| 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 | 36 | Very low | 45.3 | Very low | 227 Ų | 227 | 160.6 Ų | 160.6 | 100% | 1.118 | 84% | 0.836 | S | S | * | * | 0 | 151.5 | 0 | -92.4 | 60 | 172.7 | 0 | 0 | 108.7 | |||||
| 2 | D | 38.6 | Very low | 45.8 | Very low | 156 Ų | 156 | 156.6 Ų | 156.6 | 83% | 0.834 | 83% | 0.827 | S | S | * | * | trans | 59.2 | 131.2 | 160.4 | -65 | -69.5 | 0 | 0 | 0 | 123 | ||||
| 3 | R | 47.9 | Very low | 46.3 | Very low | 230 Ų | 230 | 152.9 Ų | 152.9 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | trans | -68.7 | 166.7 | 158.6 | -54.1 | 159.3 | 166.1 | -173.4 | -7.6 | 109.4 | ||||
| 4 | S | 46.5 | Very low | 46.5 | Very low | 120 Ų | 120 | 150.6 Ų | 150.6 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | 175.5 | 136.2 | 115.5 | -77.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 5 | S | 46.3 | Very low | 46.3 | Very low | 113 Ų | 113 | 152.9 Ų | 152.9 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | trans | -83.2 | 162.3 | 149 | -46 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 6 | P | 56.4 | Low | 46.5 | Very low | 110 Ų | 110 | 155.2 Ų | 155.2 | 71% | 0.714 | 83% | 0.826 | S | S | * | * | -150.7 | 173.8 | 80.1 | 40.1 | -21.6 | 0 | 0 | 0 | 116.4 | |||||
| 7 | D | 44.5 | Very low | 46.2 | Very low | 144 Ų | 144 | 155.4 Ų | 155.4 | 77% | 0.77 | 83% | 0.827 | S | S | * | * | trans | 29 | 126.8 | 147 | -58 | -43.9 | 0 | 0 | 0 | 121.8 | ||||
| 8 | D | 50.2 | Low | 46.1 | Very low | 155 Ų | 155 | 152.5 Ų | 152.5 | 83% | 0.829 | 83% | 0.829 | S | S | * | * | -140.4 | 160.7 | 128.4 | -152.8 | -13.8 | 0 | 0 | 0 | 110.3 | |||||
| 9 | K | 45.3 | Very low | 46.2 | Very low | 170 Ų | 170 | 153.8 Ų | 153.8 | 74% | 0.739 | 83% | 0.829 | S | S | * | * | trans | -119.5 | 133 | -167.4 | -64.1 | 175.6 | -179.7 | 175.4 | 0 | 112.7 | ||||
| 10 | Q | 43.9 | Very low | 45.9 | Very low | 193 Ų | 193 | 154.6 Ų | 154.6 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | -153.1 | 140.6 | 153.7 | -107.8 | 129.1 | 88.8 | 0 | 0 | 112.2 | ||||
| 11 | N | 42.6 | Very low | 45.9 | Very low | 149 Ų | 149 | 156.4 Ų | 156.4 | 80% | 0.797 | 83% | 0.833 | S | S | * | * | trans | -156.1 | 125.6 | 175.1 | -173.6 | 31.3 | 0 | 0 | 0 | 105.3 | ||||
| 12 | P | 51.3 | Low | 46.1 | Very low | 112 Ų | 112 | 153.4 Ų | 153.4 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | -145.2 | -164.6 | 90.6 | 41.4 | -23.3 | 0 | 0 | 0 | 110.7 | |||||
| 13 | P | 52.7 | Low | 46.3 | Very low | 109 Ų | 109 | 152.2 Ų | 152.2 | 71% | 0.708 | 81% | 0.814 | S | S | * | * | cis | -123.3 | 180 | -2.6 | 42.8 | -26.7 | 0 | 0 | 0 | 113.5 | ||||
| 14 | P | 48.3 | Very low | 46.3 | Very low | 121 Ų | 121 | 147.4 Ų | 147.4 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | -79.2 | 159.6 | -177.1 | 33 | -36.6 | 0 | 0 | 0 | 113.3 | ||||
| 15 | M | 43.3 | Very low | 46.1 | Very low | 184 Ų | 184 | 149.3 Ų | 149.3 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -107.5 | 152.9 | 156.7 | -65 | -159.7 | -56.8 | 0 | 0 | 109.3 | ||||
| 16 | E | 50.6 | Low | 45.8 | Very low | 190 Ų | 190 | 149 Ų | 149 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -85.1 | 165.8 | -170.8 | -62.2 | 174.5 | 140.9 | 0 | 0 | 112.4 | ||||
| 17 | D | 41.5 | Very low | 45 | Very low | 159 Ų | 159 | 149.9 Ų | 149.9 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -70.3 | 144 | -163.6 | -48.8 | -84.1 | 0 | 0 | 0 | 114.3 | ||||
| 18 | A | 43.8 | Very low | 44.7 | Very low | 103 Ų | 103 | 151.2 Ų | 151.2 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -135.3 | 68.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110.1 | E20 | A18-E20 PolarHBondContact O-N 3.35Š| ||
| 19 | E | 47.8 | Very low | 44.4 | Very low | 177 Ų | 177 | 151.7 Ų | 151.7 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | -75.5 | 114.5 | 174.2 | -73.7 | -169.8 | 156.8 | 0 | 0 | 111.6 | ||||
| 20 | E | 40.8 | Very low | 44.4 | Very low | 170 Ų | 170 | 151.5 Ų | 151.5 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | 45 | 119.3 | 131.3 | -55.6 | -173.5 | 172.8 | 0 | 0 | 120.1 | A18 | A18-E20 PolarHBondContact O-N 3.35Š| ||
| 21 | M | 45.2 | Very low | 43.9 | Very low | 192 Ų | 192 | 149.2 Ų | 149.2 | 95% | 0.946 | 81% | 0.808 | S | S | * | * | -140.3 | 133.4 | 124 | -145.9 | 172.9 | -163.8 | 0 | 0 | 110.6 | |||||
| 22 | E | 40.3 | Very low | 43.5 | Very low | 164 Ų | 164 | 149.8 Ų | 149.8 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | trans | -75.4 | 138.3 | -169 | -57.8 | 177.6 | 111.1 | 0 | 0 | 113.1 | ||||
| 23 | V | 43.5 | Very low | 43.1 | Very low | 132 Ų | 132 | 152.2 Ų | 152.2 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | trans | -103.7 | 101.3 | 160.7 | 179 | 0 | 0 | 0 | 0 | 107.9 | M25 | V23-M25 PolarHBondContact O-N 3.41Š| ||
| 24 | T | 48.4 | Very low | 42.1 | Very low | 128 Ų | 128 | 153.5 Ų | 153.5 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -73.7 | 117.2 | 179.7 | 31 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 25 | M | 41.4 | Very low | 41.4 | Very low | 160 Ų | 160 | 152.9 Ų | 152.9 | 79% | 0.788 | 82% | 0.816 | S | S | * | * | trans | -86.8 | 161.8 | -180 | -80 | -94.3 | -169.4 | 0 | 0 | 112.9 | V23 | V23-M25 PolarHBondContact O-N 3.41Š| ||
| 26 | S | 39.3 | Very low | 41.2 | Very low | 106 Ų | 106 | 151.6 Ų | 151.6 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | 71.7 | 154.6 | 167.6 | -8.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 27 | T | 40.9 | Very low | 40.7 | Very low | 129 Ų | 129 | 149.4 Ų | 149.4 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | cis | -159 | 157.2 | 15 | -8.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 28 | Q | 37.4 | Very low | 40.6 | Very low | 173 Ų | 173 | 149.3 Ų | 149.3 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | cis | -141.7 | 169.4 | 10.9 | -56.8 | 177.8 | -59.4 | 0 | 0 | 110.7 | ||||
| 29 | L | 44.2 | Very low | 40 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | -124 | 173.6 | 141.5 | -92.3 | 175.1 | 0 | 0 | 0 | 107.9 | ||||
| 30 | E | 44.4 | Very low | 39.3 | Very low | 166 Ų | 166 | 148 Ų | 148 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | 65.4 | 102.4 | 175.7 | -54.6 | -174.8 | 159.5 | 0 | 0 | 116.6 | ||||
| 31 | N | 34.6 | Very low | 38.9 | Very low | 146 Ų | 146 | 147 Ų | 147 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | 169.8 | 118.4 | 107.5 | -91.8 | -70.3 | 0 | 0 | 0 | 111.4 | |||||
| 32 | L | 34.2 | Very low | 38.2 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | 177.7 | 124.7 | 115.9 | -115.6 | 92.2 | 0 | 0 | 0 | 110.5 | |||||
| 33 | L | 41.5 | Very low | 37.7 | Very low | 162 Ų | 162 | 144.3 Ų | 144.3 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | -83.2 | 150.2 | 141.8 | -68.9 | 82.3 | 0 | 0 | 0 | 107.4 | ||||
| 34 | V | 32.2 | Very low | 37.2 | Very low | 136 Ų | 136 | 142.4 Ų | 142.4 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -177 | 166.6 | 135.5 | 140.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 35 | T | 34.3 | Very low | 36.4 | Very low | 109 Ų | 109 | 144.7 Ų | 144.7 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | trans | -104.6 | 145.6 | -155 | 50.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 36 | K | 39.1 | Very low | 35.9 | Very low | 156 Ų | 156 | 145 Ų | 145 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | 62 | 155.4 | 133.5 | -65.9 | 177.7 | 72.7 | -130.8 | 0 | 122.7 | ||||
| 37 | E | 38.9 | Very low | 35.6 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 67% | 0.673 | 78% | 0.776 | S | S | * | * | trans | 73 | 167.3 | 146 | 69 | -141.5 | 111.2 | 0 | 0 | 121.8 | ||||
| 38 | D | 40.1 | Very low | 35.1 | Very low | 157 Ų | 157 | 146.7 Ų | 146.7 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | trans | -85.3 | 155.2 | -138.6 | -57.3 | -92.6 | 0 | 0 | 0 | 118.3 | ||||
| 39 | A | 31.5 | Very low | 34.7 | Very low | 101 Ų | 101 | 141.9 Ų | 141.9 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | -155.3 | 150.8 | 145.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 40 | I | 33.4 | Very low | 34.4 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -116.6 | 162.3 | 178.7 | -56.9 | 172.2 | 0 | 0 | 0 | 108.9 | ||||
| 41 | Q | 32.3 | Very low | 34.5 | Very low | 149 Ų | 149 | 140 Ų | 140 | 70% | 0.696 | 78% | 0.778 | S | S | * | * | trans | 122 | 98.3 | 138 | -154.2 | 78.6 | 26.9 | 0 | 0 | 118.4 | ||||
| 42 | T | 29.9 | Very low | 34.2 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | trans | 67.8 | 161.7 | 149.1 | 64.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 43 | Q | 29.7 | Very low | 34 | Very low | 187 Ų | 187 | 135.6 Ų | 135.6 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | cis | -132.7 | -179.5 | 17.5 | -68.5 | 179.1 | 16.1 | 0 | 0 | 114.5 | ||||
| 44 | A | 33.5 | Very low | 33.6 | Very low | 91 Ų | 91 | 134 Ų | 134 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -59.7 | -178.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 45 | E | 32.3 | Very low | 33.4 | Very low | 177 Ų | 177 | 130.8 Ų | 130.8 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | cis | -148.7 | 168.8 | 25.9 | -62.3 | 178.2 | 103.4 | 0 | 0 | 115.2 | ||||
| 46 | E | 30.7 | Very low | 33.2 | Very low | 167 Ų | 167 | 130.8 Ų | 130.8 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | 79.2 | 149.6 | 144.6 | -126.7 | -178.3 | 86.9 | 0 | 0 | 125 | ||||
| 47 | T | 32.4 | Very low | 32.9 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | trans | 83.9 | 100.5 | 162 | 63.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 48 | D | 30.3 | Very low | 32.5 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | 48.4 | 108.1 | 130.9 | -61.7 | -37.8 | 0 | 0 | 0 | 124 | ||||
| 49 | G | 30 | Very low | 32.2 | Very low | 73 Ų | 73 | 131.9 Ų | 131.9 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | 92.2 | 90.9 | 90.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 50 | L | 37.1 | Very low | 32.2 | Very low | 178 Ų | 178 | 133.8 Ų | 133.8 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | trans | -89.8 | 144.1 | 160.9 | -74.2 | 171.1 | 0 | 0 | 0 | 112.1 | ||||
| 51 | P | 45.4 | Very low | 32.3 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -100.2 | 134.5 | 177.2 | 35.6 | -31.4 | 0 | 0 | 0 | 113.9 | ||||
| 52 | S | 29.6 | Very low | 32.2 | Very low | 130 Ų | 130 | 130 Ų | 130 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | 153.8 | 118.6 | 134 | -71.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 53 | G | 30.7 | Very low | 32.3 | Very low | 85 Ų | 85 | 133.9 Ų | 133.9 | 88% | 0.876 | 79% | 0.788 | S | S | * | * | trans | 166.9 | 100.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 54 | S | 31.7 | Very low | 32.3 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -98.7 | 134.9 | -174.3 | 55.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 55 | G | 28 | Very low | 32.3 | Very low | 68 Ų | 68 | 131.3 Ų | 131.3 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | 172.9 | 88.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 56 | C | 30.3 | Very low | 32.1 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | 21.9 | 101.8 | 150.5 | 55.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 57 | E | 32.1 | Very low | 31.9 | Very low | 171 Ų | 171 | 128 Ų | 128 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | 63.1 | 149.5 | 109.6 | -66.6 | 166.5 | 125.1 | 0 | 0 | 123.4 | |||||
| 58 | N | 31.6 | Very low | 31.8 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | 82.3 | 138.6 | 166.9 | -48 | -32.6 | 0 | 0 | 0 | 118.9 | ||||
| 59 | E | 34.5 | Very low | 31.7 | Very low | 167 Ų | 167 | 126.9 Ų | 126.9 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | cis | -159.3 | 160.6 | -23.5 | -108.9 | -158.1 | 131 | 0 | 0 | 109 | ||||
| 60 | D | 31.3 | Very low | 31.9 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | 68.7 | 147.6 | 151.9 | -116.9 | -26.4 | 0 | 0 | 0 | 123.4 | ||||
| 61 | S | 34.5 | Very low | 31.6 | Very low | 81 Ų | 81 | 126.3 Ų | 126.3 | 57% | 0.566 | 76% | 0.761 | S | S | * | * | 138.9 | 23.8 | 125.2 | -51.3 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 62 | N | 30.2 | Very low | 31 | Very low | 141 Ų | 141 | 125.8 Ų | 125.8 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | 47.8 | 112.4 | 144.7 | -62.5 | -35.1 | 0 | 0 | 0 | 123.5 | ||||
| 63 | K | 32.7 | Very low | 31 | Very low | 194 Ų | 194 | 127.5 Ų | 127.5 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | 69.2 | 104.9 | 122.2 | -170.1 | -176.9 | 176.5 | -177.1 | 0 | 122.9 | |||||
| 64 | S | 29.7 | Very low | 31.2 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | 47.3 | 136.1 | 124.5 | -168.1 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 65 | V | 32.8 | Very low | 32.5 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | -176.2 | 144.1 | 115.9 | 146.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 66 | H | 28.9 | Very low | 32.5 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 68% | 0.676 | 74% | 0.742 | S | S | * | * | trans | -15.9 | 158.6 | 164.7 | -59.8 | -93 | 0 | 0 | 0 | 120.4 | ||||
| 67 | T | 25.9 | Very low | 32.8 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | -162.7 | 129.4 | 60.9 | 50.5 | 0 | 0 | 0 | 0 | 118 | |||||
| 68 | D | 29.5 | Very low | 32.7 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 68% | 0.679 | 74% | 0.742 | S | S | * | * | 55.1 | 121.1 | 118.6 | -66.3 | 36.5 | 0 | 0 | 0 | 125.8 | |||||
| 69 | T | 29.3 | Very low | 33.1 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | 102.5 | 99.7 | 114.7 | -66.7 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 70 | S | 34.8 | Very low | 33.2 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | 96.6 | 150.7 | 124.4 | -75.7 | 0 | 0 | 0 | 0 | 126.7 | |||||
| 71 | T | 30.1 | Very low | 33.1 | Very low | 136 Ų | 136 | 133 Ų | 133 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | trans | 94.5 | 136.2 | 162 | -40.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 72 | S | 33.5 | Very low | 32.9 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | cis | -164.9 | -172.1 | -23.7 | 60.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 73 | H | 29.4 | Very low | 33.5 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | cis | -154.5 | -158 | 5.8 | -159.2 | -106.1 | 0 | 0 | 0 | 111 | ||||
| 74 | L | 35.1 | Very low | 33.3 | Very low | 146 Ų | 146 | 130 Ų | 130 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | trans | -150.8 | -175.9 | -173.3 | -78.5 | 179 | 0 | 0 | 0 | 111.7 | ||||
| 75 | P | 58.8 | Low | 33.4 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | cis | -135.5 | -166.7 | -34.9 | 36.4 | -16.1 | 0 | 0 | 0 | 113.6 | ||||
| 76 | E | 27.1 | Very low | 33.2 | Very low | 173 Ų | 173 | 133.6 Ų | 133.6 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | 162.3 | 112.2 | 119.1 | -141.6 | 162.1 | 108.4 | 0 | 0 | 110.7 | |||||
| 77 | V | 36.3 | Very low | 33.3 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | 38 | 153 | 94.2 | -95.2 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 78 | N | 30.2 | Very low | 33.4 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | cis | -149.9 | -171.1 | 26.2 | -156.8 | 63.8 | 0 | 0 | 0 | 116.1 | ||||
| 79 | D | 40.8 | Very low | 33.6 | Very low | 119 Ų | 119 | 135 Ų | 135 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | trans | -121.1 | 179.8 | -145.7 | -155.9 | -32.4 | 0 | 0 | 0 | 115.6 | ||||
| 80 | H | 35.3 | Very low | 33.6 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | trans | 93.7 | 122 | 151 | -59.8 | -16.5 | 0 | 0 | 0 | 124.1 | ||||
| 81 | N | 30.4 | Very low | 33.4 | Very low | 161 Ų | 161 | 137 Ų | 137 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | 129.9 | 152.2 | 115 | -141.9 | 4.8 | 0 | 0 | 0 | 119.6 | |||||
| 82 | L | 29.2 | Very low | 33.4 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | -118.7 | -174.6 | 177 | -87.2 | 166.5 | 0 | 0 | 0 | 109.2 | ||||
| 83 | P | 43.8 | Very low | 33.1 | Very low | 106 Ų | 106 | 140 Ų | 140 | 69% | 0.688 | 75% | 0.749 | S | S | * | * | cis | -142.8 | -172.1 | 11.3 | 45.6 | -26.4 | 0 | 0 | 0 | 117.9 | ||||
| 84 | S | 29.1 | Very low | 33.2 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | trans | 83.6 | 122.4 | 143.7 | -67.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 85 | E | 31.1 | Very low | 32.9 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | 78.8 | 104.8 | 132 | -74.1 | -158.6 | 82.2 | 0 | 0 | 124.7 | ||||
| 86 | N | 28 | Very low | 31.7 | Very low | 133 Ų | 133 | 139.9 Ų | 139.9 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | 92.6 | 151.7 | 111.7 | -153.3 | -8.3 | 0 | 0 | 0 | 120 | |||||
| 87 | Q | 32.3 | Very low | 32.1 | Very low | 180 Ų | 180 | 137.3 Ų | 137.3 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | trans | 75.8 | 123.1 | 171.5 | -51.3 | -174.3 | 39.5 | 0 | 0 | 120.4 | ||||
| 88 | G | 28.2 | Very low | 32 | Very low | 69 Ų | 69 | 140.3 Ų | 140.3 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | 128 | 89.2 | 122.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 89 | K | 33.3 | Very low | 32.5 | Very low | 183 Ų | 183 | 137.5 Ų | 137.5 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | 62.5 | 117.3 | 125.8 | -75.7 | -177.4 | 158.4 | -107.7 | 0 | 123.6 | |||||
| 90 | E | 29.8 | Very low | 32.4 | Very low | 141 Ų | 141 | 141 Ų | 141 | 66% | 0.659 | 78% | 0.775 | S | S | * | * | 90.7 | 94.3 | 107.4 | -154.5 | 175.7 | 149.7 | 0 | 0 | 122.4 | |||||
| 91 | V | 30.3 | Very low | 32.2 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | trans | 50 | 150.9 | 132 | -153.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 92 | Q | 29.2 | Very low | 32.5 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | 104.4 | 113.3 | 160 | -58.1 | 179.5 | 82 | 0 | 0 | 114.8 | ||||
| 93 | V | 27.4 | Very low | 32.5 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | 81.3 | 110 | 53 | 175.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 94 | A | 30.6 | Very low | 32 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | -160.7 | 154.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 95 | M | 30.2 | Very low | 32.1 | Very low | 178 Ų | 178 | 140.4 Ų | 140.4 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -126.2 | 141.1 | 179.7 | -49.7 | 166.7 | -168.7 | 0 | 0 | 109.1 | ||||
| 96 | V | 33.2 | Very low | 32.4 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | trans | -142 | 128 | 169.2 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 97 | T | 36.2 | Very low | 32.8 | Very low | 118 Ų | 118 | 144.9 Ų | 144.9 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | trans | -89.4 | 169.1 | 171.2 | 50.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 98 | H | 34.3 | Very low | 32.9 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | trans | -175.8 | 166.9 | 135.6 | -92.2 | -55.9 | 0 | 0 | 0 | 109.8 | ||||
| 99 | A | 38.7 | Very low | 33.1 | Very low | 88 Ų | 88 | 144.3 Ų | 144.3 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -153.6 | 171.1 | -162.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 100 | E | 39.2 | Very low | 33.1 | Very low | 193 Ų | 193 | 141.6 Ų | 141.6 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | 69.1 | 130.7 | 162.1 | -49.7 | -162.5 | 155.7 | 0 | 0 | 120.5 | ||||
| 101 | D | 32.1 | Very low | 33.5 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | -157.2 | 164.7 | 119.7 | -162.4 | 12.1 | 0 | 0 | 0 | 110.5 | |||||
| 102 | V | 35.2 | Very low | 33.5 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 76% | 0.758 | 80% | 0.8 | S | S | * | * | trans | -142.6 | 141.7 | -169.7 | 172.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 103 | S | 30.3 | Very low | 33.4 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -162.8 | 169.5 | 163.1 | 35.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 104 | V | 33.4 | Very low | 33.5 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | -151.1 | 171 | -175.3 | -104.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 105 | T | 31 | Very low | 33.5 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | cis | -103.8 | 176 | 23.3 | 46.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 106 | R | 37.9 | Very low | 33.5 | Very low | 223 Ų | 223 | 139.8 Ų | 139.8 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | cis | 72 | 113 | 34.8 | -166.9 | -157 | -162.5 | 117.3 | 4.9 | 115.6 | ||||
| 107 | D | 34.8 | Very low | 33.4 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -158.9 | 168.1 | 147 | -113.7 | -32 | 0 | 0 | 0 | 111.4 | ||||
| 108 | D | 35.3 | Very low | 33.2 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | trans | -119.2 | 144 | -168 | 178.1 | 84.6 | 0 | 0 | 0 | 113.5 | ||||
| 109 | A | 31.7 | Very low | 33 | Very low | 89 Ų | 89 | 139.2 Ų | 139.2 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -171 | 136 | 151.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 110 | T | 33.1 | Very low | 32.4 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -120.8 | 141.7 | 161.9 | -56.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 111 | P | 39.2 | Very low | 32 | Very low | 122 Ų | 122 | 134 Ų | 134 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | -131.2 | 160.1 | 146.2 | 34.3 | -21.1 | 0 | 0 | 0 | 114 | ||||
| 112 | A | 29.6 | Very low | 32.1 | Very low | 82 Ų | 82 | 133.2 Ų | 133.2 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | trans | -84.6 | 168.1 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 113 | N | 28.3 | Very low | 32.4 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | 38 | 139 | 147.2 | -59.1 | -0.7 | 0 | 0 | 0 | 119.2 | ||||
| 114 | T | 28.8 | Very low | 32.3 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | -174 | 160.7 | 76.2 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 115 | H | 30.4 | Very low | 32.1 | Very low | 171 Ų | 171 | 131.6 Ų | 131.6 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -42.6 | 149.1 | 175.9 | -61.7 | -114.2 | 0 | 0 | 0 | 118 | ||||
| 116 | T | 30.6 | Very low | 32.3 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -148.4 | 157.9 | 133.8 | -38.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 117 | E | 30.7 | Very low | 31.9 | Very low | 178 Ų | 178 | 126 Ų | 126 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -109.2 | 161.6 | -178.3 | -63.5 | 171.7 | 84.6 | 0 | 0 | 113.7 | ||||
| 118 | A | 32.3 | Very low | 31.8 | Very low | 94 Ų | 94 | 122.5 Ų | 122.5 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | 65.5 | 161.1 | 154.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 119 | D | 29.6 | Very low | 31.7 | Very low | 161 Ų | 161 | 119.7 Ų | 119.7 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | cis | -152.9 | 163.3 | 3.4 | -149.8 | -23.1 | 0 | 0 | 0 | 112.4 | ||||
| 120 | G | 27.6 | Very low | 31.7 | Very low | 65 Ų | 65 | 121.9 Ų | 121.9 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | trans | 76.4 | 100.9 | 145 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 121 | A | 29.6 | Very low | 32.1 | Very low | 106 Ų | 106 | 123 Ų | 123 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | 176.5 | 136.7 | 121.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 122 | V | 34.4 | Very low | 32.2 | Very low | 140 Ų | 140 | 122.4 Ų | 122.4 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | trans | -130.1 | 153.5 | 166.1 | -127.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 123 | P | 42 | Very low | 32.4 | Very low | 115 Ų | 115 | 125 Ų | 125 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | -152.6 | 155.8 | 72 | 38.6 | -17.9 | 0 | 0 | 0 | 118.7 | |||||
| 124 | T | 27.5 | Very low | 32.6 | Very low | 130 Ų | 130 | 122.3 Ų | 122.3 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | trans | 43.4 | 115.9 | 135.6 | -49 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 125 | A | 30.1 | Very low | 32.9 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | 170.7 | 116.8 | 110 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 126 | A | 34.7 | Very low | 32.9 | Very low | 109 Ų | 109 | 120.8 Ų | 120.8 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | trans | -172.4 | 140.2 | 146.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 127 | S | 30.3 | Very low | 33.3 | Very low | 121 Ų | 121 | 116.3 Ų | 116.3 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | -158.2 | 151.9 | 175.7 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 128 | A | 31.5 | Very low | 33.7 | Very low | 97 Ų | 97 | 116.6 Ų | 116.6 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | 65.1 | 140.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 129 | A | 33 | Very low | 34.2 | Very low | 88 Ų | 88 | 115.2 Ų | 115.2 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | cis | -152.4 | 131 | -15.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 130 | T | 32.3 | Very low | 34.6 | Very low | 135 Ų | 135 | 111.1 Ų | 111.1 | 83% | 0.828 | 75% | 0.747 | S | S | * | * | trans | -88.1 | 122.2 | 169.5 | -47 | 0 | 0 | 0 | 0 | 109.1 | P132 | T130-P132 VanDerWaalsContact O-CD 3.32Å; T130-P132 WeakPolarHBondContact O-CD 3.45Å | ||
| 131 | L | 41.9 | Very low | 35.3 | Very low | 151 Ų | 151 | 112 Ų | 112 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | -102.7 | 99.2 | 168.7 | -66.8 | -179.6 | 0 | 0 | 0 | 109.1 | V133 | L131-V133 PolarHBondContact O-N 3.16Å; L131-V133 VanDerWaalsContact O-N 3.13Å | ||
| 132 | P | 40.3 | Very low | 36 | Very low | 108 Ų | 108 | 113 Ų | 113 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | trans | -70.6 | 106.6 | 167.9 | 29.2 | -31.7 | 0 | 0 | 0 | 108.5 | T130 S134 | T130-P132 VanDerWaalsContact O-CD 3.32Å; T130-P132 WeakPolarHBondContact O-CD 3.45Å; P132-S134 PolarHBondContact O-N 3.5Å | ||
| 133 | V | 35 | Very low | 36.2 | Very low | 136 Ų | 136 | 112.9 Ų | 112.9 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | trans | -77.6 | 78.9 | 173.9 | -170.1 | 0 | 0 | 0 | 0 | 108.2 | L131 F135 | L131-V133 PolarHBondContact O-N 3.16Å; L131-V133 VanDerWaalsContact O-N 3.13Å; V133-F135 PolarHBondContact O-N 2.75Å | ||
| 134 | S | 32.7 | Very low | 36.3 | Very low | 94 Ų | 94 | 115.6 Ų | 115.6 | 66% | 0.657 | 73% | 0.734 | S | S | * | * | trans | -66.8 | 96.1 | 178.9 | 57 | 0 | 0 | 0 | 0 | 110.2 | P132 V136 | P132-S134 PolarHBondContact O-N 3.5Å; S134-V136 VanDerWaalsContact C-N 3.3Å; S134-V136 PolarHBondContact O-N 3.26Å | ||
| 135 | F | 34.8 | Very low | 37 | Very low | 158 Ų | 158 | 116.3 Ų | 116.3 | 69% | 0.693 | 73% | 0.733 | S | S | * | * | trans | -73.3 | 86.7 | 171.8 | -169.4 | -102 | 0 | 0 | 0 | 109.1 | V133 C137 | V133-F135 PolarHBondContact O-N 2.75Å; F135-C137 VanDerWaalsContact CD1-SG 3.51Å; F135-C137 VanDerWaalsContact CE1-SG 3.55Å; F135-C137 PolarHBondContact O-N 2.92Å | ||
| 136 | V | 30.7 | Very low | 37.6 | Very low | 107 Ų | 107 | 117.3 Ų | 117.3 | 65% | 0.648 | 73% | 0.734 | S | S | * | * | trans | -78.4 | 104 | 178.5 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | S134 E138 | S134-V136 VanDerWaalsContact C-N 3.3Å; S134-V136 PolarHBondContact O-N 3.26Å; V136-E138 HydrophobicContact CG1-CB 4.12Å; V136-E138 PolarHBondContact O-N 2.93Å | ||
| 137 | C | 38.3 | Very low | 38.3 | Very low | 54 Ų | 54 | 119 Ų | 119 | 37% | 0.365 | 73% | 0.728 | S | S | . | * | trans | -69.9 | 51.7 | 173.5 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | F135 A139 N236 | F135-C137 VanDerWaalsContact CD1-SG 3.51Å; F135-C137 VanDerWaalsContact CE1-SG 3.55Å; F135-C137 PolarHBondContact O-N 2.92Å; C137-A139 PolarHBondContact O-N 3.13Å; C137-N236 PolarHBondContact SG-O 3.13Å | ||
| 138 | E | 40 | Very low | 39.5 | Very low | 183 Ų | 183 | 120.5 Ų | 120.5 | 86% | 0.855 | 73% | 0.727 | S | S | * | * | trans | -77.9 | 58.2 | 174.7 | -159.2 | 174.4 | 143.9 | 0 | 0 | 111.1 | V136 | V136-E138 HydrophobicContact CG1-CB 4.12Å; V136-E138 PolarHBondContact O-N 2.93Å | ||
| 139 | A | 41 | Very low | 40.1 | Very low | 66 Ų | 66 | 121.7 Ų | 121.7 | 55% | 0.545 | 73% | 0.729 | S | S | . | * | trans | -100.3 | 84.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | C137 C141 | C137-A139 PolarHBondContact O-N 3.13Å; A139-C141 PolarHBondContact O-N 3.13Å | ||
| 140 | G | 38.3 | Very low | 40.8 | Very low | 74 Ų | 74 | 124.8 Ų | 124.8 | 76% | 0.763 | 73% | 0.733 | S | S | * | * | trans | -63.2 | 98.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | V142 | G140-V142 PolarHBondContact O-N 2.79Š| ||
| 141 | C | 43.3 | Very low | 41.4 | Very low | 85 Ų | 85 | 123.4 Ų | 123.4 | 57% | 0.574 | 73% | 0.729 | S | S | * | * | trans | -66.3 | 120.2 | 164.4 | 53.4 | 0 | 0 | 0 | 0 | 108 | A139 D143 | A139-C141 PolarHBondContact O-N 3.13Å; C141-D143 PolarHBondContact O-N 2.87Å | ||
| 142 | V | 43.3 | Very low | 41.6 | Very low | 126 Ų | 126 | 123.6 Ų | 123.6 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | trans | -75.7 | 114.1 | 163.8 | -73.2 | 0 | 0 | 0 | 0 | 107.1 | G140 E144 | G140-V142 PolarHBondContact O-N 2.79Å; V142-E144 PolarHBondContact O-N 3.45Å | ||
| 143 | D | 39.1 | Very low | 41.6 | Very low | 138 Ų | 138 | 123.6 Ų | 123.6 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | trans | -73.6 | 105.8 | 167.5 | -115.3 | -57.1 | 0 | 0 | 0 | 107 | C141 D145 | C141-D143 PolarHBondContact O-N 2.87Å; D143-D145 PolarHBondContact O-N 3.39Å | ||
| 144 | E | 44.4 | Very low | 42.1 | Very low | 172 Ų | 172 | 122.3 Ų | 122.3 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | -93.8 | 83.1 | 166.1 | -68.4 | -162.7 | 154.5 | 0 | 0 | 107.8 | V142 S146 | V142-E144 PolarHBondContact O-N 3.45Å; E144-S146 PolarHBondContact O-N 3.3Å; E144-S146 VanDerWaalsContact O-N 3.13Å | ||
| 145 | D | 41.4 | Very low | 42.4 | Very low | 144 Ų | 144 | 122.8 Ų | 122.8 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | trans | -49.6 | 116.6 | 167.2 | -77.4 | -65.9 | 0 | 0 | 0 | 109.2 | D143 | D143-D145 PolarHBondContact O-N 3.39Š| ||
| 146 | S | 42.9 | Very low | 42.7 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -130.2 | 85.6 | 173.6 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | E144 D148 | E144-S146 PolarHBondContact O-N 3.3Å; E144-S146 VanDerWaalsContact O-N 3.13Å; S146-D148 PolarHBondContact O-N 3.47Å | ||
| 147 | D | 50.5 | Low | 43 | Very low | 146 Ų | 146 | 120.6 Ų | 120.6 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | trans | -78.5 | 104.9 | 176.9 | 53.7 | -44.9 | 0 | 0 | 0 | 112.2 | ||||
| 148 | D | 53.9 | Low | 43 | Very low | 152 Ų | 152 | 123.6 Ų | 123.6 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -173.9 | 107.3 | 152.3 | -108.9 | -22.9 | 0 | 0 | 0 | 111.6 | S146 | S146-D148 PolarHBondContact O-N 3.47Š| ||
| 149 | S | 44.9 | Very low | 42.9 | Very low | 122 Ų | 122 | 120.1 Ų | 120.1 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | trans | -176.6 | 95.9 | 154.8 | -83.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 150 | D | 48.8 | Very low | 42.6 | Very low | 152 Ų | 152 | 122.2 Ų | 122.2 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -64.1 | 147.2 | 167.4 | -68 | -64.5 | 0 | 0 | 0 | 111.7 | ||||
| 151 | S | 43 | Very low | 42.5 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -149.7 | 102.3 | 168.9 | -82.1 | 0 | 0 | 0 | 0 | 112.3 | S153 | S151-S153 PolarHBondContact O-N 3.43Š| ||
| 152 | D | 46.4 | Very low | 42.3 | Very low | 155 Ų | 155 | 125.7 Ų | 125.7 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -65.6 | 83.6 | -175.7 | -74.6 | -61.2 | 0 | 0 | 0 | 113.8 | S154 | D152-S154 PolarHBondContact O-N 2.9Å; D152-S154 PolarHBondContact O-OG 3.01Å | ||
| 153 | S | 41 | Very low | 42 | Very low | 107 Ų | 107 | 125.7 Ų | 125.7 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -67.8 | 86.8 | 174.6 | -68.8 | 0 | 0 | 0 | 0 | 112.1 | S151 S155 | S151-S153 PolarHBondContact O-N 3.43Å; S153-S155 VanDerWaalsContact C-N 3.34Å; S153-S155 PolarHBondContact O-N 2.83Å | ||
| 154 | S | 44.9 | Very low | 42 | Very low | 109 Ų | 109 | 124.9 Ų | 124.9 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -75.7 | 73.4 | -176.8 | -67.1 | 0 | 0 | 0 | 0 | 113.4 | D152 S156 | D152-S154 PolarHBondContact O-N 2.9Å; D152-S154 PolarHBondContact O-OG 3.01Å; S154-S156 PolarHBondContact O-N 3.33Å | ||
| 155 | S | 40.2 | Very low | 41.6 | Very low | 104 Ų | 104 | 121.8 Ų | 121.8 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -71.8 | 100.6 | 178.5 | -65.1 | 0 | 0 | 0 | 0 | 113.3 | S153 S157 | S153-S155 VanDerWaalsContact C-N 3.34Å; S153-S155 PolarHBondContact O-N 2.83Å; S155-S157 PolarHBondContact O-N 3.42Å | ||
| 156 | S | 41 | Very low | 41.5 | Very low | 108 Ų | 108 | 120.1 Ų | 120.1 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -90.6 | 62.4 | -178.9 | 48.9 | 0 | 0 | 0 | 0 | 113.9 | S154 S158 | S154-S156 PolarHBondContact O-N 3.33Å; S156-S158 PolarHBondContact O-N 2.9Å; S156-S158 VanDerWaalsContact O-N 3.13Å; S156-S158 PolarHBondContact O-OG 2.84Å | ||
| 157 | S | 37 | Very low | 41.2 | Very low | 112 Ų | 112 | 119.5 Ų | 119.5 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -55.9 | 114.7 | 175.8 | -57.5 | 0 | 0 | 0 | 0 | 112.5 | S155 | S155-S157 PolarHBondContact O-N 3.42Š| ||
| 158 | S | 37.8 | Very low | 40.7 | Very low | 116 Ų | 116 | 117.3 Ų | 117.3 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -124.7 | 115.9 | 176.7 | -63.6 | 0 | 0 | 0 | 0 | 110.4 | S156 | S156-S158 PolarHBondContact O-N 2.9Å; S156-S158 VanDerWaalsContact O-N 3.13Å; S156-S158 PolarHBondContact O-OG 2.84Å | ||
| 159 | S | 37.7 | Very low | 39.9 | Very low | 111 Ų | 111 | 115.8 Ų | 115.8 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -128.1 | 140.9 | -175.8 | -51.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 160 | S | 35.3 | Very low | 39.6 | Very low | 109 Ų | 109 | 115.5 Ų | 115.5 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | 123.1 | 143.2 | 142.3 | -53.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 161 | S | 35.5 | Very low | 39.5 | Very low | 117 Ų | 117 | 114.2 Ų | 114.2 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 65 | 106.4 | 147.8 | 50.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 162 | S | 39.8 | Very low | 39.3 | Very low | 115 Ų | 115 | 113.1 Ų | 113.1 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -76.1 | 153.6 | 154.4 | 47.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 163 | S | 35.5 | Very low | 39 | Very low | 126 Ų | 126 | 113.4 Ų | 113.4 | 88% | 0.881 | 78% | 0.782 | S | S | * | * | trans | -162.7 | 146.2 | 165 | -81.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 164 | S | 40 | Very low | 39.2 | Very low | 121 Ų | 121 | 114.6 Ų | 114.6 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -117.8 | 143.9 | -166.8 | -44 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 165 | S | 35.8 | Very low | 39 | Very low | 108 Ų | 108 | 118.5 Ų | 118.5 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | 163.1 | 130.4 | 128.6 | 59.4 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 166 | S | 38.8 | Very low | 39 | Very low | 108 Ų | 108 | 122.9 Ų | 122.9 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | 32.8 | 134.2 | 142.1 | 64.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 167 | S | 38.5 | Very low | 39.3 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | cis | -175.7 | 150.6 | 46.3 | 49.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 168 | S | 38.7 | Very low | 39.7 | Very low | 101 Ų | 101 | 125.4 Ų | 125.4 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | 49.7 | 111.1 | 146.7 | 62.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 169 | S | 37.4 | Very low | 40.3 | Very low | 119 Ų | 119 | 127 Ų | 127 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | 174.2 | 133.3 | 101.8 | -72.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 170 | S | 38.8 | Very low | 40.9 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -91.9 | 165.8 | 176.5 | -38.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 171 | P | 45.7 | Very low | 41.5 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | -141 | 144.9 | 76.3 | 37 | -20.8 | 0 | 0 | 0 | 116.8 | |||||
| 172 | A | 40.1 | Very low | 42 | Very low | 85 Ų | 85 | 133 Ų | 133 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | trans | 18.1 | 114.2 | 153 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 173 | L | 39.1 | Very low | 42.6 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -121.8 | 145 | 132.7 | -70.6 | 177.5 | 0 | 0 | 0 | 108 | ||||
| 174 | V | 45.2 | Very low | 43.6 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -105.7 | 117.5 | -177.6 | -80.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 175 | F | 41 | Very low | 44.2 | Very low | 192 Ų | 192 | 134.9 Ų | 134.9 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | trans | -141 | 156.4 | 164.9 | -71 | -72.2 | 0 | 0 | 0 | 108.8 | ||||
| 176 | E | 40.7 | Very low | 45.5 | Very low | 195 Ų | 195 | 133.6 Ų | 133.6 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | trans | -83.3 | 169.9 | -159.4 | -67.3 | -177.6 | 115.9 | 0 | 0 | 114.9 | ||||
| 177 | D | 47.9 | Very low | 46.7 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -70.6 | 123.3 | -177.2 | -162.4 | 150.6 | 0 | 0 | 0 | 111.8 | ||||
| 178 | V | 43.8 | Very low | 47.8 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 76% | 0.758 | 78% | 0.784 | S | S | * | * | trans | -145 | 86.8 | 164.4 | -174.8 | 0 | 0 | 0 | 0 | 108.2 | E180 | V178-E180 HydrophobicContact CG1-CB 4.28Å; V178-E180 PolarHBondContact O-N 3.22Å | ||
| 179 | D | 50.7 | Low | 48.6 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -76.9 | 105.4 | 160.9 | -173.6 | -115 | 0 | 0 | 0 | 109.1 | ||||
| 180 | E | 51.9 | Low | 49.9 | Very low | 163 Ų | 163 | 133.3 Ų | 133.3 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | -150.2 | 111.7 | 170.6 | -158.1 | 83 | -117 | 0 | 0 | 111.3 | V178 | V178-E180 HydrophobicContact CG1-CB 4.28Å; V178-E180 PolarHBondContact O-N 3.22Å | ||
| 181 | S | 46.7 | Very low | 51.3 | Low | 82 Ų | 82 | 139.3 Ų | 139.3 | 57% | 0.573 | 76% | 0.757 | S | S | * | * | trans | 18.6 | 127.8 | 157.6 | -167.7 | 0 | 0 | 0 | 0 | 120.7 | S183 | S181-S183 PolarHBondContact O-N 3.46Å; S181-S183 PolarHBondContact OG-N 2.89Å | ||
| 182 | F | 45.6 | Very low | 52.2 | Low | 217 Ų | 217 | 140.6 Ų | 140.6 | 95% | 0.952 | 76% | 0.757 | S | S | * | * | trans | -68 | 72.5 | 154 | -91.5 | -95.4 | 0 | 0 | 0 | 110.9 | Q184 | F182-Q184 PolarHBondContact O-N 3.49Š| ||
| 183 | S | 52.1 | Low | 53.7 | Low | 99 Ų | 99 | 140.8 Ų | 140.8 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | trans | -60.4 | 117.4 | 168.1 | -64 | 0 | 0 | 0 | 0 | 109.1 | S181 | S181-S183 PolarHBondContact O-N 3.46Å; S181-S183 PolarHBondContact OG-N 2.89Å | ||
| 184 | Q | 57.1 | Low | 55.3 | Low | 178 Ų | 178 | 137.4 Ų | 137.4 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | trans | -59.3 | 148.3 | 171.2 | -66.8 | -153.3 | -8.6 | 0 | 0 | 109.5 | F182 A186 | F182-Q184 PolarHBondContact O-N 3.49Å; Q184-A186 PolarHBondContact O-N 2.85Å | ||
| 185 | P | 52.6 | Low | 56.8 | Low | 125 Ų | 125 | 134.3 Ų | 134.3 | 81% | 0.812 | 71% | 0.708 | S | S | * | * | trans | -58 | 115.4 | 173.8 | 25.4 | -33.5 | 0 | 0 | 0 | 108.2 | ||||
| 186 | A | 63.1 | Low | 58.5 | Low | 80 Ų | 80 | 127.1 Ų | 127.1 | 66% | 0.661 | 68% | 0.678 | S | S | * | * | trans | -55.4 | 144.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q184 I188 | Q184-A186 PolarHBondContact O-N 2.85Å; A186-I188 PolarHBondContact O-N 2.67Å | ||
| 187 | P | 64 | Low | 60 | Low | 108 Ų | 108 | 124.2 Ų | 124.2 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | trans | -47.9 | 140 | 173.2 | -28.1 | 35.5 | 0 | 0 | 0 | 110.8 | K189 | P187-K189 VanDerWaalsContact C-N 3.26Å; P187-K189 PolarHBondContact O-N 2.87Å | ||
| 188 | I | 61 | Low | 61.4 | Low | 171 Ų | 171 | 123.1 Ų | 123.1 | 88% | 0.877 | 65% | 0.654 | S | S | * | * | trans | -71.4 | 88.9 | 178.7 | -57.3 | 174.8 | 0 | 0 | 0 | 107.4 | A186 | A186-I188 PolarHBondContact O-N 2.67Š| ||
| 189 | K | 56.5 | Low | 63.3 | Low | 92 Ų | 92 | 119.9 Ų | 119.9 | 40% | 0.4 | 63% | 0.632 | S | S | . | * | trans | -79 | 129.1 | 174.9 | -61.9 | -165.8 | 71.1 | -175 | 0 | 110.6 | P187 E193 L195 | P187-K189 VanDerWaalsContact C-N 3.26Å; P187-K189 PolarHBondContact O-N 2.87Å; K189-E193 VanDerWaalsContact CA-OE2 3.3Å; K189-E193 WeakPolarHBondContact CA-OE2 3.45Å; K189-E193 WeakPolarHBondContact CE-O 3.32Å; K189-E193 PolarHBondContact NZ-O 2.93Å; K189-L195 HydrophobicContact CD-CD1 4.11Å; K189-L195 HydrophobicContact CD-CD2 4.32Å; K189-L195 HydrophobicContact CD-CG 4.32Å | ||
| 190 | A | 65.3 | Low | 65 | Low | 55 Ų | 55 | 117.8 Ų | 117.8 | 46% | 0.455 | 63% | 0.627 | S | S | . | * | trans | -63.3 | 164.1 | 153.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | D192 E193 | A190-D192 PolarHBondContact O-N 2.95Å; A190-E193 HydrophobicContact CB-CG 4Å; A190-E193 WeakPolarHBondContact CB-OE1 3.34Å; A190-E193 PolarHBondContact N-OE1 2.99Å; A190-E193 PolarHBondContact N-OE2 3.09Å | ||
| 191 | R | 67.3 | Low | 66.6 | Low | 243 Ų | 243 | 114 Ų | 114 | 92% | 0.917 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -22.9 | -167.6 | -71.6 | -176.2 | 177.1 | 133.8 | 3.6 | 114.2 | ||
| 192 | D | 64.1 | Low | 68.5 | Low | 152 Ų | 152 | 112 Ų | 112 | 81% | 0.813 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | 15 | -169 | -49.1 | -79.5 | 0 | 0 | 0 | 111.6 | A190 V194 | A190-D192 PolarHBondContact O-N 2.95Å; D192-V194 PolarHBondContact O-N 3.15Å |
| 193 | E | 72.4 | Confident | 70.4 | Confident | 89 Ų | 89 | 109.8 Ų | 109.8 | 42% | 0.416 | 60% | 0.601 | S | S | . | * | trans | -75.5 | 108.7 | 174.7 | -84.1 | 168.6 | -145.7 | 0 | 0 | 112.2 | K189 A190 | K189-E193 VanDerWaalsContact CA-OE2 3.3Å; K189-E193 WeakPolarHBondContact CA-OE2 3.45Å; K189-E193 WeakPolarHBondContact CE-O 3.32Å; K189-E193 PolarHBondContact NZ-O 2.93Å; A190-E193 HydrophobicContact CB-CG 4Å; A190-E193 WeakPolarHBondContact CB-OE1 3.34Å; A190-E193 PolarHBondContact N-OE1 2.99Å; A190-E193 PolarHBondContact N-OE2 3.09Å | ||
| 194 | V | 72.8 | Confident | 71.9 | Confident | 90 Ų | 90 | 109.6 Ų | 109.6 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | trans | -72.8 | 127.9 | 168.8 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | D192 E198 L199 | D192-V194 PolarHBondContact O-N 3.15Å; V194-E198 HydrophobicContact CG1-CB 4.05Å; V194-E198 HydrophobicContact CG1-CG 4.08Å; V194-L199 HydrophobicContact CG1-CD2 3.82Å; V194-L199 HydrophobicContact CG1-CG 4Å | ||
| 195 | L | 76.4 | Confident | 73.2 | Confident | 66 Ų | 66 | 102.2 Ų | 102.2 | 35% | 0.346 | 56% | 0.556 | S | S | . | * | trans | -86.8 | 161.5 | 178.6 | -67 | 179.3 | 0 | 0 | 0 | 113.4 | K189 E197 E198 L199 | K189-L195 HydrophobicContact CD-CD1 4.11Å; K189-L195 HydrophobicContact CD-CD2 4.32Å; K189-L195 HydrophobicContact CD-CG 4.32Å; L195-E197 WeakPolarHBondContact CB-OE2 3.43Å; L195-E197 PolarHBondContact O-N 3.36Å; L195-E198 HydrophobicContact CB-CB 4.33Å; L195-E198 PolarHBondContact N-OE2 3.05Å; L195-E198 WeakPolarHBondContact O-CB 3.38Å; L195-E198 PolarHBondContact O-N 3.26Å; L195-L199 PolarHBondContact O-N 3.39Å | ||
| 196 | L | 75.7 | Confident | 74.7 | Confident | 40 Ų | 40 | 101.1 Ų | 101.1 | 21% | 0.209 | 55% | 0.551 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -62 | -22.6 | 175 | -65 | 177 | 0 | 0 | 0 | 113.1 | L199 Q227 L228 R272 | L196-L199 HydrophobicContact CD2-CD1 4.31Å; L196-Q227 PolarHBondContact O-NE2 3.35Å; L196-Q227 VanDerWaalsContact O-NE2 3.14Å; L196-L228 HydrophobicContact CD1-CD1 3.82Å; L196-L228 HydrophobicContact CD1-CD2 4.45Å; L196-L228 HydrophobicContact CD1-CG 4.05Å; L196-L228 HydrophobicContact CD2-CD1 4.35Å; L196-L228 HydrophobicContact CD2-CD2 4.39Å; L196-R272 PolarHBondContact O-NH2 3.5Å |
| 197 | E | 73.3 | Confident | 75.9 | Confident | 134 Ų | 134 | 99.4 Ų | 99.4 | 63% | 0.626 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -15.7 | 173.5 | -60.1 | 73.3 | -160 | 0 | 0 | 113.4 | L195 | L195-E197 WeakPolarHBondContact CB-OE2 3.43Å; L195-E197 PolarHBondContact O-N 3.36Å |
| 198 | E | 77.4 | Confident | 77.2 | Confident | 126 Ų | 126 | 98.5 Ų | 98.5 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -28.9 | -179.1 | -172.7 | 169.4 | -165.8 | 0 | 0 | 111.7 | V194 L195 | V194-E198 HydrophobicContact CG1-CB 4.05Å; V194-E198 HydrophobicContact CG1-CG 4.08Å; L195-E198 HydrophobicContact CB-CB 4.33Å; L195-E198 PolarHBondContact N-OE2 3.05Å; L195-E198 WeakPolarHBondContact O-CB 3.38Å; L195-E198 PolarHBondContact O-N 3.26Å |
| 199 | L | 84 | Confident | 78.6 | Confident | 57 Ų | 57 | 90.9 Ų | 90.9 | 30% | 0.298 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -60.6 | 139.8 | 167.8 | -70 | 176.3 | 0 | 0 | 0 | 111.5 | V194 L195 L196 F258 R272 | V194-L199 HydrophobicContact CG1-CD2 3.82Å; V194-L199 HydrophobicContact CG1-CG 4Å; L195-L199 PolarHBondContact O-N 3.39Å; L196-L199 HydrophobicContact CD2-CD1 4.31Å; L199-F258 HydrophobicContact CD1-CE2 4.36Å; L199-F258 HydrophobicContact CD1-CZ 3.85Å; L199-R272 PolarHBondContact O-NH2 2.93Å |
| 200 | P | 85.5 | Confident | 80.2 | Confident | 106 Ų | 106 | 90 Ų | 90 | 69% | 0.688 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 153.1 | -177.9 | 25.3 | -35.4 | 0 | 0 | 0 | 112.8 | R272 | P200-R272 PolarHBondContact O-NH1 2.87Å; P200-R272 PolarHBondContact O-NH2 2.91Å |
| 201 | A | 86.2 | Confident | 81.3 | Confident | 83 Ų | 83 | 95.2 Ų | 95.2 | 69% | 0.686 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 139.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N274 | A201-N274 WeakPolarHBondContact CA-OD1 3.19Š|
| 202 | V | 86.6 | Confident | 82.2 | Confident | 41 Ų | 41 | 91.9 Ų | 91.9 | 25% | 0.248 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 138.5 | 179.6 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | R272 N274 | V202-R272 HydrophobicContact CG2-CB 4.12Å; V202-R272 HydrophobicContact CG2-CG 3.79Å; V202-N274 PolarHBondContact N-OD1 3.13Å; V202-N274 PolarHBondContact O-ND2 3.22Å |
| 203 | E | 84.9 | Confident | 83.4 | Confident | 171 Ų | 171 | 85.2 Ų | 85.2 | 80% | 0.799 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 131 | 174.3 | -172.8 | 179.8 | 169.6 | 0 | 0 | 111.3 | V205 | E203-V205 PolarHBondContact O-N 3.08Š|
| 204 | E | 84.1 | Confident | 84.4 | Confident | 95 Ų | 95 | 85.8 Ų | 85.8 | 44% | 0.444 | 47% | 0.472 | S | S | . | . | trans | -79.2 | 88.1 | 180 | -175.2 | 158.7 | -172.6 | 0 | 0 | 112 | S206 Q278 K282 | E204-S206 PolarHBondContact O-N 2.93Å; E204-S206 VanDerWaalsContact O-N 3.14Å; E204-S206 PolarHBondContact O-OG 2.91Å; E204-S206 VanDerWaalsContact O-OG 3.11Å; E204-Q278 PolarHBondContact OE2-NE2 3.31Å; E204-K282 WeakPolarHBondContact OE1-CE 3.44Å; E204-K282 IonicContact OE1-NZ 3.15Å | ||
| 205 | V | 84.3 | Confident | 85.4 | Confident | 23 Ų | 23 | 83.4 Ų | 83.4 | 14% | 0.139 | 46% | 0.456 | C | S | . | . | trans | -55.3 | 119.2 | 171.5 | -169.9 | 0 | 0 | 0 | 0 | 109.7 | E203 V207 I245 A253 K256 K282 | E203-V205 PolarHBondContact O-N 3.08Å; V205-V207 HydrophobicContact CG1-CG2 4.21Å; V205-I245 HydrophobicContact CG1-CD1 4Å; V205-I245 HydrophobicContact CG1-CG2 3.97Å; V205-A253 HydrophobicContact CG1-CB 3.72Å; V205-K256 HydrophobicContact CG2-CB 4.4Å; V205-K282 PolarHBondContact O-NZ 3.25Å | ||
| 206 | S | 83.6 | Confident | 86.3 | Confident | 102 Ų | 102 | 83.8 Ų | 83.8 | 71% | 0.713 | 46% | 0.455 | S | S | * | . | trans | -134.2 | 27.3 | -172.2 | 41 | 0 | 0 | 0 | 0 | 112.3 | E204 | E204-S206 PolarHBondContact O-N 2.93Å; E204-S206 VanDerWaalsContact O-N 3.14Å; E204-S206 PolarHBondContact O-OG 2.91Å; E204-S206 VanDerWaalsContact O-OG 3.11Å | ||
| 207 | V | 87.8 | Confident | 87.3 | Confident | 44 Ų | 44 | 84.4 Ų | 84.4 | 27% | 0.267 | 46% | 0.462 | S | S | . | . | trans | -71.3 | 142.9 | 176.1 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | V205 A253 Y299 | V205-V207 HydrophobicContact CG1-CG2 4.21Å; V207-A253 HydrophobicContact CB-CB 4.04Å; V207-A253 WeakPolarHBondContact O-CB 3.5Å; V207-A253 PolarHBondContact O-N 3.04Å; V207-Y299 HydrophobicContact CG1-CE2 4.17Å | ||
| 208 | S | 91.3 | Very high | 88.4 | Confident | 89 Ų | 89 | 78 Ų | 78 | 62% | 0.622 | 43% | 0.432 | S | S | * | . | B | Isolated β-bridge | trans | -118.6 | 134.8 | 164.6 | 56.1 | 0 | 0 | 0 | 0 | 110.2 | R251 | S208-R251 WeakPolarHBondContact CA-O 3.49Å |
| 209 | L | 91.4 | Very high | 89.3 | Confident | 11 Ų | 11 | 72 Ų | 72 | 6% | 0.058 | 40% | 0.404 | C | S | . | . | trans | -79.5 | 146.1 | 178.9 | -57.8 | -177.4 | 0 | 0 | 0 | 111.4 | A213 L215 F247 R251 A293 L296 Y299 | L209-A213 HydrophobicContact CB-CB 4.06Å; L209-A213 HydrophobicContact CD1-CB 4.47Å; L209-L215 HydrophobicContact CD1-CD1 4.17Å; L209-L215 HydrophobicContact CD1-CD2 3.77Å; L209-L215 HydrophobicContact CD1-CG 3.94Å; L209-F247 HydrophobicContact CD1-CD1 3.76Å; L209-F247 HydrophobicContact CD1-CD2 4.11Å; L209-F247 HydrophobicContact CD1-CE1 3.79Å; L209-F247 HydrophobicContact CD1-CE2 4.13Å; L209-F247 HydrophobicContact CD1-CG 3.95Å; L209-F247 HydrophobicContact CD1-CZ 3.98Å; L209-F247 HydrophobicContact CD2-CD1 4.27Å; L209-F247 HydrophobicContact CD2-CE1 3.5Å; L209-F247 HydrophobicContact CD2-CZ 3.65Å; L209-F247 HydrophobicContact CG-CD1 3.69Å; L209-F247 HydrophobicContact CG-CE1 3.45Å; L209-F247 VanDerWaalsContact CG-CE1 3.45Å; L209-F247 HydrophobicContact CG-CG 4.39Å; L209-F247 HydrophobicContact CG-CZ 3.96Å; L209-R251 HydrophobicContact CB-CB 4.26Å; L209-R251 PolarHBondContact N-O 3.34Å; L209-A293 HydrophobicContact CD1-CB 3.72Å; L209-L296 HydrophobicContact CD2-CD1 3.7Å; L209-Y299 HydrophobicContact CD2-CD2 3.65Å; L209-Y299 HydrophobicContact CD2-CE2 3.55Å | ||
| 210 | P | 89.9 | Confident | 89.9 | Confident | 74 Ų | 74 | 71.3 Ų | 71.3 | 48% | 0.481 | 40% | 0.402 | S | S | . | . | trans | -65.4 | 165.2 | 172.5 | 30.2 | -35.4 | 0 | 0 | 0 | 111.4 | E212 A213 R251 | P210-E212 VanDerWaalsContact C-N 3.32Å; P210-E212 PolarHBondContact O-N 2.78Å; P210-A213 HydrophobicContact CG-CB 4.06Å; P210-A213 WeakPolarHBondContact O-CB 3.14Å; P210-A213 PolarHBondContact O-N 2.92Å; P210-R251 PolarHBondContact O-NH1 3.17Å | ||
| 211 | E | 88.1 | Confident | 90.5 | Very high | 163 Ų | 163 | 66.4 Ų | 66.4 | 76% | 0.762 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -30.1 | -176.1 | -167.1 | 170.4 | -179.7 | 0 | 0 | 112.2 | A213 R251 | E211-A213 VanDerWaalsContact C-N 3.26Å; E211-A213 PolarHBondContact O-N 3.12Å; E211-R251 PolarHBondContact O-NH1 3.33Å; E211-R251 VanDerWaalsContact O-NH1 3.13Å; E211-R251 PolarHBondContact O-NH2 3.49Å |
| 212 | E | 86.3 | Confident | 91 | Very high | 173 Ų | 173 | 65.3 Ų | 65.3 | 81% | 0.808 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -12.1 | 176 | -50.4 | 93.6 | 151.4 | 0 | 0 | 113.8 | P210 | P210-E212 VanDerWaalsContact C-N 3.32Å; P210-E212 PolarHBondContact O-N 2.78Å |
| 213 | A | 90.1 | Very high | 91.5 | Very high | 12 Ų | 12 | 65.2 Ų | 65.2 | 10% | 0.099 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -68.5 | 134.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L209 P210 E211 R251 L296 | L209-A213 HydrophobicContact CB-CB 4.06Å; L209-A213 HydrophobicContact CD1-CB 4.47Å; P210-A213 HydrophobicContact CG-CB 4.06Å; P210-A213 WeakPolarHBondContact O-CB 3.14Å; P210-A213 PolarHBondContact O-N 2.92Å; E211-A213 VanDerWaalsContact C-N 3.26Å; E211-A213 PolarHBondContact O-N 3.12Å; A213-R251 PolarHBondContact O-NH1 3.2Å; A213-L296 HydrophobicContact CB-CD1 4.19Å |
| 214 | E | 92.6 | Very high | 92 | Very high | 102 Ų | 102 | 59.7 Ų | 59.7 | 48% | 0.477 | 33% | 0.334 | S | S | . | . | trans | -72.9 | 134.2 | 169.9 | -171.2 | 177.5 | 173.4 | 0 | 0 | 110.4 | Q216 P294 | E214-Q216 HydrophobicContact CG-CG 4.44Å; E214-Q216 PolarHBondContact OE1-NE2 3.47Å; E214-P294 HydrophobicContact CB-CG 4.43Å; E214-P294 HydrophobicContact CG-CG 4.13Å | ||
| 215 | L | 94.4 | Very high | 92.4 | Very high | 40 Ų | 40 | 58.4 Ų | 58.4 | 21% | 0.209 | 33% | 0.333 | C | S | . | . | trans | -124.1 | 124 | 173.1 | -87.3 | 157.4 | 0 | 0 | 0 | 108.8 | L209 F247 R251 F292 | L209-L215 HydrophobicContact CD1-CD1 4.17Å; L209-L215 HydrophobicContact CD1-CD2 3.77Å; L209-L215 HydrophobicContact CD1-CG 3.94Å; L215-F247 HydrophobicContact CD2-CB 3.81Å; L215-F247 HydrophobicContact CD2-CD2 4.35Å; L215-F247 HydrophobicContact CD2-CG 4.18Å; L215-R251 HydrophobicContact CD1-CB 4.16Å; L215-R251 HydrophobicContact CD1-CG 3.67Å; L215-F292 WeakPolarHBondContact CA-O 3.15Å | ||
| 216 | Q | 95.4 | Very high | 92.7 | Very high | 73 Ų | 73 | 63.6 Ų | 63.6 | 34% | 0.341 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 144.8 | 174.2 | -71.8 | -176.7 | 9.1 | 0 | 0 | 109.6 | E214 V218 Y291 F292 P294 | E214-Q216 HydrophobicContact CG-CG 4.44Å; E214-Q216 PolarHBondContact OE1-NE2 3.47Å; Q216-V218 PolarHBondContact O-N 3.18Å; Q216-Y291 CarbonylContact O-C 3.49Å; Q216-Y291 WeakPolarHBondContact O-CA 3.41Å; Q216-Y291 WeakPolarHBondContact O-CB 3.17Å; Q216-F292 HydrophobicContact CB-CD1 4.02Å; Q216-F292 HydrophobicContact CB-CE1 3.44Å; Q216-F292 VanDerWaalsContact CB-CE1 3.44Å; Q216-F292 HydrophobicContact CB-CZ 3.81Å; Q216-F292 PolarHBondContact N-O 3.29Å; Q216-F292 WeakPolarHBondContact O-CD1 3.39Å; Q216-F292 PolarHBondContact O-N 2.83Å; Q216-P294 HydrophobicContact CB-CG 4.37Å; Q216-P294 HydrophobicContact CG-CG 3.9Å |
| 217 | P | 96.1 | Very high | 93.1 | Very high | 54 Ų | 54 | 60 Ų | 60 | 35% | 0.351 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 127.3 | 177.1 | 30.3 | -33.7 | 0 | 0 | 0 | 109.8 | L234 T237 T289 Y291 | P217-L234 HydrophobicContact CB-CD1 3.83Å; P217-L234 HydrophobicContact CG-CD1 4.06Å; P217-T237 WeakPolarHBondContact O-CG2 3.3Å; P217-T289 HydrophobicContact CB-CG2 3.96Å; P217-Y291 HydrophobicContact CB-CD1 4Å; P217-Y291 HydrophobicContact CB-CE1 3.89Å |
| 218 | V | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -34.4 | 176.3 | 73.1 | 0 | 0 | 0 | 0 | 111.8 | Q216 S233 L234 L240 L246 Y269 V290 F292 | Q216-V218 PolarHBondContact O-N 3.18Å; V218-S233 CarbonylContact O-C 3.55Å; V218-S233 VanDerWaalsContact O-CA 3.3Å; V218-S233 WeakPolarHBondContact O-CA 3.16Å; V218-L234 PolarHBondContact O-N 2.92Å; V218-L240 HydrophobicContact CG2-CD1 3.78Å; V218-L240 HydrophobicContact CG2-CG 4.07Å; V218-L246 HydrophobicContact CG1-CD1 4.29Å; V218-L246 HydrophobicContact CG1-CD2 3.94Å; V218-Y269 HydrophobicContact CG2-CD2 4.46Å; V218-Y269 HydrophobicContact CG2-CE2 3.65Å; V218-V290 HydrophobicContact CG1-CB 4.38Å; V218-V290 HydrophobicContact CG1-CG2 3.7Å; V218-V290 PolarHBondContact N-O 2.92Å; V218-F292 HydrophobicContact CB-CB 4.4Å; V218-F292 HydrophobicContact CB-CD1 3.66Å; V218-F292 HydrophobicContact CB-CE1 4.35Å; V218-F292 HydrophobicContact CB-CG 4.35Å; V218-F292 HydrophobicContact CG2-CD1 4.17Å |
| 219 | G | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.5 | -178.1 | -162.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q232 T289 V290 | G219-Q232 CarbonylContact C-O 3.47Å; G219-Q232 WeakPolarHBondContact CA-O 3.43Å; G219-T289 WeakPolarHBondContact O-CA 3.41Å; G219-V290 PolarHBondContact N-O 2.88Å; G219-V290 WeakPolarHBondContact O-CG2 3.15Å; G219-V290 PolarHBondContact O-N 3.14Å |
| 220 | T | 97.3 | Very high | 94 | Very high | 42 Ų | 42 | 56.5 Ų | 56.5 | 26% | 0.258 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 142.7 | 172.8 | 47.5 | 0 | 0 | 0 | 0 | 110.2 | S222 I231 Q232 S288 | T220-S222 PolarHBondContact O-N 3.04Å; T220-S222 VanDerWaalsContact O-N 3.12Å; T220-I231 WeakPolarHBondContact O-CA 3.42Å; T220-Q232 PolarHBondContact N-O 3.02Å; T220-Q232 PolarHBondContact O-N 2.94Å; T220-S288 WeakPolarHBondContact CA-O 3.45Å |
| 221 | V | 97.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 115.8 | 171.5 | 178.7 | 0 | 0 | 0 | 0 | 109 | I224 V229 I231 L284 T285 E286 G287 S288 | V221-I224 HydrophobicContact CG1-CD1 4.37Å; V221-I224 HydrophobicContact CG1-CG1 3.94Å; V221-V229 HydrophobicContact CB-CG1 4.36Å; V221-V229 HydrophobicContact CG1-CG1 3.59Å; V221-V229 HydrophobicContact CG2-CG1 3.91Å; V221-I231 HydrophobicContact CG2-CG1 4.1Å; V221-L284 HydrophobicContact CG2-CD2 4.37Å; V221-T285 WeakPolarHBondContact CB-O 3.46Å; V221-E286 HydrophobicContact CG1-CG 4.48Å; V221-G287 PolarHBondContact O-N 2.77Å; V221-S288 PolarHBondContact N-O 3.45Å |
| 222 | S | 96.8 | Very high | 94.8 | Very high | 59 Ų | 59 | 49.1 Ų | 49.1 | 41% | 0.413 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -38.5 | -178.4 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | T220 I230 | T220-S222 PolarHBondContact O-N 3.04Å; T220-S222 VanDerWaalsContact O-N 3.12Å; S222-I230 PolarHBondContact N-O 3.4Å |
| 223 | S | 96.7 | Very high | 95.3 | Very high | 40 Ų | 40 | 41.3 Ų | 41.3 | 28% | 0.28 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 156.6 | 175.4 | -169.2 | 0 | 0 | 0 | 0 | 112 | I230 E286 | S223-I230 PolarHBondContact N-O 3.41Å; S223-I230 PolarHBondContact O-N 2.76Å; S223-E286 WeakPolarHBondContact CA-OE1 3.44Å; S223-E286 PolarHBondContact OG-OE1 2.79Å |
| 224 | I | 95.8 | Very high | 95.6 | Very high | 55 Ų | 55 | 43.9 Ų | 43.9 | 28% | 0.282 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 119.7 | 172.9 | -59 | 171.4 | 0 | 0 | 0 | 108.8 | V221 V229 I279 E286 | V221-I224 HydrophobicContact CG1-CD1 4.37Å; V221-I224 HydrophobicContact CG1-CG1 3.94Å; I224-V229 HydrophobicContact CG1-CG1 4.28Å; I224-V229 HydrophobicContact CG1-CG2 4.32Å; I224-V229 HydrophobicContact CG2-CG2 4.43Å; I224-I279 HydrophobicContact CD1-CG2 3.99Å; I224-I279 HydrophobicContact CG2-CD1 3.83Å; I224-I279 HydrophobicContact CG2-CG2 4.16Å; I224-E286 HydrophobicContact CD1-CG 4.27Å; I224-E286 HydrophobicContact CG1-CG 4.18Å; I224-E286 PolarHBondContact N-OE1 2.79Å |
| 225 | V | 93.1 | Very high | 95.4 | Very high | 67 Ų | 67 | 47.6 Ų | 47.6 | 41% | 0.406 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 111.1 | -174 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | Q227 L228 I230 | V225-Q227 PolarHBondContact O-N 3.02Å; V225-L228 PolarHBondContact N-O 3.25Å; V225-L228 WeakPolarHBondContact O-CA 3Å; V225-L228 WeakPolarHBondContact O-CB 3.45Å; V225-L228 PolarHBondContact O-N 2.83Å; V225-I230 HydrophobicContact CG2-CD1 4.32Å |
| 226 | Q | 90.6 | Very high | 94.8 | Very high | 133 Ų | 133 | 51.9 Ų | 51.9 | 62% | 0.621 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | -106.8 | -176.1 | -57 | 172 | -6.1 | 0 | 0 | 112 | ||
| 227 | Q | 92.3 | Very high | 94.5 | Very high | 27 Ų | 27 | 49.9 Ų | 49.9 | 13% | 0.126 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 12.2 | 176 | 67.3 | -175.6 | -1.8 | 0 | 0 | 113.1 | L196 V225 F273 N274 | L196-Q227 PolarHBondContact O-NE2 3.35Å; L196-Q227 VanDerWaalsContact O-NE2 3.14Å; V225-Q227 PolarHBondContact O-N 3.02Å; Q227-F273 VanDerWaalsContact CD-O 3.27Å; Q227-F273 WeakPolarHBondContact CG-O 3.14Å; Q227-F273 PolarHBondContact O-N 2.87Å; Q227-F273 PolarHBondContact OE1-O 3.17Å; Q227-N274 PolarHBondContact OE1-O 2.82Å |
| 228 | L | 95 | Very high | 94.3 | Very high | 30 Ų | 30 | 48.8 Ų | 48.8 | 16% | 0.157 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 143 | 175.9 | -55.9 | -175.3 | 0 | 0 | 0 | 110.9 | L196 V225 V270 L271 R272 | L196-L228 HydrophobicContact CD1-CD1 3.82Å; L196-L228 HydrophobicContact CD1-CD2 4.45Å; L196-L228 HydrophobicContact CD1-CG 4.05Å; L196-L228 HydrophobicContact CD2-CD1 4.35Å; L196-L228 HydrophobicContact CD2-CD2 4.39Å; V225-L228 PolarHBondContact N-O 3.25Å; V225-L228 WeakPolarHBondContact O-CA 3Å; V225-L228 WeakPolarHBondContact O-CB 3.45Å; V225-L228 PolarHBondContact O-N 2.83Å; L228-V270 HydrophobicContact CB-CG1 4.17Å; L228-V270 HydrophobicContact CD1-CG1 4.22Å; L228-V270 HydrophobicContact CD2-CG1 3.98Å; L228-V270 HydrophobicContact CG-CG1 4.35Å; L228-L271 CarbonylContact C-O 3.56Å; L228-L271 WeakPolarHBondContact CA-O 3.29Å; L228-R272 HydrophobicContact CD2-CB 3.65Å; L228-R272 HydrophobicContact CD2-CG 3.7Å |
| 229 | V | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 123.3 | 170.5 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | V221 I224 I231 V270 L271 F273 I279 L284 | V221-V229 HydrophobicContact CB-CG1 4.36Å; V221-V229 HydrophobicContact CG1-CG1 3.59Å; V221-V229 HydrophobicContact CG2-CG1 3.91Å; I224-V229 HydrophobicContact CG1-CG1 4.28Å; I224-V229 HydrophobicContact CG1-CG2 4.32Å; I224-V229 HydrophobicContact CG2-CG2 4.43Å; V229-I231 HydrophobicContact CG1-CG1 4.32Å; V229-V270 WeakPolarHBondContact O-CA 3.46Å; V229-L271 HydrophobicContact CB-CB 4.36Å; V229-L271 PolarHBondContact N-O 3.14Å; V229-L271 PolarHBondContact O-N 3.11Å; V229-F273 HydrophobicContact CB-CE2 4.26Å; V229-F273 HydrophobicContact CG2-CD2 4.07Å; V229-F273 HydrophobicContact CG2-CE2 3.63Å; V229-I279 HydrophobicContact CG2-CB 4.44Å; V229-I279 HydrophobicContact CG2-CD1 3.7Å; V229-I279 HydrophobicContact CG2-CG1 3.92Å; V229-I279 HydrophobicContact CG2-CG2 3.67Å; V229-L284 HydrophobicContact CB-CD1 4.4Å; V229-L284 HydrophobicContact CG1-CD1 4.21Å; V229-L284 HydrophobicContact CG2-CD1 3.89Å |
| 230 | I | 97.6 | Very high | 94.1 | Very high | 40 Ų | 40 | 49.5 Ų | 49.5 | 21% | 0.205 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 122.4 | 179.3 | -57.4 | 174.2 | 0 | 0 | 0 | 108.4 | S222 S223 V225 F261 F268 | S222-I230 PolarHBondContact N-O 3.4Å; S223-I230 PolarHBondContact N-O 3.41Å; S223-I230 PolarHBondContact O-N 2.76Å; V225-I230 HydrophobicContact CG2-CD1 4.32Å; I230-F261 HydrophobicContact CG2-CE1 4.27Å; I230-F261 HydrophobicContact CG2-CZ 3.95Å; I230-F268 HydrophobicContact CG2-CB 4.39Å; I230-F268 HydrophobicContact CG2-CD1 4.08Å |
| 231 | I | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.4 | -179.7 | -69.7 | 154.2 | 0 | 0 | 0 | 108.6 | T220 V221 V229 L246 F268 Y269 L271 V290 | T220-I231 WeakPolarHBondContact O-CA 3.42Å; V221-I231 HydrophobicContact CG2-CG1 4.1Å; V229-I231 HydrophobicContact CG1-CG1 4.32Å; I231-L246 HydrophobicContact CD1-CD1 3.62Å; I231-F268 CarbonylContact O-C 3.55Å; I231-F268 VanDerWaalsContact O-CA 3.27Å; I231-F268 WeakPolarHBondContact O-CA 3.35Å; I231-Y269 HydrophobicContact CG2-CD2 4.15Å; I231-Y269 PolarHBondContact N-O 3.29Å; I231-Y269 PolarHBondContact O-N 2.8Å; I231-L271 HydrophobicContact CD1-CD1 3.62Å; I231-L271 HydrophobicContact CD1-CG 3.83Å; I231-V290 HydrophobicContact CB-CG2 4.43Å; I231-V290 HydrophobicContact CD1-CG1 4.32Å; I231-V290 HydrophobicContact CD1-CG2 3.99Å; I231-V290 HydrophobicContact CG1-CG2 4.1Å; I231-V290 HydrophobicContact CG2-CG2 3.47Å; I231-V290 VanDerWaalsContact CG2-CG2 3.47Å |
| 232 | Q | 96.9 | Very high | 93.7 | Very high | 81 Ų | 81 | 54.6 Ų | 54.6 | 38% | 0.379 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 129.6 | 170.6 | -173.4 | 173.3 | 28.2 | 0 | 0 | 109.5 | G219 T220 F268 | G219-Q232 CarbonylContact C-O 3.47Å; G219-Q232 WeakPolarHBondContact CA-O 3.43Å; T220-Q232 PolarHBondContact N-O 3.02Å; T220-Q232 PolarHBondContact O-N 2.94Å; Q232-F268 HydrophobicContact CB-CD1 3.91Å; Q232-F268 HydrophobicContact CB-CE1 3.72Å; Q232-F268 HydrophobicContact CG-CD1 4.12Å; Q232-F268 HydrophobicContact CG-CE1 3.61Å; Q232-F268 HydrophobicContact CG-CZ 4.1Å |
| 233 | S | 96.8 | Very high | 93.5 | Very high | 10 Ų | 10 | 56.7 Ų | 56.7 | 7% | 0.07 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 153.7 | 174.4 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | V218 S266 P267 | V218-S233 CarbonylContact O-C 3.55Å; V218-S233 VanDerWaalsContact O-CA 3.3Å; V218-S233 WeakPolarHBondContact O-CA 3.16Å; S233-S266 VanDerWaalsContact OG-CA 3.28Å; S233-S266 WeakPolarHBondContact OG-CA 3.43Å; S233-P267 WeakPolarHBondContact CB-O 3.38Å; S233-P267 PolarHBondContact N-O 2.87Å; S233-P267 VanDerWaalsContact N-O 3.08Å; S233-P267 VanDerWaalsContact OG-CD 3.23Å; S233-P267 WeakPolarHBondContact OG-CD 3.23Å; S233-P267 VanDerWaalsContact OG-N 3.07Å; S233-P267 PolarHBondContact OG-O 2.83Å |
| 234 | L | 94.5 | Very high | 93.5 | Very high | 65 Ų | 65 | 54.9 Ų | 54.9 | 34% | 0.34 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -80.8 | 150.3 | 169.5 | -64.5 | 179.1 | 0 | 0 | 0 | 110.9 | P217 V218 N236 T237 | P217-L234 HydrophobicContact CB-CD1 3.83Å; P217-L234 HydrophobicContact CG-CD1 4.06Å; V218-L234 PolarHBondContact O-N 2.92Å; L234-N236 PolarHBondContact O-N 3.43Å; L234-T237 HydrophobicContact CB-CG2 3.89Å; L234-T237 PolarHBondContact O-N 3.28Å; L234-T237 PolarHBondContact O-OG1 3.45Å |
| 235 | K | 88.5 | Confident | 93.5 | Very high | 180 Ų | 180 | 53.2 Ų | 53.2 | 78% | 0.783 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 136.5 | 174.5 | -61.8 | -165 | 176.5 | -162.9 | 0 | 110.3 | ||
| 236 | N | 83.4 | Confident | 93.6 | Very high | 130 Ų | 130 | 50 Ų | 50 | 70% | 0.695 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 2.6 | -177.9 | -39 | -75.8 | 0 | 0 | 0 | 116.9 | C137 L234 | C137-N236 PolarHBondContact SG-O 3.13Å; L234-N236 PolarHBondContact O-N 3.43Å |
| 237 | T | 88.8 | Confident | 93.9 | Very high | 32 Ų | 32 | 43.7 Ų | 43.7 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -73.4 | 144.6 | 168.6 | 57.1 | 0 | 0 | 0 | 0 | 110.8 | P217 L234 | P217-T237 WeakPolarHBondContact O-CG2 3.3Å; L234-T237 HydrophobicContact CB-CG2 3.89Å; L234-T237 PolarHBondContact O-N 3.28Å; L234-T237 PolarHBondContact O-OG1 3.45Å |
| 238 | P | 90.9 | Very high | 94 | Very high | 31 Ų | 31 | 46.2 Ų | 46.2 | 20% | 0.201 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -63.1 | 143.7 | 169.9 | 29.8 | -35.9 | 0 | 0 | 0 | 110.6 | L240 F292 Y302 | P238-L240 PolarHBondContact O-N 3.22Å; P238-F292 HydrophobicContact CG-CE2 4.28Å; P238-F292 HydrophobicContact CG-CZ 4.06Å; P238-Y302 HydrophobicContact CB-CD1 3.8Å; P238-Y302 HydrophobicContact CB-CE1 4Å; P238-Y302 HydrophobicContact CG-CD1 3.9Å; P238-Y302 HydrophobicContact CG-CE1 3.56Å |
| 239 | A | 93 | Very high | 93.9 | Very high | 14 Ų | 14 | 48.1 Ų | 48.1 | 12% | 0.116 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 121.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | P267 Y302 I303 | A239-P267 HydrophobicContact CB-CG 4.14Å; A239-Y302 WeakPolarHBondContact O-CA 3.35Å; A239-I303 HydrophobicContact CB-CB 4.11Å; A239-I303 PolarHBondContact O-N 3.04Å |
| 240 | L | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -80.1 | 148.8 | 174.2 | -54.6 | -171.2 | 0 | 0 | 0 | 110.2 | V218 P238 L246 Y269 F292 T300 E301 Y302 I303 | V218-L240 HydrophobicContact CG2-CD1 3.78Å; V218-L240 HydrophobicContact CG2-CG 4.07Å; P238-L240 PolarHBondContact O-N 3.22Å; L240-L246 HydrophobicContact CD1-CD2 3.69Å; L240-Y269 HydrophobicContact CB-CE1 3.79Å; L240-Y269 HydrophobicContact CG-CE1 4.4Å; L240-Y269 PolarHBondContact N-OH 2.92Å; L240-F292 HydrophobicContact CD1-CB 3.86Å; L240-F292 HydrophobicContact CD1-CG 4.23Å; L240-F292 HydrophobicContact CD2-CD2 4Å; L240-F292 HydrophobicContact CD2-CE2 4.32Å; L240-F292 HydrophobicContact CD2-CG 4.43Å; L240-T300 HydrophobicContact CD2-CG2 3.79Å; L240-E301 WeakPolarHBondContact CA-O 3.33Å; L240-Y302 HydrophobicContact CD2-CD1 3.66Å; L240-Y302 HydrophobicContact CD2-CE1 3.64Å; L240-I303 VanDerWaalsContact O-CD1 3.23Å; L240-I303 WeakPolarHBondContact O-CD1 3.34Å; L240-I303 WeakPolarHBondContact O-CG1 3.46Å |
| 241 | N | 93.9 | Very high | 93.5 | Very high | 48 Ų | 48 | 53.8 Ų | 53.8 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 168.2 | 172.5 | -156.3 | 11 | 0 | 0 | 0 | 110.9 | S244 E301 I303 | N241-S244 WeakPolarHBondContact O-CB 3.27Å; N241-S244 PolarHBondContact O-OG 2.81Å; N241-S244 VanDerWaalsContact O-OG 3.06Å; N241-E301 HydrophobicContact CB-CB 4.02Å; N241-E301 HydrophobicContact CB-CG 4.02Å; N241-E301 PolarHBondContact N-O 2.86Å; N241-E301 PolarHBondContact ND2-OE1 3.04Å; N241-I303 HydrophobicContact CB-CG1 4.04Å |
| 242 | E | 93.6 | Very high | 93.4 | Very high | 104 Ų | 104 | 57.1 Ų | 57.1 | 49% | 0.486 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | 163.5 | 155.7 | -69.7 | 170.5 | -159.6 | 0 | 0 | 110.9 | S244 V260 | E242-S244 PolarHBondContact O-N 2.88Å; E242-V260 HydrophobicContact CG-CG2 4.15Å |
| 243 | D | 93.2 | Very high | 93.3 | Very high | 104 Ų | 104 | 53.3 Ų | 53.3 | 56% | 0.556 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | -9 | 179.4 | -89 | 6.9 | 0 | 0 | 0 | 116.8 | K256 V257 | D243-K256 HydrophobicContact CB-CD 4.42Å; D243-K256 VanDerWaalsContact O-CE 3.28Å; D243-K256 WeakPolarHBondContact O-CE 3.41Å; D243-K256 WeakPolarHBondContact O-CG 3.22Å; D243-K256 WeakPolarHBondContact OD1-CD 3.41Å; D243-K256 WeakPolarHBondContact OD1-CE 3.35Å; D243-K256 IonicContact OD1-NZ 2.67Å; D243-K256 PolarHBondContact OD1-NZ 3.48Å; D243-K256 IonicContact OD2-NZ 2.71Å; D243-K256 PolarHBondContact OD2-NZ 2.66Å; D243-V257 PolarHBondContact N-O 3.13Å |
| 244 | S | 95.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 146.2 | 173.1 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | N241 E242 K256 V257 E301 | N241-S244 WeakPolarHBondContact O-CB 3.27Å; N241-S244 PolarHBondContact O-OG 2.81Å; N241-S244 VanDerWaalsContact O-OG 3.06Å; E242-S244 PolarHBondContact O-N 2.88Å; S244-K256 CarbonylContact O-C 3.57Å; S244-K256 WeakPolarHBondContact O-CA 3.27Å; S244-V257 WeakPolarHBondContact O-CG2 3.43Å; S244-V257 PolarHBondContact O-N 3.18Å; S244-E301 PolarHBondContact OG-N 3.19Å; S244-E301 VanDerWaalsContact OG-N 3.13Å; S244-E301 PolarHBondContact OG-O 2.78Å |
| 245 | I | 95.7 | Very high | 93.1 | Very high | 20 Ų | 20 | 50.2 Ų | 50.2 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 130.5 | 179.8 | -57.7 | 177 | 0 | 0 | 0 | 110 | V205 F247 A253 Y299 | V205-I245 HydrophobicContact CG1-CD1 4Å; V205-I245 HydrophobicContact CG1-CG2 3.97Å; I245-F247 HydrophobicContact CB-CE2 4.08Å; I245-F247 HydrophobicContact CB-CZ 4.08Å; I245-F247 HydrophobicContact CG2-CE1 4.09Å; I245-F247 HydrophobicContact CG2-CE2 3.83Å; I245-F247 HydrophobicContact CG2-CZ 3.58Å; I245-F247 WeakPolarHBondContact O-CD2 3.27Å; I245-F247 VanDerWaalsContact O-CE2 3.22Å; I245-F247 WeakPolarHBondContact O-CE2 3.22Å; I245-A253 HydrophobicContact CG2-CB 3.89Å; I245-Y299 HydrophobicContact CD1-CD1 3.74Å; I245-Y299 HydrophobicContact CD1-CE1 4.46Å; I245-Y299 HydrophobicContact CD1-CG 4.33Å; I245-Y299 PolarHBondContact N-O 2.85Å |
| 246 | L | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 150.1 | 174.1 | -58.9 | -170.6 | 0 | 0 | 0 | 111.6 | V218 I231 L240 V254 G255 V257 L271 F292 | V218-L246 HydrophobicContact CG1-CD1 4.29Å; V218-L246 HydrophobicContact CG1-CD2 3.94Å; I231-L246 HydrophobicContact CD1-CD1 3.62Å; L240-L246 HydrophobicContact CD1-CD2 3.69Å; L246-V254 WeakPolarHBondContact O-CB 3.33Å; L246-V254 PolarHBondContact O-N 2.8Å; L246-G255 PolarHBondContact N-O 3.15Å; L246-V257 HydrophobicContact CD1-CG2 4.21Å; L246-V257 HydrophobicContact CD2-CG2 4.42Å; L246-V257 HydrophobicContact CG-CG2 4.05Å; L246-L271 HydrophobicContact CD1-CD1 4.42Å; L246-L271 HydrophobicContact CD1-CD2 4.09Å; L246-L271 HydrophobicContact CD1-CG 4.49Å; L246-L271 HydrophobicContact CG-CD2 4.36Å; L246-F292 HydrophobicContact CD2-CB 4.39Å |
| 247 | F | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 155.5 | -172.8 | -59.8 | -91.6 | 0 | 0 | 0 | 111.5 | L209 L215 I245 V252 A253 Y291 A293 Y299 | L209-F247 HydrophobicContact CD1-CD1 3.76Å; L209-F247 HydrophobicContact CD1-CD2 4.11Å; L209-F247 HydrophobicContact CD1-CE1 3.79Å; L209-F247 HydrophobicContact CD1-CE2 4.13Å; L209-F247 HydrophobicContact CD1-CG 3.95Å; L209-F247 HydrophobicContact CD1-CZ 3.98Å; L209-F247 HydrophobicContact CD2-CD1 4.27Å; L209-F247 HydrophobicContact CD2-CE1 3.5Å; L209-F247 HydrophobicContact CD2-CZ 3.65Å; L209-F247 HydrophobicContact CG-CD1 3.69Å; L209-F247 HydrophobicContact CG-CE1 3.45Å; L209-F247 VanDerWaalsContact CG-CE1 3.45Å; L209-F247 HydrophobicContact CG-CG 4.39Å; L209-F247 HydrophobicContact CG-CZ 3.96Å; L215-F247 HydrophobicContact CD2-CB 3.81Å; L215-F247 HydrophobicContact CD2-CD2 4.35Å; L215-F247 HydrophobicContact CD2-CG 4.18Å; I245-F247 HydrophobicContact CB-CE2 4.08Å; I245-F247 HydrophobicContact CB-CZ 4.08Å; I245-F247 HydrophobicContact CG2-CE1 4.09Å; I245-F247 HydrophobicContact CG2-CE2 3.83Å; I245-F247 HydrophobicContact CG2-CZ 3.58Å; I245-F247 WeakPolarHBondContact O-CD2 3.27Å; I245-F247 VanDerWaalsContact O-CE2 3.22Å; I245-F247 WeakPolarHBondContact O-CE2 3.22Å; F247-V252 WeakPolarHBondContact CA-O 3.37Å; F247-A253 HydrophobicContact CD1-CB 3.95Å; F247-A253 HydrophobicContact CE1-CB 3.74Å; F247-Y291 PolarHBondContact N-O 3.14Å; F247-Y291 PolarHBondContact O-N 3.43Å; F247-A293 HydrophobicContact CD2-CB 4.44Å; F247-A293 HydrophobicContact CE2-CB 4.04Å; F247-Y299 AromaticContact CZ-CD2 3.95Å; F247-Y299 HydrophobicContact CZ-CD2 3.95Å; F247-Y299 HydrophobicContact CZ-CG 4.15Å |
| 248 | R | 95.1 | Very high | 94.4 | Very high | 79 Ų | 79 | 41.6 Ų | 41.6 | 30% | 0.298 | 21% | 0.214 | S | C | . | . | trans | -82.6 | 168.9 | 167.3 | -93.5 | 171.7 | 58.8 | 160.7 | 2.5 | 111.4 | D250 R251 V252 V254 K282 G283 | R248-D250 IonicContact CZ-OD2 3.96Å; R248-D250 IonicContact NE-OD2 2.69Å; R248-D250 PolarHBondContact NE-OD2 2.89Å; R248-D250 IonicContact NH2-OD2 2.69Å; R248-D250 PolarHBondContact NH2-OD2 3.02Å; R248-D250 PolarHBondContact O-N 3.34Å; R248-R251 PolarHBondContact O-N 3.18Å; R248-R251 VanDerWaalsContact O-N 3.15Å; R248-V252 PolarHBondContact N-O 2.83Å; R248-V254 HydrophobicContact CB-CG2 4.38Å; R248-V254 HydrophobicContact CG-CG2 3.84Å; R248-K282 VanDerWaalsContact CD-O 3.27Å; R248-K282 WeakPolarHBondContact CD-O 3.48Å; R248-K282 PolarHBondContact NH1-O 3.09Å; R248-G283 VanDerWaalsContact NH1-CA 3.35Å | ||
| 249 | S | 93.3 | Very high | 94.6 | Very high | 71 Ų | 71 | 44.2 Ų | 44.2 | 50% | 0.497 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | -33.5 | 164.7 | 46.2 | 0 | 0 | 0 | 0 | 113.2 | R251 | S249-R251 PolarHBondContact O-N 2.87Š|
| 250 | D | 93.1 | Very high | 94.7 | Very high | 84 Ų | 84 | 45.2 Ų | 45.2 | 45% | 0.449 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 16.4 | -170.3 | -33.7 | -46.1 | 0 | 0 | 0 | 112.3 | R248 V252 | R248-D250 IonicContact CZ-OD2 3.96Å; R248-D250 IonicContact NE-OD2 2.69Å; R248-D250 PolarHBondContact NE-OD2 2.89Å; R248-D250 IonicContact NH2-OD2 2.69Å; R248-D250 PolarHBondContact NH2-OD2 3.02Å; R248-D250 PolarHBondContact O-N 3.34Å; D250-V252 PolarHBondContact O-N 3.38Å; D250-V252 VanDerWaalsContact O-N 3.09Å |
| 251 | R | 93.8 | Very high | 94.6 | Very high | 74 Ų | 74 | 49 Ų | 49 | 28% | 0.279 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 65.1 | 2.6 | 179.7 | -49 | -170.4 | 168.1 | -102.1 | -1.5 | 116 | S208 L209 P210 E211 A213 L215 R248 S249 | S208-R251 WeakPolarHBondContact CA-O 3.49Å; L209-R251 HydrophobicContact CB-CB 4.26Å; L209-R251 PolarHBondContact N-O 3.34Å; P210-R251 PolarHBondContact O-NH1 3.17Å; E211-R251 PolarHBondContact O-NH1 3.33Å; E211-R251 VanDerWaalsContact O-NH1 3.13Å; E211-R251 PolarHBondContact O-NH2 3.49Å; A213-R251 PolarHBondContact O-NH1 3.2Å; L215-R251 HydrophobicContact CD1-CB 4.16Å; L215-R251 HydrophobicContact CD1-CG 3.67Å; R248-R251 PolarHBondContact O-N 3.18Å; R248-R251 VanDerWaalsContact O-N 3.15Å; S249-R251 PolarHBondContact O-N 2.87Å |
| 252 | V | 94.3 | Very high | 94.6 | Very high | 70 Ų | 70 | 49.1 Ų | 49.1 | 42% | 0.424 | 26% | 0.258 | S | S | . | . | B | Isolated β-bridge | trans | -84.1 | 136.2 | 177.5 | -178 | 0 | 0 | 0 | 0 | 110.9 | F247 R248 D250 | F247-V252 WeakPolarHBondContact CA-O 3.37Å; R248-V252 PolarHBondContact N-O 2.83Å; D250-V252 PolarHBondContact O-N 3.38Å; D250-V252 VanDerWaalsContact O-N 3.09Å |
| 253 | A | 94.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 132.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | V205 V207 I245 F247 K282 | V205-A253 HydrophobicContact CG1-CB 3.72Å; V207-A253 HydrophobicContact CB-CB 4.04Å; V207-A253 WeakPolarHBondContact O-CB 3.5Å; V207-A253 PolarHBondContact O-N 3.04Å; I245-A253 HydrophobicContact CG2-CB 3.89Å; F247-A253 HydrophobicContact CD1-CB 3.95Å; F247-A253 HydrophobicContact CE1-CB 3.74Å; A253-K282 PolarHBondContact O-NZ 2.88Å |
| 254 | V | 94 | Very high | 94.1 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -56.7 | 179.5 | 177.5 | 0 | 0 | 0 | 0 | 109.3 | L246 R248 L271 F273 K282 L284 | L246-V254 WeakPolarHBondContact O-CB 3.33Å; L246-V254 PolarHBondContact O-N 2.8Å; R248-V254 HydrophobicContact CB-CG2 4.38Å; R248-V254 HydrophobicContact CG-CG2 3.84Å; V254-L271 HydrophobicContact CB-CD1 4.42Å; V254-L271 HydrophobicContact CG1-CD1 3.59Å; V254-F273 HydrophobicContact CG1-CZ 4.12Å; V254-K282 WeakPolarHBondContact O-CD 3.5Å; V254-K282 WeakPolarHBondContact O-CE 3.28Å; V254-K282 PolarHBondContact O-NZ 2.98Å; V254-L284 HydrophobicContact CG1-CD1 3.53Å; V254-L284 HydrophobicContact CG1-CD2 3.75Å; V254-L284 HydrophobicContact CG1-CG 3.95Å; V254-L284 HydrophobicContact CG2-CD2 4.28Å |
| 255 | G | 94.3 | Very high | 93.6 | Very high | 8 Ų | 8 | 50.4 Ų | 50.4 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177 | 177.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L246 | L246-G255 PolarHBondContact N-O 3.15Å |
| 256 | K | 95.2 | Very high | 93.5 | Very high | 81 Ų | 81 | 51.2 Ų | 51.2 | 35% | 0.352 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 140.1 | 177.7 | -144.3 | -169.2 | -166.2 | -163.8 | 0 | 110 | V205 D243 S244 F258 L271 | V205-K256 HydrophobicContact CG2-CB 4.4Å; D243-K256 HydrophobicContact CB-CD 4.42Å; D243-K256 VanDerWaalsContact O-CE 3.28Å; D243-K256 WeakPolarHBondContact O-CE 3.41Å; D243-K256 WeakPolarHBondContact O-CG 3.22Å; D243-K256 WeakPolarHBondContact OD1-CD 3.41Å; D243-K256 WeakPolarHBondContact OD1-CE 3.35Å; D243-K256 IonicContact OD1-NZ 2.67Å; D243-K256 PolarHBondContact OD1-NZ 3.48Å; D243-K256 IonicContact OD2-NZ 2.71Å; D243-K256 PolarHBondContact OD2-NZ 2.66Å; S244-K256 CarbonylContact O-C 3.57Å; S244-K256 WeakPolarHBondContact O-CA 3.27Å; K256-F258 PolarHBondContact O-N 2.84Å; K256-L271 WeakPolarHBondContact O-CD2 3.46Å |
| 257 | V | 96.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 117.3 | 170.8 | 175.8 | 0 | 0 | 0 | 0 | 108.5 | D243 S244 L246 V260 Y269 L271 | D243-V257 PolarHBondContact N-O 3.13Å; S244-V257 WeakPolarHBondContact O-CG2 3.43Å; S244-V257 PolarHBondContact O-N 3.18Å; L246-V257 HydrophobicContact CD1-CG2 4.21Å; L246-V257 HydrophobicContact CD2-CG2 4.42Å; L246-V257 HydrophobicContact CG-CG2 4.05Å; V257-V260 HydrophobicContact CG1-CG2 3.59Å; V257-Y269 HydrophobicContact CG1-CD1 4.23Å; V257-Y269 HydrophobicContact CG2-CD1 4.45Å; V257-L271 HydrophobicContact CG2-CD2 4.33Å |
| 258 | F | 95.6 | Very high | 93.5 | Very high | 79 Ų | 79 | 53.6 Ų | 53.6 | 35% | 0.346 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -34.2 | -179.6 | 172.8 | -102.7 | 0 | 0 | 0 | 112.1 | L199 K256 V270 R272 | L199-F258 HydrophobicContact CD1-CE2 4.36Å; L199-F258 HydrophobicContact CD1-CZ 3.85Å; K256-F258 PolarHBondContact O-N 2.84Å; F258-V270 HydrophobicContact CD1-CB 4.48Å; F258-V270 HydrophobicContact CD1-CG1 4.08Å; F258-V270 PolarHBondContact N-O 3.11Å; F258-R272 HydrophobicContact CB-CB 3.98Å; F258-R272 HydrophobicContact CD1-CB 4.22Å; F258-R272 HydrophobicContact CD2-CB 4.1Å; F258-R272 HydrophobicContact CG-CB 3.82Å |
| 259 | E | 94.9 | Very high | 93.6 | Very high | 87 Ų | 87 | 49.9 Ų | 49.9 | 41% | 0.407 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 149.3 | -177 | -168.5 | -174.9 | 160.8 | 0 | 0 | 109.8 | V270 | E259-V270 HydrophobicContact CB-CB 3.99Å; E259-V270 HydrophobicContact CB-CG2 3.97Å; E259-V270 PolarHBondContact O-N 2.99Å |
| 260 | V | 95 | Very high | 93.7 | Very high | 34 Ų | 34 | 46.8 Ų | 46.8 | 21% | 0.206 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 118.7 | 176.3 | -168.7 | 0 | 0 | 0 | 0 | 109.7 | E242 V257 P267 F268 Y269 I303 | E242-V260 HydrophobicContact CG-CG2 4.15Å; V257-V260 HydrophobicContact CG1-CG2 3.59Å; V260-P267 HydrophobicContact CG1-CB 3.85Å; V260-F268 WeakPolarHBondContact CA-O 3.39Å; V260-Y269 HydrophobicContact CB-CD1 4.49Å; V260-Y269 HydrophobicContact CG1-CD1 3.91Å; V260-Y269 HydrophobicContact CG1-CE1 3.88Å; V260-Y269 HydrophobicContact CG2-CD1 3.98Å; V260-Y269 HydrophobicContact CG2-CE1 4.37Å; V260-I303 HydrophobicContact CB-CD1 4.47Å; V260-I303 HydrophobicContact CG1-CD1 4.12Å |
| 261 | F | 94.4 | Very high | 93.9 | Very high | 79 Ų | 79 | 42.8 Ų | 42.8 | 35% | 0.346 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 167.7 | -174 | 73.8 | -86 | 0 | 0 | 0 | 113.7 | I230 F268 V270 | I230-F261 HydrophobicContact CG2-CE1 4.27Å; I230-F261 HydrophobicContact CG2-CZ 3.95Å; F261-F268 HydrophobicContact CD1-CB 3.87Å; F261-F268 HydrophobicContact CD2-CB 4.11Å; F261-F268 HydrophobicContact CD2-CD2 4.41Å; F261-F268 HydrophobicContact CE1-CB 3.46Å; F261-F268 VanDerWaalsContact CE1-CB 3.46Å; F261-F268 HydrophobicContact CE1-CG 4.47Å; F261-F268 HydrophobicContact CE2-CB 3.73Å; F261-F268 HydrophobicContact CE2-CD2 4.07Å; F261-F268 AromaticContact CE2-CG 3.97Å; F261-F268 HydrophobicContact CE2-CG 3.97Å; F261-F268 HydrophobicContact CG-CB 4.18Å; F261-F268 HydrophobicContact CZ-CB 3.39Å; F261-F268 HydrophobicContact CZ-CD2 4.5Å; F261-F268 AromaticContact CZ-CG 3.93Å; F261-F268 HydrophobicContact CZ-CG 3.93Å; F261-F268 PolarHBondContact N-O 3.45Å; F261-F268 PolarHBondContact O-N 3.07Å; F261-V270 HydrophobicContact CD1-CG2 3.87Å; F261-V270 HydrophobicContact CE1-CG2 3.61Å |
| 262 | G | 93.9 | Very high | 93.9 | Very high | 52 Ų | 52 | 40.1 Ų | 40.1 | 54% | 0.536 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 84.3 | -165.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 263 | P | 90.6 | Very high | 93.9 | Very high | 77 Ų | 77 | 37.1 Ų | 37.1 | 50% | 0.5 | 21% | 0.212 | S | C | . | . | trans | -67.2 | 135.7 | -171.9 | -20.9 | 33.2 | 0 | 0 | 0 | 112.9 | C265 S266 P267 | P263-C265 PolarHBondContact O-N 2.78Å; P263-S266 CarbonylContact O-C 3.58Å; P263-S266 PolarHBondContact O-N 3.44Å; P263-P267 WeakPolarHBondContact O-CA 3.18Å | ||
| 264 | V | 84.9 | Confident | 93.7 | Very high | 75 Ų | 75 | 40.1 Ų | 40.1 | 46% | 0.455 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -24.4 | -178.3 | -174.8 | 0 | 0 | 0 | 0 | 113.6 | M305 | V264-M305 HydrophobicContact CG1-CG 3.7Å; V264-M305 HydrophobicContact CG1-SD 3.69Å |
| 265 | C | 85.9 | Confident | 93.6 | Very high | 84 Ų | 84 | 42 Ų | 42 | 57% | 0.568 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -11.3 | 176.2 | -60.3 | 0 | 0 | 0 | 0 | 113.9 | P263 | P263-C265 PolarHBondContact O-N 2.78Š|
| 266 | S | 91.9 | Very high | 93.4 | Very high | 37 Ų | 37 | 44.6 Ų | 44.6 | 26% | 0.259 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -157.5 | 65.8 | 178.5 | 62.6 | 0 | 0 | 0 | 0 | 110.5 | S233 P263 | S233-S266 VanDerWaalsContact OG-CA 3.28Å; S233-S266 WeakPolarHBondContact OG-CA 3.43Å; P263-S266 CarbonylContact O-C 3.58Å; P263-S266 PolarHBondContact O-N 3.44Å |
| 267 | P | 95.3 | Very high | 93.2 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 4% | 0.039 | 27% | 0.27 | C | S | . | . | trans | -64.1 | 157.7 | -178.7 | 26.8 | -36.3 | 0 | 0 | 0 | 112.4 | S233 A239 V260 P263 Y269 | S233-P267 WeakPolarHBondContact CB-O 3.38Å; S233-P267 PolarHBondContact N-O 2.87Å; S233-P267 VanDerWaalsContact N-O 3.08Å; S233-P267 VanDerWaalsContact OG-CD 3.23Å; S233-P267 WeakPolarHBondContact OG-CD 3.23Å; S233-P267 VanDerWaalsContact OG-N 3.07Å; S233-P267 PolarHBondContact OG-O 2.83Å; A239-P267 HydrophobicContact CB-CG 4.14Å; V260-P267 HydrophobicContact CG1-CB 3.85Å; P263-P267 WeakPolarHBondContact O-CA 3.18Å; P267-Y269 HydrophobicContact CB-CE1 4.43Å; P267-Y269 HydrophobicContact CG-CE1 4.23Å; P267-Y269 HydrophobicContact CG-CE2 4.39Å | ||
| 268 | F | 96.8 | Very high | 93 | Very high | 45 Ų | 45 | 47.5 Ų | 47.5 | 20% | 0.197 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 135.9 | 165.6 | -63.9 | -94.6 | 0 | 0 | 0 | 108.9 | I230 I231 Q232 V260 F261 | I230-F268 HydrophobicContact CG2-CB 4.39Å; I230-F268 HydrophobicContact CG2-CD1 4.08Å; I231-F268 CarbonylContact O-C 3.55Å; I231-F268 VanDerWaalsContact O-CA 3.27Å; I231-F268 WeakPolarHBondContact O-CA 3.35Å; Q232-F268 HydrophobicContact CB-CD1 3.91Å; Q232-F268 HydrophobicContact CB-CE1 3.72Å; Q232-F268 HydrophobicContact CG-CD1 4.12Å; Q232-F268 HydrophobicContact CG-CE1 3.61Å; Q232-F268 HydrophobicContact CG-CZ 4.1Å; V260-F268 WeakPolarHBondContact CA-O 3.39Å; F261-F268 HydrophobicContact CD1-CB 3.87Å; F261-F268 HydrophobicContact CD2-CB 4.11Å; F261-F268 HydrophobicContact CD2-CD2 4.41Å; F261-F268 HydrophobicContact CE1-CB 3.46Å; F261-F268 VanDerWaalsContact CE1-CB 3.46Å; F261-F268 HydrophobicContact CE1-CG 4.47Å; F261-F268 HydrophobicContact CE2-CB 3.73Å; F261-F268 HydrophobicContact CE2-CD2 4.07Å; F261-F268 AromaticContact CE2-CG 3.97Å; F261-F268 HydrophobicContact CE2-CG 3.97Å; F261-F268 HydrophobicContact CG-CB 4.18Å; F261-F268 HydrophobicContact CZ-CB 3.39Å; F261-F268 HydrophobicContact CZ-CD2 4.5Å; F261-F268 AromaticContact CZ-CG 3.93Å; F261-F268 HydrophobicContact CZ-CG 3.93Å; F261-F268 PolarHBondContact N-O 3.45Å; F261-F268 PolarHBondContact O-N 3.07Å |
| 269 | Y | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132.9 | 177.8 | -51.2 | -75.1 | 0 | 0 | 0 | 109.7 | V218 I231 L240 V257 V260 P267 | V218-Y269 HydrophobicContact CG2-CD2 4.46Å; V218-Y269 HydrophobicContact CG2-CE2 3.65Å; I231-Y269 HydrophobicContact CG2-CD2 4.15Å; I231-Y269 PolarHBondContact N-O 3.29Å; I231-Y269 PolarHBondContact O-N 2.8Å; L240-Y269 HydrophobicContact CB-CE1 3.79Å; L240-Y269 HydrophobicContact CG-CE1 4.4Å; L240-Y269 PolarHBondContact N-OH 2.92Å; V257-Y269 HydrophobicContact CG1-CD1 4.23Å; V257-Y269 HydrophobicContact CG2-CD1 4.45Å; V260-Y269 HydrophobicContact CB-CD1 4.49Å; V260-Y269 HydrophobicContact CG1-CD1 3.91Å; V260-Y269 HydrophobicContact CG1-CE1 3.88Å; V260-Y269 HydrophobicContact CG2-CD1 3.98Å; V260-Y269 HydrophobicContact CG2-CE1 4.37Å; P267-Y269 HydrophobicContact CB-CE1 4.43Å; P267-Y269 HydrophobicContact CG-CE1 4.23Å; P267-Y269 HydrophobicContact CG-CE2 4.39Å |
| 270 | V | 96.9 | Very high | 92.7 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 131.6 | 171 | -175 | 0 | 0 | 0 | 0 | 109.3 | L228 V229 F258 E259 F261 | L228-V270 HydrophobicContact CB-CG1 4.17Å; L228-V270 HydrophobicContact CD1-CG1 4.22Å; L228-V270 HydrophobicContact CD2-CG1 3.98Å; L228-V270 HydrophobicContact CG-CG1 4.35Å; V229-V270 WeakPolarHBondContact O-CA 3.46Å; F258-V270 HydrophobicContact CD1-CB 4.48Å; F258-V270 HydrophobicContact CD1-CG1 4.08Å; F258-V270 PolarHBondContact N-O 3.11Å; E259-V270 HydrophobicContact CB-CB 3.99Å; E259-V270 HydrophobicContact CB-CG2 3.97Å; E259-V270 PolarHBondContact O-N 2.99Å; F261-V270 HydrophobicContact CD1-CG2 3.87Å; F261-V270 HydrophobicContact CE1-CG2 3.61Å |
| 271 | L | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 128.3 | 160.6 | -57.3 | -179.9 | 0 | 0 | 0 | 108.6 | L228 V229 I231 L246 V254 K256 V257 F273 | L228-L271 CarbonylContact C-O 3.56Å; L228-L271 WeakPolarHBondContact CA-O 3.29Å; V229-L271 HydrophobicContact CB-CB 4.36Å; V229-L271 PolarHBondContact N-O 3.14Å; V229-L271 PolarHBondContact O-N 3.11Å; I231-L271 HydrophobicContact CD1-CD1 3.62Å; I231-L271 HydrophobicContact CD1-CG 3.83Å; L246-L271 HydrophobicContact CD1-CD1 4.42Å; L246-L271 HydrophobicContact CD1-CD2 4.09Å; L246-L271 HydrophobicContact CD1-CG 4.49Å; L246-L271 HydrophobicContact CG-CD2 4.36Å; V254-L271 HydrophobicContact CB-CD1 4.42Å; V254-L271 HydrophobicContact CG1-CD1 3.59Å; K256-L271 WeakPolarHBondContact O-CD2 3.46Å; V257-L271 HydrophobicContact CG2-CD2 4.33Å; L271-F273 HydrophobicContact CB-CE2 3.64Å; L271-F273 HydrophobicContact CB-CZ 4.05Å; L271-F273 HydrophobicContact CD1-CE2 4.44Å; L271-F273 HydrophobicContact CD1-CZ 4.22Å |
| 272 | R | 94.7 | Very high | 92.3 | Very high | 19 Ų | 19 | 44 Ų | 44 | 7% | 0.072 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 134.7 | 174 | -178.3 | 173.9 | 169.9 | -111.8 | -3.2 | 110.4 | L196 L199 P200 V202 L228 F258 | L196-R272 PolarHBondContact O-NH2 3.5Å; L199-R272 PolarHBondContact O-NH2 2.93Å; P200-R272 PolarHBondContact O-NH1 2.87Å; P200-R272 PolarHBondContact O-NH2 2.91Å; V202-R272 HydrophobicContact CG2-CB 4.12Å; V202-R272 HydrophobicContact CG2-CG 3.79Å; L228-R272 HydrophobicContact CD2-CB 3.65Å; L228-R272 HydrophobicContact CD2-CG 3.7Å; F258-R272 HydrophobicContact CB-CB 3.98Å; F258-R272 HydrophobicContact CD1-CB 4.22Å; F258-R272 HydrophobicContact CD2-CB 4.1Å; F258-R272 HydrophobicContact CG-CB 3.82Å |
| 273 | F | 93.4 | Very high | 92.2 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | trans | -118.9 | 170.2 | 174.7 | -62.6 | -85.9 | 0 | 0 | 0 | 110.3 | Q227 V229 V254 L271 Q278 I279 K282 L284 | Q227-F273 VanDerWaalsContact CD-O 3.27Å; Q227-F273 WeakPolarHBondContact CG-O 3.14Å; Q227-F273 PolarHBondContact O-N 2.87Å; Q227-F273 PolarHBondContact OE1-O 3.17Å; V229-F273 HydrophobicContact CB-CE2 4.26Å; V229-F273 HydrophobicContact CG2-CD2 4.07Å; V229-F273 HydrophobicContact CG2-CE2 3.63Å; V254-F273 HydrophobicContact CG1-CZ 4.12Å; L271-F273 HydrophobicContact CB-CE2 3.64Å; L271-F273 HydrophobicContact CB-CZ 4.05Å; L271-F273 HydrophobicContact CD1-CE2 4.44Å; L271-F273 HydrophobicContact CD1-CZ 4.22Å; F273-Q278 HydrophobicContact CB-CB 4.26Å; F273-Q278 HydrophobicContact CD1-CB 4.13Å; F273-I279 HydrophobicContact CB-CG1 4.12Å; F273-I279 HydrophobicContact CD2-CD1 4.02Å; F273-I279 HydrophobicContact CD2-CG1 3.48Å; F273-I279 VanDerWaalsContact CD2-CG1 3.48Å; F273-I279 HydrophobicContact CE2-CG1 4.04Å; F273-I279 HydrophobicContact CG-CG1 3.8Å; F273-K282 HydrophobicContact CD1-CD 4.22Å; F273-K282 HydrophobicContact CE1-CD 3.61Å; F273-L284 HydrophobicContact CE2-CD1 4.1Å; F273-L284 HydrophobicContact CZ-CD1 3.91Å | ||
| 274 | N | 91.8 | Very high | 92.3 | Very high | 64 Ų | 64 | 39.6 Ų | 39.6 | 34% | 0.342 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -88.6 | -10.9 | 175.8 | -58.6 | -48.5 | 0 | 0 | 0 | 112.9 | A201 V202 Q227 | A201-N274 WeakPolarHBondContact CA-OD1 3.19Å; V202-N274 PolarHBondContact N-OD1 3.13Å; V202-N274 PolarHBondContact O-ND2 3.22Å; Q227-N274 PolarHBondContact OE1-O 2.82Å |
| 275 | S | 90.8 | Very high | 92.7 | Very high | 40 Ų | 40 | 40 Ų | 40 | 28% | 0.28 | 25% | 0.248 | S | C | . | . | trans | -162.3 | 161.1 | 171.4 | 72.5 | 0 | 0 | 0 | 0 | 111.9 | D277 Q278 | S275-D277 PolarHBondContact O-N 2.89Å; S275-D277 PolarHBondContact OG-N 2.85Å; S275-Q278 PolarHBondContact O-N 2.91Å; S275-Q278 PolarHBondContact OG-N 2.93Å | ||
| 276 | S | 90.4 | Very high | 93.2 | Very high | 63 Ų | 63 | 41.5 Ų | 41.5 | 44% | 0.441 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.6 | -24.5 | 167.9 | 51.3 | 0 | 0 | 0 | 0 | 113.5 | I279 S280 | S276-I279 WeakPolarHBondContact O-CB 3.49Å; S276-I279 PolarHBondContact O-N 3.32Å; S276-S280 PolarHBondContact O-N 3.26Å; S276-S280 PolarHBondContact O-OG 2.96Å |
| 277 | D | 91.7 | Very high | 93.4 | Very high | 113 Ų | 113 | 42.4 Ų | 42.4 | 60% | 0.604 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -75.6 | -31.5 | -177.6 | -56.1 | -18.6 | 0 | 0 | 0 | 111 | S275 I279 S280 S281 | S275-D277 PolarHBondContact O-N 2.89Å; S275-D277 PolarHBondContact OG-N 2.85Å; D277-I279 VanDerWaalsContact C-N 3.34Å; D277-S280 PolarHBondContact O-N 3.43Å; D277-S281 WeakPolarHBondContact O-CB 3.43Å; D277-S281 PolarHBondContact O-N 3.05Å; D277-S281 PolarHBondContact O-OG 2.95Å |
| 278 | Q | 91.4 | Very high | 93.3 | Very high | 31 Ų | 31 | 43.8 Ų | 43.8 | 15% | 0.145 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65 | -36.3 | 170.2 | -77.5 | -173.7 | -41.8 | 0 | 0 | 112.3 | E204 F273 S275 S280 S281 K282 | E204-Q278 PolarHBondContact OE2-NE2 3.31Å; F273-Q278 HydrophobicContact CB-CB 4.26Å; F273-Q278 HydrophobicContact CD1-CB 4.13Å; S275-Q278 PolarHBondContact O-N 2.91Å; S275-Q278 PolarHBondContact OG-N 2.93Å; Q278-S280 VanDerWaalsContact C-N 3.31Å; Q278-S280 PolarHBondContact O-N 3.48Å; Q278-S281 WeakPolarHBondContact CA-OG 3.36Å; Q278-S281 PolarHBondContact O-N 2.83Å; Q278-S281 PolarHBondContact O-OG 2.89Å; Q278-K282 VanDerWaalsContact O-CB 3.29Å; Q278-K282 WeakPolarHBondContact O-CB 3.47Å; Q278-K282 WeakPolarHBondContact O-CG 3.36Å; Q278-K282 PolarHBondContact O-N 2.91Å |
| 279 | I | 92.2 | Very high | 93.3 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.4 | -45 | 175 | -57.1 | 175.4 | 0 | 0 | 0 | 109.7 | I224 V229 F273 S276 D277 G283 L284 | I224-I279 HydrophobicContact CD1-CG2 3.99Å; I224-I279 HydrophobicContact CG2-CD1 3.83Å; I224-I279 HydrophobicContact CG2-CG2 4.16Å; V229-I279 HydrophobicContact CG2-CB 4.44Å; V229-I279 HydrophobicContact CG2-CD1 3.7Å; V229-I279 HydrophobicContact CG2-CG1 3.92Å; V229-I279 HydrophobicContact CG2-CG2 3.67Å; F273-I279 HydrophobicContact CB-CG1 4.12Å; F273-I279 HydrophobicContact CD2-CD1 4.02Å; F273-I279 HydrophobicContact CD2-CG1 3.48Å; F273-I279 VanDerWaalsContact CD2-CG1 3.48Å; F273-I279 HydrophobicContact CE2-CG1 4.04Å; F273-I279 HydrophobicContact CG-CG1 3.8Å; S276-I279 WeakPolarHBondContact O-CB 3.49Å; S276-I279 PolarHBondContact O-N 3.32Å; D277-I279 VanDerWaalsContact C-N 3.34Å; I279-G283 PolarHBondContact O-N 3.28Å; I279-L284 HydrophobicContact CG2-CB 3.85Å; I279-L284 HydrophobicContact CG2-CD1 4.23Å; I279-L284 PolarHBondContact O-N 2.91Å |
| 280 | S | 92.1 | Very high | 93.3 | Very high | 84 Ų | 84 | 44.3 Ų | 44.3 | 59% | 0.587 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -70.5 | -39.4 | 179.6 | -57.7 | 0 | 0 | 0 | 0 | 112.9 | S276 D277 Q278 G283 | S276-S280 PolarHBondContact O-N 3.26Å; S276-S280 PolarHBondContact O-OG 2.96Å; D277-S280 PolarHBondContact O-N 3.43Å; Q278-S280 VanDerWaalsContact C-N 3.31Å; Q278-S280 PolarHBondContact O-N 3.48Å; S280-G283 WeakPolarHBondContact O-CA 3.32Å; S280-G283 PolarHBondContact O-N 2.82Å |
| 281 | S | 91.4 | Very high | 93.3 | Very high | 90 Ų | 90 | 46.7 Ų | 46.7 | 63% | 0.629 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -71.4 | -37.1 | 178.8 | 71.9 | 0 | 0 | 0 | 0 | 112.4 | D277 Q278 G283 | D277-S281 WeakPolarHBondContact O-CB 3.43Å; D277-S281 PolarHBondContact O-N 3.05Å; D277-S281 PolarHBondContact O-OG 2.95Å; Q278-S281 WeakPolarHBondContact CA-OG 3.36Å; Q278-S281 PolarHBondContact O-N 2.83Å; Q278-S281 PolarHBondContact O-OG 2.89Å; S281-G283 PolarHBondContact O-N 3.09Å |
| 282 | K | 90.3 | Very high | 93.3 | Very high | 28 Ų | 28 | 46.7 Ų | 46.7 | 12% | 0.122 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -1.4 | 167.4 | -71.5 | 164.4 | 169.2 | -81.4 | 0 | 112.6 | E204 V205 R248 A253 V254 F273 Q278 L284 | E204-K282 WeakPolarHBondContact OE1-CE 3.44Å; E204-K282 IonicContact OE1-NZ 3.15Å; V205-K282 PolarHBondContact O-NZ 3.25Å; R248-K282 VanDerWaalsContact CD-O 3.27Å; R248-K282 WeakPolarHBondContact CD-O 3.48Å; R248-K282 PolarHBondContact NH1-O 3.09Å; A253-K282 PolarHBondContact O-NZ 2.88Å; V254-K282 WeakPolarHBondContact O-CD 3.5Å; V254-K282 WeakPolarHBondContact O-CE 3.28Å; V254-K282 PolarHBondContact O-NZ 2.98Å; F273-K282 HydrophobicContact CD1-CD 4.22Å; F273-K282 HydrophobicContact CE1-CD 3.61Å; Q278-K282 VanDerWaalsContact O-CB 3.29Å; Q278-K282 WeakPolarHBondContact O-CB 3.47Å; Q278-K282 WeakPolarHBondContact O-CG 3.36Å; Q278-K282 PolarHBondContact O-N 2.91Å; K282-L284 VanDerWaalsContact C-N 3.34Å; K282-L284 PolarHBondContact O-N 3.06Å |
| 283 | G | 90.1 | Very high | 93.3 | Very high | 29 Ų | 29 | 45.8 Ų | 45.8 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 39.9 | 172 | 0 | 0 | 0 | 0 | 0 | 113.7 | R248 I279 S280 S281 | R248-G283 VanDerWaalsContact NH1-CA 3.35Å; I279-G283 PolarHBondContact O-N 3.28Å; S280-G283 WeakPolarHBondContact O-CA 3.32Å; S280-G283 PolarHBondContact O-N 2.82Å; S281-G283 PolarHBondContact O-N 3.09Å |
| 284 | L | 93 | Very high | 93.3 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.037 | 29% | 0.292 | C | S | . | . | trans | -82.2 | 134.9 | 166.8 | -64.5 | 176 | 0 | 0 | 0 | 109.7 | V221 V229 V254 F273 I279 K282 V290 | V221-L284 HydrophobicContact CG2-CD2 4.37Å; V229-L284 HydrophobicContact CB-CD1 4.4Å; V229-L284 HydrophobicContact CG1-CD1 4.21Å; V229-L284 HydrophobicContact CG2-CD1 3.89Å; V254-L284 HydrophobicContact CG1-CD1 3.53Å; V254-L284 HydrophobicContact CG1-CD2 3.75Å; V254-L284 HydrophobicContact CG1-CG 3.95Å; V254-L284 HydrophobicContact CG2-CD2 4.28Å; F273-L284 HydrophobicContact CE2-CD1 4.1Å; F273-L284 HydrophobicContact CZ-CD1 3.91Å; I279-L284 HydrophobicContact CG2-CB 3.85Å; I279-L284 HydrophobicContact CG2-CD1 4.23Å; I279-L284 PolarHBondContact O-N 2.91Å; K282-L284 VanDerWaalsContact C-N 3.34Å; K282-L284 PolarHBondContact O-N 3.06Å; L284-V290 HydrophobicContact CD2-CG1 4.3Å | ||
| 285 | T | 94.3 | Very high | 93.3 | Very high | 83 Ų | 83 | 47 Ų | 47 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | trans | -137.8 | 156.8 | 170.5 | 56.1 | 0 | 0 | 0 | 0 | 109.2 | V221 G287 S288 | V221-T285 WeakPolarHBondContact CB-O 3.46Å; T285-G287 PolarHBondContact O-N 2.88Å; T285-S288 WeakPolarHBondContact O-CB 3.23Å; T285-S288 PolarHBondContact O-N 3.46Å; T285-S288 PolarHBondContact O-OG 3.24Å; T285-S288 PolarHBondContact OG1-OG 3.01Å | ||
| 286 | E | 95.6 | Very high | 93.3 | Very high | 116 Ų | 116 | 47.8 Ų | 47.8 | 54% | 0.542 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 137.6 | 173.5 | -61.3 | -178.4 | 153.2 | 0 | 0 | 110.7 | V221 S223 I224 S288 | V221-E286 HydrophobicContact CG1-CG 4.48Å; S223-E286 WeakPolarHBondContact CA-OE1 3.44Å; S223-E286 PolarHBondContact OG-OE1 2.79Å; I224-E286 HydrophobicContact CD1-CG 4.27Å; I224-E286 HydrophobicContact CG1-CG 4.18Å; I224-E286 PolarHBondContact N-OE1 2.79Å; E286-S288 VanDerWaalsContact C-N 3.31Å; E286-S288 PolarHBondContact O-N 3.42Å |
| 287 | G | 95.4 | Very high | 93.3 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 58% | 0.577 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | -9.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | V221 T285 T289 | V221-G287 PolarHBondContact O-N 2.77Å; T285-G287 PolarHBondContact O-N 2.88Å; G287-T289 PolarHBondContact O-N 2.97Å |
| 288 | S | 95.1 | Very high | 93.2 | Very high | 35 Ų | 35 | 56.5 Ų | 56.5 | 25% | 0.245 | 33% | 0.33 | C | S | . | . | trans | -66.6 | 129.5 | 177.7 | -74.2 | 0 | 0 | 0 | 0 | 112.2 | T220 V221 T285 E286 | T220-S288 WeakPolarHBondContact CA-O 3.45Å; V221-S288 PolarHBondContact N-O 3.45Å; T285-S288 WeakPolarHBondContact O-CB 3.23Å; T285-S288 PolarHBondContact O-N 3.46Å; T285-S288 PolarHBondContact O-OG 3.24Å; T285-S288 PolarHBondContact OG1-OG 3.01Å; E286-S288 VanDerWaalsContact C-N 3.31Å; E286-S288 PolarHBondContact O-N 3.42Å | ||
| 289 | T | 96.7 | Very high | 93.2 | Very high | 56 Ų | 56 | 57.9 Ų | 57.9 | 34% | 0.344 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 133.3 | 173.7 | -47.1 | 0 | 0 | 0 | 0 | 111 | P217 G219 G287 Y291 | P217-T289 HydrophobicContact CB-CG2 3.96Å; G219-T289 WeakPolarHBondContact O-CA 3.41Å; G287-T289 PolarHBondContact O-N 2.97Å; T289-Y291 HydrophobicContact CG2-CE1 4.43Å; T289-Y291 HydrophobicContact CG2-CE2 3.89Å; T289-Y291 WeakPolarHBondContact O-CE2 3.28Å |
| 290 | V | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 155.4 | 173.5 | -73.2 | 0 | 0 | 0 | 0 | 111 | V218 G219 I231 L284 | V218-V290 HydrophobicContact CG1-CB 4.38Å; V218-V290 HydrophobicContact CG1-CG2 3.7Å; V218-V290 PolarHBondContact N-O 2.92Å; G219-V290 PolarHBondContact N-O 2.88Å; G219-V290 WeakPolarHBondContact O-CG2 3.15Å; G219-V290 PolarHBondContact O-N 3.14Å; I231-V290 HydrophobicContact CB-CG2 4.43Å; I231-V290 HydrophobicContact CD1-CG1 4.32Å; I231-V290 HydrophobicContact CD1-CG2 3.99Å; I231-V290 HydrophobicContact CG1-CG2 4.1Å; I231-V290 HydrophobicContact CG2-CG2 3.47Å; I231-V290 VanDerWaalsContact CG2-CG2 3.47Å; L284-V290 HydrophobicContact CD2-CG1 4.3Å |
| 291 | Y | 96.4 | Very high | 93.4 | Very high | 57 Ų | 57 | 59.5 Ų | 59.5 | 22% | 0.224 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 159.6 | -167.7 | -59.6 | -100.8 | 0 | 0 | 0 | 111.1 | Q216 P217 F247 T289 | Q216-Y291 CarbonylContact O-C 3.49Å; Q216-Y291 WeakPolarHBondContact O-CA 3.41Å; Q216-Y291 WeakPolarHBondContact O-CB 3.17Å; P217-Y291 HydrophobicContact CB-CD1 4Å; P217-Y291 HydrophobicContact CB-CE1 3.89Å; F247-Y291 PolarHBondContact N-O 3.14Å; F247-Y291 PolarHBondContact O-N 3.43Å; T289-Y291 HydrophobicContact CG2-CE1 4.43Å; T289-Y291 HydrophobicContact CG2-CE2 3.89Å; T289-Y291 WeakPolarHBondContact O-CE2 3.28Å |
| 292 | F | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 162.8 | 175.3 | 75 | -74.7 | 0 | 0 | 0 | 110 | L215 Q216 V218 P238 L240 L246 P294 T300 Y302 | L215-F292 WeakPolarHBondContact CA-O 3.15Å; Q216-F292 HydrophobicContact CB-CD1 4.02Å; Q216-F292 HydrophobicContact CB-CE1 3.44Å; Q216-F292 VanDerWaalsContact CB-CE1 3.44Å; Q216-F292 HydrophobicContact CB-CZ 3.81Å; Q216-F292 PolarHBondContact N-O 3.29Å; Q216-F292 WeakPolarHBondContact O-CD1 3.39Å; Q216-F292 PolarHBondContact O-N 2.83Å; V218-F292 HydrophobicContact CB-CB 4.4Å; V218-F292 HydrophobicContact CB-CD1 3.66Å; V218-F292 HydrophobicContact CB-CE1 4.35Å; V218-F292 HydrophobicContact CB-CG 4.35Å; V218-F292 HydrophobicContact CG2-CD1 4.17Å; P238-F292 HydrophobicContact CG-CE2 4.28Å; P238-F292 HydrophobicContact CG-CZ 4.06Å; L240-F292 HydrophobicContact CD1-CB 3.86Å; L240-F292 HydrophobicContact CD1-CG 4.23Å; L240-F292 HydrophobicContact CD2-CD2 4Å; L240-F292 HydrophobicContact CD2-CE2 4.32Å; L240-F292 HydrophobicContact CD2-CG 4.43Å; L246-F292 HydrophobicContact CD2-CB 4.39Å; F292-P294 HydrophobicContact CD2-CB 4.34Å; F292-P294 HydrophobicContact CE2-CB 3.78Å; F292-P294 HydrophobicContact CE2-CG 4.3Å; F292-P294 HydrophobicContact CZ-CB 4.48Å; F292-P294 WeakPolarHBondContact O-CD 3.21Å; F292-T300 HydrophobicContact CD2-CG2 3.72Å; F292-T300 HydrophobicContact CE2-CG2 4.36Å; F292-Y302 HydrophobicContact CD2-CE1 4.47Å; F292-Y302 AromaticContact CE2-CE1 3.93Å; F292-Y302 HydrophobicContact CE2-CE1 3.93Å |
| 293 | A | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | trans | -112.1 | 78.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L209 F247 A295 L296 T300 | L209-A293 HydrophobicContact CD1-CB 3.72Å; F247-A293 HydrophobicContact CD2-CB 4.44Å; F247-A293 HydrophobicContact CE2-CB 4.04Å; A293-A295 PolarHBondContact O-N 3.05Å; A293-L296 HydrophobicContact CB-CB 4.11Å; A293-L296 HydrophobicContact CB-CD1 4.15Å; A293-L296 HydrophobicContact CB-CG 4.37Å; A293-L296 PolarHBondContact O-N 3.23Å; A293-T300 PolarHBondContact N-OG1 2.69Å; A293-T300 PolarHBondContact O-OG1 2.84Å | ||
| 294 | P | 92.7 | Very high | 93.2 | Very high | 28 Ų | 28 | 63.4 Ų | 63.4 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26 | -167.1 | 22.8 | -36.2 | 0 | 0 | 0 | 115.3 | E214 Q216 F292 Y302 | E214-P294 HydrophobicContact CB-CG 4.43Å; E214-P294 HydrophobicContact CG-CG 4.13Å; Q216-P294 HydrophobicContact CB-CG 4.37Å; Q216-P294 HydrophobicContact CG-CG 3.9Å; F292-P294 HydrophobicContact CD2-CB 4.34Å; F292-P294 HydrophobicContact CE2-CB 3.78Å; F292-P294 HydrophobicContact CE2-CG 4.3Å; F292-P294 HydrophobicContact CZ-CB 4.48Å; F292-P294 WeakPolarHBondContact O-CD 3.21Å; P294-Y302 VanDerWaalsContact CA-OH 3.27Å; P294-Y302 WeakPolarHBondContact CA-OH 3.46Å; P294-Y302 WeakPolarHBondContact CB-OH 3.48Å |
| 295 | A | 91.4 | Very high | 92.6 | Very high | 69 Ų | 69 | 67.2 Ų | 67.2 | 57% | 0.57 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -20.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A293 | A293-A295 PolarHBondContact O-N 3.05Š|
| 296 | L | 91.3 | Very high | 91.9 | Very high | 55 Ų | 55 | 71 Ų | 71 | 29% | 0.288 | 37% | 0.366 | S | S | . | . | trans | -107 | 87.6 | -169.7 | -60.8 | 179.3 | 0 | 0 | 0 | 110.8 | L209 A213 A293 E298 Y299 T300 | L209-L296 HydrophobicContact CD2-CD1 3.7Å; A213-L296 HydrophobicContact CB-CD1 4.19Å; A293-L296 HydrophobicContact CB-CB 4.11Å; A293-L296 HydrophobicContact CB-CD1 4.15Å; A293-L296 HydrophobicContact CB-CG 4.37Å; A293-L296 PolarHBondContact O-N 3.23Å; L296-E298 PolarHBondContact O-N 3.01Å; L296-E298 VanDerWaalsContact O-N 3.11Å; L296-Y299 HydrophobicContact CB-CD2 3.87Å; L296-Y299 HydrophobicContact CB-CG 4.49Å; L296-Y299 HydrophobicContact CD1-CD2 3.77Å; L296-Y299 HydrophobicContact CD1-CE2 3.9Å; L296-Y299 HydrophobicContact CG-CD2 4.46Å; L296-Y299 PolarHBondContact O-N 3.36Å; L296-T300 PolarHBondContact O-N 2.69Å | ||
| 297 | K | 90.8 | Very high | 91.2 | Very high | 188 Ų | 188 | 71.1 Ų | 71.1 | 82% | 0.817 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -19.1 | 179.1 | -62.6 | -176.1 | 179.4 | -177 | 0 | 114.5 | Y299 | K297-Y299 PolarHBondContact O-N 2.79Š|
| 298 | E | 90.3 | Very high | 90.4 | Very high | 172 Ų | 172 | 72.4 Ų | 72.4 | 80% | 0.804 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -18.7 | 173.4 | -65.4 | 172.2 | -161.3 | 0 | 0 | 112.4 | L296 | L296-E298 PolarHBondContact O-N 3.01Å; L296-E298 VanDerWaalsContact O-N 3.11Å |
| 299 | Y | 91.1 | Very high | 89.5 | Confident | 60 Ų | 60 | 79.4 Ų | 79.4 | 24% | 0.235 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | -9.3 | -176.2 | -53.8 | -31.6 | 0 | 0 | 0 | 113.6 | V207 L209 I245 F247 L296 K297 | V207-Y299 HydrophobicContact CG1-CE2 4.17Å; L209-Y299 HydrophobicContact CD2-CD2 3.65Å; L209-Y299 HydrophobicContact CD2-CE2 3.55Å; I245-Y299 HydrophobicContact CD1-CD1 3.74Å; I245-Y299 HydrophobicContact CD1-CE1 4.46Å; I245-Y299 HydrophobicContact CD1-CG 4.33Å; I245-Y299 PolarHBondContact N-O 2.85Å; F247-Y299 AromaticContact CZ-CD2 3.95Å; F247-Y299 HydrophobicContact CZ-CD2 3.95Å; F247-Y299 HydrophobicContact CZ-CG 4.15Å; L296-Y299 HydrophobicContact CB-CD2 3.87Å; L296-Y299 HydrophobicContact CB-CG 4.49Å; L296-Y299 HydrophobicContact CD1-CD2 3.77Å; L296-Y299 HydrophobicContact CD1-CE2 3.9Å; L296-Y299 HydrophobicContact CG-CD2 4.46Å; L296-Y299 PolarHBondContact O-N 3.36Å; K297-Y299 PolarHBondContact O-N 2.79Å |
| 300 | T | 94.3 | Very high | 88.6 | Confident | 6 Ų | 6 | 83.9 Ų | 83.9 | 4% | 0.037 | 41% | 0.406 | C | S | . | . | trans | -139.2 | 114 | -176.4 | -61.1 | 0 | 0 | 0 | 0 | 110.3 | L240 F292 A293 L296 Y302 | L240-T300 HydrophobicContact CD2-CG2 3.79Å; F292-T300 HydrophobicContact CD2-CG2 3.72Å; F292-T300 HydrophobicContact CE2-CG2 4.36Å; A293-T300 PolarHBondContact N-OG1 2.69Å; A293-T300 PolarHBondContact O-OG1 2.84Å; L296-T300 PolarHBondContact O-N 2.69Å; T300-Y302 HydrophobicContact CG2-CD1 4.34Å; T300-Y302 HydrophobicContact CG2-CE1 3.67Å; T300-Y302 HydrophobicContact CG2-CE2 4.03Å | ||
| 301 | E | 93.4 | Very high | 87.3 | Confident | 114 Ų | 114 | 89.3 Ų | 89.3 | 53% | 0.533 | 44% | 0.435 | S | S | . | . | trans | -112 | 152.5 | 168.9 | -168.6 | 173.6 | 124.4 | 0 | 0 | 110.1 | L240 N241 S244 | L240-E301 WeakPolarHBondContact CA-O 3.33Å; N241-E301 HydrophobicContact CB-CB 4.02Å; N241-E301 HydrophobicContact CB-CG 4.02Å; N241-E301 PolarHBondContact N-O 2.86Å; N241-E301 PolarHBondContact ND2-OE1 3.04Å; S244-E301 PolarHBondContact OG-N 3.19Å; S244-E301 VanDerWaalsContact OG-N 3.13Å; S244-E301 PolarHBondContact OG-O 2.78Å | ||
| 302 | Y | 92.5 | Very high | 86 | Confident | 79 Ų | 79 | 96 Ų | 96 | 31% | 0.31 | 47% | 0.465 | S | S | . | . | B | Isolated β-bridge | trans | -123 | 136.9 | -173 | -58.3 | -76.2 | 0 | 0 | 0 | 112.3 | P238 A239 L240 F292 P294 T300 L304 | P238-Y302 HydrophobicContact CB-CD1 3.8Å; P238-Y302 HydrophobicContact CB-CE1 4Å; P238-Y302 HydrophobicContact CG-CD1 3.9Å; P238-Y302 HydrophobicContact CG-CE1 3.56Å; A239-Y302 WeakPolarHBondContact O-CA 3.35Å; L240-Y302 HydrophobicContact CD2-CD1 3.66Å; L240-Y302 HydrophobicContact CD2-CE1 3.64Å; F292-Y302 HydrophobicContact CD2-CE1 4.47Å; F292-Y302 AromaticContact CE2-CE1 3.93Å; F292-Y302 HydrophobicContact CE2-CE1 3.93Å; P294-Y302 VanDerWaalsContact CA-OH 3.27Å; P294-Y302 WeakPolarHBondContact CA-OH 3.46Å; P294-Y302 WeakPolarHBondContact CB-OH 3.48Å; T300-Y302 HydrophobicContact CG2-CD1 4.34Å; T300-Y302 HydrophobicContact CG2-CE1 3.67Å; T300-Y302 HydrophobicContact CG2-CE2 4.03Å; Y302-L304 PolarHBondContact O-N 3.31Å; Y302-L304 VanDerWaalsContact O-N 3.09Å |
| 303 | I | 89 | Confident | 84.5 | Confident | 42 Ų | 42 | 99 Ų | 99 | 22% | 0.215 | 50% | 0.497 | C | S | . | . | trans | -73.8 | 101.8 | 173.4 | -61.4 | 177.7 | 0 | 0 | 0 | 109.3 | A239 L240 N241 V260 M305 L308 | A239-I303 HydrophobicContact CB-CB 4.11Å; A239-I303 PolarHBondContact O-N 3.04Å; L240-I303 VanDerWaalsContact O-CD1 3.23Å; L240-I303 WeakPolarHBondContact O-CD1 3.34Å; L240-I303 WeakPolarHBondContact O-CG1 3.46Å; N241-I303 HydrophobicContact CB-CG1 4.04Å; V260-I303 HydrophobicContact CB-CD1 4.47Å; V260-I303 HydrophobicContact CG1-CD1 4.12Å; I303-M305 PolarHBondContact O-N 2.75Å; I303-L308 HydrophobicContact CG2-CD1 3.47Å; I303-L308 VanDerWaalsContact CG2-CD1 3.47Å; I303-L308 HydrophobicContact CG2-CG 4.05Å | ||
| 304 | L | 85.6 | Confident | 82.6 | Confident | 109 Ų | 109 | 102.6 Ų | 102.6 | 57% | 0.571 | 52% | 0.522 | S | S | * | . | trans | -73.8 | 96.2 | 175.2 | -65.7 | 177.6 | 0 | 0 | 0 | 110.4 | Y302 Q306 Q307 L308 | Y302-L304 PolarHBondContact O-N 3.31Å; Y302-L304 VanDerWaalsContact O-N 3.09Å; L304-Q306 PolarHBondContact O-N 3.45Å; L304-Q307 HydrophobicContact CB-CB 4.12Å; L304-Q307 WeakPolarHBondContact O-CA 3.44Å; L304-Q307 VanDerWaalsContact O-CB 3.32Å; L304-Q307 WeakPolarHBondContact O-CB 3.11Å; L304-Q307 PolarHBondContact O-N 3.41Å; L304-L308 PolarHBondContact O-N 2.87Å | ||
| 305 | M | 80.4 | Confident | 80.9 | Confident | 86 Ų | 86 | 109.2 Ų | 109.2 | 42% | 0.424 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -49 | -29.9 | 177.2 | -69.3 | -169 | -81.4 | 0 | 0 | 114.7 | V264 I303 K309 | V264-M305 HydrophobicContact CG1-CG 3.7Å; V264-M305 HydrophobicContact CG1-SD 3.69Å; I303-M305 PolarHBondContact O-N 2.75Å; M305-K309 WeakPolarHBondContact O-CG 3.3Å; M305-K309 PolarHBondContact O-N 2.81Å; M305-K309 VanDerWaalsContact O-N 3.09Å |
| 306 | Q | 80.6 | Confident | 78.9 | Confident | 164 Ų | 164 | 107.7 Ų | 107.7 | 77% | 0.766 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -68.5 | -34 | 176.5 | -65.6 | -178 | -1.7 | 0 | 0 | 112.3 | L304 K309 L310 | L304-Q306 PolarHBondContact O-N 3.45Å; Q306-K309 PolarHBondContact O-N 3.19Å; Q306-L310 WeakPolarHBondContact O-CG 3.05Å; Q306-L310 PolarHBondContact O-N 2.82Å |
| 307 | Q | 80.4 | Confident | 76.9 | Confident | 117 Ų | 117 | 109.2 Ų | 109.2 | 55% | 0.547 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -72.5 | -41.7 | 175.4 | -172.9 | 169.6 | -29.1 | 0 | 0 | 110.9 | L304 K309 L310 L311 | L304-Q307 HydrophobicContact CB-CB 4.12Å; L304-Q307 WeakPolarHBondContact O-CA 3.44Å; L304-Q307 VanDerWaalsContact O-CB 3.32Å; L304-Q307 WeakPolarHBondContact O-CB 3.11Å; L304-Q307 PolarHBondContact O-N 3.41Å; Q307-K309 VanDerWaalsContact C-N 3.28Å; Q307-K309 PolarHBondContact O-N 2.98Å; Q307-L310 PolarHBondContact O-N 3.16Å; Q307-L311 HydrophobicContact CG-CD1 4.39Å; Q307-L311 PolarHBondContact O-N 3.37Å |
| 308 | L | 77.7 | Confident | 75.5 | Confident | 84 Ų | 84 | 107 Ų | 107 | 44% | 0.44 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.2 | -38.6 | 171.4 | -66.6 | -174.8 | 0 | 0 | 0 | 112.5 | I303 L304 L310 L311 | I303-L308 HydrophobicContact CG2-CD1 3.47Å; I303-L308 VanDerWaalsContact CG2-CD1 3.47Å; I303-L308 HydrophobicContact CG2-CG 4.05Å; L304-L308 PolarHBondContact O-N 2.87Å; L308-L310 PolarHBondContact O-N 2.61Å; L308-L311 HydrophobicContact CD2-CD1 4.27Å; L308-L311 PolarHBondContact O-N 2.97Å; L308-L311 VanDerWaalsContact O-O 3.07Å |
| 309 | K | 77.1 | Confident | 73.7 | Confident | 181 Ų | 181 | 106.2 Ų | 106.2 | 79% | 0.787 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -14.4 | 176.4 | -73.2 | 176 | -178.4 | -176.4 | 0 | 114.5 | M305 Q306 Q307 | M305-K309 WeakPolarHBondContact O-CG 3.3Å; M305-K309 PolarHBondContact O-N 2.81Å; M305-K309 VanDerWaalsContact O-N 3.09Å; Q306-K309 PolarHBondContact O-N 3.19Å; Q307-K309 VanDerWaalsContact C-N 3.28Å; Q307-K309 PolarHBondContact O-N 2.98Å |
| 310 | L | 76.9 | Confident | 72.1 | Confident | 150 Ų | 150 | 109.5 Ų | 109.5 | 79% | 0.785 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -27.6 | 172.4 | -65.5 | 170 | 0 | 0 | 0 | 111.9 | Q306 Q307 L308 K312 | Q306-L310 WeakPolarHBondContact O-CG 3.05Å; Q306-L310 PolarHBondContact O-N 2.82Å; Q307-L310 PolarHBondContact O-N 3.16Å; L308-L310 PolarHBondContact O-N 2.61Å; L310-K312 PolarHBondContact O-N 2.86Å |
| 311 | L | 71.3 | Confident | 70.7 | Confident | 115 Ų | 115 | 115.1 Ų | 115.1 | 60% | 0.602 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -71.3 | 93.6 | 169.5 | -74.1 | 160 | 0 | 0 | 0 | 109.4 | Q307 L308 G313 | Q307-L311 HydrophobicContact CG-CD1 4.39Å; Q307-L311 PolarHBondContact O-N 3.37Å; L308-L311 HydrophobicContact CD2-CD1 4.27Å; L308-L311 PolarHBondContact O-N 2.97Å; L308-L311 VanDerWaalsContact O-O 3.07Å; L311-G313 PolarHBondContact O-N 3.33Å |
| 312 | K | 67.1 | Low | 69.3 | Low | 197 Ų | 197 | 114.3 Ų | 114.3 | 86% | 0.857 | 59% | 0.589 | S | S | * | * | trans | -69.2 | 79.1 | 176.2 | -176.9 | 62.1 | 170.1 | 169 | 0 | 110.1 | L310 | L310-K312 PolarHBondContact O-N 2.86Š| ||
| 313 | G | 64.9 | Low | 68.1 | Low | 64 Ų | 64 | 118.4 Ų | 118.4 | 66% | 0.66 | 61% | 0.611 | S | S | * | * | trans | -59 | 141.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L311 | L311-G313 PolarHBondContact O-N 3.33Š| ||
| 314 | S | 55.9 | Low | 67.1 | Low | 75 Ų | 75 | 117.2 Ų | 117.2 | 52% | 0.524 | 61% | 0.606 | S | S | . | * | trans | -93.6 | 131.1 | 167.9 | -58.8 | 0 | 0 | 0 | 0 | 108.1 | A316 | S314-A316 PolarHBondContact O-N 2.85Š| ||
| 315 | D | 57.6 | Low | 66.3 | Low | 166 Ų | 166 | 115 Ų | 115 | 89% | 0.888 | 60% | 0.598 | S | S | * | * | trans | -75.8 | 31.1 | 172.8 | 55.4 | -29.9 | 0 | 0 | 0 | 112.3 | S317 | D315-S317 PolarHBondContact O-N 3.46Å; D315-S317 VanDerWaalsContact O-N 3.16Å | ||
| 316 | A | 48.4 | Very low | 65.6 | Low | 37 Ų | 37 | 116.6 Ų | 116.6 | 31% | 0.306 | 61% | 0.609 | S | S | . | * | trans | -95.8 | 62.7 | -160.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S314 W318 P324 | S314-A316 PolarHBondContact O-N 2.85Å; A316-W318 PolarHBondContact O-N 2.94Å; A316-P324 HydrophobicContact CB-CG 3.86Å | ||
| 317 | S | 49.5 | Very low | 64.5 | Low | 87 Ų | 87 | 115.9 Ų | 115.9 | 61% | 0.608 | 61% | 0.605 | S | S | * | * | trans | -54.7 | 98.8 | 160.5 | -75 | 0 | 0 | 0 | 0 | 109.4 | D315 D321 | D315-S317 PolarHBondContact O-N 3.46Å; D315-S317 VanDerWaalsContact O-N 3.16Å; S317-D321 WeakPolarHBondContact CB-OD1 3.13Å; S317-D321 PolarHBondContact OG-OD1 3.06Å | ||
| 318 | W | 61.2 | Low | 63.7 | Low | 141 Ų | 141 | 112.6 Ų | 112.6 | 53% | 0.534 | 60% | 0.598 | S | S | . | * | trans | -84.8 | -141.5 | 179 | -159.8 | 49.2 | 0 | 0 | 0 | 109.7 | A316 N320 D322 P324 P325 | A316-W318 PolarHBondContact O-N 2.94Å; W318-N320 PolarHBondContact O-N 3.13Å; W318-N320 VanDerWaalsContact O-N 3.13Å; W318-D322 WeakPolarHBondContact CB-O 3.45Å; W318-D322 PolarHBondContact N-O 2.71Å; W318-P324 HydrophobicContact CB-CB 4.34Å; W318-P324 HydrophobicContact CD2-CB 4.09Å; W318-P324 HydrophobicContact CG-CB 3.91Å; W318-P325 HydrophobicContact CH2-CG 3.8Å; W318-P325 HydrophobicContact CZ2-CG 4.38Å; W318-P325 HydrophobicContact CZ3-CG 4.13Å | ||
| 319 | K | 53 | Low | 63.3 | Low | 157 Ų | 157 | 111.4 Ų | 111.4 | 68% | 0.683 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 100.7 | 176.4 | -166 | 65.4 | 171.9 | 177 | 0 | 109.3 | ||
| 320 | N | 57.3 | Low | 62.5 | Low | 128 Ų | 128 | 110.8 Ų | 110.8 | 68% | 0.684 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.3 | 36.4 | -178.9 | -26.7 | -49.2 | 0 | 0 | 0 | 114.9 | W318 D322 | W318-N320 PolarHBondContact O-N 3.13Å; W318-N320 VanDerWaalsContact O-N 3.13Å; N320-D322 PolarHBondContact O-N 3.23Å |
| 321 | D | 65.7 | Low | 62 | Low | 124 Ų | 124 | 107.5 Ų | 107.5 | 66% | 0.663 | 58% | 0.575 | S | S | * | * | S | Bend | trans | 62.8 | 3.2 | 178.9 | -61.1 | -54.2 | 0 | 0 | 0 | 116.6 | S317 | S317-D321 WeakPolarHBondContact CB-OD1 3.13Å; S317-D321 PolarHBondContact OG-OD1 3.06Å |
| 322 | D | 63.8 | Low | 61.8 | Low | 98 Ų | 98 | 108.6 Ų | 108.6 | 52% | 0.524 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -55.5 | 147.3 | 159.9 | -69.9 | -54.3 | 0 | 0 | 0 | 111.3 | W318 N320 | W318-D322 WeakPolarHBondContact CB-O 3.45Å; W318-D322 PolarHBondContact N-O 2.71Å; N320-D322 PolarHBondContact O-N 3.23Å |
| 323 | E | 66.4 | Low | 61.9 | Low | 165 Ų | 165 | 101.8 Ų | 101.8 | 77% | 0.771 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 142.7 | 167.9 | -70.8 | -165.8 | 144.3 | 0 | 0 | 111.1 | ||
| 324 | P | 68.4 | Low | 62 | Low | 17 Ų | 17 | 104.5 Ų | 104.5 | 11% | 0.11 | 57% | 0.565 | C | S | . | * | P | Polyproline II helix | trans | -67.7 | 134.4 | 172.7 | 29.1 | -34.2 | 0 | 0 | 0 | 110.5 | A316 W318 L329 | A316-P324 HydrophobicContact CB-CG 3.86Å; W318-P324 HydrophobicContact CB-CB 4.34Å; W318-P324 HydrophobicContact CD2-CB 4.09Å; W318-P324 HydrophobicContact CG-CB 3.91Å; P324-L329 HydrophobicContact CG-CD2 3.96Å; P324-L329 HydrophobicContact CG-CG 4.43Å |
| 325 | P | 68.4 | Low | 62.9 | Low | 62 Ų | 62 | 108.2 Ų | 108.2 | 40% | 0.403 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 160.4 | -177.2 | 28.1 | -36.4 | 0 | 0 | 0 | 112.6 | W318 E327 A328 L329 | W318-P325 HydrophobicContact CH2-CG 3.8Å; W318-P325 HydrophobicContact CZ2-CG 4.38Å; W318-P325 HydrophobicContact CZ3-CG 4.13Å; P325-E327 PolarHBondContact O-N 2.87Å; P325-A328 HydrophobicContact CG-CB 4.37Å; P325-A328 WeakPolarHBondContact O-CA 3.45Å; P325-A328 PolarHBondContact O-N 3.02Å; P325-L329 PolarHBondContact O-N 3.19Å |
| 326 | D | 65.3 | Low | 63.8 | Low | 120 Ų | 120 | 105.8 Ų | 105.8 | 64% | 0.642 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.3 | -29.5 | 178.4 | -73.2 | 7.3 | 0 | 0 | 0 | 116.4 | ||
| 327 | E | 58.8 | Low | 65.1 | Low | 148 Ų | 148 | 107.4 Ų | 107.4 | 69% | 0.692 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -13.6 | 178.6 | -54.7 | -154.4 | 146.8 | 0 | 0 | 114 | P325 I344 | P325-E327 PolarHBondContact O-N 2.87Å; E327-I344 HydrophobicContact CB-CD1 4.37Å; E327-I344 HydrophobicContact CG-CD1 3.91Å; E327-I344 HydrophobicContact CG-CG1 4.32Å; E327-I344 WeakPolarHBondContact OE1-CG2 3.48Å |
| 328 | A | 62.4 | Low | 66.1 | Low | 49 Ų | 49 | 108 Ų | 108 | 41% | 0.405 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | 1.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P325 D330 | P325-A328 HydrophobicContact CG-CB 4.37Å; P325-A328 WeakPolarHBondContact O-CA 3.45Å; P325-A328 PolarHBondContact O-N 3.02Å; A328-D330 PolarHBondContact O-N 2.9Å |
| 329 | L | 69.4 | Low | 66.8 | Low | 58 Ų | 58 | 106 Ų | 106 | 30% | 0.304 | 55% | 0.546 | S | S | . | . | trans | -68.2 | 114.3 | 170.3 | -86.8 | 168.1 | 0 | 0 | 0 | 110.8 | P324 P325 Y331 | P324-L329 HydrophobicContact CG-CD2 3.96Å; P324-L329 HydrophobicContact CG-CG 4.43Å; P325-L329 PolarHBondContact O-N 3.19Å; L329-Y331 HydrophobicContact CB-CE2 4.49Å; L329-Y331 WeakPolarHBondContact O-CD2 3.04Å; L329-Y331 VanDerWaalsContact O-CE2 3.28Å; L329-Y331 WeakPolarHBondContact O-CE2 3.47Å; L329-Y331 PolarHBondContact O-N 3.38Å | ||
| 330 | D | 60.1 | Low | 67.7 | Low | 168 Ų | 168 | 99 Ų | 99 | 90% | 0.898 | 52% | 0.518 | S | S | * | . | trans | -74.1 | 105.6 | 177.7 | -90.9 | -32 | 0 | 0 | 0 | 111.5 | A328 S332 | A328-D330 PolarHBondContact O-N 2.9Å; D330-S332 PolarHBondContact O-N 3.2Å | ||
| 331 | Y | 67.6 | Low | 68.5 | Low | 82 Ų | 82 | 98.3 Ų | 98.3 | 32% | 0.322 | 51% | 0.509 | S | S | . | . | trans | -78.4 | 113.2 | 176.7 | -60.7 | -78.1 | 0 | 0 | 0 | 111.3 | L329 D333 K336 E337 A340 | L329-Y331 HydrophobicContact CB-CE2 4.49Å; L329-Y331 WeakPolarHBondContact O-CD2 3.04Å; L329-Y331 VanDerWaalsContact O-CE2 3.28Å; L329-Y331 WeakPolarHBondContact O-CE2 3.47Å; L329-Y331 PolarHBondContact O-N 3.38Å; Y331-D333 PolarHBondContact O-N 3.31Å; Y331-K336 HydrophobicContact CD1-CB 3.84Å; Y331-K336 HydrophobicContact CG-CB 4.21Å; Y331-E337 HydrophobicContact CD2-CB 4.2Å; Y331-E337 HydrophobicContact CD2-CG 4.25Å; Y331-E337 HydrophobicContact CG-CB 4.42Å; Y331-A340 HydrophobicContact CD2-CB 4.33Å; Y331-A340 HydrophobicContact CE1-CB 4.43Å; Y331-A340 HydrophobicContact CE2-CB 3.41Å; Y331-A340 VanDerWaalsContact CE2-CB 3.41Å; Y331-A340 VanDerWaalsContact CZ-CB 3.48Å; Y331-A340 WeakPolarHBondContact OH-CB 3.28Å | ||
| 332 | S | 65.6 | Low | 68.9 | Low | 137 Ų | 137 | 100 Ų | 100 | 96% | 0.958 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -67.7 | 14.5 | 172.6 | -167.8 | 0 | 0 | 0 | 0 | 114.4 | D330 | D330-S332 PolarHBondContact O-N 3.2Š|
| 333 | D | 70.9 | Confident | 69.5 | Low | 55 Ų | 55 | 100.4 Ų | 100.4 | 29% | 0.294 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -149.3 | 113.4 | -166.7 | 177.3 | -9.4 | 0 | 0 | 0 | 108.4 | Y331 E335 K336 E337 | Y331-D333 PolarHBondContact O-N 3.31Å; D333-E335 VanDerWaalsContact C-N 3.26Å; D333-E335 PolarHBondContact O-N 3.27Å; D333-E335 PolarHBondContact OD1-N 3.14Å; D333-K336 HydrophobicContact CB-CB 4.28Å; D333-K336 HydrophobicContact CB-CD 4.24Å; D333-K336 HydrophobicContact CB-CG 4.24Å; D333-K336 PolarHBondContact O-N 3.13Å; D333-K336 VanDerWaalsContact O-N 3.13Å; D333-K336 WeakPolarHBondContact OD2-CE 3.08Å; D333-K336 WeakPolarHBondContact OD2-CG 3.31Å; D333-K336 IonicContact OD2-NZ 2.66Å; D333-K336 PolarHBondContact OD2-NZ 3.45Å; D333-E337 PolarHBondContact O-N 3.32Å; D333-E337 VanDerWaalsContact O-N 3.14Å |
| 334 | D | 65.2 | Low | 69.9 | Low | 121 Ų | 121 | 94.9 Ų | 94.9 | 65% | 0.647 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -73.7 | -14.7 | -169.8 | 72.3 | -65.2 | 0 | 0 | 0 | 113.8 | Q338 | D334-Q338 VanDerWaalsContact O-CG 3.31Å; D334-Q338 WeakPolarHBondContact O-CG 3.21Å; D334-Q338 PolarHBondContact O-NE2 2.88Å |
| 335 | E | 76.9 | Confident | 70.1 | Confident | 152 Ų | 152 | 101.8 Ų | 101.8 | 71% | 0.71 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -73.7 | -41.9 | 168.4 | -175.7 | 162.6 | -149.6 | 0 | 0 | 110.9 | D333 Q338 E339 | D333-E335 VanDerWaalsContact C-N 3.26Å; D333-E335 PolarHBondContact O-N 3.27Å; D333-E335 PolarHBondContact OD1-N 3.14Å; E335-Q338 PolarHBondContact O-N 3.19Å; E335-E339 PolarHBondContact O-N 2.78Å; E335-E339 VanDerWaalsContact O-N 3.14Å |
| 336 | K | 75.8 | Confident | 70.4 | Confident | 116 Ų | 116 | 103 Ų | 103 | 50% | 0.504 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.9 | -41.6 | 179.6 | -69.7 | -173.4 | -178.7 | 106.9 | 0 | 112.7 | Y331 D333 Q338 E339 A340 | Y331-K336 HydrophobicContact CD1-CB 3.84Å; Y331-K336 HydrophobicContact CG-CB 4.21Å; D333-K336 HydrophobicContact CB-CB 4.28Å; D333-K336 HydrophobicContact CB-CD 4.24Å; D333-K336 HydrophobicContact CB-CG 4.24Å; D333-K336 PolarHBondContact O-N 3.13Å; D333-K336 VanDerWaalsContact O-N 3.13Å; D333-K336 WeakPolarHBondContact OD2-CE 3.08Å; D333-K336 WeakPolarHBondContact OD2-CG 3.31Å; D333-K336 IonicContact OD2-NZ 2.66Å; D333-K336 PolarHBondContact OD2-NZ 3.45Å; K336-Q338 VanDerWaalsContact C-N 3.26Å; K336-Q338 PolarHBondContact O-N 3.42Å; K336-E339 PolarHBondContact O-N 3.14Å; K336-A340 PolarHBondContact O-N 3.33Å |
| 337 | E | 76 | Confident | 70.7 | Confident | 71 Ų | 71 | 101.7 Ų | 101.7 | 33% | 0.332 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -55.1 | -45.2 | 175.1 | -161.4 | -118.1 | 110.5 | 0 | 0 | 110.9 | Y331 D333 E339 K341 | Y331-E337 HydrophobicContact CD2-CB 4.2Å; Y331-E337 HydrophobicContact CD2-CG 4.25Å; Y331-E337 HydrophobicContact CG-CB 4.42Å; D333-E337 PolarHBondContact O-N 3.32Å; D333-E337 VanDerWaalsContact O-N 3.14Å; E337-E339 VanDerWaalsContact C-N 3.33Å; E337-E339 PolarHBondContact O-N 2.91Å; E337-K341 WeakPolarHBondContact O-CB 3.28Å; E337-K341 PolarHBondContact O-N 2.93Å; E337-K341 WeakPolarHBondContact OE1-CD 3.33Å; E337-K341 VanDerWaalsContact OE1-CE 3.28Å; E337-K341 WeakPolarHBondContact OE1-CE 3.21Å; E337-K341 IonicContact OE1-NZ 2.87Å; E337-K341 PolarHBondContact OE1-NZ 3.03Å |
| 338 | Q | 69.5 | Low | 71.2 | Confident | 99 Ų | 99 | 100.6 Ų | 100.6 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.7 | -26.7 | 178 | -72.9 | 179.4 | 72.3 | 0 | 0 | 113.9 | D334 E335 K336 R342 | D334-Q338 VanDerWaalsContact O-CG 3.31Å; D334-Q338 WeakPolarHBondContact O-CG 3.21Å; D334-Q338 PolarHBondContact O-NE2 2.88Å; E335-Q338 PolarHBondContact O-N 3.19Å; K336-Q338 VanDerWaalsContact C-N 3.26Å; K336-Q338 PolarHBondContact O-N 3.42Å; Q338-R342 WeakPolarHBondContact O-CB 3.41Å; Q338-R342 PolarHBondContact O-N 3.23Å |
| 339 | E | 75.9 | Confident | 71.3 | Confident | 98 Ų | 98 | 108.3 Ų | 108.3 | 46% | 0.458 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -78.4 | -46.2 | 175.9 | -149 | -144.3 | 166.2 | 0 | 0 | 111.7 | E335 K336 E337 R342 K343 | E335-E339 PolarHBondContact O-N 2.78Å; E335-E339 VanDerWaalsContact O-N 3.14Å; K336-E339 PolarHBondContact O-N 3.14Å; E337-E339 VanDerWaalsContact C-N 3.33Å; E337-E339 PolarHBondContact O-N 2.91Å; E339-R342 CarbonylContact O-C 3.02Å; E339-R342 WeakPolarHBondContact O-CA 3.43Å; E339-R342 WeakPolarHBondContact O-CB 3.43Å; E339-R342 PolarHBondContact O-N 3.03Å; E339-K343 WeakPolarHBondContact O-CG 3.32Å; E339-K343 PolarHBondContact O-N 3.41Å; E339-K343 WeakPolarHBondContact OE1-CE 3Å; E339-K343 IonicContact OE1-NZ 3.7Å; E339-K343 PolarHBondContact OE1-NZ 2.96Å; E339-K343 IonicContact OE2-NZ 2.92Å; E339-K343 PolarHBondContact OE2-NZ 3.04Å |
| 340 | A | 72.8 | Confident | 71.1 | Confident | 11 Ų | 11 | 111.7 Ų | 111.7 | 9% | 0.091 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -60 | -50.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y331 K336 R342 K343 I344 | Y331-A340 HydrophobicContact CD2-CB 4.33Å; Y331-A340 HydrophobicContact CE1-CB 4.43Å; Y331-A340 HydrophobicContact CE2-CB 3.41Å; Y331-A340 VanDerWaalsContact CE2-CB 3.41Å; Y331-A340 VanDerWaalsContact CZ-CB 3.48Å; Y331-A340 WeakPolarHBondContact OH-CB 3.28Å; K336-A340 PolarHBondContact O-N 3.33Å; A340-R342 PolarHBondContact O-N 3.48Å; A340-K343 WeakPolarHBondContact O-CB 3.36Å; A340-K343 PolarHBondContact O-N 2.66Å; A340-I344 WeakPolarHBondContact O-CG1 3.48Å; A340-I344 PolarHBondContact O-N 3Å |
| 341 | K | 72.9 | Confident | 71.1 | Confident | 114 Ų | 114 | 110.9 Ų | 110.9 | 50% | 0.496 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.4 | -12.4 | 173.6 | -171.9 | 172.9 | -93.9 | 162 | 0 | 112.9 | E337 R345 | E337-K341 WeakPolarHBondContact O-CB 3.28Å; E337-K341 PolarHBondContact O-N 2.93Å; E337-K341 WeakPolarHBondContact OE1-CD 3.33Å; E337-K341 VanDerWaalsContact OE1-CE 3.28Å; E337-K341 WeakPolarHBondContact OE1-CE 3.21Å; E337-K341 IonicContact OE1-NZ 2.87Å; E337-K341 PolarHBondContact OE1-NZ 3.03Å; K341-R345 WeakPolarHBondContact O-CG 3.14Å; K341-R345 PolarHBondContact O-NE 2.92Å; K341-R345 PolarHBondContact O-NH2 2.63Å |
| 342 | R | 75.8 | Confident | 70.7 | Confident | 159 Ų | 159 | 112.5 Ų | 112.5 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -90.7 | -40.9 | 169.1 | -170.3 | -173 | -51.2 | -161.7 | 4.9 | 112 | Q338 E339 A340 R345 N346 | Q338-R342 WeakPolarHBondContact O-CB 3.41Å; Q338-R342 PolarHBondContact O-N 3.23Å; E339-R342 CarbonylContact O-C 3.02Å; E339-R342 WeakPolarHBondContact O-CA 3.43Å; E339-R342 WeakPolarHBondContact O-CB 3.43Å; E339-R342 PolarHBondContact O-N 3.03Å; A340-R342 PolarHBondContact O-N 3.48Å; R342-R345 PolarHBondContact O-N 3.44Å; R342-N346 VanDerWaalsContact O-CB 3.29Å; R342-N346 WeakPolarHBondContact O-CB 3.44Å; R342-N346 PolarHBondContact O-N 2.77Å |
| 343 | K | 75.7 | Confident | 70.2 | Confident | 107 Ų | 107 | 108.7 Ų | 108.7 | 47% | 0.465 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.2 | -51.4 | 174.8 | -72.7 | 163.4 | 175.5 | 164.7 | 0 | 111.2 | E339 A340 R345 N346 N347 | E339-K343 WeakPolarHBondContact O-CG 3.32Å; E339-K343 PolarHBondContact O-N 3.41Å; E339-K343 WeakPolarHBondContact OE1-CE 3Å; E339-K343 IonicContact OE1-NZ 3.7Å; E339-K343 PolarHBondContact OE1-NZ 2.96Å; E339-K343 IonicContact OE2-NZ 2.92Å; E339-K343 PolarHBondContact OE2-NZ 3.04Å; A340-K343 WeakPolarHBondContact O-CB 3.36Å; A340-K343 PolarHBondContact O-N 2.66Å; K343-R345 PolarHBondContact O-N 3.49Å; K343-N346 WeakPolarHBondContact O-CB 3.49Å; K343-N346 PolarHBondContact O-N 2.86Å; K343-N346 VanDerWaalsContact O-N 3.15Å; K343-N347 PolarHBondContact O-N 2.94Å |
| 344 | I | 74.2 | Confident | 69.2 | Low | 49 Ų | 49 | 112 Ų | 112 | 25% | 0.251 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -54.6 | -52.9 | 176.3 | -66.7 | 159.9 | 0 | 0 | 0 | 111.2 | E327 A340 N346 N347 K348 | E327-I344 HydrophobicContact CB-CD1 4.37Å; E327-I344 HydrophobicContact CG-CD1 3.91Å; E327-I344 HydrophobicContact CG-CG1 4.32Å; E327-I344 WeakPolarHBondContact OE1-CG2 3.48Å; A340-I344 WeakPolarHBondContact O-CG1 3.48Å; A340-I344 PolarHBondContact O-N 3Å; I344-N346 VanDerWaalsContact C-N 3.3Å; I344-N346 PolarHBondContact O-N 2.97Å; I344-N347 PolarHBondContact O-N 2.96Å; I344-K348 WeakPolarHBondContact O-CB 3.29Å; I344-K348 PolarHBondContact O-N 3.15Å |
| 345 | R | 73.4 | Confident | 68.5 | Low | 161 Ų | 161 | 110.1 Ų | 110.1 | 61% | 0.608 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.9 | -34.4 | 178.5 | -77.4 | -173.9 | -67.6 | 157 | -2 | 113.5 | K341 R342 K343 W349 | K341-R345 WeakPolarHBondContact O-CG 3.14Å; K341-R345 PolarHBondContact O-NE 2.92Å; K341-R345 PolarHBondContact O-NH2 2.63Å; R342-R345 PolarHBondContact O-N 3.44Å; K343-R345 PolarHBondContact O-N 3.49Å; R345-W349 PolarHBondContact O-N 3.25Å |
| 346 | N | 74.7 | Confident | 67.1 | Low | 87 Ų | 87 | 109.2 Ų | 109.2 | 47% | 0.465 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.1 | -39.6 | 177.8 | -172 | 44.1 | 0 | 0 | 0 | 111.8 | R342 K343 I344 W349 K350 | R342-N346 VanDerWaalsContact O-CB 3.29Å; R342-N346 WeakPolarHBondContact O-CB 3.44Å; R342-N346 PolarHBondContact O-N 2.77Å; K343-N346 WeakPolarHBondContact O-CB 3.49Å; K343-N346 PolarHBondContact O-N 2.86Å; K343-N346 VanDerWaalsContact O-N 3.15Å; I344-N346 VanDerWaalsContact C-N 3.3Å; I344-N346 PolarHBondContact O-N 2.97Å; N346-W349 PolarHBondContact O-N 3.33Å; N346-K350 WeakPolarHBondContact O-CG 3.46Å; N346-K350 PolarHBondContact O-N 2.99Å |
| 347 | N | 71.8 | Confident | 65.5 | Low | 94 Ų | 94 | 114 Ų | 114 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.4 | -45 | 176.3 | -70.2 | -6.8 | 0 | 0 | 0 | 111.1 | K343 I344 W349 K350 E351 | K343-N347 PolarHBondContact O-N 2.94Å; I344-N347 PolarHBondContact O-N 2.96Å; N347-W349 PolarHBondContact O-N 3.37Å; N347-K350 WeakPolarHBondContact O-CB 3.44Å; N347-K350 PolarHBondContact O-N 3.24Å; N347-E351 PolarHBondContact O-N 3.19Å |
| 348 | K | 68.7 | Low | 63.7 | Low | 124 Ų | 124 | 115.4 Ų | 115.4 | 54% | 0.539 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.5 | -23.5 | 175 | -164.2 | 162.3 | -165.6 | 147 | 0 | 114.1 | I344 N352 | I344-K348 WeakPolarHBondContact O-CB 3.29Å; I344-K348 PolarHBondContact O-N 3.15Å; K348-N352 WeakPolarHBondContact O-CB 3.47Å; K348-N352 PolarHBondContact O-N 3.18Å; K348-N352 PolarHBondContact O-ND2 3.36Å |
| 349 | W | 64.3 | Low | 62.1 | Low | 211 Ų | 211 | 115.4 Ų | 115.4 | 80% | 0.799 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -76.3 | -40.4 | 170.9 | -166.9 | -60.8 | 0 | 0 | 0 | 111.8 | R345 N346 N347 G353 | R345-W349 PolarHBondContact O-N 3.25Å; N346-W349 PolarHBondContact O-N 3.33Å; N347-W349 PolarHBondContact O-N 3.37Å; W349-G353 PolarHBondContact O-N 3Å; W349-G353 VanDerWaalsContact O-N 3.1Å |
| 350 | K | 65.8 | Low | 60.5 | Low | 130 Ų | 130 | 118.7 Ų | 118.7 | 57% | 0.565 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.5 | -45.4 | 178.9 | -66.4 | 168.2 | -174.5 | 170.9 | 0 | 111.8 | N346 N347 G353 | N346-K350 WeakPolarHBondContact O-CG 3.46Å; N346-K350 PolarHBondContact O-N 2.99Å; N347-K350 WeakPolarHBondContact O-CB 3.44Å; N347-K350 PolarHBondContact O-N 3.24Å; K350-G353 PolarHBondContact O-N 2.86Å; K350-G353 VanDerWaalsContact O-N 3.07Å |
| 351 | E | 59.2 | Low | 58.8 | Low | 150 Ų | 150 | 124.2 Ų | 124.2 | 70% | 0.701 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -59.2 | -53.5 | 178.9 | -174.5 | -179.2 | -161.2 | 0 | 0 | 111.4 | N347 G353 | N347-E351 PolarHBondContact O-N 3.19Å; E351-G353 PolarHBondContact O-N 2.98Å; E351-G353 VanDerWaalsContact O-N 3.1Å |
| 352 | N | 58.8 | Low | 57.1 | Low | 116 Ų | 116 | 126 Ų | 126 | 62% | 0.62 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -1.6 | 175 | -66.9 | -44.1 | 0 | 0 | 0 | 114 | K348 | K348-N352 WeakPolarHBondContact O-CB 3.47Å; K348-N352 PolarHBondContact O-N 3.18Å; K348-N352 PolarHBondContact O-ND2 3.36Å |
| 353 | G | 55.9 | Low | 55.4 | Low | 58 Ų | 58 | 125 Ų | 125 | 60% | 0.598 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -9.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | W349 K350 E351 | W349-G353 PolarHBondContact O-N 3Å; W349-G353 VanDerWaalsContact O-N 3.1Å; K350-G353 PolarHBondContact O-N 2.86Å; K350-G353 VanDerWaalsContact O-N 3.07Å; E351-G353 PolarHBondContact O-N 2.98Å; E351-G353 VanDerWaalsContact O-N 3.1Å |
| 354 | C | 49.5 | Very low | 53.5 | Low | 123 Ų | 123 | 127.7 Ų | 127.7 | 83% | 0.831 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -106.2 | 24.7 | -173.8 | -152.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 355 | A | 50.7 | Low | 51.7 | Low | 83 Ų | 83 | 132.1 Ų | 132.1 | 69% | 0.686 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -111.8 | 119.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 356 | D | 46.8 | Very low | 50.1 | Low | 133 Ų | 133 | 135.2 Ų | 135.2 | 71% | 0.711 | 69% | 0.693 | S | S | * | * | trans | 50.2 | 104 | 167.2 | -173.9 | 18.6 | 0 | 0 | 0 | 118.5 | S358 | D356-S358 PolarHBondContact OD1-N 3.47Š| ||
| 357 | K | 43.2 | Very low | 48.3 | Very low | 216 Ų | 216 | 142.5 Ų | 142.5 | 94% | 0.939 | 71% | 0.713 | S | S | * | * | -147.3 | 78.9 | 128.2 | -74.2 | -146.2 | 175.4 | -172.2 | 0 | 112.6 | |||||
| 358 | S | 37.2 | Very low | 46.7 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | trans | -143.5 | 124.2 | 157.5 | 61.1 | 0 | 0 | 0 | 0 | 108.9 | D356 | D356-S358 PolarHBondContact OD1-N 3.47Š| ||
| 359 | S | 37.9 | Very low | 45 | Very low | 98 Ų | 98 | 142.6 Ų | 142.6 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | cis | -166.2 | -172.5 | 33.8 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 360 | Q | 41.3 | Very low | 43.7 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | trans | 74.4 | 139.1 | 165.3 | -65.6 | -177.5 | -0.2 | 0 | 0 | 116.9 | ||||
| 361 | Q | 37.6 | Very low | 43.3 | Very low | 127 Ų | 127 | 140 Ų | 140 | 59% | 0.593 | 75% | 0.751 | S | S | * | * | cis | -153.7 | 145.7 | 0.6 | -158.2 | 135.1 | -51.9 | 0 | 0 | 114.9 | ||||
| 362 | Q | 36.9 | Very low | 42.2 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 60.5 | 116.5 | 150.4 | -78.8 | 165.2 | 12.7 | 0 | 0 | 123.7 | ||||
| 363 | N | 39 | Very low | 41.2 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | 30.3 | 125 | 126.1 | -55.3 | -10 | 0 | 0 | 0 | 120.9 | |||||
| 364 | H | 36.1 | Very low | 40.3 | Very low | 165 Ų | 165 | 148 Ų | 148 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | -167.7 | 150.3 | 88.9 | -117.9 | -95.4 | 0 | 0 | 0 | 115.3 | |||||
| 365 | D | 37.5 | Very low | 39.8 | Very low | 142 Ų | 142 | 153.8 Ų | 153.8 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | 69.5 | 166.8 | 150.1 | -86.9 | -49.7 | 0 | 0 | 0 | 125 | ||||
| 366 | R | 40.2 | Very low | 39.5 | Very low | 226 Ų | 226 | 156.8 Ų | 156.8 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -116.5 | 158.2 | -160.6 | -66.2 | 174.3 | 163.8 | -172.7 | -4.5 | 113.7 | ||||
| 367 | R | 36.7 | Very low | 39.2 | Very low | 239 Ų | 239 | 162.1 Ų | 162.1 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | 67 | 116.1 | 151.8 | -88.4 | -177.4 | 171.8 | 169.2 | -2 | 119.3 | ||||
| 368 | A | 37.1 | Very low | 38.9 | Very low | 98 Ų | 98 | 157.9 Ų | 157.9 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | 64.5 | 106.1 | 129.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 369 | S | 33.9 | Very low | 39 | Very low | 123 Ų | 123 | 162.2 Ų | 162.2 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -157.7 | 129.4 | 130.1 | 33.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 370 | Q | 36.7 | Very low | 39.1 | Very low | 182 Ų | 182 | 166 Ų | 166 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | -100.2 | 179.3 | 152.1 | -64.9 | -170.2 | -4.6 | 0 | 0 | 107.7 | ||||
| 371 | P | 57.4 | Low | 39.1 | Very low | 104 Ų | 104 | 164.5 Ų | 164.5 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | -126.6 | -179.2 | -64 | 37.2 | -23.3 | 0 | 0 | 0 | 110.1 | |||||
| 372 | R | 34.9 | Very low | 39.4 | Very low | 211 Ų | 211 | 167.4 Ų | 167.4 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | trans | 160.9 | 128.1 | 132.1 | -92.2 | 173.1 | 171.2 | 157.9 | 0.2 | 114.7 | ||||
| 373 | H | 38.3 | Very low | 40 | Very low | 194 Ų | 194 | 166.1 Ų | 166.1 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | 60.9 | 158 | 145.9 | -47.2 | -39.5 | 0 | 0 | 0 | 118.1 | ||||
| 374 | A | 36.9 | Very low | 40 | Very low | 88 Ų | 88 | 170.6 Ų | 170.6 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | cis | -141.8 | 147.7 | 3.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 375 | R | 38.7 | Very low | 40 | Very low | 244 Ų | 244 | 169.3 Ų | 169.3 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | 2.3 | 127.9 | 153.8 | -61.4 | 172.9 | 169.7 | -173.5 | -3.9 | 119.7 | ||||
| 376 | T | 44.2 | Very low | 40 | Very low | 145 Ų | 145 | 167.1 Ų | 167.1 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | -142.2 | 144.3 | 117.5 | 1.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 377 | R | 41.3 | Very low | 40.5 | Very low | 246 Ų | 246 | 162.1 Ų | 162.1 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | trans | -117 | 133.5 | 171.3 | -77 | -177.9 | 174 | -178.6 | -2.6 | 108.4 | ||||
| 378 | V | 37.7 | Very low | 41.3 | Very low | 127 Ų | 127 | 156.1 Ų | 156.1 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -131.3 | 138.3 | 151.9 | -178.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 379 | R | 37.9 | Very low | 41.3 | Very low | 191 Ų | 191 | 157.1 Ų | 157.1 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | trans | -130.2 | 117.2 | -177.2 | 170.1 | -164.2 | -179 | -171.9 | 6.4 | 106.9 | Q381 | R379-Q381 HydrophobicContact CG-CG 4.24Š| ||
| 380 | H | 39.8 | Very low | 41.3 | Very low | 178 Ų | 178 | 154.7 Ų | 154.7 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | -110 | 141 | 165.3 | -75.6 | -77.3 | 0 | 0 | 0 | 109.9 | ||||
| 381 | Q | 42.1 | Very low | 41.3 | Very low | 136 Ų | 136 | 154.5 Ų | 154.5 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | -122.9 | 166.5 | -180 | -60 | -173.8 | 113.2 | 0 | 0 | 109 | R379 | R379-Q381 HydrophobicContact CG-CG 4.24Š| ||
| 382 | H | 44.8 | Very low | 40.2 | Very low | 188 Ų | 188 | 153.2 Ų | 153.2 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | trans | -49.9 | 154.5 | 162 | -69.8 | -88.1 | 0 | 0 | 0 | 112.8 | ||||
| 383 | P | 49.5 | Very low | 40.3 | Very low | 124 Ų | 124 | 153.7 Ų | 153.7 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | trans | -119.9 | 165.4 | 132.3 | 36.3 | -30.3 | 0 | 0 | 0 | 112.2 | ||||
| 384 | R | 37.7 | Very low | 41 | Very low | 231 Ų | 231 | 149.6 Ų | 149.6 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | -143.2 | 153.1 | 173.2 | -147.5 | -171.9 | -175.5 | 168.9 | 1.2 | 108.2 | ||||
| 385 | N | 36.4 | Very low | 41.5 | Very low | 138 Ų | 138 | 150.7 Ų | 150.7 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | 80 | 97 | 166.7 | -48.5 | -15.4 | 0 | 0 | 0 | 118.9 | ||||
| 386 | A | 37.6 | Very low | 42.1 | Very low | 97 Ų | 97 | 145.4 Ų | 145.4 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | 42.9 | 168.2 | 113.9 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 387 | P | 50.1 | Low | 41.7 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | cis | -128.8 | -136.6 | 4 | 33.8 | -7.6 | 0 | 0 | 0 | 114.1 | ||||
| 388 | P | 55 | Low | 41.4 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | -133.1 | -164.7 | -106 | 45.1 | -26.1 | 0 | 0 | 0 | 117.4 | |||||
| 389 | S | 35.6 | Very low | 41.5 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | 84.1 | 146.2 | 165.8 | -67.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 390 | A | 34.6 | Very low | 41.6 | Very low | 72 Ų | 72 | 136 Ų | 136 | 60% | 0.595 | 76% | 0.764 | S | S | * | * | cis | -167.7 | 167.5 | -15.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 391 | H | 36.5 | Very low | 41.7 | Very low | 177 Ų | 177 | 135 Ų | 135 | 82% | 0.819 | 76% | 0.764 | S | S | * | * | trans | 72.6 | 143.7 | 159.7 | -62.9 | -31.3 | 0 | 0 | 0 | 119.7 | ||||
| 392 | S | 34.6 | Very low | 42.2 | Very low | 77 Ų | 77 | 133.9 Ų | 133.9 | 54% | 0.538 | 77% | 0.768 | S | S | . | * | cis | -166.3 | 169.5 | -10.4 | -103.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 393 | Y | 36.7 | Very low | 42.6 | Very low | 221 Ų | 221 | 131.1 Ų | 131.1 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | trans | 112.5 | 141.8 | 156.3 | -64.8 | -60.6 | 0 | 0 | 0 | 117.8 | ||||
| 394 | P | 53.4 | Low | 42.3 | Very low | 108 Ų | 108 | 130 Ų | 130 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | -129.3 | 171.8 | -114 | 43.7 | -32.4 | 0 | 0 | 0 | 116.3 | |||||
| 395 | P | 47.8 | Very low | 42.4 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | trans | -89.8 | 164.3 | 169.6 | 37.8 | -36.2 | 0 | 0 | 0 | 113.4 | ||||
| 396 | P | 51.3 | Low | 42.3 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | trans | -74 | 159.9 | 156.2 | -2.3 | 21.1 | 0 | 0 | 0 | 110.7 | ||||
| 397 | G | 34.4 | Very low | 42.6 | Very low | 68 Ų | 68 | 132 Ų | 132 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | -170.6 | -173.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 398 | H | 36.2 | Very low | 41.8 | Very low | 174 Ų | 174 | 130.7 Ų | 130.7 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | trans | 65.2 | 153.1 | -179.5 | -70.9 | -53.5 | 0 | 0 | 0 | 116.6 | D400 | H398-D400 IonicContact ND1-OD2 2.63Š| ||
| 399 | T | 40.4 | Very low | 40.8 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | cis | -125.5 | 141.8 | 16.3 | 50.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 400 | D | 39.1 | Very low | 40.9 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -85 | 160.6 | 168.2 | -52.1 | -89.1 | 0 | 0 | 0 | 112.7 | H398 | H398-D400 IonicContact ND1-OD2 2.63Š| ||
| 401 | I | 42 | Very low | 41.9 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | trans | -125.8 | 131.6 | 170.9 | -62.5 | 177.6 | 0 | 0 | 0 | 108.1 | ||||
| 402 | P | 52.8 | Low | 42.1 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | -83.5 | 157.2 | -170.2 | 33.2 | -36.8 | 0 | 0 | 0 | 114.3 | ||||
| 403 | P | 52.7 | Low | 42.2 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | trans | -79.5 | 152.4 | 175.1 | 33.7 | -35.5 | 0 | 0 | 0 | 112.6 | ||||
| 404 | A | 44.2 | Very low | 42.7 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | -120.1 | 143.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 405 | Y | 38.5 | Very low | 42.5 | Very low | 208 Ų | 208 | 136.4 Ų | 136.4 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | -105.6 | 174.9 | -178 | -124.5 | -107.2 | 0 | 0 | 0 | 111.2 | ||||
| 406 | F | 34.6 | Very low | 42.5 | Very low | 190 Ų | 190 | 136.3 Ų | 136.3 | 83% | 0.833 | 78% | 0.778 | S | S | * | * | trans | 105.9 | 151.3 | 159.9 | -58.8 | -60.7 | 0 | 0 | 0 | 118.7 | ||||
| 407 | P | 43.4 | Very low | 42 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | trans | -137.2 | -177.6 | -142.3 | 44.3 | -26.3 | 0 | 0 | 0 | 117.3 | ||||
| 408 | S | 34.9 | Very low | 42.2 | Very low | 93 Ų | 93 | 143.9 Ų | 143.9 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | trans | 89 | 138.8 | 143 | 84.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 409 | H | 34.1 | Very low | 42.1 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | 69.7 | 108 | 154.1 | -56.7 | -55.3 | 0 | 0 | 0 | 123.6 | ||||
| 410 | S | 36.1 | Very low | 41.9 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | 83.1 | 173.5 | 129.5 | -124.6 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 411 | P | 56.2 | Low | 41.8 | Very low | 96 Ų | 96 | 148.1 Ų | 148.1 | 62% | 0.623 | 79% | 0.789 | S | S | * | * | -137 | 178.7 | -101 | 42.1 | -23.2 | 0 | 0 | 0 | 117.6 | |||||
| 412 | Y | 39.8 | Very low | 41.7 | Very low | 220 Ų | 220 | 148.3 Ų | 148.3 | 86% | 0.863 | 79% | 0.786 | S | S | * | * | trans | 62.3 | 127.9 | 164.9 | -75.9 | -77.5 | 0 | 0 | 0 | 120.5 | ||||
| 413 | L | 36.7 | Very low | 41.1 | Very low | 173 Ų | 173 | 152.1 Ų | 152.1 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | 176.2 | 157.1 | 128.2 | -92.3 | 162.9 | 0 | 0 | 0 | 110.8 | |||||
| 414 | P | 47.4 | Very low | 41 | Very low | 107 Ų | 107 | 151 Ų | 151 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -97 | 166.1 | -168.3 | 38.3 | -36.9 | 0 | 0 | 0 | 115.6 | ||
| 415 | P | 49.8 | Very low | 40.6 | Very low | 123 Ų | 123 | 156.2 Ų | 156.2 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 148.7 | 177.9 | 32.9 | -35.7 | 0 | 0 | 0 | 114 | ||
| 416 | P | 47.3 | Very low | 40.9 | Very low | 110 Ų | 110 | 151.9 Ų | 151.9 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 156.5 | -179.7 | 36.3 | -35.5 | 0 | 0 | 0 | 114.5 | ||
| 417 | H | 42.3 | Very low | 41.3 | Very low | 180 Ų | 180 | 148.6 Ų | 148.6 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 148 | 172.6 | -53.9 | -90.4 | 0 | 0 | 0 | 112.7 | ||
| 418 | H | 36.7 | Very low | 41.5 | Very low | 180 Ų | 180 | 148.6 Ų | 148.6 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | trans | -119.9 | 140.9 | 162.2 | -86.8 | -70.1 | 0 | 0 | 0 | 111.7 | ||||
| 419 | H | 35.9 | Very low | 42.1 | Very low | 182 Ų | 182 | 149.7 Ų | 149.7 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -95.8 | 162.5 | -176.8 | -98.9 | 51.3 | 0 | 0 | 0 | 113.2 | ||||
| 420 | H | 36 | Very low | 42.4 | Very low | 164 Ų | 164 | 150.3 Ų | 150.3 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | -63.6 | 156.6 | -176.5 | -60.9 | -5.4 | 0 | 0 | 0 | 115.1 | ||||
| 421 | H | 36.3 | Very low | 42.7 | Very low | 186 Ų | 186 | 150 Ų | 150 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -131.9 | 159.5 | 141.8 | -100 | 24.9 | 0 | 0 | 0 | 110.5 | ||||
| 422 | H | 39.7 | Very low | 42 | Very low | 161 Ų | 161 | 153.7 Ų | 153.7 | 75% | 0.745 | 81% | 0.805 | S | S | * | * | trans | -98.4 | 149.3 | -153.4 | -52.4 | -100.9 | 0 | 0 | 0 | 114.9 | ||||
| 423 | H | 41.5 | Very low | 42.3 | Very low | 192 Ų | 192 | 153.2 Ų | 153.2 | 89% | 0.889 | 80% | 0.804 | S | S | * | * | trans | -139.3 | 154.1 | 143.8 | -84.1 | -64.3 | 0 | 0 | 0 | 111.2 | ||||
| 424 | P | 49.7 | Very low | 43.6 | Very low | 106 Ų | 106 | 150.1 Ų | 150.1 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | trans | -111.5 | 142.2 | -162.1 | 38.3 | -29.3 | 0 | 0 | 0 | 114.8 | ||||
| 425 | F | 35.8 | Very low | 44.2 | Very low | 211 Ų | 211 | 150.3 Ų | 150.3 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -171.2 | 141.2 | 138.2 | -98.3 | -64.6 | 0 | 0 | 0 | 108.8 | ||||
| 426 | S | 45.4 | Very low | 44.4 | Very low | 117 Ų | 117 | 150.5 Ų | 150.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -149 | 116.6 | -175 | -52.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 427 | P | 43.3 | Very low | 44.9 | Very low | 121 Ų | 121 | 153.1 Ų | 153.1 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 172.2 | 158.3 | 35.1 | -29.6 | 0 | 0 | 0 | 110.8 | ||
| 428 | P | 46.6 | Very low | 45.8 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 155.9 | -148.2 | 32.2 | -36.9 | 0 | 0 | 0 | 116.7 | ||
| 429 | S | 46.5 | Very low | 46.7 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 130 | 173.4 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 430 | F | 41.7 | Very low | 47.3 | Very low | 188 Ų | 188 | 143.1 Ų | 143.1 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 153.7 | 155.5 | -81.4 | -91.8 | 0 | 0 | 0 | 109.9 | ||
| 431 | P | 42.9 | Very low | 47.6 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 69% | 0.688 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 138.3 | -169 | 28.4 | -35 | 0 | 0 | 0 | 112.8 | Y433 | P431-Y433 PolarHBondContact O-N 3.1Š|
| 432 | L | 40.4 | Very low | 47.9 | Very low | 173 Ų | 173 | 140.2 Ų | 140.2 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 118.4 | 165.5 | -68.3 | 168.5 | 0 | 0 | 0 | 109.1 | ||
| 433 | Y | 46.1 | Very low | 47.6 | Very low | 211 Ų | 211 | 141.6 Ų | 141.6 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 137.4 | 167.1 | -86.8 | -103 | 0 | 0 | 0 | 109.7 | P431 | P431-Y433 PolarHBondContact O-N 3.1Š|
| 434 | P | 63.9 | Low | 47.4 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 152.7 | 167.8 | 31.6 | -34.2 | 0 | 0 | 0 | 110.4 | ||
| 435 | P | 61.3 | Low | 47.4 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 154.4 | 171.1 | 28.5 | -34.9 | 0 | 0 | 0 | 111.3 | ||
| 436 | P | 53.2 | Low | 47.7 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 146.1 | -175.8 | 27.5 | -35 | 0 | 0 | 0 | 112.8 | ||
| 437 | L | 57.3 | Low | 47.5 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 144.7 | 174.5 | -70.1 | 165.2 | 0 | 0 | 0 | 111.1 | ||
| 438 | P | 60.7 | Low | 47.5 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 155.4 | 170.8 | 30.5 | -35.1 | 0 | 0 | 0 | 111.7 | ||
| 439 | P | 55.9 | Low | 47.1 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 154.2 | -179.3 | 28.7 | -35.4 | 0 | 0 | 0 | 112.9 | ||
| 440 | P | 50.1 | Low | 46.7 | Very low | 107 Ų | 107 | 137 Ų | 137 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 130 | -175.9 | 29.9 | -34.9 | 0 | 0 | 0 | 112.5 | F442 | P440-F442 HydrophobicContact CG-CE2 4.39Š|
| 441 | A | 41.2 | Very low | 46.5 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 125.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 442 | F | 41.9 | Very low | 46.2 | Very low | 187 Ų | 187 | 144.1 Ų | 144.1 | 82% | 0.82 | 79% | 0.788 | S | S | * | * | trans | -110.4 | 104.7 | 168.7 | -78.7 | -84.2 | 0 | 0 | 0 | 111.2 | P440 | P440-F442 HydrophobicContact CG-CE2 4.39Š| ||
| 443 | F | 33.6 | Very low | 46.1 | Very low | 190 Ų | 190 | 144 Ų | 144 | 83% | 0.833 | 78% | 0.783 | S | S | * | * | trans | 67.8 | 88.2 | 142.5 | -129.5 | -98.1 | 0 | 0 | 0 | 120.8 | ||||
| 444 | N | 37.7 | Very low | 45.9 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | 73.5 | 161.6 | 134.6 | -129.7 | 34.7 | 0 | 0 | 0 | 119 | ||||
| 445 | P | 49 | Very low | 44.9 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 63% | 0.63 | 79% | 0.785 | S | S | * | * | cis | -125.4 | 170 | -48.2 | 33 | -18.6 | 0 | 0 | 0 | 114.3 | ||||
| 446 | S | 43.8 | Very low | 44 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | 93.2 | 155.1 | 159.2 | -35.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 447 | F | 39.6 | Very low | 43.6 | Very low | 204 Ų | 204 | 142.8 Ų | 142.8 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | 62.4 | 89.9 | 174 | -71.5 | -80.1 | 0 | 0 | 0 | 118.5 | ||||
| 448 | S | 43.7 | Very low | 43.1 | Very low | 111 Ų | 111 | 140 Ų | 140 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -85 | 130 | 156.9 | -42.5 | 0 | 0 | 0 | 0 | 110.5 | ||
| 449 | P | 37.7 | Very low | 42.3 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 124.6 | 156.2 | 32 | -28.6 | 0 | 0 | 0 | 109.3 | ||
| 450 | S | 40.1 | Very low | 42 | Very low | 99 Ų | 99 | 144.4 Ų | 144.4 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 141.2 | 176.6 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | W452 | S450-W452 PolarHBondContact O-N 3.1Š|
| 451 | F | 36.1 | Very low | 41.9 | Very low | 203 Ų | 203 | 145.8 Ų | 145.8 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 134.2 | 165 | -82.3 | -110.6 | 0 | 0 | 0 | 110.1 | ||
| 452 | W | 37.8 | Very low | 42.6 | Very low | 241 Ų | 241 | 149.5 Ų | 149.5 | 91% | 0.913 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 133.9 | 174 | -78.2 | 76 | 0 | 0 | 0 | 111 | S450 | S450-W452 PolarHBondContact O-N 3.1Š|
| 453 | H | 37.2 | Very low | 43.9 | Very low | 170 Ų | 170 | 146 Ų | 146 | 79% | 0.787 | 78% | 0.778 | S | S | * | * | trans | -133.6 | 159 | 164.4 | -98.1 | -96.5 | 0 | 0 | 0 | 108.4 | ||||
| 454 | P | 42.2 | Very low | 45.9 | Very low | 105 Ų | 105 | 142.4 Ų | 142.4 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | trans | -83.4 | 146.9 | -147.9 | 29.7 | -36.7 | 0 | 0 | 0 | 116.5 | ||||
| 455 | N | 43.5 | Very low | 47.6 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | 38 | 83.1 | 150.5 | -72.3 | -15.7 | 0 | 0 | 0 | 118.8 | ||||
| 456 | S | 41.8 | Very low | 48.9 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -154.4 | 87 | 146.2 | 47.5 | 0 | 0 | 0 | 0 | 111.6 | P458 | S456-P458 WeakPolarHBondContact O-CD 3.44Š| ||
| 457 | V | 44.9 | Very low | 50.7 | Low | 146 Ų | 146 | 142.7 Ų | 142.7 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 120.6 | 173.9 | -76.1 | 0 | 0 | 0 | 0 | 111 | ||
| 458 | P | 47.4 | Very low | 52.5 | Low | 107 Ų | 107 | 138.3 Ų | 138.3 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 147 | 163.8 | 31.8 | -33 | 0 | 0 | 0 | 109.9 | S456 V460 | S456-P458 WeakPolarHBondContact O-CD 3.44Å; P458-V460 PolarHBondContact O-N 3.07Å |
| 459 | Y | 43.4 | Very low | 54.2 | Low | 215 Ų | 215 | 138.6 Ų | 138.6 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 125.2 | 176 | -165.1 | -93.2 | 0 | 0 | 0 | 109.9 | ||
| 460 | V | 48.9 | Very low | 56.2 | Low | 102 Ų | 102 | 138.4 Ų | 138.4 | 62% | 0.618 | 77% | 0.771 | S | S | * | * | trans | -125.6 | 120.7 | 175.6 | -177.3 | 0 | 0 | 0 | 0 | 108.2 | P458 F462 | P458-V460 PolarHBondContact O-N 3.07Å; V460-F462 PolarHBondContact O-N 3.37Å; V460-F462 VanDerWaalsContact O-N 3.16Å | ||
| 461 | D | 48.9 | Very low | 58.1 | Low | 135 Ų | 135 | 139 Ų | 139 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | -64.8 | 111.6 | 179.6 | -72.8 | -66.5 | 0 | 0 | 0 | 111.5 | ||||
| 462 | F | 54.8 | Low | 60 | Low | 181 Ų | 181 | 135.1 Ų | 135.1 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 133.1 | 158.1 | -77.7 | -89.8 | 0 | 0 | 0 | 108.9 | V460 | V460-F462 PolarHBondContact O-N 3.37Å; V460-F462 VanDerWaalsContact O-N 3.16Å |
| 463 | P | 69.9 | Low | 61.8 | Low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 143.2 | 172.3 | 28 | -34 | 0 | 0 | 0 | 109.9 | ||
| 464 | P | 75.7 | Confident | 63.8 | Low | 116 Ų | 116 | 129.4 Ų | 129.4 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 149.2 | -178.9 | 26.7 | -34.8 | 0 | 0 | 0 | 111.4 | ||
| 465 | P | 73 | Confident | 65.3 | Low | 114 Ų | 114 | 130.5 Ų | 130.5 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 151.7 | 177.5 | 27.1 | -35 | 0 | 0 | 0 | 111.3 | ||
| 466 | P | 76.8 | Confident | 66.7 | Low | 117 Ų | 117 | 127.6 Ų | 127.6 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 147.1 | 178 | 27.1 | -34.9 | 0 | 0 | 0 | 111.1 | ||
| 467 | P | 80.8 | Confident | 68.1 | Low | 114 Ų | 114 | 127.5 Ų | 127.5 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 151.2 | 178.4 | 28.1 | -35.2 | 0 | 0 | 0 | 111.3 | ||
| 468 | P | 77.4 | Confident | 69.3 | Low | 113 Ų | 113 | 126.8 Ų | 126.8 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 153 | 176.3 | 27.6 | -35.2 | 0 | 0 | 0 | 111.5 | ||
| 469 | P | 79.1 | Confident | 69.9 | Low | 117 Ų | 117 | 134.4 Ų | 134.4 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 147.8 | 177.3 | 27 | -34.9 | 0 | 0 | 0 | 111.3 | ||
| 470 | P | 81 | Confident | 71.2 | Confident | 118 Ų | 118 | 130.4 Ų | 130.4 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 148.5 | 178 | 28.3 | -35 | 0 | 0 | 0 | 111.1 | ||
| 471 | P | 78.8 | Confident | 72.4 | Confident | 113 Ų | 113 | 131.8 Ų | 131.8 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 150.9 | 176.3 | 27.6 | -35 | 0 | 0 | 0 | 111.2 | ||
| 472 | P | 76.7 | Confident | 73.7 | Confident | 121 Ų | 121 | 131.7 Ų | 131.7 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 141.3 | 177.1 | 26 | -34.2 | 0 | 0 | 0 | 110.9 | ||
| 473 | H | 76.7 | Confident | 74.8 | Confident | 174 Ų | 174 | 128.8 Ų | 128.8 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 141.8 | 177.6 | 24.5 | -95.9 | 0 | 0 | 0 | 110.9 | ||
| 474 | P | 77.4 | Confident | 75.1 | Confident | 116 Ų | 116 | 129.8 Ų | 129.8 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 146.4 | 178.8 | 28 | -35 | 0 | 0 | 0 | 110.7 | S476 | P474-S476 PolarHBondContact O-N 3.33Š|
| 475 | P | 73.6 | Confident | 75.1 | Confident | 128 Ų | 128 | 130.7 Ų | 130.7 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62 | 130.1 | 178.4 | 25.8 | -33.8 | 0 | 0 | 0 | 110.5 | ||
| 476 | S | 73.9 | Confident | 75.2 | Confident | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 139.5 | 173.1 | 49 | 0 | 0 | 0 | 0 | 110.5 | P474 | P474-S476 PolarHBondContact O-N 3.33Š|
| 477 | P | 70.4 | Confident | 75.1 | Confident | 112 Ų | 112 | 133.1 Ų | 133.1 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 150.4 | -179.2 | 27.6 | -35.2 | 0 | 0 | 0 | 111.8 | ||
| 478 | P | 70.2 | Confident | 74.6 | Confident | 130 Ų | 130 | 134.7 Ų | 134.7 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 156.3 | 173.8 | 29.3 | -35.2 | 0 | 0 | 0 | 111.7 | ||
| 479 | H | 60.2 | Low | 74.4 | Confident | 267 Ų | 267 | 136.6 Ų | 136.6 | 100% | 1.236 | 82% | 0.817 | S | S | * | * | trans | -83 | 0 | -174.6 | -111 | -58.5 | 0 | 0 | 0 | 114.2 |
Retrieved 479 of 479 residues in 132.4 ms
(Link to these results)