| 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 | 51.5 | Low | 42.4 | Very low | 232 Ų | 232 | 151.8 Ų | 151.8 | 100% | 1.143 | 85% | 0.848 | S | S | * | * | 0 | 137.6 | 0 | -78.4 | 53.3 | 164.2 | 0 | 0 | 107.1 | |||||
| 2 | D | 36.8 | Very low | 41.7 | Very low | 166 Ų | 166 | 153.3 Ų | 153.3 | 89% | 0.888 | 85% | 0.853 | S | S | * | * | trans | -148.4 | 120.6 | 159.3 | -145.6 | -42.1 | 0 | 0 | 0 | 108.6 | ||||
| 3 | V | 42.8 | Very low | 41.5 | Very low | 117 Ų | 117 | 149.8 Ų | 149.8 | 71% | 0.709 | 85% | 0.845 | S | S | * | * | trans | -151 | 99.4 | -164.3 | -174.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 4 | R | 46.4 | Very low | 41.2 | Very low | 232 Ų | 232 | 150.7 Ų | 150.7 | 88% | 0.875 | 84% | 0.844 | S | S | * | * | trans | -174.7 | 107.1 | 157.6 | -101.2 | 151.6 | -130.3 | -147.5 | 0.9 | 109.8 | ||||
| 5 | F | 42.2 | Very low | 41.3 | Very low | 193 Ų | 193 | 149 Ų | 149 | 85% | 0.846 | 84% | 0.842 | S | S | * | * | 173.2 | 104.9 | 121.8 | -103.8 | -73.3 | 0 | 0 | 0 | 111 | |||||
| 6 | Y | 45 | Very low | 40.7 | Very low | 221 Ų | 221 | 144.6 Ų | 144.6 | 87% | 0.867 | 84% | 0.84 | S | S | * | * | trans | -142.4 | 125.6 | 155.7 | -87.2 | -77.4 | 0 | 0 | 0 | 106.7 | ||||
| 7 | P | 51.1 | Low | 40.4 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | trans | -79.7 | 128.2 | 169.4 | 31.1 | -30.9 | 0 | 0 | 0 | 109.9 | A9 | P7-A9 PolarHBondContact O-N 3.16Š| ||
| 8 | T | 38.3 | Very low | 40.7 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 86% | 0.859 | 83% | 0.83 | S | S | * | * | trans | -75.2 | 118 | 178.5 | -52.6 | 0 | 0 | 0 | 0 | 110.8 | G10 | T8-G10 PolarHBondContact O-N 3.21Š| ||
| 9 | A | 38.3 | Very low | 40.5 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -82.3 | 87.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | P7 | P7-A9 PolarHBondContact O-N 3.16Š| ||
| 10 | G | 37.3 | Very low | 39.9 | Very low | 73 Ų | 73 | 140.9 Ų | 140.9 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | -74.1 | 129.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | T8 | T8-G10 PolarHBondContact O-N 3.21Š| ||
| 11 | G | 36.5 | Very low | 39.8 | Very low | 73 Ų | 73 | 141.1 Ų | 141.1 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | trans | -86.7 | 161.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 12 | N | 33.6 | Very low | 38.9 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -144.9 | 160.2 | 153.9 | -111.7 | -7.1 | 0 | 0 | 0 | 108.2 | ||||
| 13 | S | 39.5 | Very low | 38.4 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -140.4 | -170.1 | -175.3 | -56.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 14 | I | 37.4 | Very low | 38.1 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | 86.1 | 132.6 | 173.9 | -50.3 | 153.8 | 0 | 0 | 0 | 113.1 | ||||
| 15 | P | 42.3 | Very low | 37.5 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | cis | -137.9 | -177.6 | -32.7 | 39.1 | -20.9 | 0 | 0 | 0 | 113.5 | ||||
| 16 | G | 32.8 | Very low | 36.9 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 127.5 | 85.4 | 155 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 17 | D | 35.8 | Very low | 36.3 | Very low | 153 Ų | 153 | 127 Ų | 127 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -70.8 | 167.8 | 162.3 | -135.5 | -121.7 | 0 | 0 | 0 | 109.6 | ||||
| 18 | P | 45.6 | Very low | 35.1 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | cis | -153.7 | 174.6 | 36.5 | 45.7 | -24.1 | 0 | 0 | 0 | 122.6 | ||||
| 19 | S | 37 | Very low | 34.8 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | 98.3 | 97.5 | 141 | -69.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 20 | N | 28.6 | Very low | 34.5 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | 98.4 | 150.4 | 116.2 | -144.1 | -106 | 0 | 0 | 0 | 120.8 | |||||
| 21 | L | 37.9 | Very low | 34.2 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | 62.1 | 99 | -178.6 | -51.2 | -179.1 | 0 | 0 | 0 | 114.7 | ||||
| 22 | D | 30.8 | Very low | 34.1 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 68% | 0.679 | 78% | 0.783 | S | S | * | * | 59.5 | 113.8 | 64 | -157.3 | -39.6 | 0 | 0 | 0 | 114.1 | A24 | D22-A24 PolarHBondContact OD1-N 3.12Š| |||
| 23 | F | 27.5 | Very low | 33.8 | Very low | 196 Ų | 196 | 139.5 Ų | 139.5 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -147.6 | 69.5 | 148.6 | -129.6 | -78.4 | 0 | 0 | 0 | 111.7 | H25 | F23-H25 PolarHBondContact O-N 3.19Š| ||
| 24 | A | 36.1 | Very low | 33.6 | Very low | 83 Ų | 83 | 141.2 Ų | 141.2 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | trans | -86.8 | 72.1 | 171 | 0 | 0 | 0 | 0 | 0 | 111.7 | D22 | D22-A24 PolarHBondContact OD1-N 3.12Š| ||
| 25 | H | 34.5 | Very low | 33.3 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -156.1 | 152.6 | 168.2 | -119.5 | -148.2 | 0 | 0 | 0 | 111.6 | F23 | F23-H25 PolarHBondContact O-N 3.19Š| ||
| 26 | C | 28.4 | Very low | 32.5 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 61.6 | 108.5 | -161.2 | -59 | 0 | 0 | 0 | 0 | 112 | ||
| 27 | L | 33.8 | Very low | 32.3 | Very low | 177 Ų | 177 | 145 Ų | 145 | 93% | 0.927 | 75% | 0.749 | S | S | * | * | cis | -127.8 | 110.3 | 28.6 | -63.9 | 167 | 0 | 0 | 0 | 112.1 | ||||
| 28 | G | 25.6 | Very low | 31.9 | Very low | 60 Ų | 60 | 144.8 Ų | 144.8 | 62% | 0.619 | 75% | 0.747 | S | S | * | * | trans | -91.5 | 163.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 29 | Y | 31.8 | Very low | 31.5 | Very low | 223 Ų | 223 | 146.3 Ų | 146.3 | 88% | 0.875 | 75% | 0.75 | S | S | * | * | trans | 65.3 | 116.8 | -171.9 | -56.4 | -90.8 | 0 | 0 | 0 | 113.4 | ||||
| 30 | Y | 31.8 | Very low | 31.2 | Very low | 229 Ų | 229 | 149.2 Ų | 149.2 | 90% | 0.898 | 76% | 0.757 | S | S | * | * | cis | -122.3 | 134.6 | 17.5 | -95.5 | -108.5 | 0 | 0 | 0 | 113.5 | ||||
| 31 | N | 31.3 | Very low | 31.3 | Very low | 139 Ų | 139 | 151.6 Ų | 151.6 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | trans | -152.1 | 116.2 | 162.7 | -172.2 | -42.1 | 0 | 0 | 0 | 110.8 | ||||
| 32 | F | 33 | Very low | 31.1 | Very low | 168 Ų | 168 | 151.4 Ų | 151.4 | 74% | 0.737 | 75% | 0.754 | S | S | * | * | trans | 179.3 | 141.6 | 156.2 | -115.6 | -137.1 | 0 | 0 | 0 | 105.2 | ||||
| 33 | N | 28.6 | Very low | 31 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 65% | 0.652 | 75% | 0.752 | S | S | * | * | cis | -137.1 | 142.4 | 14.9 | -107.7 | -35.2 | 0 | 0 | 0 | 106.8 | ||||
| 34 | K | 35.7 | Very low | 31.2 | Very low | 142 Ų | 142 | 150.2 Ų | 150.2 | 62% | 0.617 | 75% | 0.753 | S | S | * | * | 53.5 | 130.7 | 53.6 | -70.5 | -162.5 | 178.9 | -175.5 | 0 | 113.4 | |||||
| 35 | F | 29.9 | Very low | 31.3 | Very low | 174 Ų | 174 | 150.4 Ų | 150.4 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | cis | -125.8 | -176.5 | 3.9 | -74.6 | -96.8 | 0 | 0 | 0 | 108.7 | ||||
| 36 | Q | 26.9 | Very low | 31.1 | Very low | 162 Ų | 162 | 151.5 Ų | 151.5 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | cis | -156.8 | 175.1 | 2.3 | -135.2 | 174.1 | -10.4 | 0 | 0 | 105.9 | ||||
| 37 | N | 27.5 | Very low | 31.3 | Very low | 111 Ų | 111 | 149.4 Ų | 149.4 | 59% | 0.594 | 75% | 0.751 | S | S | * | * | cis | -153.2 | 154.1 | -1.3 | -169.2 | 23.1 | 0 | 0 | 0 | 109 | ||||
| 38 | N | 28.6 | Very low | 31.2 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | trans | 179.2 | 126.3 | 140.3 | -108.2 | -72.9 | 0 | 0 | 0 | 112.3 | ||||
| 39 | N | 36.3 | Very low | 31.5 | Very low | 140 Ų | 140 | 149.2 Ų | 149.2 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | trans | -133.3 | 151.2 | 150.6 | -65.3 | -83.9 | 0 | 0 | 0 | 103.9 | ||||
| 40 | N | 30.4 | Very low | 31.6 | Very low | 161 Ų | 161 | 143.3 Ų | 143.3 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | cis | -156.6 | -167.9 | 34.7 | -149.8 | -28 | 0 | 0 | 0 | 111.2 | ||||
| 41 | Y | 31.1 | Very low | 31.8 | Very low | 194 Ų | 194 | 140.1 Ų | 140.1 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | trans | -116.6 | 166 | -171.5 | -168.2 | -125.7 | 0 | 0 | 0 | 113.6 | ||||
| 42 | M | 33.9 | Very low | 32.2 | Very low | 142 Ų | 142 | 141.2 Ų | 141.2 | 70% | 0.7 | 75% | 0.753 | S | S | * | * | trans | 68.5 | 156.3 | -177.6 | -55.6 | -61.1 | -161.9 | 0 | 0 | 115.4 | ||||
| 43 | N | 29.4 | Very low | 32.2 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 65% | 0.652 | 76% | 0.755 | S | S | * | * | cis | -153.1 | 168.9 | 14.9 | -158.8 | -80.1 | 0 | 0 | 0 | 112.5 | ||||
| 44 | M | 30.5 | Very low | 32.6 | Very low | 175 Ų | 175 | 137 Ų | 137 | 86% | 0.862 | 77% | 0.766 | S | S | * | * | trans | 72.8 | 164.9 | 158.4 | -115.2 | 171 | -74.2 | 0 | 0 | 119.9 | ||||
| 45 | A | 37.4 | Very low | 32.4 | Very low | 87 Ų | 87 | 133.4 Ų | 133.4 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | trans | -135.2 | -157.7 | -164.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 46 | E | 31.2 | Very low | 32.5 | Very low | 186 Ų | 186 | 133.2 Ų | 133.2 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | 85.4 | 108.5 | 168.2 | -55.2 | -156.6 | 94.3 | 0 | 0 | 119.8 | ||||
| 47 | A | 33.2 | Very low | 33 | Very low | 77 Ų | 77 | 130.7 Ų | 130.7 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | 80.5 | 142.7 | 122.6 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 48 | N | 30.2 | Very low | 33.1 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | 69.7 | 139.5 | 173.1 | -49.6 | -77.5 | 0 | 0 | 0 | 115.9 | ||||
| 49 | G | 32.4 | Very low | 33.5 | Very low | 68 Ų | 68 | 136.9 Ų | 136.9 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | cis | 131.4 | 144.4 | -2.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 50 | A | 33.9 | Very low | 33.5 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | 69.5 | 146.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 51 | L | 37.1 | Very low | 34.2 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | cis | -168.9 | -168.1 | -27.3 | -124.5 | 164.9 | 0 | 0 | 0 | 109.2 | ||||
| 52 | L | 39.3 | Very low | 34.9 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | 85.8 | 133.6 | 173.1 | -52.3 | 179.1 | 0 | 0 | 0 | 115.8 | ||||
| 53 | A | 32.6 | Very low | 35.2 | Very low | 94 Ų | 94 | 132 Ų | 132 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | cis | -155.6 | 173.3 | -9.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 54 | A | 36.6 | Very low | 35.5 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 88% | 0.884 | 80% | 0.8 | S | S | * | * | trans | -57.1 | 162.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 55 | G | 32.3 | Very low | 36.4 | Very low | 67 Ų | 67 | 128.7 Ų | 128.7 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | cis | 142.1 | 175.8 | -0.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 56 | D | 31.6 | Very low | 36.9 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -161.2 | 162.4 | 164 | -125.3 | -41.8 | 0 | 0 | 0 | 112.8 | ||||
| 57 | T | 36.5 | Very low | 37.6 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | trans | -106.6 | 137.3 | -163.8 | -60.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 58 | F | 31.5 | Very low | 38.3 | Very low | 210 Ų | 210 | 136.7 Ų | 136.7 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -139.7 | 136.5 | 159.3 | -98.8 | -85.9 | 0 | 0 | 0 | 112.3 | ||||
| 59 | H | 35.8 | Very low | 39.1 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -85.6 | 144 | 171.9 | -87.4 | -80.9 | 0 | 0 | 0 | 111.4 | ||||
| 60 | T | 37.2 | Very low | 39.5 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -127.8 | 137.8 | 159.6 | 49.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 61 | P | 44.2 | Very low | 40 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | -73.2 | 155.1 | -177.3 | 31.1 | -35.5 | 0 | 0 | 0 | 112.1 | ||||
| 62 | S | 45.7 | Very low | 40.4 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -84.5 | 115.2 | 175.1 | -171.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 63 | L | 40.6 | Very low | 40.4 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -113.8 | 148.2 | 136.9 | -83.4 | 80.3 | 0 | 0 | 0 | 105.4 | ||||
| 64 | G | 36.3 | Very low | 41 | Very low | 64 Ų | 64 | 141.2 Ų | 141.2 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | cis | 151.3 | 100.3 | 9.1 | 0 | 0 | 0 | 0 | 0 | 105.6 | E66 | G64-E66 PolarHBondContact O-N 3.21Š| ||
| 65 | D | 47.8 | Very low | 41.4 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | -84.6 | 102.5 | -170 | -153.9 | -67.6 | 0 | 0 | 0 | 108.9 | ||||
| 66 | E | 48.7 | Very low | 41.9 | Very low | 170 Ų | 170 | 143.7 Ų | 143.7 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -128.3 | 98.4 | 171 | -74.8 | -164.5 | 116.6 | 0 | 0 | 110.3 | G64 | G64-E66 PolarHBondContact O-N 3.21Š| ||
| 67 | E | 46 | Very low | 42.5 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -45 | 130.2 | 161.7 | 176.9 | 171.3 | -131.4 | 0 | 0 | 112.5 | E69 | E67-E69 HydrophobicContact CG-CG 4.49Š| ||
| 68 | F | 47 | Very low | 42.6 | Very low | 182 Ų | 182 | 144.9 Ų | 144.9 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | -126.6 | 100.4 | 167.6 | -91.1 | -87.3 | 0 | 0 | 0 | 109.8 | ||||
| 69 | E | 47 | Very low | 42.8 | Very low | 169 Ų | 169 | 141 Ų | 141 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -62.4 | 142.7 | 172.6 | -63.4 | -175.5 | 99.3 | 0 | 0 | 111.5 | E67 P71 | E67-E69 HydrophobicContact CG-CG 4.49Å; E69-P71 WeakPolarHBondContact O-CD 3.44Å | ||
| 70 | I | 41.9 | Very low | 42.6 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | trans | -98.4 | 113 | 175.2 | -56.2 | 175.8 | 0 | 0 | 0 | 108.6 | ||||
| 71 | P | 44.3 | Very low | 42.6 | Very low | 105 Ų | 105 | 141 Ų | 141 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 142.8 | 179.5 | 28.4 | -34.2 | 0 | 0 | 0 | 111.9 | E69 | E69-P71 WeakPolarHBondContact O-CD 3.44Š|
| 72 | P | 45.3 | Very low | 41.9 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 142.6 | -176.8 | 29.7 | -35.1 | 0 | 0 | 0 | 113.2 | ||
| 73 | I | 39.9 | Very low | 41.7 | Very low | 168 Ų | 168 | 143.3 Ų | 143.3 | 86% | 0.862 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 128.8 | -176.2 | -50.9 | 171.8 | 0 | 0 | 0 | 110.4 | ||
| 74 | T | 44 | Very low | 41.2 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | -119.6 | 131.2 | 172.6 | -56.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 75 | P | 45.6 | Very low | 42 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 69% | 0.688 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 154.8 | -179.3 | 32.7 | -35.5 | 0 | 0 | 0 | 113 | ||
| 76 | P | 42.8 | Very low | 41.5 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 148.9 | 179.4 | 33.4 | -35.3 | 0 | 0 | 0 | 113.2 | ||
| 77 | P | 45 | Very low | 40.9 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 167 | 169.8 | 36.2 | -34.9 | 0 | 0 | 0 | 112.8 | ||
| 78 | E | 37.6 | Very low | 40.3 | Very low | 177 Ų | 177 | 138 Ų | 138 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -101.2 | 178.5 | 178.2 | -61.8 | -167.2 | 105.7 | 0 | 0 | 113.6 | ||||
| 79 | T | 35.4 | Very low | 39.7 | Very low | 129 Ų | 129 | 134 Ų | 134 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | 93.8 | 128 | 154.5 | 64.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 80 | E | 33.2 | Very low | 39.9 | Very low | 190 Ų | 190 | 132.1 Ų | 132.1 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | 78.7 | 165.8 | 141.7 | -86.7 | -161 | 82.3 | 0 | 0 | 124.3 | ||||
| 81 | S | 36.6 | Very low | 39.6 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -118.9 | 150.3 | -157.4 | -49.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 82 | S | 29.9 | Very low | 40.2 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -159.3 | -179.7 | 152.5 | -154.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 83 | L | 40.1 | Very low | 39.4 | Very low | 170 Ų | 170 | 132.2 Ų | 132.2 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | -101.2 | 167 | -164.1 | -63.1 | 161 | 0 | 0 | 0 | 113.7 | ||||
| 84 | G | 31.5 | Very low | 39.4 | Very low | 72 Ų | 72 | 130.8 Ų | 130.8 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | -82.4 | -143 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 85 | P | 52.7 | Low | 39.6 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | cis | -140.4 | -153.5 | 8.2 | 42 | -20.5 | 0 | 0 | 0 | 114.6 | ||||
| 86 | E | 37.1 | Very low | 38.8 | Very low | 174 Ų | 174 | 132.9 Ų | 132.9 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | 72.2 | 146.4 | 163 | -70.4 | -90.6 | 66.5 | 0 | 0 | 117.4 | ||||
| 87 | V | 36.3 | Very low | 39.3 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 65% | 0.648 | 78% | 0.776 | S | S | * | * | cis | -154 | 150.1 | -6.2 | 67.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 88 | N | 33.3 | Very low | 39.5 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | 179.9 | 168.7 | 70.9 | -148.3 | -20.1 | 0 | 0 | 0 | 111.4 | |||||
| 89 | S | 34.9 | Very low | 39.3 | Very low | 97 Ų | 97 | 127 Ų | 127 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | trans | -141.8 | 175.4 | 179.2 | -62.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 90 | P | 50 | Low | 39.3 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 84% | 0.844 | 77% | 0.765 | S | S | * | * | -145.8 | 168.8 | 110.7 | 34.4 | -16.5 | 0 | 0 | 0 | 117.1 | |||||
| 91 | F | 36.1 | Very low | 39.4 | Very low | 180 Ų | 180 | 127.8 Ų | 127.8 | 79% | 0.789 | 76% | 0.759 | S | S | * | * | trans | -96 | -168 | -176.9 | -115 | -126.4 | 0 | 0 | 0 | 111.7 | ||||
| 92 | P | 56.3 | Low | 39.1 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | cis | -134.6 | -169.5 | 20.9 | 44.1 | -23 | 0 | 0 | 0 | 115 | ||||
| 93 | A | 29 | Very low | 39.4 | Very low | 87 Ų | 87 | 131.4 Ų | 131.4 | 72% | 0.719 | 75% | 0.754 | S | S | * | * | cis | -152.4 | 177.4 | 18.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 94 | M | 39.8 | Very low | 39.3 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | trans | -131.2 | 170.2 | -175.1 | -92.9 | -77.9 | -71.9 | 0 | 0 | 111.8 | E96 | M94-E96 HydrophobicContact CE-CB 4.22Å; M94-E96 HydrophobicContact CE-CG 4.15Å | ||
| 95 | P | 47.7 | Very low | 39.5 | Very low | 125 Ų | 125 | 134 Ų | 134 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | -144.2 | 159.6 | 106.9 | 36.4 | -20.7 | 0 | 0 | 0 | 117.5 | |||||
| 96 | E | 30.2 | Very low | 38.9 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | trans | -112.1 | -170 | 171.2 | -125.1 | -150 | -88.8 | 0 | 0 | 109.1 | M94 | M94-E96 HydrophobicContact CE-CB 4.22Å; M94-E96 HydrophobicContact CE-CG 4.15Å | ||
| 97 | P | 53.5 | Low | 38.9 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 69% | 0.688 | 76% | 0.758 | S | S | * | * | cis | -127.8 | -152.7 | 4.6 | 35.4 | -10 | 0 | 0 | 0 | 111.4 | ||||
| 98 | P | 48.7 | Very low | 38.8 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | cis | -133.6 | 141.1 | -6.1 | 37.3 | -17.2 | 0 | 0 | 0 | 119.3 | ||||
| 99 | A | 33.9 | Very low | 38.7 | Very low | 86 Ų | 86 | 138 Ų | 138 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | 39.3 | 131.6 | 135.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 100 | Q | 34.3 | Very low | 39.1 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | -164 | 146.2 | 68.8 | -88 | -177 | 1.1 | 0 | 0 | 115.8 | |||||
| 101 | H | 34.8 | Very low | 38.9 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | 60.2 | 109.3 | 152.2 | -63.8 | -56.2 | 0 | 0 | 0 | 124.5 | ||||
| 102 | R | 31.9 | Very low | 38.9 | Very low | 255 Ų | 255 | 139 Ų | 139 | 96% | 0.962 | 77% | 0.772 | S | S | * | * | trans | 66.4 | 103.4 | 132.7 | -167.7 | -152.3 | -84.5 | -155.5 | -2.6 | 120.2 | ||||
| 103 | G | 34.5 | Very low | 37.8 | Very low | 56 Ų | 56 | 139.1 Ų | 139.1 | 58% | 0.577 | 78% | 0.775 | S | S | * | * | trans | 164 | 137.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 104 | P | 39.4 | Very low | 38.3 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 94% | 0.935 | 78% | 0.784 | S | S | * | * | trans | -67.1 | 151.4 | 170.8 | -20.4 | 33.9 | 0 | 0 | 0 | 112.8 | ||||
| 105 | I | 35.8 | Very low | 38.2 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -101.4 | 137.7 | -162.6 | -62.6 | 164 | 0 | 0 | 0 | 112 | P107 | I105-P107 HydrophobicContact CG2-CG 4.36Š| ||
| 106 | I | 39.4 | Very low | 37.9 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | trans | -121.2 | 116.4 | 162.1 | -58.9 | 174.5 | 0 | 0 | 0 | 107.5 | ||||
| 107 | P | 38.1 | Very low | 38.4 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -72.8 | 143.7 | 175.1 | -19 | 33.5 | 0 | 0 | 0 | 112.9 | I105 | I105-P107 HydrophobicContact CG2-CG 4.36Š| ||
| 108 | Q | 32.6 | Very low | 37.4 | Very low | 167 Ų | 167 | 145 Ų | 145 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | trans | -114.9 | 164.9 | -178.4 | 179.5 | -178.6 | 9 | 0 | 0 | 110.6 | ||||
| 109 | F | 31.8 | Very low | 36.7 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | 126.5 | 157.5 | 157.1 | -73.1 | -63.5 | 0 | 0 | 0 | 113.7 | ||||
| 110 | P | 42.6 | Very low | 37 | Very low | 105 Ų | 105 | 148.9 Ų | 148.9 | 68% | 0.682 | 80% | 0.802 | S | S | * | * | -120.6 | 170.1 | -57.6 | 26.9 | -9 | 0 | 0 | 0 | 111.6 | |||||
| 111 | P | 47.4 | Very low | 37.1 | Very low | 126 Ų | 126 | 148.4 Ų | 148.4 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -77 | 139.7 | 176.7 | 31.7 | -34.5 | 0 | 0 | 0 | 112.5 | ||||
| 112 | Q | 35.6 | Very low | 36.9 | Very low | 197 Ų | 197 | 144.9 Ų | 144.9 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -132.8 | 145.6 | 154.1 | -74.6 | -151.5 | -4.8 | 0 | 0 | 111 | ||||
| 113 | S | 33.2 | Very low | 37 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -77.1 | 142.8 | -170.5 | -41.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 114 | L | 40.2 | Very low | 36.9 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | -146.7 | 115.1 | 145.5 | -112.3 | 164.6 | 0 | 0 | 0 | 109.3 | ||||
| 115 | E | 37.3 | Very low | 36.7 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -85.2 | 131.4 | -174.4 | -176.2 | 177.8 | 97.8 | 0 | 0 | 110.4 | ||||
| 116 | L | 40 | Very low | 37 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -98.5 | 124.1 | 169.8 | -68.5 | 176.3 | 0 | 0 | 0 | 109 | S118 | L116-S118 PolarHBondContact O-N 3.2Å; L116-S118 VanDerWaalsContact O-N 3.11Å | ||
| 117 | P | 41.9 | Very low | 36.9 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -69 | 111.6 | -179.3 | 27 | -33.5 | 0 | 0 | 0 | 110.7 | I119 | P117-I119 PolarHBondContact O-N 3.46Š| ||
| 118 | S | 32.4 | Very low | 36.6 | Very low | 109 Ų | 109 | 147 Ų | 147 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -72.2 | 117 | 173.5 | -67.1 | 0 | 0 | 0 | 0 | 110.2 | L116 T120 | L116-S118 PolarHBondContact O-N 3.2Å; L116-S118 VanDerWaalsContact O-N 3.11Å; S118-T120 PolarHBondContact O-N 2.9Å | ||
| 119 | I | 33.1 | Very low | 36.4 | Very low | 166 Ų | 166 | 147.3 Ų | 147.3 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -75.7 | 94.2 | 174.1 | -59.5 | 179.5 | 0 | 0 | 0 | 108.8 | P117 I121 | P117-I119 PolarHBondContact O-N 3.46Å; I119-I121 PolarHBondContact O-N 3.17Å | ||
| 120 | T | 39.7 | Very low | 36.6 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | trans | -66.9 | 125.2 | 176.6 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | S118 S122 | S118-T120 PolarHBondContact O-N 2.9Å; T120-S122 PolarHBondContact O-N 3.26Å; T120-S122 VanDerWaalsContact O-N 3.16Å | ||
| 121 | I | 37 | Very low | 36.1 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | trans | -76.1 | 98.9 | 168.4 | -74.2 | 173.5 | 0 | 0 | 0 | 108.7 | I119 R123 | I119-I121 PolarHBondContact O-N 3.17Å; I121-R123 PolarHBondContact O-N 3.04Å | ||
| 122 | S | 31.3 | Very low | 35.4 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | trans | -77.2 | 106.5 | 177.4 | -65.9 | 0 | 0 | 0 | 0 | 111.6 | T120 N124 | T120-S122 PolarHBondContact O-N 3.26Å; T120-S122 VanDerWaalsContact O-N 3.16Å; S122-N124 PolarHBondContact O-N 3.41Å | ||
| 123 | R | 34.3 | Very low | 35.3 | Very low | 211 Ų | 211 | 139 Ų | 139 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | -86.6 | 96.7 | 167.3 | 178 | -163.6 | -68.6 | -150.5 | -1.8 | 109.2 | I121 M125 | I121-R123 PolarHBondContact O-N 3.04Å; R123-M125 HydrophobicContact CG-CE 4.3Å | ||
| 124 | N | 30.9 | Very low | 35.3 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | -91.5 | 115.2 | 172.9 | -78.7 | 81.4 | 0 | 0 | 0 | 111.4 | S122 | S122-N124 PolarHBondContact O-N 3.41Š| ||
| 125 | M | 36.4 | Very low | 35 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | trans | -146.3 | 141 | 165.7 | -66.6 | -169 | -66.3 | 0 | 0 | 109.2 | R123 | R123-M125 HydrophobicContact CG-CE 4.3Š| ||
| 126 | M | 40.8 | Very low | 34.8 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 80% | 0.803 | 76% | 0.759 | S | S | * | * | trans | 64.9 | 127.8 | 173.7 | -95.4 | 64.6 | -169.8 | 0 | 0 | 119.6 | ||||
| 127 | D | 39.1 | Very low | 34.4 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 67% | 0.674 | 77% | 0.765 | S | S | * | * | trans | 58.7 | 164.8 | 140.2 | -64.6 | -48.1 | 0 | 0 | 0 | 121.7 | ||||
| 128 | Q | 30.3 | Very low | 33.9 | Very low | 143 Ų | 143 | 139.4 Ų | 139.4 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | cis | -160.6 | 157.3 | -47.3 | -155.8 | 169.2 | 143.4 | 0 | 0 | 107.1 | ||||
| 129 | E | 30.2 | Very low | 34.1 | Very low | 172 Ų | 172 | 140 Ų | 140 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | 48.9 | 159.5 | 158.7 | 72.2 | -151.6 | 108.4 | 0 | 0 | 123 | ||||
| 130 | G | 34.5 | Very low | 34 | Very low | 68 Ų | 68 | 139.1 Ų | 139.1 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | 85.2 | 90.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 131 | V | 32.8 | Very low | 33.7 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | 75.5 | 108.4 | 59.1 | -175.4 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 132 | S | 32.4 | Very low | 33.5 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | 82.4 | 105.2 | 148.1 | -69.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 133 | V | 34 | Very low | 34.4 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | 69.2 | 123.5 | 109.8 | 170.9 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 134 | N | 32.6 | Very low | 34.3 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | 118.5 | 156.7 | 138.6 | -119.6 | -49.9 | 0 | 0 | 0 | 121 | ||||
| 135 | N | 34.3 | Very low | 34.7 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -66.2 | 166.9 | -180 | -58.7 | -20.6 | 0 | 0 | 0 | 113.8 | ||||
| 136 | G | 32.5 | Very low | 34.6 | Very low | 78 Ų | 78 | 134.6 Ų | 134.6 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 163.2 | 94.4 | 151.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 137 | Q | 31 | Very low | 34.1 | Very low | 198 Ų | 198 | 136.7 Ų | 136.7 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | -84.4 | 148.9 | 173.5 | -65.9 | 175.9 | -57.8 | 0 | 0 | 112.3 | ||||
| 138 | H | 33.1 | Very low | 33.6 | Very low | 179 Ų | 179 | 137.3 Ų | 137.3 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | 95.5 | 164.1 | 140.2 | -149.9 | -139.9 | 0 | 0 | 0 | 120.6 | ||||
| 139 | V | 36 | Very low | 33.7 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 67.9 | 89.9 | 174.7 | -60.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 140 | N | 30.1 | Very low | 34.6 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -33.7 | 153.5 | 132.4 | -147.4 | 7 | 0 | 0 | 0 | 112.6 | ||||
| 141 | V | 34.2 | Very low | 34.2 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | cis | -156.3 | 128.2 | 37.1 | 179 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 142 | G | 33.8 | Very low | 34.3 | Very low | 69 Ų | 69 | 140.2 Ų | 140.2 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 46.9 | -167.7 | 141.1 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 143 | P | 49.6 | Very low | 35.2 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | cis | -127.5 | 168.7 | -20.2 | 40.4 | -26.5 | 0 | 0 | 0 | 114.1 | ||||
| 144 | G | 32.4 | Very low | 35.2 | Very low | 72 Ų | 72 | 138.9 Ų | 138.9 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | -166.6 | 99.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 145 | H | 39.3 | Very low | 35.5 | Very low | 204 Ų | 204 | 140.5 Ų | 140.5 | 94% | 0.944 | 79% | 0.788 | S | S | * | * | trans | 67.3 | 158.1 | 164.1 | -83.7 | 79.9 | 0 | 0 | 0 | 120.6 | ||||
| 146 | L | 33.4 | Very low | 35.6 | Very low | 164 Ų | 164 | 140 Ų | 140 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -157.3 | 116.1 | -152.8 | 178.3 | 89.1 | 0 | 0 | 0 | 113.1 | ||||
| 147 | R | 30.8 | Very low | 35.7 | Very low | 207 Ų | 207 | 144.5 Ų | 144.5 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | 178.4 | 151.2 | 150.9 | -87.5 | -145 | 90.7 | -141 | 6 | 109.3 | ||||
| 148 | Q | 29.1 | Very low | 35.9 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | cis | -159.7 | 154 | -30 | -170.8 | 152.9 | -28.5 | 0 | 0 | 109.8 | ||||
| 149 | Y | 30.7 | Very low | 35.8 | Very low | 212 Ų | 212 | 141.1 Ų | 141.1 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -50.5 | 169.5 | 169.6 | -76.4 | -104.4 | 0 | 0 | 0 | 115.3 | ||||
| 150 | P | 49.6 | Very low | 35.9 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | cis | -142.3 | -166.7 | -45.4 | 41.7 | -24 | 0 | 0 | 0 | 112.1 | ||||
| 151 | S | 26.5 | Very low | 36.4 | Very low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | 168.2 | 145.1 | 124.2 | -73.9 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 152 | N | 34.5 | Very low | 36.1 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -140 | 170.1 | 161.5 | -115.4 | -91.7 | 0 | 0 | 0 | 105.3 | ||||
| 153 | P | 51.6 | Low | 35.9 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | cis | -147.3 | -174.6 | 22.8 | 39.2 | -16.6 | 0 | 0 | 0 | 118.1 | ||||
| 154 | S | 34.2 | Very low | 35 | Very low | 90 Ų | 90 | 147.2 Ų | 147.2 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | trans | 97.4 | 130.2 | 132.5 | -147.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 155 | M | 38.5 | Very low | 35 | Very low | 172 Ų | 172 | 148.5 Ų | 148.5 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | 65.5 | 162.4 | 152.5 | -71.5 | 171.9 | 179.9 | 0 | 0 | 119 | ||||
| 156 | V | 37 | Very low | 35.6 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | cis | -137.6 | 179.3 | 14.9 | -144.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 157 | M | 33.5 | Very low | 35.6 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | trans | -125.5 | 160.9 | -176 | 173.2 | -172.8 | -77.4 | 0 | 0 | 112.6 | ||||
| 158 | K | 36 | Very low | 35.7 | Very low | 202 Ų | 202 | 138 Ų | 138 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | trans | 115.2 | 155.1 | 168.3 | -68.3 | 166.4 | 175.7 | -176.6 | 0 | 113.4 | ||||
| 159 | S | 30.4 | Very low | 35.9 | Very low | 105 Ų | 105 | 139.3 Ų | 139.3 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | cis | -173.1 | -172.2 | -32.1 | -152.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 160 | I | 39.2 | Very low | 36.2 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 70% | 0.697 | 79% | 0.787 | S | S | * | * | cis | -161.6 | 161.5 | 10.6 | 8.4 | 171.2 | 0 | 0 | 0 | 109 | ||||
| 161 | I | 39.2 | Very low | 35.5 | Very low | 150 Ų | 150 | 138 Ų | 138 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | 68.7 | 139.7 | 150.4 | -71.1 | 164.9 | 0 | 0 | 0 | 117 | ||||
| 162 | S | 29 | Very low | 36.4 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | cis | -156.4 | 170.2 | 41.7 | -153.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 163 | M | 29.5 | Very low | 36.3 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -70.7 | 157.5 | -175.5 | -46 | -161.3 | -72.6 | 0 | 0 | 117.3 | ||||
| 164 | N | 30.2 | Very low | 35.5 | Very low | 156 Ų | 156 | 145.8 Ų | 145.8 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | -168.7 | 166.9 | 108.7 | -151.9 | 5.3 | 0 | 0 | 0 | 113.3 | |||||
| 165 | S | 32.2 | Very low | 36.2 | Very low | 99 Ų | 99 | 148.5 Ų | 148.5 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | trans | -116.5 | -165.3 | -176.2 | -36.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 166 | P | 52.5 | Low | 35.9 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | cis | -135.6 | -169.4 | -23.7 | 36.6 | -15.5 | 0 | 0 | 0 | 115.1 | ||||
| 167 | N | 33.7 | Very low | 36.1 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | -20 | 156.8 | 165.5 | -57.9 | -14.4 | 0 | 0 | 0 | 122.1 | ||||
| 168 | G | 32.5 | Very low | 36.3 | Very low | 75 Ų | 75 | 144.3 Ų | 144.3 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -164.7 | 19.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 169 | M | 34.1 | Very low | 35.9 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | 33.5 | 138.8 | 156.5 | -36.4 | -173.4 | 91.1 | 0 | 0 | 124.9 | ||||
| 170 | M | 36.8 | Very low | 36.3 | Very low | 174 Ų | 174 | 144.3 Ų | 144.3 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | 77.1 | 163.4 | 159.2 | -39.4 | -156.7 | -165.7 | 0 | 0 | 117.5 | ||||
| 171 | S | 34.7 | Very low | 36.3 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | cis | -145.2 | -170 | 6.7 | -161.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 172 | R | 44.5 | Very low | 36.4 | Very low | 231 Ų | 231 | 145.3 Ų | 145.3 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -123.4 | 118.2 | -164.9 | 172.5 | -167.2 | 170.4 | -173.6 | -1.4 | 114.9 | ||||
| 173 | N | 33.7 | Very low | 36.9 | Very low | 145 Ų | 145 | 147.9 Ų | 147.9 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | trans | -149.3 | 156.1 | 166 | -59 | 89.5 | 0 | 0 | 0 | 108.1 | ||||
| 174 | Q | 33.2 | Very low | 36.9 | Very low | 165 Ų | 165 | 146.4 Ų | 146.4 | 77% | 0.771 | 80% | 0.802 | S | S | * | * | cis | -156.5 | 178.1 | -13.3 | -119.5 | -68.4 | 53.3 | 0 | 0 | 108.7 | ||||
| 175 | L | 48.8 | Very low | 37 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -103.3 | 153.2 | 168.9 | -114.4 | 76.8 | 0 | 0 | 0 | 112.7 | ||||
| 176 | S | 33.6 | Very low | 37.1 | Very low | 123 Ų | 123 | 146.4 Ų | 146.4 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -159.3 | 165.2 | 154.2 | -121.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 177 | T | 41 | Very low | 36.2 | Very low | 118 Ų | 118 | 147.9 Ų | 147.9 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | trans | -127.2 | -168 | -164.7 | 57 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 178 | I | 36.6 | Very low | 35.9 | Very low | 160 Ų | 160 | 144.5 Ų | 144.5 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | trans | 82.3 | 148.5 | 162.5 | -112.7 | 164.8 | 0 | 0 | 0 | 115.1 | ||||
| 179 | N | 29.1 | Very low | 36.2 | Very low | 136 Ų | 136 | 148 Ų | 148 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -148.7 | 160.4 | 2.9 | 174 | -112.9 | 0 | 0 | 0 | 111.5 | ||||
| 180 | Q | 38.6 | Very low | 36 | Very low | 171 Ų | 171 | 148 Ų | 148 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -98.6 | 134.3 | 163 | -75.4 | -164.1 | 101.3 | 0 | 0 | 111.3 | ||||
| 181 | S | 39.6 | Very low | 36 | Very low | 107 Ų | 107 | 148.6 Ų | 148.6 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | 161.4 | 121.5 | 128.8 | -75.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 182 | Q | 39.9 | Very low | 36 | Very low | 201 Ų | 201 | 147.8 Ų | 147.8 | 94% | 0.939 | 80% | 0.8 | S | S | * | * | trans | -142.8 | 101.7 | 146.1 | -76.6 | -161.1 | 60.8 | 0 | 0 | 110 | ||||
| 183 | L | 39 | Very low | 35.4 | Very low | 161 Ų | 161 | 140.1 Ų | 140.1 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -81 | 170.4 | 153.1 | -54.2 | 167.4 | 0 | 0 | 0 | 106.9 | ||||
| 184 | N | 29.9 | Very low | 36.4 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | cis | -153.8 | 168.2 | 7.2 | -163.7 | 4.3 | 0 | 0 | 0 | 107.5 | ||||
| 185 | G | 33.3 | Very low | 36.3 | Very low | 65 Ų | 65 | 138 Ų | 138 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | -154.5 | -30.4 | -172 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 186 | Q | 33.6 | Very low | 35.6 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -160.8 | 128.8 | 168.9 | -126.6 | 161.5 | 88.7 | 0 | 0 | 114.4 | ||||
| 187 | L | 33.1 | Very low | 35.3 | Very low | 148 Ų | 148 | 137.7 Ų | 137.7 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | -93 | 164.5 | 162.3 | -56.7 | 169.9 | 0 | 0 | 0 | 106.9 | ||||
| 188 | S | 27.9 | Very low | 34.9 | Very low | 92 Ų | 92 | 139.7 Ų | 139.7 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | cis | -161.7 | 157.6 | 23.5 | -142.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 189 | L | 38.4 | Very low | 34.7 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | trans | 27.1 | 136.8 | 143.7 | -52.3 | 169.5 | 0 | 0 | 0 | 120 | ||||
| 190 | N | 30.7 | Very low | 34.9 | Very low | 165 Ų | 165 | 136 Ų | 136 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | -164.7 | 170.3 | 84.4 | -94.7 | -3.4 | 0 | 0 | 0 | 113.5 | |||||
| 191 | M | 37.3 | Very low | 35.1 | Very low | 186 Ų | 186 | 133.9 Ų | 133.9 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | trans | -123.3 | 123.9 | -172.7 | 174.9 | 100.5 | 74.2 | 0 | 0 | 112.5 | ||||
| 192 | A | 34.7 | Very low | 34.8 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -178 | 158.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 193 | G | 31.5 | Very low | 36.1 | Very low | 70 Ų | 70 | 129.7 Ų | 129.7 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | -110.7 | -153.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 194 | P | 54 | Low | 36.4 | Very low | 123 Ų | 123 | 128 Ų | 128 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | cis | -137.2 | 178.9 | -1.7 | 42.8 | -26.4 | 0 | 0 | 0 | 115.8 | ||||
| 195 | N | 31.7 | Very low | 36.3 | Very low | 142 Ų | 142 | 125.8 Ų | 125.8 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | 68.9 | 164 | 164.4 | -118.8 | -21.2 | 0 | 0 | 0 | 114.6 | ||||
| 196 | I | 35.1 | Very low | 36.5 | Very low | 153 Ų | 153 | 127.9 Ų | 127.9 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | cis | -138.2 | 161.7 | 14.4 | -49.4 | 164.8 | 0 | 0 | 0 | 111.4 | ||||
| 197 | N | 27 | Very low | 36.6 | Very low | 110 Ų | 110 | 128 Ų | 128 | 59% | 0.588 | 77% | 0.77 | S | S | * | * | trans | -49.9 | 175.3 | 179 | -47 | -16.7 | 0 | 0 | 0 | 121.4 | ||||
| 198 | H | 32.8 | Very low | 36.7 | Very low | 160 Ų | 160 | 126.6 Ų | 126.6 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | 80.9 | 143.1 | 153.8 | -54.2 | -51.7 | 0 | 0 | 0 | 117.5 | ||||
| 199 | T | 31 | Very low | 36.9 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | cis | -156.9 | 150.7 | -7.6 | 12.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 200 | S | 33.7 | Very low | 36.8 | Very low | 90 Ų | 90 | 126 Ų | 126 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | trans | -87.5 | 156.1 | 160.2 | -172.1 | 0 | 0 | 0 | 0 | 109.9 | S202 | S200-S202 PolarHBondContact OG-OG 3.28Š| ||
| 201 | P | 43.4 | Very low | 37.5 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | -136 | 163.6 | 100.4 | 38 | -27.8 | 0 | 0 | 0 | 114.4 | |||||
| 202 | S | 33.8 | Very low | 37.4 | Very low | 104 Ų | 104 | 120.3 Ų | 120.3 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -115.7 | -152.6 | 178.2 | -47.9 | 0 | 0 | 0 | 0 | 110.9 | S200 | S200-S202 PolarHBondContact OG-OG 3.28Š| ||
| 203 | P | 66.3 | Low | 37.9 | Very low | 117 Ų | 117 | 121.1 Ų | 121.1 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | -121.4 | 178.4 | -127 | 39 | -20.6 | 0 | 0 | 0 | 115.5 | |||||
| 204 | P | 45.8 | Very low | 37.7 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | trans | -116 | 153.7 | 158 | 37 | -26.6 | 0 | 0 | 0 | 112.5 | ||||
| 205 | A | 27.7 | Very low | 36.9 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | cis | -160.9 | 157.9 | -15.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 206 | S | 36.8 | Very low | 36.9 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -83.4 | 158.3 | -173.3 | -42.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 207 | K | 36.7 | Very low | 36.8 | Very low | 192 Ų | 192 | 122.3 Ų | 122.3 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | 178.1 | 148.8 | 138.6 | 59 | -161.4 | 75.5 | 175 | 0 | 109.3 | ||||
| 208 | S | 34.9 | Very low | 37 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | cis | 162.3 | 116.8 | -20 | -89.9 | 0 | 0 | 0 | 0 | 105 | ||||
| 209 | A | 31.8 | Very low | 37.1 | Very low | 96 Ų | 96 | 122.6 Ų | 122.6 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | trans | -178.9 | 109.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 210 | T | 36.9 | Very low | 37.2 | Very low | 134 Ų | 134 | 122.9 Ų | 122.9 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -2.9 | 161.1 | 140.6 | 51.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 211 | P | 44.9 | Very low | 37.7 | Very low | 118 Ų | 118 | 126.4 Ų | 126.4 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | cis | -133.4 | 171.7 | -5.4 | 38.3 | -21.1 | 0 | 0 | 0 | 115.7 | ||||
| 212 | S | 34.8 | Very low | 37.5 | Very low | 112 Ų | 112 | 129 Ų | 129 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -91.3 | 163.1 | 159.4 | -38.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 213 | P | 44.4 | Very low | 37.7 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | -148.6 | -179.5 | 75.2 | 41 | -22.7 | 0 | 0 | 0 | 116.4 | |||||
| 214 | S | 29.1 | Very low | 36.5 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | 67.1 | 82.8 | 157.9 | -58.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 215 | S | 35.8 | Very low | 36.1 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | -81.7 | 137.6 | 127.7 | -60.4 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 216 | S | 31.5 | Very low | 36.4 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -161 | 130.8 | 145.4 | -165.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 217 | I | 32.8 | Very low | 36.4 | Very low | 156 Ų | 156 | 143.7 Ų | 143.7 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | trans | -127.7 | 140.3 | 153.7 | -177.8 | 167.2 | 0 | 0 | 0 | 106.1 | ||||
| 218 | N | 31.4 | Very low | 36.3 | Very low | 118 Ų | 118 | 141 Ų | 141 | 63% | 0.631 | 81% | 0.81 | S | S | * | * | trans | -43.1 | 141.5 | -175.7 | -62.2 | 87.2 | 0 | 0 | 0 | 113.2 | ||||
| 219 | E | 34.9 | Very low | 36.3 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | 57.4 | 138 | 68.1 | -53.6 | 166.9 | 132.2 | 0 | 0 | 111.3 | |||||
| 220 | D | 34.4 | Very low | 36.4 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | cis | -152 | 140.1 | 23.8 | -162.8 | -63.5 | 0 | 0 | 0 | 111.8 | Q222 | D220-Q222 PolarHBondContact OD1-N 3.2Š| ||
| 221 | D | 43.2 | Very low | 36.3 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -160.1 | 84 | 156.9 | -165.4 | -81.5 | 0 | 0 | 0 | 108.5 | ||||
| 222 | Q | 39.4 | Very low | 36.2 | Very low | 181 Ų | 181 | 145 Ų | 145 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -143.5 | 70 | -177 | -159.6 | -173.6 | -52.2 | 0 | 0 | 116.4 | D220 | D220-Q222 PolarHBondContact OD1-N 3.2Š| ||
| 223 | E | 37.5 | Very low | 36.2 | Very low | 196 Ų | 196 | 151 Ų | 151 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -150.6 | 95.4 | 155.7 | 51.1 | 175.9 | 111.1 | 0 | 0 | 115.3 | ||||
| 224 | D | 42.3 | Very low | 36 | Very low | 157 Ų | 157 | 150.3 Ų | 150.3 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | S | Bend | 172.3 | 90.1 | 119.8 | -164.7 | -23.1 | 0 | 0 | 0 | 110.7 | |||
| 225 | S | 37.5 | Very low | 36.4 | Very low | 128 Ų | 128 | 149.6 Ų | 149.6 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | -165 | 70.5 | 168.4 | -86.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 226 | N | 33.8 | Very low | 36.8 | Very low | 143 Ų | 143 | 148.8 Ų | 148.8 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | trans | -153.9 | 105.1 | 164.3 | -167.6 | -19.3 | 0 | 0 | 0 | 113.8 | ||||
| 227 | R | 36.8 | Very low | 37 | Very low | 238 Ų | 238 | 151 Ų | 151 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | 172.9 | 79.8 | 138 | -94.7 | 159.5 | -171.3 | -118.7 | 1.5 | 113.2 | ||||
| 228 | V | 33.7 | Very low | 37.2 | Very low | 136 Ų | 136 | 149.8 Ų | 149.8 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -173.6 | 125.4 | 165.1 | 118.2 | 0 | 0 | 0 | 0 | 105 | ||||
| 229 | I | 35.6 | Very low | 38.1 | Very low | 152 Ų | 152 | 149.5 Ų | 149.5 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | cis | -133.4 | 157.1 | 22.6 | -75.2 | 113.7 | 0 | 0 | 0 | 112.3 | ||||
| 230 | G | 33.8 | Very low | 38.2 | Very low | 73 Ų | 73 | 148.3 Ų | 148.3 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -138.8 | 153.5 | 155.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 231 | E | 35.4 | Very low | 38.7 | Very low | 147 Ų | 147 | 151.6 Ų | 151.6 | 69% | 0.687 | 81% | 0.805 | S | S | * | * | trans | -92.6 | 153.8 | -163.2 | -68 | -162.2 | 74.6 | 0 | 0 | 117.6 | ||||
| 232 | K | 42.4 | Very low | 38.5 | Very low | 177 Ų | 177 | 153.3 Ų | 153.3 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | 16.7 | 140.4 | 141.8 | -52.7 | 162.6 | -169.3 | 150.9 | 0 | 117.5 | ||||
| 233 | R | 34.4 | Very low | 38.7 | Very low | 237 Ų | 237 | 150.6 Ų | 150.6 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | cis | -158.2 | -152.4 | 36.2 | -147.2 | -173.3 | -174.5 | 168.6 | 1.7 | 111.8 | ||||
| 234 | P | 41.2 | Very low | 38.8 | Very low | 104 Ų | 104 | 151.1 Ų | 151.1 | 68% | 0.675 | 80% | 0.802 | S | S | * | * | -121.7 | 156 | -119.9 | 42.2 | -26.3 | 0 | 0 | 0 | 120.3 | |||||
| 235 | A | 36.6 | Very low | 38.7 | Very low | 97 Ų | 97 | 149.5 Ų | 149.5 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | 65.7 | 164.7 | 151.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 236 | P | 43.7 | Very low | 39.2 | Very low | 112 Ų | 112 | 149.2 Ų | 149.2 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -129.9 | 167 | -1.9 | 41.7 | -25.7 | 0 | 0 | 0 | 117.6 | ||||
| 237 | I | 37.3 | Very low | 39.6 | Very low | 162 Ų | 162 | 151.8 Ų | 151.8 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | 31.7 | 119.2 | 146.1 | -53.3 | 164.2 | 0 | 0 | 0 | 121.4 | ||||
| 238 | D | 36.6 | Very low | 40.1 | Very low | 131 Ų | 131 | 150.3 Ų | 150.3 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | -173.5 | 149.7 | 118.2 | -171 | -103.8 | 0 | 0 | 0 | 112 | |||||
| 239 | P | 49.6 | Very low | 41 | Very low | 112 Ų | 112 | 153.5 Ų | 153.5 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -118.1 | 104.9 | -174.6 | 37.6 | -22.5 | 0 | 0 | 0 | 116 | ||||
| 240 | T | 36.2 | Very low | 41.7 | Very low | 133 Ų | 133 | 155.8 Ų | 155.8 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | trans | -120.6 | 128.7 | 170 | 52.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 241 | K | 46 | Very low | 42.5 | Very low | 204 Ų | 204 | 161.7 Ų | 161.7 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | trans | -86.8 | 132.8 | -179 | -60.9 | 170.1 | -178.4 | 170.6 | 0 | 111.6 | ||||
| 242 | K | 37.8 | Very low | 43.2 | Very low | 199 Ų | 199 | 161.2 Ų | 161.2 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | trans | -140.6 | 119.7 | 150.4 | -69.5 | -166.1 | 179.3 | -179 | 0 | 111 | K244 | K242-K244 PolarHBondContact O-N 3.35Š| ||
| 243 | P | 44.5 | Very low | 43.5 | Very low | 124 Ų | 124 | 157.9 Ų | 157.9 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | trans | -75.2 | 124.7 | -179.2 | 29.9 | -33.3 | 0 | 0 | 0 | 111.1 | T245 | P243-T245 PolarHBondContact O-N 3.18Š| ||
| 244 | K | 40.4 | Very low | 45 | Very low | 207 Ų | 207 | 152.7 Ų | 152.7 | 90% | 0.9 | 79% | 0.793 | S | S | * | * | trans | -77.5 | 114.3 | 171.5 | -71.3 | -179.8 | 178.9 | 174.9 | 0 | 109.1 | K242 | K242-K244 PolarHBondContact O-N 3.35Š| ||
| 245 | T | 40.5 | Very low | 45.9 | Very low | 123 Ų | 123 | 154.1 Ų | 154.1 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -65.3 | 138.3 | 178.8 | 45.8 | 0 | 0 | 0 | 0 | 111.3 | P243 K247 | P243-T245 PolarHBondContact O-N 3.18Å; T245-K247 PolarHBondContact O-N 3.29Å; T245-K247 VanDerWaalsContact O-N 3.15Å | ||
| 246 | P | 46.4 | Very low | 47.1 | Very low | 122 Ų | 122 | 153 Ų | 153 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | trans | -70.2 | 113.2 | 179.3 | 27.5 | -33.1 | 0 | 0 | 0 | 109.8 | K248 | P246-K248 PolarHBondContact O-N 3.18Š| ||
| 247 | K | 41.9 | Very low | 48.2 | Very low | 198 Ų | 198 | 148.9 Ų | 148.9 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | trans | -56.9 | 115.2 | 172.8 | -72.7 | -176 | 176.5 | -178.8 | 0 | 109 | T245 K249 | T245-K247 PolarHBondContact O-N 3.29Å; T245-K247 VanDerWaalsContact O-N 3.15Å; K247-K249 PolarHBondContact O-N 3.25Å | ||
| 248 | K | 48.4 | Very low | 49.9 | Very low | 207 Ų | 207 | 148.3 Ų | 148.3 | 90% | 0.9 | 74% | 0.74 | S | S | * | * | trans | -53.6 | 110.9 | 170 | -73.6 | -179.1 | 177 | 177.6 | 0 | 108.1 | P246 K250 | P246-K248 PolarHBondContact O-N 3.18Å; K248-K250 PolarHBondContact O-N 3.46Å | ||
| 249 | K | 52.7 | Low | 51.9 | Low | 202 Ų | 202 | 149.6 Ų | 149.6 | 88% | 0.878 | 74% | 0.74 | S | S | * | * | trans | -59.2 | 125.3 | 169 | -69.3 | -175 | 177.5 | -177.3 | 0 | 107 | K247 K251 | K247-K249 PolarHBondContact O-N 3.25Å; K249-K251 PolarHBondContact O-N 3.17Å | ||
| 250 | K | 49.5 | Very low | 53.3 | Low | 201 Ų | 201 | 146.4 Ų | 146.4 | 87% | 0.874 | 72% | 0.719 | S | S | * | * | trans | -52.8 | 139.3 | 166.5 | -74.8 | -174.2 | 174 | -174.9 | 0 | 107.4 | K248 K252 | K248-K250 PolarHBondContact O-N 3.46Å; K250-K252 PolarHBondContact O-N 3.05Å | ||
| 251 | K | 50.1 | Low | 55.5 | Low | 196 Ų | 196 | 142.3 Ų | 142.3 | 85% | 0.852 | 69% | 0.693 | S | S | * | * | trans | -60.4 | 110.7 | 169.2 | -69.2 | -175.4 | 178.5 | -177.2 | 0 | 106.6 | K249 | K249-K251 PolarHBondContact O-N 3.17Š| ||
| 252 | K | 51.4 | Low | 57.4 | Low | 138 Ų | 138 | 135.9 Ų | 135.9 | 60% | 0.6 | 67% | 0.674 | S | S | * | * | trans | -64.3 | 136.8 | 163.8 | -176.9 | 64.1 | 156.9 | 151.5 | 0 | 106.3 | K250 E256 | K250-K252 PolarHBondContact O-N 3.05Å; K252-E256 VanDerWaalsContact CE-OE1 3.3Å; K252-E256 WeakPolarHBondContact CE-OE1 3.5Å; K252-E256 WeakPolarHBondContact CE-OE2 3.45Å; K252-E256 IonicContact NZ-OE1 2.82Å; K252-E256 PolarHBondContact NZ-OE1 3.33Å; K252-E256 IonicContact NZ-OE2 2.58Å; K252-E256 PolarHBondContact NZ-OE2 2.97Å | ||
| 253 | D | 48.4 | Very low | 59.8 | Low | 107 Ų | 107 | 127 Ų | 127 | 57% | 0.572 | 64% | 0.638 | S | S | * | * | trans | -54.6 | 125.8 | -168 | -64.5 | -87.6 | 0 | 0 | 0 | 111.9 | N255 E256 | D253-N255 PolarHBondContact O-N 3.49Å; D253-E256 PolarHBondContact O-N 3.35Å; D253-E256 VanDerWaalsContact O-N 3.11Å | ||
| 254 | P | 65.1 | Low | 61.9 | Low | 128 Ų | 128 | 125.2 Ų | 125.2 | 83% | 0.831 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -12.5 | -171.9 | -27.3 | 35.5 | 0 | 0 | 0 | 115.8 | ||
| 255 | N | 59.8 | Low | 64.2 | Low | 133 Ų | 133 | 117 Ų | 117 | 71% | 0.711 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -7.1 | -177.8 | -116.4 | 18.1 | 0 | 0 | 0 | 114.1 | D253 Y324 | D253-N255 PolarHBondContact O-N 3.49Å; N255-Y324 HydrophobicContact CB-CE2 4.45Å |
| 256 | E | 63.2 | Low | 66.5 | Low | 74 Ų | 74 | 112.7 Ų | 112.7 | 35% | 0.346 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -77.6 | 122 | 170.1 | -173.5 | 180 | 150.9 | 0 | 0 | 108.4 | K252 D253 Q258 | K252-E256 VanDerWaalsContact CE-OE1 3.3Å; K252-E256 WeakPolarHBondContact CE-OE1 3.5Å; K252-E256 WeakPolarHBondContact CE-OE2 3.45Å; K252-E256 IonicContact NZ-OE1 2.82Å; K252-E256 PolarHBondContact NZ-OE1 3.33Å; K252-E256 IonicContact NZ-OE2 2.58Å; K252-E256 PolarHBondContact NZ-OE2 2.97Å; D253-E256 PolarHBondContact O-N 3.35Å; D253-E256 VanDerWaalsContact O-N 3.11Å; E256-Q258 PolarHBondContact O-N 3.38Å |
| 257 | P | 66.9 | Low | 68.6 | Low | 26 Ų | 26 | 107.2 Ų | 107.2 | 17% | 0.169 | 52% | 0.523 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 132.7 | 178.3 | 24 | -32.8 | 0 | 0 | 0 | 109.5 | Y317 A320 L321 | P257-Y317 HydrophobicContact CB-CD2 4.02Å; P257-Y317 HydrophobicContact CB-CE2 4.33Å; P257-Y317 HydrophobicContact CG-CD2 4.42Å; P257-Y317 HydrophobicContact CG-CE2 4.34Å; P257-Y317 VanDerWaalsContact O-CE2 3.29Å; P257-Y317 WeakPolarHBondContact O-CE2 3.45Å; P257-A320 HydrophobicContact CB-CB 3.88Å; P257-A320 HydrophobicContact CG-CB 4.27Å; P257-L321 HydrophobicContact CG-CB 4.23Å; P257-L321 HydrophobicContact CG-CD1 4.42Å |
| 258 | Q | 73.4 | Confident | 70.9 | Confident | 150 Ų | 150 | 99.3 Ų | 99.3 | 70% | 0.701 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 131.9 | -176.5 | -171.1 | 156.5 | 113.9 | 0 | 0 | 110.3 | E256 Y317 | E256-Q258 PolarHBondContact O-N 3.38Å; Q258-Y317 VanDerWaalsContact O-CD2 3.28Å; Q258-Y317 WeakPolarHBondContact O-CD2 3.44Å |
| 259 | K | 77.3 | Confident | 73 | Confident | 158 Ų | 158 | 96.1 Ų | 96.1 | 69% | 0.687 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -50.2 | 135.1 | 176.4 | -70.1 | -171.6 | 177.6 | -171.6 | 0 | 110.5 | Y317 | K259-Y317 HydrophobicContact CB-CE2 4.43Å; K259-Y317 HydrophobicContact CG-CE2 4.05Å |
| 260 | P | 80.3 | Confident | 74.8 | Confident | 45 Ų | 45 | 90.3 Ų | 90.3 | 29% | 0.292 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -61 | 140.7 | 179.9 | 29.7 | -38.9 | 0 | 0 | 0 | 110.2 | A313 K314 | P260-A313 HydrophobicContact CB-CB 4.29Å; P260-K314 HydrophobicContact CB-CB 4.27Å; P260-K314 HydrophobicContact CG-CB 3.9Å; P260-K314 HydrophobicContact CG-CG 4.2Å |
| 261 | V | 80.6 | Confident | 76.7 | Confident | 46 Ų | 46 | 81.3 Ų | 81.3 | 28% | 0.279 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 146.9 | 172.4 | -67.6 | 0 | 0 | 0 | 0 | 110.4 | A265 L266 T310 | V261-A265 HydrophobicContact CB-CB 4.08Å; V261-L266 HydrophobicContact CG2-CB 3.82Å; V261-L266 HydrophobicContact CG2-CD1 4.16Å; V261-L266 HydrophobicContact CG2-CG 3.89Å; V261-T310 VanDerWaalsContact O-CG2 3.31Å; V261-T310 WeakPolarHBondContact O-CG2 3.27Å; V261-T310 PolarHBondContact O-OG1 3.01Å |
| 262 | S | 87.6 | Confident | 78.6 | Confident | 69 Ų | 69 | 74.7 Ų | 74.7 | 48% | 0.483 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 159.8 | 176.8 | 64.7 | 0 | 0 | 0 | 0 | 111.7 | Y264 A265 L266 T310 | S262-Y264 VanDerWaalsContact C-N 3.31Å; S262-Y264 PolarHBondContact O-N 3.42Å; S262-A265 CarbonylContact O-C 3.54Å; S262-A265 WeakPolarHBondContact O-CA 3.45Å; S262-A265 PolarHBondContact O-N 3.3Å; S262-A265 WeakPolarHBondContact OG-CB 3.45Å; S262-A265 PolarHBondContact OG-N 2.9Å; S262-L266 PolarHBondContact O-N 2.91Å; S262-T310 VanDerWaalsContact C-OG1 3.29Å |
| 263 | A | 88.1 | Confident | 80.5 | Confident | 14 Ų | 14 | 71.2 Ų | 71.2 | 12% | 0.116 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -53.9 | -45.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L266 F267 W295 K307 T310 | A263-L266 PolarHBondContact O-N 2.79Å; A263-F267 PolarHBondContact O-N 2.91Å; A263-W295 HydrophobicContact CB-CH2 4.08Å; A263-K307 HydrophobicContact CB-CG 4.18Å; A263-T310 WeakPolarHBondContact CA-OG1 3.46Å; A263-T310 PolarHBondContact N-OG1 3.23Å; A263-T310 VanDerWaalsContact N-OG1 3.14Å |
| 264 | Y | 88.3 | Confident | 82.5 | Confident | 85 Ų | 85 | 69.1 Ų | 69.1 | 33% | 0.333 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 174.1 | 176.7 | -118.9 | 0 | 0 | 0 | 112.4 | S262 L266 F267 F268 V291 W295 | S262-Y264 VanDerWaalsContact C-N 3.31Å; S262-Y264 PolarHBondContact O-N 3.42Å; Y264-L266 VanDerWaalsContact C-N 3.28Å; Y264-L266 PolarHBondContact O-N 3.27Å; Y264-F267 PolarHBondContact O-N 3.47Å; Y264-F268 HydrophobicContact CE1-CD2 4.43Å; Y264-F268 WeakPolarHBondContact O-CB 3.44Å; Y264-F268 PolarHBondContact O-N 2.97Å; Y264-V291 HydrophobicContact CE2-CG1 4.43Å; Y264-W295 HydrophobicContact CD2-CB 3.92Å; Y264-W295 AromaticContact CD2-CD1 3.74Å; Y264-W295 AromaticContact CD2-CD2 3.64Å; Y264-W295 HydrophobicContact CD2-CD2 3.64Å; Y264-W295 AromaticContact CD2-CE2 3.97Å; Y264-W295 HydrophobicContact CD2-CE3 4.22Å; Y264-W295 AromaticContact CD2-CG 3.47Å; Y264-W295 HydrophobicContact CD2-CG 3.47Å; Y264-W295 VanDerWaalsContact CD2-CG 3.47Å; Y264-W295 HydrophobicContact CE2-CB 3.76Å; Y264-W295 HydrophobicContact CE2-CD2 4.41Å; Y264-W295 AromaticContact CE2-CG 3.81Å; Y264-W295 HydrophobicContact CE2-CG 3.81Å |
| 265 | A | 88.9 | Confident | 83.7 | Confident | 34 Ų | 34 | 64 Ų | 64 | 28% | 0.281 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69 | -25.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V261 S262 R269 | V261-A265 HydrophobicContact CB-CB 4.08Å; S262-A265 CarbonylContact O-C 3.54Å; S262-A265 WeakPolarHBondContact O-CA 3.45Å; S262-A265 PolarHBondContact O-N 3.3Å; S262-A265 WeakPolarHBondContact OG-CB 3.45Å; S262-A265 PolarHBondContact OG-N 2.9Å; A265-R269 WeakPolarHBondContact O-CG 3.41Å; A265-R269 PolarHBondContact O-N 3.45Å |
| 266 | L | 88.2 | Confident | 85.1 | Confident | 33 Ų | 33 | 63.1 Ų | 63.1 | 17% | 0.173 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.8 | -55.9 | 172.5 | -151.2 | 160.4 | 0 | 0 | 0 | 109.6 | V261 S262 A263 Y264 F268 R269 D270 Y306 K309 | V261-L266 HydrophobicContact CG2-CB 3.82Å; V261-L266 HydrophobicContact CG2-CD1 4.16Å; V261-L266 HydrophobicContact CG2-CG 3.89Å; S262-L266 PolarHBondContact O-N 2.91Å; A263-L266 PolarHBondContact O-N 2.79Å; Y264-L266 VanDerWaalsContact C-N 3.28Å; Y264-L266 PolarHBondContact O-N 3.27Å; L266-F268 PolarHBondContact O-N 2.98Å; L266-R269 PolarHBondContact O-N 3.28Å; L266-R269 VanDerWaalsContact O-N 3.09Å; L266-D270 WeakPolarHBondContact CD2-OD2 3.37Å; L266-D270 PolarHBondContact O-N 3.45Å; L266-Y306 HydrophobicContact CD2-CD1 4.2Å; L266-Y306 HydrophobicContact CD2-CE1 4.27Å; L266-K309 HydrophobicContact CD1-CB 4.45Å |
| 267 | F | 90.3 | Very high | 86.3 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 4% | 0.035 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -54.4 | -38.6 | 172.9 | 174.9 | -99.7 | 0 | 0 | 0 | 112.8 | A263 Y264 R269 D270 T271 V291 M294 W295 L298 Y306 | A263-F267 PolarHBondContact O-N 2.91Å; Y264-F267 PolarHBondContact O-N 3.47Å; F267-R269 PolarHBondContact O-N 2.94Å; F267-D270 PolarHBondContact O-N 3.42Å; F267-T271 WeakPolarHBondContact CD2-OG1 3.37Å; F267-T271 HydrophobicContact CE1-CG2 4.41Å; F267-T271 WeakPolarHBondContact CE2-OG1 3.48Å; F267-T271 HydrophobicContact CZ-CG2 4.1Å; F267-T271 VanDerWaalsContact CZ-OG1 3.22Å; F267-T271 WeakPolarHBondContact CZ-OG1 3.41Å; F267-T271 VanDerWaalsContact O-CB 3.24Å; F267-T271 WeakPolarHBondContact O-CB 3.48Å; F267-T271 PolarHBondContact O-N 3.1Å; F267-T271 PolarHBondContact O-OG1 3.24Å; F267-V291 HydrophobicContact CD1-CG1 4.2Å; F267-V291 HydrophobicContact CE1-CG1 4.05Å; F267-M294 HydrophobicContact CE1-CB 4.32Å; F267-M294 HydrophobicContact CZ-CB 3.99Å; F267-W295 HydrophobicContact CB-CE3 3.74Å; F267-W295 HydrophobicContact CB-CZ3 3.73Å; F267-W295 HydrophobicContact CD1-CB 3.92Å; F267-W295 HydrophobicContact CD1-CD2 4.24Å; F267-W295 AromaticContact CD1-CE3 3.52Å; F267-W295 HydrophobicContact CD1-CE3 3.52Å; F267-W295 HydrophobicContact CD1-CG 4.44Å; F267-W295 HydrophobicContact CD1-CZ3 4.38Å; F267-W295 HydrophobicContact CD2-CE3 4.26Å; F267-W295 HydrophobicContact CE1-CB 3.69Å; F267-W295 HydrophobicContact CE1-CE3 4.17Å; F267-W295 AromaticContact CG-CE3 3.56Å; F267-W295 HydrophobicContact CG-CE3 3.56Å; F267-W295 AromaticContact CG-CZ3 4Å; F267-W295 HydrophobicContact CG-CZ3 4Å; F267-L298 HydrophobicContact CD2-CD1 3.97Å; F267-L298 HydrophobicContact CE2-CD1 3.75Å; F267-L298 HydrophobicContact CE2-CD2 4.31Å; F267-L298 HydrophobicContact CE2-CG 4.35Å; F267-L298 HydrophobicContact CG-CD1 4.48Å; F267-L298 HydrophobicContact CZ-CD1 4.1Å; F267-L298 HydrophobicContact CZ-CG 4.39Å; F267-Y306 HydrophobicContact CB-CD1 4.17Å; F267-Y306 HydrophobicContact CB-CD2 4.43Å; F267-Y306 HydrophobicContact CB-CE1 4.23Å; F267-Y306 HydrophobicContact CB-CE2 4.49Å; F267-Y306 HydrophobicContact CB-CG 4.3Å; F267-Y306 HydrophobicContact CD2-CD2 4.25Å; F267-Y306 HydrophobicContact CD2-CE1 4.37Å; F267-Y306 AromaticContact CD2-CE2 3.66Å; F267-Y306 HydrophobicContact CD2-CE2 3.66Å; F267-Y306 AromaticContact CD2-CZ 3.75Å; F267-Y306 HydrophobicContact CE2-CE2 4.42Å |
| 268 | F | 91.4 | Very high | 87.3 | Confident | 32 Ų | 32 | 68.9 Ų | 68.9 | 14% | 0.14 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63 | -43 | 178.9 | -175.5 | -77 | 0 | 0 | 0 | 111.2 | Y264 L266 Q272 F284 V291 | Y264-F268 HydrophobicContact CE1-CD2 4.43Å; Y264-F268 WeakPolarHBondContact O-CB 3.44Å; Y264-F268 PolarHBondContact O-N 2.97Å; L266-F268 PolarHBondContact O-N 2.98Å; F268-Q272 HydrophobicContact CD1-CB 4.33Å; F268-Q272 HydrophobicContact CE1-CB 4.25Å; F268-Q272 HydrophobicContact CE1-CG 4.41Å; F268-Q272 WeakPolarHBondContact O-CA 3.42Å; F268-Q272 WeakPolarHBondContact O-CB 3.45Å; F268-Q272 PolarHBondContact O-N 2.79Å; F268-F284 AromaticContact CE1-CE2 3.95Å; F268-F284 HydrophobicContact CE1-CE2 3.95Å; F268-F284 HydrophobicContact CE1-CZ 4.15Å; F268-F284 AromaticContact CZ-CE2 3.83Å; F268-F284 HydrophobicContact CZ-CE2 3.83Å; F268-F284 AromaticContact CZ-CZ 3.77Å; F268-F284 HydrophobicContact CZ-CZ 3.77Å; F268-V291 HydrophobicContact CB-CG1 4.04Å; F268-V291 HydrophobicContact CD2-CB 4.12Å; F268-V291 HydrophobicContact CD2-CG1 3.41Å; F268-V291 VanDerWaalsContact CD2-CG1 3.41Å; F268-V291 HydrophobicContact CE2-CB 4.3Å; F268-V291 HydrophobicContact CE2-CG1 4.08Å; F268-V291 HydrophobicContact CG-CG1 3.93Å |
| 269 | R | 90.6 | Very high | 87.7 | Confident | 140 Ų | 140 | 66 Ų | 66 | 53% | 0.528 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.4 | -46.1 | 178.4 | -73.5 | 173.4 | 67.2 | 163.8 | 1 | 111.6 | A265 L266 F267 A273 | A265-R269 WeakPolarHBondContact O-CG 3.41Å; A265-R269 PolarHBondContact O-N 3.45Å; L266-R269 PolarHBondContact O-N 3.28Å; L266-R269 VanDerWaalsContact O-N 3.09Å; F267-R269 PolarHBondContact O-N 2.94Å; R269-A273 WeakPolarHBondContact O-CB 3.36Å; R269-A273 PolarHBondContact O-N 3.34Å |
| 270 | D | 90.9 | Very high | 88.1 | Confident | 79 Ų | 79 | 62.8 Ų | 62.8 | 42% | 0.422 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64 | -47.6 | -179 | -62.4 | -10.2 | 0 | 0 | 0 | 110.8 | L266 F267 A273 A274 | L266-D270 WeakPolarHBondContact CD2-OD2 3.37Å; L266-D270 PolarHBondContact O-N 3.45Å; F267-D270 PolarHBondContact O-N 3.42Å; D270-A273 PolarHBondContact O-N 3.05Å; D270-A274 PolarHBondContact O-N 3.31Å |
| 271 | T | 89.6 | Confident | 88.4 | Confident | 13 Ų | 13 | 68.3 Ų | 68.3 | 8% | 0.08 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -74.2 | -36.1 | -177.9 | -47.5 | 0 | 0 | 0 | 0 | 112.1 | F267 A273 A274 I275 V291 M294 | F267-T271 WeakPolarHBondContact CD2-OG1 3.37Å; F267-T271 HydrophobicContact CE1-CG2 4.41Å; F267-T271 WeakPolarHBondContact CE2-OG1 3.48Å; F267-T271 HydrophobicContact CZ-CG2 4.1Å; F267-T271 VanDerWaalsContact CZ-OG1 3.22Å; F267-T271 WeakPolarHBondContact CZ-OG1 3.41Å; F267-T271 VanDerWaalsContact O-CB 3.24Å; F267-T271 WeakPolarHBondContact O-CB 3.48Å; F267-T271 PolarHBondContact O-N 3.1Å; F267-T271 PolarHBondContact O-OG1 3.24Å; T271-A273 VanDerWaalsContact C-N 3.32Å; T271-A273 PolarHBondContact O-N 3.15Å; T271-A274 PolarHBondContact O-N 2.92Å; T271-I275 HydrophobicContact CG2-CD1 3.83Å; T271-I275 HydrophobicContact CG2-CG1 4.37Å; T271-I275 WeakPolarHBondContact O-CG1 3.43Å; T271-I275 PolarHBondContact O-N 2.93Å; T271-V291 HydrophobicContact CG2-CG2 3.91Å; T271-M294 HydrophobicContact CG2-CE 3.72Å; T271-M294 HydrophobicContact CG2-SD 3.7Å |
| 272 | Q | 91.2 | Very high | 88.7 | Confident | 56 Ų | 56 | 67.4 Ų | 67.4 | 26% | 0.262 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 170.9 | -177.3 | -166.5 | 6.3 | 0 | 0 | 110.9 | F268 K276 V287 | F268-Q272 HydrophobicContact CD1-CB 4.33Å; F268-Q272 HydrophobicContact CE1-CB 4.25Å; F268-Q272 HydrophobicContact CE1-CG 4.41Å; F268-Q272 WeakPolarHBondContact O-CA 3.42Å; F268-Q272 WeakPolarHBondContact O-CB 3.45Å; F268-Q272 PolarHBondContact O-N 2.79Å; Q272-K276 WeakPolarHBondContact O-CB 3.22Å; Q272-K276 PolarHBondContact O-N 2.96Å; Q272-V287 HydrophobicContact CB-CG1 4.23Å; Q272-V287 HydrophobicContact CG-CG1 3.91Å |
| 273 | A | 90.4 | Very high | 88.8 | Confident | 66 Ų | 66 | 67.9 Ų | 67.9 | 55% | 0.545 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R269 D270 T271 G277 | R269-A273 WeakPolarHBondContact O-CB 3.36Å; R269-A273 PolarHBondContact O-N 3.34Å; D270-A273 PolarHBondContact O-N 3.05Å; T271-A273 VanDerWaalsContact C-N 3.32Å; T271-A273 PolarHBondContact O-N 3.15Å; A273-G277 PolarHBondContact O-N 3.35Å |
| 274 | A | 91.4 | Very high | 88.7 | Confident | 62 Ų | 62 | 73.3 Ų | 73.3 | 51% | 0.512 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.9 | -52.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D270 T271 K276 G277 Q278 | D270-A274 PolarHBondContact O-N 3.31Å; T271-A274 PolarHBondContact O-N 2.92Å; A274-K276 PolarHBondContact O-N 3.34Å; A274-G277 PolarHBondContact O-N 3.18Å; A274-Q278 WeakPolarHBondContact O-CG 3.24Å; A274-Q278 PolarHBondContact O-N 3.39Å; A274-Q278 VanDerWaalsContact O-N 3.1Å |
| 275 | I | 89.1 | Confident | 88.9 | Confident | 21 Ų | 21 | 71.1 Ų | 71.1 | 11% | 0.108 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.3 | -41.2 | -178.7 | -64.7 | 164.2 | 0 | 0 | 0 | 110.9 | T271 Q278 N279 V287 I290 V291 M294 | T271-I275 HydrophobicContact CG2-CD1 3.83Å; T271-I275 HydrophobicContact CG2-CG1 4.37Å; T271-I275 WeakPolarHBondContact O-CG1 3.43Å; T271-I275 PolarHBondContact O-N 2.93Å; I275-Q278 PolarHBondContact O-N 3.37Å; I275-N279 WeakPolarHBondContact O-CB 3.32Å; I275-N279 PolarHBondContact O-N 3.36Å; I275-V287 HydrophobicContact CB-CG1 4.04Å; I275-V287 HydrophobicContact CD1-CG1 4.22Å; I275-V287 HydrophobicContact CG2-CB 4.4Å; I275-V287 HydrophobicContact CG2-CG1 3.99Å; I275-V287 HydrophobicContact CG2-CG2 3.85Å; I275-I290 HydrophobicContact CD1-CB 4.05Å; I275-I290 HydrophobicContact CD1-CG2 3.57Å; I275-V291 HydrophobicContact CD1-CG2 3.73Å; I275-M294 HydrophobicContact CD1-SD 4.16Å |
| 276 | K | 88.9 | Confident | 89 | Confident | 114 Ų | 114 | 74.3 Ų | 74.3 | 50% | 0.496 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -72.5 | -27.4 | 178.8 | -177 | 160.2 | -179.6 | 147.5 | 0 | 113.2 | Q272 A274 N279 P280 | Q272-K276 WeakPolarHBondContact O-CB 3.22Å; Q272-K276 PolarHBondContact O-N 2.96Å; A274-K276 PolarHBondContact O-N 3.34Å; K276-N279 CarbonylContact O-C 3.42Å; K276-P280 WeakPolarHBondContact O-CA 3.15Å |
| 277 | G | 88.1 | Confident | 89.1 | Confident | 62 Ų | 62 | 72.9 Ų | 72.9 | 64% | 0.639 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -65.2 | -43 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A273 A274 | A273-G277 PolarHBondContact O-N 3.35Å; A274-G277 PolarHBondContact O-N 3.18Å |
| 278 | Q | 87.8 | Confident | 89.2 | Confident | 160 Ų | 160 | 73.7 Ų | 73.7 | 75% | 0.748 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -73.9 | -36 | 176.5 | -63.9 | -67.2 | -8.8 | 0 | 0 | 112.9 | A274 I275 | A274-Q278 WeakPolarHBondContact O-CG 3.24Å; A274-Q278 PolarHBondContact O-N 3.39Å; A274-Q278 VanDerWaalsContact O-N 3.1Å; I275-Q278 PolarHBondContact O-N 3.37Å |
| 279 | N | 82.9 | Confident | 89.3 | Confident | 89 Ų | 89 | 80 Ų | 80 | 48% | 0.476 | 44% | 0.444 | S | S | . | . | trans | -129.2 | 75.3 | -174.3 | -63.3 | -90.1 | 0 | 0 | 0 | 110.6 | I275 K276 N281 A282 | I275-N279 WeakPolarHBondContact O-CB 3.32Å; I275-N279 PolarHBondContact O-N 3.36Å; K276-N279 CarbonylContact O-C 3.42Å; N279-N281 PolarHBondContact O-N 2.96Å; N279-N281 VanDerWaalsContact O-N 3.15Å; N279-A282 HydrophobicContact CB-CB 3.82Å; N279-A282 WeakPolarHBondContact O-CB 3.43Å; N279-A282 PolarHBondContact O-N 3.47Å | ||
| 280 | P | 85.3 | Confident | 89.2 | Confident | 90 Ų | 90 | 77.1 Ų | 77.1 | 58% | 0.584 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -23.2 | -177.7 | 24.1 | -34.4 | 0 | 0 | 0 | 113.6 | K276 | K276-P280 WeakPolarHBondContact O-CA 3.15Š|
| 281 | N | 87.6 | Confident | 89.3 | Confident | 162 Ų | 162 | 73.3 Ų | 73.3 | 87% | 0.866 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -12.3 | 177.1 | -66.3 | -26 | 0 | 0 | 0 | 114.1 | N279 | N279-N281 PolarHBondContact O-N 2.96Å; N279-N281 VanDerWaalsContact O-N 3.15Å |
| 282 | A | 85.8 | Confident | 89.5 | Confident | 26 Ų | 26 | 74.2 Ų | 74.2 | 22% | 0.215 | 43% | 0.426 | C | S | . | . | trans | -67.4 | 134.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | N279 V287 | N279-A282 HydrophobicContact CB-CB 3.82Å; N279-A282 WeakPolarHBondContact O-CB 3.43Å; N279-A282 PolarHBondContact O-N 3.47Å; A282-V287 HydrophobicContact CB-CG2 3.82Å | ||
| 283 | T | 90.9 | Very high | 89.6 | Confident | 79 Ų | 79 | 75.6 Ų | 75.6 | 49% | 0.485 | 44% | 0.442 | S | S | . | . | trans | -73 | 154.2 | 178.7 | 72.4 | 0 | 0 | 0 | 0 | 110.9 | G285 E286 V287 | T283-G285 PolarHBondContact O-N 3.41Å; T283-G285 VanDerWaalsContact O-N 3.13Å; T283-E286 WeakPolarHBondContact CA-OE2 3.15Å; T283-E286 WeakPolarHBondContact CB-OE2 3.24Å; T283-E286 VanDerWaalsContact CG2-OE2 3.31Å; T283-E286 WeakPolarHBondContact CG2-OE2 3.45Å; T283-E286 PolarHBondContact N-OE2 2.9Å; T283-E286 PolarHBondContact O-N 2.88Å; T283-E286 VanDerWaalsContact O-N 3.1Å; T283-E286 VanDerWaalsContact OG1-CD 3.3Å; T283-E286 WeakPolarHBondContact OG1-CG 3.48Å; T283-E286 PolarHBondContact OG1-N 3.27Å; T283-E286 PolarHBondContact OG1-OE2 3Å; T283-V287 WeakPolarHBondContact O-CG2 3.21Å; T283-V287 PolarHBondContact O-N 2.91Å | ||
| 284 | F | 85.6 | Confident | 89.6 | Confident | 128 Ų | 128 | 76.7 Ų | 76.7 | 56% | 0.561 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -56.8 | -31.3 | 177.8 | -179.6 | -100 | 0 | 0 | 0 | 112.9 | F268 S288 | F268-F284 AromaticContact CE1-CE2 3.95Å; F268-F284 HydrophobicContact CE1-CE2 3.95Å; F268-F284 HydrophobicContact CE1-CZ 4.15Å; F268-F284 AromaticContact CZ-CE2 3.83Å; F268-F284 HydrophobicContact CZ-CE2 3.83Å; F268-F284 AromaticContact CZ-CZ 3.77Å; F268-F284 HydrophobicContact CZ-CZ 3.77Å; F284-S288 WeakPolarHBondContact CE1-OG 3.46Å; F284-S288 VanDerWaalsContact O-CB 3.27Å; F284-S288 WeakPolarHBondContact O-CB 3.3Å; F284-S288 PolarHBondContact O-N 3.33Å; F284-S288 PolarHBondContact O-OG 2.91Å |
| 285 | G | 91.5 | Very high | 89.6 | Confident | 40 Ų | 40 | 75.6 Ų | 75.6 | 41% | 0.412 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -70.3 | -37.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T283 K289 | T283-G285 PolarHBondContact O-N 3.41Å; T283-G285 VanDerWaalsContact O-N 3.13Å; G285-K289 WeakPolarHBondContact O-CG 3.48Å; G285-K289 PolarHBondContact O-N 3.36Å |
| 286 | E | 91.2 | Very high | 89.7 | Confident | 100 Ų | 100 | 80 Ų | 80 | 47% | 0.467 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70.2 | -48.4 | 175.2 | -67.9 | 155.9 | 134.4 | 0 | 0 | 110.6 | T283 S288 K289 I290 | T283-E286 WeakPolarHBondContact CA-OE2 3.15Å; T283-E286 WeakPolarHBondContact CB-OE2 3.24Å; T283-E286 VanDerWaalsContact CG2-OE2 3.31Å; T283-E286 WeakPolarHBondContact CG2-OE2 3.45Å; T283-E286 PolarHBondContact N-OE2 2.9Å; T283-E286 PolarHBondContact O-N 2.88Å; T283-E286 VanDerWaalsContact O-N 3.1Å; T283-E286 VanDerWaalsContact OG1-CD 3.3Å; T283-E286 WeakPolarHBondContact OG1-CG 3.48Å; T283-E286 PolarHBondContact OG1-N 3.27Å; T283-E286 PolarHBondContact OG1-OE2 3Å; E286-S288 VanDerWaalsContact C-N 3.29Å; E286-S288 PolarHBondContact O-N 3.3Å; E286-K289 PolarHBondContact O-N 2.93Å; E286-K289 VanDerWaalsContact O-N 3.14Å; E286-I290 WeakPolarHBondContact O-CG1 3.26Å; E286-I290 PolarHBondContact O-N 3.07Å |
| 287 | V | 90.1 | Very high | 89.8 | Confident | 3 Ų | 3 | 77.8 Ų | 77.8 | 2% | 0.018 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 176.2 | -178.2 | 0 | 0 | 0 | 0 | 111 | Q272 I275 A282 T283 K289 I290 V291 | Q272-V287 HydrophobicContact CB-CG1 4.23Å; Q272-V287 HydrophobicContact CG-CG1 3.91Å; I275-V287 HydrophobicContact CB-CG1 4.04Å; I275-V287 HydrophobicContact CD1-CG1 4.22Å; I275-V287 HydrophobicContact CG2-CB 4.4Å; I275-V287 HydrophobicContact CG2-CG1 3.99Å; I275-V287 HydrophobicContact CG2-CG2 3.85Å; A282-V287 HydrophobicContact CB-CG2 3.82Å; T283-V287 WeakPolarHBondContact O-CG2 3.21Å; T283-V287 PolarHBondContact O-N 2.91Å; V287-K289 VanDerWaalsContact C-N 3.33Å; V287-K289 PolarHBondContact O-N 3.01Å; V287-I290 PolarHBondContact O-N 3.47Å; V287-V291 HydrophobicContact CG1-CG2 4.11Å; V287-V291 WeakPolarHBondContact O-CB 3.37Å; V287-V291 VanDerWaalsContact O-CG2 3.24Å; V287-V291 WeakPolarHBondContact O-CG2 3.31Å; V287-V291 PolarHBondContact O-N 2.78Å |
| 288 | S | 92.3 | Very high | 89.9 | Confident | 26 Ų | 26 | 76.3 Ų | 76.3 | 18% | 0.182 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.3 | -38.4 | 177.9 | -60.8 | 0 | 0 | 0 | 0 | 113.2 | F284 E286 A292 | F284-S288 WeakPolarHBondContact CE1-OG 3.46Å; F284-S288 VanDerWaalsContact O-CB 3.27Å; F284-S288 WeakPolarHBondContact O-CB 3.3Å; F284-S288 PolarHBondContact O-N 3.33Å; F284-S288 PolarHBondContact O-OG 2.91Å; E286-S288 VanDerWaalsContact C-N 3.29Å; E286-S288 PolarHBondContact O-N 3.3Å; S288-A292 WeakPolarHBondContact O-CB 3.43Å; S288-A292 PolarHBondContact O-N 3.07Å |
| 289 | K | 93.3 | Very high | 90 | Very high | 163 Ų | 163 | 70.5 Ų | 70.5 | 71% | 0.709 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -67.7 | -43.1 | 176.1 | -73.3 | 173.3 | 178.5 | -176.5 | 0 | 112 | G285 E286 V287 A292 S293 | G285-K289 WeakPolarHBondContact O-CG 3.48Å; G285-K289 PolarHBondContact O-N 3.36Å; E286-K289 PolarHBondContact O-N 2.93Å; E286-K289 VanDerWaalsContact O-N 3.14Å; V287-K289 VanDerWaalsContact C-N 3.33Å; V287-K289 PolarHBondContact O-N 3.01Å; K289-A292 PolarHBondContact O-N 3.38Å; K289-S293 PolarHBondContact O-N 2.92Å |
| 290 | I | 90.1 | Very high | 90.2 | Very high | 80 Ų | 80 | 70.8 Ų | 70.8 | 41% | 0.41 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 177.5 | -61.5 | 162.4 | 0 | 0 | 0 | 109.8 | I275 E286 V287 A292 S293 M294 | I275-I290 HydrophobicContact CD1-CB 4.05Å; I275-I290 HydrophobicContact CD1-CG2 3.57Å; E286-I290 WeakPolarHBondContact O-CG1 3.26Å; E286-I290 PolarHBondContact O-N 3.07Å; V287-I290 PolarHBondContact O-N 3.47Å; I290-A292 PolarHBondContact O-N 2.82Å; I290-S293 PolarHBondContact O-N 2.9Å; I290-M294 HydrophobicContact CG2-CG 4.32Å; I290-M294 HydrophobicContact CG2-SD 3.94Å; I290-M294 WeakPolarHBondContact O-CB 3.41Å; I290-M294 VanDerWaalsContact O-CG 3.3Å; I290-M294 WeakPolarHBondContact O-CG 3.46Å; I290-M294 PolarHBondContact O-N 2.89Å |
| 291 | V | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 177.9 | 172.7 | 0 | 0 | 0 | 0 | 112.1 | Y264 F267 F268 T271 I275 V287 M294 W295 | Y264-V291 HydrophobicContact CE2-CG1 4.43Å; F267-V291 HydrophobicContact CD1-CG1 4.2Å; F267-V291 HydrophobicContact CE1-CG1 4.05Å; F268-V291 HydrophobicContact CB-CG1 4.04Å; F268-V291 HydrophobicContact CD2-CB 4.12Å; F268-V291 HydrophobicContact CD2-CG1 3.41Å; F268-V291 VanDerWaalsContact CD2-CG1 3.41Å; F268-V291 HydrophobicContact CE2-CB 4.3Å; F268-V291 HydrophobicContact CE2-CG1 4.08Å; F268-V291 HydrophobicContact CG-CG1 3.93Å; T271-V291 HydrophobicContact CG2-CG2 3.91Å; I275-V291 HydrophobicContact CD1-CG2 3.73Å; V287-V291 HydrophobicContact CG1-CG2 4.11Å; V287-V291 WeakPolarHBondContact O-CB 3.37Å; V287-V291 VanDerWaalsContact O-CG2 3.24Å; V287-V291 WeakPolarHBondContact O-CG2 3.31Å; V287-V291 PolarHBondContact O-N 2.78Å; V291-M294 PolarHBondContact O-N 3.38Å; V291-W295 WeakPolarHBondContact O-CB 3.45Å; V291-W295 PolarHBondContact O-N 3.38Å |
| 292 | A | 92.7 | Very high | 90.3 | Very high | 31 Ų | 31 | 71.5 Ų | 71.5 | 26% | 0.256 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.8 | -51.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | S288 K289 I290 M294 W295 D296 | S288-A292 WeakPolarHBondContact O-CB 3.43Å; S288-A292 PolarHBondContact O-N 3.07Å; K289-A292 PolarHBondContact O-N 3.38Å; I290-A292 PolarHBondContact O-N 2.82Å; A292-M294 VanDerWaalsContact C-N 3.28Å; A292-M294 PolarHBondContact O-N 3.27Å; A292-W295 WeakPolarHBondContact O-CB 3.48Å; A292-W295 PolarHBondContact O-N 3.32Å; A292-W295 VanDerWaalsContact O-N 3.09Å; A292-D296 PolarHBondContact O-N 3.1Å |
| 293 | S | 93.1 | Very high | 90.5 | Very high | 86 Ų | 86 | 72 Ų | 72 | 60% | 0.601 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.8 | -34.5 | 177.6 | -173 | 0 | 0 | 0 | 0 | 113.2 | K289 I290 G297 | K289-S293 PolarHBondContact O-N 2.92Å; I290-S293 PolarHBondContact O-N 2.9Å; S293-G297 PolarHBondContact O-N 3.05Å; S293-G297 VanDerWaalsContact O-N 3.15Å |
| 294 | M | 90.4 | Very high | 90.4 | Very high | 89 Ų | 89 | 72.7 Ų | 72.7 | 44% | 0.438 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70.1 | -41.1 | 174.1 | -74.2 | 179.3 | 67.9 | 0 | 0 | 111.8 | F267 T271 I275 I290 V291 A292 G297 L298 | F267-M294 HydrophobicContact CE1-CB 4.32Å; F267-M294 HydrophobicContact CZ-CB 3.99Å; T271-M294 HydrophobicContact CG2-CE 3.72Å; T271-M294 HydrophobicContact CG2-SD 3.7Å; I275-M294 HydrophobicContact CD1-SD 4.16Å; I290-M294 HydrophobicContact CG2-CG 4.32Å; I290-M294 HydrophobicContact CG2-SD 3.94Å; I290-M294 WeakPolarHBondContact O-CB 3.41Å; I290-M294 VanDerWaalsContact O-CG 3.3Å; I290-M294 WeakPolarHBondContact O-CG 3.46Å; I290-M294 PolarHBondContact O-N 2.89Å; V291-M294 PolarHBondContact O-N 3.38Å; A292-M294 VanDerWaalsContact C-N 3.28Å; A292-M294 PolarHBondContact O-N 3.27Å; M294-G297 CarbonylContact O-C 3.57Å; M294-G297 PolarHBondContact O-N 2.85Å; M294-L298 WeakPolarHBondContact O-CG 3.39Å; M294-L298 PolarHBondContact O-N 3.29Å; M294-L298 VanDerWaalsContact O-N 3.07Å |
| 295 | W | 91.3 | Very high | 90.6 | Very high | 39 Ų | 39 | 70 Ų | 70 | 15% | 0.148 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 176.1 | 175.6 | -101.3 | 0 | 0 | 0 | 111.4 | A263 Y264 F267 V291 A292 G297 L298 K303 Y306 | A263-W295 HydrophobicContact CB-CH2 4.08Å; Y264-W295 HydrophobicContact CD2-CB 3.92Å; Y264-W295 AromaticContact CD2-CD1 3.74Å; Y264-W295 AromaticContact CD2-CD2 3.64Å; Y264-W295 HydrophobicContact CD2-CD2 3.64Å; Y264-W295 AromaticContact CD2-CE2 3.97Å; Y264-W295 HydrophobicContact CD2-CE3 4.22Å; Y264-W295 AromaticContact CD2-CG 3.47Å; Y264-W295 HydrophobicContact CD2-CG 3.47Å; Y264-W295 VanDerWaalsContact CD2-CG 3.47Å; Y264-W295 HydrophobicContact CE2-CB 3.76Å; Y264-W295 HydrophobicContact CE2-CD2 4.41Å; Y264-W295 AromaticContact CE2-CG 3.81Å; Y264-W295 HydrophobicContact CE2-CG 3.81Å; F267-W295 HydrophobicContact CB-CE3 3.74Å; F267-W295 HydrophobicContact CB-CZ3 3.73Å; F267-W295 HydrophobicContact CD1-CB 3.92Å; F267-W295 HydrophobicContact CD1-CD2 4.24Å; F267-W295 AromaticContact CD1-CE3 3.52Å; F267-W295 HydrophobicContact CD1-CE3 3.52Å; F267-W295 HydrophobicContact CD1-CG 4.44Å; F267-W295 HydrophobicContact CD1-CZ3 4.38Å; F267-W295 HydrophobicContact CD2-CE3 4.26Å; F267-W295 HydrophobicContact CE1-CB 3.69Å; F267-W295 HydrophobicContact CE1-CE3 4.17Å; F267-W295 AromaticContact CG-CE3 3.56Å; F267-W295 HydrophobicContact CG-CE3 3.56Å; F267-W295 AromaticContact CG-CZ3 4Å; F267-W295 HydrophobicContact CG-CZ3 4Å; V291-W295 WeakPolarHBondContact O-CB 3.45Å; V291-W295 PolarHBondContact O-N 3.38Å; A292-W295 WeakPolarHBondContact O-CB 3.48Å; A292-W295 PolarHBondContact O-N 3.32Å; A292-W295 VanDerWaalsContact O-N 3.09Å; W295-G297 VanDerWaalsContact C-N 3.26Å; W295-G297 PolarHBondContact O-N 3.47Å; W295-L298 HydrophobicContact CD2-CD1 4.46Å; W295-L298 HydrophobicContact CE3-CD1 3.6Å; W295-L298 HydrophobicContact CZ3-CD1 3.95Å; W295-L298 WeakPolarHBondContact O-CB 3.5Å; W295-L298 PolarHBondContact O-N 3.06Å; W295-L298 VanDerWaalsContact O-N 3.08Å; W295-K303 HydrophobicContact CH2-CB 4.34Å; W295-K303 HydrophobicContact CH2-CG 4.12Å; W295-K303 HydrophobicContact CZ2-CG 4.1Å; W295-K303 HydrophobicContact CZ3-CG 4.41Å; W295-K303 WeakPolarHBondContact O-CE 3.23Å; W295-K303 PolarHBondContact O-NZ 3.13Å; W295-Y306 HydrophobicContact CZ3-CD2 4.08Å; W295-Y306 HydrophobicContact CZ3-CG 4.23Å |
| 296 | D | 92.3 | Very high | 90.5 | Very high | 114 Ų | 114 | 70 Ų | 70 | 61% | 0.61 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.9 | -39.5 | 178.6 | -66.6 | -30.2 | 0 | 0 | 0 | 110.8 | A292 L298 K303 | A292-D296 PolarHBondContact O-N 3.1Å; D296-L298 PolarHBondContact O-N 3.14Å; D296-K303 PolarHBondContact O-NZ 2.92Å |
| 297 | G | 90.3 | Very high | 90.4 | Very high | 67 Ų | 67 | 69.3 Ų | 69.3 | 69% | 0.691 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -8.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117 | S293 M294 W295 | S293-G297 PolarHBondContact O-N 3.05Å; S293-G297 VanDerWaalsContact O-N 3.15Å; M294-G297 CarbonylContact O-C 3.57Å; M294-G297 PolarHBondContact O-N 2.85Å; W295-G297 VanDerWaalsContact C-N 3.26Å; W295-G297 PolarHBondContact O-N 3.47Å |
| 298 | L | 90.5 | Very high | 90.3 | Very high | 31 Ų | 31 | 72.6 Ų | 72.6 | 16% | 0.162 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -66.6 | 141.5 | 173.4 | -70.5 | -178.2 | 0 | 0 | 0 | 111 | F267 M294 W295 D296 Q302 K303 Y306 | F267-L298 HydrophobicContact CD2-CD1 3.97Å; F267-L298 HydrophobicContact CE2-CD1 3.75Å; F267-L298 HydrophobicContact CE2-CD2 4.31Å; F267-L298 HydrophobicContact CE2-CG 4.35Å; F267-L298 HydrophobicContact CG-CD1 4.48Å; F267-L298 HydrophobicContact CZ-CD1 4.1Å; F267-L298 HydrophobicContact CZ-CG 4.39Å; M294-L298 WeakPolarHBondContact O-CG 3.39Å; M294-L298 PolarHBondContact O-N 3.29Å; M294-L298 VanDerWaalsContact O-N 3.07Å; W295-L298 HydrophobicContact CD2-CD1 4.46Å; W295-L298 HydrophobicContact CE3-CD1 3.6Å; W295-L298 HydrophobicContact CZ3-CD1 3.95Å; W295-L298 WeakPolarHBondContact O-CB 3.5Å; W295-L298 PolarHBondContact O-N 3.06Å; W295-L298 VanDerWaalsContact O-N 3.08Å; D296-L298 PolarHBondContact O-N 3.14Å; L298-Q302 HydrophobicContact CB-CB 4.23Å; L298-Q302 HydrophobicContact CD1-CB 4.41Å; L298-Q302 HydrophobicContact CD2-CB 4.27Å; L298-K303 HydrophobicContact CB-CD 4.45Å; L298-K303 HydrophobicContact CB-CG 3.99Å; L298-K303 HydrophobicContact CD1-CG 4.46Å; L298-K303 WeakPolarHBondContact O-CE 3.22Å; L298-K303 PolarHBondContact O-NZ 3.34Å; L298-Y306 HydrophobicContact CD1-CD2 4.31Å; L298-Y306 HydrophobicContact CD1-CE2 4.31Å |
| 299 | G | 90.1 | Very high | 90.1 | Very high | 37 Ų | 37 | 76.1 Ų | 76.1 | 38% | 0.381 | 41% | 0.409 | S | S | . | . | trans | -63.2 | 152.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E301 Q302 K303 | G299-E301 PolarHBondContact O-N 3.44Å; G299-Q302 VanDerWaalsContact N-OE1 3.17Å; G299-Q302 WeakPolarHBondContact O-CB 3.44Å; G299-Q302 PolarHBondContact O-N 3.4Å; G299-K303 PolarHBondContact O-N 3.47Å | ||
| 300 | E | 87.9 | Confident | 89.8 | Confident | 96 Ų | 96 | 69.6 Ų | 69.6 | 45% | 0.449 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.7 | -33.3 | -178.7 | -179.9 | 55.3 | -161.2 | 0 | 0 | 112 | Q302 K303 Q304 K307 | E300-Q302 VanDerWaalsContact C-N 3.33Å; E300-Q302 PolarHBondContact O-N 2.93Å; E300-K303 CarbonylContact O-C 3.57Å; E300-K303 WeakPolarHBondContact O-CB 3.49Å; E300-K303 PolarHBondContact O-N 2.81Å; E300-Q304 HydrophobicContact CG-CG 4.22Å; E300-Q304 WeakPolarHBondContact O-CB 3.5Å; E300-Q304 WeakPolarHBondContact O-CG 3.44Å; E300-Q304 PolarHBondContact O-N 2.6Å; E300-Q304 WeakPolarHBondContact OE1-CG 2.96Å; E300-Q304 PolarHBondContact OE1-NE2 3.26Å; E300-K307 IonicContact OE1-NZ 2.64Å; E300-K307 PolarHBondContact OE1-NZ 3.26Å; E300-K307 IonicContact OE2-NZ 3.61Å |
| 301 | E | 87.6 | Confident | 89.7 | Confident | 164 Ų | 164 | 72.3 Ų | 72.3 | 77% | 0.766 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -55.9 | -44.7 | 171.5 | -175.3 | 179.7 | -172.4 | 0 | 0 | 112.5 | G299 Q304 V305 | G299-E301 PolarHBondContact O-N 3.44Å; E301-Q304 WeakPolarHBondContact O-CB 3.48Å; E301-Q304 PolarHBondContact O-N 3.36Å; E301-V305 WeakPolarHBondContact O-CG2 3.46Å; E301-V305 PolarHBondContact O-N 3.33Å |
| 302 | Q | 87.3 | Confident | 89.5 | Confident | 103 Ų | 103 | 75 Ų | 75 | 48% | 0.481 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.8 | -40 | 178.2 | -66.6 | 165 | -22.6 | 0 | 0 | 111 | L298 G299 E300 Q304 V305 Y306 | L298-Q302 HydrophobicContact CB-CB 4.23Å; L298-Q302 HydrophobicContact CD1-CB 4.41Å; L298-Q302 HydrophobicContact CD2-CB 4.27Å; G299-Q302 VanDerWaalsContact N-OE1 3.17Å; G299-Q302 WeakPolarHBondContact O-CB 3.44Å; G299-Q302 PolarHBondContact O-N 3.4Å; E300-Q302 VanDerWaalsContact C-N 3.33Å; E300-Q302 PolarHBondContact O-N 2.93Å; Q302-Q304 VanDerWaalsContact C-N 3.29Å; Q302-Q304 PolarHBondContact O-N 2.9Å; Q302-V305 PolarHBondContact O-N 3.45Å; Q302-Y306 VanDerWaalsContact O-CD2 3.23Å; Q302-Y306 WeakPolarHBondContact O-CD2 3.42Å; Q302-Y306 PolarHBondContact O-N 3.38Å; Q302-Y306 VanDerWaalsContact O-N 3.16Å |
| 303 | K | 89 | Confident | 89.2 | Confident | 35 Ų | 35 | 75.2 Ų | 75.2 | 15% | 0.152 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.9 | -39.2 | 171.3 | -72 | 164.9 | 170.6 | 144.5 | 0 | 111.2 | W295 D296 L298 G299 E300 Y306 K307 | W295-K303 HydrophobicContact CH2-CB 4.34Å; W295-K303 HydrophobicContact CH2-CG 4.12Å; W295-K303 HydrophobicContact CZ2-CG 4.1Å; W295-K303 HydrophobicContact CZ3-CG 4.41Å; W295-K303 WeakPolarHBondContact O-CE 3.23Å; W295-K303 PolarHBondContact O-NZ 3.13Å; D296-K303 PolarHBondContact O-NZ 2.92Å; L298-K303 HydrophobicContact CB-CD 4.45Å; L298-K303 HydrophobicContact CB-CG 3.99Å; L298-K303 HydrophobicContact CD1-CG 4.46Å; L298-K303 WeakPolarHBondContact O-CE 3.22Å; L298-K303 PolarHBondContact O-NZ 3.34Å; G299-K303 PolarHBondContact O-N 3.47Å; E300-K303 CarbonylContact O-C 3.57Å; E300-K303 WeakPolarHBondContact O-CB 3.49Å; E300-K303 PolarHBondContact O-N 2.81Å; K303-Y306 PolarHBondContact O-N 2.94Å; K303-K307 VanDerWaalsContact O-CG 3.31Å; K303-K307 WeakPolarHBondContact O-CG 3.35Å; K303-K307 PolarHBondContact O-N 2.93Å |
| 304 | Q | 89.3 | Confident | 88.9 | Confident | 95 Ų | 95 | 77 Ų | 77 | 44% | 0.444 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68 | -37.4 | 175.5 | -71 | -68.6 | -8.5 | 0 | 0 | 112.9 | E300 E301 Q302 Y306 K307 S308 | E300-Q304 HydrophobicContact CG-CG 4.22Å; E300-Q304 WeakPolarHBondContact O-CB 3.5Å; E300-Q304 WeakPolarHBondContact O-CG 3.44Å; E300-Q304 PolarHBondContact O-N 2.6Å; E300-Q304 WeakPolarHBondContact OE1-CG 2.96Å; E300-Q304 PolarHBondContact OE1-NE2 3.26Å; E301-Q304 WeakPolarHBondContact O-CB 3.48Å; E301-Q304 PolarHBondContact O-N 3.36Å; Q302-Q304 VanDerWaalsContact C-N 3.29Å; Q302-Q304 PolarHBondContact O-N 2.9Å; Q304-Y306 VanDerWaalsContact C-N 3.3Å; Q304-Y306 PolarHBondContact O-N 3.32Å; Q304-K307 HydrophobicContact CG-CD 4.4Å; Q304-K307 PolarHBondContact O-N 3.16Å; Q304-S308 VanDerWaalsContact O-CB 3.32Å; Q304-S308 WeakPolarHBondContact O-CB 2.91Å; Q304-S308 PolarHBondContact O-N 3.43Å |
| 305 | V | 90 | Very high | 88.8 | Confident | 71 Ų | 71 | 80.7 Ų | 80.7 | 43% | 0.43 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.8 | -41.2 | 170.1 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | E301 Q302 K309 | E301-V305 WeakPolarHBondContact O-CG2 3.46Å; E301-V305 PolarHBondContact O-N 3.33Å; Q302-V305 PolarHBondContact O-N 3.45Å; V305-K309 HydrophobicContact CG1-CD 4.22Å; V305-K309 WeakPolarHBondContact O-CB 3.49Å; V305-K309 VanDerWaalsContact O-CG 3.26Å; V305-K309 WeakPolarHBondContact O-CG 3.43Å; V305-K309 PolarHBondContact O-N 2.92Å |
| 306 | Y | 89.1 | Confident | 88.6 | Confident | 41 Ų | 41 | 85.4 Ų | 85.4 | 16% | 0.161 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -72.2 | -36.7 | 174.8 | -73.4 | -73.6 | 0 | 0 | 0 | 113.5 | L266 F267 W295 L298 Q302 K303 Q304 K309 T310 | L266-Y306 HydrophobicContact CD2-CD1 4.2Å; L266-Y306 HydrophobicContact CD2-CE1 4.27Å; F267-Y306 HydrophobicContact CB-CD1 4.17Å; F267-Y306 HydrophobicContact CB-CD2 4.43Å; F267-Y306 HydrophobicContact CB-CE1 4.23Å; F267-Y306 HydrophobicContact CB-CE2 4.49Å; F267-Y306 HydrophobicContact CB-CG 4.3Å; F267-Y306 HydrophobicContact CD2-CD2 4.25Å; F267-Y306 HydrophobicContact CD2-CE1 4.37Å; F267-Y306 AromaticContact CD2-CE2 3.66Å; F267-Y306 HydrophobicContact CD2-CE2 3.66Å; F267-Y306 AromaticContact CD2-CZ 3.75Å; F267-Y306 HydrophobicContact CE2-CE2 4.42Å; W295-Y306 HydrophobicContact CZ3-CD2 4.08Å; W295-Y306 HydrophobicContact CZ3-CG 4.23Å; L298-Y306 HydrophobicContact CD1-CD2 4.31Å; L298-Y306 HydrophobicContact CD1-CE2 4.31Å; Q302-Y306 VanDerWaalsContact O-CD2 3.23Å; Q302-Y306 WeakPolarHBondContact O-CD2 3.42Å; Q302-Y306 PolarHBondContact O-N 3.38Å; Q302-Y306 VanDerWaalsContact O-N 3.16Å; K303-Y306 PolarHBondContact O-N 2.94Å; Q304-Y306 VanDerWaalsContact C-N 3.3Å; Q304-Y306 PolarHBondContact O-N 3.32Å; Y306-K309 HydrophobicContact CD1-CD 4.3Å; Y306-K309 PolarHBondContact O-N 3.25Å; Y306-T310 PolarHBondContact O-N 3.24Å |
| 307 | K | 88.6 | Confident | 88.3 | Confident | 84 Ų | 84 | 82 Ų | 82 | 37% | 0.365 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58 | -50.7 | 171.2 | -70.3 | 164.4 | -176.1 | 174.9 | 0 | 110.7 | A263 E300 K303 Q304 T310 E311 | A263-K307 HydrophobicContact CB-CG 4.18Å; E300-K307 IonicContact OE1-NZ 2.64Å; E300-K307 PolarHBondContact OE1-NZ 3.26Å; E300-K307 IonicContact OE2-NZ 3.61Å; K303-K307 VanDerWaalsContact O-CG 3.31Å; K303-K307 WeakPolarHBondContact O-CG 3.35Å; K303-K307 PolarHBondContact O-N 2.93Å; Q304-K307 HydrophobicContact CG-CD 4.4Å; Q304-K307 PolarHBondContact O-N 3.16Å; K307-T310 PolarHBondContact O-N 2.77Å; K307-E311 PolarHBondContact O-N 3.18Å |
| 308 | S | 88.6 | Confident | 88.2 | Confident | 72 Ų | 72 | 83.5 Ų | 83.5 | 50% | 0.503 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 178.7 | -174.8 | 0 | 0 | 0 | 0 | 112.8 | Q304 T310 E311 A312 | Q304-S308 VanDerWaalsContact O-CB 3.32Å; Q304-S308 WeakPolarHBondContact O-CB 2.91Å; Q304-S308 PolarHBondContact O-N 3.43Å; S308-T310 PolarHBondContact O-N 3.39Å; S308-E311 PolarHBondContact O-N 3Å; S308-A312 WeakPolarHBondContact O-CB 3.46Å; S308-A312 PolarHBondContact O-N 3.03Å |
| 309 | K | 87.1 | Confident | 88.1 | Confident | 101 Ų | 101 | 89.8 Ų | 89.8 | 44% | 0.439 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 171.9 | -78.5 | 173.6 | 178.1 | -178.5 | 0 | 112.3 | L266 V305 Y306 A312 A313 | L266-K309 HydrophobicContact CD1-CB 4.45Å; V305-K309 HydrophobicContact CG1-CD 4.22Å; V305-K309 WeakPolarHBondContact O-CB 3.49Å; V305-K309 VanDerWaalsContact O-CG 3.26Å; V305-K309 WeakPolarHBondContact O-CG 3.43Å; V305-K309 PolarHBondContact O-N 2.92Å; Y306-K309 HydrophobicContact CD1-CD 4.3Å; Y306-K309 PolarHBondContact O-N 3.25Å; K309-A312 PolarHBondContact O-N 2.75Å; K309-A313 WeakPolarHBondContact O-CB 3.48Å; K309-A313 PolarHBondContact O-N 2.76Å |
| 310 | T | 88.3 | Confident | 87.9 | Confident | 25 Ų | 25 | 89.8 Ų | 89.8 | 15% | 0.153 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 175.6 | -80.4 | 0 | 0 | 0 | 0 | 112.1 | V261 S262 A263 Y306 K307 S308 A313 K314 | V261-T310 VanDerWaalsContact O-CG2 3.31Å; V261-T310 WeakPolarHBondContact O-CG2 3.27Å; V261-T310 PolarHBondContact O-OG1 3.01Å; S262-T310 VanDerWaalsContact C-OG1 3.29Å; A263-T310 WeakPolarHBondContact CA-OG1 3.46Å; A263-T310 PolarHBondContact N-OG1 3.23Å; A263-T310 VanDerWaalsContact N-OG1 3.14Å; Y306-T310 PolarHBondContact O-N 3.24Å; K307-T310 PolarHBondContact O-N 2.77Å; S308-T310 PolarHBondContact O-N 3.39Å; T310-A313 PolarHBondContact O-N 2.92Å; T310-K314 WeakPolarHBondContact O-CB 3.42Å; T310-K314 PolarHBondContact O-N 3.08Å |
| 311 | E | 87.9 | Confident | 87.8 | Confident | 137 Ų | 137 | 86.9 Ų | 86.9 | 64% | 0.64 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -67.2 | -44.6 | 176.5 | -168.7 | -173.6 | 172.3 | 0 | 0 | 112 | K307 S308 A313 K314 K315 | K307-E311 PolarHBondContact O-N 3.18Å; S308-E311 PolarHBondContact O-N 3Å; E311-A313 PolarHBondContact O-N 3.24Å; E311-K314 WeakPolarHBondContact O-CB 3.37Å; E311-K314 PolarHBondContact O-N 3.09Å; E311-K314 VanDerWaalsContact O-N 3.11Å; E311-K315 PolarHBondContact O-N 3.23Å |
| 312 | A | 89 | Confident | 87.7 | Confident | 58 Ų | 58 | 81.9 Ų | 81.9 | 48% | 0.479 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S308 K309 K314 K315 E316 | S308-A312 WeakPolarHBondContact O-CB 3.46Å; S308-A312 PolarHBondContact O-N 3.03Å; K309-A312 PolarHBondContact O-N 2.75Å; A312-K314 VanDerWaalsContact C-N 3.3Å; A312-K314 PolarHBondContact O-N 3.45Å; A312-K315 WeakPolarHBondContact O-CB 3.42Å; A312-K315 PolarHBondContact O-N 3.28Å; A312-E316 WeakPolarHBondContact O-CB 3.36Å; A312-E316 PolarHBondContact O-N 3.5Å |
| 313 | A | 85.7 | Confident | 87.6 | Confident | 34 Ų | 34 | 79.9 Ų | 79.9 | 28% | 0.281 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.1 | -32.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P260 K309 T310 E311 Y317 | P260-A313 HydrophobicContact CB-CB 4.29Å; K309-A313 WeakPolarHBondContact O-CB 3.48Å; K309-A313 PolarHBondContact O-N 2.76Å; T310-A313 PolarHBondContact O-N 2.92Å; E311-A313 PolarHBondContact O-N 3.24Å; A313-Y317 VanDerWaalsContact O-CB 3.24Å; A313-Y317 WeakPolarHBondContact O-CB 3.41Å; A313-Y317 PolarHBondContact O-N 3.35Å |
| 314 | K | 86.9 | Confident | 87.4 | Confident | 125 Ų | 125 | 81.3 Ų | 81.3 | 54% | 0.543 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.5 | -42 | 173.3 | -178.4 | -178 | 177 | -175.4 | 0 | 111.7 | P260 T310 E311 A312 Y317 L318 | P260-K314 HydrophobicContact CB-CB 4.27Å; P260-K314 HydrophobicContact CG-CB 3.9Å; P260-K314 HydrophobicContact CG-CG 4.2Å; T310-K314 WeakPolarHBondContact O-CB 3.42Å; T310-K314 PolarHBondContact O-N 3.08Å; E311-K314 WeakPolarHBondContact O-CB 3.37Å; E311-K314 PolarHBondContact O-N 3.09Å; E311-K314 VanDerWaalsContact O-N 3.11Å; A312-K314 VanDerWaalsContact C-N 3.3Å; A312-K314 PolarHBondContact O-N 3.45Å; K314-Y317 PolarHBondContact O-N 3.09Å; K314-L318 WeakPolarHBondContact O-CG 3.32Å; K314-L318 PolarHBondContact O-N 2.9Å; K314-L318 VanDerWaalsContact O-N 3.09Å |
| 315 | K | 87.6 | Confident | 87.2 | Confident | 166 Ų | 166 | 84.7 Ų | 84.7 | 72% | 0.722 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -64.8 | -41.7 | 174.8 | -172.3 | 173.9 | -177.4 | 173.2 | 0 | 111.6 | E311 A312 L318 K319 | E311-K315 PolarHBondContact O-N 3.23Å; A312-K315 WeakPolarHBondContact O-CB 3.42Å; A312-K315 PolarHBondContact O-N 3.28Å; K315-L318 PolarHBondContact O-N 2.8Å; K315-K319 PolarHBondContact O-N 3.15Å; K315-K319 VanDerWaalsContact O-N 3.1Å |
| 316 | E | 86.8 | Confident | 86.8 | Confident | 138 Ų | 138 | 84.1 Ų | 84.1 | 65% | 0.645 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -66.7 | -44.8 | 175 | -175.1 | 168.7 | -154 | 0 | 0 | 112.2 | A312 L318 K319 A320 | A312-E316 WeakPolarHBondContact O-CB 3.36Å; A312-E316 PolarHBondContact O-N 3.5Å; E316-L318 VanDerWaalsContact C-N 3.3Å; E316-L318 PolarHBondContact O-N 3.44Å; E316-K319 WeakPolarHBondContact O-CB 3.41Å; E316-K319 PolarHBondContact O-N 3.01Å; E316-K319 VanDerWaalsContact O-N 3.14Å; E316-A320 WeakPolarHBondContact O-CB 3.31Å; E316-A320 PolarHBondContact O-N 2.67Å |
| 317 | Y | 87.8 | Confident | 86.4 | Confident | 42 Ų | 42 | 84.9 Ų | 84.9 | 17% | 0.165 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -55.2 | -43.4 | 173.5 | 166 | -92.5 | 0 | 0 | 0 | 112.2 | P257 Q258 K259 A313 K314 A320 L321 | P257-Y317 HydrophobicContact CB-CD2 4.02Å; P257-Y317 HydrophobicContact CB-CE2 4.33Å; P257-Y317 HydrophobicContact CG-CD2 4.42Å; P257-Y317 HydrophobicContact CG-CE2 4.34Å; P257-Y317 VanDerWaalsContact O-CE2 3.29Å; P257-Y317 WeakPolarHBondContact O-CE2 3.45Å; Q258-Y317 VanDerWaalsContact O-CD2 3.28Å; Q258-Y317 WeakPolarHBondContact O-CD2 3.44Å; K259-Y317 HydrophobicContact CB-CE2 4.43Å; K259-Y317 HydrophobicContact CG-CE2 4.05Å; A313-Y317 VanDerWaalsContact O-CB 3.24Å; A313-Y317 WeakPolarHBondContact O-CB 3.41Å; A313-Y317 PolarHBondContact O-N 3.35Å; K314-Y317 PolarHBondContact O-N 3.09Å; Y317-A320 PolarHBondContact O-N 2.93Å; Y317-L321 HydrophobicContact CE1-CD2 4.2Å; Y317-L321 VanDerWaalsContact O-CB 3.26Å; Y317-L321 WeakPolarHBondContact O-CB 3.26Å; Y317-L321 PolarHBondContact O-N 3.19Å |
| 318 | L | 86.3 | Confident | 86 | Confident | 98 Ų | 98 | 85 Ų | 85 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 177.1 | -71 | 170.6 | 0 | 0 | 0 | 112 | K314 K315 E316 L321 A322 | K314-L318 WeakPolarHBondContact O-CG 3.32Å; K314-L318 PolarHBondContact O-N 2.9Å; K314-L318 VanDerWaalsContact O-N 3.09Å; K315-L318 PolarHBondContact O-N 2.8Å; E316-L318 VanDerWaalsContact C-N 3.3Å; E316-L318 PolarHBondContact O-N 3.44Å; L318-L321 PolarHBondContact O-N 3.41Å; L318-A322 PolarHBondContact O-N 3.41Å |
| 319 | K | 88.6 | Confident | 85.7 | Confident | 163 Ų | 163 | 86.5 Ų | 86.5 | 71% | 0.709 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.8 | -45.2 | 173.7 | -175.5 | -175.4 | 177.2 | -172.8 | 0 | 111.6 | K315 E316 A322 A323 | K315-K319 PolarHBondContact O-N 3.15Å; K315-K319 VanDerWaalsContact O-N 3.1Å; E316-K319 WeakPolarHBondContact O-CB 3.41Å; E316-K319 PolarHBondContact O-N 3.01Å; E316-K319 VanDerWaalsContact O-N 3.14Å; K319-A322 PolarHBondContact O-N 3.44Å; K319-A323 PolarHBondContact O-N 3.02Å |
| 320 | A | 85.8 | Confident | 85 | Confident | 38 Ų | 38 | 85.2 Ų | 85.2 | 31% | 0.314 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P257 E316 Y317 A323 Y324 | P257-A320 HydrophobicContact CB-CB 3.88Å; P257-A320 HydrophobicContact CG-CB 4.27Å; E316-A320 WeakPolarHBondContact O-CB 3.31Å; E316-A320 PolarHBondContact O-N 2.67Å; Y317-A320 PolarHBondContact O-N 2.93Å; A320-A323 PolarHBondContact O-N 3.47Å; A320-Y324 VanDerWaalsContact O-CB 3.26Å; A320-Y324 WeakPolarHBondContact O-CB 3.39Å; A320-Y324 PolarHBondContact O-N 3.24Å |
| 321 | L | 86.1 | Confident | 84.5 | Confident | 35 Ų | 35 | 90 Ų | 90 | 18% | 0.183 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 175.2 | -177.6 | 62.9 | 0 | 0 | 0 | 112.1 | P257 Y317 L318 R325 | P257-L321 HydrophobicContact CG-CB 4.23Å; P257-L321 HydrophobicContact CG-CD1 4.42Å; Y317-L321 HydrophobicContact CE1-CD2 4.2Å; Y317-L321 VanDerWaalsContact O-CB 3.26Å; Y317-L321 WeakPolarHBondContact O-CB 3.26Å; Y317-L321 PolarHBondContact O-N 3.19Å; L318-L321 PolarHBondContact O-N 3.41Å; L321-R325 WeakPolarHBondContact O-CB 3.34Å; L321-R325 VanDerWaalsContact O-CG 3.28Å; L321-R325 WeakPolarHBondContact O-CG 3.46Å; L321-R325 PolarHBondContact O-N 3.41Å |
| 322 | A | 85.6 | Confident | 83.9 | Confident | 59 Ų | 59 | 86.2 Ų | 86.2 | 49% | 0.488 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.9 | -45.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L318 K319 Y324 R325 A326 | L318-A322 PolarHBondContact O-N 3.41Å; K319-A322 PolarHBondContact O-N 3.44Å; A322-Y324 PolarHBondContact O-N 3.36Å; A322-R325 PolarHBondContact O-N 2.91Å; A322-A326 PolarHBondContact O-N 2.85Å |
| 323 | A | 85.3 | Confident | 83.3 | Confident | 60 Ų | 60 | 86.3 Ų | 86.3 | 50% | 0.496 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K319 A320 A326 S327 | K319-A323 PolarHBondContact O-N 3.02Å; A320-A323 PolarHBondContact O-N 3.47Å; A323-A326 PolarHBondContact O-N 2.91Å; A323-S327 WeakPolarHBondContact O-CB 3.34Å; A323-S327 PolarHBondContact O-N 3.01Å |
| 324 | Y | 86 | Confident | 82.7 | Confident | 66 Ų | 66 | 87.5 Ų | 87.5 | 26% | 0.259 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 175.7 | -179.3 | -112.8 | 0 | 0 | 0 | 111.5 | N255 A320 A322 A326 S327 L328 | N255-Y324 HydrophobicContact CB-CE2 4.45Å; A320-Y324 VanDerWaalsContact O-CB 3.26Å; A320-Y324 WeakPolarHBondContact O-CB 3.39Å; A320-Y324 PolarHBondContact O-N 3.24Å; A322-Y324 PolarHBondContact O-N 3.36Å; Y324-A326 PolarHBondContact O-N 3.25Å; Y324-S327 WeakPolarHBondContact CA-OG 3.16Å; Y324-S327 PolarHBondContact O-N 3.23Å; Y324-S327 VanDerWaalsContact O-N 3.15Å; Y324-S327 PolarHBondContact O-OG 2.82Å; Y324-L328 HydrophobicContact CD1-CD1 4.12Å; Y324-L328 HydrophobicContact CE1-CD1 3.63Å; Y324-L328 HydrophobicContact CE1-CG 4.3Å; Y324-L328 HydrophobicContact CE2-CD2 4.42Å; Y324-L328 HydrophobicContact CE2-CG 4.38Å; Y324-L328 WeakPolarHBondContact O-CG 3.44Å; Y324-L328 PolarHBondContact O-N 3.24Å |
| 325 | R | 84.5 | Confident | 82.1 | Confident | 165 Ų | 165 | 86.8 Ų | 86.8 | 62% | 0.623 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.2 | -44.9 | 174 | -74.9 | 170.8 | 175.4 | -173.2 | -3 | 112.1 | L321 A322 S327 L328 V329 | L321-R325 WeakPolarHBondContact O-CB 3.34Å; L321-R325 VanDerWaalsContact O-CG 3.28Å; L321-R325 WeakPolarHBondContact O-CG 3.46Å; L321-R325 PolarHBondContact O-N 3.41Å; A322-R325 PolarHBondContact O-N 2.91Å; R325-S327 VanDerWaalsContact C-N 3.35Å; R325-S327 PolarHBondContact O-N 3.47Å; R325-L328 PolarHBondContact O-N 3.4Å; R325-V329 WeakPolarHBondContact O-CG2 3.45Å; R325-V329 PolarHBondContact O-N 2.88Å; R325-V329 VanDerWaalsContact O-N 3.16Å |
| 326 | A | 82.4 | Confident | 81.4 | Confident | 60 Ų | 60 | 81.9 Ų | 81.9 | 50% | 0.496 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | A322 A323 Y324 L328 V329 S330 | A322-A326 PolarHBondContact O-N 2.85Å; A323-A326 PolarHBondContact O-N 2.91Å; Y324-A326 PolarHBondContact O-N 3.25Å; A326-L328 PolarHBondContact O-N 2.9Å; A326-V329 PolarHBondContact O-N 3.39Å; A326-S330 PolarHBondContact O-N 3.27Å; A326-S330 PolarHBondContact O-OG 2.74Å |
| 327 | S | 78.7 | Confident | 80.8 | Confident | 56 Ų | 56 | 77.6 Ų | 77.6 | 39% | 0.392 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.4 | -31.9 | 179 | 75.7 | 0 | 0 | 0 | 0 | 113.6 | A323 Y324 R325 S330 K331 | A323-S327 WeakPolarHBondContact O-CB 3.34Å; A323-S327 PolarHBondContact O-N 3.01Å; Y324-S327 WeakPolarHBondContact CA-OG 3.16Å; Y324-S327 PolarHBondContact O-N 3.23Å; Y324-S327 VanDerWaalsContact O-N 3.15Å; Y324-S327 PolarHBondContact O-OG 2.82Å; R325-S327 VanDerWaalsContact C-N 3.35Å; R325-S327 PolarHBondContact O-N 3.47Å; S327-S330 WeakPolarHBondContact CA-OG 3.37Å; S327-S330 PolarHBondContact O-OG 3.39Å; S327-K331 VanDerWaalsContact O-CB 3.27Å; S327-K331 WeakPolarHBondContact O-CB 3.42Å; S327-K331 PolarHBondContact O-N 2.96Å |
| 328 | L | 81.9 | Confident | 80.2 | Confident | 86 Ų | 86 | 81.7 Ų | 81.7 | 45% | 0.45 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.6 | -42 | 172.2 | -71.9 | 176.5 | 0 | 0 | 0 | 111.1 | Y324 R325 A326 K331 A332 | Y324-L328 HydrophobicContact CD1-CD1 4.12Å; Y324-L328 HydrophobicContact CE1-CD1 3.63Å; Y324-L328 HydrophobicContact CE1-CG 4.3Å; Y324-L328 HydrophobicContact CE2-CD2 4.42Å; Y324-L328 HydrophobicContact CE2-CG 4.38Å; Y324-L328 WeakPolarHBondContact O-CG 3.44Å; Y324-L328 PolarHBondContact O-N 3.24Å; R325-L328 PolarHBondContact O-N 3.4Å; A326-L328 PolarHBondContact O-N 2.9Å; L328-K331 PolarHBondContact O-N 3.38Å; L328-A332 WeakPolarHBondContact O-CB 3.46Å; L328-A332 PolarHBondContact O-N 3.25Å |
| 329 | V | 80.6 | Confident | 79.5 | Confident | 105 Ų | 105 | 79.2 Ų | 79.2 | 64% | 0.636 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.9 | -45.1 | 176.7 | 174.4 | 0 | 0 | 0 | 0 | 111 | R325 A326 K331 A332 A333 | R325-V329 WeakPolarHBondContact O-CG2 3.45Å; R325-V329 PolarHBondContact O-N 2.88Å; R325-V329 VanDerWaalsContact O-N 3.16Å; A326-V329 PolarHBondContact O-N 3.39Å; V329-K331 VanDerWaalsContact C-N 3.35Å; V329-K331 PolarHBondContact O-N 2.84Å; V329-A332 PolarHBondContact O-N 2.94Å; V329-A333 WeakPolarHBondContact O-CB 3.5Å; V329-A333 PolarHBondContact O-N 2.64Å |
| 330 | S | 73.4 | Confident | 78.8 | Confident | 73 Ų | 73 | 77.2 Ų | 77.2 | 51% | 0.51 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67 | -34.8 | 176.9 | 65.7 | 0 | 0 | 0 | 0 | 112.5 | A326 S327 A333 A334 | A326-S330 PolarHBondContact O-N 3.27Å; A326-S330 PolarHBondContact O-OG 2.74Å; S327-S330 WeakPolarHBondContact CA-OG 3.37Å; S327-S330 PolarHBondContact O-OG 3.39Å; S330-A333 PolarHBondContact O-N 3.5Å; S330-A334 WeakPolarHBondContact O-CB 3.39Å; S330-A334 PolarHBondContact O-N 3.34Å |
| 331 | K | 77.4 | Confident | 78.4 | Confident | 125 Ų | 125 | 79.5 Ų | 79.5 | 54% | 0.543 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.7 | -48.2 | 172.9 | -168.6 | -172 | -178.4 | -114.6 | 0 | 111 | S327 L328 V329 A333 A334 E335 | S327-K331 VanDerWaalsContact O-CB 3.27Å; S327-K331 WeakPolarHBondContact O-CB 3.42Å; S327-K331 PolarHBondContact O-N 2.96Å; L328-K331 PolarHBondContact O-N 3.38Å; V329-K331 VanDerWaalsContact C-N 3.35Å; V329-K331 PolarHBondContact O-N 2.84Å; K331-A333 VanDerWaalsContact C-N 3.29Å; K331-A333 PolarHBondContact O-N 3.04Å; K331-A334 PolarHBondContact O-N 3.36Å; K331-E335 WeakPolarHBondContact CE-OE2 3.46Å; K331-E335 IonicContact NZ-OE2 2.69Å; K331-E335 PolarHBondContact NZ-OE2 3.45Å; K331-E335 VanDerWaalsContact O-CB 3.29Å; K331-E335 WeakPolarHBondContact O-CB 3.41Å; K331-E335 PolarHBondContact O-N 3.37Å |
| 332 | A | 76.2 | Confident | 77.9 | Confident | 59 Ų | 59 | 82.6 Ų | 82.6 | 49% | 0.488 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.3 | -37.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L328 V329 S336 | L328-A332 WeakPolarHBondContact O-CB 3.46Å; L328-A332 PolarHBondContact O-N 3.25Å; V329-A332 PolarHBondContact O-N 2.94Å; A332-S336 VanDerWaalsContact O-CB 3.29Å; A332-S336 WeakPolarHBondContact O-CB 3.24Å; A332-S336 PolarHBondContact O-N 3.3Å |
| 333 | A | 74.8 | Confident | 77.6 | Confident | 60 Ų | 60 | 88.6 Ų | 88.6 | 50% | 0.496 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V329 S330 K331 S336 A337 | V329-A333 WeakPolarHBondContact O-CB 3.5Å; V329-A333 PolarHBondContact O-N 2.64Å; S330-A333 PolarHBondContact O-N 3.5Å; K331-A333 VanDerWaalsContact C-N 3.29Å; K331-A333 PolarHBondContact O-N 3.04Å; A333-S336 PolarHBondContact O-N 2.95Å; A333-A337 WeakPolarHBondContact O-CB 3.31Å; A333-A337 PolarHBondContact O-N 2.87Å |
| 334 | A | 74.6 | Confident | 77.2 | Confident | 58 Ų | 58 | 89.9 Ų | 89.9 | 48% | 0.479 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S330 K331 S336 A337 E338 | S330-A334 WeakPolarHBondContact O-CB 3.39Å; S330-A334 PolarHBondContact O-N 3.34Å; K331-A334 PolarHBondContact O-N 3.36Å; A334-S336 VanDerWaalsContact C-N 3.27Å; A334-S336 PolarHBondContact O-N 2.93Å; A334-A337 PolarHBondContact O-N 3.39Å; A334-A337 VanDerWaalsContact O-N 3.17Å; A334-E338 WeakPolarHBondContact O-CB 3.36Å; A334-E338 PolarHBondContact O-N 3.5Å |
| 335 | E | 74.6 | Confident | 76.9 | Confident | 111 Ų | 111 | 90.6 Ų | 90.6 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -35.5 | 177.6 | -156.7 | 171.6 | 108.8 | 0 | 0 | 111.2 | K331 A339 | K331-E335 WeakPolarHBondContact CE-OE2 3.46Å; K331-E335 IonicContact NZ-OE2 2.69Å; K331-E335 PolarHBondContact NZ-OE2 3.45Å; K331-E335 VanDerWaalsContact O-CB 3.29Å; K331-E335 WeakPolarHBondContact O-CB 3.41Å; K331-E335 PolarHBondContact O-N 3.37Å; E335-A339 VanDerWaalsContact O-CB 3.3Å; E335-A339 WeakPolarHBondContact O-CB 3.28Å; E335-A339 PolarHBondContact O-N 2.84Å |
| 336 | S | 71.8 | Confident | 76.3 | Confident | 62 Ų | 62 | 89.5 Ų | 89.5 | 43% | 0.434 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.5 | -43.7 | 171.9 | -171 | 0 | 0 | 0 | 0 | 113 | A332 A333 A334 A339 Q340 | A332-S336 VanDerWaalsContact O-CB 3.29Å; A332-S336 WeakPolarHBondContact O-CB 3.24Å; A332-S336 PolarHBondContact O-N 3.3Å; A333-S336 PolarHBondContact O-N 2.95Å; A334-S336 VanDerWaalsContact C-N 3.27Å; A334-S336 PolarHBondContact O-N 2.93Å; S336-A339 PolarHBondContact O-N 2.96Å; S336-Q340 WeakPolarHBondContact O-CG 3.26Å; S336-Q340 PolarHBondContact O-N 3.5Å |
| 337 | A | 75.2 | Confident | 75.7 | Confident | 49 Ų | 49 | 93.3 Ų | 93.3 | 41% | 0.405 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A333 A334 Q340 T341 | A333-A337 WeakPolarHBondContact O-CB 3.31Å; A333-A337 PolarHBondContact O-N 2.87Å; A334-A337 PolarHBondContact O-N 3.39Å; A334-A337 VanDerWaalsContact O-N 3.17Å; A337-Q340 PolarHBondContact O-N 3.47Å; A337-T341 WeakPolarHBondContact O-CB 3.38Å; A337-T341 PolarHBondContact O-N 3.38Å; A337-T341 PolarHBondContact O-OG1 3.49Å |
| 338 | E | 73.8 | Confident | 75.3 | Confident | 128 Ų | 128 | 94.7 Ų | 94.7 | 60% | 0.598 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.4 | -45.3 | 173.1 | -167.9 | 178.7 | 147.8 | 0 | 0 | 110.7 | A334 Q340 T341 I342 | A334-E338 WeakPolarHBondContact O-CB 3.36Å; A334-E338 PolarHBondContact O-N 3.5Å; E338-Q340 VanDerWaalsContact C-N 3.33Å; E338-Q340 PolarHBondContact O-N 2.94Å; E338-T341 PolarHBondContact O-N 3.45Å; E338-I342 HydrophobicContact CG-CD1 4.09Å; E338-I342 VanDerWaalsContact O-CG1 3.31Å; E338-I342 WeakPolarHBondContact O-CG1 3.36Å; E338-I342 PolarHBondContact O-N 2.98Å |
| 339 | A | 73.2 | Confident | 74.5 | Confident | 45 Ų | 45 | 96.5 Ų | 96.5 | 37% | 0.372 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.6 | -35.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E335 S336 R343 | E335-A339 VanDerWaalsContact O-CB 3.3Å; E335-A339 WeakPolarHBondContact O-CB 3.28Å; E335-A339 PolarHBondContact O-N 2.84Å; S336-A339 PolarHBondContact O-N 2.96Å; A339-R343 VanDerWaalsContact O-CG 3.31Å; A339-R343 WeakPolarHBondContact O-CG 3.47Å; A339-R343 PolarHBondContact O-N 3.11Å |
| 340 | Q | 73.1 | Confident | 73.4 | Confident | 122 Ų | 122 | 94.4 Ų | 94.4 | 57% | 0.57 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.9 | -47.8 | 171.6 | -74.8 | 179.8 | 1.1 | 0 | 0 | 111.4 | S336 A337 E338 I342 R343 T344 | S336-Q340 WeakPolarHBondContact O-CG 3.26Å; S336-Q340 PolarHBondContact O-N 3.5Å; A337-Q340 PolarHBondContact O-N 3.47Å; E338-Q340 VanDerWaalsContact C-N 3.33Å; E338-Q340 PolarHBondContact O-N 2.94Å; Q340-I342 VanDerWaalsContact C-N 3.33Å; Q340-I342 PolarHBondContact O-N 2.89Å; Q340-R343 WeakPolarHBondContact O-CB 3.47Å; Q340-R343 PolarHBondContact O-N 3.25Å; Q340-R343 VanDerWaalsContact O-N 3.14Å; Q340-T344 PolarHBondContact O-N 2.87Å; Q340-T344 PolarHBondContact O-OG1 3.2Å |
| 341 | T | 77.4 | Confident | 72.5 | Confident | 86 Ų | 86 | 95.2 Ų | 95.2 | 53% | 0.528 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -56.1 | -46.2 | 177.2 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | A337 E338 R343 T344 V345 | A337-T341 WeakPolarHBondContact O-CB 3.38Å; A337-T341 PolarHBondContact O-N 3.38Å; A337-T341 PolarHBondContact O-OG1 3.49Å; E338-T341 PolarHBondContact O-N 3.45Å; T341-R343 VanDerWaalsContact C-N 3.35Å; T341-R343 PolarHBondContact O-N 3.48Å; T341-T344 PolarHBondContact O-N 2.85Å; T341-V345 WeakPolarHBondContact O-CG2 3.36Å; T341-V345 PolarHBondContact O-N 2.89Å |
| 342 | I | 76.1 | Confident | 71.4 | Confident | 99 Ų | 99 | 94.5 Ų | 94.5 | 51% | 0.508 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 178.3 | -68.7 | 166.4 | 0 | 0 | 0 | 111.4 | E338 Q340 Q346 | E338-I342 HydrophobicContact CG-CD1 4.09Å; E338-I342 VanDerWaalsContact O-CG1 3.31Å; E338-I342 WeakPolarHBondContact O-CG1 3.36Å; E338-I342 PolarHBondContact O-N 2.98Å; Q340-I342 VanDerWaalsContact C-N 3.33Å; Q340-I342 PolarHBondContact O-N 2.89Å; I342-Q346 WeakPolarHBondContact O-CB 3.26Å; I342-Q346 PolarHBondContact O-N 3.14Å; I342-Q346 VanDerWaalsContact O-N 3.09Å |
| 343 | R | 78.5 | Confident | 70.1 | Confident | 186 Ų | 186 | 96 Ų | 96 | 70% | 0.702 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.3 | -47.7 | 175.3 | -76.4 | 173.4 | 178.5 | -178.8 | 0.3 | 112.1 | A339 Q340 T341 V345 Q346 Q347 | A339-R343 VanDerWaalsContact O-CG 3.31Å; A339-R343 WeakPolarHBondContact O-CG 3.47Å; A339-R343 PolarHBondContact O-N 3.11Å; Q340-R343 WeakPolarHBondContact O-CB 3.47Å; Q340-R343 PolarHBondContact O-N 3.25Å; Q340-R343 VanDerWaalsContact O-N 3.14Å; T341-R343 VanDerWaalsContact C-N 3.35Å; T341-R343 PolarHBondContact O-N 3.48Å; R343-V345 PolarHBondContact O-N 2.91Å; R343-Q346 PolarHBondContact O-N 3.44Å; R343-Q347 WeakPolarHBondContact O-CB 3.29Å; R343-Q347 PolarHBondContact O-N 3.25Å |
| 344 | T | 78 | Confident | 69 | Low | 86 Ų | 86 | 100.5 Ų | 100.5 | 53% | 0.528 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.2 | -48.7 | 179.6 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | Q340 T341 Q346 Q347 T348 | Q340-T344 PolarHBondContact O-N 2.87Å; Q340-T344 PolarHBondContact O-OG1 3.2Å; T341-T344 PolarHBondContact O-N 2.85Å; T344-Q346 VanDerWaalsContact C-N 3.33Å; T344-Q346 PolarHBondContact O-N 2.99Å; T344-Q347 PolarHBondContact O-N 3.06Å; T344-Q347 VanDerWaalsContact O-N 3.16Å; T344-T348 PolarHBondContact O-N 3.15Å; T344-T348 PolarHBondContact O-OG1 3.36Å; T344-T348 VanDerWaalsContact O-OG1 3.11Å |
| 345 | V | 78.3 | Confident | 67.4 | Low | 82 Ų | 82 | 102.3 Ų | 102.3 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.5 | -42.5 | 178 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | T341 R343 Q347 T348 L349 | T341-V345 WeakPolarHBondContact O-CG2 3.36Å; T341-V345 PolarHBondContact O-N 2.89Å; R343-V345 PolarHBondContact O-N 2.91Å; V345-Q347 VanDerWaalsContact C-N 3.33Å; V345-Q347 PolarHBondContact O-N 2.81Å; V345-T348 PolarHBondContact O-N 3.38Å; V345-L349 HydrophobicContact CG1-CD1 4.05Å; V345-L349 VanDerWaalsContact O-CG 3.31Å; V345-L349 WeakPolarHBondContact O-CG 3.3Å; V345-L349 PolarHBondContact O-N 2.95Å; V345-L349 VanDerWaalsContact O-N 3.14Å |
| 346 | Q | 72 | Confident | 66.3 | Low | 142 Ų | 142 | 103.7 Ų | 103.7 | 66% | 0.664 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.4 | -35.4 | 177.3 | -174.5 | 161.4 | 93.7 | 0 | 0 | 112.6 | I342 R343 T344 A350 | I342-Q346 WeakPolarHBondContact O-CB 3.26Å; I342-Q346 PolarHBondContact O-N 3.14Å; I342-Q346 VanDerWaalsContact O-N 3.09Å; R343-Q346 PolarHBondContact O-N 3.44Å; T344-Q346 VanDerWaalsContact C-N 3.33Å; T344-Q346 PolarHBondContact O-N 2.99Å; Q346-A350 PolarHBondContact O-N 2.92Å; Q346-A350 VanDerWaalsContact O-N 3.13Å |
| 347 | Q | 69.6 | Low | 65.1 | Low | 139 Ų | 139 | 103.9 Ų | 103.9 | 65% | 0.65 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.3 | -43.9 | 176.8 | -168 | 169.9 | 3 | 0 | 0 | 112.1 | R343 T344 V345 L349 A350 S351 | R343-Q347 WeakPolarHBondContact O-CB 3.29Å; R343-Q347 PolarHBondContact O-N 3.25Å; T344-Q347 PolarHBondContact O-N 3.06Å; T344-Q347 VanDerWaalsContact O-N 3.16Å; V345-Q347 VanDerWaalsContact C-N 3.33Å; V345-Q347 PolarHBondContact O-N 2.81Å; Q347-L349 VanDerWaalsContact C-N 3.33Å; Q347-L349 PolarHBondContact O-N 3.36Å; Q347-A350 PolarHBondContact O-N 3.49Å; Q347-S351 PolarHBondContact O-N 3.26Å; Q347-S351 PolarHBondContact O-OG 2.95Å |
| 348 | T | 71.2 | Confident | 63.4 | Low | 86 Ų | 86 | 110.1 Ų | 110.1 | 53% | 0.528 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -58.7 | -43.4 | 175.1 | -54 | 0 | 0 | 0 | 0 | 111.9 | T344 V345 A350 S351 T352 | T344-T348 PolarHBondContact O-N 3.15Å; T344-T348 PolarHBondContact O-OG1 3.36Å; T344-T348 VanDerWaalsContact O-OG1 3.11Å; V345-T348 PolarHBondContact O-N 3.38Å; T348-A350 PolarHBondContact O-N 3.48Å; T348-S351 PolarHBondContact O-N 3.36Å; T348-T352 PolarHBondContact O-N 3.37Å; T348-T352 PolarHBondContact O-OG1 2.95Å |
| 349 | L | 64.4 | Low | 62.6 | Low | 124 Ų | 124 | 110.1 Ų | 110.1 | 65% | 0.649 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65.2 | -38 | 177.5 | -69.6 | 170.3 | 0 | 0 | 0 | 112.3 | V345 Q347 T352 | V345-L349 HydrophobicContact CG1-CD1 4.05Å; V345-L349 VanDerWaalsContact O-CG 3.31Å; V345-L349 WeakPolarHBondContact O-CG 3.3Å; V345-L349 PolarHBondContact O-N 2.95Å; V345-L349 VanDerWaalsContact O-N 3.14Å; Q347-L349 VanDerWaalsContact C-N 3.33Å; Q347-L349 PolarHBondContact O-N 3.36Å; L349-T352 PolarHBondContact O-N 2.95Å |
| 350 | A | 58.6 | Low | 61.2 | Low | 60 Ų | 60 | 116.1 Ų | 116.1 | 50% | 0.496 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -63.9 | -44.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q346 Q347 T348 T352 S353 | Q346-A350 PolarHBondContact O-N 2.92Å; Q346-A350 VanDerWaalsContact O-N 3.13Å; Q347-A350 PolarHBondContact O-N 3.49Å; T348-A350 PolarHBondContact O-N 3.48Å; A350-T352 PolarHBondContact O-N 3.34Å; A350-S353 WeakPolarHBondContact O-CB 3.17Å; A350-S353 PolarHBondContact O-N 3.43Å; A350-S353 PolarHBondContact O-OG 2.8Å |
| 351 | S | 54.8 | Low | 60.2 | Low | 91 Ų | 91 | 115.5 Ų | 115.5 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -63.7 | -20.3 | 179.7 | -65.7 | 0 | 0 | 0 | 0 | 114.6 | Q347 T348 S353 | Q347-S351 PolarHBondContact O-N 3.26Å; Q347-S351 PolarHBondContact O-OG 2.95Å; T348-S351 PolarHBondContact O-N 3.36Å; S351-S353 PolarHBondContact O-N 2.84Å |
| 352 | T | 52.9 | Low | 58.5 | Low | 110 Ų | 110 | 118 Ų | 118 | 68% | 0.675 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 0.9 | 179.9 | -41.9 | 0 | 0 | 0 | 0 | 112.7 | T348 L349 A350 | T348-T352 PolarHBondContact O-N 3.37Å; T348-T352 PolarHBondContact O-OG1 2.95Å; L349-T352 PolarHBondContact O-N 2.95Å; A350-T352 PolarHBondContact O-N 3.34Å |
| 353 | S | 49.6 | Very low | 57.1 | Low | 89 Ų | 89 | 118.9 Ų | 118.9 | 62% | 0.622 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -5.5 | -175.1 | 66.5 | 0 | 0 | 0 | 0 | 116.1 | A350 S351 | A350-S353 WeakPolarHBondContact O-CB 3.17Å; A350-S353 PolarHBondContact O-N 3.43Å; A350-S353 PolarHBondContact O-OG 2.8Å; S351-S353 PolarHBondContact O-N 2.84Å |
| 354 | L | 50.9 | Low | 54.9 | Low | 156 Ų | 156 | 118 Ų | 118 | 82% | 0.817 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -126 | 51.3 | -170.8 | -68.3 | 179.1 | 0 | 0 | 0 | 115 | ||
| 355 | S | 40.7 | Very low | 52.9 | Low | 96 Ų | 96 | 119.5 Ų | 119.5 | 67% | 0.671 | 71% | 0.706 | S | S | * | * | trans | -162.8 | 106.6 | 160 | 35.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 356 | P | 52.7 | Low | 50.7 | Low | 139 Ų | 139 | 124.2 Ų | 124.2 | 90% | 0.903 | 72% | 0.723 | S | S | * | * | trans | -89.6 | 116.8 | 166.1 | 32.6 | -29.1 | 0 | 0 | 0 | 111.4 | ||||
| 357 | G | 46.9 | Very low | 49 | Very low | 66 Ų | 66 | 125.4 Ų | 125.4 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | trans | 94.5 | 138.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 358 | L | 39.8 | Very low | 48.2 | Very low | 180 Ų | 180 | 124.4 Ų | 124.4 | 94% | 0.942 | 73% | 0.734 | S | S | * | * | cis | -121.8 | 151.1 | 30.7 | -77.3 | 157.2 | 0 | 0 | 0 | 114.5 | ||||
| 359 | V | 55.5 | Low | 46.2 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 78% | 0.782 | 75% | 0.746 | S | S | * | * | trans | -105.7 | 134.9 | 163 | -70.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 360 | L | 43.7 | Very low | 44.9 | Very low | 171 Ų | 171 | 127.3 Ų | 127.3 | 90% | 0.895 | 76% | 0.756 | S | S | * | * | trans | -169.6 | 167.4 | 157.9 | -121 | 69.8 | 0 | 0 | 0 | 107.4 | ||||
| 361 | P | 52.7 | Low | 44.7 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | -125.9 | 166.8 | -126 | 20.9 | 4.6 | 0 | 0 | 0 | 115.2 | |||||
| 362 | T | 41.9 | Very low | 43.5 | Very low | 137 Ų | 137 | 129.9 Ų | 129.9 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -76.8 | 128.5 | 171.7 | -29.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 363 | P | 46 | Very low | 42.6 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -78.5 | 158.7 | 160.3 | 32.6 | -32.4 | 0 | 0 | 0 | 111.3 | ||||
| 364 | H | 32.3 | Very low | 41.9 | Very low | 167 Ų | 167 | 129.3 Ų | 129.3 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -109.3 | -177.8 | -169.2 | -174.1 | 63.5 | 0 | 0 | 0 | 113.1 | ||||
| 365 | N | 35.6 | Very low | 41.1 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 63% | 0.626 | 78% | 0.777 | S | S | * | * | trans | 76.2 | 137.9 | 176.6 | -99.3 | 14.3 | 0 | 0 | 0 | 116 | ||||
| 366 | Q | 33.1 | Very low | 40.8 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | cis | -134.8 | 168.4 | 17.4 | -63 | -178.4 | 66.5 | 0 | 0 | 115 | ||||
| 367 | H | 36.6 | Very low | 39.8 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -69.5 | -175.2 | 176.8 | -81.8 | -111.6 | 0 | 0 | 0 | 115.2 | ||||
| 368 | P | 52.8 | Low | 39.1 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | cis | -121.6 | 179.4 | -22.8 | 20.5 | 4.1 | 0 | 0 | 0 | 111.7 | ||||
| 369 | A | 28.6 | Very low | 38.8 | Very low | 96 Ų | 96 | 133.3 Ų | 133.3 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | cis | -163.8 | 175.9 | 49.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 370 | M | 37.6 | Very low | 37.5 | Very low | 174 Ų | 174 | 131.5 Ų | 131.5 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | trans | -124.3 | -173.6 | -170.7 | -74.1 | -92.7 | -74.7 | 0 | 0 | 109.8 | ||||
| 371 | P | 54.4 | Low | 37 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 69% | 0.688 | 76% | 0.758 | S | S | * | * | cis | -123.7 | -168 | -6.2 | 27.6 | -1.8 | 0 | 0 | 0 | 111.3 | ||||
| 372 | S | 30.1 | Very low | 37.4 | Very low | 100 Ų | 100 | 131 Ų | 131 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | cis | -165.4 | 156.3 | 31.8 | -44.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 373 | A | 33.7 | Very low | 36.9 | Very low | 94 Ų | 94 | 136.1 Ų | 136.1 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | trans | 59.8 | 142.3 | 145.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 374 | S | 35.3 | Very low | 36.2 | Very low | 93 Ų | 93 | 134.7 Ų | 134.7 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | cis | -168.5 | 149 | -11.3 | -102 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 375 | Q | 33.8 | Very low | 36.3 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | 55 | 145.5 | 144 | -67.8 | 170.1 | -70.8 | 0 | 0 | 120.5 | ||||
| 376 | A | 33.3 | Very low | 36.2 | Very low | 79 Ų | 79 | 133.3 Ų | 133.3 | 65% | 0.653 | 77% | 0.768 | S | S | * | * | cis | -167.3 | 175.4 | -7.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 377 | L | 31.9 | Very low | 36.7 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | 27.7 | 148 | 145.7 | -86.2 | 83.4 | 0 | 0 | 0 | 122 | ||||
| 378 | Q | 33.6 | Very low | 36.5 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 64% | 0.64 | 77% | 0.77 | S | S | * | * | cis | 179.4 | 151.3 | -16.2 | -127.5 | -178.3 | 37.9 | 0 | 0 | 109.8 | ||||
| 379 | Q | 32.6 | Very low | 36.4 | Very low | 175 Ų | 175 | 132 Ų | 132 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 63.2 | 159.1 | 162 | -52.5 | 179.5 | 60.3 | 0 | 0 | 116 | ||||
| 380 | A | 29 | Very low | 36.6 | Very low | 90 Ų | 90 | 136 Ų | 136 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | cis | -151.8 | 177.4 | 13.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 381 | L | 32.8 | Very low | 36.5 | Very low | 165 Ų | 165 | 136 Ų | 136 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -108.6 | -173 | 171.3 | -107.7 | 72.9 | 0 | 0 | 0 | 109.8 | ||||
| 382 | P | 60 | Low | 35.5 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | cis | -138 | 171.8 | -42.1 | 38.2 | -22.9 | 0 | 0 | 0 | 113.7 | ||||
| 383 | R | 31.8 | Very low | 35.6 | Very low | 243 Ų | 243 | 143.4 Ų | 143.4 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | trans | -158 | 150.4 | 144.2 | -147.5 | 70.6 | -175.9 | -170.8 | 0.5 | 112.9 | ||||
| 384 | A | 31.7 | Very low | 35.7 | Very low | 90 Ų | 90 | 145.7 Ų | 145.7 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | trans | -123.9 | 157.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 385 | I | 33.1 | Very low | 35.5 | Very low | 170 Ų | 170 | 145 Ų | 145 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -153.2 | 145.4 | 162.9 | -94.3 | 141 | 0 | 0 | 0 | 108.3 | ||||
| 386 | A | 33.6 | Very low | 35.6 | Very low | 85 Ų | 85 | 139.8 Ų | 139.8 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | trans | -134.4 | 161.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 387 | P | 44.7 | Very low | 35.5 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | -147.8 | -154.9 | 104.4 | 39.5 | -21.5 | 0 | 0 | 0 | 115.1 | |||||
| 388 | K | 33.1 | Very low | 35.7 | Very low | 197 Ų | 197 | 141.9 Ų | 141.9 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | -94.4 | 167.4 | -160.9 | -92.4 | 76.4 | 172 | -174.7 | 0 | 115.4 | ||||
| 389 | P | 49.4 | Very low | 35.9 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -91.7 | 174.8 | 178 | 38.6 | -37.7 | 0 | 0 | 0 | 114.8 | ||||
| 390 | L | 34 | Very low | 36 | Very low | 179 Ų | 179 | 140.7 Ų | 140.7 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | trans | -133.1 | 159.9 | 168.5 | -79.8 | 172.6 | 0 | 0 | 0 | 111.7 | ||||
| 391 | Q | 35.7 | Very low | 36.1 | Very low | 175 Ų | 175 | 143.1 Ų | 143.1 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -110 | 176.7 | -178.1 | -63.9 | -169.6 | -0.2 | 0 | 0 | 113.3 | ||||
| 392 | M | 32.6 | Very low | 36.1 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 80% | 0.803 | 80% | 0.801 | S | S | * | * | trans | 128.5 | 149.4 | 162.7 | -72.3 | -73 | 98.3 | 0 | 0 | 111.2 | ||||
| 393 | R | 32.3 | Very low | 34.6 | Very low | 197 Ų | 197 | 141.8 Ų | 141.8 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | cis | -164.8 | 135.3 | -19.2 | 165.8 | 67.6 | 175.4 | 161.3 | 2 | 109.9 | ||||
| 394 | L | 34.6 | Very low | 34.7 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | -15.1 | 135.8 | 165.9 | -173.2 | 70.4 | 0 | 0 | 0 | 120.7 | ||||
| 395 | G | 32.3 | Very low | 34.7 | Very low | 77 Ų | 77 | 138.4 Ų | 138.4 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | 161.2 | 141 | 151.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 396 | G | 34.8 | Very low | 34.7 | Very low | 75 Ų | 75 | 134.7 Ų | 134.7 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | cis | 159.8 | 142 | -9.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 397 | S | 32.5 | Very low | 34.7 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | 81.8 | 168.4 | 171 | -150 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 398 | H | 35.1 | Very low | 34.2 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | -163.2 | 155.6 | -151.1 | 35.2 | -114.6 | 0 | 0 | 0 | 111.3 | ||||
| 399 | V | 38.1 | Very low | 34.1 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -160.5 | 156.2 | 159.6 | -102.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 400 | V | 35.2 | Very low | 33.5 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | trans | -133 | 147.4 | -176 | -179 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 401 | T | 31.2 | Very low | 33.3 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 87% | 0.871 | 80% | 0.801 | S | S | * | * | trans | -139.8 | 139.7 | 162.8 | -47 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 402 | S | 32.2 | Very low | 33.3 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -95.4 | 168 | -171.6 | 49.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 403 | V | 28.7 | Very low | 33.1 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | -124.8 | 132.2 | 168.2 | 170.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 404 | T | 33.7 | Very low | 33.4 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -85.9 | 135.4 | 178.8 | -55 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 405 | V | 32.6 | Very low | 34.2 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -130.6 | 127.9 | 156.1 | 176.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 406 | S | 32.6 | Very low | 34.4 | Very low | 91 Ų | 91 | 135.3 Ų | 135.3 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | trans | -95.8 | 148.5 | 176.4 | 52.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 407 | H | 34 | Very low | 34.4 | Very low | 193 Ų | 193 | 140.3 Ų | 140.3 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | trans | -152.2 | 150.6 | 151.8 | -105.3 | -168 | 0 | 0 | 0 | 110.4 | ||||
| 408 | Q | 34.6 | Very low | 34.6 | Very low | 187 Ų | 187 | 142 Ų | 142 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -131 | 137 | 178.2 | -57 | 174.9 | 37.3 | 0 | 0 | 108.8 | ||||
| 409 | N | 29.8 | Very low | 34.7 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | -158.5 | 165.4 | 142.5 | -150.3 | -7.3 | 0 | 0 | 0 | 110.5 | ||||
| 410 | M | 36.2 | Very low | 34.5 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | trans | -111 | 157.2 | -167.8 | -58.2 | -178.4 | 173.9 | 0 | 0 | 113.4 | ||||
| 411 | S | 31.2 | Very low | 34.7 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | 160.9 | 155.4 | 103.4 | -168.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 412 | S | 34.2 | Very low | 35.2 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | 79.1 | 122.6 | 152.6 | -51.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 413 | G | 30.2 | Very low | 35.7 | Very low | 81 Ų | 81 | 139.3 Ų | 139.3 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 137.8 | 90.1 | 162 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 414 | M | 37 | Very low | 36.3 | Very low | 178 Ų | 178 | 138.2 Ų | 138.2 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -127.8 | 157.8 | 166.8 | -90.3 | -72.8 | -174.6 | 0 | 0 | 107.5 | ||||
| 415 | P | 51.8 | Low | 36.3 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 69% | 0.688 | 81% | 0.811 | S | S | * | * | cis | -146.1 | 164.9 | 38.4 | 41.7 | -22 | 0 | 0 | 0 | 119.8 | ||||
| 416 | Q | 36.6 | Very low | 36.6 | Very low | 170 Ų | 170 | 133.1 Ų | 133.1 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | 35.2 | 122.2 | 142.5 | -64.2 | 175.7 | -101.9 | 0 | 0 | 122.6 | ||||
| 417 | Q | 34.4 | Very low | 37.8 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | 176.7 | 157.8 | 105.4 | -92 | -171.5 | 12.1 | 0 | 0 | 108.3 | |||||
| 418 | L | 36.9 | Very low | 37.9 | Very low | 144 Ų | 144 | 133.4 Ų | 133.4 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | cis | -166.4 | 133.3 | -18.1 | 168.4 | 63.5 | 0 | 0 | 0 | 108.1 | ||||
| 419 | L | 36.9 | Very low | 38.1 | Very low | 158 Ų | 158 | 128.8 Ų | 128.8 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | trans | 47.3 | 105.4 | 155 | -166.4 | 66.7 | 0 | 0 | 0 | 122.4 | ||||
| 420 | G | 35.6 | Very low | 38.4 | Very low | 74 Ų | 74 | 126.3 Ų | 126.3 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | 83.9 | 166 | 130.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 421 | Q | 39.3 | Very low | 38.4 | Very low | 161 Ų | 161 | 122.2 Ų | 122.2 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | cis | -168.2 | 123.7 | -13.3 | 174.7 | 170.1 | 79 | 0 | 0 | 113 | ||||
| 422 | M | 40.9 | Very low | 38.8 | Very low | 174 Ų | 174 | 121.4 Ų | 121.4 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | 55.4 | 167.4 | 160.9 | -69.6 | -172.2 | -82.3 | 0 | 0 | 118.6 | ||||
| 423 | G | 41.7 | Very low | 38.8 | Very low | 73 Ų | 73 | 125.1 Ų | 125.1 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | cis | -155.9 | -146.9 | 2.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 424 | A | 42.8 | Very low | 39.4 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 93% | 0.934 | 81% | 0.811 | S | S | * | * | cis | -163.1 | 174.7 | 9.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 425 | G | 34.2 | Very low | 39.4 | Very low | 83 Ų | 83 | 125.6 Ų | 125.6 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | 115.1 | 120.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 426 | G | 37.5 | Very low | 39 | Very low | 73 Ų | 73 | 124.4 Ų | 124.4 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | cis | 142.2 | 169.9 | 3.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 427 | P | 58.9 | Low | 39.6 | Very low | 118 Ų | 118 | 122.9 Ų | 122.9 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | cis | -121.9 | -174.5 | -8.7 | 42.4 | -28.8 | 0 | 0 | 0 | 112.6 | ||||
| 428 | M | 36.1 | Very low | 40 | Very low | 172 Ų | 172 | 119.5 Ų | 119.5 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | 171.8 | 130.1 | 127.2 | -93.2 | -61.9 | -178.6 | 0 | 0 | 113.8 | |||||
| 429 | A | 37.3 | Very low | 40.7 | Very low | 90 Ų | 90 | 121.3 Ų | 121.3 | 74% | 0.744 | 82% | 0.816 | S | S | * | * | trans | 52.7 | 133.2 | 145.6 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 430 | A | 37.2 | Very low | 41.3 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | trans | 74.6 | 147.2 | 147.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 431 | G | 35.2 | Very low | 42 | Very low | 82 Ų | 82 | 124.2 Ų | 124.2 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | 121.2 | 100.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 432 | A | 39.3 | Very low | 42.9 | Very low | 89 Ų | 89 | 121.9 Ų | 121.9 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | trans | -101.4 | 142.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 433 | Q | 35.6 | Very low | 43.5 | Very low | 197 Ų | 197 | 118.1 Ų | 118.1 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | -176.5 | 160.8 | 117.8 | -100.4 | 163 | 101.7 | 0 | 0 | 113.2 | |||||
| 434 | S | 42.9 | Very low | 44.2 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -87.4 | 142.9 | -176.3 | -47.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 435 | T | 37.3 | Very low | 45 | Very low | 154 Ų | 154 | 124 Ų | 124 | 95% | 0.945 | 80% | 0.798 | S | S | * | * | trans | -159.4 | 169.2 | 140.7 | -3.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 436 | A | 43.6 | Very low | 46.2 | Very low | 82 Ų | 82 | 123.5 Ų | 123.5 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -132.4 | 162 | -149.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 437 | V | 47.3 | Very low | 47.4 | Very low | 138 Ų | 138 | 124.2 Ų | 124.2 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | 66.9 | 161.1 | 157.5 | -61.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 438 | S | 42.8 | Very low | 47.9 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | 75.2 | 86.1 | 169.9 | -57.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 439 | Q | 53.3 | Low | 49.4 | Very low | 183 Ų | 183 | 124 Ų | 124 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | 51.3 | 91 | 74.9 | -70.6 | -111.9 | 63.7 | 0 | 0 | 114.7 | |||||
| 440 | M | 47.8 | Very low | 51 | Low | 186 Ų | 186 | 126 Ų | 126 | 92% | 0.916 | 75% | 0.751 | S | S | * | * | trans | -153.1 | 128.9 | 136 | 59.1 | 174.4 | 94 | 0 | 0 | 109.5 | ||||
| 441 | S | 50.9 | Low | 52.9 | Low | 107 Ų | 107 | 124.6 Ų | 124.6 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 128.2 | 176.9 | -61.1 | 0 | 0 | 0 | 0 | 110.1 | ||
| 442 | P | 58.6 | Low | 54.9 | Low | 112 Ų | 112 | 127 Ų | 127 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 146.7 | 167.2 | 30 | -33.5 | 0 | 0 | 0 | 110.3 | M444 | P442-M444 PolarHBondContact O-N 2.79Š|
| 443 | P | 53.8 | Low | 57 | Low | 95 Ų | 95 | 129.2 Ų | 129.2 | 62% | 0.617 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 118.3 | -175.5 | 28.7 | -34.2 | 0 | 0 | 0 | 111.9 | Q445 S446 | P443-Q445 PolarHBondContact O-N 3.14Å; P443-S446 PolarHBondContact O-N 3.46Å; P443-S446 PolarHBondContact O-OG 3.4Å |
| 444 | M | 56.4 | Low | 59.4 | Low | 162 Ų | 162 | 125.5 Ų | 125.5 | 80% | 0.798 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -56.2 | -17.5 | -179.7 | -85.9 | -73.7 | -178.1 | 0 | 0 | 115.5 | P442 | P442-M444 PolarHBondContact O-N 2.79Å |
| 445 | Q | 58.8 | Low | 61.5 | Low | 148 Ų | 148 | 125.4 Ų | 125.4 | 69% | 0.692 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -67.1 | -33.8 | -179.8 | -70.7 | -175.2 | -5.1 | 0 | 0 | 113.9 | P443 Q448 Q449 | P443-Q445 PolarHBondContact O-N 3.14Å; Q445-Q448 PolarHBondContact O-N 3.1Å; Q445-Q449 PolarHBondContact O-N 3.34Å |
| 446 | S | 59.2 | Low | 63.9 | Low | 71 Ų | 71 | 123.1 Ų | 123.1 | 50% | 0.497 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -69.9 | -40.2 | -176.1 | 58.2 | 0 | 0 | 0 | 0 | 112.2 | P443 Q449 H450 | P443-S446 PolarHBondContact O-N 3.46Å; P443-S446 PolarHBondContact O-OG 3.4Å; S446-Q449 PolarHBondContact O-N 3.09Å; S446-H450 WeakPolarHBondContact O-CB 3.44Å; S446-H450 PolarHBondContact O-N 3.11Å |
| 447 | V | 63 | Low | 66 | Low | 89 Ų | 89 | 125.6 Ų | 125.6 | 54% | 0.539 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -61.4 | -46.2 | 176.4 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | Q449 H450 T451 | V447-Q449 PolarHBondContact O-N 2.86Å; V447-H450 PolarHBondContact O-N 2.93Å; V447-T451 PolarHBondContact O-N 3.29Å; V447-T451 PolarHBondContact O-OG1 3.39Å |
| 448 | Q | 69.4 | Low | 67.9 | Low | 149 Ų | 149 | 124.9 Ų | 124.9 | 70% | 0.696 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -65.4 | -38 | -177.5 | -165.1 | 172.1 | 23.8 | 0 | 0 | 112.8 | Q445 M452 | Q445-Q448 PolarHBondContact O-N 3.1Å; Q448-M452 PolarHBondContact O-N 3.44Å; Q448-M452 VanDerWaalsContact O-N 3.15Å |
| 449 | Q | 67.8 | Low | 70.2 | Confident | 137 Ų | 137 | 124.6 Ų | 124.6 | 64% | 0.64 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.1 | -43.7 | 172 | -69.8 | -175.4 | 21.2 | 0 | 0 | 111.7 | Q445 S446 V447 T451 M452 Q453 | Q445-Q449 PolarHBondContact O-N 3.34Å; S446-Q449 PolarHBondContact O-N 3.09Å; V447-Q449 PolarHBondContact O-N 2.86Å; Q449-T451 PolarHBondContact O-N 3.5Å; Q449-M452 PolarHBondContact O-N 3.27Å; Q449-Q453 WeakPolarHBondContact O-CB 3.46Å; Q449-Q453 PolarHBondContact O-N 2.9Å |
| 450 | H | 71.3 | Confident | 71.9 | Confident | 130 Ų | 130 | 122.4 Ų | 122.4 | 60% | 0.602 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.2 | -38.1 | 179.6 | -162.5 | -77.1 | 0 | 0 | 0 | 112.5 | S446 V447 Q453 Q454 | S446-H450 WeakPolarHBondContact O-CB 3.44Å; S446-H450 PolarHBondContact O-N 3.11Å; V447-H450 PolarHBondContact O-N 2.93Å; H450-Q453 PolarHBondContact O-N 3.34Å; H450-Q454 WeakPolarHBondContact O-CB 3.42Å; H450-Q454 PolarHBondContact O-N 3.3Å |
| 451 | T | 76.4 | Confident | 73.8 | Confident | 84 Ų | 84 | 119.9 Ų | 119.9 | 52% | 0.515 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.3 | -42 | 173 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | V447 Q449 Q454 L455 | V447-T451 PolarHBondContact O-N 3.29Å; V447-T451 PolarHBondContact O-OG1 3.39Å; Q449-T451 PolarHBondContact O-N 3.5Å; T451-Q454 PolarHBondContact O-N 2.99Å; T451-L455 WeakPolarHBondContact O-CB 3.27Å; T451-L455 PolarHBondContact O-N 2.96Å |
| 452 | M | 77.8 | Confident | 75.7 | Confident | 132 Ų | 132 | 120.7 Ų | 120.7 | 65% | 0.65 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.1 | -43.9 | 175.9 | -165.2 | -153.8 | -60.4 | 0 | 0 | 111.4 | Q448 Q449 Q454 L455 Q456 | Q448-M452 PolarHBondContact O-N 3.44Å; Q448-M452 VanDerWaalsContact O-N 3.15Å; Q449-M452 PolarHBondContact O-N 3.27Å; M452-Q454 VanDerWaalsContact C-N 3.32Å; M452-Q454 PolarHBondContact O-N 2.91Å; M452-L455 PolarHBondContact O-N 3.44Å; M452-Q456 PolarHBondContact O-N 3.38Å |
| 453 | Q | 83.6 | Confident | 77.2 | Confident | 135 Ų | 135 | 121 Ų | 121 | 63% | 0.631 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61.1 | -41.3 | 178.2 | -167 | 75.8 | 90.9 | 0 | 0 | 111.7 | Q449 H450 Q456 Q457 | Q449-Q453 WeakPolarHBondContact O-CB 3.46Å; Q449-Q453 PolarHBondContact O-N 2.9Å; H450-Q453 PolarHBondContact O-N 3.34Å; Q453-Q456 PolarHBondContact O-N 2.91Å; Q453-Q457 PolarHBondContact O-N 2.85Å |
| 454 | Q | 85.1 | Confident | 79 | Confident | 120 Ų | 120 | 122.1 Ų | 122.1 | 56% | 0.561 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.2 | -40 | 176.3 | -175.9 | 170.3 | 81.3 | 0 | 0 | 112.2 | H450 T451 M452 Q457 Q458 | H450-Q454 WeakPolarHBondContact O-CB 3.42Å; H450-Q454 PolarHBondContact O-N 3.3Å; T451-Q454 PolarHBondContact O-N 2.99Å; M452-Q454 VanDerWaalsContact C-N 3.32Å; M452-Q454 PolarHBondContact O-N 2.91Å; Q454-Q457 PolarHBondContact O-N 3.48Å; Q454-Q458 WeakPolarHBondContact O-CB 3.45Å; Q454-Q458 PolarHBondContact O-N 3.15Å |
| 455 | L | 86.6 | Confident | 80.7 | Confident | 112 Ų | 112 | 120.5 Ų | 120.5 | 59% | 0.586 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.1 | -40.5 | 175.5 | -168.9 | 74.9 | 0 | 0 | 0 | 111.6 | T451 M452 Q457 Q458 Q459 | T451-L455 WeakPolarHBondContact O-CB 3.27Å; T451-L455 PolarHBondContact O-N 2.96Å; M452-L455 PolarHBondContact O-N 3.44Å; L455-Q457 VanDerWaalsContact C-N 3.35Å; L455-Q457 PolarHBondContact O-N 3.07Å; L455-Q458 PolarHBondContact O-N 3.16Å; L455-Q459 WeakPolarHBondContact O-CB 3.46Å; L455-Q459 PolarHBondContact O-N 3.44Å |
| 456 | Q | 88.4 | Confident | 82.2 | Confident | 106 Ų | 106 | 119.2 Ų | 119.2 | 50% | 0.495 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.2 | -43.6 | 174 | -169.6 | 79.3 | 88.6 | 0 | 0 | 111.5 | M452 Q453 Q459 Q460 | M452-Q456 PolarHBondContact O-N 3.38Å; Q453-Q456 PolarHBondContact O-N 2.91Å; Q456-Q459 PolarHBondContact O-N 3.39Å; Q456-Q460 PolarHBondContact O-N 2.69Å |
| 457 | Q | 87.2 | Confident | 83.9 | Confident | 134 Ų | 134 | 122.3 Ų | 122.3 | 63% | 0.626 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.6 | -39.8 | 178.1 | -172.7 | 172.7 | 87.8 | 0 | 0 | 112.2 | Q453 Q454 L455 Q460 Q461 | Q453-Q457 PolarHBondContact O-N 2.85Å; Q454-Q457 PolarHBondContact O-N 3.48Å; L455-Q457 VanDerWaalsContact C-N 3.35Å; L455-Q457 PolarHBondContact O-N 3.07Å; Q457-Q460 PolarHBondContact O-N 2.95Å; Q457-Q461 WeakPolarHBondContact O-CB 3.43Å; Q457-Q461 PolarHBondContact O-N 3.01Å |
| 458 | Q | 87.8 | Confident | 85.3 | Confident | 123 Ų | 123 | 122.6 Ų | 122.6 | 58% | 0.575 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.8 | -40.6 | 174.2 | -175.4 | 172.8 | 87.5 | 0 | 0 | 111.8 | Q454 L455 Q461 Q462 | Q454-Q458 WeakPolarHBondContact O-CB 3.45Å; Q454-Q458 PolarHBondContact O-N 3.15Å; L455-Q458 PolarHBondContact O-N 3.16Å; Q458-Q461 PolarHBondContact O-N 3.31Å; Q458-Q462 WeakPolarHBondContact O-CB 3.5Å; Q458-Q462 PolarHBondContact O-N 2.95Å |
| 459 | Q | 90.4 | Very high | 86.5 | Confident | 101 Ų | 101 | 122 Ų | 122 | 47% | 0.472 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.9 | -43.2 | 174.3 | -175.5 | -178.9 | 84.6 | 0 | 0 | 111.9 | L455 Q456 Q462 Q463 | L455-Q459 WeakPolarHBondContact O-CB 3.46Å; L455-Q459 PolarHBondContact O-N 3.44Å; Q456-Q459 PolarHBondContact O-N 3.39Å; Q459-Q462 PolarHBondContact O-N 3.37Å; Q459-Q463 PolarHBondContact O-N 3.5Å |
| 460 | Q | 89.4 | Confident | 87.7 | Confident | 138 Ų | 138 | 120.6 Ų | 120.6 | 65% | 0.645 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.8 | -41.2 | 176.3 | -174.7 | 175.3 | 81.9 | 0 | 0 | 112 | Q456 Q457 Q462 Q463 M464 | Q456-Q460 PolarHBondContact O-N 2.69Å; Q457-Q460 PolarHBondContact O-N 2.95Å; Q460-Q462 VanDerWaalsContact C-N 3.33Å; Q460-Q462 PolarHBondContact O-N 2.74Å; Q460-Q463 PolarHBondContact O-N 3Å; Q460-M464 PolarHBondContact O-N 2.95Å |
| 461 | Q | 88.4 | Confident | 88.8 | Confident | 132 Ų | 132 | 118.2 Ų | 118.2 | 62% | 0.617 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.3 | -38.6 | 174.4 | -171.3 | 172 | 87.9 | 0 | 0 | 111.9 | Q457 Q458 M464 Q465 | Q457-Q461 WeakPolarHBondContact O-CB 3.43Å; Q457-Q461 PolarHBondContact O-N 3.01Å; Q458-Q461 PolarHBondContact O-N 3.31Å; Q461-M464 PolarHBondContact O-N 3.3Å; Q461-Q465 PolarHBondContact O-N 3.45Å |
| 462 | Q | 90.5 | Very high | 89.6 | Confident | 125 Ų | 125 | 120.4 Ų | 120.4 | 58% | 0.584 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.8 | -34 | 175.4 | -171.7 | 173.5 | 90.6 | 0 | 0 | 113.1 | Q458 Q459 Q460 Q466 | Q458-Q462 WeakPolarHBondContact O-CB 3.5Å; Q458-Q462 PolarHBondContact O-N 2.95Å; Q459-Q462 PolarHBondContact O-N 3.37Å; Q460-Q462 VanDerWaalsContact C-N 3.33Å; Q460-Q462 PolarHBondContact O-N 2.74Å; Q462-Q466 PolarHBondContact O-N 2.92Å; Q462-Q466 VanDerWaalsContact O-N 3.1Å |
| 463 | Q | 90.8 | Very high | 90.4 | Very high | 119 Ų | 119 | 119.6 Ų | 119.6 | 56% | 0.556 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.2 | -44 | 170.7 | -73.2 | -179.2 | 4.9 | 0 | 0 | 111.6 | Q459 Q460 Q465 Q466 H467 | Q459-Q463 PolarHBondContact O-N 3.5Å; Q460-Q463 PolarHBondContact O-N 3Å; Q463-Q465 VanDerWaalsContact C-N 3.33Å; Q463-Q465 PolarHBondContact O-N 2.58Å; Q463-Q466 PolarHBondContact O-N 2.82Å; Q463-H467 PolarHBondContact O-N 3.03Å |
| 464 | M | 91.3 | Very high | 90.9 | Very high | 117 Ų | 117 | 118.2 Ų | 118.2 | 58% | 0.576 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.9 | -39.9 | 176.9 | -170.2 | -85 | -77.1 | 0 | 0 | 111.8 | Q460 Q461 Q466 H467 L468 | Q460-M464 PolarHBondContact O-N 2.95Å; Q461-M464 PolarHBondContact O-N 3.3Å; M464-Q466 PolarHBondContact O-N 3.34Å; M464-H467 PolarHBondContact O-N 3.47Å; M464-L468 PolarHBondContact O-N 3.42Å |
| 465 | Q | 91.5 | Very high | 91.3 | Very high | 128 Ų | 128 | 117.7 Ų | 117.7 | 60% | 0.598 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59.2 | -44.6 | 173.1 | -167.2 | 93.1 | 100.8 | 0 | 0 | 112.2 | Q461 Q463 L468 Q469 | Q461-Q465 PolarHBondContact O-N 3.45Å; Q463-Q465 VanDerWaalsContact C-N 3.33Å; Q463-Q465 PolarHBondContact O-N 2.58Å; Q465-L468 PolarHBondContact O-N 2.97Å; Q465-Q469 PolarHBondContact O-N 2.89Å; Q465-Q469 VanDerWaalsContact O-N 3.08Å |
| 466 | Q | 91.3 | Very high | 91.6 | Very high | 121 Ų | 121 | 119 Ų | 119 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.5 | -40.5 | 176.2 | -77.2 | -174.7 | 87 | 0 | 0 | 112.4 | Q462 Q463 M464 L468 Q469 H470 | Q462-Q466 PolarHBondContact O-N 2.92Å; Q462-Q466 VanDerWaalsContact O-N 3.1Å; Q463-Q466 PolarHBondContact O-N 2.82Å; M464-Q466 PolarHBondContact O-N 3.34Å; Q466-L468 PolarHBondContact O-N 3.2Å; Q466-Q469 PolarHBondContact O-N 2.92Å; Q466-H470 WeakPolarHBondContact O-CB 3.5Å; Q466-H470 PolarHBondContact O-N 3.04Å |
| 467 | H | 93.2 | Very high | 91.9 | Very high | 137 Ų | 137 | 120.2 Ų | 120.2 | 63% | 0.634 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.2 | -42.9 | 176.7 | -174.7 | 76.3 | 0 | 0 | 0 | 111.7 | Q463 M464 Q469 H470 H471 | Q463-H467 PolarHBondContact O-N 3.03Å; M464-H467 PolarHBondContact O-N 3.47Å; H467-Q469 VanDerWaalsContact C-N 3.35Å; H467-Q469 PolarHBondContact O-N 3.22Å; H467-H470 PolarHBondContact O-N 2.85Å; H467-H471 WeakPolarHBondContact O-CB 3.32Å; H467-H471 PolarHBondContact O-N 3.37Å |
| 468 | L | 94.2 | Very high | 92.2 | Very high | 95 Ų | 95 | 119 Ų | 119 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63 | -39.4 | 175.1 | -176.6 | 61.7 | 0 | 0 | 0 | 112.3 | M464 Q465 Q466 H471 Q472 | M464-L468 PolarHBondContact O-N 3.42Å; Q465-L468 PolarHBondContact O-N 2.97Å; Q466-L468 PolarHBondContact O-N 3.2Å; L468-H471 PolarHBondContact O-N 3.5Å; L468-Q472 WeakPolarHBondContact O-CB 3.47Å; L468-Q472 PolarHBondContact O-N 3.36Å |
| 469 | Q | 92.8 | Very high | 92.5 | Very high | 137 Ų | 137 | 118.1 Ų | 118.1 | 64% | 0.64 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.9 | -40.6 | 175.4 | -174.8 | 172.8 | 92.8 | 0 | 0 | 112.1 | Q465 Q466 H467 Q472 M473 | Q465-Q469 PolarHBondContact O-N 2.89Å; Q465-Q469 VanDerWaalsContact O-N 3.08Å; Q466-Q469 PolarHBondContact O-N 2.92Å; H467-Q469 VanDerWaalsContact C-N 3.35Å; H467-Q469 PolarHBondContact O-N 3.22Å; Q469-Q472 PolarHBondContact O-N 3.4Å; Q469-M473 PolarHBondContact O-N 2.85Å |
| 470 | H | 93.8 | Very high | 92.6 | Very high | 107 Ų | 107 | 118.8 Ų | 118.8 | 50% | 0.495 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.7 | -44.8 | 174.3 | -172.5 | 98.5 | 0 | 0 | 0 | 111.5 | Q466 H467 Q472 M473 Q474 | Q466-H470 WeakPolarHBondContact O-CB 3.5Å; Q466-H470 PolarHBondContact O-N 3.04Å; H467-H470 PolarHBondContact O-N 2.85Å; H470-Q472 VanDerWaalsContact C-N 3.33Å; H470-Q472 PolarHBondContact O-N 3.37Å; H470-M473 WeakPolarHBondContact O-CB 3.28Å; H470-M473 PolarHBondContact O-N 3.2Å; H470-Q474 WeakPolarHBondContact O-CB 3.46Å; H470-Q474 PolarHBondContact O-N 2.96Å |
| 471 | H | 94.7 | Very high | 92.9 | Very high | 80 Ų | 80 | 117.6 Ų | 117.6 | 37% | 0.37 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.1 | -40.5 | 175.7 | -178.6 | 76.3 | 0 | 0 | 0 | 112.2 | H467 L468 Q474 Q475 | H467-H471 WeakPolarHBondContact O-CB 3.32Å; H467-H471 PolarHBondContact O-N 3.37Å; L468-H471 PolarHBondContact O-N 3.5Å; H471-Q474 PolarHBondContact O-N 3.48Å; H471-Q475 PolarHBondContact NE2-NE2 2.94Å; H471-Q475 PolarHBondContact O-N 3.23Å |
| 472 | Q | 94 | Very high | 93.2 | Very high | 129 Ų | 129 | 116.9 Ų | 116.9 | 60% | 0.603 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.7 | -42.5 | 173.8 | -174.5 | 179.9 | 97 | 0 | 0 | 112 | L468 Q469 H470 Q476 | L468-Q472 WeakPolarHBondContact O-CB 3.47Å; L468-Q472 PolarHBondContact O-N 3.36Å; Q469-Q472 PolarHBondContact O-N 3.4Å; H470-Q472 VanDerWaalsContact C-N 3.33Å; H470-Q472 PolarHBondContact O-N 3.37Å; Q472-Q476 WeakPolarHBondContact O-CB 3.31Å; Q472-Q476 PolarHBondContact O-N 3.16Å |
| 473 | M | 93.3 | Very high | 93.4 | Very high | 115 Ų | 115 | 114.4 Ų | 114.4 | 57% | 0.567 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.8 | -44.1 | 174.2 | -169.9 | -149.6 | -58.1 | 0 | 0 | 111.4 | Q469 H470 Q476 Q477 | Q469-M473 PolarHBondContact O-N 2.85Å; H470-M473 WeakPolarHBondContact O-CB 3.28Å; H470-M473 PolarHBondContact O-N 3.2Å; M473-Q476 WeakPolarHBondContact O-CB 3.49Å; M473-Q476 PolarHBondContact O-N 2.93Å; M473-Q476 VanDerWaalsContact O-N 3.16Å; M473-Q477 PolarHBondContact O-N 3.47Å |
| 474 | Q | 94.2 | Very high | 93.6 | Very high | 106 Ų | 106 | 114.7 Ų | 114.7 | 50% | 0.495 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | -178.9 | -170.5 | 171.7 | 57 | 0 | 0 | 112.2 | H470 H471 Q476 Q477 M478 | H470-Q474 WeakPolarHBondContact O-CB 3.46Å; H470-Q474 PolarHBondContact O-N 2.96Å; H471-Q474 PolarHBondContact O-N 3.48Å; Q474-Q476 VanDerWaalsContact C-N 3.33Å; Q474-Q476 PolarHBondContact O-N 3.44Å; Q474-Q477 PolarHBondContact O-N 3.37Å; Q474-M478 PolarHBondContact O-N 2.89Å |
| 475 | Q | 93.4 | Very high | 93.8 | Very high | 110 Ų | 110 | 114.6 Ų | 114.6 | 51% | 0.514 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 171 | -74.3 | -151.8 | 55.2 | 0 | 0 | 112.2 | H471 Q477 M478 H479 | H471-Q475 PolarHBondContact NE2-NE2 2.94Å; H471-Q475 PolarHBondContact O-N 3.23Å; Q475-Q477 VanDerWaalsContact C-N 3.34Å; Q475-Q477 PolarHBondContact O-N 3.38Å; Q475-M478 PolarHBondContact O-N 3.43Å; Q475-H479 WeakPolarHBondContact O-CB 3.39Å; Q475-H479 PolarHBondContact O-N 2.92Å |
| 476 | Q | 93.3 | Very high | 93.9 | Very high | 138 Ų | 138 | 115 Ų | 115 | 65% | 0.645 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.7 | -36.8 | 177.8 | -152.8 | 177.5 | 118.2 | 0 | 0 | 112.1 | Q472 M473 Q474 H480 | Q472-Q476 WeakPolarHBondContact O-CB 3.31Å; Q472-Q476 PolarHBondContact O-N 3.16Å; M473-Q476 WeakPolarHBondContact O-CB 3.49Å; M473-Q476 PolarHBondContact O-N 2.93Å; M473-Q476 VanDerWaalsContact O-N 3.16Å; Q474-Q476 VanDerWaalsContact C-N 3.33Å; Q474-Q476 PolarHBondContact O-N 3.44Å; Q476-H480 WeakPolarHBondContact O-CB 3.42Å; Q476-H480 PolarHBondContact O-N 3.27Å |
| 477 | Q | 94.3 | Very high | 94.1 | Very high | 132 Ų | 132 | 115.1 Ų | 115.1 | 62% | 0.617 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.1 | -44.4 | 173.4 | -174.8 | -176.3 | 86.3 | 0 | 0 | 111.9 | M473 Q474 Q475 H480 Q481 | M473-Q477 PolarHBondContact O-N 3.47Å; Q474-Q477 PolarHBondContact O-N 3.37Å; Q475-Q477 VanDerWaalsContact C-N 3.34Å; Q475-Q477 PolarHBondContact O-N 3.38Å; Q477-H480 PolarHBondContact O-N 3.43Å; Q477-Q481 PolarHBondContact O-N 3.08Å |
| 478 | M | 93.3 | Very high | 94.2 | Very high | 109 Ų | 109 | 115.3 Ų | 115.3 | 54% | 0.537 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 176.8 | -173.6 | -86.7 | -76 | 0 | 0 | 111.5 | Q474 Q475 H480 Q481 Q482 | Q474-M478 PolarHBondContact O-N 2.89Å; Q475-M478 PolarHBondContact O-N 3.43Å; M478-H480 PolarHBondContact O-N 2.97Å; M478-Q481 WeakPolarHBondContact O-CB 3.4Å; M478-Q481 PolarHBondContact O-N 3.3Å; M478-Q482 PolarHBondContact O-N 3.44Å |
| 479 | H | 94.2 | Very high | 94.2 | Very high | 104 Ų | 104 | 116.5 Ų | 116.5 | 48% | 0.481 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 174.1 | -171 | 61.9 | 0 | 0 | 0 | 112.5 | Q475 Q481 Q482 I483 | Q475-H479 WeakPolarHBondContact O-CB 3.39Å; Q475-H479 PolarHBondContact O-N 2.92Å; H479-Q481 VanDerWaalsContact C-N 3.35Å; H479-Q481 PolarHBondContact O-N 2.96Å; H479-Q482 WeakPolarHBondContact O-CB 3.3Å; H479-Q482 PolarHBondContact O-N 2.9Å; H479-I483 WeakPolarHBondContact O-CG1 3.29Å; H479-I483 PolarHBondContact O-N 3.26Å |
| 480 | H | 93.6 | Very high | 94.3 | Very high | 115 Ų | 115 | 116.1 Ų | 116.1 | 53% | 0.532 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 173.2 | -174.3 | 86.9 | 0 | 0 | 0 | 112.2 | Q476 Q477 M478 Q482 I483 Q484 | Q476-H480 WeakPolarHBondContact O-CB 3.42Å; Q476-H480 PolarHBondContact O-N 3.27Å; Q477-H480 PolarHBondContact O-N 3.43Å; M478-H480 PolarHBondContact O-N 2.97Å; H480-Q482 VanDerWaalsContact C-N 3.34Å; H480-Q482 PolarHBondContact O-N 3.09Å; H480-I483 PolarHBondContact O-N 3.16Å; H480-Q484 WeakPolarHBondContact O-CB 3.4Å; H480-Q484 PolarHBondContact O-N 3.46Å |
| 481 | Q | 95.1 | Very high | 94.3 | Very high | 114 Ų | 114 | 117.2 Ų | 117.2 | 53% | 0.533 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64 | -38.6 | 175.2 | -167.8 | -172.2 | 90.6 | 0 | 0 | 111.7 | Q477 M478 H479 Q484 Q485 | Q477-Q481 PolarHBondContact O-N 3.08Å; M478-Q481 WeakPolarHBondContact O-CB 3.4Å; M478-Q481 PolarHBondContact O-N 3.3Å; H479-Q481 VanDerWaalsContact C-N 3.35Å; H479-Q481 PolarHBondContact O-N 2.96Å; Q481-Q484 PolarHBondContact O-N 3.48Å; Q481-Q485 PolarHBondContact O-N 3.14Å |
| 482 | Q | 94.9 | Very high | 94.5 | Very high | 116 Ų | 116 | 119.3 Ų | 119.3 | 54% | 0.542 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.9 | -45.2 | 174.6 | -170.4 | -178.7 | 39.5 | 0 | 0 | 112 | M478 H479 H480 Q484 Q485 Q486 | M478-Q482 PolarHBondContact O-N 3.44Å; H479-Q482 WeakPolarHBondContact O-CB 3.3Å; H479-Q482 PolarHBondContact O-N 2.9Å; H480-Q482 VanDerWaalsContact C-N 3.34Å; H480-Q482 PolarHBondContact O-N 3.09Å; Q482-Q484 VanDerWaalsContact C-N 3.29Å; Q482-Q484 PolarHBondContact O-N 3.04Å; Q482-Q485 PolarHBondContact O-N 3.17Å; Q482-Q486 PolarHBondContact O-N 3.4Å |
| 483 | I | 95.4 | Very high | 94.6 | Very high | 73 Ų | 73 | 118.3 Ų | 118.3 | 37% | 0.374 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.9 | -40.8 | 173.7 | -68.1 | 165.2 | 0 | 0 | 0 | 110.7 | H479 H480 Q486 M487 | H479-I483 WeakPolarHBondContact O-CG1 3.29Å; H479-I483 PolarHBondContact O-N 3.26Å; H480-I483 PolarHBondContact O-N 3.16Å; I483-Q486 PolarHBondContact O-N 3.37Å; I483-M487 WeakPolarHBondContact O-CB 3.47Å; I483-M487 PolarHBondContact O-N 3.35Å |
| 484 | Q | 93.7 | Very high | 94.7 | Very high | 126 Ų | 126 | 118 Ų | 118 | 59% | 0.589 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.9 | -39.8 | 179.4 | -161.9 | 175.2 | 107.8 | 0 | 0 | 112.3 | H480 Q481 Q482 M487 Q488 | H480-Q484 WeakPolarHBondContact O-CB 3.4Å; H480-Q484 PolarHBondContact O-N 3.46Å; Q481-Q484 PolarHBondContact O-N 3.48Å; Q482-Q484 VanDerWaalsContact C-N 3.29Å; Q482-Q484 PolarHBondContact O-N 3.04Å; Q484-M487 PolarHBondContact O-N 3.45Å; Q484-Q488 PolarHBondContact O-N 2.93Å |
| 485 | Q | 94.8 | Very high | 94.8 | Very high | 114 Ų | 114 | 118 Ų | 118 | 53% | 0.533 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.9 | -40.5 | 171.9 | -72.8 | -171.2 | 69.4 | 0 | 0 | 112.4 | Q481 Q482 Q488 H489 | Q481-Q485 PolarHBondContact O-N 3.14Å; Q482-Q485 PolarHBondContact O-N 3.17Å; Q485-Q488 WeakPolarHBondContact O-CB 3.5Å; Q485-Q488 PolarHBondContact O-N 2.89Å; Q485-H489 PolarHBondContact O-N 2.88Å |
| 486 | Q | 95.3 | Very high | 94.9 | Very high | 137 Ų | 137 | 116 Ų | 116 | 64% | 0.64 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.1 | -42.9 | 176 | -173.7 | -179.3 | 65 | 0 | 0 | 111.6 | Q482 I483 Q488 H489 Q490 | Q482-Q486 PolarHBondContact O-N 3.4Å; I483-Q486 PolarHBondContact O-N 3.37Å; Q486-Q488 VanDerWaalsContact C-N 3.35Å; Q486-Q488 PolarHBondContact O-N 2.92Å; Q486-H489 PolarHBondContact O-N 2.94Å; Q486-Q490 PolarHBondContact O-N 3.43Å |
| 487 | M | 94.5 | Very high | 95.1 | Very high | 123 Ų | 123 | 115.6 Ų | 115.6 | 61% | 0.606 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.3 | -43.8 | 172.3 | -89.1 | -73.1 | -69.8 | 0 | 0 | 112.1 | I483 Q484 Q490 H491 | I483-M487 WeakPolarHBondContact O-CB 3.47Å; I483-M487 PolarHBondContact O-N 3.35Å; Q484-M487 PolarHBondContact O-N 3.45Å; M487-Q490 PolarHBondContact O-N 3.14Å; M487-H491 WeakPolarHBondContact O-CB 3.44Å; M487-H491 PolarHBondContact O-N 3.34Å |
| 488 | Q | 94.8 | Very high | 95.1 | Very high | 141 Ų | 141 | 113.8 Ų | 113.8 | 66% | 0.659 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.1 | -43.7 | 175.8 | -171.7 | -171.1 | 85.7 | 0 | 0 | 111.6 | Q484 Q485 Q486 H491 F492 | Q484-Q488 PolarHBondContact O-N 2.93Å; Q485-Q488 WeakPolarHBondContact O-CB 3.5Å; Q485-Q488 PolarHBondContact O-N 2.89Å; Q486-Q488 VanDerWaalsContact C-N 3.35Å; Q486-Q488 PolarHBondContact O-N 2.92Å; Q488-H491 PolarHBondContact O-N 3.41Å; Q488-F492 PolarHBondContact O-N 3.01Å |
| 489 | H | 95 | Very high | 95.2 | Very high | 121 Ų | 121 | 114 Ų | 114 | 56% | 0.56 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.6 | -45.5 | 176.2 | -106.6 | 81.2 | 0 | 0 | 0 | 112.7 | Q485 Q486 H491 F492 Q493 | Q485-H489 PolarHBondContact O-N 2.88Å; Q486-H489 PolarHBondContact O-N 2.94Å; H489-H491 VanDerWaalsContact C-N 3.32Å; H489-H491 PolarHBondContact O-N 3.17Å; H489-F492 PolarHBondContact O-N 3.38Å; H489-Q493 WeakPolarHBondContact O-CG 3.39Å; H489-Q493 PolarHBondContact O-N 3.44Å |
| 490 | Q | 95.3 | Very high | 95.4 | Very high | 129 Ų | 129 | 113.9 Ų | 113.9 | 60% | 0.603 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -55.5 | -47.9 | 171.7 | -108.4 | -78.6 | 36 | 0 | 0 | 111.2 | Q486 M487 F492 Q493 H494 | Q486-Q490 PolarHBondContact O-N 3.43Å; M487-Q490 PolarHBondContact O-N 3.14Å; Q490-F492 VanDerWaalsContact C-N 3.32Å; Q490-F492 PolarHBondContact O-N 3.21Å; Q490-Q493 PolarHBondContact O-N 3.34Å; Q490-H494 WeakPolarHBondContact O-CB 3.34Å; Q490-H494 PolarHBondContact O-N 2.95Å |
| 491 | H | 94.4 | Very high | 95.5 | Very high | 129 Ų | 129 | 114.4 Ų | 114.4 | 60% | 0.597 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.9 | -30.9 | -177.5 | -148.6 | -53.8 | 0 | 0 | 0 | 113 | M487 Q488 H489 H495 | M487-H491 WeakPolarHBondContact O-CB 3.44Å; M487-H491 PolarHBondContact O-N 3.34Å; Q488-H491 PolarHBondContact O-N 3.41Å; H489-H491 VanDerWaalsContact C-N 3.32Å; H489-H491 PolarHBondContact O-N 3.17Å; H491-H495 WeakPolarHBondContact O-CB 3.39Å; H491-H495 PolarHBondContact O-N 3.14Å; H491-H495 VanDerWaalsContact O-N 3.08Å |
| 492 | F | 97.4 | Very high | 95.5 | Very high | 125 Ų | 125 | 114.6 Ų | 114.6 | 55% | 0.548 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.7 | -47.1 | 171.9 | 179.1 | -99.9 | 0 | 0 | 0 | 112 | Q488 H489 Q490 H494 H495 L496 | Q488-F492 PolarHBondContact O-N 3.01Å; H489-F492 PolarHBondContact O-N 3.38Å; Q490-F492 VanDerWaalsContact C-N 3.32Å; Q490-F492 PolarHBondContact O-N 3.21Å; F492-H494 PolarHBondContact O-N 3.2Å; F492-H495 PolarHBondContact O-N 3.34Å; F492-H495 VanDerWaalsContact O-N 3.16Å; F492-L496 PolarHBondContact O-N 2.96Å |
| 493 | Q | 95.6 | Very high | 95.6 | Very high | 107 Ų | 107 | 114.8 Ų | 114.8 | 50% | 0.5 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 175.7 | -73.5 | -67.2 | -27.4 | 0 | 0 | 111.5 | H489 Q490 H495 L496 Q497 | H489-Q493 WeakPolarHBondContact O-CG 3.39Å; H489-Q493 PolarHBondContact O-N 3.44Å; Q490-Q493 PolarHBondContact O-N 3.34Å; Q493-H495 VanDerWaalsContact C-N 3.33Å; Q493-H495 PolarHBondContact O-N 3.5Å; Q493-L496 PolarHBondContact O-N 3.48Å; Q493-Q497 WeakPolarHBondContact O-CB 3.31Å; Q493-Q497 PolarHBondContact O-N 2.91Å |
| 494 | H | 95.8 | Very high | 95.6 | Very high | 110 Ų | 110 | 116.1 Ų | 116.1 | 51% | 0.509 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.1 | -37 | 175.6 | 179.6 | -109.5 | 0 | 0 | 0 | 112.7 | Q490 F492 Q498 | Q490-H494 WeakPolarHBondContact O-CB 3.34Å; Q490-H494 PolarHBondContact O-N 2.95Å; F492-H494 PolarHBondContact O-N 3.2Å; H494-Q498 VanDerWaalsContact O-CB 3.32Å; H494-Q498 WeakPolarHBondContact O-CB 3.36Å; H494-Q498 PolarHBondContact O-N 3.41Å |
| 495 | H | 96.4 | Very high | 95.7 | Very high | 105 Ų | 105 | 115.7 Ų | 115.7 | 49% | 0.486 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 174.8 | -174.5 | 70.9 | 0 | 0 | 0 | 112.2 | H491 F492 Q493 Q498 Q499 | H491-H495 WeakPolarHBondContact O-CB 3.39Å; H491-H495 PolarHBondContact O-N 3.14Å; H491-H495 VanDerWaalsContact O-N 3.08Å; F492-H495 PolarHBondContact O-N 3.34Å; F492-H495 VanDerWaalsContact O-N 3.16Å; Q493-H495 VanDerWaalsContact C-N 3.33Å; Q493-H495 PolarHBondContact O-N 3.5Å; H495-Q498 PolarHBondContact O-N 3.11Å; H495-Q499 PolarHBondContact O-N 3.39Å |
| 496 | L | 96.8 | Very high | 95.7 | Very high | 68 Ų | 68 | 116.8 Ų | 116.8 | 36% | 0.356 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 176.2 | -172.9 | 65.4 | 0 | 0 | 0 | 111.6 | F492 Q493 Q498 Q499 L500 | F492-L496 PolarHBondContact O-N 2.96Å; Q493-L496 PolarHBondContact O-N 3.48Å; L496-Q498 VanDerWaalsContact C-N 3.33Å; L496-Q498 PolarHBondContact O-N 3.32Å; L496-Q499 WeakPolarHBondContact O-CB 3.47Å; L496-Q499 PolarHBondContact O-N 3.23Å; L496-L500 HydrophobicContact CD1-CD1 4.3Å; L496-L500 HydrophobicContact CG-CD1 4.38Å; L496-L500 WeakPolarHBondContact O-CD1 3.5Å; L496-L500 PolarHBondContact O-N 3.46Å |
| 497 | Q | 95.8 | Very high | 95.7 | Very high | 129 Ų | 129 | 114.2 Ų | 114.2 | 60% | 0.603 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -58.1 | -44.6 | 173.6 | -171.8 | 77 | 92 | 0 | 0 | 111.5 | Q493 L500 Q501 | Q493-Q497 WeakPolarHBondContact O-CB 3.31Å; Q493-Q497 PolarHBondContact O-N 2.91Å; Q497-L500 PolarHBondContact O-N 2.69Å; Q497-Q501 WeakPolarHBondContact O-CB 3.46Å; Q497-Q501 PolarHBondContact O-N 3.02Å |
| 498 | Q | 95.8 | Very high | 95.7 | Very high | 94 Ų | 94 | 114 Ų | 114 | 44% | 0.439 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.7 | -34.5 | 176.8 | -176.6 | 176.6 | 100 | 0 | 0 | 112.6 | H494 H495 L496 Q501 Q502 | H494-Q498 VanDerWaalsContact O-CB 3.32Å; H494-Q498 WeakPolarHBondContact O-CB 3.36Å; H494-Q498 PolarHBondContact O-N 3.41Å; H495-Q498 PolarHBondContact O-N 3.11Å; L496-Q498 VanDerWaalsContact C-N 3.33Å; L496-Q498 PolarHBondContact O-N 3.32Å; Q498-Q501 PolarHBondContact O-N 3.21Å; Q498-Q502 PolarHBondContact O-N 3.13Å |
| 499 | Q | 95.9 | Very high | 95.7 | Very high | 113 Ų | 113 | 113.3 Ų | 113.3 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.2 | -44.9 | 174.8 | -166.4 | 179.2 | 30.8 | 0 | 0 | 111.4 | H495 L496 Q501 Q502 H503 | H495-Q499 PolarHBondContact O-N 3.39Å; L496-Q499 WeakPolarHBondContact O-CB 3.47Å; L496-Q499 PolarHBondContact O-N 3.23Å; Q499-Q501 VanDerWaalsContact C-N 3.32Å; Q499-Q501 PolarHBondContact O-N 2.95Å; Q499-Q502 PolarHBondContact O-N 3.31Å; Q499-H503 PolarHBondContact O-N 2.9Å |
| 500 | L | 96.7 | Very high | 95.7 | Very high | 103 Ų | 103 | 113.3 Ų | 113.3 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59 | -42.9 | 171.9 | -97.1 | 70.7 | 0 | 0 | 0 | 111.7 | L496 Q497 Q502 H503 H504 | L496-L500 HydrophobicContact CD1-CD1 4.3Å; L496-L500 HydrophobicContact CG-CD1 4.38Å; L496-L500 WeakPolarHBondContact O-CD1 3.5Å; L496-L500 PolarHBondContact O-N 3.46Å; Q497-L500 PolarHBondContact O-N 2.69Å; L500-Q502 PolarHBondContact O-N 3.16Å; L500-H503 PolarHBondContact O-N 3.49Å; L500-H504 WeakPolarHBondContact O-CB 3.29Å; L500-H504 PolarHBondContact O-N 3.29Å |
| 501 | Q | 96.1 | Very high | 95.7 | Very high | 125 Ų | 125 | 112.9 Ų | 112.9 | 58% | 0.584 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.1 | -42.3 | 179.2 | -170 | 69.4 | 87.7 | 0 | 0 | 112.1 | Q497 Q498 Q499 M505 | Q497-Q501 WeakPolarHBondContact O-CB 3.46Å; Q497-Q501 PolarHBondContact O-N 3.02Å; Q498-Q501 PolarHBondContact O-N 3.21Å; Q499-Q501 VanDerWaalsContact C-N 3.32Å; Q499-Q501 PolarHBondContact O-N 2.95Å; Q501-M505 PolarHBondContact O-N 3.29Å; Q501-M505 VanDerWaalsContact O-N 3.07Å |
| 502 | Q | 95 | Very high | 95.7 | Very high | 118 Ų | 118 | 113.4 Ų | 113.4 | 55% | 0.551 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67 | -42.4 | 174.8 | -76.2 | -174.3 | 92.7 | 0 | 0 | 112.3 | Q498 Q499 L500 H504 M505 Q506 | Q498-Q502 PolarHBondContact O-N 3.13Å; Q499-Q502 PolarHBondContact O-N 3.31Å; L500-Q502 PolarHBondContact O-N 3.16Å; Q502-H504 VanDerWaalsContact C-N 3.32Å; Q502-H504 PolarHBondContact O-N 2.92Å; Q502-M505 PolarHBondContact O-N 2.93Å; Q502-Q506 WeakPolarHBondContact O-CB 3.42Å; Q502-Q506 PolarHBondContact O-N 3.43Å |
| 503 | H | 96.5 | Very high | 95.6 | Very high | 120 Ų | 120 | 113.9 Ų | 113.9 | 56% | 0.556 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61 | -41.5 | 176.2 | -177.7 | -100 | 0 | 0 | 0 | 111.8 | Q499 L500 Q506 Q507 | Q499-H503 PolarHBondContact O-N 2.9Å; L500-H503 PolarHBondContact O-N 3.49Å; H503-Q506 PolarHBondContact O-N 3.49Å; H503-Q507 WeakPolarHBondContact O-CB 3.31Å; H503-Q507 PolarHBondContact O-N 3.25Å |
| 504 | H | 96.1 | Very high | 95.6 | Very high | 102 Ų | 102 | 114.4 Ų | 114.4 | 47% | 0.472 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 176.1 | -165.7 | 88 | 0 | 0 | 0 | 112.4 | L500 Q502 Q507 Q508 | L500-H504 WeakPolarHBondContact O-CB 3.29Å; L500-H504 PolarHBondContact O-N 3.29Å; Q502-H504 VanDerWaalsContact C-N 3.32Å; Q502-H504 PolarHBondContact O-N 2.92Å; H504-Q507 PolarHBondContact O-N 3.32Å; H504-Q508 WeakPolarHBondContact O-CB 3.45Å; H504-Q508 PolarHBondContact O-N 3.46Å |
| 505 | M | 95 | Very high | 95.6 | Very high | 117 Ų | 117 | 114.2 Ų | 114.2 | 58% | 0.576 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.8 | -44.4 | 173.2 | -172.5 | -153.8 | -60.5 | 0 | 0 | 111.7 | Q501 Q502 Q508 Q509 | Q501-M505 PolarHBondContact O-N 3.29Å; Q501-M505 VanDerWaalsContact O-N 3.07Å; Q502-M505 PolarHBondContact O-N 2.93Å; M505-Q508 PolarHBondContact O-N 3.04Å; M505-Q509 PolarHBondContact O-N 2.98Å |
| 506 | Q | 95.5 | Very high | 95.5 | Very high | 136 Ų | 136 | 115 Ų | 115 | 64% | 0.636 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67 | -39.4 | 179.8 | -175.3 | 161.4 | 75.1 | 0 | 0 | 112 | Q502 H503 Q509 Q510 | Q502-Q506 WeakPolarHBondContact O-CB 3.42Å; Q502-Q506 PolarHBondContact O-N 3.43Å; H503-Q506 PolarHBondContact O-N 3.49Å; Q506-Q509 PolarHBondContact O-N 3.49Å; Q506-Q510 PolarHBondContact O-N 2.92Å |
| 507 | Q | 95.4 | Very high | 95.5 | Very high | 84 Ų | 84 | 118.1 Ų | 118.1 | 39% | 0.393 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.6 | -42.5 | 172.1 | -173.8 | -176.5 | 94.9 | 0 | 0 | 111.9 | H503 H504 Q510 Q511 | H503-Q507 WeakPolarHBondContact O-CB 3.31Å; H503-Q507 PolarHBondContact O-N 3.25Å; H504-Q507 PolarHBondContact O-N 3.32Å; Q507-Q510 PolarHBondContact O-N 3.26Å; Q507-Q511 PolarHBondContact O-N 3.44Å |
| 508 | Q | 95.1 | Very high | 95.4 | Very high | 119 Ų | 119 | 117.7 Ų | 117.7 | 56% | 0.556 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.7 | -42.2 | 176 | -174.5 | -178.4 | 95.2 | 0 | 0 | 111.7 | H504 M505 Q510 Q511 Q512 | H504-Q508 WeakPolarHBondContact O-CB 3.45Å; H504-Q508 PolarHBondContact O-N 3.46Å; M505-Q508 PolarHBondContact O-N 3.04Å; Q508-Q510 VanDerWaalsContact C-N 3.35Å; Q508-Q510 PolarHBondContact O-N 2.96Å; Q508-Q511 PolarHBondContact O-N 3.16Å; Q508-Q512 WeakPolarHBondContact O-CB 3.47Å; Q508-Q512 PolarHBondContact O-N 3.42Å |
| 509 | Q | 94.7 | Very high | 95.4 | Very high | 126 Ų | 126 | 118.5 Ų | 118.5 | 59% | 0.589 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.6 | -40.4 | 174.5 | -175.7 | 172.2 | 98.4 | 0 | 0 | 111.9 | M505 Q506 Q512 Q513 | M505-Q509 PolarHBondContact O-N 2.98Å; Q506-Q509 PolarHBondContact O-N 3.49Å; Q509-Q512 PolarHBondContact O-N 3.26Å; Q509-Q513 WeakPolarHBondContact O-CB 3.39Å; Q509-Q513 PolarHBondContact O-N 2.96Å |
| 510 | Q | 95.1 | Very high | 95.4 | Very high | 121 Ų | 121 | 117.5 Ų | 117.5 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.6 | -40.1 | 176.3 | -170.6 | 178.3 | 61.5 | 0 | 0 | 112.4 | Q506 Q507 Q508 Q513 Q514 | Q506-Q510 PolarHBondContact O-N 2.92Å; Q507-Q510 PolarHBondContact O-N 3.26Å; Q508-Q510 VanDerWaalsContact C-N 3.35Å; Q508-Q510 PolarHBondContact O-N 2.96Å; Q510-Q513 PolarHBondContact O-N 2.88Å; Q510-Q514 PolarHBondContact O-N 3.5Å |
| 511 | Q | 94.6 | Very high | 95.4 | Very high | 119 Ų | 119 | 118.8 Ų | 118.8 | 56% | 0.556 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.9 | -42.7 | 172.4 | -73.8 | -172.9 | 42.4 | 0 | 0 | 111.9 | Q507 Q508 Q513 Q514 H515 | Q507-Q511 PolarHBondContact O-N 3.44Å; Q508-Q511 PolarHBondContact O-N 3.16Å; Q511-Q513 VanDerWaalsContact C-N 3.32Å; Q511-Q513 PolarHBondContact O-N 2.95Å; Q511-Q514 PolarHBondContact O-N 3.29Å; Q511-H515 WeakPolarHBondContact O-CB 3.37Å; Q511-H515 PolarHBondContact O-N 3.02Å |
| 512 | Q | 95.1 | Very high | 95.4 | Very high | 141 Ų | 141 | 119.3 Ų | 119.3 | 66% | 0.659 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.3 | -38.7 | 176.8 | -171.4 | 177.7 | 96.8 | 0 | 0 | 111.8 | Q508 Q509 H515 M516 | Q508-Q512 WeakPolarHBondContact O-CB 3.47Å; Q508-Q512 PolarHBondContact O-N 3.42Å; Q509-Q512 PolarHBondContact O-N 3.26Å; Q512-H515 PolarHBondContact O-N 2.94Å; Q512-M516 PolarHBondContact O-N 3.48Å |
| 513 | Q | 95.1 | Very high | 95.4 | Very high | 134 Ų | 134 | 118.8 Ų | 118.8 | 63% | 0.626 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.3 | -42.7 | 175.5 | -169.2 | 174.2 | 89.7 | 0 | 0 | 112.1 | Q509 Q510 Q511 M516 Q517 | Q509-Q513 WeakPolarHBondContact O-CB 3.39Å; Q509-Q513 PolarHBondContact O-N 2.96Å; Q510-Q513 PolarHBondContact O-N 2.88Å; Q511-Q513 VanDerWaalsContact C-N 3.32Å; Q511-Q513 PolarHBondContact O-N 2.95Å; Q513-M516 PolarHBondContact O-N 3.26Å; Q513-Q517 WeakPolarHBondContact O-CB 3.39Å; Q513-Q517 PolarHBondContact O-N 2.93Å |
| 514 | Q | 94.9 | Very high | 95.3 | Very high | 118 Ų | 118 | 118.7 Ų | 118.7 | 55% | 0.551 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.4 | -41.3 | 171.6 | -78.3 | -171.3 | 50.6 | 0 | 0 | 112.2 | Q510 Q511 M516 Q517 M518 | Q510-Q514 PolarHBondContact O-N 3.5Å; Q511-Q514 PolarHBondContact O-N 3.29Å; Q514-M516 PolarHBondContact O-N 3.36Å; Q514-Q517 PolarHBondContact O-N 3.27Å; Q514-M518 WeakPolarHBondContact O-CB 3.5Å; Q514-M518 PolarHBondContact O-N 2.98Å |
| 515 | H | 96 | Very high | 95.3 | Very high | 107 Ų | 107 | 119.2 Ų | 119.2 | 50% | 0.495 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.3 | -42.3 | 177.3 | -176.2 | 75.6 | 0 | 0 | 0 | 111.7 | Q511 Q512 M518 Q519 | Q511-H515 WeakPolarHBondContact O-CB 3.37Å; Q511-H515 PolarHBondContact O-N 3.02Å; Q512-H515 PolarHBondContact O-N 2.94Å; H515-M518 PolarHBondContact O-N 3.33Å; H515-Q519 WeakPolarHBondContact O-CB 3.46Å; H515-Q519 PolarHBondContact O-N 3.11Å |
| 516 | M | 94.8 | Very high | 95.3 | Very high | 122 Ų | 122 | 120 Ų | 120 | 60% | 0.601 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.9 | -37 | 175.8 | -168.9 | -105.1 | -75.7 | 0 | 0 | 112.2 | Q512 Q513 Q514 Q519 H520 | Q512-M516 PolarHBondContact O-N 3.48Å; Q513-M516 PolarHBondContact O-N 3.26Å; Q514-M516 PolarHBondContact O-N 3.36Å; M516-Q519 PolarHBondContact O-N 3.37Å; M516-H520 WeakPolarHBondContact O-CB 3.45Å; M516-H520 PolarHBondContact O-N 3.23Å |
| 517 | Q | 95.6 | Very high | 95.3 | Very high | 132 Ų | 132 | 118.8 Ų | 118.8 | 62% | 0.617 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.1 | -41.4 | 173.2 | -172.1 | 177.5 | 60.6 | 0 | 0 | 112.3 | Q513 Q514 H520 M521 | Q513-Q517 WeakPolarHBondContact O-CB 3.39Å; Q513-Q517 PolarHBondContact O-N 2.93Å; Q514-Q517 PolarHBondContact O-N 3.27Å; Q517-H520 PolarHBondContact O-N 3.49Å; Q517-M521 WeakPolarHBondContact O-CB 3.48Å; Q517-M521 PolarHBondContact O-N 2.96Å |
| 518 | M | 95.4 | Very high | 95.3 | Very high | 120 Ų | 120 | 119.2 Ų | 119.2 | 59% | 0.591 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.5 | -45.4 | 173.1 | -175.2 | -151.4 | -64.6 | 0 | 0 | 111.1 | Q514 H515 H520 M521 Q522 | Q514-M518 WeakPolarHBondContact O-CB 3.5Å; Q514-M518 PolarHBondContact O-N 2.98Å; H515-M518 PolarHBondContact O-N 3.33Å; M518-H520 VanDerWaalsContact C-N 3.34Å; M518-H520 PolarHBondContact O-N 3.35Å; M518-M521 PolarHBondContact O-N 2.88Å; M518-Q522 WeakPolarHBondContact O-CB 3.45Å; M518-Q522 PolarHBondContact O-N 2.98Å |
| 519 | Q | 95.8 | Very high | 95.3 | Very high | 112 Ų | 112 | 118.5 Ų | 118.5 | 52% | 0.523 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.4 | -40.7 | 177.3 | -171.5 | -179 | 102.3 | 0 | 0 | 111.5 | H515 M516 Q522 M523 | H515-Q519 WeakPolarHBondContact O-CB 3.46Å; H515-Q519 PolarHBondContact O-N 3.11Å; M516-Q519 PolarHBondContact O-N 3.37Å; Q519-Q522 PolarHBondContact O-N 3.48Å; Q519-M523 WeakPolarHBondContact O-CB 3.39Å; Q519-M523 PolarHBondContact O-N 3.16Å |
| 520 | H | 96.1 | Very high | 95.3 | Very high | 91 Ų | 91 | 119 Ų | 119 | 42% | 0.421 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.1 | -43.2 | 173.8 | -176.4 | 78.9 | 0 | 0 | 0 | 112.3 | M516 Q517 M518 M523 Q524 | M516-H520 WeakPolarHBondContact O-CB 3.45Å; M516-H520 PolarHBondContact O-N 3.23Å; Q517-H520 PolarHBondContact O-N 3.49Å; M518-H520 VanDerWaalsContact C-N 3.34Å; M518-H520 PolarHBondContact O-N 3.35Å; H520-M523 PolarHBondContact O-N 2.92Å; H520-Q524 PolarHBondContact NE2-NE2 3.18Å; H520-Q524 PolarHBondContact O-N 3.33Å |
| 521 | M | 95.4 | Very high | 95.3 | Very high | 131 Ų | 131 | 119 Ų | 119 | 65% | 0.645 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.4 | -40.5 | 175.4 | -174 | -177.9 | -70.2 | 0 | 0 | 111.9 | Q517 M518 Q524 H525 | Q517-M521 WeakPolarHBondContact O-CB 3.48Å; Q517-M521 PolarHBondContact O-N 2.96Å; M518-M521 PolarHBondContact O-N 2.88Å; M521-Q524 PolarHBondContact O-N 3.48Å; M521-H525 WeakPolarHBondContact O-CB 3.49Å; M521-H525 PolarHBondContact O-N 3.43Å |
| 522 | Q | 95.8 | Very high | 95.3 | Very high | 135 Ų | 135 | 117.1 Ų | 117.1 | 63% | 0.631 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.1 | -41.6 | 174.9 | -177.2 | 176.3 | 81.3 | 0 | 0 | 111.8 | M518 Q519 H525 Q526 | M518-Q522 WeakPolarHBondContact O-CB 3.45Å; M518-Q522 PolarHBondContact O-N 2.98Å; Q519-Q522 PolarHBondContact O-N 3.48Å; Q522-H525 PolarHBondContact O-N 2.9Å; Q522-Q526 WeakPolarHBondContact O-CB 3.43Å; Q522-Q526 PolarHBondContact O-N 3.3Å |
| 523 | M | 95.8 | Very high | 95.2 | Very high | 107 Ų | 107 | 117 Ų | 117 | 53% | 0.527 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.7 | -47.7 | 174 | -174.6 | -137.5 | -63.9 | 0 | 0 | 111.5 | Q519 H520 H525 Q526 L527 | Q519-M523 WeakPolarHBondContact O-CB 3.39Å; Q519-M523 PolarHBondContact O-N 3.16Å; H520-M523 PolarHBondContact O-N 2.92Å; M523-H525 VanDerWaalsContact C-N 3.34Å; M523-H525 PolarHBondContact O-N 2.98Å; M523-Q526 PolarHBondContact O-N 2.89Å; M523-L527 WeakPolarHBondContact O-CB 3.42Å; M523-L527 PolarHBondContact O-N 3.31Å |
| 524 | Q | 94.9 | Very high | 95.1 | Very high | 119 Ų | 119 | 116.2 Ų | 116.2 | 56% | 0.556 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.2 | -43.1 | 175.6 | -75.6 | -152.7 | 38.3 | 0 | 0 | 111.9 | H520 M521 Q526 L527 H528 | H520-Q524 PolarHBondContact NE2-NE2 3.18Å; H520-Q524 PolarHBondContact O-N 3.33Å; M521-Q524 PolarHBondContact O-N 3.48Å; Q524-Q526 PolarHBondContact O-N 3.06Å; Q524-L527 PolarHBondContact O-N 2.87Å; Q524-H528 WeakPolarHBondContact O-CB 3.49Å; Q524-H528 PolarHBondContact O-N 3.38Å |
| 525 | H | 95 | Very high | 95.1 | Very high | 112 Ų | 112 | 115.6 Ų | 115.6 | 52% | 0.519 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.6 | -42.4 | 176.4 | 180 | 78.3 | 0 | 0 | 0 | 112.2 | M521 Q522 M523 H528 Q529 | M521-H525 WeakPolarHBondContact O-CB 3.49Å; M521-H525 PolarHBondContact O-N 3.43Å; Q522-H525 PolarHBondContact O-N 2.9Å; M523-H525 VanDerWaalsContact C-N 3.34Å; M523-H525 PolarHBondContact O-N 2.98Å; H525-H528 PolarHBondContact O-N 2.97Å; H525-Q529 WeakPolarHBondContact O-CB 3.46Å; H525-Q529 VanDerWaalsContact O-CG 3.26Å; H525-Q529 WeakPolarHBondContact O-CG 3.45Å; H525-Q529 PolarHBondContact O-N 3.45Å |
| 526 | Q | 95.7 | Very high | 94.9 | Very high | 135 Ų | 135 | 116.7 Ų | 116.7 | 63% | 0.631 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.9 | -40.2 | 176.3 | -174.4 | 175.3 | 56.3 | 0 | 0 | 112.1 | Q522 M523 Q524 Q529 Q530 | Q522-Q526 WeakPolarHBondContact O-CB 3.43Å; Q522-Q526 PolarHBondContact O-N 3.3Å; M523-Q526 PolarHBondContact O-N 2.89Å; Q524-Q526 PolarHBondContact O-N 3.06Å; Q526-Q529 PolarHBondContact O-N 3.22Å; Q526-Q530 WeakPolarHBondContact O-CB 3.44Å; Q526-Q530 PolarHBondContact O-N 3.48Å |
| 527 | L | 96 | Very high | 94.7 | Very high | 110 Ų | 110 | 116.8 Ų | 116.8 | 58% | 0.576 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67 | -40.5 | 177 | -162.1 | 157.4 | 0 | 0 | 0 | 111.1 | M523 Q524 Q530 Q531 | M523-L527 WeakPolarHBondContact O-CB 3.42Å; M523-L527 PolarHBondContact O-N 3.31Å; Q524-L527 PolarHBondContact O-N 2.87Å; L527-Q530 WeakPolarHBondContact O-CB 3.49Å; L527-Q530 PolarHBondContact O-N 2.98Å; L527-Q531 PolarHBondContact O-N 3.47Å |
| 528 | H | 95.2 | Very high | 94.4 | Very high | 92 Ų | 92 | 115 Ų | 115 | 43% | 0.426 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | 174.5 | -173.3 | 64.4 | 0 | 0 | 0 | 112.6 | Q524 H525 Q530 Q531 I532 | Q524-H528 WeakPolarHBondContact O-CB 3.49Å; Q524-H528 PolarHBondContact O-N 3.38Å; H525-H528 PolarHBondContact O-N 2.97Å; H528-Q530 VanDerWaalsContact C-N 3.29Å; H528-Q530 PolarHBondContact O-N 2.96Å; H528-Q531 WeakPolarHBondContact O-CB 3.46Å; H528-Q531 PolarHBondContact O-N 2.9Å; H528-I532 WeakPolarHBondContact O-CG1 3.44Å; H528-I532 PolarHBondContact O-N 3.3Å |
| 529 | Q | 94.5 | Very high | 93.9 | Very high | 105 Ų | 105 | 114.7 Ų | 114.7 | 49% | 0.491 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -56.5 | -42.7 | 170.9 | -76.3 | -102.6 | 58.3 | 0 | 0 | 111.8 | H525 Q526 I532 Q533 | H525-Q529 WeakPolarHBondContact O-CB 3.46Å; H525-Q529 VanDerWaalsContact O-CG 3.26Å; H525-Q529 WeakPolarHBondContact O-CG 3.45Å; H525-Q529 PolarHBondContact O-N 3.45Å; Q526-Q529 PolarHBondContact O-N 3.22Å; Q529-I532 PolarHBondContact O-N 3.08Å; Q529-Q533 WeakPolarHBondContact O-CB 3.44Å; Q529-Q533 PolarHBondContact O-N 2.97Å |
| 530 | Q | 95 | Very high | 93.4 | Very high | 136 Ų | 136 | 114.9 Ų | 114.9 | 64% | 0.636 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.7 | -38.3 | 177.4 | -156 | -179.8 | 116 | 0 | 0 | 111.9 | Q526 L527 H528 Q533 H534 | Q526-Q530 WeakPolarHBondContact O-CB 3.44Å; Q526-Q530 PolarHBondContact O-N 3.48Å; L527-Q530 WeakPolarHBondContact O-CB 3.49Å; L527-Q530 PolarHBondContact O-N 2.98Å; H528-Q530 VanDerWaalsContact C-N 3.29Å; H528-Q530 PolarHBondContact O-N 2.96Å; Q530-Q533 PolarHBondContact O-N 3.5Å; Q530-H534 WeakPolarHBondContact O-CB 3.48Å; Q530-H534 PolarHBondContact O-N 3.1Å |
| 531 | Q | 94.1 | Very high | 92.6 | Very high | 121 Ų | 121 | 116.3 Ų | 116.3 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.3 | -43 | 173.8 | -175.6 | 180 | 64.8 | 0 | 0 | 112.4 | L527 H528 Q533 H534 L535 | L527-Q531 PolarHBondContact O-N 3.47Å; H528-Q531 WeakPolarHBondContact O-CB 3.46Å; H528-Q531 PolarHBondContact O-N 2.9Å; Q531-Q533 VanDerWaalsContact C-N 3.35Å; Q531-H534 PolarHBondContact O-N 3.25Å; Q531-L535 WeakPolarHBondContact O-CB 3.48Å; Q531-L535 PolarHBondContact O-N 3.3Å |
| 532 | I | 94.3 | Very high | 91.7 | Very high | 80 Ų | 80 | 115.9 Ų | 115.9 | 41% | 0.41 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 173.6 | -68.9 | 167 | 0 | 0 | 0 | 110.4 | H528 Q529 L535 Q536 | H528-I532 WeakPolarHBondContact O-CG1 3.44Å; H528-I532 PolarHBondContact O-N 3.3Å; Q529-I532 PolarHBondContact O-N 3.08Å; I532-L535 PolarHBondContact O-N 3.47Å; I532-Q536 WeakPolarHBondContact O-CB 3.45Å; I532-Q536 PolarHBondContact O-N 3.48Å |
| 533 | Q | 93.5 | Very high | 90.7 | Very high | 139 Ų | 139 | 115 Ų | 115 | 65% | 0.65 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66 | -39.6 | -178.2 | -167.8 | 163.6 | 93.6 | 0 | 0 | 112.1 | Q529 Q530 Q531 Q536 Q537 | Q529-Q533 WeakPolarHBondContact O-CB 3.44Å; Q529-Q533 PolarHBondContact O-N 2.97Å; Q530-Q533 PolarHBondContact O-N 3.5Å; Q531-Q533 VanDerWaalsContact C-N 3.35Å; Q533-Q536 PolarHBondContact O-N 3.48Å; Q533-Q537 WeakPolarHBondContact O-CB 3.47Å; Q533-Q537 PolarHBondContact O-N 3.34Å |
| 534 | H | 93.6 | Very high | 89.1 | Confident | 117 Ų | 117 | 115.4 Ų | 115.4 | 54% | 0.542 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 171.5 | 175.5 | -104.4 | 0 | 0 | 0 | 112.3 | Q530 Q531 Q536 Q537 Q538 | Q530-H534 WeakPolarHBondContact O-CB 3.48Å; Q530-H534 PolarHBondContact O-N 3.1Å; Q531-H534 PolarHBondContact O-N 3.25Å; H534-Q536 VanDerWaalsContact C-N 3.34Å; H534-Q536 PolarHBondContact O-N 3.03Å; H534-Q537 PolarHBondContact O-N 3.36Å; H534-Q538 WeakPolarHBondContact O-CB 3.46Å; H534-Q538 PolarHBondContact O-N 2.95Å |
| 535 | L | 94.1 | Very high | 87.5 | Confident | 104 Ų | 104 | 116.6 Ų | 116.6 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.5 | -40.3 | 177.3 | -177.6 | 63.3 | 0 | 0 | 0 | 112 | Q531 I532 Q538 Q539 | Q531-L535 WeakPolarHBondContact O-CB 3.48Å; Q531-L535 PolarHBondContact O-N 3.3Å; I532-L535 PolarHBondContact O-N 3.47Å; L535-Q538 PolarHBondContact O-N 3.26Å; L535-Q539 PolarHBondContact O-N 2.94Å |
| 536 | Q | 92.1 | Very high | 85.7 | Confident | 131 Ų | 131 | 115.8 Ų | 115.8 | 61% | 0.612 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.2 | -40.8 | 176 | -171.9 | 171.2 | 94.5 | 0 | 0 | 111.9 | I532 Q533 H534 Q539 Q540 | I532-Q536 WeakPolarHBondContact O-CB 3.45Å; I532-Q536 PolarHBondContact O-N 3.48Å; Q533-Q536 PolarHBondContact O-N 3.48Å; H534-Q536 VanDerWaalsContact C-N 3.34Å; H534-Q536 PolarHBondContact O-N 3.03Å; Q536-Q539 PolarHBondContact O-N 2.95Å; Q536-Q540 WeakPolarHBondContact O-CB 3.37Å; Q536-Q540 PolarHBondContact O-N 2.95Å |
| 537 | Q | 90.4 | Very high | 83.9 | Confident | 123 Ų | 123 | 117.5 Ų | 117.5 | 58% | 0.575 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.6 | -40.9 | 174.6 | -173 | 172.8 | 95.2 | 0 | 0 | 112 | Q533 H534 Q540 Q541 | Q533-Q537 WeakPolarHBondContact O-CB 3.47Å; Q533-Q537 PolarHBondContact O-N 3.34Å; H534-Q537 PolarHBondContact O-N 3.36Å; Q537-Q540 PolarHBondContact O-N 3.46Å; Q537-Q541 WeakPolarHBondContact O-CB 3.49Å; Q537-Q541 PolarHBondContact O-N 3.01Å |
| 538 | Q | 89.4 | Confident | 81.7 | Confident | 95 Ų | 95 | 117.3 Ų | 117.3 | 44% | 0.444 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.1 | -43 | 174.8 | -174.4 | -176.8 | 96.3 | 0 | 0 | 111.9 | H534 L535 Q541 Q542 | H534-Q538 WeakPolarHBondContact O-CB 3.46Å; H534-Q538 PolarHBondContact O-N 2.95Å; L535-Q538 PolarHBondContact O-N 3.26Å; Q538-Q541 PolarHBondContact O-N 3.4Å; Q538-Q542 PolarHBondContact O-N 3.36Å |
| 539 | Q | 86.4 | Confident | 79.3 | Confident | 114 Ų | 114 | 117.4 Ų | 117.4 | 53% | 0.533 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.1 | -41.6 | 176.3 | -168.4 | -177.1 | 111.8 | 0 | 0 | 111.7 | L535 Q536 Q541 Q542 Q543 | L535-Q539 PolarHBondContact O-N 2.94Å; Q536-Q539 PolarHBondContact O-N 2.95Å; Q539-Q541 VanDerWaalsContact C-N 3.34Å; Q539-Q541 PolarHBondContact O-N 3.39Å; Q539-Q542 PolarHBondContact O-N 2.96Å; Q539-Q543 PolarHBondContact O-N 2.92Å |
| 540 | Q | 83.6 | Confident | 77.2 | Confident | 115 Ų | 115 | 117.7 Ų | 117.7 | 54% | 0.537 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.5 | -39.1 | 175.4 | -171 | 175.2 | 97.6 | 0 | 0 | 111.7 | Q536 Q537 Q543 H544 | Q536-Q540 WeakPolarHBondContact O-CB 3.37Å; Q536-Q540 PolarHBondContact O-N 2.95Å; Q537-Q540 PolarHBondContact O-N 3.46Å; Q540-Q543 PolarHBondContact O-N 3.32Å; Q540-H544 PolarHBondContact O-N 3.05Å; Q540-H544 PolarHBondContact O-ND1 2.93Å |
| 541 | Q | 79.6 | Confident | 75.1 | Confident | 121 Ų | 121 | 116.8 Ų | 116.8 | 57% | 0.565 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.5 | -35.3 | 177.4 | -163.8 | 175.4 | 100.1 | 0 | 0 | 112.5 | Q537 Q538 Q539 H544 Q545 | Q537-Q541 WeakPolarHBondContact O-CB 3.49Å; Q537-Q541 PolarHBondContact O-N 3.01Å; Q538-Q541 PolarHBondContact O-N 3.4Å; Q539-Q541 VanDerWaalsContact C-N 3.34Å; Q539-Q541 PolarHBondContact O-N 3.39Å; Q541-H544 PolarHBondContact O-N 2.99Å; Q541-Q545 PolarHBondContact O-N 3.45Å |
| 542 | Q | 77.8 | Confident | 72.8 | Confident | 122 Ų | 122 | 119.6 Ų | 119.6 | 57% | 0.57 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60.3 | -46.3 | 170 | -99.1 | 177.9 | 70.9 | 0 | 0 | 112.1 | Q538 Q539 H544 Q545 S546 | Q538-Q542 PolarHBondContact O-N 3.36Å; Q539-Q542 PolarHBondContact O-N 2.96Å; Q542-H544 VanDerWaalsContact C-N 3.25Å; Q542-H544 PolarHBondContact O-N 3.43Å; Q542-Q545 PolarHBondContact O-N 3.48Å; Q542-S546 PolarHBondContact O-N 3.42Å; Q542-S546 PolarHBondContact O-OG 3.21Å |
| 543 | Q | 72.9 | Confident | 70.5 | Confident | 116 Ų | 116 | 124 Ų | 124 | 54% | 0.542 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -60.9 | -33.2 | 178 | -68.2 | -179.9 | 13 | 0 | 0 | 112.9 | Q539 Q540 Q547 | Q539-Q543 PolarHBondContact O-N 2.92Å; Q540-Q543 PolarHBondContact O-N 3.32Å; Q543-Q547 PolarHBondContact O-N 3.15Å |
| 544 | H | 62.9 | Low | 68 | Low | 116 Ų | 116 | 122.8 Ų | 122.8 | 54% | 0.537 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -69.7 | -42.7 | 175.2 | -74.4 | 78.4 | 0 | 0 | 0 | 112.1 | Q540 Q541 Q542 S546 Q547 C548 | Q540-H544 PolarHBondContact O-N 3.05Å; Q540-H544 PolarHBondContact O-ND1 2.93Å; Q541-H544 PolarHBondContact O-N 2.99Å; Q542-H544 VanDerWaalsContact C-N 3.25Å; Q542-H544 PolarHBondContact O-N 3.43Å; H544-S546 VanDerWaalsContact C-N 3.31Å; H544-S546 PolarHBondContact O-N 3.24Å; H544-Q547 PolarHBondContact O-N 3.44Å; H544-C548 PolarHBondContact O-N 2.98Å; H544-C548 PolarHBondContact O-SG 3.14Å |
| 545 | Q | 60.8 | Low | 66.6 | Low | 144 Ų | 144 | 123.8 Ų | 123.8 | 67% | 0.673 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -61.1 | -39.7 | 173.8 | -73.2 | -169.3 | 28.1 | 0 | 0 | 112 | Q541 Q542 Q547 C548 | Q541-Q545 PolarHBondContact O-N 3.45Å; Q542-Q545 PolarHBondContact O-N 3.48Å; Q545-Q547 PolarHBondContact O-N 2.9Å; Q545-C548 PolarHBondContact O-N 2.92Å |
| 546 | S | 58.2 | Low | 63.9 | Low | 95 Ų | 95 | 122.5 Ų | 122.5 | 66% | 0.664 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -63 | -22 | 179 | -58.6 | 0 | 0 | 0 | 0 | 114.5 | Q542 H544 | Q542-S546 PolarHBondContact O-N 3.42Å; Q542-S546 PolarHBondContact O-OG 3.21Å; H544-S546 VanDerWaalsContact C-N 3.31Å; H544-S546 PolarHBondContact O-N 3.24Å |
| 547 | Q | 57 | Low | 61.8 | Low | 172 Ų | 172 | 123.2 Ų | 123.2 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -96.7 | -19 | 174.7 | -69.9 | -163.6 | 91.2 | 0 | 0 | 114 | Q543 H544 Q545 S549 | Q543-Q547 PolarHBondContact O-N 3.15Å; H544-Q547 PolarHBondContact O-N 3.44Å; Q545-Q547 PolarHBondContact O-N 2.9Å; Q547-S549 PolarHBondContact O-N 3.21Å; Q547-S549 VanDerWaalsContact O-N 3.12Å |
| 548 | C | 50.3 | Low | 60.7 | Low | 106 Ų | 106 | 122.3 Ų | 122.3 | 72% | 0.716 | 69% | 0.686 | S | S | * | * | trans | -85.1 | 36.3 | -179.5 | -70.7 | 0 | 0 | 0 | 0 | 114.3 | H544 Q545 | H544-C548 PolarHBondContact O-N 2.98Å; H544-C548 PolarHBondContact O-SG 3.14Å; Q545-C548 PolarHBondContact O-N 2.92Å | ||
| 549 | S | 46.1 | Very low | 58.2 | Low | 94 Ų | 94 | 126.6 Ų | 126.6 | 66% | 0.657 | 71% | 0.706 | S | S | * | * | trans | -89.4 | 116.4 | 171.5 | -69.1 | 0 | 0 | 0 | 0 | 110.6 | Q547 | Q547-S549 PolarHBondContact O-N 3.21Å; Q547-S549 VanDerWaalsContact O-N 3.12Å | ||
| 550 | P | 50.1 | Low | 56 | Low | 110 Ų | 110 | 125.5 Ų | 125.5 | 71% | 0.714 | 71% | 0.711 | S | S | * | * | trans | -72.4 | 139.8 | -179.2 | 29.3 | -34.2 | 0 | 0 | 0 | 111.4 | Q552 | P550-Q552 PolarHBondContact O-N 3.48Å; P550-Q552 VanDerWaalsContact O-N 3.16Å | ||
| 551 | P | 49.3 | Very low | 53.9 | Low | 117 Ų | 117 | 126.6 Ų | 126.6 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | trans | -70 | 112.2 | 178.9 | 27.8 | -33.6 | 0 | 0 | 0 | 111.1 | H553 | P551-H553 PolarHBondContact O-N 3.05Š| ||
| 552 | Q | 47 | Very low | 52 | Low | 181 Ų | 181 | 125 Ų | 125 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | trans | -63.6 | 113.9 | 170.1 | -79.7 | -75.2 | -3.1 | 0 | 0 | 110 | P550 | P550-Q552 PolarHBondContact O-N 3.48Å; P550-Q552 VanDerWaalsContact O-N 3.16Å | ||
| 553 | H | 46.5 | Very low | 50 | Low | 172 Ų | 172 | 123.2 Ų | 123.2 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | trans | -72.2 | 126.7 | 175.1 | -100.8 | -119 | 0 | 0 | 0 | 111.1 | P551 | P551-H553 PolarHBondContact O-N 3.05Š| ||
| 554 | S | 40.5 | Very low | 48.4 | Very low | 113 Ų | 113 | 123.2 Ų | 123.2 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -135.7 | 118.7 | 164.4 | -78.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 555 | P | 63.8 | Low | 47.4 | Very low | 138 Ų | 138 | 122.3 Ų | 122.3 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | trans | -85.7 | 132.7 | -179.4 | 32.6 | -32.5 | 0 | 0 | 0 | 112 | ||||
| 556 | G | 38.3 | Very low | 46.3 | Very low | 77 Ų | 77 | 120.5 Ų | 120.5 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -153.7 | 124.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 557 | T | 46.8 | Very low | 45.7 | Very low | 146 Ų | 146 | 124.2 Ų | 124.2 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | trans | -90.5 | 162.7 | -170.6 | 27.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 558 | P | 66.5 | Low | 44.7 | Very low | 104 Ų | 104 | 120 Ų | 120 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | trans | -97.6 | 167.1 | -155.8 | 38.6 | -38.2 | 0 | 0 | 0 | 115 | ||||
| 559 | H | 38.5 | Very low | 44.5 | Very low | 186 Ų | 186 | 120.7 Ų | 120.7 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | 169.5 | 156.2 | 150.5 | -88 | 125.6 | 0 | 0 | 0 | 108 | ||||
| 560 | S | 39.9 | Very low | 44.5 | Very low | 91 Ų | 91 | 122.2 Ų | 122.2 | 64% | 0.636 | 81% | 0.812 | S | S | * | * | cis | -165.4 | 172.2 | -21 | -166.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 561 | V | 39.3 | Very low | 44 | Very low | 137 Ų | 137 | 124.5 Ų | 124.5 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | trans | 42.8 | 107.4 | 162.1 | -71.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 562 | G | 38.7 | Very low | 43.9 | Very low | 87 Ų | 87 | 124.8 Ų | 124.8 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | 84.8 | 162.8 | 119.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 563 | G | 36.3 | Very low | 44 | Very low | 85 Ų | 85 | 120.7 Ų | 120.7 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | trans | 128.6 | 110.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 564 | S | 40 | Very low | 43.8 | Very low | 116 Ų | 116 | 116.6 Ų | 116.6 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -93.2 | 135 | 178.8 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 565 | A | 40.6 | Very low | 44.2 | Very low | 98 Ų | 98 | 120.1 Ų | 120.1 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | 48.2 | 120.5 | 150 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 566 | S | 38.3 | Very low | 43 | Very low | 105 Ų | 105 | 122.4 Ų | 122.4 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | 174.5 | 143.3 | 105.4 | -165.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 567 | L | 45.2 | Very low | 43.1 | Very low | 174 Ų | 174 | 126.9 Ų | 126.9 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | 19.3 | 114.1 | 156.1 | -62.2 | 168.2 | 0 | 0 | 0 | 119.9 | ||||
| 568 | G | 36.1 | Very low | 43.2 | Very low | 82 Ų | 82 | 124.8 Ų | 124.8 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -178 | 84.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 569 | S | 46.2 | Very low | 41.8 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -68.7 | 148.7 | 162.4 | -60.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 570 | P | 46.3 | Very low | 42.3 | Very low | 127 Ų | 127 | 124.6 Ų | 124.6 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | -134.3 | 163.6 | 52.3 | 39 | -22.9 | 0 | 0 | 0 | 117 | |||||
| 571 | Q | 39.9 | Very low | 42.8 | Very low | 158 Ų | 158 | 124.3 Ų | 124.3 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | -107 | 121.3 | -175.7 | 174.2 | -174 | -86.7 | 0 | 0 | 111.3 | ||||
| 572 | P | 47.5 | Very low | 43.3 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 138.7 | 159.8 | -13.5 | 29.4 | 0 | 0 | 0 | 109.9 | ||
| 573 | A | 47.8 | Very low | 43.7 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 128.7 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 574 | P | 42.7 | Very low | 44.2 | Very low | 86 Ų | 86 | 131 Ų | 131 | 56% | 0.558 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 138.2 | 162.1 | 30.6 | -32.8 | 0 | 0 | 0 | 110.1 | ||
| 575 | Q | 48.5 | Very low | 44.6 | Very low | 187 Ų | 187 | 128 Ų | 128 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 132.4 | 172.8 | -67.4 | 168.8 | -39.9 | 0 | 0 | 110.3 | ||
| 576 | Q | 38.9 | Very low | 44.8 | Very low | 186 Ų | 186 | 130.5 Ų | 130.5 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 116.2 | 169 | -70.3 | -169.9 | 3.6 | 0 | 0 | 111 | ||
| 577 | H | 41.8 | Very low | 45.2 | Very low | 171 Ų | 171 | 128.8 Ų | 128.8 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 158.7 | 149.1 | -70.9 | -87.4 | 0 | 0 | 0 | 108.5 | ||
| 578 | P | 47.3 | Very low | 45.3 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | cis | -134.1 | 168.3 | -38.2 | 37.7 | -23.8 | 0 | 0 | 0 | 112 | ||||
| 579 | H | 37.2 | Very low | 45.9 | Very low | 165 Ų | 165 | 128.3 Ų | 128.3 | 76% | 0.764 | 72% | 0.717 | S | S | * | * | trans | -131.3 | 110.3 | 162.5 | -110.5 | -88.4 | 0 | 0 | 0 | 110.9 | S581 | H579-S581 PolarHBondContact O-N 3.18Š| ||
| 580 | P | 50.1 | Low | 45.9 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 78% | 0.779 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 41.9 | -173.4 | 35.3 | -37.4 | 0 | 0 | 0 | 112.9 | ||
| 581 | S | 50 | Low | 45.9 | Very low | 86 Ų | 86 | 128.7 Ų | 128.7 | 60% | 0.601 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | -8.4 | -168.2 | -48.6 | 0 | 0 | 0 | 0 | 114.7 | H579 | H579-S581 PolarHBondContact O-N 3.18Š|
| 582 | Q | 49.3 | Very low | 46.4 | Very low | 148 Ų | 148 | 128.4 Ų | 128.4 | 69% | 0.692 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -92.7 | -29.8 | -178.4 | -84.4 | -80.2 | 17.5 | 0 | 0 | 114.2 | Q584 A585 | Q582-Q584 VanDerWaalsContact C-N 3.29Å; Q582-Q584 PolarHBondContact O-N 3.47Å; Q582-A585 PolarHBondContact O-N 3.44Å |
| 583 | I | 46.5 | Very low | 46.6 | Very low | 146 Ų | 146 | 128.2 Ų | 128.2 | 75% | 0.749 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -69.5 | -27.5 | -172.3 | -64.7 | 176.6 | 0 | 0 | 0 | 112.2 | A585 | I583-A585 VanDerWaalsContact C-N 3.28Å; I583-A585 PolarHBondContact O-N 3.32Å |
| 584 | Q | 47.6 | Very low | 46.4 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -71.9 | -19 | -178.5 | -162.1 | 160.4 | 3.4 | 0 | 0 | 113.6 | Q582 | Q582-Q584 VanDerWaalsContact C-N 3.29Å; Q582-Q584 PolarHBondContact O-N 3.47Å |
| 585 | A | 49.3 | Very low | 46.7 | Very low | 54 Ų | 54 | 132.4 Ų | 132.4 | 45% | 0.446 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -71.4 | -33.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q582 I583 | Q582-A585 PolarHBondContact O-N 3.44Å; I583-A585 VanDerWaalsContact C-N 3.28Å; I583-A585 PolarHBondContact O-N 3.32Å |
| 586 | H | 45.2 | Very low | 46.2 | Very low | 151 Ų | 151 | 138 Ų | 138 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -81.7 | -19.9 | -177.6 | -84.9 | -90.3 | 0 | 0 | 0 | 114.1 | ||
| 587 | A | 46.2 | Very low | 46.6 | Very low | 69 Ų | 69 | 135.6 Ų | 135.6 | 57% | 0.57 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -73.5 | -28.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 588 | Q | 46.8 | Very low | 46.9 | Very low | 146 Ų | 146 | 133.7 Ų | 133.7 | 68% | 0.682 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -80.4 | -24.5 | -175.3 | -68.9 | -171.9 | -38.4 | 0 | 0 | 114 | S591 | Q588-S591 PolarHBondContact O-N 2.97Å |
| 589 | V | 48.4 | Very low | 46.8 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 61% | 0.606 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -71.9 | -32.2 | -174.7 | -178.6 | 0 | 0 | 0 | 0 | 112.6 | S591 Q592 | V589-S591 PolarHBondContact O-N 3.33Å; V589-Q592 PolarHBondContact O-N 3.2Å |
| 590 | L | 47.3 | Very low | 47.4 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -76.4 | -7.4 | 179.1 | -71.3 | 171 | 0 | 0 | 0 | 114.1 | Q592 | L590-Q592 VanDerWaalsContact C-N 3.28Š|
| 591 | S | 46.2 | Very low | 47.2 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -80.9 | -4.4 | 172.1 | -169 | 0 | 0 | 0 | 0 | 113.7 | Q588 V589 | Q588-S591 PolarHBondContact O-N 2.97Å; V589-S591 PolarHBondContact O-N 3.33Å |
| 592 | Q | 49.8 | Very low | 47 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 72% | 0.715 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -106.6 | 12.2 | -173.5 | -83.7 | -78.8 | 37.4 | 0 | 0 | 114.6 | V589 L590 | V589-Q592 PolarHBondContact O-N 3.2Å; L590-Q592 VanDerWaalsContact C-N 3.28Å |
| 593 | V | 51.1 | Low | 46.9 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 72% | 0.715 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -126.3 | 60.8 | 178.8 | -165.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 594 | S | 44.3 | Very low | 46.9 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -155.6 | 31 | 168.3 | -74.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 595 | I | 48.5 | Very low | 46.9 | Very low | 152 Ų | 152 | 134.9 Ų | 134.9 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | trans | -133.5 | 79 | 170.5 | -52.6 | -179.6 | 0 | 0 | 0 | 108.1 | ||||
| 596 | Y | 39.2 | Very low | 46.6 | Very low | 304 Ų | 304 | 142.3 Ų | 142.3 | 100% | 1.192 | 75% | 0.754 | S | S | * | * | trans | -159.6 | 0 | 161.8 | -119.3 | -74.3 | 0 | 0 | 0 | 109.4 |
Retrieved 596 of 596 residues in 250.9 ms
(Link to these results)