | 136 | 126.4 Ų | 126.4 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | trans | -64 | 99.1 | 170.4 | -76.9 | -176.8 | 167.1 | 0 | 0 | 108.2 | R61 D65 K79 | R61-E63 PolarHBondContact O-N 3.29Å; E63-D65 PolarHBondContact O-N 3.3Å; E63-K79 VanDerWaalsContact CB-NZ 3.35Å; E63-K79 WeakPolarHBondContact OE2-CE 3.42Å; E63-K79 IonicContact OE2-NZ 2.78Å; E63-K79 PolarHBondContact OE2-NZ 2.85Å | ||
| 64 | K | 70.8 | Confident | 56.5 | Low | 151 Ų | 151 | 128.5 Ų | 128.5 | 66% | 0.657 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 121.3 | 176.7 | -62.5 | 177.8 | -178.6 | 179.3 | 0 | 108.7 | V62 Y66 | V62-K64 PolarHBondContact O-N 2.89Å; K64-Y66 HydrophobicContact CB-CE2 4.43Å; K64-Y66 WeakPolarHBondContact O-CD2 3.27Å; K64-Y66 WeakPolarHBondContact O-CE2 3.37Å |
| 65 | D | 68.7 | Low | 58 | Low | 71 Ų | 71 | 126.5 Ų | 126.5 | 38% | 0.38 | 69% | 0.69 | S | S | . | * | P | Polyproline II helix | trans | -81.4 | 129.2 | 175 | -161.1 | -0.4 | 0 | 0 | 0 | 109.6 | E63 S77 S78 K79 | E63-D65 PolarHBondContact O-N 3.3Å; D65-S77 WeakPolarHBondContact OD2-CB 3.37Å; D65-S77 PolarHBondContact OD2-OG 3.23Å; D65-S78 WeakPolarHBondContact OD1-CA 3.46Å; D65-S78 PolarHBondContact OD1-N 3.24Å; D65-S78 PolarHBondContact OD1-OG 3.32Å; D65-K79 PolarHBondContact OD1-N 2.71Å |
| 66 | Y | 76.1 | Confident | 59.1 | Low | 165 Ų | 165 | 128 Ų | 128 | 65% | 0.647 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 136.1 | -179.1 | -63.6 | -83.7 | 0 | 0 | 0 | 110.2 | K64 S77 S78 | K64-Y66 HydrophobicContact CB-CE2 4.43Å; K64-Y66 WeakPolarHBondContact O-CD2 3.27Å; K64-Y66 WeakPolarHBondContact O-CE2 3.37Å; Y66-S77 CarbonylContact O-C 3.56Å; Y66-S77 WeakPolarHBondContact O-CA 3.34Å; Y66-S78 PolarHBondContact N-OG 3.31Å; Y66-S78 PolarHBondContact O-N 3.18Å |
| 67 | L | 71.6 | Confident | 60.9 | Low | 115 Ų | 115 | 126.2 Ų | 126.2 | 60% | 0.602 | 65% | 0.652 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.8 | 120 | 176.3 | -65 | 168.9 | 0 | 0 | 0 | 110.1 | L75 Q76 | L67-L75 HydrophobicContact CD1-CD2 4.19Å; L67-L75 HydrophobicContact CD2-CB 4.01Å; L67-L75 HydrophobicContact CD2-CD2 4.49Å; L67-Q76 CarbonylContact C-O 3.57Å; L67-Q76 WeakPolarHBondContact CA-O 3.34Å |
| 68 | T | 70.8 | Confident | 62 | Low | 111 Ų | 111 | 124 Ų | 124 | 68% | 0.681 | 64% | 0.64 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93 | -20.3 | -175.2 | 7.3 | 0 | 0 | 0 | 0 | 113.5 | Q76 | T68-Q76 PolarHBondContact N-O 3.21Å; T68-Q76 PolarHBondContact OG1-O 3.14Å |
| 69 | G | 75.9 | Confident | 63 | Low | 28 Ų | 28 | 122.2 Ų | 122.2 | 29% | 0.289 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -177.9 | 166.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q76 | G69-Q76 PolarHBondContact O-N 2.84Å |
| 70 | I | 74.1 | Confident | 64 | Low | 141 Ų | 141 | 121.4 Ų | 121.4 | 72% | 0.723 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120.8 | 117.9 | 173.1 | -62.1 | 164.4 | 0 | 0 | 0 | 107.1 | L75 | I70-L75 HydrophobicContact CD1-CD2 4.18Å; I70-L75 HydrophobicContact CG1-CD2 3.53Å |
| 71 | D | 65.7 | Low | 64.6 | Low | 100 Ų | 100 | 123.2 Ų | 123.2 | 54% | 0.535 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.2 | 111.3 | 174.2 | -154.7 | 0.6 | 0 | 0 | 0 | 110.4 | N73 E74 | D71-N73 PolarHBondContact O-N 3.18Å; D71-E74 PolarHBondContact N-O 3.4Å; D71-E74 PolarHBondContact O-N 3.02Å |
| 72 | R | 51.8 | Low | 65.5 | Low | 242 Ų | 242 | 119.1 Ų | 119.1 | 91% | 0.913 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 47.1 | -13.2 | 173.5 | -66.2 | -178.6 | -178.5 | -173.2 | 0.5 | 120.6 | ||
| 73 | N | 62.9 | Low | 65.9 | Low | 163 Ų | 163 | 122.1 Ų | 122.1 | 87% | 0.872 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.6 | 3.8 | 157.1 | -121.6 | 16.5 | 0 | 0 | 0 | 112.9 | D71 | D71-N73 PolarHBondContact O-N 3.18Š|
| 74 | E | 61.9 | Low | 66.4 | Low | 151 Ų | 151 | 121.6 Ų | 121.6 | 71% | 0.706 | 62% | 0.62 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.6 | 134.9 | -175.4 | -68.4 | -178.5 | 178 | 0 | 0 | 111.8 | D71 | D71-E74 PolarHBondContact N-O 3.4Å; D71-E74 PolarHBondContact O-N 3.02Å |
| 75 | L | 68.7 | Low | 66.3 | Low | 109 Ų | 109 | 122.4 Ų | 122.4 | 57% | 0.571 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.8 | 115.8 | 177 | -76.9 | 164.1 | 0 | 0 | 0 | 109.1 | L67 I70 | L67-L75 HydrophobicContact CD1-CD2 4.19Å; L67-L75 HydrophobicContact CD2-CB 4.01Å; L67-L75 HydrophobicContact CD2-CD2 4.49Å; I70-L75 HydrophobicContact CD1-CD2 4.18Å; I70-L75 HydrophobicContact CG1-CD2 3.53Å |
| 76 | Q | 63 | Low | 66.4 | Low | 111 Ų | 111 | 124.8 Ų | 124.8 | 52% | 0.519 | 64% | 0.637 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.6 | 122.1 | 177.4 | -64.2 | -174.1 | -19.9 | 0 | 0 | 109.5 | L67 T68 G69 | L67-Q76 CarbonylContact C-O 3.57Å; L67-Q76 WeakPolarHBondContact CA-O 3.34Å; T68-Q76 PolarHBondContact N-O 3.21Å; T68-Q76 PolarHBondContact OG1-O 3.14Å; G69-Q76 PolarHBondContact O-N 2.84Å |
| 77 | S | 73.3 | Confident | 66.7 | Low | 30 Ų | 30 | 120.8 Ų | 120.8 | 21% | 0.21 | 63% | 0.626 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.4 | 157.7 | 176.9 | 54.7 | 0 | 0 | 0 | 0 | 112.3 | D65 Y66 K79 | D65-S77 WeakPolarHBondContact OD2-CB 3.37Å; D65-S77 PolarHBondContact OD2-OG 3.23Å; Y66-S77 CarbonylContact O-C 3.56Å; Y66-S77 WeakPolarHBondContact O-CA 3.34Å; S77-K79 VanDerWaalsContact C-N 3.26Å; S77-K79 PolarHBondContact O-N 3.42Å; S77-K79 PolarHBondContact OG-O 2.87Å |
| 78 | S | 67.1 | Low | 67.3 | Low | 69 Ų | 69 | 120.5 Ų | 120.5 | 48% | 0.483 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -67.1 | -23.3 | -179.4 | 63.6 | 0 | 0 | 0 | 0 | 113.8 | D65 Y66 | D65-S78 WeakPolarHBondContact OD1-CA 3.46Å; D65-S78 PolarHBondContact OD1-N 3.24Å; D65-S78 PolarHBondContact OD1-OG 3.32Å; Y66-S78 PolarHBondContact N-OG 3.31Å; Y66-S78 PolarHBondContact O-N 3.18Å |
| 79 | K | 63.5 | Low | 68.1 | Low | 94 Ų | 94 | 118.2 Ų | 118.2 | 41% | 0.409 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -97.5 | 115.3 | 163.3 | -63.2 | 179.1 | 176.7 | -176.9 | 0 | 108.4 | E63 D65 S77 T81 | E63-K79 VanDerWaalsContact CB-NZ 3.35Å; E63-K79 WeakPolarHBondContact OE2-CE 3.42Å; E63-K79 IonicContact OE2-NZ 2.78Å; E63-K79 PolarHBondContact OE2-NZ 2.85Å; D65-K79 PolarHBondContact OD1-N 2.71Å; S77-K79 VanDerWaalsContact C-N 3.26Å; S77-K79 PolarHBondContact O-N 3.42Å; S77-K79 PolarHBondContact OG-O 2.87Å; K79-T81 PolarHBondContact O-N 2.87Å |
| 80 | P | 62.2 | Low | 68.3 | Low | 115 Ų | 115 | 121.5 Ų | 121.5 | 75% | 0.747 | 62% | 0.623 | S | S | * | * | trans | -61.6 | 126.1 | 175.8 | 25.5 | -31.7 | 0 | 0 | 0 | 108.5 | E82 | P80-E82 PolarHBondContact O-N 2.87Š| ||
| 81 | T | 55.8 | Low | 68.5 | Low | 122 Ų | 122 | 119.3 Ų | 119.3 | 75% | 0.748 | 61% | 0.613 | S | S | * | * | trans | -51.1 | 112 | 173.9 | -47.6 | 0 | 0 | 0 | 0 | 108.7 | K79 K83 | K79-T81 PolarHBondContact O-N 2.87Å; T81-K83 PolarHBondContact O-N 2.76Å | ||
| 82 | E | 62.8 | Low | 68.9 | Low | 155 Ų | 155 | 119.1 Ų | 119.1 | 72% | 0.724 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 117.9 | 177.1 | -68.7 | -170 | -176.6 | 0 | 0 | 107.7 | P80 | P80-E82 PolarHBondContact O-N 2.87Š|
| 83 | K | 61.4 | Low | 69.7 | Low | 186 Ų | 186 | 114.9 Ų | 114.9 | 81% | 0.809 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 132.7 | 172.9 | -67.7 | 179.8 | -179.6 | 178.1 | 0 | 107.1 | T81 K85 | T81-K83 PolarHBondContact O-N 2.76Å; K83-K85 PolarHBondContact O-N 3.18Å |
| 84 | P | 66.6 | Low | 70 | Confident | 124 Ų | 124 | 116 Ų | 116 | 81% | 0.805 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 121.4 | -179.6 | 21.8 | -31.9 | 0 | 0 | 0 | 108.3 | D86 | P84-D86 PolarHBondContact O-N 3.21Š|
| 85 | K | 68.3 | Low | 70.3 | Confident | 169 Ų | 169 | 111.4 Ų | 111.4 | 74% | 0.735 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 135.7 | 179.5 | -67.1 | 174.5 | -175.1 | 167.9 | 0 | 107.8 | K83 L87 | K83-K85 PolarHBondContact O-N 3.18Å; K85-L87 PolarHBondContact O-N 2.84Å |
| 86 | D | 70.3 | Confident | 70.2 | Confident | 121 Ų | 121 | 117.1 Ų | 117.1 | 65% | 0.647 | 59% | 0.592 | S | S | * | * | trans | -61.5 | 110.3 | 175.5 | -81 | -46.9 | 0 | 0 | 0 | 109.3 | P84 I88 K199 | P84-D86 PolarHBondContact O-N 3.21Å; D86-I88 PolarHBondContact O-N 3.17Å; D86-K199 IonicContact OD1-NZ 2.82Å; D86-K199 PolarHBondContact OD1-NZ 3.31Å | ||
| 87 | L | 83.6 | Confident | 70.4 | Confident | 81 Ų | 81 | 116.3 Ų | 116.3 | 42% | 0.424 | 58% | 0.584 | S | S | . | * | trans | -65.9 | 127.2 | 171.7 | -63.4 | 170.7 | 0 | 0 | 0 | 108.1 | K85 V188 A192 A196 | K85-L87 PolarHBondContact O-N 2.84Å; L87-V188 HydrophobicContact CD1-CG1 3.9Å; L87-V188 HydrophobicContact CD1-CG2 4.22Å; L87-A192 HydrophobicContact CD1-CB 4.34Å; L87-A196 HydrophobicContact CB-CB 3.57Å; L87-A196 VanDerWaalsContact O-CA 3.22Å; L87-A196 WeakPolarHBondContact O-CA 3.48Å; L87-A196 WeakPolarHBondContact O-CB 3.35Å | ||
| 88 | I | 84.4 | Confident | 69.8 | Low | 108 Ų | 108 | 119.3 Ų | 119.3 | 55% | 0.554 | 61% | 0.606 | S | S | * | * | trans | -134.3 | 119.6 | 177.4 | -57.7 | 172.9 | 0 | 0 | 0 | 107.2 | D86 P90 K199 | D86-I88 PolarHBondContact O-N 3.17Å; I88-P90 WeakPolarHBondContact O-CD 3.23Å; I88-K199 HydrophobicContact CG1-CB 4.27Å; I88-K199 HydrophobicContact CG1-CD 4.36Å; I88-K199 HydrophobicContact CG2-CB 4.46Å | ||
| 89 | I | 86.5 | Confident | 69.1 | Low | 64 Ų | 64 | 127.4 Ų | 127.4 | 33% | 0.328 | 63% | 0.626 | S | S | . | * | trans | -102.6 | 99.6 | 177.6 | -60.9 | 169.5 | 0 | 0 | 0 | 108 | Y193 A196 G200 | I89-Y193 HydrophobicContact CD1-CD2 3.64Å; I89-Y193 HydrophobicContact CD1-CE2 3.4Å; I89-Y193 VanDerWaalsContact CD1-CE2 3.4Å; I89-A196 HydrophobicContact CD1-CB 3.99Å; I89-A196 HydrophobicContact CG1-CB 3.95Å; I89-A196 PolarHBondContact N-O 3.2Å; I89-G200 VanDerWaalsContact O-CA 3.27Å; I89-G200 WeakPolarHBondContact O-CA 3.24Å | ||
| 90 | P | 80.4 | Confident | 68.3 | Low | 96 Ų | 96 | 127.5 Ų | 127.5 | 62% | 0.623 | 64% | 0.644 | S | S | * | * | trans | -61.7 | 142.2 | -172.9 | 26 | -34.6 | 0 | 0 | 0 | 112.2 | I88 I92 | I88-P90 WeakPolarHBondContact O-CD 3.23Å; P90-I92 PolarHBondContact O-N 3.3Å | ||
| 91 | L | 78.8 | Confident | 67.6 | Low | 96 Ų | 96 | 125.3 Ų | 125.3 | 50% | 0.503 | 64% | 0.642 | S | S | . | * | trans | -71.8 | 114.1 | 175 | -175.5 | 66.3 | 0 | 0 | 0 | 110.5 | Q93 | L91-Q93 PolarHBondContact O-N 2.75Š| ||
| 92 | I | 74.5 | Confident | 67 | Low | 95 Ų | 95 | 128.4 Ų | 128.4 | 49% | 0.487 | 65% | 0.648 | S | S | . | * | trans | -76.1 | 105.1 | 177.1 | -56.2 | 169.8 | 0 | 0 | 0 | 108.6 | P90 N95 | P90-I92 PolarHBondContact O-N 3.3Å; I92-N95 HydrophobicContact CG2-CB 4.31Å | ||
| 93 | Q | 68.2 | Low | 65.9 | Low | 153 Ų | 153 | 133.2 Ų | 133.2 | 72% | 0.715 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -81.1 | -31.4 | 177.4 | -66.4 | -176.5 | -9.8 | 0 | 0 | 113.2 | L91 | L91-Q93 PolarHBondContact O-N 2.75Š|
| 94 | K | 68.9 | Low | 64.6 | Low | 188 Ų | 188 | 127.6 Ų | 127.6 | 82% | 0.817 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -142.7 | 121.8 | 173.4 | -65.5 | -178.8 | -178.1 | 175.9 | 0 | 107.6 | ||
| 95 | N | 67.3 | Low | 63.3 | Low | 53 Ų | 53 | 131.8 Ų | 131.8 | 28% | 0.283 | 66% | 0.663 | S | S | . | * | trans | -69.9 | 139 | 177.9 | -168.2 | -0.9 | 0 | 0 | 0 | 109.9 | I92 W97 | I92-N95 HydrophobicContact CG2-CB 4.31Å; N95-W97 HydrophobicContact CB-CD2 4.21Å; N95-W97 HydrophobicContact CB-CE3 4.25Å; N95-W97 HydrophobicContact CB-CH2 3.58Å; N95-W97 HydrophobicContact CB-CZ2 3.49Å; N95-W97 VanDerWaalsContact CB-CZ2 3.49Å; N95-W97 HydrophobicContact CB-CZ3 3.95Å; N95-W97 PolarHBondContact ND2-NE1 2.87Å; N95-W97 WeakPolarHBondContact O-CZ3 3.31Å | ||
| 96 | R | 67.9 | Low | 61.4 | Low | 229 Ų | 229 | 127 Ų | 127 | 86% | 0.864 | 66% | 0.662 | S | S | * | * | trans | -113.3 | 85.7 | 173.3 | -94 | -174.5 | 173.7 | 175.2 | -0.6 | 107.2 | S98 | R96-S98 PolarHBondContact O-N 2.99Å; R96-S98 PolarHBondContact O-OG 3.36Å | ||
| 97 | W | 67.7 | Low | 59.9 | Low | 94 Ų | 94 | 129.7 Ų | 129.7 | 36% | 0.356 | 68% | 0.676 | S | S | . | * | trans | -57.5 | 107.9 | 174.9 | -59.9 | -94.6 | 0 | 0 | 0 | 109.3 | N95 K160 P162 L175 | N95-W97 HydrophobicContact CB-CD2 4.21Å; N95-W97 HydrophobicContact CB-CE3 4.25Å; N95-W97 HydrophobicContact CB-CH2 3.58Å; N95-W97 HydrophobicContact CB-CZ2 3.49Å; N95-W97 VanDerWaalsContact CB-CZ2 3.49Å; N95-W97 HydrophobicContact CB-CZ3 3.95Å; N95-W97 PolarHBondContact ND2-NE1 2.87Å; N95-W97 WeakPolarHBondContact O-CZ3 3.31Å; W97-K160 WeakPolarHBondContact CZ2-O 3.45Å; W97-P162 HydrophobicContact CD2-CG 4.11Å; W97-P162 HydrophobicContact CG-CG 4.24Å; W97-L175 HydrophobicContact CB-CD2 4Å | ||
| 98 | S | 60.2 | Low | 57.3 | Low | 94 Ų | 94 | 128.9 Ų | 128.9 | 66% | 0.657 | 69% | 0.687 | S | S | * | * | trans | -86.1 | 124 | 176.1 | -63 | 0 | 0 | 0 | 0 | 107.9 | R96 A100 | R96-S98 PolarHBondContact O-N 2.99Å; R96-S98 PolarHBondContact O-OG 3.36Å; S98-A100 PolarHBondContact O-N 3.33Å; S98-A100 VanDerWaalsContact O-N 3.07Å | ||
| 99 | R | 51.2 | Low | 54.7 | Low | 239 Ų | 239 | 133 Ų | 133 | 90% | 0.902 | 70% | 0.701 | S | S | * | * | trans | -66 | 108.6 | 166.6 | -97.6 | -178.8 | -178.8 | 169.4 | 1.4 | 107.6 | G101 | R99-G101 PolarHBondContact O-N 3.11Š| ||
| 100 | A | 47.4 | Very low | 52 | Low | 96 Ų | 96 | 136.2 Ų | 136.2 | 79% | 0.793 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 79.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | S98 | S98-A100 PolarHBondContact O-N 3.33Å; S98-A100 VanDerWaalsContact O-N 3.07Å |
| 101 | G | 47 | Very low | 49.6 | Very low | 68 Ų | 68 | 140.5 Ų | 140.5 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.2 | 1.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R99 | R99-G101 PolarHBondContact O-N 3.11Š|
| 102 | Q | 43.9 | Very low | 47.4 | Very low | 188 Ų | 188 | 140.4 Ų | 140.4 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | trans | -130.5 | 58.5 | 175.8 | -76.6 | -176.4 | -19.5 | 0 | 0 | 110.6 | ||||
| 103 | R | 40.3 | Very low | 45.3 | Very low | 256 Ų | 256 | 140.6 Ų | 140.6 | 97% | 0.966 | 77% | 0.766 | S | S | * | * | trans | -127.4 | 76.8 | 151 | -81.9 | -172.6 | -175.7 | 175 | 2.5 | 107.2 | ||||
| 104 | G | 33.1 | Very low | 43.7 | Very low | 67 Ų | 67 | 142 Ų | 142 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | -136.2 | 123.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 105 | E | 39.1 | Very low | 42.2 | Very low | 212 Ų | 212 | 144.7 Ų | 144.7 | 99% | 0.991 | 78% | 0.778 | S | S | * | * | trans | -54.3 | 134.1 | 168 | -68.4 | 171.9 | 116.7 | 0 | 0 | 109.7 | ||||
| 106 | G | 28.9 | Very low | 41 | Very low | 69 Ų | 69 | 150.2 Ų | 150.2 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | 179.9 | 86.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112 | G108 | G106-G108 PolarHBondContact O-N 2.59Š| ||
| 107 | N | 38.9 | Very low | 39.8 | Very low | 178 Ų | 178 | 141.7 Ų | 141.7 | 95% | 0.952 | 79% | 0.791 | S | S | * | * | trans | -46.6 | 116.4 | 161.9 | -176.2 | 23.1 | 0 | 0 | 0 | 110.2 | ||||
| 108 | G | 27.8 | Very low | 39.3 | Very low | 64 Ų | 64 | 145.6 Ų | 145.6 | 66% | 0.66 | 82% | 0.819 | S | S | * | * | trans | -174.2 | 100.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G106 | G106-G108 PolarHBondContact O-N 2.59Š| ||
| 109 | K | 31.1 | Very low | 39.4 | Very low | 195 Ų | 195 | 143.7 Ų | 143.7 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | -47.2 | 137.5 | 165.9 | -74.6 | 170.5 | 170.8 | 177.4 | 0 | 109.9 | E111 | K109-E111 PolarHBondContact O-N 3.26Š| ||
| 110 | P | 30.2 | Very low | 40.4 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | trans | -73.6 | 108.5 | 159.6 | 28.4 | -24.4 | 0 | 0 | 0 | 107.3 | A112 | P110-A112 PolarHBondContact O-N 2.86Š| ||
| 111 | E | 28.7 | Very low | 41.3 | Very low | 186 Ų | 186 | 139.7 Ų | 139.7 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -55.5 | 124.5 | 162.5 | -81.9 | -178.1 | 145.6 | 0 | 0 | 108.6 | K109 A113 | K109-E111 PolarHBondContact O-N 3.26Å; E111-A113 PolarHBondContact O-N 3.17Å; E111-A113 VanDerWaalsContact O-N 3.13Å | ||
| 112 | A | 32.4 | Very low | 42.8 | Very low | 94 Ų | 94 | 140.4 Ų | 140.4 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | trans | -62.9 | 107.9 | 164 | 0 | 0 | 0 | 0 | 0 | 108 | P110 E114 | P110-A112 PolarHBondContact O-N 2.86Å; A112-E114 PolarHBondContact O-N 2.92Å | ||
| 113 | A | 30.4 | Very low | 44.5 | Very low | 99 Ų | 99 | 138.1 Ų | 138.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -86.6 | 89.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | E111 R115 | E111-A113 PolarHBondContact O-N 3.17Å; E111-A113 VanDerWaalsContact O-N 3.13Å; A113-R115 PolarHBondContact O-N 3.48Å | ||
| 114 | E | 35.5 | Very low | 46.2 | Very low | 182 Ų | 182 | 128 Ų | 128 | 85% | 0.85 | 74% | 0.743 | S | S | * | * | trans | -58.8 | 124.3 | 155.4 | -73.4 | -179.2 | 158.8 | 0 | 0 | 108.3 | A112 | A112-E114 PolarHBondContact O-N 2.92Š| ||
| 115 | R | 36.8 | Very low | 48.5 | Very low | 245 Ų | 245 | 128.8 Ų | 128.8 | 93% | 0.925 | 73% | 0.734 | S | S | * | * | trans | -129 | 100 | 146.2 | -77.4 | -167.5 | -179.1 | 163.8 | 2.1 | 108.4 | A113 | A113-R115 PolarHBondContact O-N 3.48Š| ||
| 116 | D | 42.6 | Very low | 50.6 | Low | 169 Ų | 169 | 125.8 Ų | 125.8 | 90% | 0.904 | 72% | 0.718 | S | S | * | * | trans | -30.3 | 135.6 | 159.3 | -136.1 | -7.2 | 0 | 0 | 0 | 113.4 | ||||
| 117 | G | 42.5 | Very low | 53.2 | Low | 50 Ų | 50 | 129.2 Ų | 129.2 | 52% | 0.515 | 72% | 0.715 | S | S | . | * | trans | 164.6 | 78.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S119 | G117-S119 PolarHBondContact O-N 3.5Š| ||
| 118 | D | 56.6 | Low | 55.2 | Low | 176 Ų | 176 | 126.7 Ų | 126.7 | 94% | 0.941 | 70% | 0.701 | S | S | * | * | trans | -53.2 | 103.2 | 161.8 | -90.7 | -24 | 0 | 0 | 0 | 108.9 | ||||
| 119 | S | 62.4 | Low | 57.8 | Low | 54 Ų | 54 | 129 Ų | 129 | 38% | 0.378 | 70% | 0.697 | S | S | . | * | trans | -153.8 | 137.4 | 171.3 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | G117 E121 S122 | G117-S119 PolarHBondContact O-N 3.5Å; S119-E121 VanDerWaalsContact CB-OE2 3.26Å; S119-E121 WeakPolarHBondContact CB-OE2 3.47Å; S119-E121 PolarHBondContact O-N 2.8Å; S119-E121 PolarHBondContact OG-OE2 3.41Å; S119-S122 PolarHBondContact O-N 3.33Å | ||
| 120 | V | 72.6 | Confident | 60.3 | Low | 114 Ų | 114 | 124.1 Ų | 124.1 | 69% | 0.691 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -38 | -26.7 | 177.2 | 177.3 | 0 | 0 | 0 | 0 | 113.5 | Q123 A124 | V120-Q123 PolarHBondContact O-N 3.05Å; V120-A124 WeakPolarHBondContact O-CB 3.43Å; V120-A124 PolarHBondContact O-N 3.43Å |
| 121 | E | 66.8 | Low | 62.4 | Low | 137 Ų | 137 | 122.4 Ų | 122.4 | 64% | 0.64 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -60.1 | -40.1 | 175 | -65.3 | 146.5 | 161.4 | 0 | 0 | 114 | S119 A124 V125 | S119-E121 VanDerWaalsContact CB-OE2 3.26Å; S119-E121 WeakPolarHBondContact CB-OE2 3.47Å; S119-E121 PolarHBondContact O-N 2.8Å; S119-E121 PolarHBondContact OG-OE2 3.41Å; E121-A124 PolarHBondContact O-N 2.8Å; E121-V125 VanDerWaalsContact O-CG2 3.28Å; E121-V125 WeakPolarHBondContact O-CG2 3.42Å; E121-V125 PolarHBondContact O-N 3.48Å |
| 122 | S | 78 | Confident | 64.6 | Low | 83 Ų | 83 | 116.4 Ų | 116.4 | 58% | 0.58 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70 | -33.5 | 178.1 | -68.6 | 0 | 0 | 0 | 0 | 112.2 | S119 K126 | S119-S122 PolarHBondContact O-N 3.33Å; S122-K126 WeakPolarHBondContact O-CB 3.31Å; S122-K126 PolarHBondContact O-N 3.44Å; S122-K126 VanDerWaalsContact O-N 3.16Å |
| 123 | Q | 79.2 | Confident | 66.9 | Low | 141 Ų | 141 | 120 Ų | 120 | 66% | 0.659 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.3 | -42.2 | 170.6 | -86.1 | 175.8 | -22.6 | 0 | 0 | 111.3 | V120 V125 K126 E127 | V120-Q123 PolarHBondContact O-N 3.05Å; Q123-V125 PolarHBondContact O-N 3.22Å; Q123-K126 PolarHBondContact O-N 2.99Å; Q123-E127 PolarHBondContact O-N 3.35Å |
| 124 | A | 76.8 | Confident | 69.1 | Low | 43 Ų | 43 | 121.6 Ų | 121.6 | 36% | 0.355 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -62.2 | -40.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V120 E121 K126 E127 L128 | V120-A124 WeakPolarHBondContact O-CB 3.43Å; V120-A124 PolarHBondContact O-N 3.43Å; E121-A124 PolarHBondContact O-N 2.8Å; A124-K126 VanDerWaalsContact C-N 3.34Å; A124-E127 PolarHBondContact O-N 3.22Å; A124-L128 WeakPolarHBondContact O-CB 3.35Å; A124-L128 WeakPolarHBondContact O-CD1 3.32Å; A124-L128 VanDerWaalsContact O-CG 3.3Å; A124-L128 WeakPolarHBondContact O-CG 3.4Å; A124-L128 PolarHBondContact O-N 2.79Å |
| 125 | V | 80.9 | Confident | 70.5 | Confident | 84 Ų | 84 | 118.4 Ų | 118.4 | 51% | 0.509 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.8 | -40.6 | 175.1 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | E121 Q123 L128 I129 | E121-V125 VanDerWaalsContact O-CG2 3.28Å; E121-V125 WeakPolarHBondContact O-CG2 3.42Å; E121-V125 PolarHBondContact O-N 3.48Å; Q123-V125 PolarHBondContact O-N 3.22Å; V125-L128 PolarHBondContact O-N 2.92Å; V125-I129 HydrophobicContact CG1-CD1 3.87Å; V125-I129 WeakPolarHBondContact O-CD1 2.89Å; V125-I129 VanDerWaalsContact O-CG1 3.24Å; V125-I129 WeakPolarHBondContact O-CG1 3.21Å; V125-I129 PolarHBondContact O-N 3.24Å |
| 126 | K | 83.6 | Confident | 71.8 | Confident | 149 Ų | 149 | 112 Ų | 112 | 65% | 0.648 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.4 | -41.7 | 177.6 | -165.4 | 176.4 | -178.2 | -178.8 | 0 | 111.9 | S122 Q123 A124 I129 E130 | S122-K126 WeakPolarHBondContact O-CB 3.31Å; S122-K126 PolarHBondContact O-N 3.44Å; S122-K126 VanDerWaalsContact O-N 3.16Å; Q123-K126 PolarHBondContact O-N 2.99Å; A124-K126 VanDerWaalsContact C-N 3.34Å; K126-I129 PolarHBondContact O-N 2.97Å; K126-E130 WeakPolarHBondContact O-CB 3.38Å; K126-E130 PolarHBondContact O-N 3.39Å |
| 127 | E | 83 | Confident | 73 | Confident | 141 Ų | 141 | 108 Ų | 108 | 66% | 0.659 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.5 | -39.7 | 174.8 | -74.2 | -166.2 | 172.2 | 0 | 0 | 112 | Q123 A124 I129 E130 D131 | Q123-E127 PolarHBondContact O-N 3.35Å; A124-E127 PolarHBondContact O-N 3.22Å; E127-I129 VanDerWaalsContact C-N 3.34Å; E127-I129 PolarHBondContact O-N 3.42Å; E127-E130 PolarHBondContact O-N 3.32Å; E127-D131 VanDerWaalsContact O-CB 3.25Å; E127-D131 WeakPolarHBondContact O-CB 3.11Å; E127-D131 PolarHBondContact O-N 3.31Å |
| 128 | L | 80.3 | Confident | 74 | Confident | 124 Ų | 124 | 111.6 Ų | 111.6 | 65% | 0.649 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.9 | -39.8 | 174.2 | -80.2 | 163.6 | 0 | 0 | 0 | 112.4 | A124 V125 S132 | A124-L128 WeakPolarHBondContact O-CB 3.35Å; A124-L128 WeakPolarHBondContact O-CD1 3.32Å; A124-L128 VanDerWaalsContact O-CG 3.3Å; A124-L128 WeakPolarHBondContact O-CG 3.4Å; A124-L128 PolarHBondContact O-N 2.79Å; V125-L128 PolarHBondContact O-N 2.92Å; L128-S132 WeakPolarHBondContact O-CB 3.34Å; L128-S132 PolarHBondContact O-N 2.82Å |
| 129 | I | 84.1 | Confident | 73.9 | Confident | 114 Ų | 114 | 114.1 Ų | 114.1 | 59% | 0.585 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.7 | -40.6 | 176.2 | -68.2 | 166.2 | 0 | 0 | 0 | 110.6 | V125 K126 E127 R133 | V125-I129 HydrophobicContact CG1-CD1 3.87Å; V125-I129 WeakPolarHBondContact O-CD1 2.89Å; V125-I129 VanDerWaalsContact O-CG1 3.24Å; V125-I129 WeakPolarHBondContact O-CG1 3.21Å; V125-I129 PolarHBondContact O-N 3.24Å; K126-I129 PolarHBondContact O-N 2.97Å; E127-I129 VanDerWaalsContact C-N 3.34Å; E127-I129 PolarHBondContact O-N 3.42Å; I129-R133 WeakPolarHBondContact O-CB 3.38Å; I129-R133 PolarHBondContact O-N 2.81Å |
| 130 | E | 83.5 | Confident | 73.4 | Confident | 91 Ų | 91 | 117.9 Ų | 117.9 | 43% | 0.425 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71.2 | -38.5 | 179.5 | -163.5 | 174.9 | 164.3 | 0 | 0 | 112.4 | K126 E127 R133 R134 | K126-E130 WeakPolarHBondContact O-CB 3.38Å; K126-E130 PolarHBondContact O-N 3.39Å; E127-E130 PolarHBondContact O-N 3.32Å; E130-R133 WeakPolarHBondContact O-CB 3.4Å; E130-R133 PolarHBondContact O-N 3.07Å; E130-R134 WeakPolarHBondContact O-CG 3.48Å; E130-R134 PolarHBondContact O-N 2.83Å; E130-R134 IonicContact OE1-CZ 3.58Å; E130-R134 IonicContact OE1-NE 3.75Å; E130-R134 IonicContact OE1-NH2 2.74Å; E130-R134 PolarHBondContact OE1-NH2 3.26Å |
| 131 | D | 74.4 | Confident | 72.4 | Confident | 94 Ų | 94 | 118.5 Ų | 118.5 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.2 | -37.4 | 176.3 | -154.9 | 42.5 | 0 | 0 | 0 | 111.3 | E127 R133 R134 Q135 | E127-D131 VanDerWaalsContact O-CB 3.25Å; E127-D131 WeakPolarHBondContact O-CB 3.11Å; E127-D131 PolarHBondContact O-N 3.31Å; D131-R133 VanDerWaalsContact C-N 3.32Å; D131-R133 PolarHBondContact O-N 3.17Å; D131-R134 PolarHBondContact O-N 2.91Å; D131-Q135 WeakPolarHBondContact O-CB 3.35Å; D131-Q135 WeakPolarHBondContact O-CG 3.49Å; D131-Q135 PolarHBondContact O-N 2.81Å |
| 132 | S | 74.3 | Confident | 71.5 | Confident | 61 Ų | 61 | 113.2 Ų | 113.2 | 43% | 0.427 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.7 | -39.7 | 169.6 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | L128 Q135 L136 | L128-S132 WeakPolarHBondContact O-CB 3.34Å; L128-S132 PolarHBondContact O-N 2.82Å; S132-Q135 PolarHBondContact O-N 2.81Å; S132-L136 WeakPolarHBondContact O-CB 3.26Å; S132-L136 PolarHBondContact O-N 3.33Å |
| 133 | R | 80.6 | Confident | 69.7 | Low | 168 Ų | 168 | 115.7 Ų | 115.7 | 63% | 0.634 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.6 | -41.3 | 176 | -170.3 | 178 | 178.8 | 163.1 | 4.6 | 112 | I129 E130 D131 L136 E137 | I129-R133 WeakPolarHBondContact O-CB 3.38Å; I129-R133 PolarHBondContact O-N 2.81Å; E130-R133 WeakPolarHBondContact O-CB 3.4Å; E130-R133 PolarHBondContact O-N 3.07Å; D131-R133 VanDerWaalsContact C-N 3.32Å; D131-R133 PolarHBondContact O-N 3.17Å; R133-L136 WeakPolarHBondContact O-CB 3.42Å; R133-L136 PolarHBondContact O-N 3.24Å; R133-E137 IonicContact NE-OE1 3.08Å; R133-E137 PolarHBondContact NE-OE1 3.37Å; R133-E137 WeakPolarHBondContact O-CB 3.22Å; R133-E137 WeakPolarHBondContact O-CG 3.42Å; R133-E137 PolarHBondContact O-N 3.32Å |
| 134 | R | 75.6 | Confident | 67.9 | Low | 134 Ų | 134 | 115.6 Ų | 115.6 | 51% | 0.506 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.1 | -38 | 174.5 | -72.8 | 176.9 | -171.2 | 174.9 | 5.7 | 112.2 | E130 D131 E137 L138 | E130-R134 WeakPolarHBondContact O-CG 3.48Å; E130-R134 PolarHBondContact O-N 2.83Å; E130-R134 IonicContact OE1-CZ 3.58Å; E130-R134 IonicContact OE1-NE 3.75Å; E130-R134 IonicContact OE1-NH2 2.74Å; E130-R134 PolarHBondContact OE1-NH2 3.26Å; D131-R134 PolarHBondContact O-N 2.91Å; R134-E137 PolarHBondContact O-N 3.1Å; R134-L138 VanDerWaalsContact O-CB 3.31Å; R134-L138 WeakPolarHBondContact O-CB 3.36Å; R134-L138 WeakPolarHBondContact O-CD1 3.42Å; R134-L138 VanDerWaalsContact O-CG 3.31Å; R134-L138 WeakPolarHBondContact O-CG 3.28Å; R134-L138 PolarHBondContact O-N 3.29Å |
| 135 | Q | 65.8 | Low | 66 | Low | 114 Ų | 114 | 117.9 Ų | 117.9 | 53% | 0.533 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.7 | -42.6 | 171.9 | -82.1 | -172.4 | -43.3 | 0 | 0 | 111.7 | D131 S132 L138 W139 | D131-Q135 WeakPolarHBondContact O-CB 3.35Å; D131-Q135 WeakPolarHBondContact O-CG 3.49Å; D131-Q135 PolarHBondContact O-N 2.81Å; S132-Q135 PolarHBondContact O-N 2.81Å; Q135-L138 PolarHBondContact O-N 2.96Å; Q135-W139 WeakPolarHBondContact O-CB 3.41Å; Q135-W139 PolarHBondContact O-N 3.4Å |
| 136 | L | 64.8 | Low | 64.2 | Low | 111 Ų | 111 | 121.2 Ų | 121.2 | 58% | 0.581 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.4 | -44.4 | 174 | -107.9 | 154.5 | 0 | 0 | 0 | 111.6 | S132 R133 L138 W139 E140 | S132-L136 WeakPolarHBondContact O-CB 3.26Å; S132-L136 PolarHBondContact O-N 3.33Å; R133-L136 WeakPolarHBondContact O-CB 3.42Å; R133-L136 PolarHBondContact O-N 3.24Å; L136-L138 PolarHBondContact O-N 3.46Å; L136-W139 PolarHBondContact O-N 3.41Å; L136-E140 VanDerWaalsContact O-CB 3.28Å; L136-E140 WeakPolarHBondContact O-CB 3.35Å; L136-E140 PolarHBondContact O-N 2.97Å |
| 137 | E | 66.8 | Low | 62.3 | Low | 86 Ų | 86 | 116 Ų | 116 | 40% | 0.402 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.5 | -32.3 | 176.3 | -74 | 172.5 | -169.8 | 0 | 0 | 112.3 | R133 R134 N141 | R133-E137 IonicContact NE-OE1 3.08Å; R133-E137 PolarHBondContact NE-OE1 3.37Å; R133-E137 WeakPolarHBondContact O-CB 3.22Å; R133-E137 WeakPolarHBondContact O-CG 3.42Å; R133-E137 PolarHBondContact O-N 3.32Å; R134-E137 PolarHBondContact O-N 3.1Å; E137-N141 WeakPolarHBondContact O-CA 3.3Å; E137-N141 WeakPolarHBondContact O-CB 3.29Å; E137-N141 PolarHBondContact O-N 3.32Å; E137-N141 PolarHBondContact O-ND2 3Å |
| 138 | L | 63.3 | Low | 60.3 | Low | 124 Ų | 124 | 113 Ų | 113 | 65% | 0.649 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -73.3 | -33.1 | 172.2 | -80.6 | 159.5 | 0 | 0 | 0 | 112.6 | R134 Q135 L136 G142 | R134-L138 VanDerWaalsContact O-CB 3.31Å; R134-L138 WeakPolarHBondContact O-CB 3.36Å; R134-L138 WeakPolarHBondContact O-CD1 3.42Å; R134-L138 VanDerWaalsContact O-CG 3.31Å; R134-L138 WeakPolarHBondContact O-CG 3.28Å; R134-L138 PolarHBondContact O-N 3.29Å; Q135-L138 PolarHBondContact O-N 2.96Å; L136-L138 PolarHBondContact O-N 3.46Å; L138-G142 WeakPolarHBondContact O-CA 3.32Å; L138-G142 PolarHBondContact O-N 3.42Å |
| 139 | W | 54.2 | Low | 58.9 | Low | 229 Ų | 229 | 114 Ų | 114 | 87% | 0.867 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -71.5 | -32.9 | 171.8 | -88 | 62 | 0 | 0 | 0 | 112.1 | Q135 L136 | Q135-W139 WeakPolarHBondContact O-CB 3.41Å; Q135-W139 PolarHBondContact O-N 3.4Å; L136-W139 PolarHBondContact O-N 3.41Å |
| 140 | E | 51.8 | Low | 57.1 | Low | 133 Ų | 133 | 115.6 Ų | 115.6 | 62% | 0.621 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -83.6 | -35.1 | 179.3 | -166.1 | 166.7 | -153.6 | 0 | 0 | 112.5 | L136 | L136-E140 VanDerWaalsContact O-CB 3.28Å; L136-E140 WeakPolarHBondContact O-CB 3.35Å; L136-E140 PolarHBondContact O-N 2.97Å |
| 141 | N | 51.9 | Low | 55.3 | Low | 127 Ų | 127 | 116.8 Ų | 116.8 | 68% | 0.679 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -105.1 | 0.8 | -178.2 | -59.4 | -62.2 | 0 | 0 | 0 | 115 | E137 | E137-N141 WeakPolarHBondContact O-CA 3.3Å; E137-N141 WeakPolarHBondContact O-CB 3.29Å; E137-N141 PolarHBondContact O-N 3.32Å; E137-N141 PolarHBondContact O-ND2 3Å |
| 142 | G | 48.2 | Very low | 54.2 | Low | 27 Ų | 27 | 118 Ų | 118 | 28% | 0.278 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -58.1 | 157.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L138 Q144 | L138-G142 WeakPolarHBondContact O-CA 3.32Å; L138-G142 PolarHBondContact O-N 3.42Å; G142-Q144 PolarHBondContact O-N 3.07Å |
| 143 | P | 40.8 | Very low | 53 | Low | 134 Ų | 134 | 118.9 Ų | 118.9 | 87% | 0.87 | 62% | 0.618 | S | S | * | * | trans | -53.4 | 107.6 | -174 | 22.9 | -31.9 | 0 | 0 | 0 | 108.2 | S145 | P143-S145 PolarHBondContact O-N 3.47Š| ||
| 144 | Q | 40.4 | Very low | 51.9 | Low | 140 Ų | 140 | 114.5 Ų | 114.5 | 65% | 0.654 | 61% | 0.611 | S | S | * | * | trans | -58.4 | 108.5 | -174.3 | -72.1 | -164 | -40.9 | 0 | 0 | 106.8 | G142 E146 | G142-Q144 PolarHBondContact O-N 3.07Å; Q144-E146 HydrophobicContact CB-CG 4.19Å; Q144-E146 PolarHBondContact O-N 2.96Å | ||
| 145 | S | 36.8 | Very low | 51.1 | Low | 90 Ų | 90 | 114.2 Ų | 114.2 | 63% | 0.629 | 62% | 0.619 | S | S | * | * | trans | -69.5 | 82.1 | 155.3 | 48.6 | 0 | 0 | 0 | 0 | 106 | P143 G147 S148 | P143-S145 PolarHBondContact O-N 3.47Å; S145-G147 PolarHBondContact O-N 2.89Å; S145-S148 PolarHBondContact O-N 3.23Å | ||
| 146 | E | 43.9 | Very low | 50.8 | Low | 155 Ų | 155 | 116.2 Ų | 116.2 | 72% | 0.724 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | 40.7 | 152.2 | -77.2 | -79 | 176.3 | 0 | 0 | 110.3 | Q144 | Q144-E146 HydrophobicContact CB-CG 4.19Å; Q144-E146 PolarHBondContact O-N 2.96Å |
| 147 | G | 44.2 | Very low | 50.6 | Low | 40 Ų | 40 | 117.1 Ų | 117.1 | 41% | 0.412 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -149.5 | 5.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S145 L149 | S145-G147 PolarHBondContact O-N 2.89Å; G147-L149 PolarHBondContact O-N 2.94Å |
| 148 | S | 41.3 | Very low | 50.4 | Low | 76 Ų | 76 | 117 Ų | 117 | 53% | 0.531 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.7 | 14.1 | 167.2 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | S145 N150 | S145-S148 PolarHBondContact O-N 3.23Å; S148-N150 VanDerWaalsContact C-N 3.27Å |
| 149 | L | 50.5 | Low | 50.4 | Low | 147 Ų | 147 | 113.7 Ų | 113.7 | 77% | 0.77 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -3.6 | 165.7 | -65.8 | 173.8 | 0 | 0 | 0 | 112.9 | G147 | G147-L149 PolarHBondContact O-N 2.94Š|
| 150 | N | 46.2 | Very low | 51.1 | Low | 146 Ų | 146 | 108.8 Ų | 108.8 | 78% | 0.781 | 60% | 0.603 | S | S | * | * | trans | -120.1 | 17.6 | -178.7 | -62.3 | -47.5 | 0 | 0 | 0 | 114.1 | S148 S152 | S148-N150 VanDerWaalsContact C-N 3.27Å; N150-S152 PolarHBondContact O-N 3.5Å | ||
| 151 | L | 46.3 | Very low | 52 | Low | 116 Ų | 116 | 104.3 Ų | 104.3 | 61% | 0.607 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -81.7 | 113.2 | 156.1 | -85 | 140.7 | 0 | 0 | 0 | 105.7 | I153 | L151-I153 HydrophobicContact CB-CD1 4.19Å; L151-I153 HydrophobicContact CB-CG1 4.16Å; L151-I153 PolarHBondContact O-N 3.07Å |
| 152 | S | 49.7 | Very low | 53 | Low | 121 Ų | 121 | 101.2 Ų | 101.2 | 85% | 0.846 | 57% | 0.571 | S | S | * | * | trans | -65.1 | 53.4 | 174.2 | 61.5 | 0 | 0 | 0 | 0 | 111.4 | N150 P154 | N150-S152 PolarHBondContact O-N 3.5Å; S152-P154 VanDerWaalsContact O-CD 3.31Å; S152-P154 WeakPolarHBondContact O-CD 3.41Å | ||
| 153 | I | 49.3 | Very low | 53.8 | Low | 79 Ų | 79 | 105.8 Ų | 105.8 | 41% | 0.405 | 59% | 0.589 | S | S | . | * | trans | -75.8 | 115.3 | 167.1 | -62.1 | 168.9 | 0 | 0 | 0 | 103.8 | L151 L155 M157 Q158 | L151-I153 HydrophobicContact CB-CD1 4.19Å; L151-I153 HydrophobicContact CB-CG1 4.16Å; L151-I153 PolarHBondContact O-N 3.07Å; I153-L155 PolarHBondContact O-N 3.09Å; I153-M157 HydrophobicContact CG2-CB 3.59Å; I153-Q158 HydrophobicContact CB-CG 4.26Å; I153-Q158 HydrophobicContact CG2-CG 3.75Å | ||
| 154 | P | 58.4 | Low | 54.9 | Low | 76 Ų | 76 | 101.1 Ų | 101.1 | 49% | 0.494 | 57% | 0.565 | S | S | . | * | trans | -49.6 | 135.9 | 175.9 | -25 | 33.7 | 0 | 0 | 0 | 109.4 | S152 L156 M157 | S152-P154 VanDerWaalsContact O-CD 3.31Å; S152-P154 WeakPolarHBondContact O-CD 3.41Å; P154-L156 PolarHBondContact O-N 3.41Å; P154-M157 HydrophobicContact CB-CG 4.46Å; P154-M157 HydrophobicContact CG-CG 4.49Å; P154-M157 HydrophobicContact CG-SD 4.14Å; P154-M157 WeakPolarHBondContact O-CB 3.3Å; P154-M157 PolarHBondContact O-N 3.47Å | ||
| 155 | L | 58.8 | Low | 55.9 | Low | 127 Ų | 127 | 96.6 Ų | 96.6 | 67% | 0.665 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -48.6 | -31.8 | 179.4 | -80.9 | 160.5 | 0 | 0 | 0 | 112.6 | I153 M157 Q158 | I153-L155 PolarHBondContact O-N 3.09Å; L155-M157 VanDerWaalsContact C-N 3.28Å; L155-M157 PolarHBondContact O-N 3.45Å; L155-Q158 PolarHBondContact O-N 3.18Å |
| 156 | L | 58.8 | Low | 57.1 | Low | 156 Ų | 156 | 96.3 Ų | 96.3 | 82% | 0.817 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.1 | -31.6 | 174.2 | -94.4 | 82.3 | 0 | 0 | 0 | 114.1 | P154 | P154-L156 PolarHBondContact O-N 3.41Å |
| 157 | M | 60.5 | Low | 57.9 | Low | 130 Ų | 130 | 93.2 Ų | 93.2 | 64% | 0.64 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -83.9 | -23.3 | -178.9 | -67.6 | -175.5 | 71.6 | 0 | 0 | 112.9 | I153 P154 L155 N159 | I153-M157 HydrophobicContact CG2-CB 3.59Å; P154-M157 HydrophobicContact CB-CG 4.46Å; P154-M157 HydrophobicContact CG-CG 4.49Å; P154-M157 HydrophobicContact CG-SD 4.14Å; P154-M157 WeakPolarHBondContact O-CB 3.3Å; P154-M157 PolarHBondContact O-N 3.47Å; L155-M157 VanDerWaalsContact C-N 3.28Å; L155-M157 PolarHBondContact O-N 3.45Å; M157-N159 VanDerWaalsContact C-N 3.35Å |
| 158 | Q | 62.5 | Low | 58.7 | Low | 83 Ų | 83 | 95.7 Ų | 95.7 | 39% | 0.388 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -71.9 | -28.4 | -178.9 | -67.2 | -177.3 | -8.5 | 0 | 0 | 113 | I153 L155 | I153-Q158 HydrophobicContact CB-CG 4.26Å; I153-Q158 HydrophobicContact CG2-CG 3.75Å; L155-Q158 PolarHBondContact O-N 3.18Å |
| 159 | N | 63.5 | Low | 59.9 | Low | 55 Ų | 55 | 99 Ų | 99 | 29% | 0.294 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -117 | 25.6 | -178.1 | -70.7 | -34.5 | 0 | 0 | 0 | 112.8 | M157 V161 | M157-N159 VanDerWaalsContact C-N 3.35Å; N159-V161 PolarHBondContact O-N 3.01Å |
| 160 | K | 68.9 | Low | 60.5 | Low | 126 Ų | 126 | 97.8 Ų | 97.8 | 55% | 0.548 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 132.9 | 178 | -167.2 | -163.1 | 176.2 | -162.3 | 0 | 110.3 | W97 D163 | W97-K160 WeakPolarHBondContact CZ2-O 3.45Å; K160-D163 IonicContact NZ-OD1 2.7Å; K160-D163 PolarHBondContact NZ-OD1 3Å |
| 161 | V | 70.5 | Confident | 61.4 | Low | 39 Ų | 39 | 95.4 Ų | 95.4 | 24% | 0.236 | 54% | 0.539 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 137.3 | 170.7 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | N159 F165 L175 | N159-V161 PolarHBondContact O-N 3.01Å; V161-F165 HydrophobicContact CG1-CB 3.61Å; V161-F165 HydrophobicContact CG1-CG 4.22Å; V161-L175 HydrophobicContact CG1-CB 4.43Å; V161-L175 HydrophobicContact CG1-CD1 3.8Å |
| 162 | P | 74.4 | Confident | 62.4 | Low | 63 Ų | 63 | 94.8 Ų | 94.8 | 41% | 0.409 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -51.4 | 143.1 | 176.9 | -28.6 | 34.6 | 0 | 0 | 0 | 112.4 | W97 | W97-P162 HydrophobicContact CD2-CG 4.11Å; W97-P162 HydrophobicContact CG-CG 4.24Å |
| 163 | D | 64.1 | Low | 63.3 | Low | 122 Ų | 122 | 92.9 Ų | 92.9 | 65% | 0.652 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 139.5 | 177.7 | -62.2 | -32.6 | 0 | 0 | 0 | 110.1 | K160 | K160-D163 IonicContact NZ-OD1 2.7Å; K160-D163 PolarHBondContact NZ-OD1 3Å |
| 164 | G | 63.2 | Low | 64.4 | Low | 36 Ų | 36 | 94.8 Ų | 94.8 | 37% | 0.371 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.6 | -2.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | D167 | G164-D167 WeakPolarHBondContact CA-OD2 3.47Å; G164-D167 PolarHBondContact N-OD2 3.39Å |
| 165 | F | 61.7 | Low | 65 | Low | 46 Ų | 46 | 93.1 Ų | 93.1 | 20% | 0.202 | 51% | 0.512 | C | S | . | . | S | Bend | trans | -100.1 | -29.8 | 174.9 | -119.6 | -101.3 | 0 | 0 | 0 | 113.3 | V161 K172 D174 L175 | V161-F165 HydrophobicContact CG1-CB 3.61Å; V161-F165 HydrophobicContact CG1-CG 4.22Å; F165-K172 HydrophobicContact CD1-CB 3.56Å; F165-K172 WeakPolarHBondContact CD1-O 3.46Å; F165-K172 HydrophobicContact CD2-CB 4.46Å; F165-K172 HydrophobicContact CD2-CD 4.5Å; F165-K172 HydrophobicContact CE1-CB 3.47Å; F165-K172 VanDerWaalsContact CE1-CB 3.47Å; F165-K172 WeakPolarHBondContact CE1-O 3.31Å; F165-K172 HydrophobicContact CE2-CB 4.43Å; F165-K172 HydrophobicContact CE2-CD 4.37Å; F165-K172 HydrophobicContact CG-CB 4.04Å; F165-K172 HydrophobicContact CZ-CB 3.94Å; F165-K172 HydrophobicContact CZ-CD 4.49Å; F165-K172 PolarHBondContact O-N 3.18Å; F165-D174 HydrophobicContact CE1-CB 3.93Å; F165-D174 HydrophobicContact CZ-CB 4.04Å; F165-L175 HydrophobicContact CB-CD1 4.34Å; F165-L175 HydrophobicContact CD1-CB 3.88Å; F165-L175 HydrophobicContact CD1-CD1 3.55Å; F165-L175 HydrophobicContact CD1-CG 3.72Å; F165-L175 HydrophobicContact CD2-CD1 3.59Å; F165-L175 HydrophobicContact CD2-CG 4.36Å; F165-L175 HydrophobicContact CE1-CB 3.81Å; F165-L175 HydrophobicContact CE1-CD1 3.69Å; F165-L175 HydrophobicContact CE1-CG 3.41Å; F165-L175 VanDerWaalsContact CE1-CG 3.41Å; F165-L175 HydrophobicContact CE2-CD1 3.68Å; F165-L175 HydrophobicContact CE2-CG 4.06Å; F165-L175 HydrophobicContact CG-CD1 3.54Å; F165-L175 HydrophobicContact CG-CG 4.22Å; F165-L175 HydrophobicContact CZ-CB 4.48Å; F165-L175 HydrophobicContact CZ-CD1 3.76Å; F165-L175 HydrophobicContact CZ-CG 3.6Å |
| 166 | E | 62.7 | Low | 65.6 | Low | 84 Ų | 84 | 93.4 Ų | 93.4 | 39% | 0.393 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 43.1 | -177.8 | -58.6 | -167.6 | 153.4 | 0 | 0 | 111.9 | R176 | E166-R176 IonicContact OE1-CZ 3.66Å; E166-R176 IonicContact OE1-NE 3.58Å; E166-R176 PolarHBondContact OE1-NE 3.33Å; E166-R176 IonicContact OE1-NH2 2.75Å; E166-R176 PolarHBondContact OE1-NH2 3.15Å; E166-R176 IonicContact OE2-NH2 3.14Å |
| 167 | D | 59.5 | Low | 66.3 | Low | 90 Ų | 90 | 91.7 Ų | 91.7 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 131.4 | 164.3 | -60.1 | -48.1 | 0 | 0 | 0 | 106.4 | G164 D169 H170 | G164-D167 WeakPolarHBondContact CA-OD2 3.47Å; G164-D167 PolarHBondContact N-OD2 3.39Å; D167-D169 PolarHBondContact O-N 3.49Å; D167-H170 PolarHBondContact O-N 2.96Å |
| 168 | G | 61.1 | Low | 67.3 | Low | 92 Ų | 92 | 94.6 Ų | 94.6 | 95% | 0.948 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 2.4 | -163.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 169 | D | 68.2 | Low | 68 | Low | 145 Ų | 145 | 95.9 Ų | 95.9 | 78% | 0.775 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -24.7 | 174.2 | -152.5 | 36 | 0 | 0 | 0 | 113.1 | D167 | D167-D169 PolarHBondContact O-N 3.49Š|
| 170 | H | 61.6 | Low | 68.9 | Low | 121 Ų | 121 | 96.9 Ų | 96.9 | 56% | 0.56 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 108.2 | -179.9 | -66 | 78.8 | 0 | 0 | 0 | 111.3 | D167 | D167-H170 PolarHBondContact O-N 2.96Å |
| 171 | V | 66.3 | Low | 69.7 | Low | 96 Ų | 96 | 95 Ų | 95 | 58% | 0.582 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 98.8 | 176.9 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | V173 | V171-V173 HydrophobicContact CG1-CG2 4.04Å |
| 172 | K | 66.6 | Low | 70.3 | Confident | 104 Ų | 104 | 101 Ų | 101 | 45% | 0.452 | 57% | 0.568 | S | S | . | * | trans | -93.2 | 117.6 | 171 | -67.3 | 176 | -177.1 | 167.4 | 0 | 108.1 | F165 | F165-K172 HydrophobicContact CD1-CB 3.56Å; F165-K172 WeakPolarHBondContact CD1-O 3.46Å; F165-K172 HydrophobicContact CD2-CB 4.46Å; F165-K172 HydrophobicContact CD2-CD 4.5Å; F165-K172 HydrophobicContact CE1-CB 3.47Å; F165-K172 VanDerWaalsContact CE1-CB 3.47Å; F165-K172 WeakPolarHBondContact CE1-O 3.31Å; F165-K172 HydrophobicContact CE2-CB 4.43Å; F165-K172 HydrophobicContact CE2-CD 4.37Å; F165-K172 HydrophobicContact CG-CB 4.04Å; F165-K172 HydrophobicContact CZ-CB 3.94Å; F165-K172 HydrophobicContact CZ-CD 4.49Å; F165-K172 PolarHBondContact O-N 3.18Å | ||
| 173 | V | 68.1 | Low | 70.7 | Confident | 80 Ų | 80 | 100.9 Ų | 100.9 | 49% | 0.485 | 57% | 0.573 | S | S | . | * | trans | -91.9 | -6.3 | -170.6 | -164.7 | 0 | 0 | 0 | 0 | 112.2 | V171 L175 R176 | V171-V173 HydrophobicContact CG1-CG2 4.04Å; V173-L175 PolarHBondContact O-N 3.4Å; V173-R176 HydrophobicContact CG1-CB 4.2Å; V173-R176 HydrophobicContact CG1-CG 4.17Å; V173-R176 WeakPolarHBondContact O-CB 3.42Å; V173-R176 PolarHBondContact O-N 3.04Å | ||
| 174 | D | 73.7 | Confident | 71.6 | Confident | 119 Ų | 119 | 99 Ų | 99 | 64% | 0.636 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -19 | -169.8 | -46.2 | -37.2 | 0 | 0 | 0 | 115.3 | F165 | F165-D174 HydrophobicContact CE1-CB 3.93Å; F165-D174 HydrophobicContact CZ-CB 4.04Å |
| 175 | L | 70.8 | Confident | 72.5 | Confident | 41 Ų | 41 | 104.9 Ų | 104.9 | 22% | 0.215 | 58% | 0.575 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -95.9 | -7.8 | 178.7 | -71.1 | 177.4 | 0 | 0 | 0 | 113.4 | W97 V161 F165 V173 | W97-L175 HydrophobicContact CB-CD2 4Å; V161-L175 HydrophobicContact CG1-CB 4.43Å; V161-L175 HydrophobicContact CG1-CD1 3.8Å; F165-L175 HydrophobicContact CB-CD1 4.34Å; F165-L175 HydrophobicContact CD1-CB 3.88Å; F165-L175 HydrophobicContact CD1-CD1 3.55Å; F165-L175 HydrophobicContact CD1-CG 3.72Å; F165-L175 HydrophobicContact CD2-CD1 3.59Å; F165-L175 HydrophobicContact CD2-CG 4.36Å; F165-L175 HydrophobicContact CE1-CB 3.81Å; F165-L175 HydrophobicContact CE1-CD1 3.69Å; F165-L175 HydrophobicContact CE1-CG 3.41Å; F165-L175 VanDerWaalsContact CE1-CG 3.41Å; F165-L175 HydrophobicContact CE2-CD1 3.68Å; F165-L175 HydrophobicContact CE2-CG 4.06Å; F165-L175 HydrophobicContact CG-CD1 3.54Å; F165-L175 HydrophobicContact CG-CG 4.22Å; F165-L175 HydrophobicContact CZ-CB 4.48Å; F165-L175 HydrophobicContact CZ-CD1 3.76Å; F165-L175 HydrophobicContact CZ-CG 3.6Å; V173-L175 PolarHBondContact O-N 3.4Å |
| 176 | R | 70.1 | Confident | 73.5 | Confident | 134 Ų | 134 | 110.7 Ų | 110.7 | 51% | 0.506 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -77 | 143.6 | 177.2 | -64.7 | -164.8 | -174.6 | 173.1 | -4.3 | 110.1 | E166 V173 | E166-R176 IonicContact OE1-CZ 3.66Å; E166-R176 IonicContact OE1-NE 3.58Å; E166-R176 PolarHBondContact OE1-NE 3.33Å; E166-R176 IonicContact OE1-NH2 2.75Å; E166-R176 PolarHBondContact OE1-NH2 3.15Å; E166-R176 IonicContact OE2-NH2 3.14Å; V173-R176 HydrophobicContact CG1-CB 4.2Å; V173-R176 HydrophobicContact CG1-CG 4.17Å; V173-R176 WeakPolarHBondContact O-CB 3.42Å; V173-R176 PolarHBondContact O-N 3.04Å |
| 177 | P | 75.1 | Confident | 74.6 | Confident | 120 Ų | 120 | 110.6 Ų | 110.6 | 78% | 0.779 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 149.5 | 166 | -22.2 | 33.3 | 0 | 0 | 0 | 111.4 | ||
| 178 | E | 79.9 | Confident | 75.8 | Confident | 191 Ų | 191 | 108.4 Ų | 108.4 | 89% | 0.893 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 144.4 | 172.3 | -65.9 | 178 | 177.5 | 0 | 0 | 110.6 | ||
| 179 | S | 77.4 | Confident | 77 | Confident | 110 Ų | 110 | 107.8 Ų | 107.8 | 77% | 0.769 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 134.2 | 178.2 | 54.2 | 0 | 0 | 0 | 0 | 111 | ||
| 180 | S | 82.1 | Confident | 77.8 | Confident | 75 Ų | 75 | 107 Ų | 107 | 52% | 0.524 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -65.8 | 139.1 | 177.8 | -52 | 0 | 0 | 0 | 0 | 112.3 | ||
| 181 | T | 86.9 | Confident | 79.1 | Confident | 87 Ų | 87 | 109 Ų | 109 | 53% | 0.534 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -94.4 | 158.1 | 176.3 | -53.7 | 0 | 0 | 0 | 0 | 110.7 | A183 D184 Y185 | T181-A183 PolarHBondContact O-N 3.37Å; T181-D184 PolarHBondContact N-OD2 2.87Å; T181-D184 WeakPolarHBondContact O-CB 3.36Å; T181-D184 PolarHBondContact O-N 3.05Å; T181-Y185 WeakPolarHBondContact O-CD2 3.41Å; T181-Y185 PolarHBondContact O-N 2.85Å |
| 182 | E | 82.4 | Confident | 80 | Confident | 164 Ų | 164 | 106 Ų | 106 | 77% | 0.766 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -53.2 | -37.8 | 176.8 | -67 | 177.8 | 177.2 | 0 | 0 | 113.1 | D184 Y185 E186 | E182-D184 VanDerWaalsContact C-N 3.27Å; E182-D184 PolarHBondContact O-N 3.28Å; E182-Y185 PolarHBondContact O-N 3.06Å; E182-E186 PolarHBondContact O-N 3.46Å; E182-E186 VanDerWaalsContact O-N 3.15Å |
| 183 | A | 83.3 | Confident | 81 | Confident | 61 Ų | 61 | 106.6 Ų | 106.6 | 50% | 0.504 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.7 | -30.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T181 E186 S187 | T181-A183 PolarHBondContact O-N 3.37Å; A183-E186 PolarHBondContact O-N 3.07Å; A183-S187 PolarHBondContact O-N 3.09Å; A183-S187 VanDerWaalsContact O-N 3.09Å |
| 184 | D | 83.3 | Confident | 82 | Confident | 82 Ų | 82 | 104.2 Ų | 104.2 | 44% | 0.439 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -70.8 | -38.1 | 178.2 | -58.4 | -37.4 | 0 | 0 | 0 | 110.5 | T181 E182 S187 V188 | T181-D184 PolarHBondContact N-OD2 2.87Å; T181-D184 WeakPolarHBondContact O-CB 3.36Å; T181-D184 PolarHBondContact O-N 3.05Å; E182-D184 VanDerWaalsContact C-N 3.27Å; E182-D184 PolarHBondContact O-N 3.28Å; D184-S187 PolarHBondContact O-N 2.96Å; D184-S187 PolarHBondContact O-OG 3.21Å; D184-V188 PolarHBondContact O-N 2.97Å |
| 185 | Y | 81.8 | Confident | 82.6 | Confident | 161 Ų | 161 | 102.3 Ų | 102.3 | 63% | 0.631 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.1 | -35.3 | 175.5 | -69.2 | -72.4 | 0 | 0 | 0 | 112.7 | T181 E182 S187 V188 | T181-Y185 WeakPolarHBondContact O-CD2 3.41Å; T181-Y185 PolarHBondContact O-N 2.85Å; E182-Y185 PolarHBondContact O-N 3.06Å; Y185-S187 VanDerWaalsContact C-N 3.34Å; Y185-V188 CarbonylContact O-C 3.15Å |
| 186 | E | 83.6 | Confident | 83.4 | Confident | 167 Ų | 167 | 100.5 Ų | 100.5 | 78% | 0.78 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.3 | -35.3 | 173.9 | -69.8 | -174.7 | 173.4 | 0 | 0 | 112 | E182 A183 | E182-E186 PolarHBondContact O-N 3.46Å; E182-E186 VanDerWaalsContact O-N 3.15Å; A183-E186 PolarHBondContact O-N 3.07Å |
| 187 | S | 84.9 | Confident | 84.2 | Confident | 82 Ų | 82 | 97.3 Ų | 97.3 | 57% | 0.573 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.6 | -29.3 | -179.2 | 77.7 | 0 | 0 | 0 | 0 | 113.8 | A183 D184 Y185 | A183-S187 PolarHBondContact O-N 3.09Å; A183-S187 VanDerWaalsContact O-N 3.09Å; D184-S187 PolarHBondContact O-N 2.96Å; D184-S187 PolarHBondContact O-OG 3.21Å; Y185-S187 VanDerWaalsContact C-N 3.34Å |
| 188 | V | 85.4 | Confident | 84.8 | Confident | 44 Ų | 44 | 95.4 Ų | 95.4 | 27% | 0.267 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -124.6 | 96.8 | -179.1 | -173.3 | 0 | 0 | 0 | 0 | 110.5 | L87 D184 Y185 A192 | L87-V188 HydrophobicContact CD1-CG1 3.9Å; L87-V188 HydrophobicContact CD1-CG2 4.22Å; D184-V188 PolarHBondContact O-N 2.97Å; Y185-V188 CarbonylContact O-C 3.15Å; V188-A192 HydrophobicContact CG1-CB 4.48Å |
| 189 | P | 85.8 | Confident | 85.1 | Confident | 80 Ų | 80 | 89.4 Ų | 89.4 | 52% | 0.519 | 49% | 0.492 | S | S | . | . | trans | -55.3 | 145.5 | 171.3 | -24.8 | 33.8 | 0 | 0 | 0 | 111.7 | E191 A192 Y193 | P189-E191 PolarHBondContact O-N 3.35Å; P189-E191 VanDerWaalsContact O-N 3.15Å; P189-A192 HydrophobicContact CB-CB 4.44Å; P189-A192 WeakPolarHBondContact O-CA 3.14Å; P189-A192 WeakPolarHBondContact O-CB 3.3Å; P189-A192 PolarHBondContact O-N 3.3Å; P189-Y193 PolarHBondContact O-N 3.34Å | ||
| 190 | V | 85 | Confident | 85.4 | Confident | 127 Ų | 127 | 85 Ų | 85 | 77% | 0.77 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -54.5 | -38.7 | -176.7 | -179.3 | 0 | 0 | 0 | 0 | 112.4 | Y193 G194 | V190-Y193 PolarHBondContact O-N 2.73Å; V190-G194 PolarHBondContact O-N 2.62Å |
| 191 | E | 87.8 | Confident | 85.4 | Confident | 165 Ų | 165 | 86.8 Ų | 86.8 | 77% | 0.771 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.9 | -41.9 | 176.6 | -62.2 | -176.9 | 176.4 | 0 | 0 | 112.2 | P189 G194 L195 | P189-E191 PolarHBondContact O-N 3.35Å; P189-E191 VanDerWaalsContact O-N 3.15Å; E191-G194 PolarHBondContact O-N 3.38Å; E191-L195 VanDerWaalsContact O-CG 3.3Å; E191-L195 WeakPolarHBondContact O-CG 3.36Å; E191-L195 PolarHBondContact O-N 3.17Å |
| 192 | A | 86.9 | Confident | 85 | Confident | 32 Ų | 32 | 85.4 Ų | 85.4 | 26% | 0.264 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L87 V188 P189 L195 A196 | L87-A192 HydrophobicContact CD1-CB 4.34Å; V188-A192 HydrophobicContact CG1-CB 4.48Å; P189-A192 HydrophobicContact CB-CB 4.44Å; P189-A192 WeakPolarHBondContact O-CA 3.14Å; P189-A192 WeakPolarHBondContact O-CB 3.3Å; P189-A192 PolarHBondContact O-N 3.3Å; A192-L195 PolarHBondContact O-N 3.41Å; A192-A196 WeakPolarHBondContact O-CB 3.35Å; A192-A196 PolarHBondContact O-N 3.07Å |
| 193 | Y | 87.5 | Confident | 85 | Confident | 117 Ų | 117 | 81.1 Ų | 81.1 | 46% | 0.459 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.2 | -48 | 173.2 | 178.4 | -98.7 | 0 | 0 | 0 | 112 | I89 P189 V190 L195 A196 M197 | I89-Y193 HydrophobicContact CD1-CD2 3.64Å; I89-Y193 HydrophobicContact CD1-CE2 3.4Å; I89-Y193 VanDerWaalsContact CD1-CE2 3.4Å; P189-Y193 PolarHBondContact O-N 3.34Å; V190-Y193 PolarHBondContact O-N 2.73Å; Y193-L195 VanDerWaalsContact C-N 3.35Å; Y193-L195 PolarHBondContact O-N 3.38Å; Y193-A196 WeakPolarHBondContact O-CB 3.37Å; Y193-A196 PolarHBondContact O-N 2.86Å; Y193-A196 VanDerWaalsContact O-N 3.15Å; Y193-M197 HydrophobicContact CD1-CE 4.49Å; Y193-M197 HydrophobicContact CE1-CE 3.53Å; Y193-M197 PolarHBondContact O-N 2.99Å |
| 194 | G | 87.6 | Confident | 84.9 | Confident | 30 Ų | 30 | 84.1 Ų | 84.1 | 31% | 0.309 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V190 E191 A196 M197 L198 | V190-G194 PolarHBondContact O-N 2.62Å; E191-G194 PolarHBondContact O-N 3.38Å; G194-A196 VanDerWaalsContact C-N 3.33Å; G194-A196 PolarHBondContact O-N 3.45Å; G194-M197 PolarHBondContact O-N 3.11Å; G194-L198 WeakPolarHBondContact O-CG 3.14Å; G194-L198 PolarHBondContact O-N 3.44Å |
| 195 | L | 86.9 | Confident | 84.7 | Confident | 79 Ų | 79 | 88.2 Ų | 88.2 | 41% | 0.414 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 174.5 | -70.3 | 172.9 | 0 | 0 | 0 | 112.2 | E191 A192 Y193 L198 K199 W203 | E191-L195 VanDerWaalsContact O-CG 3.3Å; E191-L195 WeakPolarHBondContact O-CG 3.36Å; E191-L195 PolarHBondContact O-N 3.17Å; A192-L195 PolarHBondContact O-N 3.41Å; Y193-L195 VanDerWaalsContact C-N 3.35Å; Y193-L195 PolarHBondContact O-N 3.38Å; L195-L198 PolarHBondContact O-N 2.66Å; L195-K199 WeakPolarHBondContact O-CB 3.35Å; L195-K199 VanDerWaalsContact O-CG 3.24Å; L195-K199 WeakPolarHBondContact O-CG 3.21Å; L195-K199 PolarHBondContact O-N 3.17Å; L195-W203 HydrophobicContact CD2-CH2 4.22Å; L195-W203 HydrophobicContact CD2-CZ3 3.86Å |
| 196 | A | 87.6 | Confident | 84.3 | Confident | 2 Ų | 2 | 88.9 Ų | 88.9 | 2% | 0.017 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L87 I89 A192 Y193 G194 G200 | L87-A196 HydrophobicContact CB-CB 3.57Å; L87-A196 VanDerWaalsContact O-CA 3.22Å; L87-A196 WeakPolarHBondContact O-CA 3.48Å; L87-A196 WeakPolarHBondContact O-CB 3.35Å; I89-A196 HydrophobicContact CD1-CB 3.99Å; I89-A196 HydrophobicContact CG1-CB 3.95Å; I89-A196 PolarHBondContact N-O 3.2Å; A192-A196 WeakPolarHBondContact O-CB 3.35Å; A192-A196 PolarHBondContact O-N 3.07Å; Y193-A196 WeakPolarHBondContact O-CB 3.37Å; Y193-A196 PolarHBondContact O-N 2.86Å; Y193-A196 VanDerWaalsContact O-N 3.15Å; G194-A196 VanDerWaalsContact C-N 3.33Å; G194-A196 PolarHBondContact O-N 3.45Å; A196-G200 PolarHBondContact O-N 3.17Å |
| 197 | M | 87.4 | Confident | 84 | Confident | 68 Ų | 68 | 83.8 Ų | 83.8 | 34% | 0.335 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.1 | -48.1 | 173.7 | -174.5 | -176.3 | -62.3 | 0 | 0 | 111.3 | Y193 G194 K199 G200 M201 | Y193-M197 HydrophobicContact CD1-CE 4.49Å; Y193-M197 HydrophobicContact CE1-CE 3.53Å; Y193-M197 PolarHBondContact O-N 2.99Å; G194-M197 PolarHBondContact O-N 3.11Å; M197-K199 VanDerWaalsContact C-N 3.33Å; M197-K199 PolarHBondContact O-N 3.42Å; M197-G200 PolarHBondContact O-N 2.96Å; M197-G200 VanDerWaalsContact O-N 3.14Å; M197-M201 HydrophobicContact CG-CE 3.8Å; M197-M201 HydrophobicContact CG-SD 4.46Å; M197-M201 WeakPolarHBondContact O-CG 3.48Å; M197-M201 PolarHBondContact O-N 3.17Å; M197-M201 HydrophobicContact SD-CE 4.02Å |
| 198 | L | 86.4 | Confident | 83.3 | Confident | 79 Ų | 79 | 80.5 Ų | 80.5 | 41% | 0.414 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 177.2 | -70 | 172.8 | 0 | 0 | 0 | 111.2 | G194 L195 G200 M201 G202 W203 | G194-L198 WeakPolarHBondContact O-CG 3.14Å; G194-L198 PolarHBondContact O-N 3.44Å; L195-L198 PolarHBondContact O-N 2.66Å; L198-G200 VanDerWaalsContact C-N 3.29Å; L198-G200 PolarHBondContact O-N 3.26Å; L198-M201 CarbonylContact O-C 3.54Å; L198-M201 WeakPolarHBondContact O-CB 3.22Å; L198-M201 PolarHBondContact O-N 3.45Å; L198-M201 VanDerWaalsContact O-N 3.11Å; L198-G202 PolarHBondContact O-N 2.89Å; L198-W203 HydrophobicContact CB-CB 3.92Å; L198-W203 HydrophobicContact CB-CD2 4.32Å; L198-W203 HydrophobicContact CB-CE3 4.18Å; L198-W203 HydrophobicContact CB-CG 4.24Å; L198-W203 WeakPolarHBondContact O-CB 2.97Å; L198-W203 PolarHBondContact O-N 2.77Å |
| 199 | K | 86.6 | Confident | 82.7 | Confident | 65 Ų | 65 | 85.4 Ų | 85.4 | 28% | 0.283 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57.1 | -42.2 | 174.8 | -77.4 | 175.5 | -179.2 | 178.5 | 0 | 112.2 | D86 I88 L195 M197 M201 G202 W203 | D86-K199 IonicContact OD1-NZ 2.82Å; D86-K199 PolarHBondContact OD1-NZ 3.31Å; I88-K199 HydrophobicContact CG1-CB 4.27Å; I88-K199 HydrophobicContact CG1-CD 4.36Å; I88-K199 HydrophobicContact CG2-CB 4.46Å; L195-K199 WeakPolarHBondContact O-CB 3.35Å; L195-K199 VanDerWaalsContact O-CG 3.24Å; L195-K199 WeakPolarHBondContact O-CG 3.21Å; L195-K199 PolarHBondContact O-N 3.17Å; M197-K199 VanDerWaalsContact C-N 3.33Å; M197-K199 PolarHBondContact O-N 3.42Å; K199-M201 VanDerWaalsContact C-N 3.31Å; K199-M201 PolarHBondContact O-N 3.44Å; K199-G202 PolarHBondContact O-N 2.94Å; K199-W203 WeakPolarHBondContact CA-O 3.43Å |
| 200 | G | 84.6 | Confident | 82 | Confident | 18 Ų | 18 | 83.2 Ų | 83.2 | 19% | 0.186 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -72 | -21.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | I89 A196 M197 L198 G202 | I89-G200 VanDerWaalsContact O-CA 3.27Å; I89-G200 WeakPolarHBondContact O-CA 3.24Å; A196-G200 PolarHBondContact O-N 3.17Å; M197-G200 PolarHBondContact O-N 2.96Å; M197-G200 VanDerWaalsContact O-N 3.14Å; L198-G200 VanDerWaalsContact C-N 3.29Å; L198-G200 PolarHBondContact O-N 3.26Å; G200-G202 PolarHBondContact O-N 3.43Å |
| 201 | M | 82.3 | Confident | 81.1 | Confident | 113 Ų | 113 | 89 Ų | 89 | 56% | 0.557 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 1.9 | 167 | -65.1 | 176.7 | 177.3 | 0 | 0 | 112.9 | M197 L198 K199 | M197-M201 HydrophobicContact CG-CE 3.8Å; M197-M201 HydrophobicContact CG-SD 4.46Å; M197-M201 WeakPolarHBondContact O-CG 3.48Å; M197-M201 PolarHBondContact O-N 3.17Å; M197-M201 HydrophobicContact SD-CE 4.02Å; L198-M201 CarbonylContact O-C 3.54Å; L198-M201 WeakPolarHBondContact O-CB 3.22Å; L198-M201 PolarHBondContact O-N 3.45Å; L198-M201 VanDerWaalsContact O-N 3.11Å; K199-M201 VanDerWaalsContact C-N 3.31Å; K199-M201 PolarHBondContact O-N 3.44Å |
| 202 | G | 78.4 | Confident | 79.9 | Confident | 57 Ų | 57 | 86.6 Ų | 86.6 | 59% | 0.588 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.1 | 9.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L198 K199 G200 | L198-G202 PolarHBondContact O-N 2.89Å; K199-G202 PolarHBondContact O-N 2.94Å; G200-G202 PolarHBondContact O-N 3.43Å |
| 203 | W | 82.5 | Confident | 78.6 | Confident | 75 Ų | 75 | 93 Ų | 93 | 28% | 0.284 | 47% | 0.467 | S | S | . | . | trans | -73.4 | 129.3 | 175.7 | -175.7 | 82.3 | 0 | 0 | 0 | 111.4 | L195 L198 K199 K205 | L195-W203 HydrophobicContact CD2-CH2 4.22Å; L195-W203 HydrophobicContact CD2-CZ3 3.86Å; L198-W203 HydrophobicContact CB-CB 3.92Å; L198-W203 HydrophobicContact CB-CD2 4.32Å; L198-W203 HydrophobicContact CB-CE3 4.18Å; L198-W203 HydrophobicContact CB-CG 4.24Å; L198-W203 WeakPolarHBondContact O-CB 2.97Å; L198-W203 PolarHBondContact O-N 2.77Å; K199-W203 WeakPolarHBondContact CA-O 3.43Å; W203-K205 HydrophobicContact CH2-CB 3.99Å; W203-K205 HydrophobicContact CH2-CG 4.31Å; W203-K205 HydrophobicContact CZ3-CB 4.33Å | ||
| 204 | K | 81.3 | Confident | 77.8 | Confident | 123 Ų | 123 | 93.5 Ų | 93.5 | 54% | 0.535 | 47% | 0.472 | S | S | . | . | B | Isolated β-bridge | trans | -123.4 | 139.1 | 170.3 | -59.7 | -177.5 | -161.1 | 146.3 | 0 | 108.9 | E206 E207 | K204-E206 PolarHBondContact O-N 3.42Å; K204-E207 HydrophobicContact CB-CB 3.97Å; K204-E207 WeakPolarHBondContact CD-OE2 3.23Å; K204-E207 IonicContact NZ-OE2 3.56Å; K204-E207 PolarHBondContact NZ-OE2 3.44Å; K204-E207 PolarHBondContact O-N 2.98Å; K204-E207 VanDerWaalsContact O-N 3.12Å; K204-E207 VanDerWaalsContact O-O 3.13Å |
| 205 | K | 78.3 | Confident | 77 | Confident | 168 Ų | 168 | 99.1 Ų | 99.1 | 73% | 0.73 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -26.7 | -178 | -172.7 | 176.6 | 178.7 | -179.2 | 0 | 113.8 | W203 | W203-K205 HydrophobicContact CH2-CB 3.99Å; W203-K205 HydrophobicContact CH2-CG 4.31Å; W203-K205 HydrophobicContact CZ3-CB 4.33Å |
| 206 | E | 73.8 | Confident | 76.1 | Confident | 176 Ų | 176 | 99.5 Ų | 99.5 | 82% | 0.822 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -5.3 | -175.6 | -58 | -175.6 | 168 | 0 | 0 | 113.5 | K204 | K204-E206 PolarHBondContact O-N 3.42Š|
| 207 | E | 77.1 | Confident | 75.3 | Confident | 60 Ų | 60 | 104.5 Ų | 104.5 | 28% | 0.28 | 52% | 0.523 | S | S | . | . | B | Isolated β-bridge | trans | -114.4 | 123.9 | -175.7 | -161.6 | 173.6 | 172.1 | 0 | 0 | 109.5 | K204 K214 | K204-E207 HydrophobicContact CB-CB 3.97Å; K204-E207 WeakPolarHBondContact CD-OE2 3.23Å; K204-E207 IonicContact NZ-OE2 3.56Å; K204-E207 PolarHBondContact NZ-OE2 3.44Å; K204-E207 PolarHBondContact O-N 2.98Å; K204-E207 VanDerWaalsContact O-N 3.12Å; K204-E207 VanDerWaalsContact O-O 3.13Å; E207-K214 HydrophobicContact CG-CB 4.09Å; E207-K214 HydrophobicContact CG-CD 4.22Å; E207-K214 HydrophobicContact CG-CG 4.42Å; E207-K214 VanDerWaalsContact OE1-CD 3.25Å; E207-K214 WeakPolarHBondContact OE1-CD 3.3Å; E207-K214 VanDerWaalsContact OE1-CE 3.28Å; E207-K214 WeakPolarHBondContact OE1-CE 3.44Å; E207-K214 IonicContact OE1-NZ 3.44Å; E207-K214 PolarHBondContact OE1-NZ 3.22Å |
| 208 | G | 71.2 | Confident | 74.7 | Confident | 13 Ų | 13 | 108.9 Ų | 108.9 | 13% | 0.134 | 54% | 0.54 | C | S | . | . | trans | -64.8 | 145.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G210 K214 | G208-G210 PolarHBondContact O-N 2.98Å; G208-K214 PolarHBondContact N-O 2.99Å | ||
| 209 | I | 72.9 | Confident | 74.3 | Confident | 146 Ų | 146 | 110.8 Ų | 110.8 | 75% | 0.749 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -75.1 | -4.3 | -175.3 | -54.3 | 168.2 | 0 | 0 | 0 | 112.2 | ||
| 210 | G | 70.2 | Confident | 73.9 | Confident | 34 Ų | 34 | 115.3 Ų | 115.3 | 35% | 0.351 | 58% | 0.582 | S | S | . | * | trans | -73.4 | 136 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G208 T212 | G208-G210 PolarHBondContact O-N 2.98Å; G210-T212 VanDerWaalsContact C-N 3.29Å; G210-T212 PolarHBondContact O-N 2.9Å | ||
| 211 | R | 65.1 | Low | 73.7 | Confident | 250 Ų | 250 | 122.9 Ų | 122.9 | 94% | 0.943 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -59.3 | -36.3 | 175 | -173.4 | 177.7 | -179.5 | -179 | 1.6 | 113.3 | ||
| 212 | T | 62.6 | Low | 73.4 | Confident | 114 Ų | 114 | 124.9 Ų | 124.9 | 70% | 0.699 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -109.2 | -27.7 | -174.9 | -36.7 | 0 | 0 | 0 | 0 | 112.8 | G210 | G210-T212 VanDerWaalsContact C-N 3.29Å; G210-T212 PolarHBondContact O-N 2.9Å |
| 213 | F | 61.6 | Low | 73.2 | Confident | 165 Ų | 165 | 129.4 Ų | 129.4 | 72% | 0.724 | 63% | 0.627 | S | S | * | * | trans | -131.8 | 102.6 | 179.8 | -63.3 | -78.9 | 0 | 0 | 0 | 109.8 | Q215 | F213-Q215 PolarHBondContact O-N 3.36Š| ||
| 214 | K | 69.4 | Low | 72.8 | Confident | 128 Ų | 128 | 132.9 Ų | 132.9 | 56% | 0.557 | 65% | 0.65 | S | S | * | * | trans | -85.2 | 30.8 | 179.1 | -64.9 | 174.9 | 163.9 | -156.8 | 0 | 112.8 | E207 G208 | E207-K214 HydrophobicContact CG-CB 4.09Å; E207-K214 HydrophobicContact CG-CD 4.22Å; E207-K214 HydrophobicContact CG-CG 4.42Å; E207-K214 VanDerWaalsContact OE1-CD 3.25Å; E207-K214 WeakPolarHBondContact OE1-CD 3.3Å; E207-K214 VanDerWaalsContact OE1-CE 3.28Å; E207-K214 WeakPolarHBondContact OE1-CE 3.44Å; E207-K214 IonicContact OE1-NZ 3.44Å; E207-K214 PolarHBondContact OE1-NZ 3.22Å; G208-K214 PolarHBondContact N-O 2.99Å | ||
| 215 | Q | 71.4 | Confident | 72.4 | Confident | 148 Ų | 148 | 132.7 Ų | 132.7 | 69% | 0.692 | 65% | 0.646 | S | S | * | * | trans | -81.6 | 131.3 | -179.7 | -169.2 | 172.3 | 8.3 | 0 | 0 | 109.8 | F213 V217 | F213-Q215 PolarHBondContact O-N 3.36Å; Q215-V217 PolarHBondContact O-N 3.35Å | ||
| 216 | D | 67.7 | Low | 72.3 | Confident | 87 Ų | 87 | 127.6 Ų | 127.6 | 47% | 0.465 | 63% | 0.63 | S | S | . | * | trans | -67.4 | 96.3 | 168 | 179.3 | 27.2 | 0 | 0 | 0 | 109 | K218 | D216-K218 PolarHBondContact O-N 3.44Š| ||
| 217 | V | 69.6 | Low | 72.6 | Confident | 107 Ų | 107 | 129.4 Ų | 129.4 | 65% | 0.648 | 64% | 0.635 | S | S | * | * | trans | -88.5 | 99.9 | 175.8 | -177.8 | 0 | 0 | 0 | 0 | 107.7 | Q215 | Q215-V217 PolarHBondContact O-N 3.35Š| ||
| 218 | K | 76.2 | Confident | 72.5 | Confident | 161 Ų | 161 | 130.8 Ų | 130.8 | 70% | 0.7 | 67% | 0.666 | S | S | * | * | trans | -57.8 | 136.9 | 172.2 | -64.9 | -175.4 | -178.4 | -179.6 | 0 | 109.7 | D216 I220 | D216-K218 PolarHBondContact O-N 3.44Å; K218-I220 PolarHBondContact O-N 2.96Å | ||
| 219 | P | 77.8 | Confident | 72.8 | Confident | 119 Ų | 119 | 131.9 Ų | 131.9 | 77% | 0.773 | 67% | 0.668 | S | S | * | * | trans | -50.2 | 132.8 | 174.1 | -27.4 | 34.8 | 0 | 0 | 0 | 110.7 | E221 | P219-E221 PolarHBondContact O-N 3.47Š| ||
| 220 | I | 77.4 | Confident | 73 | Confident | 159 Ų | 159 | 127 Ų | 127 | 82% | 0.815 | 65% | 0.654 | S | S | * | * | trans | -69.1 | 101.8 | 179.5 | -60.7 | 169.5 | 0 | 0 | 0 | 107.4 | K218 H222 | K218-I220 PolarHBondContact O-N 2.96Å; I220-H222 PolarHBondContact O-N 2.68Å; I220-H222 VanDerWaalsContact O-N 3.08Å | ||
| 221 | E | 80.8 | Confident | 73 | Confident | 178 Ų | 178 | 133.6 Ų | 133.6 | 83% | 0.832 | 68% | 0.681 | S | S | * | * | trans | -65.9 | 108.2 | 170.3 | -70.3 | -176.8 | 179 | 0 | 0 | 108.9 | P219 Q223 | P219-E221 PolarHBondContact O-N 3.47Å; E221-Q223 PolarHBondContact O-N 2.91Å | ||
| 222 | H | 75.6 | Confident | 73.1 | Confident | 155 Ų | 155 | 125.3 Ų | 125.3 | 72% | 0.718 | 67% | 0.672 | S | S | * | * | trans | -71.6 | 98.2 | 178.8 | -174.6 | 72.3 | 0 | 0 | 0 | 109.8 | I220 L224 | I220-H222 PolarHBondContact O-N 2.68Å; I220-H222 VanDerWaalsContact O-N 3.08Å; H222-L224 PolarHBondContact O-N 3.25Å; H222-L224 VanDerWaalsContact O-N 3.14Å | ||
| 223 | Q | 73.9 | Confident | 73.4 | Confident | 151 Ų | 151 | 121.7 Ų | 121.7 | 71% | 0.706 | 66% | 0.655 | S | S | * | * | trans | -65.3 | 114.2 | 170.4 | -65.2 | -173 | 1.9 | 0 | 0 | 109.3 | E221 R225 | E221-Q223 PolarHBondContact O-N 2.91Å; Q223-R225 PolarHBondContact O-N 2.74Å | ||
| 224 | L | 73.9 | Confident | 73.5 | Confident | 149 Ų | 149 | 118.6 Ų | 118.6 | 78% | 0.78 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 125 | 176.5 | -67.6 | 174.5 | 0 | 0 | 0 | 109.8 | H222 | H222-L224 PolarHBondContact O-N 3.25Å; H222-L224 VanDerWaalsContact O-N 3.14Å |
| 225 | R | 74.3 | Confident | 73.1 | Confident | 119 Ų | 119 | 119.7 Ų | 119.7 | 45% | 0.449 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -63 | 132.3 | 175.9 | 176.5 | 174 | -83.8 | -179.5 | -3.5 | 108.9 | Q223 K227 L229 | Q223-R225 PolarHBondContact O-N 2.74Å; R225-K227 PolarHBondContact O-N 3.4Å; R225-L229 HydrophobicContact CG-CB 4.22Å; R225-L229 HydrophobicContact CG-CD2 4.33Å |
| 226 | P | 76.6 | Confident | 72.6 | Confident | 61 Ų | 61 | 116 Ų | 116 | 40% | 0.396 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 134.5 | 174.1 | 23.3 | -33.4 | 0 | 0 | 0 | 110.4 | G228 L229 | P226-G228 PolarHBondContact O-N 2.9Å; P226-L229 HydrophobicContact CG-CB 4.3Å; P226-L229 HydrophobicContact CG-CD2 4.21Å; P226-L229 PolarHBondContact O-N 2.84Å |
| 227 | K | 78.8 | Confident | 72.4 | Confident | 214 Ų | 214 | 114 Ų | 114 | 93% | 0.93 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | 134.5 | 177.4 | -62.9 | -179.4 | 179.3 | -179.7 | 0 | 109.2 | R225 | R225-K227 PolarHBondContact O-N 3.4Š|
| 228 | G | 75 | Confident | 71.8 | Confident | 89 Ų | 89 | 112.9 Ų | 112.9 | 92% | 0.918 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93 | -3.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | P226 G230 | P226-G228 PolarHBondContact O-N 2.9Å; G228-G230 PolarHBondContact O-N 3.43Å |
| 229 | L | 77.4 | Confident | 71.1 | Confident | 35 Ų | 35 | 112.5 Ų | 112.5 | 18% | 0.183 | 62% | 0.62 | C | S | . | * | trans | -82.3 | 113 | 170.6 | -170.1 | 64.3 | 0 | 0 | 0 | 110 | R225 P226 A233 I238 | R225-L229 HydrophobicContact CG-CB 4.22Å; R225-L229 HydrophobicContact CG-CD2 4.33Å; P226-L229 HydrophobicContact CG-CB 4.3Å; P226-L229 HydrophobicContact CG-CD2 4.21Å; P226-L229 PolarHBondContact O-N 2.84Å; L229-A233 HydrophobicContact CD1-CB 3.61Å; L229-A233 WeakPolarHBondContact CD2-O 3.33Å; L229-A233 HydrophobicContact CG-CB 4.06Å; L229-I238 HydrophobicContact CD1-CD1 3.45Å; L229-I238 VanDerWaalsContact CD1-CD1 3.45Å | ||
| 230 | G | 78.6 | Confident | 70.3 | Confident | 45 Ų | 45 | 113.2 Ų | 113.2 | 46% | 0.464 | 62% | 0.617 | S | S | . | * | trans | -56.3 | 148.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G228 G232 A233 | G228-G230 PolarHBondContact O-N 3.43Å; G230-G232 PolarHBondContact O-N 2.85Å; G230-A233 PolarHBondContact O-N 3.32Å; G230-A233 VanDerWaalsContact O-N 3.09Å | ||
| 231 | L | 69.1 | Low | 69.4 | Low | 172 Ų | 172 | 112.5 Ų | 112.5 | 90% | 0.901 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | 117.1 | 170.8 | -73.1 | 155.8 | 0 | 0 | 0 | 108.7 | ||
| 232 | G | 68.2 | Low | 68.3 | Low | 75 Ų | 75 | 110 Ų | 110 | 77% | 0.773 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 106.3 | -7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | G230 | G230-G232 PolarHBondContact O-N 2.85Š|
| 233 | A | 67.4 | Low | 67.1 | Low | 39 Ų | 39 | 108 Ų | 108 | 32% | 0.322 | 60% | 0.603 | S | S | . | * | trans | -93.3 | 109 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110 | L229 G230 | L229-A233 HydrophobicContact CD1-CB 3.61Å; L229-A233 WeakPolarHBondContact CD2-O 3.33Å; L229-A233 HydrophobicContact CG-CB 4.06Å; G230-A233 PolarHBondContact O-N 3.32Å; G230-A233 VanDerWaalsContact O-N 3.09Å | ||
| 234 | D | 63.4 | Low | 65.9 | Low | 99 Ų | 99 | 106 Ų | 106 | 53% | 0.529 | 61% | 0.606 | S | S | . | * | trans | -78.9 | 137.5 | 173.5 | -74.7 | -28.5 | 0 | 0 | 0 | 110.7 | S236 A237 | D234-S236 PolarHBondContact O-N 2.81Å; D234-S236 VanDerWaalsContact O-N 3.11Å; D234-A237 PolarHBondContact O-N 3.06Å | ||
| 235 | R | 61.6 | Low | 64.7 | Low | 152 Ų | 152 | 107 Ų | 107 | 57% | 0.574 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -60.7 | -21.5 | 176.9 | -160.2 | 176.3 | -178.2 | -179.7 | 1.1 | 111.9 | I238 K239 | R235-I238 PolarHBondContact O-N 3.41Å; R235-K239 PolarHBondContact O-N 3.34Å |
| 236 | S | 62.3 | Low | 63.2 | Low | 71 Ų | 71 | 112.3 Ų | 112.3 | 50% | 0.497 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.5 | -46.5 | 172.6 | -13.5 | 0 | 0 | 0 | 0 | 111.5 | D234 I238 K239 D240 | D234-S236 PolarHBondContact O-N 2.81Å; D234-S236 VanDerWaalsContact O-N 3.11Å; S236-I238 PolarHBondContact O-N 3.5Å; S236-K239 WeakPolarHBondContact O-CB 3.41Å; S236-K239 PolarHBondContact O-N 2.82Å; S236-K239 VanDerWaalsContact O-N 3.08Å; S236-D240 VanDerWaalsContact O-CG 3.26Å; S236-D240 PolarHBondContact O-N 2.84Å |
| 237 | A | 61.5 | Low | 62.1 | Low | 45 Ų | 45 | 117.7 Ų | 117.7 | 37% | 0.372 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -66.4 | -28 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D234 D240 L241 | D234-A237 PolarHBondContact O-N 3.06Å; A237-D240 PolarHBondContact O-N 3.11Å; A237-L241 WeakPolarHBondContact O-CB 3.27Å; A237-L241 WeakPolarHBondContact O-CD1 3.31Å; A237-L241 WeakPolarHBondContact O-CG 3.48Å; A237-L241 PolarHBondContact O-N 3.08Å |
| 238 | I | 58.3 | Low | 61 | Low | 82 Ų | 82 | 118 Ų | 118 | 42% | 0.421 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -73.2 | -38.1 | 173.3 | -61.2 | 173.7 | 0 | 0 | 0 | 111 | L229 R235 S236 D240 L241 E242 | L229-I238 HydrophobicContact CD1-CD1 3.45Å; L229-I238 VanDerWaalsContact CD1-CD1 3.45Å; R235-I238 PolarHBondContact O-N 3.41Å; S236-I238 PolarHBondContact O-N 3.5Å; I238-D240 PolarHBondContact O-N 3Å; I238-L241 CarbonylContact O-C 3.6Å; I238-L241 PolarHBondContact O-N 2.7Å; I238-E242 WeakPolarHBondContact O-CG 3.44Å; I238-E242 PolarHBondContact O-N 3.29Å |
| 239 | K | 61 | Low | 60.2 | Low | 154 Ų | 154 | 119.2 Ų | 119.2 | 67% | 0.67 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62 | -32.4 | 170.8 | -83.2 | -176.8 | 171.2 | -176 | 0 | 112.3 | R235 S236 | R235-K239 PolarHBondContact O-N 3.34Å; S236-K239 WeakPolarHBondContact O-CB 3.41Å; S236-K239 PolarHBondContact O-N 2.82Å; S236-K239 VanDerWaalsContact O-N 3.08Å |
| 240 | D | 60.7 | Low | 59 | Low | 134 Ų | 134 | 121.8 Ų | 121.8 | 72% | 0.717 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77.2 | -23.3 | 176.7 | -59.4 | -33.2 | 0 | 0 | 0 | 112.7 | S236 A237 I238 | S236-D240 VanDerWaalsContact O-CG 3.26Å; S236-D240 PolarHBondContact O-N 2.84Å; A237-D240 PolarHBondContact O-N 3.11Å; I238-D240 PolarHBondContact O-N 3Å |
| 241 | L | 59.3 | Low | 57.9 | Low | 144 Ų | 144 | 127.6 Ų | 127.6 | 75% | 0.754 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -97.5 | -13.5 | 177.5 | -71.2 | 169.9 | 0 | 0 | 0 | 114 | A237 I238 | A237-L241 WeakPolarHBondContact O-CB 3.27Å; A237-L241 WeakPolarHBondContact O-CD1 3.31Å; A237-L241 WeakPolarHBondContact O-CG 3.48Å; A237-L241 PolarHBondContact O-N 3.08Å; I238-L241 CarbonylContact O-C 3.6Å; I238-L241 PolarHBondContact O-N 2.7Å |
| 242 | E | 57.1 | Low | 56.9 | Low | 125 Ų | 125 | 126.2 Ų | 126.2 | 58% | 0.584 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -55.1 | 129.7 | 162.7 | -78.7 | -168.1 | 140.1 | 0 | 0 | 106.6 | I238 S244 | I238-E242 WeakPolarHBondContact O-CG 3.44Å; I238-E242 PolarHBondContact O-N 3.29Å; E242-S244 VanDerWaalsContact C-N 3.27Å; E242-S244 PolarHBondContact O-N 3.16Å |
| 243 | P | 49.7 | Very low | 56.4 | Low | 113 Ų | 113 | 126.6 Ų | 126.6 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | trans | -61.9 | 99.9 | -179.4 | 25.5 | -32.6 | 0 | 0 | 0 | 106.8 | K245 | P243-K245 PolarHBondContact O-N 2.87Š| ||
| 244 | S | 49.6 | Very low | 56 | Low | 108 Ų | 108 | 131.9 Ų | 131.9 | 76% | 0.755 | 69% | 0.685 | S | S | * | * | trans | -62.2 | 76.2 | 157.1 | -176.6 | 0 | 0 | 0 | 0 | 105.4 | E242 R246 | E242-S244 VanDerWaalsContact C-N 3.27Å; E242-S244 PolarHBondContact O-N 3.16Å; S244-R246 PolarHBondContact O-N 3.05Å | ||
| 245 | K | 49.5 | Very low | 55.3 | Low | 171 Ų | 171 | 136.1 Ų | 136.1 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | trans | -53.8 | 101.8 | 150.4 | -73.6 | -174.6 | -179.6 | -177.4 | 0 | 101.9 | P243 Q247 | P243-K245 PolarHBondContact O-N 2.87Å; K245-Q247 PolarHBondContact O-N 3.37Å | ||
| 246 | R | 42.6 | Very low | 54.6 | Low | 231 Ų | 231 | 137.3 Ų | 137.3 | 87% | 0.872 | 71% | 0.714 | S | S | * | * | trans | -48.2 | 94.6 | 166.4 | -68 | -179.5 | 177.9 | -173.6 | -1.4 | 105.1 | S244 R248 | S244-R246 PolarHBondContact O-N 3.05Å; R246-R248 PolarHBondContact O-N 2.81Å | ||
| 247 | Q | 53.5 | Low | 54 | Low | 173 Ų | 173 | 138.5 Ų | 138.5 | 81% | 0.808 | 72% | 0.72 | S | S | * | * | trans | -67.4 | 113 | 177.2 | -71 | -151.1 | 21.5 | 0 | 0 | 103.2 | K245 | K245-Q247 PolarHBondContact O-N 3.37Š| ||
| 248 | R | 55.7 | Low | 53.2 | Low | 221 Ų | 221 | 145.2 Ų | 145.2 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 138.5 | 167.3 | -75.5 | 176.9 | 174.9 | 164.5 | -2.6 | 106.3 | R246 P250 | R246-R248 PolarHBondContact O-N 2.81Å; R248-P250 VanDerWaalsContact O-N 3.11Å |
| 249 | P | 56.7 | Low | 52.6 | Low | 114 Ų | 114 | 150.5 Ų | 150.5 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 126.6 | 172.6 | -8.9 | 10.2 | 0 | 0 | 0 | 107.9 | K251 | P249-K251 PolarHBondContact O-N 3.36Š|
| 250 | P | 54 | Low | 52.5 | Low | 89 Ų | 89 | 147.5 Ų | 147.5 | 58% | 0.578 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -58 | 131 | -175.3 | 21.8 | -31.2 | 0 | 0 | 0 | 108.3 | R248 | R248-P250 VanDerWaalsContact O-N 3.11Š|
| 251 | K | 54.9 | Low | 52.5 | Low | 167 Ų | 167 | 150.1 Ų | 150.1 | 73% | 0.726 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 146.1 | 171.1 | -69.8 | 179.1 | -179.6 | 179.5 | 0 | 107.8 | P249 G253 E254 | P249-K251 PolarHBondContact O-N 3.36Å; K251-G253 PolarHBondContact O-N 3.08Å; K251-E254 PolarHBondContact O-N 2.81Å |
| 252 | P | 47.4 | Very low | 53.1 | Low | 144 Ų | 144 | 147.5 Ų | 147.5 | 94% | 0.935 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | 107.3 | 175 | -22.3 | 31.9 | 0 | 0 | 0 | 109.8 | ||
| 253 | G | 58.8 | Low | 53.8 | Low | 83 Ų | 83 | 144.4 Ų | 144.4 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127 | -5.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | K251 | K251-G253 PolarHBondContact O-N 3.08Š|
| 254 | E | 57.9 | Low | 55.1 | Low | 149 Ų | 149 | 141.6 Ų | 141.6 | 70% | 0.696 | 72% | 0.72 | S | S | * | * | trans | -88.9 | 112.7 | 177.8 | -117.7 | 176.4 | 170.5 | 0 | 0 | 112.1 | K251 Q256 | K251-E254 PolarHBondContact O-N 2.81Å; E254-Q256 PolarHBondContact O-N 2.99Å | ||
| 255 | E | 50.1 | Low | 56.6 | Low | 189 Ų | 189 | 138.4 Ų | 138.4 | 88% | 0.883 | 70% | 0.701 | S | S | * | * | trans | -66.1 | 124.7 | 173.3 | -69.9 | -173.5 | 161.1 | 0 | 0 | 110.9 | ||||
| 256 | Q | 46.3 | Very low | 58.2 | Low | 176 Ų | 176 | 134.9 Ų | 134.9 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | trans | -57.2 | 135.1 | 174.3 | -76.9 | -177.7 | -11.7 | 0 | 0 | 110.9 | E254 K258 | E254-Q256 PolarHBondContact O-N 2.99Å; Q256-K258 PolarHBondContact O-N 2.9Å | ||
| 257 | P | 48.6 | Very low | 60.1 | Low | 96 Ų | 96 | 126.4 Ų | 126.4 | 62% | 0.623 | 68% | 0.679 | S | S | * | * | trans | -68.4 | 99.5 | 170.5 | 28.2 | -31.6 | 0 | 0 | 0 | 108.7 | Q259 | P257-Q259 PolarHBondContact O-N 3.49Š| ||
| 258 | K | 44.6 | Very low | 61.8 | Low | 186 Ų | 186 | 118.9 Ų | 118.9 | 81% | 0.809 | 65% | 0.648 | S | S | * | * | trans | -49.6 | 112 | 161.3 | -100.1 | 177 | 175 | 173.7 | 0 | 107.7 | Q256 E260 | Q256-K258 PolarHBondContact O-N 2.9Å; K258-E260 VanDerWaalsContact C-N 3.29Å; K258-E260 PolarHBondContact O-N 3.5Å | ||
| 259 | Q | 47.7 | Very low | 63.4 | Low | 194 Ų | 194 | 109 Ų | 109 | 91% | 0.907 | 61% | 0.613 | S | S | * | * | trans | -67 | 96.6 | 164.7 | -75.3 | 177.6 | -4.4 | 0 | 0 | 105.8 | P257 E261 | P257-Q259 PolarHBondContact O-N 3.49Å; Q259-E261 PolarHBondContact O-N 2.75Å | ||
| 260 | E | 58.9 | Low | 65.1 | Low | 90 Ų | 90 | 103.6 Ų | 103.6 | 42% | 0.421 | 58% | 0.578 | S | S | . | * | trans | -67 | 118.2 | 171.3 | -72.4 | -179.3 | 159.1 | 0 | 0 | 107.5 | K258 L262 R317 | K258-E260 VanDerWaalsContact C-N 3.29Å; K258-E260 PolarHBondContact O-N 3.5Å; E260-L262 PolarHBondContact O-N 3.02Å; E260-R317 VanDerWaalsContact OE2-CB 3.3Å; E260-R317 WeakPolarHBondContact OE2-CB 3.33Å; E260-R317 PolarHBondContact OE2-N 3.15Å | ||
| 261 | E | 59.7 | Low | 66.9 | Low | 190 Ų | 190 | 100.8 Ų | 100.8 | 89% | 0.888 | 56% | 0.558 | S | S | * | * | trans | -62.8 | 108 | 175.9 | -164 | 169.2 | -169.9 | 0 | 0 | 108.7 | Q259 A263 | Q259-E261 PolarHBondContact O-N 2.75Å; E261-A263 PolarHBondContact O-N 2.98Å | ||
| 262 | L | 71.6 | Confident | 68.5 | Low | 88 Ų | 88 | 92.9 Ų | 92.9 | 46% | 0.461 | 52% | 0.524 | S | S | . | . | trans | -79 | 91.4 | -175.1 | -59.4 | 177.6 | 0 | 0 | 0 | 109.4 | E260 L314 | E260-L262 PolarHBondContact O-N 3.02Å; L262-L314 HydrophobicContact CB-CB 4.26Å | ||
| 263 | A | 72.3 | Confident | 70.3 | Confident | 60 Ų | 60 | 87.9 Ų | 87.9 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | trans | -92.7 | 144.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E261 A265 | E261-A263 PolarHBondContact O-N 2.98Å; A263-A265 HydrophobicContact CB-CB 4.46Å; A263-A265 PolarHBondContact O-N 3.45Å | ||
| 264 | M | 78 | Confident | 71.3 | Confident | 54 Ų | 54 | 87 Ų | 87 | 27% | 0.266 | 48% | 0.479 | S | S | . | . | trans | -80.9 | 61.9 | 174.7 | -146.2 | 168.1 | -158.3 | 0 | 0 | 110.3 | I284 V294 Q309 V312 L314 | M264-I284 HydrophobicContact CG-CD1 4.1Å; M264-V294 HydrophobicContact CE-CG2 4.23Å; M264-Q309 HydrophobicContact CE-CB 4.47Å; M264-Q309 HydrophobicContact CE-CG 3.49Å; M264-Q309 VanDerWaalsContact CE-CG 3.49Å; M264-Q309 HydrophobicContact SD-CG 3.51Å; M264-Q309 VanDerWaalsContact SD-CG 3.51Å; M264-Q309 PolarHBondContact SD-NE2 2.93Å; M264-V312 HydrophobicContact CE-CB 4.45Å; M264-L314 HydrophobicContact CB-CD1 4.11Å; M264-L314 HydrophobicContact CG-CD1 4.31Å; M264-L314 HydrophobicContact CG-CD2 4.41Å | ||
| 265 | A | 81.2 | Confident | 72.5 | Confident | 42 Ų | 42 | 82.8 Ų | 82.8 | 35% | 0.347 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -112.5 | 161.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A263 G267 G268 | A263-A265 HydrophobicContact CB-CB 4.46Å; A263-A265 PolarHBondContact O-N 3.45Å; A265-G267 PolarHBondContact O-N 3.44Å; A265-G268 PolarHBondContact O-N 3.2Å |
| 266 | P | 82.7 | Confident | 74.1 | Confident | 96 Ų | 96 | 78.7 Ų | 78.7 | 62% | 0.623 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 130.5 | 168.6 | -23.4 | 33.2 | 0 | 0 | 0 | 110.6 | ||
| 267 | G | 82.1 | Confident | 75.9 | Confident | 53 Ų | 53 | 72.5 Ų | 72.5 | 55% | 0.546 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | -5.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A265 I284 | A265-G267 PolarHBondContact O-N 3.44Å; G267-I284 PolarHBondContact N-O 3.49Å |
| 268 | G | 88.3 | Confident | 77.6 | Confident | 15 Ų | 15 | 73.3 Ų | 73.3 | 16% | 0.155 | 44% | 0.438 | C | S | . | . | trans | -62.9 | 140.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A265 K283 I284 | A265-G268 PolarHBondContact O-N 3.2Å; G268-K283 WeakPolarHBondContact O-CA 3.33Å; G268-I284 PolarHBondContact O-N 2.76Å | ||
| 269 | C | 90.6 | Very high | 79.6 | Confident | 15 Ų | 15 | 67.7 Ų | 67.7 | 10% | 0.101 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 134.2 | 176.1 | -63.9 | 0 | 0 | 0 | 0 | 110 | V315 Y320 | C269-V315 WeakPolarHBondContact CB-O 3.14Å; C269-V315 PolarHBondContact O-N 3.4Å; C269-V315 VanDerWaalsContact O-O 3.09Å; C269-Y320 HydrophobicContact CB-CD2 3.81Å; C269-Y320 HydrophobicContact CB-CG 3.83Å |
| 270 | V | 91.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 154 | -173.4 | -69 | 0 | 0 | 0 | 0 | 113.1 | Y281 G282 I284 V296 V312 K313 L314 | V270-Y281 CarbonylContact O-C 3.56Å; V270-Y281 WeakPolarHBondContact O-CA 3.48Å; V270-G282 VanDerWaalsContact CG2-O 3.32Å; V270-G282 WeakPolarHBondContact CG2-O 3.49Å; V270-G282 PolarHBondContact N-O 2.9Å; V270-G282 PolarHBondContact O-N 2.75Å; V270-I284 HydrophobicContact CG1-CD1 3.6Å; V270-I284 HydrophobicContact CG1-CG1 3.68Å; V270-I284 HydrophobicContact CG2-CG1 4.06Å; V270-V296 HydrophobicContact CG2-CB 4.45Å; V270-V296 HydrophobicContact CG2-CG1 3.58Å; V270-V296 HydrophobicContact CG2-CG2 3.93Å; V270-V312 HydrophobicContact CB-CG1 3.34Å; V270-V312 HydrophobicContact CG1-CG1 3.52Å; V270-V312 HydrophobicContact CG2-CG1 3.79Å; V270-K313 CarbonylContact C-O 3.6Å; V270-K313 VanDerWaalsContact CA-O 3.32Å; V270-K313 WeakPolarHBondContact CA-O 3.35Å; V270-L314 HydrophobicContact CG1-CD2 3.92Å |
| 271 | L | 91.3 | Very high | 83.1 | Confident | 30 Ų | 30 | 56 Ų | 56 | 16% | 0.157 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 130.2 | 171 | 175.9 | 65.8 | 0 | 0 | 0 | 109.3 | G273 Y281 K313 V315 | L271-G273 PolarHBondContact O-N 3.14Å; L271-Y281 HydrophobicContact CB-CD1 4.03Å; L271-Y281 HydrophobicContact CB-CE1 3.91Å; L271-Y281 HydrophobicContact CD1-CD1 4.04Å; L271-Y281 HydrophobicContact CD1-CD2 3.95Å; L271-Y281 HydrophobicContact CD1-CE1 3.93Å; L271-Y281 HydrophobicContact CD1-CE2 3.82Å; L271-Y281 HydrophobicContact CD1-CG 4.06Å; L271-Y281 HydrophobicContact CD2-CE1 4.38Å; L271-Y281 HydrophobicContact CG-CE1 4.3Å; L271-K313 PolarHBondContact N-O 3.28Å; L271-K313 PolarHBondContact O-N 3.46Å; L271-V315 HydrophobicContact CB-CG2 3.7Å |
| 272 | V | 90.1 | Very high | 84.6 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 117.1 | 179.1 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | S274 H277 D279 L280 L298 L307 | V272-S274 VanDerWaalsContact CG1-O 3.23Å; V272-S274 WeakPolarHBondContact CG1-O 3.41Å; V272-H277 VanDerWaalsContact CB-O 3.24Å; V272-H277 WeakPolarHBondContact CB-O 3.46Å; V272-H277 HydrophobicContact CG1-CB 4.46Å; V272-H277 WeakPolarHBondContact CG1-O 3.07Å; V272-D279 PolarHBondContact O-N 3.42Å; V272-L280 WeakPolarHBondContact CG2-O 3.41Å; V272-L280 PolarHBondContact N-O 2.86Å; V272-L298 HydrophobicContact CG2-CD2 4.1Å; V272-L307 HydrophobicContact CB-CD1 4.18Å; V272-L307 HydrophobicContact CG1-CD1 3.8Å; V272-L307 HydrophobicContact CG1-CD2 4.33Å; V272-L307 HydrophobicContact CG2-CD1 3.31Å |
| 273 | G | 83.7 | Confident | 85.6 | Confident | 39 Ų | 39 | 47.7 Ų | 47.7 | 40% | 0.402 | 32% | 0.32 | S | S | . | . | trans | -90 | -22.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L271 K278 G311 | L271-G273 PolarHBondContact O-N 3.14Å; G273-K278 WeakPolarHBondContact O-CE 3.5Å; G273-K278 WeakPolarHBondContact O-CG 3.46Å; G273-G311 PolarHBondContact N-O 3.21Å | ||
| 274 | S | 80.1 | Confident | 86.6 | Confident | 65 Ų | 65 | 45 Ų | 45 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -140.3 | 153.8 | -175.1 | 63.9 | 0 | 0 | 0 | 0 | 113.2 | V272 G311 | V272-S274 VanDerWaalsContact CG1-O 3.23Å; V272-S274 WeakPolarHBondContact CG1-O 3.41Å; S274-G311 PolarHBondContact N-O 3.21Å; S274-G311 VanDerWaalsContact OG-CA 3.26Å; S274-G311 WeakPolarHBondContact OG-CA 3.38Å |
| 275 | G | 84.1 | Confident | 87.1 | Confident | 60 Ų | 60 | 47.9 Ų | 47.9 | 62% | 0.619 | 31% | 0.31 | S | S | * | . | S | Bend | trans | 97.7 | -168.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | H277 K278 | G275-H277 PolarHBondContact O-N 3.22Å; G275-K278 WeakPolarHBondContact O-CB 3.25Å; G275-K278 PolarHBondContact O-N 3.09Å |
| 276 | A | 83.8 | Confident | 87.5 | Confident | 102 Ų | 102 | 47 Ų | 47 | 84% | 0.843 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -22.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 277 | H | 84.4 | Confident | 87.9 | Confident | 46 Ų | 46 | 45.2 Ų | 45.2 | 21% | 0.213 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 29.6 | -178.7 | -64.7 | -69.6 | 0 | 0 | 0 | 112.1 | V272 G275 L280 L298 | V272-H277 VanDerWaalsContact CB-O 3.24Å; V272-H277 WeakPolarHBondContact CB-O 3.46Å; V272-H277 HydrophobicContact CG1-CB 4.46Å; V272-H277 WeakPolarHBondContact CG1-O 3.07Å; G275-H277 PolarHBondContact O-N 3.22Å; H277-L280 HydrophobicContact CB-CD1 3.91Å; H277-L280 WeakPolarHBondContact O-CB 3.42Å; H277-L280 PolarHBondContact O-N 2.66Å; H277-L298 HydrophobicContact CB-CD1 3.99Å; H277-L298 HydrophobicContact CB-CD2 4.48Å; H277-L298 WeakPolarHBondContact ND1-CD1 3.31Å |
| 278 | K | 84 | Confident | 88.2 | Confident | 113 Ų | 113 | 45.5 Ų | 45.5 | 49% | 0.491 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 139.2 | 179.1 | -177.6 | 175.4 | 179.7 | 179 | 0 | 111.8 | G273 G275 L280 | G273-K278 WeakPolarHBondContact O-CE 3.5Å; G273-K278 WeakPolarHBondContact O-CG 3.46Å; G275-K278 WeakPolarHBondContact O-CB 3.25Å; G275-K278 PolarHBondContact O-N 3.09Å; K278-L280 PolarHBondContact O-N 3.17Å |
| 279 | D | 86.3 | Confident | 87.9 | Confident | 68 Ų | 68 | 48.9 Ų | 48.9 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 12.3 | -179.5 | -49.9 | -42.2 | 0 | 0 | 0 | 114.6 | V272 L330 | V272-D279 PolarHBondContact O-N 3.42Å; D279-L330 HydrophobicContact CB-CD2 4.29Å |
| 280 | L | 88.3 | Confident | 87.6 | Confident | 24 Ų | 24 | 55.4 Ų | 55.4 | 13% | 0.126 | 34% | 0.341 | C | S | . | . | trans | -92.2 | 138.3 | 172.6 | -63 | 175.3 | 0 | 0 | 0 | 111 | V272 H277 K278 L298 I300 L330 | V272-L280 WeakPolarHBondContact CG2-O 3.41Å; V272-L280 PolarHBondContact N-O 2.86Å; H277-L280 HydrophobicContact CB-CD1 3.91Å; H277-L280 WeakPolarHBondContact O-CB 3.42Å; H277-L280 PolarHBondContact O-N 2.66Å; K278-L280 PolarHBondContact O-N 3.17Å; L280-L298 HydrophobicContact CB-CD2 4.07Å; L280-L298 HydrophobicContact CD1-CD1 4.2Å; L280-I300 HydrophobicContact CD2-CB 4.24Å; L280-I300 HydrophobicContact CD2-CD1 3.8Å; L280-I300 HydrophobicContact CD2-CG1 4.35Å; L280-L330 HydrophobicContact CD2-CD1 3.73Å; L280-L330 HydrophobicContact CD2-CD2 4.44Å | ||
| 281 | Y | 91.1 | Very high | 87.3 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 6% | 0.059 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 148.3 | 173.2 | -70.4 | -89.1 | 0 | 0 | 0 | 110.7 | V270 L271 A299 V315 E319 Y320 | V270-Y281 CarbonylContact O-C 3.56Å; V270-Y281 WeakPolarHBondContact O-CA 3.48Å; L271-Y281 HydrophobicContact CB-CD1 4.03Å; L271-Y281 HydrophobicContact CB-CE1 3.91Å; L271-Y281 HydrophobicContact CD1-CD1 4.04Å; L271-Y281 HydrophobicContact CD1-CD2 3.95Å; L271-Y281 HydrophobicContact CD1-CE1 3.93Å; L271-Y281 HydrophobicContact CD1-CE2 3.82Å; L271-Y281 HydrophobicContact CD1-CG 4.06Å; L271-Y281 HydrophobicContact CD2-CE1 4.38Å; L271-Y281 HydrophobicContact CG-CE1 4.3Å; Y281-A299 WeakPolarHBondContact O-CB 3.45Å; Y281-A299 PolarHBondContact O-N 2.93Å; Y281-V315 HydrophobicContact CD1-CG1 4.48Å; Y281-V315 HydrophobicContact CE1-CB 4.41Å; Y281-V315 HydrophobicContact CE1-CG1 3.97Å; Y281-V315 HydrophobicContact CE1-CG2 4.02Å; Y281-E319 HydrophobicContact CE1-CG 4.45Å; Y281-E319 PolarHBondContact OH-OE1 3.11Å; Y281-Y320 HydrophobicContact CD1-CD2 4.16Å; Y281-Y320 HydrophobicContact CG-CD2 4.41Å |
| 282 | G | 91.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 173.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V270 K297 Y320 | V270-G282 VanDerWaalsContact CG2-O 3.32Å; V270-G282 WeakPolarHBondContact CG2-O 3.49Å; V270-G282 PolarHBondContact N-O 2.9Å; V270-G282 PolarHBondContact O-N 2.75Å; G282-K297 CarbonylContact C-O 3.56Å; G282-K297 WeakPolarHBondContact CA-O 3.28Å; G282-Y320 WeakPolarHBondContact O-CE2 3.4Å |
| 283 | K | 93.1 | Very high | 87.1 | Confident | 104 Ų | 104 | 66.9 Ų | 66.9 | 45% | 0.452 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 137 | 172.7 | -72.2 | -179 | 179 | -177.5 | 0 | 110 | G268 E285 V296 K297 Y320 | G268-K283 WeakPolarHBondContact O-CA 3.33Å; K283-E285 PolarHBondContact O-N 2.83Å; K283-V296 CarbonylContact O-C 3.58Å; K283-V296 WeakPolarHBondContact O-CA 3.42Å; K283-K297 PolarHBondContact N-O 2.84Å; K283-K297 PolarHBondContact O-N 2.91Å; K283-Y320 HydrophobicContact CG-CE1 4.31Å; K283-Y320 HydrophobicContact CG-CE2 4.31Å |
| 284 | I | 92.4 | Very high | 87.5 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 125.4 | 174.3 | -58.6 | 172.1 | 0 | 0 | 0 | 108.4 | M264 G267 G268 V270 V287 V294 L314 | M264-I284 HydrophobicContact CG-CD1 4.1Å; G267-I284 PolarHBondContact N-O 3.49Å; G268-I284 PolarHBondContact O-N 2.76Å; V270-I284 HydrophobicContact CG1-CD1 3.6Å; V270-I284 HydrophobicContact CG1-CG1 3.68Å; V270-I284 HydrophobicContact CG2-CG1 4.06Å; I284-V287 HydrophobicContact CG2-CG2 3.76Å; I284-V294 HydrophobicContact CB-CG1 4.3Å; I284-V294 HydrophobicContact CD1-CG1 4.26Å; I284-V294 HydrophobicContact CG1-CG1 3.88Å; I284-V294 HydrophobicContact CG2-CG1 3.64Å; I284-L314 HydrophobicContact CD1-CD2 4.42Å |
| 285 | E | 90.2 | Very high | 88.1 | Confident | 114 Ų | 114 | 64.2 Ų | 64.2 | 53% | 0.533 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -35.3 | 173.2 | -167.1 | 169.8 | -172.5 | 0 | 0 | 110.6 | K283 V295 T304 | K283-E285 PolarHBondContact O-N 2.83Å; E285-V295 HydrophobicContact CB-CG1 4.43Å; E285-V295 PolarHBondContact N-O 3.3Å; E285-T304 VanDerWaalsContact OE2-CG2 3.27Å; E285-T304 WeakPolarHBondContact OE2-CG2 3.39Å |
| 286 | G | 89.2 | Confident | 88.5 | Confident | 23 Ų | 23 | 61.4 Ų | 61.4 | 24% | 0.237 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 154 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V295 | G286-V295 PolarHBondContact N-O 2.75Å; G286-V295 PolarHBondContact O-N 2.83Å |
| 287 | V | 90.5 | Very high | 88.9 | Confident | 58 Ų | 58 | 61.6 Ų | 61.6 | 35% | 0.352 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 123.7 | 175.6 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | I284 V294 | I284-V287 HydrophobicContact CG2-CG2 3.76Å; V287-V294 HydrophobicContact CG2-CG1 4.34Å |
| 288 | D | 88.6 | Confident | 89.2 | Confident | 60 Ų | 60 | 59.6 Ų | 59.6 | 32% | 0.321 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 101.9 | 171.5 | 179.7 | -5.4 | 0 | 0 | 0 | 107.7 | D290 N291 A292 R293 | D288-D290 VanDerWaalsContact C-N 3.3Å; D288-D290 PolarHBondContact OD1-N 3.08Å; D288-D290 VanDerWaalsContact OD1-N 3.17Å; D288-N291 PolarHBondContact OD1-N 3.16Å; D288-N291 WeakPolarHBondContact OD2-CB 3.35Å; D288-N291 PolarHBondContact OD2-ND2 3.38Å; D288-A292 PolarHBondContact O-N 3.21Å; D288-R293 HydrophobicContact CB-CB 4.37Å; D288-R293 WeakPolarHBondContact CB-O 3.34Å; D288-R293 PolarHBondContact N-O 2.82Å; D288-R293 PolarHBondContact O-N 2.93Å |
| 289 | A | 82.6 | Confident | 89.4 | Confident | 85 Ų | 85 | 55.9 Ų | 55.9 | 70% | 0.702 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -29.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 290 | D | 83.9 | Confident | 89.2 | Confident | 153 Ų | 153 | 55 Ų | 55 | 82% | 0.818 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -37.9 | -172.9 | -62.5 | -35.5 | 0 | 0 | 0 | 111.4 | D288 | D288-D290 VanDerWaalsContact C-N 3.3Å; D288-D290 PolarHBondContact OD1-N 3.08Å; D288-D290 VanDerWaalsContact OD1-N 3.17Å |
| 291 | N | 84.2 | Confident | 88.8 | Confident | 104 Ų | 104 | 57.4 Ų | 57.4 | 56% | 0.556 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 4.7 | -178.7 | -63.2 | -63 | 0 | 0 | 0 | 114.3 | D288 R293 | D288-N291 PolarHBondContact OD1-N 3.16Å; D288-N291 WeakPolarHBondContact OD2-CB 3.35Å; D288-N291 PolarHBondContact OD2-ND2 3.38Å; N291-R293 HydrophobicContact CB-CG 4.27Å; N291-R293 PolarHBondContact O-N 3.26Å |
| 292 | A | 87.6 | Confident | 88.5 | Confident | 22 Ų | 22 | 58.6 Ų | 58.6 | 18% | 0.182 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 44.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D288 Q309 Y310 | D288-A292 PolarHBondContact O-N 3.21Å; A292-Q309 HydrophobicContact CB-CB 4.39Å; A292-Q309 WeakPolarHBondContact O-CB 3.49Å; A292-Q309 PolarHBondContact O-N 2.83Å; A292-Y310 HydrophobicContact CB-CE2 4.12Å |
| 293 | R | 89.8 | Confident | 88.4 | Confident | 145 Ų | 145 | 65.1 Ų | 65.1 | 55% | 0.547 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 148.9 | -179.4 | -74.3 | 177.3 | -175.6 | -167.4 | 2 | 110.4 | D288 N291 T306 L307 | D288-R293 HydrophobicContact CB-CB 4.37Å; D288-R293 WeakPolarHBondContact CB-O 3.34Å; D288-R293 PolarHBondContact N-O 2.82Å; D288-R293 PolarHBondContact O-N 2.93Å; N291-R293 HydrophobicContact CB-CG 4.27Å; N291-R293 PolarHBondContact O-N 3.26Å; R293-T306 HydrophobicContact CB-CG2 4.05Å; R293-T306 HydrophobicContact CG-CG2 4.39Å; R293-L307 CarbonylContact C-O 3.53Å; R293-L307 WeakPolarHBondContact CA-O 3.43Å |
| 294 | V | 92.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 127.3 | -178.2 | -172.9 | 0 | 0 | 0 | 0 | 108.2 | M264 I284 V287 V296 L307 Q309 | M264-V294 HydrophobicContact CE-CG2 4.23Å; I284-V294 HydrophobicContact CB-CG1 4.3Å; I284-V294 HydrophobicContact CD1-CG1 4.26Å; I284-V294 HydrophobicContact CG1-CG1 3.88Å; I284-V294 HydrophobicContact CG2-CG1 3.64Å; V287-V294 HydrophobicContact CG2-CG1 4.34Å; V294-V296 HydrophobicContact CB-CG2 4.32Å; V294-V296 HydrophobicContact CG1-CG2 3.75Å; V294-L307 PolarHBondContact N-O 2.93Å; V294-L307 PolarHBondContact O-N 2.97Å; V294-Q309 HydrophobicContact CG2-CB 4.14Å; V294-Q309 HydrophobicContact CG2-CG 4.3Å |
| 295 | V | 92.1 | Very high | 88.2 | Confident | 49 Ų | 49 | 64.7 Ų | 64.7 | 30% | 0.297 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 115.5 | 173.5 | -176.5 | 0 | 0 | 0 | 0 | 107.5 | E285 G286 | E285-V295 HydrophobicContact CB-CG1 4.43Å; E285-V295 PolarHBondContact N-O 3.3Å; G286-V295 PolarHBondContact N-O 2.75Å; G286-V295 PolarHBondContact O-N 2.83Å |
| 296 | V | 92.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 127.2 | -175.3 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | V270 K283 V294 V305 L307 | V270-V296 HydrophobicContact CG2-CB 4.45Å; V270-V296 HydrophobicContact CG2-CG1 3.58Å; V270-V296 HydrophobicContact CG2-CG2 3.93Å; K283-V296 CarbonylContact O-C 3.58Å; K283-V296 WeakPolarHBondContact O-CA 3.42Å; V294-V296 HydrophobicContact CB-CG2 4.32Å; V294-V296 HydrophobicContact CG1-CG2 3.75Å; V296-V305 PolarHBondContact N-O 2.87Å; V296-V305 PolarHBondContact O-N 2.81Å; V296-L307 HydrophobicContact CB-CD1 4.28Å; V296-L307 HydrophobicContact CG2-CD1 4.24Å |
| 297 | K | 92.6 | Very high | 88.3 | Confident | 106 Ų | 106 | 63.2 Ų | 63.2 | 46% | 0.461 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 108.8 | 168.8 | -171.5 | 170 | -173.7 | 166.9 | 0 | 109.3 | G282 K283 T304 | G282-K297 CarbonylContact C-O 3.56Å; G282-K297 WeakPolarHBondContact CA-O 3.28Å; K283-K297 PolarHBondContact N-O 2.84Å; K283-K297 PolarHBondContact O-N 2.91Å; K297-T304 HydrophobicContact CB-CG2 4.21Å; K297-T304 HydrophobicContact CG-CG2 4.21Å |
| 298 | L | 91.3 | Very high | 88.3 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.026 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 139.2 | -179.5 | -63.9 | 174.7 | 0 | 0 | 0 | 110.7 | V272 H277 L280 I300 G302 K303 V305 | V272-L298 HydrophobicContact CG2-CD2 4.1Å; H277-L298 HydrophobicContact CB-CD1 3.99Å; H277-L298 HydrophobicContact CB-CD2 4.48Å; H277-L298 WeakPolarHBondContact ND1-CD1 3.31Å; L280-L298 HydrophobicContact CB-CD2 4.07Å; L280-L298 HydrophobicContact CD1-CD1 4.2Å; L298-I300 VanDerWaalsContact C-N 3.3Å; L298-G302 WeakPolarHBondContact O-CA 3.38Å; L298-G302 PolarHBondContact O-N 3.23Å; L298-K303 PolarHBondContact N-O 2.91Å; L298-V305 HydrophobicContact CD1-CG2 3.73Å; L298-V305 HydrophobicContact CG-CG2 4.23Å |
| 299 | A | 87.7 | Confident | 88.2 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 28% | 0.281 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -36.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y281 Y320 S324 | Y281-A299 WeakPolarHBondContact O-CB 3.45Å; Y281-A299 PolarHBondContact O-N 2.93Å; A299-Y320 HydrophobicContact CB-CE2 4.3Å; A299-Y320 VanDerWaalsContact CB-OH 3.31Å; A299-Y320 WeakPolarHBondContact CB-OH 3.2Å; A299-S324 WeakPolarHBondContact CB-O 3.35Å |
| 300 | I | 83.2 | Confident | 88.4 | Confident | 50 Ų | 50 | 69.1 Ų | 69.1 | 26% | 0.256 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 116.9 | 179 | -53.9 | -173.1 | 0 | 0 | 0 | 107.9 | L280 L298 G302 S324 L327 L330 | L280-I300 HydrophobicContact CD2-CB 4.24Å; L280-I300 HydrophobicContact CD2-CD1 3.8Å; L280-I300 HydrophobicContact CD2-CG1 4.35Å; L298-I300 VanDerWaalsContact C-N 3.3Å; I300-G302 VanDerWaalsContact C-N 3.32Å; I300-G302 PolarHBondContact O-N 2.9Å; I300-S324 WeakPolarHBondContact CG1-O 3.41Å; I300-L327 HydrophobicContact CD1-CD2 4.19Å; I300-L327 HydrophobicContact CG2-CD2 4.38Å; I300-L330 HydrophobicContact CD1-CD1 4.12Å |
| 301 | G | 79.4 | Confident | 88.5 | Confident | 75 Ų | 75 | 62.3 Ų | 62.3 | 77% | 0.773 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | -2.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | K303 | G301-K303 PolarHBondContact O-N 2.82Š|
| 302 | G | 83.8 | Confident | 88.8 | Confident | 40 Ų | 40 | 58.2 Ų | 58.2 | 41% | 0.412 | 32% | 0.323 | S | S | . | . | trans | 62.8 | 4.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116 | L298 I300 | L298-G302 WeakPolarHBondContact O-CA 3.38Å; L298-G302 PolarHBondContact O-N 3.23Å; I300-G302 VanDerWaalsContact C-N 3.32Å; I300-G302 PolarHBondContact O-N 2.9Å | ||
| 303 | K | 89.4 | Confident | 88.9 | Confident | 136 Ų | 136 | 64.1 Ų | 64.1 | 59% | 0.591 | 35% | 0.345 | S | S | * | . | trans | -73.8 | 134.2 | -175.9 | -170 | 176.6 | -177.8 | 179.8 | 0 | 110.3 | L298 G301 V305 | L298-K303 PolarHBondContact N-O 2.91Å; G301-K303 PolarHBondContact O-N 2.82Å; K303-V305 HydrophobicContact CG-CG2 4.27Å | ||
| 304 | T | 91.8 | Very high | 88.9 | Confident | 78 Ų | 78 | 59.6 Ų | 59.6 | 48% | 0.479 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 128.4 | 171.6 | 50.3 | 0 | 0 | 0 | 0 | 109.4 | E285 K297 | E285-T304 VanDerWaalsContact OE2-CG2 3.27Å; E285-T304 WeakPolarHBondContact OE2-CG2 3.39Å; K297-T304 HydrophobicContact CB-CG2 4.21Å; K297-T304 HydrophobicContact CG-CG2 4.21Å |
| 305 | V | 90 | Very high | 88.7 | Confident | 22 Ų | 22 | 59.9 Ų | 59.9 | 13% | 0.133 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 134.1 | -177.9 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | V296 L298 K303 L307 | V296-V305 PolarHBondContact N-O 2.87Å; V296-V305 PolarHBondContact O-N 2.81Å; L298-V305 HydrophobicContact CD1-CG2 3.73Å; L298-V305 HydrophobicContact CG-CG2 4.23Å; K303-V305 HydrophobicContact CG-CG2 4.27Å; V305-L307 HydrophobicContact CG1-CD2 3.75Å; V305-L307 HydrophobicContact CG1-CG 4.04Å |
| 306 | T | 91.3 | Very high | 88.5 | Confident | 84 Ų | 84 | 58.5 Ų | 58.5 | 52% | 0.515 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 120.5 | 171.9 | -47.4 | 0 | 0 | 0 | 0 | 109.4 | R293 | R293-T306 HydrophobicContact CB-CG2 4.05Å; R293-T306 HydrophobicContact CG-CG2 4.39Å |
| 307 | L | 89.8 | Confident | 88.1 | Confident | 22 Ų | 22 | 66.4 Ų | 66.4 | 12% | 0.115 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 155.5 | -177.4 | -61.5 | 172.1 | 0 | 0 | 0 | 110 | V272 R293 V294 V296 V305 V312 | V272-L307 HydrophobicContact CB-CD1 4.18Å; V272-L307 HydrophobicContact CG1-CD1 3.8Å; V272-L307 HydrophobicContact CG1-CD2 4.33Å; V272-L307 HydrophobicContact CG2-CD1 3.31Å; R293-L307 CarbonylContact C-O 3.53Å; R293-L307 WeakPolarHBondContact CA-O 3.43Å; V294-L307 PolarHBondContact N-O 2.93Å; V294-L307 PolarHBondContact O-N 2.97Å; V296-L307 HydrophobicContact CB-CD1 4.28Å; V296-L307 HydrophobicContact CG2-CD1 4.24Å; V305-L307 HydrophobicContact CG1-CD2 3.75Å; V305-L307 HydrophobicContact CG1-CG 4.04Å; L307-V312 HydrophobicContact CB-CG2 3.87Å; L307-V312 HydrophobicContact CD1-CG2 4.1Å |
| 308 | S | 89.8 | Confident | 87.8 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 39% | 0.392 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 141.2 | 172.1 | 177.9 | 0 | 0 | 0 | 0 | 110.2 | Y310 G311 V312 | S308-Y310 PolarHBondContact O-N 2.69Å; S308-G311 PolarHBondContact O-N 2.86Å; S308-V312 WeakPolarHBondContact O-CG2 3.41Å |
| 309 | Q | 87.8 | Confident | 87.6 | Confident | 70 Ų | 70 | 71 Ų | 71 | 33% | 0.327 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -52.3 | -37.2 | 175.5 | -167.5 | -177.3 | 8 | 0 | 0 | 112.2 | M264 A292 V294 G311 V312 | M264-Q309 HydrophobicContact CE-CB 4.47Å; M264-Q309 HydrophobicContact CE-CG 3.49Å; M264-Q309 VanDerWaalsContact CE-CG 3.49Å; M264-Q309 HydrophobicContact SD-CG 3.51Å; M264-Q309 VanDerWaalsContact SD-CG 3.51Å; M264-Q309 PolarHBondContact SD-NE2 2.93Å; A292-Q309 HydrophobicContact CB-CB 4.39Å; A292-Q309 WeakPolarHBondContact O-CB 3.49Å; A292-Q309 PolarHBondContact O-N 2.83Å; V294-Q309 HydrophobicContact CG2-CB 4.14Å; V294-Q309 HydrophobicContact CG2-CG 4.3Å; Q309-G311 VanDerWaalsContact C-N 3.27Å; Q309-G311 PolarHBondContact O-N 3.32Å; Q309-V312 PolarHBondContact O-N 3.15Å |
| 310 | Y | 87.3 | Confident | 87.5 | Confident | 200 Ų | 200 | 70.7 Ų | 70.7 | 78% | 0.784 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -71.5 | -18.3 | 178.9 | -57 | -73.7 | 0 | 0 | 0 | 114 | A292 S308 | A292-Y310 HydrophobicContact CB-CE2 4.12Å; S308-Y310 PolarHBondContact O-N 2.69Å |
| 311 | G | 85.8 | Confident | 87.7 | Confident | 10 Ų | 10 | 75.4 Ų | 75.4 | 10% | 0.103 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -91.9 | 5.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G273 S274 S308 Q309 | G273-G311 PolarHBondContact N-O 3.21Å; S274-G311 PolarHBondContact N-O 3.21Å; S274-G311 VanDerWaalsContact OG-CA 3.26Å; S274-G311 WeakPolarHBondContact OG-CA 3.38Å; S308-G311 PolarHBondContact O-N 2.86Å; Q309-G311 VanDerWaalsContact C-N 3.27Å; Q309-G311 PolarHBondContact O-N 3.32Å |
| 312 | V | 88.9 | Confident | 87.9 | Confident | 18 Ų | 18 | 78.9 Ų | 78.9 | 11% | 0.109 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.1 | -168.8 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | M264 V270 L307 S308 Q309 | M264-V312 HydrophobicContact CE-CB 4.45Å; V270-V312 HydrophobicContact CB-CG1 3.34Å; V270-V312 HydrophobicContact CG1-CG1 3.52Å; V270-V312 HydrophobicContact CG2-CG1 3.79Å; L307-V312 HydrophobicContact CB-CG2 3.87Å; L307-V312 HydrophobicContact CD1-CG2 4.1Å; S308-V312 WeakPolarHBondContact O-CG2 3.41Å; Q309-V312 PolarHBondContact O-N 3.15Å |
| 313 | K | 90.2 | Very high | 87.8 | Confident | 146 Ų | 146 | 80.5 Ų | 80.5 | 64% | 0.635 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 128.5 | 177.5 | -172.5 | 178.5 | 179.8 | -178.2 | 0 | 110 | V270 L271 | V270-K313 CarbonylContact C-O 3.6Å; V270-K313 VanDerWaalsContact CA-O 3.32Å; V270-K313 WeakPolarHBondContact CA-O 3.35Å; L271-K313 PolarHBondContact N-O 3.28Å; L271-K313 PolarHBondContact O-N 3.46Å |
| 314 | L | 89.2 | Confident | 87.3 | Confident | 51 Ų | 51 | 74.4 Ų | 74.4 | 27% | 0.267 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 136.3 | 174.4 | -77.6 | 159.6 | 0 | 0 | 0 | 110.9 | L262 M264 V270 I284 | L262-L314 HydrophobicContact CB-CB 4.26Å; M264-L314 HydrophobicContact CB-CD1 4.11Å; M264-L314 HydrophobicContact CG-CD1 4.31Å; M264-L314 HydrophobicContact CG-CD2 4.41Å; V270-L314 HydrophobicContact CG1-CD2 3.92Å; I284-L314 HydrophobicContact CD1-CD2 4.42Å |
| 315 | V | 88.4 | Confident | 86.7 | Confident | 5 Ų | 5 | 79.2 Ų | 79.2 | 3% | 0.03 | 37% | 0.369 | C | S | . | . | trans | -131.8 | 141.9 | -175.4 | 175 | 0 | 0 | 0 | 0 | 109.6 | C269 L271 Y281 E319 | C269-V315 WeakPolarHBondContact CB-O 3.14Å; C269-V315 PolarHBondContact O-N 3.4Å; C269-V315 VanDerWaalsContact O-O 3.09Å; L271-V315 HydrophobicContact CB-CG2 3.7Å; Y281-V315 HydrophobicContact CD1-CG1 4.48Å; Y281-V315 HydrophobicContact CE1-CB 4.41Å; Y281-V315 HydrophobicContact CE1-CG1 3.97Å; Y281-V315 HydrophobicContact CE1-CG2 4.02Å; V315-E319 HydrophobicContact CG1-CB 3.51Å; V315-E319 HydrophobicContact CG1-CG 3.61Å; V315-E319 WeakPolarHBondContact CG1-OE2 3.46Å | ||
| 316 | G | 88.3 | Confident | 85.9 | Confident | 21 Ų | 21 | 80.8 Ų | 80.8 | 22% | 0.216 | 38% | 0.377 | C | S | . | . | trans | -70.4 | 154.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K318 E319 Y320 | G316-K318 PolarHBondContact O-N 3.09Å; G316-E319 PolarHBondContact O-N 3.33Å; G316-E319 VanDerWaalsContact O-N 3.09Å; G316-Y320 PolarHBondContact O-N 3.47Å; G316-Y320 VanDerWaalsContact O-N 3.07Å | ||
| 317 | R | 85.1 | Confident | 84.9 | Confident | 165 Ų | 165 | 82.3 Ų | 82.3 | 62% | 0.623 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -56 | -38.7 | -177.3 | -169.2 | -179.5 | -66 | -162.3 | -0.7 | 112.6 | E260 E319 Y320 E321 | E260-R317 VanDerWaalsContact OE2-CB 3.3Å; E260-R317 WeakPolarHBondContact OE2-CB 3.33Å; E260-R317 PolarHBondContact OE2-N 3.15Å; R317-E319 PolarHBondContact O-N 2.88Å; R317-Y320 PolarHBondContact O-N 3.27Å; R317-E321 PolarHBondContact O-N 2.83Å |
| 318 | K | 85.2 | Confident | 83.9 | Confident | 130 Ų | 130 | 84.2 Ų | 84.2 | 57% | 0.565 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65 | -34.6 | 179.4 | -64.5 | -177.1 | 178.9 | -178.5 | 0 | 113.9 | G316 K322 | G316-K318 PolarHBondContact O-N 3.09Å; K318-K322 WeakPolarHBondContact O-CD 3.4Å; K318-K322 VanDerWaalsContact O-CG 3.31Å; K318-K322 WeakPolarHBondContact O-CG 3.34Å |
| 319 | E | 87.4 | Confident | 82.8 | Confident | 79 Ų | 79 | 85.9 Ų | 85.9 | 37% | 0.369 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -78.6 | -42.5 | 177.4 | 178.9 | -173.5 | 158.9 | 0 | 0 | 110 | Y281 V315 G316 R317 E321 K322 Y323 | Y281-E319 HydrophobicContact CE1-CG 4.45Å; Y281-E319 PolarHBondContact OH-OE1 3.11Å; V315-E319 HydrophobicContact CG1-CB 3.51Å; V315-E319 HydrophobicContact CG1-CG 3.61Å; V315-E319 WeakPolarHBondContact CG1-OE2 3.46Å; G316-E319 PolarHBondContact O-N 3.33Å; G316-E319 VanDerWaalsContact O-N 3.09Å; R317-E319 PolarHBondContact O-N 2.88Å; E319-E321 VanDerWaalsContact C-N 3.35Å; E319-E321 PolarHBondContact O-N 3.48Å; E319-K322 PolarHBondContact O-N 3.23Å; E319-Y323 HydrophobicContact CG-CD2 3.61Å; E319-Y323 HydrophobicContact CG-CE2 3.96Å; E319-Y323 VanDerWaalsContact O-CD2 3.28Å; E319-Y323 WeakPolarHBondContact O-CD2 3.46Å; E319-Y323 PolarHBondContact O-N 3Å; E319-Y323 VanDerWaalsContact O-N 3.07Å |
| 320 | Y | 86.4 | Confident | 81.6 | Confident | 26 Ų | 26 | 86.1 Ų | 86.1 | 10% | 0.102 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -57 | -47.2 | 176.2 | -178.7 | -90.2 | 0 | 0 | 0 | 111.6 | C269 Y281 G282 K283 A299 G316 R317 K322 Y323 S324 | C269-Y320 HydrophobicContact CB-CD2 3.81Å; C269-Y320 HydrophobicContact CB-CG 3.83Å; Y281-Y320 HydrophobicContact CD1-CD2 4.16Å; Y281-Y320 HydrophobicContact CG-CD2 4.41Å; G282-Y320 WeakPolarHBondContact O-CE2 3.4Å; K283-Y320 HydrophobicContact CG-CE1 4.31Å; K283-Y320 HydrophobicContact CG-CE2 4.31Å; A299-Y320 HydrophobicContact CB-CE2 4.3Å; A299-Y320 VanDerWaalsContact CB-OH 3.31Å; A299-Y320 WeakPolarHBondContact CB-OH 3.2Å; G316-Y320 PolarHBondContact O-N 3.47Å; G316-Y320 VanDerWaalsContact O-N 3.07Å; R317-Y320 PolarHBondContact O-N 3.27Å; Y320-K322 VanDerWaalsContact C-N 3.3Å; Y320-K322 PolarHBondContact O-N 3.08Å; Y320-Y323 PolarHBondContact O-N 2.99Å; Y320-S324 WeakPolarHBondContact O-CA 3.38Å; Y320-S324 WeakPolarHBondContact O-CB 3.42Å; Y320-S324 PolarHBondContact O-N 2.66Å; Y320-S324 PolarHBondContact O-OG 3.41Å |
| 321 | E | 86.6 | Confident | 80.6 | Confident | 150 Ų | 150 | 79.1 Ų | 79.1 | 70% | 0.701 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.7 | -36.3 | -179 | -171.8 | 162.2 | -151.5 | 0 | 0 | 113.1 | R317 E319 | R317-E321 PolarHBondContact O-N 2.83Å; E319-E321 VanDerWaalsContact C-N 3.35Å; E319-E321 PolarHBondContact O-N 3.48Å |
| 322 | K | 83.9 | Confident | 79.6 | Confident | 147 Ų | 147 | 89.1 Ų | 89.1 | 64% | 0.639 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -72.4 | -39.6 | 179.7 | -70.6 | 176.3 | -176.6 | -174.8 | 0 | 113.2 | K318 E319 Y320 | K318-K322 WeakPolarHBondContact O-CD 3.4Å; K318-K322 VanDerWaalsContact O-CG 3.31Å; K318-K322 WeakPolarHBondContact O-CG 3.34Å; E319-K322 PolarHBondContact O-N 3.23Å; Y320-K322 VanDerWaalsContact C-N 3.3Å; Y320-K322 PolarHBondContact O-N 3.08Å |
| 323 | Y | 81.3 | Confident | 78.5 | Confident | 74 Ų | 74 | 91.7 Ų | 91.7 | 29% | 0.29 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -113.2 | -6.2 | -168.8 | -56.2 | -60.8 | 0 | 0 | 0 | 114.6 | E319 Y320 K325 D326 R329 | E319-Y323 HydrophobicContact CG-CD2 3.61Å; E319-Y323 HydrophobicContact CG-CE2 3.96Å; E319-Y323 VanDerWaalsContact O-CD2 3.28Å; E319-Y323 WeakPolarHBondContact O-CD2 3.46Å; E319-Y323 PolarHBondContact O-N 3Å; E319-Y323 VanDerWaalsContact O-N 3.07Å; Y320-Y323 PolarHBondContact O-N 2.99Å; Y323-K325 PolarHBondContact O-N 3.02Å; Y323-D326 PolarHBondContact O-N 3.17Å; Y323-R329 VanDerWaalsContact CD1-NH1 3.26Å; Y323-R329 PolarHBondContact OH-NH2 3.39Å |
| 324 | S | 79.4 | Confident | 77.2 | Confident | 9 Ų | 9 | 87.9 Ų | 87.9 | 6% | 0.063 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.1 | 180 | 54.6 | 0 | 0 | 0 | 0 | 114.3 | A299 I300 Y320 | A299-S324 WeakPolarHBondContact CB-O 3.35Å; I300-S324 WeakPolarHBondContact CG1-O 3.41Å; Y320-S324 WeakPolarHBondContact O-CA 3.38Å; Y320-S324 WeakPolarHBondContact O-CB 3.42Å; Y320-S324 PolarHBondContact O-N 2.66Å; Y320-S324 PolarHBondContact O-OG 3.41Å |
| 325 | K | 78.5 | Confident | 76.2 | Confident | 179 Ų | 179 | 90.4 Ų | 90.4 | 78% | 0.778 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | 4.5 | -179 | -60.8 | -179.8 | -176.7 | 176.4 | 0 | 113.3 | Y323 L327 | Y323-K325 PolarHBondContact O-N 3.02Å; K325-L327 PolarHBondContact O-N 3.08Å |
| 326 | D | 74.5 | Confident | 75.4 | Confident | 54 Ų | 54 | 96.7 Ų | 96.7 | 29% | 0.289 | 46% | 0.457 | S | S | . | . | trans | -86.6 | 95.4 | -174 | -171 | 6.1 | 0 | 0 | 0 | 111.1 | Y323 S328 | Y323-D326 PolarHBondContact O-N 3.17Å; D326-S328 PolarHBondContact O-N 2.8Å; D326-S328 VanDerWaalsContact OD1-CB 3.22Å; D326-S328 WeakPolarHBondContact OD1-CB 3.44Å; D326-S328 PolarHBondContact OD1-N 3.03Å; D326-S328 VanDerWaalsContact OD1-N 3.11Å; D326-S328 PolarHBondContact OD1-OG 2.67Å; D326-S328 PolarHBondContact OD2-OG 3.11Å | ||
| 327 | L | 69.1 | Low | 74.9 | Confident | 117 Ų | 117 | 101.8 Ų | 101.8 | 61% | 0.613 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -70.8 | -14.6 | 177.7 | -69 | 165.4 | 0 | 0 | 0 | 112.9 | I300 K325 R329 L330 | I300-L327 HydrophobicContact CD1-CD2 4.19Å; I300-L327 HydrophobicContact CG2-CD2 4.38Å; K325-L327 PolarHBondContact O-N 3.08Å; L327-R329 VanDerWaalsContact C-N 3.26Å; L327-R329 PolarHBondContact O-N 3.03Å; L327-L330 HydrophobicContact CD2-CD1 4.29Å; L327-L330 PolarHBondContact O-N 3.28Å |
| 328 | S | 70.1 | Confident | 74.3 | Confident | 62 Ų | 62 | 98 Ų | 98 | 43% | 0.434 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -64 | -32.5 | -176.8 | 72.4 | 0 | 0 | 0 | 0 | 112.4 | D326 L330 S331 | D326-S328 PolarHBondContact O-N 2.8Å; D326-S328 VanDerWaalsContact OD1-CB 3.22Å; D326-S328 WeakPolarHBondContact OD1-CB 3.44Å; D326-S328 PolarHBondContact OD1-N 3.03Å; D326-S328 VanDerWaalsContact OD1-N 3.11Å; D326-S328 PolarHBondContact OD1-OG 2.67Å; D326-S328 PolarHBondContact OD2-OG 3.11Å; S328-L330 VanDerWaalsContact C-N 3.29Å; S328-L330 PolarHBondContact O-N 2.75Å; S328-S331 VanDerWaalsContact O-CB 3.31Å; S328-S331 WeakPolarHBondContact O-CB 3.45Å; S328-S331 PolarHBondContact O-N 3.36Å; S328-S331 PolarHBondContact O-OG 3.24Å |
| 329 | R | 64.8 | Low | 73.9 | Confident | 90 Ų | 90 | 97.3 Ų | 97.3 | 34% | 0.34 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -69.6 | -24.5 | 178.4 | -72.5 | -175.8 | 157.8 | -169.7 | -4.6 | 113.9 | Y323 L327 S331 | Y323-R329 VanDerWaalsContact CD1-NH1 3.26Å; Y323-R329 PolarHBondContact OH-NH2 3.39Å; L327-R329 VanDerWaalsContact C-N 3.26Å; L327-R329 PolarHBondContact O-N 3.03Å; R329-S331 VanDerWaalsContact C-N 3.31Å |
| 330 | L | 62.6 | Low | 73.4 | Confident | 75 Ų | 75 | 100.2 Ų | 100.2 | 39% | 0.393 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -85.8 | -6.5 | 177.9 | -63 | 170.1 | 0 | 0 | 0 | 112.2 | D279 L280 I300 L327 S328 | D279-L330 HydrophobicContact CB-CD2 4.29Å; L280-L330 HydrophobicContact CD2-CD1 3.73Å; L280-L330 HydrophobicContact CD2-CD2 4.44Å; I300-L330 HydrophobicContact CD1-CD1 4.12Å; L327-L330 HydrophobicContact CD2-CD1 4.29Å; L327-L330 PolarHBondContact O-N 3.28Å; S328-L330 VanDerWaalsContact C-N 3.29Å; S328-L330 PolarHBondContact O-N 2.75Å |
| 331 | S | 68.2 | Low | 73 | Confident | 54 Ų | 54 | 103.2 Ų | 103.2 | 38% | 0.378 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -66.4 | 143.5 | 175.4 | 74.3 | 0 | 0 | 0 | 0 | 111.6 | S328 R329 A333 H334 K335 | S328-S331 VanDerWaalsContact O-CB 3.31Å; S328-S331 WeakPolarHBondContact O-CB 3.45Å; S328-S331 PolarHBondContact O-N 3.36Å; S328-S331 PolarHBondContact O-OG 3.24Å; R329-S331 VanDerWaalsContact C-N 3.31Å; S331-A333 PolarHBondContact O-N 2.93Å; S331-H334 PolarHBondContact O-N 2.94Å; S331-K335 PolarHBondContact O-N 3.41Å; S331-K335 VanDerWaalsContact O-N 3.14Å |
| 332 | R | 63.7 | Low | 72.5 | Confident | 220 Ų | 220 | 101.6 Ų | 101.6 | 83% | 0.83 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -56.1 | -36.9 | -178.5 | -71.1 | -177.7 | 177.1 | 178.6 | -0.9 | 112.5 | K335 E336 | R332-K335 PolarHBondContact O-N 2.94Å; R332-E336 PolarHBondContact O-N 3.31Å |
| 333 | A | 65.8 | Low | 72.2 | Confident | 71 Ų | 71 | 101.2 Ų | 101.2 | 59% | 0.587 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.5 | -41.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S331 K335 K337 | S331-A333 PolarHBondContact O-N 2.93Å; A333-K335 VanDerWaalsContact C-N 3.35Å; A333-K337 PolarHBondContact O-N 3.06Å |
| 334 | H | 63.2 | Low | 72.2 | Confident | 66 Ų | 66 | 103.5 Ų | 103.5 | 31% | 0.306 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.7 | -35.1 | 176.9 | -167.8 | -82.2 | 0 | 0 | 0 | 111.4 | S331 K337 E338 | S331-H334 PolarHBondContact O-N 2.94Å; H334-K337 PolarHBondContact O-N 3.29Å; H334-E338 PolarHBondContact O-N 3.37Å |
| 335 | K | 68.4 | Low | 72.1 | Confident | 105 Ų | 105 | 111.6 Ų | 111.6 | 46% | 0.457 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67 | -35.5 | 177.5 | -163.2 | 169.7 | -170 | 164.7 | 0 | 113 | S331 R332 A333 K339 | S331-K335 PolarHBondContact O-N 3.41Å; S331-K335 VanDerWaalsContact O-N 3.14Å; R332-K335 PolarHBondContact O-N 2.94Å; A333-K335 VanDerWaalsContact C-N 3.35Å; K335-K339 VanDerWaalsContact O-CG 3.3Å; K335-K339 WeakPolarHBondContact O-CG 3.32Å; K335-K339 PolarHBondContact O-N 3.37Å |
| 336 | E | 71.9 | Confident | 71.9 | Confident | 136 Ų | 136 | 108 Ų | 108 | 64% | 0.636 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -70.7 | -42.5 | 174.4 | -76.8 | 177.7 | 173.4 | 0 | 0 | 112 | R332 E338 K339 E340 | R332-E336 PolarHBondContact O-N 3.31Å; E336-E338 PolarHBondContact O-N 3.14Å; E336-K339 PolarHBondContact O-N 3.33Å; E336-E340 PolarHBondContact O-N 2.85Å |
| 337 | K | 75.8 | Confident | 72.1 | Confident | 128 Ų | 128 | 114.4 Ų | 114.4 | 56% | 0.557 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.1 | -38.6 | 177.6 | -168.6 | 173.4 | -175.4 | 174 | 0 | 113.1 | A333 H334 K341 | A333-K337 PolarHBondContact O-N 3.06Å; H334-K337 PolarHBondContact O-N 3.29Å; K337-K341 WeakPolarHBondContact O-CG 3.28Å; K337-K341 PolarHBondContact O-N 2.87Å |
| 338 | E | 73.8 | Confident | 72.5 | Confident | 87 Ų | 87 | 113.8 Ų | 113.8 | 41% | 0.407 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.4 | -38.2 | 175.3 | -74.4 | -66.8 | 118.8 | 0 | 0 | 112.1 | H334 E336 E340 K341 E342 | H334-E338 PolarHBondContact O-N 3.37Å; E336-E338 PolarHBondContact O-N 3.14Å; E338-E340 VanDerWaalsContact C-N 3.3Å; E338-E340 PolarHBondContact O-N 2.88Å; E338-K341 PolarHBondContact O-N 2.83Å; E338-K341 IonicContact OE1-NZ 2.66Å; E338-K341 PolarHBondContact OE1-NZ 2.94Å; E338-E342 PolarHBondContact O-N 2.81Å |
| 339 | K | 75.6 | Confident | 72.6 | Confident | 115 Ų | 115 | 116.1 Ų | 116.1 | 50% | 0.5 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.2 | -36.2 | 173.6 | -78.8 | 177.4 | 177.7 | -174.2 | 0 | 112.8 | K335 E336 K343 | K335-K339 VanDerWaalsContact O-CG 3.3Å; K335-K339 WeakPolarHBondContact O-CG 3.32Å; K335-K339 PolarHBondContact O-N 3.37Å; E336-K339 PolarHBondContact O-N 3.33Å; K339-K343 WeakPolarHBondContact O-CG 3.5Å; K339-K343 PolarHBondContact O-N 2.92Å; K339-K343 VanDerWaalsContact O-N 3.1Å |
| 340 | E | 78.4 | Confident | 72.9 | Confident | 139 Ų | 139 | 118.5 Ų | 118.5 | 65% | 0.65 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.3 | -44.9 | 177.3 | -169.3 | 173.4 | -162.6 | 0 | 0 | 111.4 | E336 E338 E342 K343 E344 | E336-E340 PolarHBondContact O-N 2.85Å; E338-E340 VanDerWaalsContact C-N 3.3Å; E338-E340 PolarHBondContact O-N 2.88Å; E340-E342 VanDerWaalsContact C-N 3.33Å; E340-E342 PolarHBondContact O-N 3.39Å; E340-K343 PolarHBondContact O-N 2.9Å; E340-E344 PolarHBondContact O-N 2.96Å |
| 341 | K | 76.7 | Confident | 73.4 | Confident | 90 Ų | 90 | 122.3 Ų | 122.3 | 39% | 0.391 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.5 | -37.2 | 174.3 | -69.2 | 176.1 | -170.9 | 168.5 | 0 | 113.1 | K337 E338 E344 R345 | K337-K341 WeakPolarHBondContact O-CG 3.28Å; K337-K341 PolarHBondContact O-N 2.87Å; E338-K341 PolarHBondContact O-N 2.83Å; E338-K341 IonicContact OE1-NZ 2.66Å; E338-K341 PolarHBondContact OE1-NZ 2.94Å; K341-E344 PolarHBondContact O-N 2.77Å; K341-R345 WeakPolarHBondContact O-CG 3.24Å; K341-R345 PolarHBondContact O-N 2.96Å |
| 342 | E | 76 | Confident | 73.2 | Confident | 115 Ų | 115 | 126.6 Ų | 126.6 | 54% | 0.537 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.4 | -42.5 | 177 | -171.4 | 175.2 | -169.5 | 0 | 0 | 111.2 | E338 E340 E344 R345 Q346 | E338-E342 PolarHBondContact O-N 2.81Å; E340-E342 VanDerWaalsContact C-N 3.33Å; E340-E342 PolarHBondContact O-N 3.39Å; E342-E344 VanDerWaalsContact C-N 3.33Å; E342-E344 PolarHBondContact O-N 2.89Å; E342-R345 PolarHBondContact O-N 2.74Å; E342-Q346 WeakPolarHBondContact O-CG 3.3Å; E342-Q346 PolarHBondContact O-N 2.9Å |
| 343 | K | 78.3 | Confident | 73 | Confident | 139 Ų | 139 | 123.5 Ų | 123.5 | 60% | 0.604 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.2 | -38.1 | 173.7 | -74 | 176.3 | 179.1 | -176.9 | 0 | 112.5 | K339 E340 Q346 R347 | K339-K343 WeakPolarHBondContact O-CG 3.5Å; K339-K343 PolarHBondContact O-N 2.92Å; K339-K343 VanDerWaalsContact O-N 3.1Å; E340-K343 PolarHBondContact O-N 2.9Å; K343-Q346 PolarHBondContact O-N 2.82Å; K343-R347 WeakPolarHBondContact O-CG 3.4Å; K343-R347 PolarHBondContact O-N 2.78Å; K343-R347 VanDerWaalsContact O-N 3.07Å |
| 344 | E | 80.8 | Confident | 72.6 | Confident | 123 Ų | 123 | 123.6 Ų | 123.6 | 58% | 0.575 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66 | -41.2 | 176.7 | -168.1 | 178.3 | -167.1 | 0 | 0 | 111.8 | E340 K341 E342 R347 L348 | E340-E344 PolarHBondContact O-N 2.96Å; K341-E344 PolarHBondContact O-N 2.77Å; E342-E344 VanDerWaalsContact C-N 3.33Å; E342-E344 PolarHBondContact O-N 2.89Å; E344-R347 PolarHBondContact O-N 3Å; E344-L348 HydrophobicContact CG-CD1 4.48Å; E344-L348 PolarHBondContact O-N 2.81Å |
| 345 | R | 76.9 | Confident | 72.2 | Confident | 178 Ų | 178 | 124.2 Ų | 124.2 | 67% | 0.672 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62 | -44.6 | 173.3 | -78.6 | 175.8 | 171.3 | -109 | -1.1 | 112.6 | K341 E342 R347 L348 E349 | K341-R345 WeakPolarHBondContact O-CG 3.24Å; K341-R345 PolarHBondContact O-N 2.96Å; E342-R345 PolarHBondContact O-N 2.74Å; R345-R347 VanDerWaalsContact C-N 3.3Å; R345-R347 PolarHBondContact O-N 3.36Å; R345-L348 PolarHBondContact O-N 3.49Å; R345-E349 PolarHBondContact O-N 2.86Å |
| 346 | Q | 74.2 | Confident | 71.2 | Confident | 105 Ų | 105 | 124 Ų | 124 | 49% | 0.491 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.9 | -40.1 | 176.9 | -73.4 | 175.9 | 0.7 | 0 | 0 | 111.8 | E342 K343 L348 E349 E350 | E342-Q346 WeakPolarHBondContact O-CG 3.3Å; E342-Q346 PolarHBondContact O-N 2.9Å; K343-Q346 PolarHBondContact O-N 2.82Å; Q346-L348 PolarHBondContact O-N 3.21Å; Q346-E349 PolarHBondContact O-N 3Å; Q346-E350 PolarHBondContact O-N 2.6Å |
| 347 | R | 79.6 | Confident | 70 | Confident | 188 Ų | 188 | 121.9 Ų | 121.9 | 71% | 0.709 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.4 | -37.8 | 174.9 | -76.2 | 177 | 175.1 | -175.2 | -1.5 | 113 | K343 E344 R345 K351 | K343-R347 WeakPolarHBondContact O-CG 3.4Å; K343-R347 PolarHBondContact O-N 2.78Å; K343-R347 VanDerWaalsContact O-N 3.07Å; E344-R347 PolarHBondContact O-N 3Å; R345-R347 VanDerWaalsContact C-N 3.3Å; R345-R347 PolarHBondContact O-N 3.36Å; R347-K351 WeakPolarHBondContact O-CB 3.22Å; R347-K351 PolarHBondContact O-N 2.76Å; R347-K351 VanDerWaalsContact O-N 3.15Å |
| 348 | L | 77.5 | Confident | 68.6 | Low | 103 Ų | 103 | 122.9 Ų | 122.9 | 54% | 0.539 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.8 | -42.8 | 176.1 | -77.4 | 160.3 | 0 | 0 | 0 | 111.5 | E344 R345 Q346 K351 E352 | E344-L348 HydrophobicContact CG-CD1 4.48Å; E344-L348 PolarHBondContact O-N 2.81Å; R345-L348 PolarHBondContact O-N 3.49Å; Q346-L348 PolarHBondContact O-N 3.21Å; L348-K351 PolarHBondContact O-N 2.91Å; L348-E352 PolarHBondContact O-N 3.04Å |
| 349 | E | 71.5 | Confident | 67.1 | Low | 111 Ų | 111 | 127.8 Ų | 127.8 | 52% | 0.519 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.2 | -38.2 | 177 | -75.8 | -178.4 | -177.4 | 0 | 0 | 113 | R345 Q346 K351 K353 | R345-E349 PolarHBondContact O-N 2.86Å; Q346-E349 PolarHBondContact O-N 3Å; E349-K351 VanDerWaalsContact C-N 3.33Å; E349-K353 WeakPolarHBondContact O-CG 3.46Å; E349-K353 PolarHBondContact O-N 2.75Å; E349-K353 VanDerWaalsContact O-N 3.09Å |
| 350 | E | 71.4 | Confident | 65.8 | Low | 141 Ų | 141 | 128.9 Ų | 128.9 | 66% | 0.659 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.6 | -40.3 | 172.4 | -80.3 | -174.6 | 155.3 | 0 | 0 | 111.8 | Q346 K353 S354 | Q346-E350 PolarHBondContact O-N 2.6Å; E350-K353 PolarHBondContact O-N 2.99Å; E350-S354 PolarHBondContact O-N 2.93Å; E350-S354 VanDerWaalsContact O-N 3.17Å |
| 351 | K | 73.1 | Confident | 64 | Low | 154 Ų | 154 | 131.3 Ų | 131.3 | 67% | 0.67 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.2 | -39.6 | 179.4 | -159.6 | 172.1 | -177.6 | -179.9 | 0 | 111.8 | R347 L348 E349 S354 S355 | R347-K351 WeakPolarHBondContact O-CB 3.22Å; R347-K351 PolarHBondContact O-N 2.76Å; R347-K351 VanDerWaalsContact O-N 3.15Å; L348-K351 PolarHBondContact O-N 2.91Å; E349-K351 VanDerWaalsContact C-N 3.33Å; K351-S354 PolarHBondContact O-N 3.01Å; K351-S354 PolarHBondContact O-OG 3.24Å; K351-S355 PolarHBondContact O-N 2.66Å |
| 352 | E | 63.8 | Low | 62 | Low | 145 Ų | 145 | 135.9 Ų | 135.9 | 68% | 0.678 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -66.3 | -41.5 | 175.1 | -73.8 | -157.1 | 155.9 | 0 | 0 | 112.5 | L348 S354 S355 S356 | L348-E352 PolarHBondContact O-N 3.04Å; E352-S354 VanDerWaalsContact C-N 3.26Å; E352-S354 PolarHBondContact O-N 3.42Å; E352-S355 PolarHBondContact O-N 3.4Å; E352-S355 VanDerWaalsContact O-N 3.08Å; E352-S355 PolarHBondContact O-OG 3Å; E352-S356 PolarHBondContact O-N 2.94Å |
| 353 | K | 59.2 | Low | 60 | Low | 154 Ų | 154 | 140.4 Ų | 140.4 | 67% | 0.67 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -59.5 | -35.5 | 175.7 | -75.6 | 173.5 | -177.4 | 171.3 | 0 | 112.7 | E349 E350 | E349-K353 WeakPolarHBondContact O-CG 3.46Å; E349-K353 PolarHBondContact O-N 2.75Å; E349-K353 VanDerWaalsContact O-N 3.09Å; E350-K353 PolarHBondContact O-N 2.99Å |
| 354 | S | 57.5 | Low | 57.9 | Low | 74 Ų | 74 | 139 Ų | 139 | 52% | 0.517 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -72 | -26 | 176.4 | 72.9 | 0 | 0 | 0 | 0 | 114.2 | E350 K351 E352 S357 | E350-S354 PolarHBondContact O-N 2.93Å; E350-S354 VanDerWaalsContact O-N 3.17Å; K351-S354 PolarHBondContact O-N 3.01Å; K351-S354 PolarHBondContact O-OG 3.24Å; E352-S354 VanDerWaalsContact C-N 3.26Å; E352-S354 PolarHBondContact O-N 3.42Å; S354-S357 PolarHBondContact O-OG 3.3Å; S354-S357 VanDerWaalsContact O-OG 3.11Å |
| 355 | S | 54.8 | Low | 55.7 | Low | 79 Ų | 79 | 138.8 Ų | 138.8 | 55% | 0.552 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -86 | -16.1 | -177.8 | 71 | 0 | 0 | 0 | 0 | 114.3 | K351 E352 | K351-S355 PolarHBondContact O-N 2.66Å; E352-S355 PolarHBondContact O-N 3.4Å; E352-S355 VanDerWaalsContact O-N 3.08Å; E352-S355 PolarHBondContact O-OG 3Å |
| 356 | S | 47.8 | Very low | 53.8 | Low | 100 Ų | 100 | 139.3 Ų | 139.3 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -81.8 | -14.9 | -179.3 | -178.6 | 0 | 0 | 0 | 0 | 113.7 | E352 | E352-S356 PolarHBondContact O-N 2.94Š|
| 357 | S | 48.2 | Very low | 51.9 | Low | 92 Ų | 92 | 145.7 Ų | 145.7 | 64% | 0.643 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -87.1 | -14.1 | -176.9 | 37.4 | 0 | 0 | 0 | 0 | 115 | S354 | S354-S357 PolarHBondContact O-OG 3.3Å; S354-S357 VanDerWaalsContact O-OG 3.11Å |
| 358 | D | 44.8 | Very low | 49.7 | Very low | 149 Ų | 149 | 144.8 Ų | 144.8 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -99.3 | 11.6 | -171.3 | -99.5 | -34.5 | 0 | 0 | 0 | 115.4 | ||
| 359 | K | 43.9 | Very low | 47.6 | Very low | 189 Ų | 189 | 148.7 Ų | 148.7 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | trans | -114.9 | 41.1 | -176.4 | -89.5 | -168 | 179.4 | -179.7 | 0 | 115.1 | ||||
| 360 | V | 46.8 | Very low | 45.7 | Very low | 138 Ų | 138 | 146.9 Ų | 146.9 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | trans | -145.6 | 80 | 162.2 | -165.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 361 | K | 40.5 | Very low | 44 | Very low | 190 Ų | 190 | 149.2 Ų | 149.2 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | trans | -169.9 | 122.8 | 146.6 | -110.8 | 169.4 | -175.4 | -180 | 0 | 110.7 | ||||
| 362 | H | 35.8 | Very low | 42.3 | Very low | 186 Ų | 186 | 148.1 Ų | 148.1 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | 146.1 | 96.9 | 142.2 | -78.3 | -68.2 | 0 | 0 | 0 | 110.5 | ||||
| 363 | K | 34.4 | Very low | 41.1 | Very low | 210 Ų | 210 | 147.8 Ų | 147.8 | 91% | 0.913 | 77% | 0.767 | S | S | * | * | trans | -146.4 | 90.6 | 154 | -162.3 | 176.1 | -170.4 | 176.9 | 0 | 108.8 | ||||
| 364 | S | 34.2 | Very low | 40.2 | Very low | 111 Ų | 111 | 150.8 Ų | 150.8 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | 178.2 | 140.8 | 141.8 | 55.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 365 | S | 33.6 | Very low | 39.5 | Very low | 117 Ų | 117 | 156.3 Ų | 156.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 99.9 | 100.9 | 150.8 | 86.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 366 | E | 36.8 | Very low | 38.9 | Very low | 190 Ų | 190 | 164.2 Ų | 164.2 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -58.5 | 132.2 | 155.6 | -60.5 | 170 | 133.6 | 0 | 0 | 110.8 | ||||
| 367 | R | 33.8 | Very low | 38.7 | Very low | 239 Ų | 239 | 169.4 Ų | 169.4 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | 173.5 | 121 | 128.4 | -100 | 174.5 | 175.6 | 176.5 | -1.5 | 111.5 | |||||
| 368 | E | 34.1 | Very low | 38.2 | Very low | 169 Ų | 169 | 172.6 Ų | 172.6 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | trans | 60.9 | 140.6 | 138.6 | -73.5 | -67 | 169.3 | 0 | 0 | 123.7 | ||||
| 369 | E | 33.7 | Very low | 37.8 | Very low | 184 Ų | 184 | 175.5 Ų | 175.5 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | 69.1 | 117.7 | 157 | -73.6 | -176.1 | 139.1 | 0 | 0 | 122.1 | ||||
| 370 | G | 31.4 | Very low | 37.6 | Very low | 73 Ų | 73 | 173.6 Ų | 173.6 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | 117.7 | 98.1 | 115 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 371 | K | 35.3 | Very low | 36.9 | Very low | 191 Ų | 191 | 171.6 Ų | 171.6 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | trans | 75.6 | 136.2 | 135 | -86.5 | 179.5 | 174.5 | 177.4 | 0 | 122.5 | ||||
| 372 | D | 38.5 | Very low | 37.1 | Very low | 131 Ų | 131 | 167.3 Ų | 167.3 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | 86.1 | 94.4 | 142.2 | -65.4 | -30.2 | 0 | 0 | 0 | 120.7 | ||||
| 373 | E | 38.4 | Very low | 37.2 | Very low | 138 Ų | 138 | 167.7 Ų | 167.7 | 65% | 0.645 | 81% | 0.807 | S | S | * | * | 34.8 | 109.8 | 109.4 | -75.4 | -139.9 | 155.2 | 0 | 0 | 118.4 | |||||
| 374 | R | 39.3 | Very low | 37.6 | Very low | 217 Ų | 217 | 164.3 Ų | 164.3 | 82% | 0.819 | 80% | 0.799 | S | S | * | * | 157.6 | 129.7 | 105.6 | -90.6 | 143.6 | -168.6 | -155 | 5.8 | 113.5 | |||||
| 375 | K | 42.2 | Very low | 38.1 | Very low | 189 Ų | 189 | 168.9 Ų | 168.9 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -1.7 | 136.1 | 143.1 | -63.1 | 172.4 | 175.9 | 172.2 | 0 | 116.2 | ||||
| 376 | R | 42.3 | Very low | 38.4 | Very low | 245 Ų | 245 | 170.4 Ų | 170.4 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | -177.8 | 139.7 | 100.9 | -94.1 | 160.9 | -174.9 | 174 | 2.2 | 112.8 | |||||
| 377 | K | 44.4 | Very low | 38.5 | Very low | 209 Ų | 209 | 170.8 Ų | 170.8 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -75.3 | 144.5 | 166.1 | -67.5 | 174.1 | 170.9 | 179.9 | 0 | 110.5 | ||||
| 378 | H | 38 | Very low | 38.9 | Very low | 160 Ų | 160 | 164.2 Ų | 164.2 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -169.9 | 114.7 | 139 | -149.9 | -98.9 | 0 | 0 | 0 | 107.7 | ||||
| 379 | R | 36.5 | Very low | 39.5 | Very low | 209 Ų | 209 | 162 Ų | 162 | 79% | 0.789 | 79% | 0.786 | S | S | * | * | 63.3 | 98.7 | 81.1 | -172.6 | -176.2 | -170.1 | -172.1 | 3.5 | 114.2 | |||||
| 380 | D | 38.4 | Very low | 39.9 | Very low | 149 Ų | 149 | 159 Ų | 159 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | 27.6 | 120.6 | 132.5 | -158.1 | 28.2 | 0 | 0 | 0 | 120.2 | ||||
| 381 | S | 32.7 | Very low | 40.6 | Very low | 96 Ų | 96 | 165 Ų | 165 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | 168.4 | 139 | 112.2 | 77.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 382 | S | 44.5 | Very low | 41.4 | Very low | 100 Ų | 100 | 164.2 Ų | 164.2 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | -8.7 | 135.4 | 158.3 | 57.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 383 | Q | 39.5 | Very low | 41.8 | Very low | 194 Ų | 194 | 162.4 Ų | 162.4 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | -168.2 | 140.4 | 116.1 | -106.3 | 171.7 | 3.3 | 0 | 0 | 113.9 | |||||
| 384 | D | 42 | Very low | 42.3 | Very low | 140 Ų | 140 | 167.5 Ų | 167.5 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | -56 | 128.4 | 172.4 | -179.1 | 28.8 | 0 | 0 | 0 | 113.5 | ||||
| 385 | R | 44.6 | Very low | 43.1 | Very low | 207 Ų | 207 | 165.8 Ų | 165.8 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | 162.5 | 146.4 | 126.9 | -86.8 | 176.6 | -178.8 | -159 | -0.8 | 113.5 | |||||
| 386 | D | 40.3 | Very low | 43.8 | Very low | 149 Ų | 149 | 161.1 Ų | 161.1 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | 75 | 92.4 | 168.9 | -59.5 | -42.7 | 0 | 0 | 0 | 118.3 | P388 | D386-P388 VanDerWaalsContact O-CD 3.29Å; D386-P388 WeakPolarHBondContact O-CD 3.34Å | ||
| 387 | K | 38.9 | Very low | 44.8 | Very low | 197 Ų | 197 | 155.4 Ų | 155.4 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | trans | -76.9 | 111.5 | 170.2 | -163.6 | -179.8 | -167.3 | -177.3 | 0 | 109.4 | ||||
| 388 | P | 42.4 | Very low | 45.8 | Very low | 102 Ų | 102 | 149 Ų | 149 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | trans | -72.5 | 152.2 | 166.7 | -7.3 | 25.4 | 0 | 0 | 0 | 109.2 | D386 V390 | D386-P388 VanDerWaalsContact O-CD 3.29Å; D386-P388 WeakPolarHBondContact O-CD 3.34Å; P388-V390 PolarHBondContact O-N 3.49Å | ||
| 389 | P | 46 | Very low | 47.4 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | trans | -61.2 | 135.1 | 179.7 | 26.9 | -32.2 | 0 | 0 | 0 | 109.3 | K391 | P389-K391 PolarHBondContact O-N 3.07Š| ||
| 390 | V | 41.7 | Very low | 49.6 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -53.2 | 109.5 | 178.1 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | P388 E392 | P388-V390 PolarHBondContact O-N 3.49Å; V390-E392 VanDerWaalsContact C-N 3.27Å; V390-E392 PolarHBondContact O-N 3.24Å | ||
| 391 | K | 45.8 | Very low | 52 | Low | 199 Ų | 199 | 133.7 Ų | 133.7 | 87% | 0.865 | 73% | 0.73 | S | S | * | * | trans | -60.2 | 99.3 | 161.2 | -93.8 | 178.6 | 174.6 | 174.5 | 0 | 105.8 | P389 A393 | P389-K391 PolarHBondContact O-N 3.07Å; K391-A393 PolarHBondContact O-N 3.02Å | ||
| 392 | E | 51.8 | Low | 54.9 | Low | 174 Ų | 174 | 130.5 Ų | 130.5 | 81% | 0.813 | 70% | 0.704 | S | S | * | * | trans | -48.3 | 118 | 160.4 | -70 | -176.4 | 161.9 | 0 | 0 | 106.7 | V390 R394 | V390-E392 VanDerWaalsContact C-N 3.27Å; V390-E392 PolarHBondContact O-N 3.24Å; E392-R394 VanDerWaalsContact C-N 3.33Å; E392-R394 PolarHBondContact O-N 3.11Å | ||
| 393 | A | 47.2 | Very low | 57.2 | Low | 93 Ų | 93 | 125.8 Ų | 125.8 | 77% | 0.769 | 67% | 0.67 | S | S | * | * | trans | -57.7 | 104.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | K391 Q395 | K391-A393 PolarHBondContact O-N 3.02Å; A393-Q395 PolarHBondContact O-N 3.27Å | ||
| 394 | R | 50.3 | Low | 59.8 | Low | 245 Ų | 245 | 119.2 Ų | 119.2 | 93% | 0.925 | 64% | 0.64 | S | S | * | * | trans | -49.3 | 110 | 171.8 | -80.6 | -178.2 | 173.1 | -170.8 | -2.8 | 106.6 | E392 A396 | E392-R394 VanDerWaalsContact C-N 3.33Å; E392-R394 PolarHBondContact O-N 3.11Å; R394-A396 PolarHBondContact O-N 3.13Å | ||
| 395 | Q | 56.5 | Low | 62.3 | Low | 182 Ų | 182 | 118.9 Ų | 118.9 | 85% | 0.85 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 138.6 | 170.9 | -67.7 | -177 | -5.4 | 0 | 0 | 107.4 | A393 | A393-Q395 PolarHBondContact O-N 3.27Š|
| 396 | A | 56.7 | Low | 64.6 | Low | 90 Ų | 90 | 110.9 Ų | 110.9 | 74% | 0.744 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 135.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | R394 A398 | R394-A396 PolarHBondContact O-N 3.13Å; A396-A398 PolarHBondContact O-N 3.08Å |
| 397 | P | 61.9 | Low | 67.2 | Low | 125 Ų | 125 | 103.8 Ų | 103.8 | 81% | 0.812 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 132.1 | -179.1 | 21.5 | -31.2 | 0 | 0 | 0 | 109.2 | ||
| 398 | A | 66.6 | Low | 69.9 | Low | 76 Ų | 76 | 97 Ų | 97 | 63% | 0.628 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -55 | 143.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | A396 F435 | A396-A398 PolarHBondContact O-N 3.08Å; A398-F435 HydrophobicContact CB-CZ 4.49Å |
| 399 | P | 72.1 | Confident | 72.4 | Confident | 82 Ų | 82 | 92.1 Ų | 92.1 | 53% | 0.532 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 146.6 | 179 | 24 | -33.1 | 0 | 0 | 0 | 110.3 | S401 F435 | P399-S401 PolarHBondContact O-N 3.36Å; P399-F435 HydrophobicContact CG-CE1 4.05Å; P399-F435 HydrophobicContact CG-CZ 4.22Å; P399-F435 WeakPolarHBondContact O-CE1 3.22Å; P399-F435 WeakPolarHBondContact O-CZ 3.33Å |
| 400 | P | 82.5 | Confident | 74.8 | Confident | 91 Ų | 91 | 90.3 Ų | 90.3 | 59% | 0.591 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 132 | -178.9 | 25.4 | -32.7 | 0 | 0 | 0 | 110.9 | Q452 L471 | P400-Q452 PolarHBondContact O-NE2 3.19Å; P400-L471 HydrophobicContact CB-CD2 3.83Å; P400-L471 HydrophobicContact CG-CD2 4.13Å |
| 401 | S | 89 | Confident | 77.3 | Confident | 23 Ų | 23 | 84.5 Ų | 84.5 | 16% | 0.161 | 44% | 0.444 | C | S | . | . | trans | -82.8 | 114.3 | 175.8 | 161.6 | 0 | 0 | 0 | 0 | 109.9 | P399 P434 R475 | P399-S401 PolarHBondContact O-N 3.36Å; S401-P434 VanDerWaalsContact CB-O 3.3Å; S401-P434 WeakPolarHBondContact CB-O 3.32Å; S401-P434 PolarHBondContact OG-O 2.71Å; S401-R475 PolarHBondContact O-NE 2.76Å; S401-R475 PolarHBondContact O-NH2 3.13Å; S401-R475 PolarHBondContact OG-NH2 2.74Å | ||
| 402 | W | 93.1 | Very high | 79.7 | Confident | 29 Ų | 29 | 78.3 Ų | 78.3 | 11% | 0.11 | 42% | 0.419 | C | S | . | . | trans | -105 | -11.8 | 178.2 | 65.5 | -110 | 0 | 0 | 0 | 113 | Q404 L407 V409 Q452 L455 T457 V470 L471 | W402-Q404 PolarHBondContact O-N 3.39Å; W402-L407 HydrophobicContact CE3-CD1 4.45Å; W402-L407 HydrophobicContact CZ3-CD1 4.41Å; W402-V409 HydrophobicContact CH2-CG1 4.15Å; W402-V409 HydrophobicContact CZ3-CG1 4.03Å; W402-Q452 HydrophobicContact CD2-CG 4.08Å; W402-Q452 HydrophobicContact CG-CG 4.25Å; W402-Q452 HydrophobicContact CZ2-CG 3.77Å; W402-Q452 VanDerWaalsContact N-OE1 3.09Å; W402-Q452 VanDerWaalsContact NE1-CD 3.32Å; W402-L455 HydrophobicContact CH2-CB 3.78Å; W402-L455 HydrophobicContact CZ2-CB 4.12Å; W402-T457 HydrophobicContact CD2-CG2 4.41Å; W402-T457 HydrophobicContact CE3-CG2 4.01Å; W402-T457 HydrophobicContact CH2-CG2 4.17Å; W402-T457 HydrophobicContact CZ3-CG2 3.89Å; W402-V470 WeakPolarHBondContact CA-O 3.47Å; W402-V470 HydrophobicContact CB-CB 3.91Å; W402-V470 HydrophobicContact CB-CG2 4.04Å; W402-V470 WeakPolarHBondContact O-CB 3.33Å; W402-L471 HydrophobicContact CB-CD1 4.45Å; W402-L471 HydrophobicContact CB-CD2 3.74Å; W402-L471 HydrophobicContact CB-CG 3.81Å | ||
| 403 | L | 93.3 | Very high | 81.6 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 39% | 0.391 | C | S | . | . | trans | -62.5 | 126.9 | -177.4 | -164.1 | 74.1 | 0 | 0 | 0 | 111.5 | V428 V431 T436 C437 L455 | L403-V428 HydrophobicContact CD1-CG2 4.41Å; L403-V431 HydrophobicContact CD2-CB 4.44Å; L403-V431 HydrophobicContact CD2-CG1 3.74Å; L403-V431 HydrophobicContact CD2-CG2 4.07Å; L403-V431 HydrophobicContact CG-CG1 4.27Å; L403-V431 HydrophobicContact CG-CG2 3.95Å; L403-T436 VanDerWaalsContact CD2-C 3.49Å; L403-C437 HydrophobicContact CD1-CB 4.05Å; L403-C437 HydrophobicContact CD2-CB 3.53Å; L403-C437 HydrophobicContact CG-CB 4.09Å; L403-L455 HydrophobicContact CD1-CD1 3.91Å | ||
| 404 | Q | 93.3 | Very high | 83.7 | Confident | 56 Ų | 56 | 74 Ų | 74 | 26% | 0.262 | 38% | 0.383 | S | S | . | . | trans | -139.1 | 159.9 | 175 | -69.2 | -63.3 | -61.4 | 0 | 0 | 110.2 | W402 L407 V428 M468 R475 | W402-Q404 PolarHBondContact O-N 3.39Å; Q404-L407 HydrophobicContact CB-CD1 3.89Å; Q404-L407 HydrophobicContact CB-CG 4.1Å; Q404-L407 WeakPolarHBondContact O-CG 3.47Å; Q404-V428 WeakPolarHBondContact O-CB 3.39Å; Q404-V428 VanDerWaalsContact O-CG1 3.27Å; Q404-V428 WeakPolarHBondContact O-CG1 3.36Å; Q404-M468 HydrophobicContact CB-SD 3.81Å; Q404-M468 HydrophobicContact CG-SD 4.04Å; Q404-R475 VanDerWaalsContact NE2-NH2 3.14Å | ||
| 405 | R | 93.4 | Very high | 85.5 | Confident | 134 Ų | 134 | 66.2 Ų | 66.2 | 51% | 0.506 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | 154.2 | 176.4 | -62 | -177.9 | 67.1 | -178.2 | 0.1 | 110.5 | L407 E429 D430 V431 | R405-L407 PolarHBondContact O-N 3.2Å; R405-L407 VanDerWaalsContact O-N 3.16Å; R405-E429 PolarHBondContact NE-O 2.88Å; R405-E429 PolarHBondContact NH2-O 3.41Å; R405-D430 IonicContact CZ-OD1 3.84Å; R405-D430 IonicContact NE-OD1 2.7Å; R405-V431 HydrophobicContact CG-CB 4.48Å; R405-V431 HydrophobicContact CG-CG2 3.99Å |
| 406 | D | 93.9 | Very high | 87 | Confident | 38 Ų | 38 | 59.1 Ų | 59.1 | 20% | 0.203 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 17.9 | 176.1 | -56.9 | -53.3 | 0 | 0 | 0 | 116.2 | R427 V428 Y513 V514 | D406-R427 IonicContact OD1-CZ 2.68Å; D406-R427 IonicContact OD1-NE 3.96Å; D406-R427 PolarHBondContact OD1-NE 3.45Å; D406-R427 IonicContact OD1-NH2 2.74Å; D406-R427 PolarHBondContact OD1-NH2 3.45Å; D406-V428 WeakPolarHBondContact CA-O 3.33Å; D406-V428 PolarHBondContact N-O 3.42Å; D406-Y513 HydrophobicContact CB-CD2 4.21Å; D406-Y513 HydrophobicContact CB-CE2 3.73Å; D406-V514 PolarHBondContact O-N 2.74Å |
| 407 | L | 95 | Very high | 88.4 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 140 | 171.3 | -63.1 | -175.1 | 0 | 0 | 0 | 111.4 | W402 Q404 R405 V409 R427 V428 M468 V470 C511 H512 Y513 | W402-L407 HydrophobicContact CE3-CD1 4.45Å; W402-L407 HydrophobicContact CZ3-CD1 4.41Å; Q404-L407 HydrophobicContact CB-CD1 3.89Å; Q404-L407 HydrophobicContact CB-CG 4.1Å; Q404-L407 WeakPolarHBondContact O-CG 3.47Å; R405-L407 PolarHBondContact O-N 3.2Å; R405-L407 VanDerWaalsContact O-N 3.16Å; L407-V409 HydrophobicContact CB-CG1 4.17Å; L407-R427 CarbonylContact O-C 3.51Å; L407-R427 WeakPolarHBondContact O-CA 3.24Å; L407-V428 HydrophobicContact CB-CB 4.47Å; L407-V428 HydrophobicContact CB-CG2 4.22Å; L407-V428 PolarHBondContact O-N 2.87Å; L407-M468 HydrophobicContact CD2-CB 3.86Å; L407-M468 HydrophobicContact CD2-CG 4.38Å; L407-M468 HydrophobicContact CD2-SD 3.96Å; L407-V470 HydrophobicContact CD1-CG1 3.67Å; L407-V470 HydrophobicContact CD2-CG1 4.32Å; L407-C511 HydrophobicContact CD1-CB 4.22Å; L407-C511 HydrophobicContact CD2-CB 4.02Å; L407-H512 CarbonylContact C-O 3.5Å; L407-H512 WeakPolarHBondContact CA-O 3.46Å; L407-Y513 HydrophobicContact CD2-CD2 4.47Å |
| 408 | K | 94.9 | Very high | 89.4 | Confident | 54 Ų | 54 | 57.9 Ų | 57.9 | 24% | 0.235 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 113.8 | 167.1 | -166.1 | 166.5 | -173.3 | 162.7 | 0 | 109.6 | M426 E442 I458 C511 H512 V514 | K408-M426 CarbonylContact C-O 3.55Å; K408-M426 WeakPolarHBondContact CA-O 3.21Å; K408-E442 IonicContact NZ-OE1 3.37Å; K408-E442 PolarHBondContact NZ-OE1 2.82Å; K408-E442 VanDerWaalsContact NZ-OE1 3.14Å; K408-I458 HydrophobicContact CG-CD1 4.37Å; K408-I458 WeakPolarHBondContact O-CB 3.28Å; K408-C511 PolarHBondContact O-SG 2.87Å; K408-H512 HydrophobicContact CB-CB 4.07Å; K408-H512 PolarHBondContact N-O 2.64Å; K408-V514 HydrophobicContact CB-CG2 3.75Å; K408-V514 HydrophobicContact CD-CG2 4.31Å |
| 409 | V | 95.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 158.1 | -173.2 | -66.7 | 0 | 0 | 0 | 0 | 111 | W402 L407 K425 M426 V428 L455 E456 I458 | W402-V409 HydrophobicContact CH2-CG1 4.15Å; W402-V409 HydrophobicContact CZ3-CG1 4.03Å; L407-V409 HydrophobicContact CB-CG1 4.17Å; V409-K425 WeakPolarHBondContact O-CA 3.24Å; V409-M426 HydrophobicContact CG2-CB 4.3Å; V409-M426 PolarHBondContact N-O 3.46Å; V409-M426 PolarHBondContact O-N 2.9Å; V409-V428 HydrophobicContact CG1-CG2 4.02Å; V409-V428 HydrophobicContact CG2-CG2 3.89Å; V409-L455 HydrophobicContact CB-CB 4.37Å; V409-L455 HydrophobicContact CB-CD2 4.3Å; V409-L455 HydrophobicContact CG2-CD1 4.04Å; V409-L455 HydrophobicContact CG2-CD2 3.74Å; V409-L455 HydrophobicContact CG2-CG 4.35Å; V409-E456 WeakPolarHBondContact CA-O 3.15Å; V409-I458 WeakPolarHBondContact O-CD1 3.39Å |
| 410 | R | 95.5 | Very high | 91.2 | Very high | 84 Ų | 84 | 59.7 Ų | 59.7 | 32% | 0.317 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 131.5 | 171.6 | 178.1 | 179.5 | -68.6 | -153.1 | 7.3 | 109 | I412 N423 L455 E456 I458 | R410-I412 HydrophobicContact CG-CG2 4.24Å; R410-N423 WeakPolarHBondContact CD-OD1 3.07Å; R410-N423 VanDerWaalsContact CZ-OD1 3.26Å; R410-N423 PolarHBondContact NE-OD1 2.99Å; R410-N423 PolarHBondContact NH1-OD1 3.42Å; R410-L455 CarbonylContact O-C 3.56Å; R410-L455 WeakPolarHBondContact O-CA 3.11Å; R410-E456 HydrophobicContact CB-CB 4.27Å; R410-E456 WeakPolarHBondContact CD-OE2 3.41Å; R410-E456 PolarHBondContact N-O 3.22Å; R410-E456 PolarHBondContact O-N 3.31Å; R410-I458 HydrophobicContact CB-CD1 3.87Å; R410-I458 HydrophobicContact CB-CG1 3.88Å |
| 411 | F | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 126.1 | 176.1 | -163.8 | -84.5 | 0 | 0 | 0 | 110 | D413 F416 Y421 N423 S424 M426 V450 M454 L455 | F411-D413 HydrophobicContact CE1-CB 3.69Å; F411-D413 WeakPolarHBondContact CE1-O 3.32Å; F411-D413 HydrophobicContact CZ-CB 4.02Å; F411-F416 HydrophobicContact CE1-CB 3.71Å; F411-F416 AromaticContact CE1-CD1 3.93Å; F411-F416 HydrophobicContact CE1-CD1 3.93Å; F411-F416 HydrophobicContact CE1-CG 4.11Å; F411-F416 HydrophobicContact CE2-CD1 4.06Å; F411-F416 HydrophobicContact CE2-CE1 4.35Å; F411-F416 HydrophobicContact CE2-CG 4.44Å; F411-F416 HydrophobicContact CZ-CB 3.52Å; F411-F416 AromaticContact CZ-CD1 3.35Å; F411-F416 HydrophobicContact CZ-CD1 3.35Å; F411-F416 HydrophobicContact CZ-CD2 4.31Å; F411-F416 HydrophobicContact CZ-CE1 4.07Å; F411-F416 AromaticContact CZ-CG 3.49Å; F411-F416 HydrophobicContact CZ-CG 3.49Å; F411-F416 VanDerWaalsContact CZ-CG 3.49Å; F411-Y421 WeakPolarHBondContact CB-O 3.41Å; F411-N423 VanDerWaalsContact O-CA 3.24Å; F411-N423 WeakPolarHBondContact O-CA 3.27Å; F411-N423 PolarHBondContact O-N 2.99Å; F411-S424 PolarHBondContact N-O 2.7Å; F411-M426 HydrophobicContact CB-CE 3.98Å; F411-M426 HydrophobicContact CB-SD 4.09Å; F411-M426 HydrophobicContact CD2-CE 4.22Å; F411-M426 HydrophobicContact CD2-SD 3.94Å; F411-M426 HydrophobicContact CG-CE 4.13Å; F411-M426 HydrophobicContact CG-SD 4.3Å; F411-V450 HydrophobicContact CD2-CG1 4.23Å; F411-V450 HydrophobicContact CE2-CG1 3.77Å; F411-V450 HydrophobicContact CE2-CG2 4.26Å; F411-M454 HydrophobicContact CE2-CB 4.01Å; F411-M454 HydrophobicContact CZ-CB 4Å; F411-M454 HydrophobicContact CZ-SD 4.37Å; F411-L455 HydrophobicContact CB-CD2 4.44Å; F411-L455 HydrophobicContact CD2-CD2 3.71Å; F411-L455 HydrophobicContact CE2-CD2 4.42Å; F411-L455 HydrophobicContact CG-CD2 4.47Å |
| 412 | I | 94.9 | Very high | 91.7 | Very high | 68 Ų | 68 | 60.2 Ų | 60.2 | 35% | 0.349 | 30% | 0.298 | S | S | . | . | trans | -118 | -6 | -171.9 | 58.9 | 163.8 | 0 | 0 | 0 | 114.1 | R410 Y422 M454 E456 | R410-I412 HydrophobicContact CG-CG2 4.24Å; I412-Y422 VanDerWaalsContact O-CD2 3.24Å; I412-Y422 WeakPolarHBondContact O-CD2 3.48Å; I412-Y422 WeakPolarHBondContact O-CE2 3.3Å; I412-M454 VanDerWaalsContact CG1-C 3.49Å; I412-M454 VanDerWaalsContact CG1-O 3.28Å; I412-M454 WeakPolarHBondContact CG1-O 3.31Å; I412-M454 PolarHBondContact N-O 3.36Å; I412-E456 HydrophobicContact CG2-CB 3.77Å | ||
| 413 | D | 92.7 | Very high | 91.7 | Very high | 42 Ų | 42 | 62.9 Ų | 62.9 | 23% | 0.225 | 31% | 0.314 | C | S | . | . | trans | -79.3 | 128.9 | 178.8 | -172.6 | 14.4 | 0 | 0 | 0 | 111.8 | F411 A415 F416 M454 | F411-D413 HydrophobicContact CE1-CB 3.69Å; F411-D413 WeakPolarHBondContact CE1-O 3.32Å; F411-D413 HydrophobicContact CZ-CB 4.02Å; D413-A415 PolarHBondContact OD1-N 3.27Å; D413-F416 HydrophobicContact CB-CB 4.18Å; D413-F416 WeakPolarHBondContact OD2-CB 3.5Å; D413-F416 PolarHBondContact OD2-N 3.29Å; D413-M454 HydrophobicContact CB-CB 3.92Å; D413-M454 HydrophobicContact CB-CG 3.85Å | ||
| 414 | K | 92 | Very high | 91.7 | Very high | 135 Ų | 135 | 65 Ų | 65 | 59% | 0.587 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -87.6 | -22.3 | 176.7 | -66.5 | 179.9 | -178.5 | 177.2 | 0 | 112.4 | G419 Y422 | K414-G419 WeakPolarHBondContact O-CA 3.37Å; K414-G419 PolarHBondContact O-N 2.97Å; K414-G419 VanDerWaalsContact O-N 3.11Å; K414-Y422 HydrophobicContact CB-CD2 4.34Å; K414-Y422 HydrophobicContact CD-CD2 4.31Å; K414-Y422 HydrophobicContact CD-CE2 4.02Å; K414-Y422 VanDerWaalsContact CE-OH 3.24Å; K414-Y422 WeakPolarHBondContact CE-OH 3.49Å; K414-Y422 HydrophobicContact CG-CD1 4.45Å; K414-Y422 HydrophobicContact CG-CD2 3.27Å; K414-Y422 HydrophobicContact CG-CE2 3.41Å; K414-Y422 VanDerWaalsContact CG-CE2 3.41Å; K414-Y422 HydrophobicContact CG-CG 3.83Å |
| 415 | A | 87.9 | Confident | 91.8 | Very high | 82 Ų | 82 | 67 Ų | 67 | 68% | 0.678 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -83 | -32.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D413 K417 G418 | D413-A415 PolarHBondContact OD1-N 3.27Å; A415-K417 PolarHBondContact O-N 3.37Å; A415-G418 PolarHBondContact O-N 3.04Å |
| 416 | F | 87.2 | Confident | 91.8 | Very high | 33 Ų | 33 | 60.7 Ų | 60.7 | 15% | 0.145 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -61 | 125.3 | -178 | -169.1 | -100.4 | 0 | 0 | 0 | 112.7 | F411 D413 G418 G419 Y421 L447 V450 M454 | F411-F416 HydrophobicContact CE1-CB 3.71Å; F411-F416 AromaticContact CE1-CD1 3.93Å; F411-F416 HydrophobicContact CE1-CD1 3.93Å; F411-F416 HydrophobicContact CE1-CG 4.11Å; F411-F416 HydrophobicContact CE2-CD1 4.06Å; F411-F416 HydrophobicContact CE2-CE1 4.35Å; F411-F416 HydrophobicContact CE2-CG 4.44Å; F411-F416 HydrophobicContact CZ-CB 3.52Å; F411-F416 AromaticContact CZ-CD1 3.35Å; F411-F416 HydrophobicContact CZ-CD1 3.35Å; F411-F416 HydrophobicContact CZ-CD2 4.31Å; F411-F416 HydrophobicContact CZ-CE1 4.07Å; F411-F416 AromaticContact CZ-CG 3.49Å; F411-F416 HydrophobicContact CZ-CG 3.49Å; F411-F416 VanDerWaalsContact CZ-CG 3.49Å; D413-F416 HydrophobicContact CB-CB 4.18Å; D413-F416 WeakPolarHBondContact OD2-CB 3.5Å; D413-F416 PolarHBondContact OD2-N 3.29Å; F416-G418 PolarHBondContact O-N 3.46Å; F416-G419 PolarHBondContact O-N 2.7Å; F416-Y421 HydrophobicContact CD1-CD2 4.37Å; F416-L447 HydrophobicContact CE1-CD1 4.48Å; F416-V450 HydrophobicContact CZ-CG2 4.27Å; F416-M454 HydrophobicContact CD2-CE 4.37Å; F416-M454 HydrophobicContact CD2-SD 4.13Å |
| 417 | K | 85.8 | Confident | 91.9 | Very high | 113 Ų | 113 | 63.6 Ų | 63.6 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | 46.2 | 37.9 | -179.8 | -64.1 | -175.5 | 178.6 | -174.9 | 0 | 113.3 | A415 G419 Y421 L447 | A415-K417 PolarHBondContact O-N 3.37Å; K417-G419 VanDerWaalsContact C-N 3.34Å; K417-G419 PolarHBondContact O-N 3.26Å; K417-Y421 HydrophobicContact CB-CD2 4.12Å; K417-Y421 HydrophobicContact CB-CE2 4.02Å; K417-Y421 HydrophobicContact CD-CD2 4.25Å; K417-Y421 HydrophobicContact CD-CE2 3.67Å; K417-Y421 HydrophobicContact CG-CE2 4.43Å; K417-L447 HydrophobicContact CD-CD2 4.03Å |
| 418 | G | 83.8 | Confident | 91.9 | Very high | 75 Ų | 75 | 63.6 Ų | 63.6 | 77% | 0.773 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | 71 | 25.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A415 F416 R420 | A415-G418 PolarHBondContact O-N 3.04Å; F416-G418 PolarHBondContact O-N 3.46Å; G418-R420 PolarHBondContact O-N 3.06Å |
| 419 | G | 87.2 | Confident | 91.9 | Very high | 23 Ų | 23 | 63.7 Ų | 63.7 | 24% | 0.237 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | 75.4 | 5.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K414 F416 K417 Y421 Y422 | K414-G419 WeakPolarHBondContact O-CA 3.37Å; K414-G419 PolarHBondContact O-N 2.97Å; K414-G419 VanDerWaalsContact O-N 3.11Å; F416-G419 PolarHBondContact O-N 2.7Å; K417-G419 VanDerWaalsContact C-N 3.34Å; K417-G419 PolarHBondContact O-N 3.26Å; G419-Y421 PolarHBondContact O-N 3.04Å; G419-Y421 VanDerWaalsContact O-N 3.07Å; G419-Y422 VanDerWaalsContact O-CB 3.27Å; G419-Y422 WeakPolarHBondContact O-CB 3.41Å; G419-Y422 PolarHBondContact O-N 3.22Å |
| 420 | R | 87.8 | Confident | 91.7 | Very high | 174 Ų | 174 | 66.7 Ų | 66.7 | 66% | 0.657 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -33.6 | 179.9 | -177.4 | -177.3 | -63.5 | 176.3 | -0.8 | 113.3 | G418 | G418-R420 PolarHBondContact O-N 3.06Š|
| 421 | Y | 89.8 | Confident | 91.6 | Very high | 18 Ų | 18 | 64.5 Ų | 64.5 | 7% | 0.071 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 3.6 | -174.8 | -62.1 | -65.9 | 0 | 0 | 0 | 113.4 | F411 F416 K417 G419 N423 S424 M426 T441 L447 | F411-Y421 WeakPolarHBondContact CB-O 3.41Å; F416-Y421 HydrophobicContact CD1-CD2 4.37Å; K417-Y421 HydrophobicContact CB-CD2 4.12Å; K417-Y421 HydrophobicContact CB-CE2 4.02Å; K417-Y421 HydrophobicContact CD-CD2 4.25Å; K417-Y421 HydrophobicContact CD-CE2 3.67Å; K417-Y421 HydrophobicContact CG-CE2 4.43Å; G419-Y421 PolarHBondContact O-N 3.04Å; G419-Y421 VanDerWaalsContact O-N 3.07Å; Y421-N423 PolarHBondContact O-N 2.95Å; Y421-S424 WeakPolarHBondContact O-CB 3.22Å; Y421-S424 PolarHBondContact O-N 2.84Å; Y421-S424 VanDerWaalsContact O-N 3.08Å; Y421-S424 PolarHBondContact O-OG 3.15Å; Y421-M426 VanDerWaalsContact CB-CE 3.47Å; Y421-M426 HydrophobicContact CD1-CE 3.51Å; Y421-M426 HydrophobicContact CE1-CE 4.48Å; Y421-M426 HydrophobicContact CG-CE 3.64Å; Y421-T441 HydrophobicContact CD1-CG2 4.12Å; Y421-T441 HydrophobicContact CE1-CG2 3.81Å; Y421-L447 HydrophobicContact CD1-CD1 4.13Å; Y421-L447 HydrophobicContact CD2-CD1 4.1Å; Y421-L447 HydrophobicContact CD2-CD2 4.42Å; Y421-L447 HydrophobicContact CE1-CD1 4.26Å; Y421-L447 HydrophobicContact CE2-CD1 4.24Å; Y421-L447 HydrophobicContact CE2-CD2 3.82Å; Y421-L447 HydrophobicContact CG-CD1 4.05Å |
| 422 | Y | 93.3 | Very high | 91.4 | Very high | 106 Ų | 106 | 69 Ų | 69 | 42% | 0.416 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 133.9 | -180 | 179.2 | -103.2 | 0 | 0 | 0 | 110.9 | I412 K414 G419 S424 | I412-Y422 VanDerWaalsContact O-CD2 3.24Å; I412-Y422 WeakPolarHBondContact O-CD2 3.48Å; I412-Y422 WeakPolarHBondContact O-CE2 3.3Å; K414-Y422 HydrophobicContact CB-CD2 4.34Å; K414-Y422 HydrophobicContact CD-CD2 4.31Å; K414-Y422 HydrophobicContact CD-CE2 4.02Å; K414-Y422 VanDerWaalsContact CE-OH 3.24Å; K414-Y422 WeakPolarHBondContact CE-OH 3.49Å; K414-Y422 HydrophobicContact CG-CD1 4.45Å; K414-Y422 HydrophobicContact CG-CD2 3.27Å; K414-Y422 HydrophobicContact CG-CE2 3.41Å; K414-Y422 VanDerWaalsContact CG-CE2 3.41Å; K414-Y422 HydrophobicContact CG-CG 3.83Å; G419-Y422 VanDerWaalsContact O-CB 3.27Å; G419-Y422 WeakPolarHBondContact O-CB 3.41Å; G419-Y422 PolarHBondContact O-N 3.22Å; Y422-S424 PolarHBondContact O-N 2.89Å; Y422-S424 VanDerWaalsContact O-N 3.13Å |
| 423 | N | 92.3 | Very high | 91.1 | Very high | 85 Ų | 85 | 69 Ų | 69 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 17 | -177.3 | -160.2 | 19.9 | 0 | 0 | 0 | 115 | R410 F411 Y421 | R410-N423 WeakPolarHBondContact CD-OD1 3.07Å; R410-N423 VanDerWaalsContact CZ-OD1 3.26Å; R410-N423 PolarHBondContact NE-OD1 2.99Å; R410-N423 PolarHBondContact NH1-OD1 3.42Å; F411-N423 VanDerWaalsContact O-CA 3.24Å; F411-N423 WeakPolarHBondContact O-CA 3.27Å; F411-N423 PolarHBondContact O-N 2.99Å; Y421-N423 PolarHBondContact O-N 2.95Å |
| 424 | S | 93.6 | Very high | 90.9 | Very high | 45 Ų | 45 | 70.5 Ų | 70.5 | 32% | 0.315 | 37% | 0.374 | S | S | . | . | trans | -87.9 | 146.4 | 177.5 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | F411 Y421 Y422 | F411-S424 PolarHBondContact N-O 2.7Å; Y421-S424 WeakPolarHBondContact O-CB 3.22Å; Y421-S424 PolarHBondContact O-N 2.84Å; Y421-S424 VanDerWaalsContact O-N 3.08Å; Y421-S424 PolarHBondContact O-OG 3.15Å; Y422-S424 PolarHBondContact O-N 2.89Å; Y422-S424 VanDerWaalsContact O-N 3.13Å | ||
| 425 | K | 94.7 | Very high | 90.8 | Very high | 98 Ų | 98 | 67.4 Ų | 67.4 | 43% | 0.426 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 141.6 | 174.7 | -59.5 | 178.7 | -171 | 165.1 | 0 | 109.9 | V409 I458 | V409-K425 WeakPolarHBondContact O-CA 3.24Å; K425-I458 HydrophobicContact CB-CD1 4.36Å; K425-I458 HydrophobicContact CD-CD1 4.36Å; K425-I458 HydrophobicContact CG-CD1 3.89Å |
| 426 | M | 94.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 158 | -179 | -59.7 | -175.4 | 177 | 0 | 0 | 110.4 | K408 V409 F411 Y421 C439 R440 T441 L447 | K408-M426 CarbonylContact C-O 3.55Å; K408-M426 WeakPolarHBondContact CA-O 3.21Å; V409-M426 HydrophobicContact CG2-CB 4.3Å; V409-M426 PolarHBondContact N-O 3.46Å; V409-M426 PolarHBondContact O-N 2.9Å; F411-M426 HydrophobicContact CB-CE 3.98Å; F411-M426 HydrophobicContact CB-SD 4.09Å; F411-M426 HydrophobicContact CD2-CE 4.22Å; F411-M426 HydrophobicContact CD2-SD 3.94Å; F411-M426 HydrophobicContact CG-CE 4.13Å; F411-M426 HydrophobicContact CG-SD 4.3Å; Y421-M426 VanDerWaalsContact CB-CE 3.47Å; Y421-M426 HydrophobicContact CD1-CE 3.51Å; Y421-M426 HydrophobicContact CE1-CE 4.48Å; Y421-M426 HydrophobicContact CG-CE 3.64Å; M426-C439 HydrophobicContact CB-CB 4.18Å; M426-C439 HydrophobicContact SD-CB 4.01Å; M426-R440 WeakPolarHBondContact CA-O 3.27Å; M426-T441 HydrophobicContact CE-CG2 3.9Å; M426-T441 HydrophobicContact SD-CG2 4.42Å; M426-L447 HydrophobicContact CE-CD1 3.34Å; M426-L447 HydrophobicContact SD-CD1 3.57Å; M426-L447 VanDerWaalsContact SD-CD1 3.57Å |
| 427 | R | 95.2 | Very high | 91.4 | Very high | 98 Ų | 98 | 63.2 Ų | 63.2 | 37% | 0.37 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 131.8 | 171.3 | 178.4 | 177.6 | 174 | 171.1 | 0.5 | 109.3 | D406 L407 E429 C439 R440 V514 | D406-R427 IonicContact OD1-CZ 2.68Å; D406-R427 IonicContact OD1-NE 3.96Å; D406-R427 PolarHBondContact OD1-NE 3.45Å; D406-R427 IonicContact OD1-NH2 2.74Å; D406-R427 PolarHBondContact OD1-NH2 3.45Å; L407-R427 CarbonylContact O-C 3.51Å; L407-R427 WeakPolarHBondContact O-CA 3.24Å; R427-E429 PolarHBondContact O-N 3.01Å; R427-C439 CarbonylContact O-C 3.51Å; R427-C439 WeakPolarHBondContact O-CA 3.15Å; R427-R440 PolarHBondContact N-O 3.14Å; R427-R440 PolarHBondContact O-N 2.98Å; R427-V514 PolarHBondContact NH2-O 2.63Å |
| 428 | V | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 118.4 | 169.8 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | L403 Q404 D406 L407 V409 V431 C437 | L403-V428 HydrophobicContact CD1-CG2 4.41Å; Q404-V428 WeakPolarHBondContact O-CB 3.39Å; Q404-V428 VanDerWaalsContact O-CG1 3.27Å; Q404-V428 WeakPolarHBondContact O-CG1 3.36Å; D406-V428 WeakPolarHBondContact CA-O 3.33Å; D406-V428 PolarHBondContact N-O 3.42Å; L407-V428 HydrophobicContact CB-CB 4.47Å; L407-V428 HydrophobicContact CB-CG2 4.22Å; L407-V428 PolarHBondContact O-N 2.87Å; V409-V428 HydrophobicContact CG1-CG2 4.02Å; V409-V428 HydrophobicContact CG2-CG2 3.89Å; V428-V431 HydrophobicContact CG1-CG2 3.93Å; V428-C437 HydrophobicContact CG1-CB 3.76Å |
| 429 | E | 94.1 | Very high | 92.4 | Very high | 57 Ų | 57 | 55 Ų | 55 | 27% | 0.266 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -44.3 | -179 | -173.6 | 165.6 | 171.1 | 0 | 0 | 111.2 | R405 R427 V438 R440 L446 | R405-E429 PolarHBondContact NE-O 2.88Å; R405-E429 PolarHBondContact NH2-O 3.41Å; R427-E429 PolarHBondContact O-N 3.01Å; E429-V438 PolarHBondContact N-O 3.36Å; E429-R440 IonicContact OE1-CZ 3.8Å; E429-R440 IonicContact OE1-NE 2.96Å; E429-R440 IonicContact OE1-NH2 3.2Å; E429-R440 PolarHBondContact OE1-NH2 3.43Å; E429-R440 IonicContact OE2-CZ 2.81Å; E429-R440 IonicContact OE2-NE 3.63Å; E429-R440 PolarHBondContact OE2-NE 3.02Å; E429-R440 IonicContact OE2-NH2 3.54Å; E429-R440 PolarHBondContact OE2-NH2 3.31Å; E429-L446 WeakPolarHBondContact OE2-CD2 3.12Å |
| 430 | D | 92.8 | Very high | 92.8 | Very high | 63 Ų | 63 | 59.1 Ų | 59.1 | 34% | 0.337 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 154.4 | 177.5 | -161.2 | 18.2 | 0 | 0 | 0 | 112.4 | R405 C437 V438 | R405-D430 IonicContact CZ-OD1 3.84Å; R405-D430 IonicContact NE-OD1 2.7Å; D430-C437 CarbonylContact O-C 3.46Å; D430-C437 VanDerWaalsContact O-CA 3.23Å; D430-C437 WeakPolarHBondContact O-CA 3.5Å; D430-C437 WeakPolarHBondContact O-CB 3Å; D430-V438 HydrophobicContact CB-CB 4.49Å; D430-V438 PolarHBondContact N-O 3.37Å; D430-V438 PolarHBondContact O-N 2.99Å |
| 431 | V | 92.7 | Very high | 93.1 | Very high | 38 Ų | 38 | 51.4 Ų | 51.4 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 104 | 179.9 | 178 | 0 | 0 | 0 | 0 | 108.2 | L403 R405 V428 T433 C437 | L403-V431 HydrophobicContact CD2-CB 4.44Å; L403-V431 HydrophobicContact CD2-CG1 3.74Å; L403-V431 HydrophobicContact CD2-CG2 4.07Å; L403-V431 HydrophobicContact CG-CG1 4.27Å; L403-V431 HydrophobicContact CG-CG2 3.95Å; R405-V431 HydrophobicContact CG-CB 4.48Å; R405-V431 HydrophobicContact CG-CG2 3.99Å; V428-V431 HydrophobicContact CG1-CG2 3.93Å; V431-T433 WeakPolarHBondContact CG1-O 3.43Å; V431-C437 HydrophobicContact CG2-CB 4.49Å |
| 432 | L | 90.9 | Very high | 93.1 | Very high | 95 Ų | 95 | 57.2 Ų | 57.2 | 50% | 0.497 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -41.8 | -176.5 | -59.6 | 176.6 | 0 | 0 | 0 | 111.8 | T436 V438 | L432-T436 PolarHBondContact N-O 3.41Å; L432-V438 HydrophobicContact CD1-CG2 3.98Å; L432-V438 HydrophobicContact CD2-CG2 4.42Å; L432-V438 HydrophobicContact CG-CG2 4.13Å |
| 433 | T | 88.4 | Confident | 92.8 | Very high | 66 Ų | 66 | 58.8 Ų | 58.8 | 41% | 0.405 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 165.2 | 174.4 | 78.1 | 0 | 0 | 0 | 0 | 109 | V431 F435 T436 | V431-T433 WeakPolarHBondContact CG1-O 3.43Å; T433-F435 PolarHBondContact O-N 2.68Å; T433-F435 PolarHBondContact OG1-N 3.06Å; T433-T436 WeakPolarHBondContact CB-OG1 3.36Å; T433-T436 WeakPolarHBondContact CG2-OG1 3.41Å; T433-T436 PolarHBondContact N-O 3.46Å; T433-T436 VanDerWaalsContact N-O 3.17Å; T433-T436 PolarHBondContact N-OG1 3.47Å; T433-T436 PolarHBondContact O-N 3.26Å; T433-T436 WeakPolarHBondContact OG1-CB 3.24Å; T433-T436 PolarHBondContact OG1-N 3.01Å; T433-T436 VanDerWaalsContact OG1-N 3.17Å; T433-T436 PolarHBondContact OG1-OG1 3.11Å |
| 434 | P | 88 | Confident | 92.6 | Very high | 75 Ų | 75 | 57 Ų | 57 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -19.6 | 179.4 | -27.1 | 35.6 | 0 | 0 | 0 | 114.8 | S401 | S401-P434 VanDerWaalsContact CB-O 3.3Å; S401-P434 WeakPolarHBondContact CB-O 3.32Å; S401-P434 PolarHBondContact OG-O 2.71Å |
| 435 | F | 91.1 | Very high | 92.5 | Very high | 70 Ų | 70 | 61 Ų | 61 | 31% | 0.307 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 3.5 | -178.9 | -53.2 | -69.5 | 0 | 0 | 0 | 114.1 | A398 P399 T433 K451 Q452 | A398-F435 HydrophobicContact CB-CZ 4.49Å; P399-F435 HydrophobicContact CG-CE1 4.05Å; P399-F435 HydrophobicContact CG-CZ 4.22Å; P399-F435 WeakPolarHBondContact O-CE1 3.22Å; P399-F435 WeakPolarHBondContact O-CZ 3.33Å; T433-F435 PolarHBondContact O-N 2.68Å; T433-F435 PolarHBondContact OG1-N 3.06Å; F435-K451 CarbonylContact O-C 3.57Å; F435-K451 VanDerWaalsContact O-CA 3.31Å; F435-K451 WeakPolarHBondContact O-CA 3.22Å; F435-Q452 HydrophobicContact CB-CB 4.49Å; F435-Q452 PolarHBondContact O-N 2.9Å |
| 436 | T | 93.8 | Very high | 92.4 | Very high | 27 Ų | 27 | 60.4 Ų | 60.4 | 17% | 0.166 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 133.8 | -179.6 | 63.9 | 0 | 0 | 0 | 0 | 111.9 | L403 L432 T433 V450 K451 | L403-T436 VanDerWaalsContact CD2-C 3.49Å; L432-T436 PolarHBondContact N-O 3.41Å; T433-T436 WeakPolarHBondContact CB-OG1 3.36Å; T433-T436 WeakPolarHBondContact CG2-OG1 3.41Å; T433-T436 PolarHBondContact N-O 3.46Å; T433-T436 VanDerWaalsContact N-O 3.17Å; T433-T436 PolarHBondContact N-OG1 3.47Å; T433-T436 PolarHBondContact O-N 3.26Å; T433-T436 WeakPolarHBondContact OG1-CB 3.24Å; T433-T436 PolarHBondContact OG1-N 3.01Å; T433-T436 VanDerWaalsContact OG1-N 3.17Å; T433-T436 PolarHBondContact OG1-OG1 3.11Å; T436-V450 CarbonylContact C-O 3.51Å; T436-V450 VanDerWaalsContact CA-O 3.3Å; T436-V450 WeakPolarHBondContact CA-O 3.42Å; T436-K451 HydrophobicContact CG2-CG 4.32Å |
| 437 | C | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 165.7 | 179.9 | 48.9 | 0 | 0 | 0 | 0 | 112.4 | L403 V428 D430 V431 V450 L455 | L403-C437 HydrophobicContact CD1-CB 4.05Å; L403-C437 HydrophobicContact CD2-CB 3.53Å; L403-C437 HydrophobicContact CG-CB 4.09Å; V428-C437 HydrophobicContact CG1-CB 3.76Å; D430-C437 CarbonylContact O-C 3.46Å; D430-C437 VanDerWaalsContact O-CA 3.23Å; D430-C437 WeakPolarHBondContact O-CA 3.5Å; D430-C437 WeakPolarHBondContact O-CB 3Å; V431-C437 HydrophobicContact CG2-CB 4.49Å; C437-V450 PolarHBondContact N-O 3.47Å; C437-V450 PolarHBondContact O-N 3.07Å; C437-V450 PolarHBondContact SG-O 2.97Å; C437-V450 VanDerWaalsContact SG-O 3.32Å; C437-L455 VanDerWaalsContact SG-CD1 3.58Å |
| 438 | V | 95.9 | Very high | 92.2 | Very high | 16 Ų | 16 | 60.3 Ų | 60.3 | 10% | 0.097 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 124.7 | 160.5 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | E429 D430 L432 L446 L447 D448 | E429-V438 PolarHBondContact N-O 3.36Å; D430-V438 HydrophobicContact CB-CB 4.49Å; D430-V438 PolarHBondContact N-O 3.37Å; D430-V438 PolarHBondContact O-N 2.99Å; L432-V438 HydrophobicContact CD1-CG2 3.98Å; L432-V438 HydrophobicContact CD2-CG2 4.42Å; L432-V438 HydrophobicContact CG-CG2 4.13Å; V438-L446 HydrophobicContact CG1-CB 4.39Å; V438-L447 WeakPolarHBondContact CA-O 3.5Å; V438-D448 WeakPolarHBondContact CG1-OD1 3.13Å |
| 439 | C | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 135.6 | 179.8 | -72.3 | 0 | 0 | 0 | 0 | 111.2 | M426 R427 L446 L447 V450 | M426-C439 HydrophobicContact CB-CB 4.18Å; M426-C439 HydrophobicContact SD-CB 4.01Å; R427-C439 CarbonylContact O-C 3.51Å; R427-C439 WeakPolarHBondContact O-CA 3.15Å; C439-L446 CarbonylContact O-C 3.52Å; C439-L447 HydrophobicContact CB-CB 4.44Å; C439-L447 PolarHBondContact N-O 3.32Å; C439-L447 WeakPolarHBondContact O-CB 3.44Å; C439-L447 PolarHBondContact O-N 3.12Å; C439-V450 HydrophobicContact CB-CG2 4.29Å |
| 440 | R | 95 | Very high | 92 | Very high | 109 Ų | 109 | 63 Ų | 63 | 41% | 0.411 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 127.8 | 170.8 | -171.2 | -179.8 | -68.7 | -164.2 | -5 | 110.3 | M426 R427 E429 R445 L446 | M426-R440 WeakPolarHBondContact CA-O 3.27Å; R427-R440 PolarHBondContact N-O 3.14Å; R427-R440 PolarHBondContact O-N 2.98Å; E429-R440 IonicContact OE1-CZ 3.8Å; E429-R440 IonicContact OE1-NE 2.96Å; E429-R440 IonicContact OE1-NH2 3.2Å; E429-R440 PolarHBondContact OE1-NH2 3.43Å; E429-R440 IonicContact OE2-CZ 2.81Å; E429-R440 IonicContact OE2-NE 3.63Å; E429-R440 PolarHBondContact OE2-NE 3.02Å; E429-R440 IonicContact OE2-NH2 3.54Å; E429-R440 PolarHBondContact OE2-NH2 3.31Å; R440-R445 CarbonylContact C-O 3.55Å; R440-R445 WeakPolarHBondContact CA-O 3.24Å; R440-L446 HydrophobicContact CB-CD2 3.82Å; R440-L446 HydrophobicContact CG-CD2 3.9Å |
| 441 | T | 93.9 | Very high | 92 | Very high | 12 Ų | 12 | 65.7 Ų | 65.7 | 7% | 0.074 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 164.8 | 173.3 | 70 | 0 | 0 | 0 | 0 | 111.4 | Y421 M426 E443 G444 R445 L447 | Y421-T441 HydrophobicContact CD1-CG2 4.12Å; Y421-T441 HydrophobicContact CE1-CG2 3.81Å; M426-T441 HydrophobicContact CE-CG2 3.9Å; M426-T441 HydrophobicContact SD-CG2 4.42Å; T441-E443 PolarHBondContact O-N 3.05Å; T441-E443 PolarHBondContact OG1-N 2.67Å; T441-G444 PolarHBondContact O-N 2.75Å; T441-R445 HydrophobicContact CG2-CB 4.38Å; T441-R445 PolarHBondContact N-O 2.95Å; T441-R445 WeakPolarHBondContact OG1-CB 3.37Å; T441-R445 PolarHBondContact OG1-N 3.35Å; T441-R445 VanDerWaalsContact OG1-N 3.11Å; T441-R445 PolarHBondContact OG1-O 3.35Å; T441-L447 HydrophobicContact CG2-CD1 3.79Å; T441-L447 HydrophobicContact CG2-CG 4.07Å |
| 442 | E | 88.9 | Confident | 92.1 | Very high | 140 Ų | 140 | 64.4 Ų | 64.4 | 65% | 0.654 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -23.5 | 173.8 | -64.2 | -171.9 | 158.6 | 0 | 0 | 112.4 | K408 G444 | K408-E442 IonicContact NZ-OE1 3.37Å; K408-E442 PolarHBondContact NZ-OE1 2.82Å; K408-E442 VanDerWaalsContact NZ-OE1 3.14Å; E442-G444 PolarHBondContact O-N 2.93Å |
| 443 | E | 88.4 | Confident | 92.1 | Very high | 138 Ų | 138 | 66.4 Ų | 66.4 | 65% | 0.645 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -2.2 | 171.9 | -57.5 | 176.6 | 171.2 | 0 | 0 | 113.6 | T441 R445 | T441-E443 PolarHBondContact O-N 3.05Å; T441-E443 PolarHBondContact OG1-N 2.67Å; E443-R445 IonicContact OE2-CZ 3.41Å; E443-R445 IonicContact OE2-NE 2.7Å; E443-R445 IonicContact OE2-NH1 3.29Å; E443-R445 PolarHBondContact OE2-NH1 2.92Å |
| 444 | G | 88 | Confident | 92.4 | Very high | 47 Ų | 47 | 64.8 Ų | 64.8 | 49% | 0.485 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 80.5 | 10.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | T441 E442 | T441-G444 PolarHBondContact O-N 2.75Å; E442-G444 PolarHBondContact O-N 2.93Å |
| 445 | R | 91.4 | Very high | 92.7 | Very high | 130 Ų | 130 | 61.6 Ų | 61.6 | 49% | 0.491 | 31% | 0.305 | S | S | . | . | trans | -82.6 | 138 | 176.2 | -64.3 | 177.7 | 170.9 | 153.4 | -7.1 | 110.6 | R440 T441 E443 | R440-R445 CarbonylContact C-O 3.55Å; R440-R445 WeakPolarHBondContact CA-O 3.24Å; T441-R445 HydrophobicContact CG2-CB 4.38Å; T441-R445 PolarHBondContact N-O 2.95Å; T441-R445 WeakPolarHBondContact OG1-CB 3.37Å; T441-R445 PolarHBondContact OG1-N 3.35Å; T441-R445 VanDerWaalsContact OG1-N 3.11Å; T441-R445 PolarHBondContact OG1-O 3.35Å; E443-R445 IonicContact OE2-CZ 3.41Å; E443-R445 IonicContact OE2-NE 2.7Å; E443-R445 IonicContact OE2-NH1 3.29Å; E443-R445 PolarHBondContact OE2-NH1 2.92Å | ||
| 446 | L | 93.1 | Very high | 92.8 | Very high | 86 Ų | 86 | 62.7 Ų | 62.7 | 45% | 0.45 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 139 | 174.3 | -57.7 | -178.7 | 0 | 0 | 0 | 111.2 | E429 V438 C439 R440 | E429-L446 WeakPolarHBondContact OE2-CD2 3.12Å; V438-L446 HydrophobicContact CG1-CB 4.39Å; C439-L446 CarbonylContact O-C 3.52Å; R440-L446 HydrophobicContact CB-CD2 3.82Å; R440-L446 HydrophobicContact CG-CD2 3.9Å |
| 447 | L | 91.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 108.4 | 177 | -61.3 | 179.1 | 0 | 0 | 0 | 108.8 | F416 K417 Y421 M426 V438 C439 T441 V450 | F416-L447 HydrophobicContact CE1-CD1 4.48Å; K417-L447 HydrophobicContact CD-CD2 4.03Å; Y421-L447 HydrophobicContact CD1-CD1 4.13Å; Y421-L447 HydrophobicContact CD2-CD1 4.1Å; Y421-L447 HydrophobicContact CD2-CD2 4.42Å; Y421-L447 HydrophobicContact CE1-CD1 4.26Å; Y421-L447 HydrophobicContact CE2-CD1 4.24Å; Y421-L447 HydrophobicContact CE2-CD2 3.82Å; Y421-L447 HydrophobicContact CG-CD1 4.05Å; M426-L447 HydrophobicContact CE-CD1 3.34Å; M426-L447 HydrophobicContact SD-CD1 3.57Å; M426-L447 VanDerWaalsContact SD-CD1 3.57Å; V438-L447 WeakPolarHBondContact CA-O 3.5Å; C439-L447 HydrophobicContact CB-CB 4.44Å; C439-L447 PolarHBondContact N-O 3.32Å; C439-L447 WeakPolarHBondContact O-CB 3.44Å; C439-L447 PolarHBondContact O-N 3.12Å; T441-L447 HydrophobicContact CG2-CD1 3.79Å; T441-L447 HydrophobicContact CG2-CG 4.07Å; L447-V450 HydrophobicContact CB-CG2 3.88Å |
| 448 | D | 92.5 | Very high | 92.8 | Very high | 95 Ų | 95 | 63.5 Ų | 63.5 | 51% | 0.508 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 163.8 | 175.1 | -52.2 | -43.9 | 0 | 0 | 0 | 111.7 | V438 V450 | V438-D448 WeakPolarHBondContact CG1-OD1 3.13Å; D448-V450 VanDerWaalsContact C-N 3.25Å; D448-V450 PolarHBondContact O-N 3Å |
| 449 | D | 91.6 | Very high | 92.7 | Very high | 114 Ų | 114 | 64.2 Ų | 64.2 | 61% | 0.61 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 56.4 | 31.5 | 176.6 | -67 | -34.3 | 0 | 0 | 0 | 115.1 | K451 | D449-K451 PolarHBondContact O-N 2.79Å |
| 450 | V | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 119.8 | 176.4 | 177.6 | 0 | 0 | 0 | 0 | 109.7 | F411 F416 T436 C437 C439 L447 D448 L455 | F411-V450 HydrophobicContact CD2-CG1 4.23Å; F411-V450 HydrophobicContact CE2-CG1 3.77Å; F411-V450 HydrophobicContact CE2-CG2 4.26Å; F416-V450 HydrophobicContact CZ-CG2 4.27Å; T436-V450 CarbonylContact C-O 3.51Å; T436-V450 VanDerWaalsContact CA-O 3.3Å; T436-V450 WeakPolarHBondContact CA-O 3.42Å; C437-V450 PolarHBondContact N-O 3.47Å; C437-V450 PolarHBondContact O-N 3.07Å; C437-V450 PolarHBondContact SG-O 2.97Å; C437-V450 VanDerWaalsContact SG-O 3.32Å; C439-V450 HydrophobicContact CB-CG2 4.29Å; L447-V450 HydrophobicContact CB-CG2 3.88Å; D448-V450 VanDerWaalsContact C-N 3.25Å; D448-V450 PolarHBondContact O-N 3Å; V450-L455 HydrophobicContact CG1-CD1 3.84Å; V450-L455 HydrophobicContact CG1-CD2 3.78Å; V450-L455 HydrophobicContact CG1-CG 3.8Å |
| 451 | K | 93.8 | Very high | 92.2 | Very high | 120 Ų | 120 | 68.3 Ų | 68.3 | 52% | 0.522 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 149.1 | -179.5 | -61.4 | -177.3 | -177.9 | 176.8 | 0 | 111.7 | F435 T436 D449 N453 M454 | F435-K451 CarbonylContact O-C 3.57Å; F435-K451 VanDerWaalsContact O-CA 3.31Å; F435-K451 WeakPolarHBondContact O-CA 3.22Å; T436-K451 HydrophobicContact CG2-CG 4.32Å; D449-K451 PolarHBondContact O-N 2.79Å; K451-N453 PolarHBondContact O-N 3.47Å; K451-N453 VanDerWaalsContact O-N 3.16Å; K451-M454 HydrophobicContact CB-CE 4.31Å; K451-M454 HydrophobicContact CB-CG 4.15Å; K451-M454 HydrophobicContact CB-SD 3.98Å; K451-M454 HydrophobicContact CD-CE 4.11Å; K451-M454 HydrophobicContact CG-CE 4.23Å; K451-M454 HydrophobicContact CG-SD 4.32Å; K451-M454 WeakPolarHBondContact O-CB 3.46Å; K451-M454 PolarHBondContact O-N 2.82Å |
| 452 | Q | 93.7 | Very high | 91.7 | Very high | 11 Ų | 11 | 69.1 Ų | 69.1 | 5% | 0.051 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -50.4 | -41.3 | 175.6 | -176.2 | 178.1 | -64.6 | 0 | 0 | 112.7 | P400 W402 F435 M454 L455 | P400-Q452 PolarHBondContact O-NE2 3.19Å; W402-Q452 HydrophobicContact CD2-CG 4.08Å; W402-Q452 HydrophobicContact CG-CG 4.25Å; W402-Q452 HydrophobicContact CZ2-CG 3.77Å; W402-Q452 VanDerWaalsContact N-OE1 3.09Å; W402-Q452 VanDerWaalsContact NE1-CD 3.32Å; F435-Q452 HydrophobicContact CB-CB 4.49Å; F435-Q452 PolarHBondContact O-N 2.9Å; Q452-M454 PolarHBondContact O-N 2.7Å; Q452-L455 PolarHBondContact O-N 3.28Å; Q452-L455 VanDerWaalsContact O-N 3.08Å |
| 453 | N | 92.8 | Very high | 91.1 | Very high | 136 Ų | 136 | 69.7 Ų | 69.7 | 73% | 0.727 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -70.2 | -12.9 | -178.5 | -59.9 | -0.6 | 0 | 0 | 0 | 114 | K451 L455 | K451-N453 PolarHBondContact O-N 3.47Å; K451-N453 VanDerWaalsContact O-N 3.16Å; N453-L455 VanDerWaalsContact C-N 3.27Å |
| 454 | M | 93.4 | Very high | 90.7 | Very high | 32 Ų | 32 | 72.6 Ų | 72.6 | 16% | 0.158 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -88 | -2.4 | 175.7 | -58.9 | 170.3 | 171.3 | 0 | 0 | 111.6 | F411 I412 D413 F416 K451 Q452 | F411-M454 HydrophobicContact CE2-CB 4.01Å; F411-M454 HydrophobicContact CZ-CB 4Å; F411-M454 HydrophobicContact CZ-SD 4.37Å; I412-M454 VanDerWaalsContact CG1-C 3.49Å; I412-M454 VanDerWaalsContact CG1-O 3.28Å; I412-M454 WeakPolarHBondContact CG1-O 3.31Å; I412-M454 PolarHBondContact N-O 3.36Å; D413-M454 HydrophobicContact CB-CB 3.92Å; D413-M454 HydrophobicContact CB-CG 3.85Å; F416-M454 HydrophobicContact CD2-CE 4.37Å; F416-M454 HydrophobicContact CD2-SD 4.13Å; K451-M454 HydrophobicContact CB-CE 4.31Å; K451-M454 HydrophobicContact CB-CG 4.15Å; K451-M454 HydrophobicContact CB-SD 3.98Å; K451-M454 HydrophobicContact CD-CE 4.11Å; K451-M454 HydrophobicContact CG-CE 4.23Å; K451-M454 HydrophobicContact CG-SD 4.32Å; K451-M454 WeakPolarHBondContact O-CB 3.46Å; K451-M454 PolarHBondContact O-N 2.82Å; Q452-M454 PolarHBondContact O-N 2.7Å |
| 455 | L | 94.3 | Very high | 90.7 | Very high | 8 Ų | 8 | 73 Ų | 73 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 148.3 | -173.5 | -60.3 | 176.7 | 0 | 0 | 0 | 111.2 | W402 L403 V409 R410 F411 C437 V450 Q452 N453 | W402-L455 HydrophobicContact CH2-CB 3.78Å; W402-L455 HydrophobicContact CZ2-CB 4.12Å; L403-L455 HydrophobicContact CD1-CD1 3.91Å; V409-L455 HydrophobicContact CB-CB 4.37Å; V409-L455 HydrophobicContact CB-CD2 4.3Å; V409-L455 HydrophobicContact CG2-CD1 4.04Å; V409-L455 HydrophobicContact CG2-CD2 3.74Å; V409-L455 HydrophobicContact CG2-CG 4.35Å; R410-L455 CarbonylContact O-C 3.56Å; R410-L455 WeakPolarHBondContact O-CA 3.11Å; F411-L455 HydrophobicContact CB-CD2 4.44Å; F411-L455 HydrophobicContact CD2-CD2 3.71Å; F411-L455 HydrophobicContact CE2-CD2 4.42Å; F411-L455 HydrophobicContact CG-CD2 4.47Å; C437-L455 VanDerWaalsContact SG-CD1 3.58Å; V450-L455 HydrophobicContact CG1-CD1 3.84Å; V450-L455 HydrophobicContact CG1-CD2 3.78Å; V450-L455 HydrophobicContact CG1-CG 3.8Å; Q452-L455 PolarHBondContact O-N 3.28Å; Q452-L455 VanDerWaalsContact O-N 3.08Å; N453-L455 VanDerWaalsContact C-N 3.27Å |
| 456 | E | 93.9 | Very high | 90.8 | Very high | 93 Ų | 93 | 67.6 Ų | 67.6 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 141.6 | 173 | -178.7 | -176 | -164.3 | 0 | 0 | 108.8 | V409 R410 I412 | V409-E456 WeakPolarHBondContact CA-O 3.15Å; R410-E456 HydrophobicContact CB-CB 4.27Å; R410-E456 WeakPolarHBondContact CD-OE2 3.41Å; R410-E456 PolarHBondContact N-O 3.22Å; R410-E456 PolarHBondContact O-N 3.31Å; I412-E456 HydrophobicContact CG2-CB 3.77Å |
| 457 | T | 94.2 | Very high | 90.8 | Very high | 21 Ų | 21 | 63.5 Ų | 63.5 | 13% | 0.129 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 143.8 | 176.3 | 54.3 | 0 | 0 | 0 | 0 | 110.2 | W402 V470 Y507 I510 C511 | W402-T457 HydrophobicContact CD2-CG2 4.41Å; W402-T457 HydrophobicContact CE3-CG2 4.01Å; W402-T457 HydrophobicContact CH2-CG2 4.17Å; W402-T457 HydrophobicContact CZ3-CG2 3.89Å; T457-V470 HydrophobicContact CG2-CG2 4.15Å; T457-Y507 PolarHBondContact OG1-O 3.25Å; T457-I510 WeakPolarHBondContact CB-O 3.31Å; T457-C511 HydrophobicContact CG2-CB 4Å |
| 458 | I | 93.8 | Very high | 90.9 | Very high | 23 Ų | 23 | 64.1 Ų | 64.1 | 12% | 0.118 | 32% | 0.317 | C | S | . | . | trans | -112.5 | 124.7 | 174.8 | -62.1 | 176.7 | 0 | 0 | 0 | 108 | K408 V409 R410 K425 C511 H512 | K408-I458 HydrophobicContact CG-CD1 4.37Å; K408-I458 WeakPolarHBondContact O-CB 3.28Å; V409-I458 WeakPolarHBondContact O-CD1 3.39Å; R410-I458 HydrophobicContact CB-CD1 3.87Å; R410-I458 HydrophobicContact CB-CG1 3.88Å; K425-I458 HydrophobicContact CB-CD1 4.36Å; K425-I458 HydrophobicContact CD-CD1 4.36Å; K425-I458 HydrophobicContact CG-CD1 3.89Å; I458-C511 CarbonylContact O-C 3.55Å; I458-H512 VanDerWaalsContact O-CB 3.3Å; I458-H512 WeakPolarHBondContact O-CB 3.41Å; I458-H512 PolarHBondContact O-N 2.94Å | ||
| 459 | V | 92.8 | Very high | 91 | Very high | 31 Ų | 31 | 59.7 Ų | 59.7 | 19% | 0.188 | 29% | 0.293 | C | S | . | . | trans | -87.7 | 124.3 | 167.4 | -174.1 | 0 | 0 | 0 | 0 | 108.4 | I481 Y507 I510 | V459-I481 HydrophobicContact CG1-CD1 3.47Å; V459-I481 VanDerWaalsContact CG1-CD1 3.47Å; V459-Y507 HydrophobicContact CG2-CD1 4.03Å; V459-Y507 HydrophobicContact CG2-CD2 4.28Å; V459-Y507 HydrophobicContact CG2-CG 3.82Å; V459-I510 HydrophobicContact CG1-CD1 4.29Å; V459-I510 HydrophobicContact CG2-CD1 4.24Å; V459-I510 HydrophobicContact CG2-CG1 4.1Å | ||
| 460 | P | 92.3 | Very high | 91.1 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.032 | 26% | 0.264 | C | S | . | . | trans | -64.1 | 160.9 | 179.5 | 20.2 | -22.2 | 0 | 0 | 0 | 111.5 | D465 V467 I481 R484 H512 | P460-D465 HydrophobicContact CB-CB 3.3Å; P460-D465 VanDerWaalsContact CB-OD2 3.22Å; P460-D465 WeakPolarHBondContact CB-OD2 3.25Å; P460-D465 HydrophobicContact CG-CB 3.62Å; P460-V467 HydrophobicContact CG-CG1 3.41Å; P460-V467 VanDerWaalsContact CG-CG1 3.41Å; P460-I481 HydrophobicContact CG-CD1 4.19Å; P460-R484 PolarHBondContact O-NE 3.2Å; P460-R484 PolarHBondContact O-NH2 3.2Å; P460-H512 HydrophobicContact CB-CB 4.29Å; P460-H512 HydrophobicContact CG-CB 4.07Å | ||
| 461 | K | 87.9 | Confident | 91 | Very high | 190 Ų | 190 | 56.3 Ų | 56.3 | 83% | 0.826 | 28% | 0.275 | S | S | * | . | trans | -105.8 | -21.6 | 176.2 | -68.1 | -175.2 | -177.6 | -179.9 | 0 | 112.8 | R484 | K461-R484 VanDerWaalsContact C-NH1 3.27Å; K461-R484 PolarHBondContact O-NH1 2.7Å | ||
| 462 | G | 83.6 | Confident | 90.7 | Very high | 30 Ų | 30 | 53.5 Ų | 53.5 | 31% | 0.309 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -67.3 | 148.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y464 D465 R484 | G462-Y464 VanDerWaalsContact C-N 3.29Å; G462-D465 VanDerWaalsContact CA-OD2 3.24Å; G462-D465 WeakPolarHBondContact CA-OD2 2.91Å; G462-D465 PolarHBondContact N-OD2 3.48Å; G462-R484 PolarHBondContact O-NH2 2.83Å |
| 463 | E | 75.6 | Confident | 90.5 | Very high | 152 Ų | 152 | 61.4 Ų | 61.4 | 71% | 0.71 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -75.4 | -23.2 | 178.2 | -67.5 | 170.4 | -175.8 | 0 | 0 | 111.9 | ||
| 464 | Y | 80.6 | Confident | 90.3 | Very high | 198 Ų | 198 | 56.7 Ų | 56.7 | 78% | 0.776 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -101.3 | 2.4 | -179.5 | -56.6 | -78.3 | 0 | 0 | 0 | 113.7 | G462 | G462-Y464 VanDerWaalsContact C-N 3.29Š|
| 465 | D | 88.7 | Confident | 90.2 | Very high | 56 Ų | 56 | 60.3 Ų | 60.3 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | trans | -76 | 129.9 | -178.7 | -70 | -25.5 | 0 | 0 | 0 | 110.3 | P460 G462 | P460-D465 HydrophobicContact CB-CB 3.3Å; P460-D465 VanDerWaalsContact CB-OD2 3.22Å; P460-D465 WeakPolarHBondContact CB-OD2 3.25Å; P460-D465 HydrophobicContact CG-CB 3.62Å; G462-D465 VanDerWaalsContact CA-OD2 3.24Å; G462-D465 WeakPolarHBondContact CA-OD2 2.91Å; G462-D465 PolarHBondContact N-OD2 3.48Å | ||
| 466 | A | 91.5 | Very high | 90 | Very high | 17 Ų | 17 | 61.5 Ų | 61.5 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 146.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V478 H512 Y513 | A466-V478 HydrophobicContact CB-CG1 4.12Å; A466-H512 PolarHBondContact O-CD2 2.86Å; A466-Y513 HydrophobicContact CB-CD1 4.27Å; A466-Y513 PolarHBondContact O-N 3.46Å |
| 467 | V | 94.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 148.3 | 172.7 | -67.1 | 0 | 0 | 0 | 0 | 111.2 | P460 V478 G479 I481 V493 C511 | P460-V467 HydrophobicContact CG-CG1 3.41Å; P460-V467 VanDerWaalsContact CG-CG1 3.41Å; V467-V478 CarbonylContact O-C 3.44Å; V467-V478 VanDerWaalsContact O-CA 3.31Å; V467-V478 WeakPolarHBondContact O-CA 3.13Å; V467-G479 PolarHBondContact N-O 3.21Å; V467-G479 PolarHBondContact O-N 3.3Å; V467-I481 HydrophobicContact CB-CG1 4.45Å; V467-I481 HydrophobicContact CG1-CD1 3.51Å; V467-I481 HydrophobicContact CG1-CG1 3.85Å; V467-I481 HydrophobicContact CG2-CD1 4.33Å; V467-I481 HydrophobicContact CG2-CG1 3.75Å; V467-V493 HydrophobicContact CG2-CG1 3.79Å; V467-V493 HydrophobicContact CG2-CG2 4.34Å; V467-C511 CarbonylContact C-O 3.57Å; V467-C511 VanDerWaalsContact CA-O 3.28Å; V467-C511 WeakPolarHBondContact CA-O 3.26Å |
| 468 | M | 94.4 | Very high | 89.8 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 7% | 0.074 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 138.5 | 171.9 | -179.2 | 178.4 | -75.4 | 0 | 0 | 109.6 | Q404 L407 Q477 V478 I510 C511 Y513 | Q404-M468 HydrophobicContact CB-SD 3.81Å; Q404-M468 HydrophobicContact CG-SD 4.04Å; L407-M468 HydrophobicContact CD2-CB 3.86Å; L407-M468 HydrophobicContact CD2-CG 4.38Å; L407-M468 HydrophobicContact CD2-SD 3.96Å; M468-Q477 WeakPolarHBondContact CA-O 3.28Å; M468-V478 HydrophobicContact CB-CG2 4.43Å; M468-V478 HydrophobicContact CE-CG2 3.67Å; M468-I510 CarbonylContact O-C 3.58Å; M468-I510 WeakPolarHBondContact O-CA 3.38Å; M468-C511 PolarHBondContact N-O 3.33Å; M468-C511 PolarHBondContact O-N 2.78Å; M468-Y513 HydrophobicContact CB-CD2 4.27Å; M468-Y513 HydrophobicContact CB-CG 4.43Å; M468-Y513 HydrophobicContact CE-CD2 3.49Å; M468-Y513 VanDerWaalsContact CE-CD2 3.49Å; M468-Y513 HydrophobicContact CE-CE2 3.37Å; M468-Y513 HydrophobicContact CE-CG 4.36Å; M468-Y513 HydrophobicContact SD-CD2 4.44Å |
| 469 | V | 94.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 123.1 | 170.6 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | L471 H474 R475 G476 Q477 L495 L505 S509 I510 | V469-L471 VanDerWaalsContact CG1-O 3.25Å; V469-L471 WeakPolarHBondContact CG1-O 3.41Å; V469-H474 WeakPolarHBondContact CB-O 3.48Å; V469-H474 HydrophobicContact CG1-CB 4.28Å; V469-R475 CarbonylContact O-C 3.54Å; V469-R475 WeakPolarHBondContact O-CA 3.24Å; V469-G476 PolarHBondContact O-N 3.38Å; V469-Q477 PolarHBondContact N-O 3.44Å; V469-L495 HydrophobicContact CG2-CD2 3.67Å; V469-L505 HydrophobicContact CB-CD1 4.5Å; V469-L505 HydrophobicContact CG1-CD1 4.22Å; V469-L505 HydrophobicContact CG2-CD1 3.53Å; V469-S509 CarbonylContact C-O 3.58Å; V469-S509 WeakPolarHBondContact CA-O 3.49Å; V469-I510 HydrophobicContact CG2-CG2 4.36Å |
| 470 | V | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -107.3 | -20.5 | -173.9 | -62.6 | 0 | 0 | 0 | 0 | 113.4 | W402 L407 T457 R475 S509 C511 | W402-V470 WeakPolarHBondContact CA-O 3.47Å; W402-V470 HydrophobicContact CB-CB 3.91Å; W402-V470 HydrophobicContact CB-CG2 4.04Å; W402-V470 WeakPolarHBondContact O-CB 3.33Å; L407-V470 HydrophobicContact CD1-CG1 3.67Å; L407-V470 HydrophobicContact CD2-CG1 4.32Å; T457-V470 HydrophobicContact CG2-CG2 4.15Å; V470-R475 WeakPolarHBondContact O-CG 3.47Å; V470-S509 WeakPolarHBondContact CG2-O 3.22Å; V470-S509 PolarHBondContact N-O 3.33Å; V470-C511 HydrophobicContact CG1-CB 3.81Å | ||
| 471 | L | 91.3 | Very high | 89.6 | Confident | 43 Ų | 43 | 61 Ų | 61 | 23% | 0.225 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -131.8 | 154.5 | 177.7 | -69.5 | 171.7 | 0 | 0 | 0 | 111.3 | P400 W402 V469 S509 | P400-L471 HydrophobicContact CB-CD2 3.83Å; P400-L471 HydrophobicContact CG-CD2 4.13Å; W402-L471 HydrophobicContact CB-CD1 4.45Å; W402-L471 HydrophobicContact CB-CD2 3.74Å; W402-L471 HydrophobicContact CB-CG 3.81Å; V469-L471 VanDerWaalsContact CG1-O 3.25Å; V469-L471 WeakPolarHBondContact CG1-O 3.41Å; L471-S509 PolarHBondContact N-O 2.83Å |
| 472 | G | 88.8 | Confident | 89.7 | Confident | 61 Ų | 61 | 56.9 Ų | 56.9 | 63% | 0.629 | 29% | 0.294 | S | S | * | . | S | Bend | trans | 91.9 | -166.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | H474 R475 | G472-H474 VanDerWaalsContact C-N 3.33Å; G472-H474 PolarHBondContact O-N 2.74Å; G472-R475 WeakPolarHBondContact O-CB 3.39Å; G472-R475 PolarHBondContact O-N 3.18Å |
| 473 | E | 88.6 | Confident | 89.9 | Confident | 178 Ų | 178 | 60.2 Ų | 60.2 | 83% | 0.832 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -32.9 | -173.7 | -173.1 | 173.7 | 175.3 | 0 | 0 | 113.1 | R475 | E473-R475 VanDerWaalsContact C-N 3.32Å; E473-R475 PolarHBondContact O-N 2.84Å |
| 474 | H | 89.3 | Confident | 90.6 | Very high | 36 Ų | 36 | 56.5 Ų | 56.5 | 17% | 0.167 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 20.2 | -177.3 | -54.3 | -54.3 | 0 | 0 | 0 | 113.5 | V469 G472 G476 Q477 L495 F503 | V469-H474 WeakPolarHBondContact CB-O 3.48Å; V469-H474 HydrophobicContact CG1-CB 4.28Å; G472-H474 VanDerWaalsContact C-N 3.33Å; G472-H474 PolarHBondContact O-N 2.74Å; H474-G476 PolarHBondContact O-N 3.31Å; H474-Q477 WeakPolarHBondContact O-CB 3.31Å; H474-Q477 WeakPolarHBondContact O-CG 3.37Å; H474-Q477 PolarHBondContact O-N 3Å; H474-L495 HydrophobicContact CB-CD1 3.91Å; H474-F503 AromaticContact CD2-CD1 3.85Å; H474-F503 AromaticContact CD2-CE1 3.82Å; H474-F503 AromaticContact CE1-CE1 3.92Å; H474-F503 AromaticContact NE2-CD1 3.67Å; H474-F503 AromaticContact NE2-CE1 3.22Å; H474-F503 WeakPolarHBondContact NE2-CE1 3.47Å; H474-F503 AromaticContact NE2-CZ 3.91Å |
| 475 | R | 90.4 | Very high | 91.1 | Very high | 108 Ų | 108 | 50 Ų | 50 | 41% | 0.408 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 134.4 | 180 | 178.3 | 178.5 | -178.1 | -91.7 | 6.7 | 112.2 | S401 Q404 V469 V470 G472 E473 Q477 | S401-R475 PolarHBondContact O-NE 2.76Å; S401-R475 PolarHBondContact O-NH2 3.13Å; S401-R475 PolarHBondContact OG-NH2 2.74Å; Q404-R475 VanDerWaalsContact NE2-NH2 3.14Å; V469-R475 CarbonylContact O-C 3.54Å; V469-R475 WeakPolarHBondContact O-CA 3.24Å; V470-R475 WeakPolarHBondContact O-CG 3.47Å; G472-R475 WeakPolarHBondContact O-CB 3.39Å; G472-R475 PolarHBondContact O-N 3.18Å; E473-R475 VanDerWaalsContact C-N 3.32Å; E473-R475 PolarHBondContact O-N 2.84Å; R475-Q477 VanDerWaalsContact C-N 3.32Å |
| 476 | G | 89.3 | Confident | 91 | Very high | 34 Ų | 34 | 55.4 Ų | 55.4 | 35% | 0.351 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -2.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V469 H474 | V469-G476 PolarHBondContact O-N 3.38Å; H474-G476 PolarHBondContact O-N 3.31Å |
| 477 | Q | 91.8 | Very high | 90.9 | Very high | 21 Ų | 21 | 62.4 Ų | 62.4 | 10% | 0.098 | 32% | 0.316 | C | S | . | . | trans | -83.6 | 138.8 | 175.2 | -60 | -173.5 | 39.7 | 0 | 0 | 110.6 | M468 V469 H474 R475 L495 | M468-Q477 WeakPolarHBondContact CA-O 3.28Å; V469-Q477 PolarHBondContact N-O 3.44Å; H474-Q477 WeakPolarHBondContact O-CB 3.31Å; H474-Q477 WeakPolarHBondContact O-CG 3.37Å; H474-Q477 PolarHBondContact O-N 3Å; R475-Q477 VanDerWaalsContact C-N 3.32Å; Q477-L495 HydrophobicContact CB-CD1 4.37Å; Q477-L495 HydrophobicContact CB-CD2 4.22Å | ||
| 478 | V | 92.9 | Very high | 90.6 | Very high | 27 Ų | 27 | 69.6 Ų | 69.6 | 16% | 0.164 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 150 | 175.3 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | A466 V467 M468 D496 Y513 | A466-V478 HydrophobicContact CB-CG1 4.12Å; V467-V478 CarbonylContact O-C 3.44Å; V467-V478 VanDerWaalsContact O-CA 3.31Å; V467-V478 WeakPolarHBondContact O-CA 3.13Å; M468-V478 HydrophobicContact CB-CG2 4.43Å; M468-V478 HydrophobicContact CE-CG2 3.67Å; V478-D496 PolarHBondContact O-N 2.98Å; V478-Y513 HydrophobicContact CG1-CD1 3.82Å; V478-Y513 HydrophobicContact CG1-CE1 4.31Å; V478-Y513 HydrophobicContact CG1-CG 4.41Å; V478-Y513 HydrophobicContact CG2-CD1 3.98Å; V478-Y513 HydrophobicContact CG2-CD2 4.48Å; V478-Y513 HydrophobicContact CG2-CE1 4Å; V478-Y513 HydrophobicContact CG2-CE2 4.49Å; V478-Y513 HydrophobicContact CG2-CG 4.22Å |
| 479 | G | 91.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167 | -171.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V467 Q494 | V467-G479 PolarHBondContact N-O 3.21Å; V467-G479 PolarHBondContact O-N 3.3Å; G479-Q494 CarbonylContact C-O 3.48Å; G479-Q494 WeakPolarHBondContact CA-O 3.48Å |
| 480 | R | 91.6 | Very high | 90.3 | Very high | 107 Ų | 107 | 77.6 Ų | 77.6 | 40% | 0.404 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 144 | -178 | -58.8 | -179 | -172.1 | -177.3 | 2 | 110.7 | V493 Q494 H519 | R480-V493 WeakPolarHBondContact O-CA 3.28Å; R480-Q494 PolarHBondContact N-O 2.94Å; R480-Q494 PolarHBondContact O-N 3.3Å; R480-H519 PolarHBondContact NH2-NE2 2.74Å |
| 481 | I | 91.7 | Very high | 90.2 | Very high | 8 Ų | 8 | 77.7 Ų | 77.7 | 4% | 0.041 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 122.9 | 176.8 | -60.8 | 169.1 | 0 | 0 | 0 | 109.1 | V459 P460 V467 R484 A491 V493 I510 | V459-I481 HydrophobicContact CG1-CD1 3.47Å; V459-I481 VanDerWaalsContact CG1-CD1 3.47Å; P460-I481 HydrophobicContact CG-CD1 4.19Å; V467-I481 HydrophobicContact CB-CG1 4.45Å; V467-I481 HydrophobicContact CG1-CD1 3.51Å; V467-I481 HydrophobicContact CG1-CG1 3.85Å; V467-I481 HydrophobicContact CG2-CD1 4.33Å; V467-I481 HydrophobicContact CG2-CG1 3.75Å; I481-R484 HydrophobicContact CG2-CG 3.58Å; I481-A491 HydrophobicContact CG2-CB 4.07Å; I481-V493 HydrophobicContact CG1-CG2 4.21Å; I481-I510 HydrophobicContact CD1-CD1 4.32Å |
| 482 | L | 89.8 | Confident | 90.2 | Very high | 103 Ų | 103 | 78.2 Ų | 78.2 | 54% | 0.539 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -44 | 174.1 | -62.4 | -177.3 | 0 | 0 | 0 | 112.1 | M492 Q494 L502 | L482-M492 PolarHBondContact N-O 3.45Å; L482-Q494 HydrophobicContact CD1-CB 4.23Å; L482-Q494 HydrophobicContact CG-CB 4.33Å; L482-L502 HydrophobicContact CD1-CD1 4.39Å; L482-L502 HydrophobicContact CD1-CD2 3.4Å |
| 483 | Q | 88.4 | Confident | 90.4 | Very high | 100 Ų | 100 | 75.3 Ų | 75.3 | 47% | 0.467 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 145.5 | -177 | -172.6 | 172.8 | -17.6 | 0 | 0 | 111.4 | A491 M492 | Q483-A491 WeakPolarHBondContact O-CA 3.5Å; Q483-M492 HydrophobicContact CB-CB 4.33Å; Q483-M492 HydrophobicContact CB-CE 3.48Å; Q483-M492 VanDerWaalsContact CB-CE 3.48Å; Q483-M492 HydrophobicContact CG-CE 3.99Å; Q483-M492 PolarHBondContact O-N 2.86Å |
| 484 | R | 90.4 | Very high | 90.6 | Very high | 74 Ų | 74 | 69.9 Ų | 69.9 | 28% | 0.279 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 117.2 | -177.8 | -66.1 | -177.5 | -170.1 | 126.1 | 1.1 | 111 | P460 K461 G462 I481 | P460-R484 PolarHBondContact O-NE 3.2Å; P460-R484 PolarHBondContact O-NH2 3.2Å; K461-R484 VanDerWaalsContact C-NH1 3.27Å; K461-R484 PolarHBondContact O-NH1 2.7Å; G462-R484 PolarHBondContact O-NH2 2.83Å; I481-R484 HydrophobicContact CG2-CG 3.58Å |
| 485 | D | 90.3 | Very high | 90.6 | Very high | 61 Ų | 61 | 68.1 Ų | 68.1 | 33% | 0.326 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 91.6 | 174.8 | -71.6 | -18.5 | 0 | 0 | 0 | 109.8 | N487 K488 C489 R490 | D485-N487 PolarHBondContact O-N 2.87Å; D485-K488 PolarHBondContact O-N 3.25Å; D485-C489 PolarHBondContact O-N 3.46Å; D485-R490 PolarHBondContact N-O 2.85Å; D485-R490 PolarHBondContact O-N 3.27Å |
| 486 | K | 86.4 | Confident | 90.5 | Very high | 169 Ų | 169 | 65.8 Ų | 65.8 | 74% | 0.735 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -32.9 | 179.3 | -67.2 | 177 | -175.7 | 170.7 | 0 | 113.2 | K488 | K486-K488 VanDerWaalsContact C-N 3.32Å; K486-K488 PolarHBondContact O-N 3.39Å |
| 487 | N | 89 | Confident | 90.2 | Very high | 165 Ų | 165 | 73.3 Ų | 73.3 | 88% | 0.882 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -28.8 | -176.4 | -61.6 | -6 | 0 | 0 | 0 | 112.6 | D485 | D485-N487 PolarHBondContact O-N 2.87Š|
| 488 | K | 89.2 | Confident | 89.7 | Confident | 150 Ų | 150 | 77.6 Ų | 77.6 | 65% | 0.652 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | 1.4 | -178.4 | -64.7 | -178.5 | -179.3 | 174.5 | 0 | 112.7 | D485 K486 R490 | D485-K488 PolarHBondContact O-N 3.25Å; K486-K488 VanDerWaalsContact C-N 3.32Å; K486-K488 PolarHBondContact O-N 3.39Å; K488-R490 HydrophobicContact CB-CB 4.49Å; K488-R490 PolarHBondContact O-N 3.5Å |
| 489 | C | 90.1 | Very high | 88.8 | Confident | 72 Ų | 72 | 83.5 Ų | 83.5 | 49% | 0.486 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 42 | -173.7 | -59.5 | 0 | 0 | 0 | 0 | 113 | D485 Y507 | D485-C489 PolarHBondContact O-N 3.46Å; C489-Y507 HydrophobicContact CB-CD2 4.17Å; C489-Y507 HydrophobicContact CB-CG 4.38Å; C489-Y507 WeakPolarHBondContact O-CD1 3.49Å; C489-Y507 PolarHBondContact O-N 3.43Å |
| 490 | R | 92.1 | Very high | 88 | Confident | 113 Ų | 113 | 92.9 Ų | 92.9 | 43% | 0.426 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 146.9 | -177.2 | -78.9 | 176.6 | 175.3 | -170.9 | 1.2 | 111.7 | D485 K488 T504 L505 D506 Y507 | D485-R490 PolarHBondContact N-O 2.85Å; D485-R490 PolarHBondContact O-N 3.27Å; K488-R490 HydrophobicContact CB-CB 4.49Å; K488-R490 PolarHBondContact O-N 3.5Å; R490-T504 HydrophobicContact CB-CG2 4.24Å; R490-T504 HydrophobicContact CG-CG2 4.5Å; R490-L505 CarbonylContact C-O 3.5Å; R490-L505 WeakPolarHBondContact CA-O 3.42Å; R490-D506 WeakPolarHBondContact CG-OD1 3.25Å; R490-D506 IonicContact CZ-OD1 2.68Å; R490-D506 IonicContact NE-OD1 2.7Å; R490-D506 PolarHBondContact NE-OD1 3.45Å; R490-D506 IonicContact NH2-OD1 2.67Å; R490-Y507 WeakPolarHBondContact O-CE1 3.45Å |
| 491 | A | 91.6 | Very high | 87.7 | Confident | 2 Ų | 2 | 93.8 Ų | 93.8 | 2% | 0.017 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 141.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | I481 Q483 V493 T504 L505 Y507 I510 | I481-A491 HydrophobicContact CG2-CB 4.07Å; Q483-A491 WeakPolarHBondContact O-CA 3.5Å; A491-V493 HydrophobicContact CB-CG2 4.08Å; A491-T504 WeakPolarHBondContact O-CA 3.36Å; A491-L505 PolarHBondContact N-O 2.88Å; A491-L505 PolarHBondContact O-N 3.43Å; A491-Y507 HydrophobicContact CB-CD1 4.27Å; A491-Y507 HydrophobicContact CB-CE1 3.9Å; A491-I510 HydrophobicContact CB-CD1 3.66Å |
| 492 | M | 91.6 | Very high | 87.6 | Confident | 54 Ų | 54 | 98 Ų | 98 | 27% | 0.266 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 114.2 | 164 | -67.5 | -164 | -67.3 | 0 | 0 | 108.4 | L482 Q483 F503 | L482-M492 PolarHBondContact N-O 3.45Å; Q483-M492 HydrophobicContact CB-CB 4.33Å; Q483-M492 HydrophobicContact CB-CE 3.48Å; Q483-M492 VanDerWaalsContact CB-CE 3.48Å; Q483-M492 HydrophobicContact CG-CE 3.99Å; Q483-M492 PolarHBondContact O-N 2.86Å; M492-F503 WeakPolarHBondContact CA-O 3.3Å |
| 493 | V | 92.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 95 Ų | 95 | 0% | 0 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 130.3 | -176.8 | -174.9 | 0 | 0 | 0 | 0 | 109 | V467 R480 I481 A491 L495 F503 L505 I510 | V467-V493 HydrophobicContact CG2-CG1 3.79Å; V467-V493 HydrophobicContact CG2-CG2 4.34Å; R480-V493 WeakPolarHBondContact O-CA 3.28Å; I481-V493 HydrophobicContact CG1-CG2 4.21Å; A491-V493 HydrophobicContact CB-CG2 4.08Å; V493-L495 HydrophobicContact CG1-CD2 4.02Å; V493-F503 PolarHBondContact N-O 3.18Å; V493-F503 PolarHBondContact O-N 2.83Å; V493-L505 HydrophobicContact CB-CD1 4.26Å; V493-L505 HydrophobicContact CG2-CD1 4.26Å; V493-I510 HydrophobicContact CG2-CD1 4.18Å; V493-I510 HydrophobicContact CG2-CG2 4.39Å |
| 494 | Q | 92 | Very high | 87.8 | Confident | 63 Ų | 63 | 94.3 Ų | 94.3 | 29% | 0.294 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 119 | 168.7 | -173 | 179.5 | 10.8 | 0 | 0 | 107.4 | G479 R480 L482 E499 L502 | G479-Q494 CarbonylContact C-O 3.48Å; G479-Q494 WeakPolarHBondContact CA-O 3.48Å; R480-Q494 PolarHBondContact N-O 2.94Å; R480-Q494 PolarHBondContact O-N 3.3Å; L482-Q494 HydrophobicContact CD1-CB 4.23Å; L482-Q494 HydrophobicContact CG-CB 4.33Å; Q494-E499 PolarHBondContact NE2-O 2.89Å; Q494-L502 HydrophobicContact CB-CD2 3.83Å; Q494-L502 HydrophobicContact CG-CD2 4.12Å |
| 495 | L | 91 | Very high | 87.9 | Confident | 0 Ų | 0 | 92 Ų | 92 | 0% | 0 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 138.8 | -179.2 | -62.6 | 177.6 | 0 | 0 | 0 | 110 | V469 H474 Q477 V493 R497 Y498 E499 F503 | V469-L495 HydrophobicContact CG2-CD2 3.67Å; H474-L495 HydrophobicContact CB-CD1 3.91Å; Q477-L495 HydrophobicContact CB-CD1 4.37Å; Q477-L495 HydrophobicContact CB-CD2 4.22Å; V493-L495 HydrophobicContact CG1-CD2 4.02Å; L495-R497 PolarHBondContact O-N 2.81Å; L495-Y498 CarbonylContact O-C 3.55Å; L495-Y498 PolarHBondContact O-N 3.41Å; L495-E499 PolarHBondContact O-N 2.81Å; L495-F503 HydrophobicContact CD1-CD2 3.69Å; L495-F503 HydrophobicContact CD1-CE2 3.74Å; L495-F503 HydrophobicContact CD1-CG 4.34Å; L495-F503 HydrophobicContact CD1-CZ 4.44Å; L495-F503 HydrophobicContact CG-CD2 3.87Å; L495-F503 HydrophobicContact CG-CE2 4.19Å |
| 496 | D | 86.6 | Confident | 88 | Confident | 58 Ų | 58 | 92.4 Ų | 92.4 | 31% | 0.31 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -64.5 | -28.9 | -176.5 | -62.9 | -17.6 | 0 | 0 | 0 | 112.1 | V478 Y498 | V478-D496 PolarHBondContact O-N 2.98Å; D496-Y498 VanDerWaalsContact C-N 3.27Å; D496-Y498 PolarHBondContact O-N 3.29Å |
| 497 | R | 83.4 | Confident | 88.2 | Confident | 193 Ų | 193 | 86.4 Ų | 86.4 | 73% | 0.728 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -71.5 | -20 | 175.2 | -72.5 | -170.2 | 178 | -174.9 | 0.1 | 114 | L495 | L495-R497 PolarHBondContact O-N 2.81Š|
| 498 | Y | 81.1 | Confident | 88.3 | Confident | 110 Ų | 110 | 84.2 Ų | 84.2 | 43% | 0.431 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -136.6 | 68.2 | -175.2 | -60.5 | -75.5 | 0 | 0 | 0 | 108.9 | L495 D496 E500 K501 | L495-Y498 CarbonylContact O-C 3.55Å; L495-Y498 PolarHBondContact O-N 3.41Å; D496-Y498 VanDerWaalsContact C-N 3.27Å; D496-Y498 PolarHBondContact O-N 3.29Å; Y498-E500 PolarHBondContact O-N 2.88Å; Y498-K501 PolarHBondContact O-N 3.16Å |
| 499 | E | 74.2 | Confident | 88.5 | Confident | 151 Ų | 151 | 78.3 Ų | 78.3 | 71% | 0.706 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -27.7 | -175.7 | -66.6 | -174.8 | 164.1 | 0 | 0 | 113.2 | Q494 L495 | Q494-E499 PolarHBondContact NE2-O 2.89Å; L495-E499 PolarHBondContact O-N 2.81Å |
| 500 | E | 75.6 | Confident | 88.6 | Confident | 197 Ų | 197 | 74.9 Ų | 74.9 | 92% | 0.921 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -11.6 | -179.2 | -63.2 | -177.4 | 165.7 | 0 | 0 | 114.6 | Y498 | Y498-E500 PolarHBondContact O-N 2.88Š|
| 501 | K | 85.8 | Confident | 88.8 | Confident | 127 Ų | 127 | 69.5 Ų | 69.5 | 55% | 0.552 | 33% | 0.329 | S | S | * | . | trans | -111.4 | 131.4 | -173.8 | -69.9 | -176.3 | 179.8 | 177.4 | 0 | 112.4 | Y498 F503 | Y498-K501 PolarHBondContact O-N 3.16Å; K501-F503 HydrophobicContact CB-CE2 3.75Å; K501-F503 HydrophobicContact CB-CZ 4.02Å; K501-F503 HydrophobicContact CD-CZ 4.42Å | ||
| 502 | L | 88.1 | Confident | 89 | Confident | 96 Ų | 96 | 70.7 Ų | 70.7 | 50% | 0.503 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 131.9 | 174.6 | -60.5 | 178.5 | 0 | 0 | 0 | 110.3 | L482 Q494 | L482-L502 HydrophobicContact CD1-CD1 4.39Å; L482-L502 HydrophobicContact CD1-CD2 3.4Å; Q494-L502 HydrophobicContact CB-CD2 3.83Å; Q494-L502 HydrophobicContact CG-CD2 4.12Å |
| 503 | F | 89.7 | Confident | 89.1 | Confident | 40 Ų | 40 | 70 Ų | 70 | 18% | 0.175 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.5 | 178.8 | -63.7 | -88.4 | 0 | 0 | 0 | 110 | H474 M492 V493 L495 K501 L505 | H474-F503 AromaticContact CD2-CD1 3.85Å; H474-F503 AromaticContact CD2-CE1 3.82Å; H474-F503 AromaticContact CE1-CE1 3.92Å; H474-F503 AromaticContact NE2-CD1 3.67Å; H474-F503 AromaticContact NE2-CE1 3.22Å; H474-F503 WeakPolarHBondContact NE2-CE1 3.47Å; H474-F503 AromaticContact NE2-CZ 3.91Å; M492-F503 WeakPolarHBondContact CA-O 3.3Å; V493-F503 PolarHBondContact N-O 3.18Å; V493-F503 PolarHBondContact O-N 2.83Å; L495-F503 HydrophobicContact CD1-CD2 3.69Å; L495-F503 HydrophobicContact CD1-CE2 3.74Å; L495-F503 HydrophobicContact CD1-CG 4.34Å; L495-F503 HydrophobicContact CD1-CZ 4.44Å; L495-F503 HydrophobicContact CG-CD2 3.87Å; L495-F503 HydrophobicContact CG-CE2 4.19Å; K501-F503 HydrophobicContact CB-CE2 3.75Å; K501-F503 HydrophobicContact CB-CZ 4.02Å; K501-F503 HydrophobicContact CD-CZ 4.42Å; F503-L505 HydrophobicContact CB-CD1 4.49Å; F503-L505 HydrophobicContact CB-CD2 4.42Å; F503-L505 HydrophobicContact CB-CG 4.17Å |
| 504 | T | 92.6 | Very high | 89.1 | Confident | 86 Ų | 86 | 72.7 Ų | 72.7 | 53% | 0.528 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 107.2 | 172.3 | -53.4 | 0 | 0 | 0 | 0 | 108.6 | R490 A491 | R490-T504 HydrophobicContact CB-CG2 4.24Å; R490-T504 HydrophobicContact CG-CG2 4.5Å; A491-T504 WeakPolarHBondContact O-CA 3.36Å |
| 505 | L | 92.9 | Very high | 88.7 | Confident | 26 Ų | 26 | 70.2 Ų | 70.2 | 14% | 0.136 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 147.7 | -176.1 | -60.6 | 175.9 | 0 | 0 | 0 | 111.1 | V469 R490 A491 V493 F503 I510 | V469-L505 HydrophobicContact CB-CD1 4.5Å; V469-L505 HydrophobicContact CG1-CD1 4.22Å; V469-L505 HydrophobicContact CG2-CD1 3.53Å; R490-L505 CarbonylContact C-O 3.5Å; R490-L505 WeakPolarHBondContact CA-O 3.42Å; A491-L505 PolarHBondContact N-O 2.88Å; A491-L505 PolarHBondContact O-N 3.43Å; V493-L505 HydrophobicContact CB-CD1 4.26Å; V493-L505 HydrophobicContact CG2-CD1 4.26Å; F503-L505 HydrophobicContact CB-CD1 4.49Å; F503-L505 HydrophobicContact CB-CD2 4.42Å; F503-L505 HydrophobicContact CB-CG 4.17Å; L505-I510 HydrophobicContact CB-CG2 3.87Å; L505-I510 HydrophobicContact CD1-CG2 3.64Å; L505-I510 HydrophobicContact CG-CG2 4.42Å |
| 506 | D | 93 | Very high | 87.7 | Confident | 68 Ų | 68 | 74.2 Ų | 74.2 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 150.3 | 173.8 | -62.3 | -30.3 | 0 | 0 | 0 | 110.4 | R490 D508 S509 | R490-D506 WeakPolarHBondContact CG-OD1 3.25Å; R490-D506 IonicContact CZ-OD1 2.68Å; R490-D506 IonicContact NE-OD1 2.7Å; R490-D506 PolarHBondContact NE-OD1 3.45Å; R490-D506 IonicContact NH2-OD1 2.67Å; D506-D508 PolarHBondContact O-N 3.01Å; D506-S509 WeakPolarHBondContact O-CA 3.37Å; D506-S509 WeakPolarHBondContact O-CB 3.43Å; D506-S509 PolarHBondContact O-N 3.39Å |
| 507 | Y | 91.1 | Very high | 86.3 | Confident | 44 Ų | 44 | 74.1 Ų | 74.1 | 17% | 0.173 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -59.3 | -31.4 | -179.5 | -75.2 | 1.1 | 0 | 0 | 0 | 113.7 | T457 V459 C489 R490 A491 S509 I510 | T457-Y507 PolarHBondContact OG1-O 3.25Å; V459-Y507 HydrophobicContact CG2-CD1 4.03Å; V459-Y507 HydrophobicContact CG2-CD2 4.28Å; V459-Y507 HydrophobicContact CG2-CG 3.82Å; C489-Y507 HydrophobicContact CB-CD2 4.17Å; C489-Y507 HydrophobicContact CB-CG 4.38Å; C489-Y507 WeakPolarHBondContact O-CD1 3.49Å; C489-Y507 PolarHBondContact O-N 3.43Å; R490-Y507 WeakPolarHBondContact O-CE1 3.45Å; A491-Y507 HydrophobicContact CB-CD1 4.27Å; A491-Y507 HydrophobicContact CB-CE1 3.9Å; Y507-S509 PolarHBondContact O-N 2.96Å; Y507-I510 HydrophobicContact CD1-CD1 4.41Å; Y507-I510 PolarHBondContact O-N 3.44Å |
| 508 | D | 90.7 | Very high | 84.3 | Confident | 119 Ų | 119 | 72.7 Ų | 72.7 | 64% | 0.636 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -71.2 | -18.6 | 176.7 | -64.5 | -9.4 | 0 | 0 | 0 | 112.3 | D506 | D506-D508 PolarHBondContact O-N 3.01Š|
| 509 | S | 92.4 | Very high | 82.3 | Confident | 25 Ų | 25 | 76.5 Ų | 76.5 | 18% | 0.175 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -92.9 | -3.4 | -179.9 | -59.2 | 0 | 0 | 0 | 0 | 113.5 | V469 V470 L471 D506 Y507 | V469-S509 CarbonylContact C-O 3.58Å; V469-S509 WeakPolarHBondContact CA-O 3.49Å; V470-S509 WeakPolarHBondContact CG2-O 3.22Å; V470-S509 PolarHBondContact N-O 3.33Å; L471-S509 PolarHBondContact N-O 2.83Å; D506-S509 WeakPolarHBondContact O-CA 3.37Å; D506-S509 WeakPolarHBondContact O-CB 3.43Å; D506-S509 PolarHBondContact O-N 3.39Å; Y507-S509 PolarHBondContact O-N 2.96Å |
| 510 | I | 93.8 | Very high | 82.7 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 149.4 | -179.1 | 60.5 | 172.9 | 0 | 0 | 0 | 111.4 | T457 V459 M468 V469 I481 A491 V493 L505 Y507 | T457-I510 WeakPolarHBondContact CB-O 3.31Å; V459-I510 HydrophobicContact CG1-CD1 4.29Å; V459-I510 HydrophobicContact CG2-CD1 4.24Å; V459-I510 HydrophobicContact CG2-CG1 4.1Å; M468-I510 CarbonylContact O-C 3.58Å; M468-I510 WeakPolarHBondContact O-CA 3.38Å; V469-I510 HydrophobicContact CG2-CG2 4.36Å; I481-I510 HydrophobicContact CD1-CD1 4.32Å; A491-I510 HydrophobicContact CB-CD1 3.66Å; V493-I510 HydrophobicContact CG2-CD1 4.18Å; V493-I510 HydrophobicContact CG2-CG2 4.39Å; L505-I510 HydrophobicContact CB-CG2 3.87Å; L505-I510 HydrophobicContact CD1-CG2 3.64Å; L505-I510 HydrophobicContact CG-CG2 4.42Å; Y507-I510 HydrophobicContact CD1-CD1 4.41Å; Y507-I510 PolarHBondContact O-N 3.44Å |
| 511 | C | 95.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 148.4 | 178.9 | -167.9 | 0 | 0 | 0 | 0 | 110.6 | L407 K408 T457 I458 V467 M468 V470 Y513 | L407-C511 HydrophobicContact CD1-CB 4.22Å; L407-C511 HydrophobicContact CD2-CB 4.02Å; K408-C511 PolarHBondContact O-SG 2.87Å; T457-C511 HydrophobicContact CG2-CB 4Å; I458-C511 CarbonylContact O-C 3.55Å; V467-C511 CarbonylContact C-O 3.57Å; V467-C511 VanDerWaalsContact CA-O 3.28Å; V467-C511 WeakPolarHBondContact CA-O 3.26Å; M468-C511 PolarHBondContact N-O 3.33Å; M468-C511 PolarHBondContact O-N 2.78Å; V470-C511 HydrophobicContact CG1-CB 3.81Å; C511-Y513 PolarHBondContact O-N 2.77Å |
| 512 | H | 95.2 | Very high | 82.9 | Confident | 28 Ų | 28 | 62.9 Ų | 62.9 | 13% | 0.13 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 124 | 176.8 | -175.4 | 172.8 | 0 | 0 | 0 | 109.8 | L407 K408 I458 P460 A466 | L407-H512 CarbonylContact C-O 3.5Å; L407-H512 WeakPolarHBondContact CA-O 3.46Å; K408-H512 HydrophobicContact CB-CB 4.07Å; K408-H512 PolarHBondContact N-O 2.64Å; I458-H512 VanDerWaalsContact O-CB 3.3Å; I458-H512 WeakPolarHBondContact O-CB 3.41Å; I458-H512 PolarHBondContact O-N 2.94Å; P460-H512 HydrophobicContact CB-CB 4.29Å; P460-H512 HydrophobicContact CG-CB 4.07Å; A466-H512 PolarHBondContact O-CD2 2.86Å |
| 513 | Y | 94.6 | Very high | 82.6 | Confident | 38 Ų | 38 | 60.9 Ų | 60.9 | 15% | 0.149 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 126 | 177 | -176.8 | -110.5 | 0 | 0 | 0 | 110.8 | D406 L407 A466 M468 V478 C511 | D406-Y513 HydrophobicContact CB-CD2 4.21Å; D406-Y513 HydrophobicContact CB-CE2 3.73Å; L407-Y513 HydrophobicContact CD2-CD2 4.47Å; A466-Y513 HydrophobicContact CB-CD1 4.27Å; A466-Y513 PolarHBondContact O-N 3.46Å; M468-Y513 HydrophobicContact CB-CD2 4.27Å; M468-Y513 HydrophobicContact CB-CG 4.43Å; M468-Y513 HydrophobicContact CE-CD2 3.49Å; M468-Y513 VanDerWaalsContact CE-CD2 3.49Å; M468-Y513 HydrophobicContact CE-CE2 3.37Å; M468-Y513 HydrophobicContact CE-CG 4.36Å; M468-Y513 HydrophobicContact SD-CD2 4.44Å; V478-Y513 HydrophobicContact CG1-CD1 3.82Å; V478-Y513 HydrophobicContact CG1-CE1 4.31Å; V478-Y513 HydrophobicContact CG1-CG 4.41Å; V478-Y513 HydrophobicContact CG2-CD1 3.98Å; V478-Y513 HydrophobicContact CG2-CD2 4.48Å; V478-Y513 HydrophobicContact CG2-CE1 4Å; V478-Y513 HydrophobicContact CG2-CE2 4.49Å; V478-Y513 HydrophobicContact CG2-CG 4.22Å; C511-Y513 PolarHBondContact O-N 2.77Å |
| 514 | V | 91.4 | Very high | 82.2 | Confident | 58 Ų | 58 | 62.3 Ų | 62.3 | 35% | 0.352 | 35% | 0.349 | S | S | . | . | trans | -117.9 | 13.1 | -178.6 | -164.3 | 0 | 0 | 0 | 0 | 110.9 | D406 K408 R427 | D406-V514 PolarHBondContact O-N 2.74Å; K408-V514 HydrophobicContact CB-CG2 3.75Å; K408-V514 HydrophobicContact CD-CG2 4.31Å; R427-V514 PolarHBondContact NH2-O 2.63Å | ||
| 515 | G | 84.6 | Confident | 81.5 | Confident | 10 Ų | 10 | 60.7 Ų | 60.7 | 10% | 0.103 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -71.9 | 161.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S517 | G515-S517 PolarHBondContact O-N 2.9Š|
| 516 | A | 68.8 | Low | 80.7 | Confident | 84 Ų | 84 | 63.1 Ų | 63.1 | 69% | 0.694 | 35% | 0.352 | S | S | * | . | trans | -63.4 | 109.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | D518 | A516-D518 VanDerWaalsContact C-N 3.34Å; A516-D518 PolarHBondContact O-N 3.36Å; A516-D518 VanDerWaalsContact O-N 3.11Å | ||
| 517 | S | 57 | Low | 79.7 | Confident | 56 Ų | 56 | 62.8 Ų | 62.8 | 39% | 0.392 | 35% | 0.351 | S | S | . | . | trans | -68.9 | 100 | 160.2 | -58.4 | 0 | 0 | 0 | 0 | 105.6 | G515 H519 | G515-S517 PolarHBondContact O-N 2.9Å; S517-H519 VanDerWaalsContact C-N 3.27Å; S517-H519 PolarHBondContact O-N 2.85Å | ||
| 518 | D | 43.4 | Very low | 78.8 | Confident | 163 Ų | 163 | 64.3 Ų | 64.3 | 87% | 0.872 | 37% | 0.366 | S | S | * | . | trans | -60.3 | 99.1 | 164 | -78.3 | -30.2 | 0 | 0 | 0 | 106.8 | A516 | A516-D518 VanDerWaalsContact C-N 3.34Å; A516-D518 PolarHBondContact O-N 3.36Å; A516-D518 VanDerWaalsContact O-N 3.11Å | ||
| 519 | H | 38.3 | Very low | 77.7 | Confident | 191 Ų | 191 | 59.4 Ų | 59.4 | 88% | 0.884 | 34% | 0.341 | S | S | * | . | trans | -116.1 | 0 | 165.1 | -84.7 | -40.4 | 0 | 0 | 0 | 108.2 | R480 S517 | R480-H519 PolarHBondContact NH2-NE2 2.74Å; S517-H519 VanDerWaalsContact C-N 3.27Å; S517-H519 PolarHBondContact O-N 2.85Å |
Retrieved 519 of 519 residues in 134.6 ms
(Link to these results)