| 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 | 39.5 | Very low | 39.6 | Very low | 239 Ų | 239 | 134.5 Ų | 134.5 | 100% | 1.177 | 86% | 0.864 | S | S | * | * | 0 | 119.8 | 0 | -66.1 | -60.6 | -153.1 | 0 | 0 | 107.7 | |||||
| 2 | A | 38.2 | Very low | 39.9 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 79% | 0.793 | 85% | 0.854 | S | S | * | * | trans | 39.9 | 106.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 3 | A | 39 | Very low | 39.9 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 84% | 0.843 | 84% | 0.842 | S | S | * | * | 62.9 | 140.3 | 58.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 4 | A | 47.1 | Very low | 39.8 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | cis | -141.3 | 176.7 | 18.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 5 | V | 38.9 | Very low | 39.6 | Very low | 134 Ų | 134 | 129.8 Ų | 129.8 | 81% | 0.812 | 84% | 0.835 | S | S | * | * | trans | -132.7 | 145.9 | -179.1 | 171.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 6 | R | 41.8 | Very low | 39.3 | Very low | 238 Ų | 238 | 128.2 Ų | 128.2 | 90% | 0.898 | 83% | 0.829 | S | S | * | * | trans | -166.9 | 122.6 | 154.4 | -100.6 | 145 | -173.4 | 178.6 | 1.9 | 108.1 | ||||
| 7 | A | 42.2 | Very low | 39.1 | Very low | 86 Ų | 86 | 130.4 Ų | 130.4 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | 71.7 | 115.9 | 81.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 8 | A | 38 | Very low | 39 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 90% | 0.901 | 84% | 0.838 | S | S | * | * | cis | 84.5 | 119 | 35.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 9 | G | 37.4 | Very low | 38.9 | Very low | 74 Ų | 74 | 132.9 Ų | 132.9 | 76% | 0.763 | 84% | 0.839 | S | S | * | * | trans | 171 | 131.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 10 | C | 39.4 | Very low | 38.8 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 91% | 0.912 | 84% | 0.836 | S | S | * | * | trans | 64.7 | 108.1 | 154.2 | -57 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 11 | L | 34.4 | Very low | 38.5 | Very low | 167 Ų | 167 | 132.5 Ų | 132.5 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | trans | -85.5 | -171.8 | 137.4 | -81.8 | 167.9 | 0 | 0 | 0 | 108.7 | ||||
| 12 | P | 43.4 | Very low | 38.3 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 75% | 0.747 | 82% | 0.821 | S | S | * | * | cis | -147.3 | -158.2 | 16.2 | 45.3 | -23.2 | 0 | 0 | 0 | 117.1 | ||||
| 13 | A | 39.8 | Very low | 38.3 | Very low | 85 Ų | 85 | 133 Ų | 133 | 70% | 0.702 | 82% | 0.82 | S | S | * | * | trans | 75.8 | 150.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 14 | L | 38.1 | Very low | 37.8 | Very low | 154 Ų | 154 | 133.1 Ų | 133.1 | 81% | 0.806 | 82% | 0.815 | S | S | * | * | cis | -163.6 | 153.5 | -11.3 | -112.1 | 169.6 | 0 | 0 | 0 | 110.5 | ||||
| 15 | C | 36.2 | Very low | 37.3 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | 61.2 | 160.1 | 158.7 | -76.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 16 | S | 35.6 | Very low | 37.1 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | cis | -158.1 | 169.8 | -9.9 | 39.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 17 | L | 35.2 | Very low | 36.9 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -43 | 150.4 | -177 | -56.8 | 89.6 | 0 | 0 | 0 | 118.8 | ||||
| 18 | Q | 37.9 | Very low | 36.3 | Very low | 206 Ų | 206 | 138.7 Ų | 138.7 | 96% | 0.963 | 82% | 0.818 | S | S | * | * | -157 | 173.6 | 110.3 | -127.5 | 176.8 | -20.2 | 0 | 0 | 113 | |||||
| 19 | A | 36.6 | Very low | 36.4 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -111.6 | 162.5 | -165.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 20 | G | 37.3 | Very low | 36.2 | Very low | 76 Ų | 76 | 144.8 Ų | 144.8 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | trans | -167.5 | 118.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 21 | H | 32.6 | Very low | 36.2 | Very low | 181 Ų | 181 | 143.2 Ų | 143.2 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | trans | -70.7 | 156.1 | 175.5 | -60.1 | -109.9 | 0 | 0 | 0 | 111.4 | ||||
| 22 | F | 35.4 | Very low | 36.2 | Very low | 196 Ų | 196 | 143.9 Ų | 143.9 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | -159.2 | 120.3 | 130 | -113.5 | -71.1 | 0 | 0 | 0 | 114.5 | |||||
| 23 | L | 38.2 | Very low | 36.3 | Very low | 150 Ų | 150 | 144 Ų | 144 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | 19.7 | 139.9 | 161.4 | -73.5 | 166.6 | 0 | 0 | 0 | 123.8 | ||||
| 24 | S | 29.3 | Very low | 36.2 | Very low | 105 Ų | 105 | 146.4 Ų | 146.4 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | trans | -72.2 | 158.2 | 162.7 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 25 | R | 35.8 | Very low | 36.3 | Very low | 225 Ų | 225 | 144 Ų | 144 | 85% | 0.849 | 82% | 0.818 | S | S | * | * | trans | -146.5 | 101.3 | 154.9 | -143.3 | 174.9 | -168.2 | -161.7 | 2.7 | 112.5 | ||||
| 26 | Q | 34.5 | Very low | 36.2 | Very low | 184 Ų | 184 | 143.2 Ų | 143.2 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -71.9 | 134.7 | 156.9 | -70.2 | 178.6 | -19.9 | 0 | 0 | 108.5 | ||||
| 27 | L | 37.7 | Very low | 36.4 | Very low | 157 Ų | 157 | 144.5 Ų | 144.5 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | trans | -148.1 | 111.5 | 149.9 | -94 | -175.6 | 0 | 0 | 0 | 109.3 | ||||
| 28 | S | 29.1 | Very low | 36.2 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | trans | -132.5 | 128.4 | 161.8 | 58.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 29 | L | 40 | Very low | 36.2 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | trans | -164.2 | 165.8 | 147.7 | -107.9 | 166.8 | 0 | 0 | 0 | 109.7 | ||||
| 30 | N | 33.1 | Very low | 36.1 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | trans | -104.4 | 154.9 | -167.7 | -50.3 | -73.3 | 0 | 0 | 0 | 112 | ||||
| 31 | A | 39.9 | Very low | 36.3 | Very low | 101 Ų | 101 | 145.8 Ų | 145.8 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | -146 | 136.4 | 152.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 32 | F | 34.5 | Very low | 36.3 | Very low | 182 Ų | 182 | 143 Ų | 143 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | trans | -111.6 | 153.1 | 164.5 | -74.6 | -88.6 | 0 | 0 | 0 | 107.9 | ||||
| 33 | P | 45.2 | Very low | 36.4 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | -125 | 154.3 | 100.7 | 4.9 | 16.4 | 0 | 0 | 0 | 110.8 | |||||
| 34 | V | 37.4 | Very low | 36.2 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | cis | 67.4 | 85.3 | 44 | -171.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 35 | A | 41.3 | Very low | 36.4 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | -151.7 | 130.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 36 | A | 33.8 | Very low | 36.4 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -134 | 127.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 37 | T | 39.6 | Very low | 36.3 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -157 | 127.9 | 161.2 | 10.9 | 0 | 0 | 0 | 0 | 108.5 | F39 | T37-F39 HydrophobicContact CG2-CE2 4.16Š| ||
| 38 | S | 32.1 | Very low | 36.3 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -126.2 | 116.8 | 175.9 | 55.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 39 | F | 38 | Very low | 36.6 | Very low | 197 Ų | 197 | 134.4 Ų | 134.4 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -120.4 | 116.3 | 169.4 | -79.8 | -75.3 | 0 | 0 | 0 | 110.2 | T37 | T37-F39 HydrophobicContact CG2-CE2 4.16Š| ||
| 40 | L | 34.5 | Very low | 36.3 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | trans | -95.7 | 122.1 | 168.1 | -103.5 | 161.8 | 0 | 0 | 0 | 107.3 | ||||
| 41 | A | 40 | Very low | 36.4 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -135.2 | 114.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 42 | V | 34.1 | Very low | 36.1 | Very low | 124 Ų | 124 | 133 Ų | 133 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -112 | 128.3 | 172.4 | 172.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 43 | K | 36.3 | Very low | 36.1 | Very low | 208 Ų | 208 | 128.3 Ų | 128.3 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | trans | -156.4 | 158 | 150.3 | -115.2 | 164.5 | -173.6 | -178.6 | 0 | 112.1 | ||||
| 44 | T | 34.8 | Very low | 35.6 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -92.8 | 146.9 | -160.9 | 40 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 45 | A | 32.9 | Very low | 35.5 | Very low | 91 Ų | 91 | 132.5 Ų | 132.5 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | 21.7 | 134.1 | 142 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 46 | L | 36.7 | Very low | 35.3 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | -155.6 | 176.9 | 109.9 | -105.9 | 165 | 0 | 0 | 0 | 111 | |||||
| 47 | S | 30.9 | Very low | 35.5 | Very low | 85 Ų | 85 | 139.7 Ų | 139.7 | 59% | 0.594 | 78% | 0.781 | S | S | * | * | trans | -99.5 | -173.4 | -167.3 | 50 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 48 | H | 38.6 | Very low | 35.3 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | 80.9 | 130.7 | -178.5 | -45.6 | -77.4 | 0 | 0 | 0 | 115.2 | ||||
| 49 | G | 34.3 | Very low | 35.7 | Very low | 75 Ų | 75 | 146.3 Ų | 146.3 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | cis | 133.1 | 89.1 | -26.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 50 | S | 34.9 | Very low | 35.5 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -173.5 | 152.8 | 152.3 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 51 | L | 35 | Very low | 35.5 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | 13.9 | 145.7 | 147.7 | -73.7 | 88.9 | 0 | 0 | 0 | 119.9 | ||||
| 52 | S | 32.8 | Very low | 35.3 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | cis | -171.3 | -165.5 | -5.4 | -157.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 53 | S | 35.3 | Very low | 35.4 | Very low | 83 Ų | 83 | 146.2 Ų | 146.2 | 58% | 0.58 | 78% | 0.784 | S | S | * | * | cis | -161.5 | 158.7 | -0.1 | 84.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 54 | R | 35.4 | Very low | 35.4 | Very low | 212 Ų | 212 | 141.4 Ų | 141.4 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | 64.5 | 158.7 | 155.1 | -61.9 | 179.1 | 89.3 | 151.6 | 5 | 117 | ||||
| 55 | E | 35.1 | Very low | 35.5 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 60% | 0.598 | 78% | 0.782 | S | S | * | * | cis | -166 | 165.1 | -21.4 | -111.7 | -159.7 | 93.5 | 0 | 0 | 108.8 | ||||
| 56 | T | 37 | Very low | 35.8 | Very low | 98 Ų | 98 | 143.6 Ų | 143.6 | 60% | 0.601 | 78% | 0.778 | S | S | * | * | cis | -152.9 | 154.5 | -20.2 | -8.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 57 | R | 36.8 | Very low | 35.9 | Very low | 254 Ų | 254 | 144 Ų | 144 | 96% | 0.958 | 77% | 0.774 | S | S | * | * | trans | -167.9 | 147.9 | 131.8 | -108.6 | 168.6 | -168.9 | -155.1 | 0.4 | 112.8 | ||||
| 58 | R | 34.9 | Very low | 36.2 | Very low | 212 Ų | 212 | 145.8 Ų | 145.8 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | -88 | 153.1 | -169.5 | -66.3 | 170.9 | 171.1 | 158.7 | -5 | 112.6 | ||||
| 59 | N | 41.2 | Very low | 36.1 | Very low | 167 Ų | 167 | 144.8 Ų | 144.8 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | -165.7 | 108.2 | 119.3 | -94.6 | -13.7 | 0 | 0 | 0 | 109.6 | |||||
| 60 | H | 34.3 | Very low | 36.3 | Very low | 174 Ų | 174 | 150.6 Ų | 150.6 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | trans | -99.4 | 151.8 | 173.3 | -62.6 | -96.2 | 0 | 0 | 0 | 110 | ||||
| 61 | C | 34.4 | Very low | 36.6 | Very low | 113 Ų | 113 | 151.6 Ų | 151.6 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | -161.8 | 131.6 | 131 | -120.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 62 | L | 36.3 | Very low | 36.8 | Very low | 160 Ų | 160 | 153 Ų | 153 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | 53.9 | 86.4 | 148.2 | -58.6 | 170.9 | 0 | 0 | 0 | 118.7 | ||||
| 63 | T | 36.7 | Very low | 37.1 | Very low | 143 Ų | 143 | 153.7 Ų | 153.7 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -153.9 | 151.3 | 136.3 | -5.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 64 | S | 36 | Very low | 37.1 | Very low | 106 Ų | 106 | 156.5 Ų | 156.5 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | trans | 66.1 | 80.9 | -179.9 | -173.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 65 | L | 36 | Very low | 37.5 | Very low | 169 Ų | 169 | 152.2 Ų | 152.2 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | trans | -132.8 | 87.6 | 149.4 | -91 | 176.2 | 0 | 0 | 0 | 109 | ||||
| 66 | S | 39.1 | Very low | 37.8 | Very low | 96 Ų | 96 | 151.4 Ų | 151.4 | 67% | 0.671 | 82% | 0.82 | S | S | * | * | trans | -157 | 32.6 | 176.7 | 68.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 67 | H | 38.3 | Very low | 38 | Very low | 180 Ų | 180 | 152.7 Ų | 152.7 | 83% | 0.833 | 83% | 0.833 | S | S | * | * | trans | -152.3 | 67.5 | 175.2 | -84.8 | -63.1 | 0 | 0 | 0 | 111.4 | ||||
| 68 | V | 37.4 | Very low | 38.3 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | trans | -141.2 | 155.1 | 162.7 | -174 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 69 | L | 36.8 | Very low | 39 | Very low | 164 Ų | 164 | 139 Ų | 139 | 86% | 0.859 | 82% | 0.817 | S | S | * | * | trans | 73 | 61.4 | -172.8 | -50.3 | 179.1 | 0 | 0 | 0 | 115.1 | ||||
| 70 | Q | 38.8 | Very low | 39.1 | Very low | 197 Ų | 197 | 138.9 Ų | 138.9 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -144.2 | 65 | 153.5 | -155.2 | 169 | 15.3 | 0 | 0 | 112.1 | ||||
| 71 | T | 41.8 | Very low | 39.6 | Very low | 129 Ų | 129 | 142 Ų | 142 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -129.8 | 131.8 | 167 | 47.3 | 0 | 0 | 0 | 0 | 107.8 | ||
| 72 | Q | 39.4 | Very low | 40.5 | Very low | 194 Ų | 194 | 142.9 Ų | 142.9 | 91% | 0.907 | 82% | 0.824 | S | S | * | * | S | Bend | trans | 62 | 75.9 | 179.5 | -57 | -180 | -2.8 | 0 | 0 | 115.8 | ||
| 73 | C | 38.7 | Very low | 41.1 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | -163.2 | 120.9 | 142.6 | -111.8 | 0 | 0 | 0 | 0 | 109.1 | V75 | C73-V75 PolarHBondContact O-N 3.19Š| ||
| 74 | C | 34.5 | Very low | 42.2 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 97% | 0.966 | 81% | 0.813 | S | S | * | * | trans | -82 | 95.7 | -178 | -66.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 75 | V | 44.7 | Very low | 43.2 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 74% | 0.739 | 82% | 0.816 | S | S | * | * | trans | -118.8 | 127.1 | 167.9 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | C73 | C73-V75 PolarHBondContact O-N 3.19Š| ||
| 76 | S | 41.5 | Very low | 44.2 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -58.4 | 138.1 | -176.9 | 41.8 | 0 | 0 | 0 | 0 | 112.4 | P78 | S76-P78 WeakPolarHBondContact O-CD 3.39Š| ||
| 77 | S | 40.3 | Very low | 45.3 | Very low | 125 Ų | 125 | 145.2 Ų | 145.2 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -87.6 | 127.8 | -176.1 | -50.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 78 | P | 44.1 | Very low | 47.1 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | trans | -119.4 | 114.9 | 167.4 | 29.8 | -11.5 | 0 | 0 | 0 | 112.4 | S76 | S76-P78 WeakPolarHBondContact O-CD 3.39Š| ||
| 79 | G | 49.1 | Very low | 49.1 | Very low | 71 Ų | 71 | 145 Ų | 145 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 86.5 | 149.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | W81 | G79-W81 PolarHBondContact O-N 3.19Š|
| 80 | N | 42.3 | Very low | 51.6 | Low | 164 Ų | 164 | 139.7 Ų | 139.7 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -76.2 | 98.1 | 174.1 | -78.8 | -38 | 0 | 0 | 0 | 110.9 | T82 | N80-T82 PolarHBondContact O-N 3Š| ||
| 81 | W | 46.1 | Very low | 54.1 | Low | 239 Ų | 239 | 137.6 Ų | 137.6 | 91% | 0.905 | 77% | 0.773 | S | S | * | * | trans | -72.4 | 92.6 | 171.7 | -76.8 | 73.3 | 0 | 0 | 0 | 111.1 | G79 G83 | G79-W81 PolarHBondContact O-N 3.19Å; W81-G83 VanDerWaalsContact C-N 3.31Å; W81-G83 PolarHBondContact O-N 3.24Å | ||
| 82 | T | 53.1 | Low | 56.5 | Low | 132 Ų | 132 | 140.4 Ų | 140.4 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -68.4 | 87.8 | 168.3 | 50.7 | 0 | 0 | 0 | 0 | 110 | N80 Q84 | N80-T82 PolarHBondContact O-N 3Å; T82-Q84 PolarHBondContact O-N 3.04Å | ||
| 83 | G | 48.6 | Very low | 59 | Low | 69 Ų | 69 | 134.5 Ų | 134.5 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | -60.4 | 94.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | W81 Q85 | W81-G83 VanDerWaalsContact C-N 3.31Å; W81-G83 PolarHBondContact O-N 3.24Å; G83-Q85 PolarHBondContact O-N 2.89Å | ||
| 84 | Q | 59.1 | Low | 61.6 | Low | 168 Ų | 168 | 133.6 Ų | 133.6 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | -66.9 | 116.7 | 176.4 | -178.7 | 172.3 | -22.4 | 0 | 0 | 110.1 | T82 C86 | T82-Q84 PolarHBondContact O-N 3.04Å; Q84-C86 VanDerWaalsContact C-N 3.27Å; Q84-C86 PolarHBondContact O-N 2.65Å | ||
| 85 | Q | 56.6 | Low | 64.5 | Low | 170 Ų | 170 | 131.8 Ų | 131.8 | 79% | 0.794 | 71% | 0.713 | S | S | * | * | trans | -71.2 | 78.9 | 177.2 | -74.2 | -165.6 | -7.9 | 0 | 0 | 112.1 | G83 R87 | G83-Q85 PolarHBondContact O-N 2.89Å; Q85-R87 PolarHBondContact O-N 2.89Å | ||
| 86 | C | 57.1 | Low | 66.9 | Low | 101 Ų | 101 | 129.6 Ų | 129.6 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | trans | -67.3 | 97.7 | 169.7 | -69.8 | 0 | 0 | 0 | 0 | 110.4 | Q84 | Q84-C86 VanDerWaalsContact C-N 3.27Å; Q84-C86 PolarHBondContact O-N 2.65Å | ||
| 87 | R | 63.9 | Low | 69.5 | Low | 215 Ų | 215 | 126.6 Ų | 126.6 | 81% | 0.811 | 68% | 0.683 | S | S | * | * | trans | -74.4 | 125.3 | 165.7 | -67.6 | -175 | 178.3 | -164.4 | -2.6 | 108.9 | Q85 Y89 | Q85-R87 PolarHBondContact O-N 2.89Å; R87-Y89 PolarHBondContact O-N 2.88Å; R87-Y89 VanDerWaalsContact O-N 3.11Å | ||
| 88 | P | 74.1 | Confident | 72.2 | Confident | 122 Ų | 122 | 126.2 Ų | 126.2 | 79% | 0.792 | 67% | 0.667 | S | S | * | * | trans | -65.7 | 113.7 | 177.2 | 26.4 | -33.2 | 0 | 0 | 0 | 109.7 | ||||
| 89 | Y | 79.7 | Confident | 74.7 | Confident | 176 Ų | 176 | 125 Ų | 125 | 69% | 0.69 | 65% | 0.652 | S | S | * | * | trans | -107.5 | 103.7 | 179.7 | -179 | -110.9 | 0 | 0 | 0 | 109.7 | R87 K94 | R87-Y89 PolarHBondContact O-N 2.88Å; R87-Y89 VanDerWaalsContact O-N 3.11Å; Y89-K94 HydrophobicContact CE2-CG 4.33Å; Y89-K94 PolarHBondContact OH-NZ 2.97Å | ||
| 90 | S | 89.9 | Confident | 76.9 | Confident | 53 Ų | 53 | 126.5 Ų | 126.5 | 37% | 0.371 | 64% | 0.643 | S | S | . | * | trans | -114.3 | 169.5 | 177.3 | 78.2 | 0 | 0 | 0 | 0 | 111.5 | F92 T93 | S90-F92 VanDerWaalsContact C-N 3.26Å; S90-F92 PolarHBondContact O-N 3.45Å; S90-F92 PolarHBondContact OG-N 3.06Å; S90-T93 PolarHBondContact N-OG1 2.9Å; S90-T93 PolarHBondContact O-N 3.35Å; S90-T93 VanDerWaalsContact O-N 3.09Å; S90-T93 PolarHBondContact O-OG1 3.35Å | ||
| 91 | F | 91.7 | Very high | 79.5 | Confident | 154 Ų | 154 | 121.3 Ų | 121.3 | 68% | 0.675 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -52.3 | -45.6 | 173.2 | 179.2 | -99.8 | 0 | 0 | 0 | 112.2 | T93 K94 | F91-T93 PolarHBondContact O-N 3.27Å; F91-K94 HydrophobicContact CD2-CD 4.09Å; F91-K94 WeakPolarHBondContact O-CB 3.19Å; F91-K94 WeakPolarHBondContact O-CG 3.42Å; F91-K94 PolarHBondContact O-N 3.39Å |
| 92 | F | 91.6 | Very high | 81.9 | Confident | 188 Ų | 188 | 117.6 Ų | 117.6 | 83% | 0.825 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -69 | -10.4 | -179.4 | -53.1 | -73.9 | 0 | 0 | 0 | 114.6 | S90 | S90-F92 VanDerWaalsContact C-N 3.26Å; S90-F92 PolarHBondContact O-N 3.45Å; S90-F92 PolarHBondContact OG-N 3.06Å |
| 93 | T | 92 | Very high | 83.9 | Confident | 69 Ų | 69 | 114 Ų | 114 | 42% | 0.423 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -93.1 | 3.5 | 174.5 | 62.7 | 0 | 0 | 0 | 0 | 113.9 | S90 F91 | S90-T93 PolarHBondContact N-OG1 2.9Å; S90-T93 PolarHBondContact O-N 3.35Å; S90-T93 VanDerWaalsContact O-N 3.09Å; S90-T93 PolarHBondContact O-OG1 3.35Å; F91-T93 PolarHBondContact O-N 3.27Å |
| 94 | K | 93.5 | Very high | 86.1 | Confident | 106 Ų | 106 | 112.7 Ų | 112.7 | 46% | 0.461 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -81.1 | 131 | 178.7 | -63.7 | 169.7 | -171.7 | -77.5 | 0 | 110.3 | Y89 F91 | Y89-K94 HydrophobicContact CE2-CG 4.33Å; Y89-K94 PolarHBondContact OH-NZ 2.97Å; F91-K94 HydrophobicContact CD2-CD 4.09Å; F91-K94 WeakPolarHBondContact O-CB 3.19Å; F91-K94 WeakPolarHBondContact O-CG 3.42Å; F91-K94 PolarHBondContact O-N 3.39Å |
| 95 | L | 94.8 | Very high | 87.9 | Confident | 104 Ų | 104 | 106.1 Ų | 106.1 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -102.6 | 164.2 | 177 | -56.8 | -177.2 | 0 | 0 | 0 | 111.7 | E99 L100 | L95-E99 HydrophobicContact CB-CB 4.32Å; L95-L100 HydrophobicContact CB-CD2 4.37Å; L95-L100 HydrophobicContact CB-CG 4.36Å |
| 96 | T | 96.4 | Very high | 89.7 | Confident | 77 Ų | 77 | 101 Ų | 101 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -68 | 155.9 | 177.4 | 69.2 | 0 | 0 | 0 | 0 | 112.2 | E98 E99 L100 | T96-E98 PolarHBondContact O-N 2.82Å; T96-E99 VanDerWaalsContact CB-OE1 3.28Å; T96-E99 WeakPolarHBondContact CB-OE1 3.31Å; T96-E99 WeakPolarHBondContact CG2-OE1 3.28Å; T96-E99 PolarHBondContact N-OE1 3.4Å; T96-E99 PolarHBondContact O-N 3.09Å; T96-E99 WeakPolarHBondContact OG1-CG 3.49Å; T96-E99 PolarHBondContact OG1-N 2.89Å; T96-E99 PolarHBondContact OG1-OE1 3.18Å; T96-L100 WeakPolarHBondContact O-CG 3.46Å; T96-L100 PolarHBondContact O-N 2.99Å; T96-L100 VanDerWaalsContact O-N 3.1Å |
| 97 | A | 96.3 | Very high | 91.4 | Very high | 48 Ų | 48 | 101.2 Ų | 101.2 | 40% | 0.397 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.1 | -30 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | W101 | A97-W101 WeakPolarHBondContact O-CB 3.37Å; A97-W101 PolarHBondContact O-N 2.87Å |
| 98 | E | 96.3 | Very high | 92.8 | Very high | 116 Ų | 116 | 96.6 Ų | 96.6 | 54% | 0.542 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.6 | -51.6 | 175.5 | -72.6 | -88.7 | 99 | 0 | 0 | 111.5 | T96 W101 K102 R125 | T96-E98 PolarHBondContact O-N 2.82Å; E98-W101 PolarHBondContact O-N 3.22Å; E98-K102 WeakPolarHBondContact O-CB 3.24Å; E98-K102 PolarHBondContact O-N 2.85Å; E98-R125 IonicContact OE1-CZ 2.87Å; E98-R125 VanDerWaalsContact OE1-CZ 3.26Å; E98-R125 IonicContact OE1-NH1 2.69Å; E98-R125 PolarHBondContact OE1-NH1 3.06Å; E98-R125 IonicContact OE1-NH2 2.65Å; E98-R125 PolarHBondContact OE1-NH2 2.87Å |
| 99 | E | 96 | Very high | 93.6 | Very high | 84 Ų | 84 | 92.3 Ų | 92.3 | 39% | 0.393 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 179 | -65.7 | 161.6 | -95.3 | 0 | 0 | 111.9 | L95 T96 W101 K102 G103 | L95-E99 HydrophobicContact CB-CB 4.32Å; T96-E99 VanDerWaalsContact CB-OE1 3.28Å; T96-E99 WeakPolarHBondContact CB-OE1 3.31Å; T96-E99 WeakPolarHBondContact CG2-OE1 3.28Å; T96-E99 PolarHBondContact N-OE1 3.4Å; T96-E99 PolarHBondContact O-N 3.09Å; T96-E99 WeakPolarHBondContact OG1-CG 3.49Å; T96-E99 PolarHBondContact OG1-N 2.89Å; T96-E99 PolarHBondContact OG1-OE1 3.18Å; E99-W101 VanDerWaalsContact C-N 3.35Å; E99-W101 PolarHBondContact O-N 3.23Å; E99-K102 WeakPolarHBondContact O-CB 3.36Å; E99-K102 PolarHBondContact O-N 2.8Å; E99-G103 PolarHBondContact O-N 3.03Å |
| 100 | L | 96.2 | Very high | 94.2 | Very high | 102 Ų | 102 | 87.1 Ų | 87.1 | 53% | 0.534 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 177.5 | -66.9 | 173.2 | 0 | 0 | 0 | 111.1 | L95 T96 A104 | L95-L100 HydrophobicContact CB-CD2 4.37Å; L95-L100 HydrophobicContact CB-CG 4.36Å; T96-L100 WeakPolarHBondContact O-CG 3.46Å; T96-L100 PolarHBondContact O-N 2.99Å; T96-L100 VanDerWaalsContact O-N 3.1Å; L100-A104 WeakPolarHBondContact O-CB 3.46Å; L100-A104 PolarHBondContact O-N 3.03Å |
| 101 | W | 97.3 | Very high | 94.3 | Very high | 55 Ų | 55 | 86.2 Ų | 86.2 | 21% | 0.208 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -69.1 | -40.2 | 175.5 | -81.7 | 116.3 | 0 | 0 | 0 | 112.9 | A97 E98 E99 G103 A104 L105 R125 K126 | A97-W101 WeakPolarHBondContact O-CB 3.37Å; A97-W101 PolarHBondContact O-N 2.87Å; E98-W101 PolarHBondContact O-N 3.22Å; E99-W101 VanDerWaalsContact C-N 3.35Å; E99-W101 PolarHBondContact O-N 3.23Å; W101-G103 PolarHBondContact O-N 3.27Å; W101-A104 PolarHBondContact O-N 3.11Å; W101-L105 HydrophobicContact CB-CD1 4.44Å; W101-L105 HydrophobicContact CE3-CD1 4.19Å; W101-L105 HydrophobicContact CE3-CD2 4.18Å; W101-L105 HydrophobicContact CE3-CG 4.03Å; W101-L105 HydrophobicContact CZ3-CD2 4.34Å; W101-L105 WeakPolarHBondContact O-CB 3.49Å; W101-L105 WeakPolarHBondContact O-CD1 3.39Å; W101-L105 WeakPolarHBondContact O-CG 3.46Å; W101-L105 PolarHBondContact O-N 2.91Å; W101-R125 HydrophobicContact CB-CG 4.38Å; W101-R125 HydrophobicContact CD2-CG 3.84Å; W101-R125 HydrophobicContact CE3-CB 4.42Å; W101-R125 HydrophobicContact CE3-CG 4.21Å; W101-R125 HydrophobicContact CG-CG 3.89Å; W101-K126 HydrophobicContact CH2-CB 4.19Å; W101-K126 HydrophobicContact CZ2-CB 4.1Å; W101-K126 WeakPolarHBondContact CZ2-O 3.41Å; W101-K126 PolarHBondContact NE1-O 2.87Å |
| 102 | K | 96.2 | Very high | 94.3 | Very high | 161 Ų | 161 | 81.9 Ų | 81.9 | 70% | 0.7 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.7 | -47.6 | 176.5 | -178.7 | -179.9 | -179.9 | -178.4 | 0 | 111.3 | E98 E99 A106 | E98-K102 WeakPolarHBondContact O-CB 3.24Å; E98-K102 PolarHBondContact O-N 2.85Å; E99-K102 WeakPolarHBondContact O-CB 3.36Å; E99-K102 PolarHBondContact O-N 2.8Å; K102-A106 PolarHBondContact O-N 3.35Å |
| 103 | G | 94.9 | Very high | 94.3 | Very high | 56 Ų | 56 | 82.8 Ų | 82.8 | 58% | 0.577 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66 | -49.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E99 W101 L105 A106 | E99-G103 PolarHBondContact O-N 3.03Å; W101-G103 PolarHBondContact O-N 3.27Å; G103-L105 VanDerWaalsContact C-N 3.33Å; G103-L105 PolarHBondContact O-N 3.27Å; G103-A106 PolarHBondContact O-N 2.81Å |
| 104 | A | 95.6 | Very high | 94.3 | Very high | 41 Ų | 41 | 86 Ų | 86 | 34% | 0.339 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.3 | -32.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L100 W101 K123 | L100-A104 WeakPolarHBondContact O-CB 3.46Å; L100-A104 PolarHBondContact O-N 3.03Å; W101-A104 PolarHBondContact O-N 3.11Å; A104-K123 WeakPolarHBondContact O-CD 3.37Å; A104-K123 WeakPolarHBondContact O-CE 3.5Å; A104-K123 PolarHBondContact O-NZ 3.5Å |
| 105 | L | 96.1 | Very high | 94.2 | Very high | 31 Ų | 31 | 83.9 Ų | 83.9 | 16% | 0.162 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -84.6 | -28.3 | 179.7 | -63.3 | 169.2 | 0 | 0 | 0 | 113.5 | W101 G103 E107 K123 R125 | W101-L105 HydrophobicContact CB-CD1 4.44Å; W101-L105 HydrophobicContact CE3-CD1 4.19Å; W101-L105 HydrophobicContact CE3-CD2 4.18Å; W101-L105 HydrophobicContact CE3-CG 4.03Å; W101-L105 HydrophobicContact CZ3-CD2 4.34Å; W101-L105 WeakPolarHBondContact O-CB 3.49Å; W101-L105 WeakPolarHBondContact O-CD1 3.39Å; W101-L105 WeakPolarHBondContact O-CG 3.46Å; W101-L105 PolarHBondContact O-N 2.91Å; G103-L105 VanDerWaalsContact C-N 3.33Å; G103-L105 PolarHBondContact O-N 3.27Å; L105-E107 VanDerWaalsContact C-N 3.25Å; L105-E107 HydrophobicContact CB-CG 3.7Å; L105-E107 PolarHBondContact O-N 2.99Å; L105-K123 HydrophobicContact CD2-CB 3.79Å; L105-R125 HydrophobicContact CD1-CB 4Å; L105-R125 HydrophobicContact CD1-CG 4.48Å |
| 106 | A | 94.6 | Very high | 94.1 | Very high | 63 Ų | 63 | 88 Ų | 88 | 52% | 0.521 | 50% | 0.502 | S | S | . | . | trans | 54.4 | 30.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K102 G103 T108 G109 | K102-A106 PolarHBondContact O-N 3.35Å; G103-A106 PolarHBondContact O-N 2.81Å; A106-T108 VanDerWaalsContact C-N 3.3Å; A106-T108 PolarHBondContact O-N 3.03Å; A106-G109 PolarHBondContact O-N 3.11Å | ||
| 107 | E | 93.2 | Very high | 93.9 | Very high | 105 Ų | 105 | 86.7 Ų | 86.7 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -26.9 | -167.9 | -49.7 | -152.3 | 113.1 | 0 | 0 | 114.4 | L105 A112 K122 | L105-E107 VanDerWaalsContact C-N 3.25Å; L105-E107 HydrophobicContact CB-CG 3.7Å; L105-E107 PolarHBondContact O-N 2.99Å; E107-A112 WeakPolarHBondContact O-CB 3.41Å; E107-K122 WeakPolarHBondContact OE1-CE 3.48Å; E107-K122 IonicContact OE1-NZ 2.66Å; E107-K122 PolarHBondContact OE1-NZ 2.91Å |
| 108 | T | 92.2 | Very high | 93.9 | Very high | 118 Ų | 118 | 93.6 Ų | 93.6 | 72% | 0.724 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -5.1 | -178.7 | 51.5 | 0 | 0 | 0 | 0 | 114.1 | A106 | A106-T108 VanDerWaalsContact C-N 3.3Å; A106-T108 PolarHBondContact O-N 3.03Å |
| 109 | G | 91.2 | Very high | 93.8 | Very high | 31 Ų | 31 | 99.1 Ų | 99.1 | 32% | 0.32 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -66.6 | 159.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115 | A106 G111 A112 | A106-G109 PolarHBondContact O-N 3.11Å; G109-G111 PolarHBondContact O-N 3.02Å; G109-G111 VanDerWaalsContact O-N 3.07Å; G109-A112 WeakPolarHBondContact O-CB 3.4Å; G109-A112 PolarHBondContact O-N 3.08Å |
| 110 | A | 92.2 | Very high | 93.8 | Very high | 68 Ų | 68 | 101.3 Ų | 101.3 | 56% | 0.562 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -56.1 | -29.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | A112 R113 | A110-A112 VanDerWaalsContact C-N 3.31Å; A110-A112 PolarHBondContact O-N 2.9Å; A110-R113 PolarHBondContact O-N 3.5Å |
| 111 | G | 91.4 | Very high | 93.7 | Very high | 34 Ų | 34 | 106.1 Ų | 106.1 | 35% | 0.351 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.4 | -30 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | G109 R116 | G109-G111 PolarHBondContact O-N 3.02Å; G109-G111 VanDerWaalsContact O-N 3.07Å; G111-R116 PolarHBondContact O-N 2.72Å |
| 112 | A | 92 | Very high | 93.6 | Very high | 62 Ų | 62 | 110 Ų | 110 | 51% | 0.512 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -72.1 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E107 G109 A110 K114 G115 | E107-A112 WeakPolarHBondContact O-CB 3.41Å; G109-A112 WeakPolarHBondContact O-CB 3.4Å; G109-A112 PolarHBondContact O-N 3.08Å; A110-A112 VanDerWaalsContact C-N 3.31Å; A110-A112 PolarHBondContact O-N 2.9Å; A112-K114 VanDerWaalsContact C-N 3.35Å; A112-K114 PolarHBondContact O-N 3.27Å; A112-G115 PolarHBondContact O-N 2.9Å |
| 113 | R | 91.6 | Very high | 93.6 | Very high | 207 Ų | 207 | 108.8 Ų | 108.8 | 78% | 0.781 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -54.6 | -42.5 | -172.1 | -61.9 | -175.3 | -177.7 | -172.2 | -1.4 | 114 | A110 | A110-R113 PolarHBondContact O-N 3.5Å |
| 114 | K | 92.2 | Very high | 93.5 | Very high | 136 Ų | 136 | 113.2 Ų | 113.2 | 59% | 0.591 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | 24.1 | -177.9 | -63.6 | -170 | 176.6 | -171.5 | 0 | 113.5 | A112 R116 E237 | A112-K114 VanDerWaalsContact C-N 3.35Å; A112-K114 PolarHBondContact O-N 3.27Å; K114-R116 VanDerWaalsContact C-N 3.3Å; K114-R116 PolarHBondContact O-N 2.72Å; K114-E237 WeakPolarHBondContact CE-O 3.48Å; K114-E237 PolarHBondContact NZ-O 3.11Å; K114-E237 VanDerWaalsContact NZ-O 3.16Å |
| 115 | G | 91 | Very high | 93.5 | Very high | 62 Ų | 62 | 117 Ų | 117 | 64% | 0.639 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.1 | 20.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | A112 G117 | A112-G115 PolarHBondContact O-N 2.9Å; G115-G117 VanDerWaalsContact C-N 3.3Å; G115-G117 PolarHBondContact O-N 3.16Å |
| 116 | R | 93.7 | Very high | 93.5 | Very high | 191 Ų | 191 | 117.8 Ų | 117.8 | 72% | 0.721 | 60% | 0.6 | S | S | * | * | trans | -70.6 | -23.1 | -175.9 | -61.9 | 175.3 | 170.7 | 174 | -6.5 | 113 | G111 K114 | G111-R116 PolarHBondContact O-N 2.72Å; K114-R116 VanDerWaalsContact C-N 3.3Å; K114-R116 PolarHBondContact O-N 2.72Å | ||
| 117 | G | 92.2 | Very high | 93.5 | Very high | 49 Ų | 49 | 119 Ų | 119 | 51% | 0.505 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -84.2 | 122.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G115 | G115-G117 VanDerWaalsContact C-N 3.3Å; G115-G117 PolarHBondContact O-N 3.16Å |
| 118 | K | 95.5 | Very high | 93.5 | Very high | 194 Ų | 194 | 118.3 Ų | 118.3 | 84% | 0.843 | 60% | 0.598 | S | S | * | * | trans | -62.4 | 134.4 | 169 | -64.3 | -179.8 | -177.5 | 177.3 | 0 | 110 | ||||
| 119 | R | 94.5 | Very high | 93.6 | Very high | 231 Ų | 231 | 118.1 Ų | 118.1 | 87% | 0.872 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -91.5 | 0.9 | -174.1 | -65.4 | -174.8 | 176.6 | -157.3 | -4.9 | 115.2 | ||
| 120 | T | 95.6 | Very high | 93.7 | Very high | 131 Ų | 131 | 124 Ų | 124 | 80% | 0.804 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -44.8 | -171.6 | 46.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 121 | K | 94.8 | Very high | 93.7 | Very high | 202 Ų | 202 | 123.3 Ų | 123.3 | 88% | 0.878 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | 51.6 | 177.6 | -65.2 | -172.4 | 177.8 | -176.9 | 0 | 111.6 | K123 | K121-K123 PolarHBondContact O-N 2.95Š|
| 122 | K | 94.5 | Very high | 93.8 | Very high | 137 Ų | 137 | 128.4 Ų | 128.4 | 60% | 0.596 | 62% | 0.619 | S | S | * | * | trans | -65.7 | 125.5 | 177.3 | -164.2 | -153.3 | 169.9 | -175.5 | 0 | 110.6 | E107 | E107-K122 WeakPolarHBondContact OE1-CE 3.48Å; E107-K122 IonicContact OE1-NZ 2.66Å; E107-K122 PolarHBondContact OE1-NZ 2.91Å | ||
| 123 | K | 95.7 | Very high | 93.9 | Very high | 136 Ų | 136 | 131 Ų | 131 | 59% | 0.591 | 62% | 0.623 | S | S | * | * | trans | -56.7 | 150.5 | 167.6 | -61.9 | -179.6 | -177.2 | -177 | 0 | 111 | A104 L105 K121 | A104-K123 WeakPolarHBondContact O-CD 3.37Å; A104-K123 WeakPolarHBondContact O-CE 3.5Å; A104-K123 PolarHBondContact O-NZ 3.5Å; L105-K123 HydrophobicContact CD2-CB 3.79Å; K121-K123 PolarHBondContact O-N 2.95Å | ||
| 124 | K | 94.2 | Very high | 94.1 | Very high | 149 Ų | 149 | 127.5 Ų | 127.5 | 65% | 0.648 | 62% | 0.618 | S | S | * | * | trans | -128.7 | 138.3 | 176.2 | -62.9 | -179.6 | -176.1 | 178.6 | 0 | 109 | ||||
| 125 | R | 95.6 | Very high | 94.1 | Very high | 119 Ų | 119 | 122.3 Ų | 122.3 | 45% | 0.449 | 60% | 0.603 | S | S | . | * | trans | -56.9 | 137.1 | 169.4 | -164 | 170.1 | 173.3 | 165 | -1.3 | 108.9 | E98 W101 L105 R185 | E98-R125 IonicContact OE1-CZ 2.87Å; E98-R125 VanDerWaalsContact OE1-CZ 3.26Å; E98-R125 IonicContact OE1-NH1 2.69Å; E98-R125 PolarHBondContact OE1-NH1 3.06Å; E98-R125 IonicContact OE1-NH2 2.65Å; E98-R125 PolarHBondContact OE1-NH2 2.87Å; W101-R125 HydrophobicContact CB-CG 4.38Å; W101-R125 HydrophobicContact CD2-CG 3.84Å; W101-R125 HydrophobicContact CE3-CB 4.42Å; W101-R125 HydrophobicContact CE3-CG 4.21Å; W101-R125 HydrophobicContact CG-CG 3.89Å; L105-R125 HydrophobicContact CD1-CB 4Å; L105-R125 HydrophobicContact CD1-CG 4.48Å; R125-R185 PolarHBondContact O-NH1 2.96Å; R125-R185 VanDerWaalsContact O-NH1 3.15Å; R125-R185 PolarHBondContact O-NH2 3.21Å | ||
| 126 | K | 94.6 | Very high | 94.3 | Very high | 48 Ų | 48 | 121.9 Ų | 121.9 | 21% | 0.209 | 59% | 0.585 | C | S | . | * | trans | -122.3 | 123.9 | 164.6 | 179.8 | 164.8 | -178.8 | 167.6 | 0 | 106.4 | W101 D182 | W101-K126 HydrophobicContact CH2-CB 4.19Å; W101-K126 HydrophobicContact CZ2-CB 4.1Å; W101-K126 WeakPolarHBondContact CZ2-O 3.41Å; W101-K126 PolarHBondContact NE1-O 2.87Å; K126-D182 IonicContact NZ-OD1 3.83Å; K126-D182 PolarHBondContact NZ-OD1 3.45Å; K126-D182 IonicContact NZ-OD2 3.85Å; K126-D182 PolarHBondContact NZ-OD2 2.59Å | ||
| 127 | D | 94.9 | Very high | 94.3 | Very high | 89 Ų | 89 | 114.7 Ų | 114.7 | 48% | 0.476 | 57% | 0.57 | S | S | . | * | trans | -68.1 | 139.4 | 169.5 | -175.9 | 17.2 | 0 | 0 | 0 | 108.8 | N129 R130 | D127-N129 PolarHBondContact OD1-N 3.35Å; D127-R130 HydrophobicContact CB-CB 4.38Å; D127-R130 WeakPolarHBondContact OD2-CB 3.42Å; D127-R130 PolarHBondContact OD2-N 3.44Å | ||
| 128 | L | 94.6 | Very high | 94.3 | Very high | 91 Ų | 91 | 123 Ų | 123 | 48% | 0.476 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -108 | -19.7 | 179.2 | -60.8 | -179 | 0 | 0 | 0 | 111.7 | Q132 | L128-Q132 PolarHBondContact O-NE2 3.33Š|
| 129 | N | 94.6 | Very high | 94.2 | Very high | 113 Ų | 113 | 117.2 Ų | 117.2 | 60% | 0.604 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -77.5 | -29.8 | 179 | -62.5 | 15.2 | 0 | 0 | 0 | 110.6 | D127 G131 Q132 | D127-N129 PolarHBondContact OD1-N 3.35Å; N129-G131 PolarHBondContact O-N 2.74Å; N129-Q132 PolarHBondContact O-N 2.98Å; N129-Q132 VanDerWaalsContact O-N 3.12Å |
| 130 | R | 92.9 | Very high | 94.2 | Very high | 155 Ų | 155 | 106.3 Ų | 106.3 | 59% | 0.585 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 120.9 | 172.6 | -172.7 | -178 | -160.1 | 160.7 | 18 | 112 | D127 | D127-R130 HydrophobicContact CB-CB 4.38Å; D127-R130 WeakPolarHBondContact OD2-CB 3.42Å; D127-R130 PolarHBondContact OD2-N 3.44Å |
| 131 | G | 91.7 | Very high | 94.2 | Very high | 54 Ų | 54 | 103.7 Ų | 103.7 | 56% | 0.557 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89 | 10.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | N129 | N129-G131 PolarHBondContact O-N 2.74Š|
| 132 | Q | 93.4 | Very high | 94.2 | Very high | 140 Ų | 140 | 96.1 Ų | 96.1 | 65% | 0.654 | 48% | 0.476 | S | S | * | . | trans | -96.9 | 146 | 164.8 | -57.4 | -172.4 | 34.3 | 0 | 0 | 109.7 | L128 N129 | L128-Q132 PolarHBondContact O-NE2 3.33Å; N129-Q132 PolarHBondContact O-N 2.98Å; N129-Q132 VanDerWaalsContact O-N 3.12Å | ||
| 133 | I | 94 | Very high | 94.2 | Very high | 116 Ų | 116 | 93.9 Ų | 93.9 | 60% | 0.595 | 46% | 0.464 | S | S | * | . | trans | -115.8 | 142.4 | 176.5 | -60.2 | 172 | 0 | 0 | 0 | 107.6 | G135 E136 | I133-G135 PolarHBondContact O-N 3.09Å; I133-E136 HydrophobicContact CB-CB 4.45Å; I133-E136 HydrophobicContact CB-CG 3.8Å; I133-E136 HydrophobicContact CG2-CG 4.23Å; I133-E136 WeakPolarHBondContact O-CB 3.5Å; I133-E136 PolarHBondContact O-N 2.89Å | ||
| 134 | I | 95.3 | Very high | 94.1 | Very high | 135 Ų | 135 | 89 Ų | 89 | 69% | 0.692 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 132.5 | 179.9 | -58.6 | 177.3 | 0 | 0 | 0 | 109.2 | E136 L146 | I134-E136 VanDerWaalsContact C-N 3.35Å; I134-L146 HydrophobicContact CG2-CD2 4.32Å |
| 135 | G | 93.3 | Very high | 94 | Very high | 26 Ų | 26 | 84.5 Ų | 84.5 | 27% | 0.268 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -14.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I133 | I133-G135 PolarHBondContact O-N 3.09Š|
| 136 | E | 94.4 | Very high | 93.9 | Very high | 54 Ų | 54 | 84.1 Ų | 84.1 | 25% | 0.252 | 45% | 0.448 | S | S | . | . | trans | -74.7 | 141.8 | 174.6 | -73.6 | -58.5 | 136 | 0 | 0 | 112.8 | I133 I134 N147 R162 | I133-E136 HydrophobicContact CB-CB 4.45Å; I133-E136 HydrophobicContact CB-CG 3.8Å; I133-E136 HydrophobicContact CG2-CG 4.23Å; I133-E136 WeakPolarHBondContact O-CB 3.5Å; I133-E136 PolarHBondContact O-N 2.89Å; I134-E136 VanDerWaalsContact C-N 3.35Å; E136-N147 WeakPolarHBondContact OE1-CB 3.4Å; E136-N147 PolarHBondContact OE1-ND2 3.26Å; E136-R162 VanDerWaalsContact CD-NH2 3.3Å; E136-R162 IonicContact OE1-CZ 3.68Å; E136-R162 IonicContact OE1-NH1 3.76Å; E136-R162 IonicContact OE1-NH2 2.72Å; E136-R162 PolarHBondContact OE1-NH2 3.49Å; E136-R162 IonicContact OE2-CZ 3.39Å; E136-R162 IonicContact OE2-NH1 2.72Å; E136-R162 PolarHBondContact OE2-NH1 3.25Å; E136-R162 IonicContact OE2-NH2 3.16Å; E136-R162 PolarHBondContact OE2-NH2 3.21Å; E136-R162 VanDerWaalsContact OE2-NH2 3.16Å | ||
| 137 | G | 93.2 | Very high | 93.8 | Very high | 40 Ų | 40 | 83.2 Ų | 83.2 | 41% | 0.412 | 45% | 0.445 | S | S | . | . | trans | -169.8 | 164.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S139 G140 Q167 | G137-S139 PolarHBondContact O-N 2.87Å; G137-S139 VanDerWaalsContact O-N 3.09Å; G137-G140 PolarHBondContact O-N 3.47Å; G137-Q167 PolarHBondContact O-NE2 3.35Å | ||
| 138 | R | 93.2 | Very high | 93.8 | Very high | 223 Ų | 223 | 80.2 Ų | 80.2 | 84% | 0.842 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -27.8 | -174.5 | -68 | -178.7 | 177.8 | 179.9 | -3.1 | 114.6 | G140 | R138-G140 PolarHBondContact O-N 3.36Š|
| 139 | S | 93.4 | Very high | 93.7 | Very high | 73 Ų | 73 | 80.2 Ų | 80.2 | 51% | 0.51 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -11.1 | 179 | -46.7 | 0 | 0 | 0 | 0 | 113.5 | G137 F141 Q161 | G137-S139 PolarHBondContact O-N 2.87Å; G137-S139 VanDerWaalsContact O-N 3.09Å; S139-F141 VanDerWaalsContact C-N 3.34Å; S139-F141 PolarHBondContact O-N 3.23Å; S139-Q161 WeakPolarHBondContact O-CG 3.03Å; S139-Q161 PolarHBondContact O-NE2 3.12Å |
| 140 | G | 93.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 79.5 Ų | 79.5 | 1% | 0.01 | 43% | 0.431 | C | S | . | . | trans | 68.6 | 24.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | G137 R138 Q161 R162 Q167 | G137-G140 PolarHBondContact O-N 3.47Å; R138-G140 PolarHBondContact O-N 3.36Å; G140-Q161 WeakPolarHBondContact O-CA 3.36Å; G140-R162 PolarHBondContact O-N 2.75Å; G140-Q167 VanDerWaalsContact CA-OE1 3.23Å | ||
| 141 | F | 96.2 | Very high | 93.7 | Very high | 76 Ų | 76 | 76.7 Ų | 76.7 | 33% | 0.333 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 145.3 | 176.3 | -78.8 | -72.3 | 0 | 0 | 0 | 112.5 | S139 W143 N147 I159 G160 Q161 | S139-F141 VanDerWaalsContact C-N 3.34Å; S139-F141 PolarHBondContact O-N 3.23Å; F141-W143 HydrophobicContact CB-CD2 4.35Å; F141-W143 VanDerWaalsContact CB-CE2 3.5Å; F141-W143 HydrophobicContact CB-CH2 4.43Å; F141-W143 HydrophobicContact CB-CZ2 3.55Å; F141-W143 HydrophobicContact CD1-CH2 4.4Å; F141-W143 HydrophobicContact CD1-CZ2 4.25Å; F141-W143 HydrophobicContact CD2-CZ2 4Å; F141-W143 HydrophobicContact CG-CH2 4.27Å; F141-W143 AromaticContact CG-CZ2 3.69Å; F141-W143 HydrophobicContact CG-CZ2 3.69Å; F141-N147 PolarHBondContact O-ND2 3.11Å; F141-I159 HydrophobicContact CD1-CG2 4.31Å; F141-G160 WeakPolarHBondContact CA-O 3.3Å; F141-G160 WeakPolarHBondContact CD1-O 3.4Å; F141-Q161 HydrophobicContact CD1-CB 4.31Å; F141-Q161 HydrophobicContact CD1-CG 4.39Å; F141-Q161 HydrophobicContact CE1-CB 4.46Å; F141-Q161 HydrophobicContact CE1-CG 4.49Å |
| 142 | L | 94.7 | Very high | 93.7 | Very high | 43 Ų | 43 | 80.5 Ų | 80.5 | 23% | 0.225 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 111.2 | 177.2 | -55.5 | -179.9 | 0 | 0 | 0 | 108 | V148 G160 R162 | L142-V148 HydrophobicContact CB-CG1 4Å; L142-V148 HydrophobicContact CB-CG2 4.2Å; L142-V148 HydrophobicContact CD2-CG1 3.87Å; L142-V148 HydrophobicContact CG-CG1 4.35Å; L142-G160 PolarHBondContact N-O 2.87Å; L142-G160 PolarHBondContact O-N 3.18Å; L142-R162 HydrophobicContact CD1-CG 4.49Å; L142-R162 HydrophobicContact CD2-CG 3.99Å; L142-R162 HydrophobicContact CG-CG 4.38Å |
| 143 | W | 95.4 | Very high | 93.5 | Very high | 91 Ų | 91 | 79.7 Ų | 79.7 | 35% | 0.345 | 44% | 0.438 | S | S | . | . | trans | -107.4 | 108.6 | -174.4 | -56.4 | 107.1 | 0 | 0 | 0 | 109.6 | F141 G145 L146 N147 V148 I159 | F141-W143 HydrophobicContact CB-CD2 4.35Å; F141-W143 VanDerWaalsContact CB-CE2 3.5Å; F141-W143 HydrophobicContact CB-CH2 4.43Å; F141-W143 HydrophobicContact CB-CZ2 3.55Å; F141-W143 HydrophobicContact CD1-CH2 4.4Å; F141-W143 HydrophobicContact CD1-CZ2 4.25Å; F141-W143 HydrophobicContact CD2-CZ2 4Å; F141-W143 HydrophobicContact CG-CH2 4.27Å; F141-W143 AromaticContact CG-CZ2 3.69Å; F141-W143 HydrophobicContact CG-CZ2 3.69Å; W143-G145 PolarHBondContact O-N 2.84Å; W143-L146 HydrophobicContact CB-CB 4.03Å; W143-L146 HydrophobicContact CB-CD1 4.15Å; W143-L146 HydrophobicContact CB-CG 4.47Å; W143-L146 PolarHBondContact O-N 2.99Å; W143-N147 PolarHBondContact N-OD1 3.47Å; W143-N147 PolarHBondContact O-N 3.44Å; W143-N147 PolarHBondContact O-OD1 2.78Å; W143-V148 PolarHBondContact O-N 3.35Å; W143-I159 HydrophobicContact CE3-CD1 4.46Å; W143-I159 HydrophobicContact CE3-CG1 4.22Å; W143-I159 HydrophobicContact CE3-CG2 4.01Å; W143-I159 HydrophobicContact CH2-CG2 4.4Å; W143-I159 HydrophobicContact CZ3-CD1 4.05Å; W143-I159 HydrophobicContact CZ3-CG1 4.23Å; W143-I159 HydrophobicContact CZ3-CG2 3.77Å | ||
| 144 | P | 93.5 | Very high | 93.3 | Very high | 34 Ų | 34 | 77.6 Ų | 77.6 | 22% | 0.221 | 45% | 0.445 | C | S | . | . | B | Isolated β-bridge | trans | -54.5 | 121.8 | 176.7 | -24.1 | 32.9 | 0 | 0 | 0 | 111.5 | L150 Q157 | P144-L150 HydrophobicContact CB-CD1 3.9Å; P144-Q157 HydrophobicContact CB-CB 4.44Å; P144-Q157 HydrophobicContact CG-CB 4.14Å; P144-Q157 WeakPolarHBondContact CG-O 3.5Å |
| 145 | G | 92.1 | Very high | 93.1 | Very high | 54 Ų | 54 | 76 Ų | 76 | 56% | 0.557 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | -3.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | W143 V148 | W143-G145 PolarHBondContact O-N 2.84Å; G145-V148 PolarHBondContact N-O 2.77Å |
| 146 | L | 93.5 | Very high | 93 | Very high | 110 Ų | 110 | 79 Ų | 79 | 58% | 0.576 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | -65.6 | 173.5 | -65.9 | 176.4 | 0 | 0 | 0 | 112.7 | I134 W143 | I134-L146 HydrophobicContact CG2-CD2 4.32Å; W143-L146 HydrophobicContact CB-CB 4.03Å; W143-L146 HydrophobicContact CB-CD1 4.15Å; W143-L146 HydrophobicContact CB-CG 4.47Å; W143-L146 PolarHBondContact O-N 2.99Å |
| 147 | N | 92.7 | Very high | 92.8 | Very high | 30 Ų | 30 | 78.7 Ų | 78.7 | 16% | 0.16 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -14.4 | 178.6 | 68.4 | -23.3 | 0 | 0 | 0 | 113.9 | E136 F141 W143 | E136-N147 WeakPolarHBondContact OE1-CB 3.4Å; E136-N147 PolarHBondContact OE1-ND2 3.26Å; F141-N147 PolarHBondContact O-ND2 3.11Å; W143-N147 PolarHBondContact N-OD1 3.47Å; W143-N147 PolarHBondContact O-N 3.44Å; W143-N147 PolarHBondContact O-OD1 2.78Å |
| 148 | V | 93.2 | Very high | 92.7 | Very high | 26 Ų | 26 | 83.6 Ų | 83.6 | 16% | 0.158 | 47% | 0.469 | C | S | . | . | B | Isolated β-bridge | trans | -124.6 | 150.4 | 169.7 | -60.8 | 0 | 0 | 0 | 0 | 111.1 | L142 W143 G145 | L142-V148 HydrophobicContact CB-CG1 4Å; L142-V148 HydrophobicContact CB-CG2 4.2Å; L142-V148 HydrophobicContact CD2-CG1 3.87Å; L142-V148 HydrophobicContact CG-CG1 4.35Å; W143-V148 PolarHBondContact O-N 3.35Å; G145-V148 PolarHBondContact N-O 2.77Å |
| 149 | P | 94.2 | Very high | 92.8 | Very high | 91 Ų | 91 | 78.4 Ų | 78.4 | 59% | 0.591 | 46% | 0.457 | S | S | * | . | trans | -55.7 | 146.4 | 177.2 | -26.2 | 35.3 | 0 | 0 | 0 | 112.5 | I151 Q157 | P149-I151 VanDerWaalsContact C-N 3.31Å; P149-I151 PolarHBondContact O-N 2.87Å; P149-Q157 PolarHBondContact O-NE2 3.18Å | ||
| 150 | L | 93.2 | Very high | 92.7 | Very high | 97 Ų | 97 | 76.2 Ų | 76.2 | 51% | 0.508 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -64.5 | -35.9 | 179.9 | -176.6 | 62 | 0 | 0 | 0 | 112.5 | P144 V156 Q157 | P144-L150 HydrophobicContact CB-CD1 3.9Å; L150-V156 HydrophobicContact CD1-CG1 4.22Å; L150-V156 WeakPolarHBondContact O-CA 3.25Å; L150-Q157 PolarHBondContact O-N 2.75Å |
| 151 | I | 93.2 | Very high | 92.8 | Very high | 96 Ų | 96 | 82 Ų | 82 | 49% | 0.492 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 139.4 | -177.6 | -59.3 | 175 | 0 | 0 | 0 | 109.1 | P149 V155 V156 | P149-I151 VanDerWaalsContact C-N 3.31Å; P149-I151 PolarHBondContact O-N 2.87Å; I151-V155 CarbonylContact C-O 3.59Å; I151-V155 WeakPolarHBondContact CA-O 3.45Å; I151-V156 HydrophobicContact CG1-CG2 4.33Å |
| 152 | K | 91.4 | Very high | 92.7 | Very high | 135 Ų | 135 | 80.6 Ų | 80.6 | 59% | 0.587 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 127.7 | 173.7 | -172.4 | 177.9 | 178.9 | -174.2 | 0 | 108.9 | G154 V155 Q157 | K152-G154 PolarHBondContact O-N 3.48Å; K152-V155 PolarHBondContact N-O 3.03Å; K152-V155 PolarHBondContact O-N 3.36Å; K152-Q157 HydrophobicContact CB-CG 3.71Å; K152-Q157 VanDerWaalsContact CD-OE1 3.24Å |
| 153 | S | 89.8 | Confident | 92.7 | Very high | 122 Ų | 122 | 81.3 Ų | 81.3 | 85% | 0.853 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 38.2 | -176.3 | -52.9 | 0 | 0 | 0 | 0 | 114.2 | V155 | S153-V155 VanDerWaalsContact C-N 3.27Å; S153-V155 PolarHBondContact O-N 3.22Å |
| 154 | G | 89.8 | Confident | 92.7 | Very high | 72 Ų | 72 | 85 Ų | 85 | 74% | 0.742 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | -11 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | K152 | K152-G154 PolarHBondContact O-N 3.48Š|
| 155 | V | 90.5 | Very high | 92.8 | Very high | 102 Ų | 102 | 89 Ų | 89 | 62% | 0.618 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 141 | -178.6 | -172.4 | 0 | 0 | 0 | 0 | 110.4 | I151 K152 S153 Q157 | I151-V155 CarbonylContact C-O 3.59Å; I151-V155 WeakPolarHBondContact CA-O 3.45Å; K152-V155 PolarHBondContact N-O 3.03Å; K152-V155 PolarHBondContact O-N 3.36Å; S153-V155 VanDerWaalsContact C-N 3.27Å; S153-V155 PolarHBondContact O-N 3.22Å; V155-Q157 PolarHBondContact O-N 3.41Å |
| 156 | V | 91.1 | Very high | 92.9 | Very high | 88 Ų | 88 | 91.2 Ų | 91.2 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 130.4 | 172.3 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | L150 I151 | L150-V156 HydrophobicContact CD1-CG1 4.22Å; L150-V156 WeakPolarHBondContact O-CA 3.25Å; I151-V156 HydrophobicContact CG1-CG2 4.33Å |
| 157 | Q | 89.9 | Confident | 93 | Very high | 48 Ų | 48 | 86.7 Ų | 86.7 | 22% | 0.224 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -75 | 140.9 | 177.5 | -66 | -164.5 | 102.9 | 0 | 0 | 110.8 | P144 P149 L150 K152 V155 | P144-Q157 HydrophobicContact CB-CB 4.44Å; P144-Q157 HydrophobicContact CG-CB 4.14Å; P144-Q157 WeakPolarHBondContact CG-O 3.5Å; P149-Q157 PolarHBondContact O-NE2 3.18Å; L150-Q157 PolarHBondContact O-N 2.75Å; K152-Q157 HydrophobicContact CB-CG 3.71Å; K152-Q157 VanDerWaalsContact CD-OE1 3.24Å; V155-Q157 PolarHBondContact O-N 3.41Å |
| 158 | N | 91.8 | Very high | 93.1 | Very high | 143 Ų | 143 | 90.8 Ų | 90.8 | 77% | 0.765 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -84.3 | 168.2 | 169.3 | -72.8 | -27.6 | 0 | 0 | 0 | 111 | G160 | N158-G160 PolarHBondContact O-N 2.69Š|
| 159 | I | 94.8 | Very high | 93.2 | Very high | 114 Ų | 114 | 95.3 Ų | 95.3 | 59% | 0.585 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 123.3 | 170.9 | -59.4 | 164 | 0 | 0 | 0 | 108.6 | F141 W143 | F141-I159 HydrophobicContact CD1-CG2 4.31Å; W143-I159 HydrophobicContact CE3-CD1 4.46Å; W143-I159 HydrophobicContact CE3-CG1 4.22Å; W143-I159 HydrophobicContact CE3-CG2 4.01Å; W143-I159 HydrophobicContact CH2-CG2 4.4Å; W143-I159 HydrophobicContact CZ3-CD1 4.05Å; W143-I159 HydrophobicContact CZ3-CG1 4.23Å; W143-I159 HydrophobicContact CZ3-CG2 3.77Å |
| 160 | G | 92.1 | Very high | 93.2 | Very high | 27 Ų | 27 | 92.9 Ų | 92.9 | 28% | 0.278 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 174.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F141 L142 N158 | F141-G160 WeakPolarHBondContact CA-O 3.3Å; F141-G160 WeakPolarHBondContact CD1-O 3.4Å; L142-G160 PolarHBondContact N-O 2.87Å; L142-G160 PolarHBondContact O-N 3.18Å; N158-G160 PolarHBondContact O-N 2.69Å |
| 161 | Q | 94.9 | Very high | 93.2 | Very high | 124 Ų | 124 | 91.7 Ų | 91.7 | 58% | 0.579 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 138 | 169.9 | -165.8 | 179.6 | 7.1 | 0 | 0 | 109.2 | S139 G140 F141 | S139-Q161 WeakPolarHBondContact O-CG 3.03Å; S139-Q161 PolarHBondContact O-NE2 3.12Å; G140-Q161 WeakPolarHBondContact O-CA 3.36Å; F141-Q161 HydrophobicContact CD1-CB 4.31Å; F141-Q161 HydrophobicContact CD1-CG 4.39Å; F141-Q161 HydrophobicContact CE1-CB 4.46Å; F141-Q161 HydrophobicContact CE1-CG 4.49Å |
| 162 | R | 94.9 | Very high | 93.4 | Very high | 46 Ų | 46 | 89.4 Ų | 89.4 | 17% | 0.174 | 49% | 0.486 | C | S | . | . | trans | -65.9 | 151.7 | 174.2 | -68.7 | -177.1 | -170.8 | 120.2 | 9.3 | 111.4 | E136 G140 L142 E166 Q167 | E136-R162 VanDerWaalsContact CD-NH2 3.3Å; E136-R162 IonicContact OE1-CZ 3.68Å; E136-R162 IonicContact OE1-NH1 3.76Å; E136-R162 IonicContact OE1-NH2 2.72Å; E136-R162 PolarHBondContact OE1-NH2 3.49Å; E136-R162 IonicContact OE2-CZ 3.39Å; E136-R162 IonicContact OE2-NH1 2.72Å; E136-R162 PolarHBondContact OE2-NH1 3.25Å; E136-R162 IonicContact OE2-NH2 3.16Å; E136-R162 PolarHBondContact OE2-NH2 3.21Å; E136-R162 VanDerWaalsContact OE2-NH2 3.16Å; G140-R162 PolarHBondContact O-N 2.75Å; L142-R162 HydrophobicContact CD1-CG 4.49Å; L142-R162 HydrophobicContact CD2-CG 3.99Å; L142-R162 HydrophobicContact CG-CG 4.38Å; R162-E166 HydrophobicContact CB-CB 4.1Å; R162-E166 HydrophobicContact CG-CB 4.45Å; R162-Q167 HydrophobicContact CB-CB 4.4Å | ||
| 163 | S | 95.7 | Very high | 93.6 | Very high | 57 Ų | 57 | 86 Ų | 86 | 40% | 0.399 | 48% | 0.476 | S | S | . | . | trans | -61.7 | 156.8 | 163.2 | 67 | 0 | 0 | 0 | 0 | 111.2 | E165 E166 Q167 | S163-E165 PolarHBondContact O-N 2.65Å; S163-E166 VanDerWaalsContact CB-OE2 3.31Å; S163-E166 WeakPolarHBondContact CB-OE2 3.49Å; S163-E166 PolarHBondContact N-OE2 3.18Å; S163-E166 PolarHBondContact O-N 3.3Å; S163-E166 WeakPolarHBondContact OG-CB 3.49Å; S163-E166 VanDerWaalsContact OG-CD 3.24Å; S163-E166 WeakPolarHBondContact OG-CG 3.45Å; S163-E166 PolarHBondContact OG-N 2.9Å; S163-E166 PolarHBondContact OG-OE2 2.77Å; S163-Q167 PolarHBondContact O-N 2.77Å | ||
| 164 | K | 95.3 | Very high | 93.7 | Very high | 168 Ų | 168 | 83.9 Ų | 83.9 | 73% | 0.73 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -55.7 | -37.4 | 177 | -174.4 | 179.1 | 178.5 | -176.3 | 0 | 112.2 | Q168 | K164-Q168 WeakPolarHBondContact O-CB 3.38Å; K164-Q168 VanDerWaalsContact O-CG 3.28Å; K164-Q168 WeakPolarHBondContact O-CG 3.23Å; K164-Q168 PolarHBondContact O-N 2.9Å |
| 165 | E | 95.4 | Very high | 93.9 | Very high | 120 Ų | 120 | 84.2 Ų | 84.2 | 56% | 0.561 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -71.1 | -43.9 | 178.1 | -64.7 | -175.1 | -157 | 0 | 0 | 113.2 | S163 Q167 Q168 K169 | S163-E165 PolarHBondContact O-N 2.65Å; E165-Q167 VanDerWaalsContact C-N 3.33Å; E165-Q168 PolarHBondContact O-N 3.35Å; E165-K169 WeakPolarHBondContact O-CD 3.35Å; E165-K169 VanDerWaalsContact O-CG 3.24Å; E165-K169 WeakPolarHBondContact O-CG 3.43Å; E165-K169 PolarHBondContact O-N 3.1Å; E165-K169 IonicContact OE2-NZ 3.04Å; E165-K169 PolarHBondContact OE2-NZ 3.22Å |
| 166 | E | 94.5 | Very high | 94.2 | Very high | 99 Ų | 99 | 85.3 Ų | 85.3 | 46% | 0.463 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 176.2 | -72.9 | 165.1 | 130 | 0 | 0 | 110.9 | R162 S163 Q168 K169 V170 | R162-E166 HydrophobicContact CB-CB 4.1Å; R162-E166 HydrophobicContact CG-CB 4.45Å; S163-E166 VanDerWaalsContact CB-OE2 3.31Å; S163-E166 WeakPolarHBondContact CB-OE2 3.49Å; S163-E166 PolarHBondContact N-OE2 3.18Å; S163-E166 PolarHBondContact O-N 3.3Å; S163-E166 WeakPolarHBondContact OG-CB 3.49Å; S163-E166 VanDerWaalsContact OG-CD 3.24Å; S163-E166 WeakPolarHBondContact OG-CG 3.45Å; S163-E166 PolarHBondContact OG-N 2.9Å; S163-E166 PolarHBondContact OG-OE2 2.77Å; E166-Q168 VanDerWaalsContact C-N 3.32Å; E166-Q168 PolarHBondContact O-N 3.44Å; E166-K169 PolarHBondContact O-N 3.2Å; E166-V170 WeakPolarHBondContact O-CG2 3.44Å; E166-V170 PolarHBondContact O-N 2.66Å |
| 167 | Q | 94.3 | Very high | 94.3 | Very high | 16 Ų | 16 | 86.2 Ų | 86.2 | 8% | 0.075 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 176 | -177 | 58.8 | 22.5 | 0 | 0 | 111.6 | G137 G140 R162 S163 E165 V170 E171 | G137-Q167 PolarHBondContact O-NE2 3.35Å; G140-Q167 VanDerWaalsContact CA-OE1 3.23Å; R162-Q167 HydrophobicContact CB-CB 4.4Å; S163-Q167 PolarHBondContact O-N 2.77Å; E165-Q167 VanDerWaalsContact C-N 3.33Å; Q167-V170 PolarHBondContact O-N 3.37Å; Q167-E171 PolarHBondContact NE2-OE1 2.93Å; Q167-E171 WeakPolarHBondContact O-CG 3.33Å; Q167-E171 PolarHBondContact O-N 3.32Å |
| 168 | Q | 95.1 | Very high | 94.6 | Very high | 115 Ų | 115 | 91.2 Ų | 91.2 | 54% | 0.537 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 172.4 | -76.5 | 175.5 | -14 | 0 | 0 | 112.7 | K164 E165 E166 E171 A172 | K164-Q168 WeakPolarHBondContact O-CB 3.38Å; K164-Q168 VanDerWaalsContact O-CG 3.28Å; K164-Q168 WeakPolarHBondContact O-CG 3.23Å; K164-Q168 PolarHBondContact O-N 2.9Å; E165-Q168 PolarHBondContact O-N 3.35Å; E166-Q168 VanDerWaalsContact C-N 3.32Å; E166-Q168 PolarHBondContact O-N 3.44Å; Q168-E171 PolarHBondContact O-N 3.43Å; Q168-A172 WeakPolarHBondContact O-CB 3.36Å; Q168-A172 PolarHBondContact O-N 2.98Å |
| 169 | K | 95.9 | Very high | 94.7 | Very high | 122 Ų | 122 | 90 Ų | 90 | 53% | 0.53 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 174.5 | -68.5 | 158.3 | -167.9 | 162.6 | 0 | 111.4 | E165 E166 T173 | E165-K169 WeakPolarHBondContact O-CD 3.35Å; E165-K169 VanDerWaalsContact O-CG 3.24Å; E165-K169 WeakPolarHBondContact O-CG 3.43Å; E165-K169 PolarHBondContact O-N 3.1Å; E165-K169 IonicContact OE2-NZ 3.04Å; E165-K169 PolarHBondContact OE2-NZ 3.22Å; E166-K169 PolarHBondContact O-N 3.2Å; K169-T173 WeakPolarHBondContact O-CG2 3.08Å; K169-T173 PolarHBondContact O-N 3.25Å; K169-T173 PolarHBondContact O-OG1 3.43Å |
| 170 | V | 94 | Very high | 94.8 | Very high | 39 Ų | 39 | 88.5 Ų | 88.5 | 24% | 0.236 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 173.4 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | E166 Q167 T173 M174 | E166-V170 WeakPolarHBondContact O-CG2 3.44Å; E166-V170 PolarHBondContact O-N 2.66Å; Q167-V170 PolarHBondContact O-N 3.37Å; V170-T173 WeakPolarHBondContact CA-OG1 3.13Å; V170-T173 PolarHBondContact O-OG1 3.2Å; V170-T173 VanDerWaalsContact O-OG1 3.08Å; V170-M174 HydrophobicContact CG1-CE 4.16Å; V170-M174 WeakPolarHBondContact O-CB 3.35Å; V170-M174 WeakPolarHBondContact O-CG 3.38Å; V170-M174 PolarHBondContact O-N 2.98Å |
| 171 | E | 93.8 | Very high | 94.8 | Very high | 73 Ų | 73 | 92.5 Ų | 92.5 | 34% | 0.341 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68 | -37.8 | 176.7 | -72.7 | -176.4 | -166.6 | 0 | 0 | 112.7 | Q167 Q168 M174 V175 | Q167-E171 PolarHBondContact NE2-OE1 2.93Å; Q167-E171 WeakPolarHBondContact O-CG 3.33Å; Q167-E171 PolarHBondContact O-N 3.32Å; Q168-E171 PolarHBondContact O-N 3.43Å; E171-M174 HydrophobicContact CB-CE 4.42Å; E171-M174 HydrophobicContact CG-CE 3.86Å; E171-M174 PolarHBondContact O-N 3.4Å; E171-V175 WeakPolarHBondContact O-CG2 3.4Å; E171-V175 PolarHBondContact O-N 3.02Å; E171-V175 VanDerWaalsContact O-N 3.11Å |
| 172 | A | 96 | Very high | 94.8 | Very high | 48 Ų | 48 | 88.8 Ų | 88.8 | 40% | 0.397 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.2 | -51.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q168 M174 V175 E176 | Q168-A172 WeakPolarHBondContact O-CB 3.36Å; Q168-A172 PolarHBondContact O-N 2.98Å; A172-M174 VanDerWaalsContact C-N 3.32Å; A172-M174 PolarHBondContact O-N 3.15Å; A172-V175 WeakPolarHBondContact O-CA 3.36Å; A172-V175 WeakPolarHBondContact O-CB 2.98Å; A172-V175 PolarHBondContact O-N 2.77Å; A172-E176 WeakPolarHBondContact O-CG 3.28Å; A172-E176 PolarHBondContact O-N 3.04Å |
| 173 | T | 95.4 | Very high | 94.8 | Very high | 62 Ų | 62 | 93.9 Ų | 93.9 | 38% | 0.38 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.6 | -33.7 | 179.1 | 50.2 | 0 | 0 | 0 | 0 | 112.8 | K169 V170 V175 E176 Q177 | K169-T173 WeakPolarHBondContact O-CG2 3.08Å; K169-T173 PolarHBondContact O-N 3.25Å; K169-T173 PolarHBondContact O-OG1 3.43Å; V170-T173 WeakPolarHBondContact CA-OG1 3.13Å; V170-T173 PolarHBondContact O-OG1 3.2Å; V170-T173 VanDerWaalsContact O-OG1 3.08Å; T173-V175 VanDerWaalsContact C-N 3.35Å; T173-E176 PolarHBondContact O-N 3.31Å; T173-Q177 WeakPolarHBondContact O-CB 3.47Å; T173-Q177 VanDerWaalsContact O-CG 3.3Å; T173-Q177 WeakPolarHBondContact O-CG 3.39Å; T173-Q177 PolarHBondContact O-N 3.22Å |
| 174 | M | 92.9 | Very high | 94.7 | Very high | 78 Ų | 78 | 96.3 Ų | 96.3 | 38% | 0.384 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.9 | -38 | 169.5 | -77.6 | -167.6 | -65.1 | 0 | 0 | 112.8 | V170 E171 A172 R178 | V170-M174 HydrophobicContact CG1-CE 4.16Å; V170-M174 WeakPolarHBondContact O-CB 3.35Å; V170-M174 WeakPolarHBondContact O-CG 3.38Å; V170-M174 PolarHBondContact O-N 2.98Å; E171-M174 HydrophobicContact CB-CE 4.42Å; E171-M174 HydrophobicContact CG-CE 3.86Å; E171-M174 PolarHBondContact O-N 3.4Å; A172-M174 VanDerWaalsContact C-N 3.32Å; A172-M174 PolarHBondContact O-N 3.15Å; M174-R178 VanDerWaalsContact O-CB 3.25Å; M174-R178 WeakPolarHBondContact O-CB 3.14Å; M174-R178 PolarHBondContact O-N 2.98Å; M174-R178 VanDerWaalsContact O-N 3.11Å |
| 175 | V | 94.2 | Very high | 94.5 | Very high | 80 Ų | 80 | 94.5 Ų | 94.5 | 49% | 0.485 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.3 | -46.9 | 174.9 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | E171 A172 T173 Q177 R178 E179 | E171-V175 WeakPolarHBondContact O-CG2 3.4Å; E171-V175 PolarHBondContact O-N 3.02Å; E171-V175 VanDerWaalsContact O-N 3.11Å; A172-V175 WeakPolarHBondContact O-CA 3.36Å; A172-V175 WeakPolarHBondContact O-CB 2.98Å; A172-V175 PolarHBondContact O-N 2.77Å; T173-V175 VanDerWaalsContact C-N 3.35Å; V175-Q177 PolarHBondContact O-N 2.97Å; V175-R178 WeakPolarHBondContact O-CB 3.4Å; V175-R178 PolarHBondContact O-N 2.83Å; V175-R178 VanDerWaalsContact O-N 3.12Å; V175-E179 HydrophobicContact CG1-CG 4.48Å; V175-E179 WeakPolarHBondContact O-CG 3.24Å; V175-E179 PolarHBondContact O-N 3.25Å |
| 176 | E | 95.7 | Very high | 94.4 | Very high | 125 Ų | 125 | 96.7 Ų | 96.7 | 58% | 0.584 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -56.4 | -50.1 | 177.1 | -70 | 173.5 | 168.1 | 0 | 0 | 112.1 | A172 T173 R178 E179 E180 | A172-E176 WeakPolarHBondContact O-CG 3.28Å; A172-E176 PolarHBondContact O-N 3.04Å; T173-E176 PolarHBondContact O-N 3.31Å; E176-R178 VanDerWaalsContact C-N 3.3Å; E176-R178 PolarHBondContact O-N 3.25Å; E176-E179 PolarHBondContact O-N 3.29Å; E176-E180 WeakPolarHBondContact O-CB 3.34Å; E176-E180 PolarHBondContact O-N 3.12Å |
| 177 | Q | 94.8 | Very high | 94.4 | Very high | 107 Ų | 107 | 97.6 Ų | 97.6 | 50% | 0.5 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.2 | -42 | 175.3 | -71.8 | 178.1 | 27.5 | 0 | 0 | 111.8 | T173 V175 E180 W181 | T173-Q177 WeakPolarHBondContact O-CB 3.47Å; T173-Q177 VanDerWaalsContact O-CG 3.3Å; T173-Q177 WeakPolarHBondContact O-CG 3.39Å; T173-Q177 PolarHBondContact O-N 3.22Å; V175-Q177 PolarHBondContact O-N 2.97Å; Q177-E180 PolarHBondContact O-N 3.49Å; Q177-W181 PolarHBondContact O-N 3.25Å |
| 178 | R | 94.7 | Very high | 94.3 | Very high | 153 Ų | 153 | 106 Ų | 106 | 58% | 0.577 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.3 | -37 | 179.6 | -171.6 | -175.7 | -166.9 | -141.3 | 8.5 | 112.2 | M174 V175 E176 D182 | M174-R178 VanDerWaalsContact O-CB 3.25Å; M174-R178 WeakPolarHBondContact O-CB 3.14Å; M174-R178 PolarHBondContact O-N 2.98Å; M174-R178 VanDerWaalsContact O-N 3.11Å; V175-R178 WeakPolarHBondContact O-CB 3.4Å; V175-R178 PolarHBondContact O-N 2.83Å; V175-R178 VanDerWaalsContact O-N 3.12Å; E176-R178 VanDerWaalsContact C-N 3.3Å; E176-R178 PolarHBondContact O-N 3.25Å; R178-D182 PolarHBondContact O-N 2.91Å |
| 179 | E | 95.3 | Very high | 94.3 | Very high | 116 Ų | 116 | 106.4 Ų | 106.4 | 54% | 0.542 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.4 | -41.9 | 172 | -71.5 | -150.7 | 165.7 | 0 | 0 | 112.2 | V175 E176 W181 D182 R183 | V175-E179 HydrophobicContact CG1-CG 4.48Å; V175-E179 WeakPolarHBondContact O-CG 3.24Å; V175-E179 PolarHBondContact O-N 3.25Å; E176-E179 PolarHBondContact O-N 3.29Å; E179-W181 VanDerWaalsContact C-N 3.34Å; E179-W181 PolarHBondContact O-N 3.2Å; E179-D182 CarbonylContact O-C 3.5Å; E179-D182 PolarHBondContact O-N 2.94Å; E179-R183 VanDerWaalsContact O-CB 3.23Å; E179-R183 WeakPolarHBondContact O-CB 3.19Å; E179-R183 PolarHBondContact O-N 2.66Å |
| 180 | E | 95.9 | Very high | 94.1 | Very high | 84 Ų | 84 | 110.6 Ų | 110.6 | 39% | 0.393 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 177.9 | -158.2 | -135.5 | -167.3 | 0 | 0 | 111.2 | E176 Q177 R183 K184 | E176-E180 WeakPolarHBondContact O-CB 3.34Å; E176-E180 PolarHBondContact O-N 3.12Å; Q177-E180 PolarHBondContact O-N 3.49Å; E180-R183 WeakPolarHBondContact O-CB 3.32Å; E180-R183 PolarHBondContact O-N 3.41Å; E180-K184 HydrophobicContact CG-CD 4.48Å; E180-K184 WeakPolarHBondContact O-CB 3.45Å; E180-K184 WeakPolarHBondContact O-CG 3.05Å; E180-K184 PolarHBondContact O-N 3.4Å; E180-K184 WeakPolarHBondContact OE1-CE 3.49Å; E180-K184 IonicContact OE1-NZ 2.84Å; E180-K184 PolarHBondContact OE1-NZ 2.9Å; E180-K184 WeakPolarHBondContact OE2-CE 3.09Å; E180-K184 IonicContact OE2-NZ 3.62Å; E180-K184 PolarHBondContact OE2-NZ 2.89Å |
| 181 | W | 93.2 | Very high | 94.1 | Very high | 110 Ų | 110 | 114.5 Ų | 114.5 | 42% | 0.417 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 171 | -85.1 | 114.5 | 0 | 0 | 0 | 112.9 | Q177 E179 R183 R185 | Q177-W181 PolarHBondContact O-N 3.25Å; E179-W181 VanDerWaalsContact C-N 3.34Å; E179-W181 PolarHBondContact O-N 3.2Å; W181-R183 VanDerWaalsContact C-N 3.34Å; W181-R185 VanDerWaalsContact O-CB 3.24Å; W181-R185 WeakPolarHBondContact O-CB 3.49Å; W181-R185 PolarHBondContact O-N 2.96Å |
| 182 | D | 93.3 | Very high | 94.1 | Very high | 46 Ų | 46 | 117 Ų | 117 | 25% | 0.246 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -69.7 | -31.1 | 176.3 | -87.2 | -5.7 | 0 | 0 | 0 | 112.2 | K126 R178 E179 R185 K186 | K126-D182 IonicContact NZ-OD1 3.83Å; K126-D182 PolarHBondContact NZ-OD1 3.45Å; K126-D182 IonicContact NZ-OD2 3.85Å; K126-D182 PolarHBondContact NZ-OD2 2.59Å; R178-D182 PolarHBondContact O-N 2.91Å; E179-D182 CarbonylContact O-C 3.5Å; E179-D182 PolarHBondContact O-N 2.94Å; D182-R185 PolarHBondContact O-N 3.28Å; D182-K186 WeakPolarHBondContact O-CB 3.21Å; D182-K186 WeakPolarHBondContact O-CD 3.42Å; D182-K186 WeakPolarHBondContact O-CG 3.44Å; D182-K186 PolarHBondContact O-N 3.07Å |
| 183 | R | 94.8 | Very high | 94 | Very high | 154 Ų | 154 | 123.9 Ų | 123.9 | 58% | 0.581 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.6 | -54.2 | 174.6 | -166.8 | -175.9 | -57.6 | -160.4 | 2.7 | 110 | E179 E180 W181 R185 K186 I187 | E179-R183 VanDerWaalsContact O-CB 3.23Å; E179-R183 WeakPolarHBondContact O-CB 3.19Å; E179-R183 PolarHBondContact O-N 2.66Å; E180-R183 WeakPolarHBondContact O-CB 3.32Å; E180-R183 PolarHBondContact O-N 3.41Å; W181-R183 VanDerWaalsContact C-N 3.34Å; R183-R185 PolarHBondContact O-N 3.43Å; R183-K186 PolarHBondContact O-N 3.44Å; R183-I187 WeakPolarHBondContact O-CG1 3.39Å; R183-I187 PolarHBondContact O-N 3.42Å |
| 184 | K | 94.1 | Very high | 94 | Very high | 108 Ų | 108 | 121.5 Ų | 121.5 | 47% | 0.47 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -53 | -39.8 | 171.9 | -74 | 170.8 | 175.1 | 168 | 0 | 111.8 | E180 | E180-K184 HydrophobicContact CG-CD 4.48Å; E180-K184 WeakPolarHBondContact O-CB 3.45Å; E180-K184 WeakPolarHBondContact O-CG 3.05Å; E180-K184 PolarHBondContact O-N 3.4Å; E180-K184 WeakPolarHBondContact OE1-CE 3.49Å; E180-K184 IonicContact OE1-NZ 2.84Å; E180-K184 PolarHBondContact OE1-NZ 2.9Å; E180-K184 WeakPolarHBondContact OE2-CE 3.09Å; E180-K184 IonicContact OE2-NZ 3.62Å; E180-K184 PolarHBondContact OE2-NZ 2.89Å |
| 185 | R | 91.1 | Very high | 94.2 | Very high | 129 Ų | 129 | 120.7 Ų | 120.7 | 49% | 0.487 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -74.7 | -23.5 | 177.4 | -166.4 | -179 | -169.6 | -159.2 | 5.5 | 114.8 | R125 W181 D182 R183 | R125-R185 PolarHBondContact O-NH1 2.96Å; R125-R185 VanDerWaalsContact O-NH1 3.15Å; R125-R185 PolarHBondContact O-NH2 3.21Å; W181-R185 VanDerWaalsContact O-CB 3.24Å; W181-R185 WeakPolarHBondContact O-CB 3.49Å; W181-R185 PolarHBondContact O-N 2.96Å; D182-R185 PolarHBondContact O-N 3.28Å; R183-R185 PolarHBondContact O-N 3.43Å |
| 186 | K | 92.8 | Very high | 94.2 | Very high | 166 Ų | 166 | 119.7 Ų | 119.7 | 72% | 0.722 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -83.6 | -31.8 | 176 | -75.9 | 162.5 | -173.5 | 172.1 | 0 | 112 | D182 R183 K188 | D182-K186 WeakPolarHBondContact O-CB 3.21Å; D182-K186 WeakPolarHBondContact O-CD 3.42Å; D182-K186 WeakPolarHBondContact O-CG 3.44Å; D182-K186 PolarHBondContact O-N 3.07Å; R183-K186 PolarHBondContact O-N 3.44Å; K186-K188 PolarHBondContact O-N 2.61Å |
| 187 | I | 94.3 | Very high | 94.1 | Very high | 119 Ų | 119 | 116 Ų | 116 | 61% | 0.61 | 53% | 0.526 | S | S | * | . | trans | -58.6 | 130.4 | 177.1 | -70.1 | 165.5 | 0 | 0 | 0 | 110 | R183 | R183-I187 WeakPolarHBondContact O-CG1 3.39Å; R183-I187 PolarHBondContact O-N 3.42Å | ||
| 188 | K | 93.1 | Very high | 94.1 | Very high | 191 Ų | 191 | 118.8 Ų | 118.8 | 83% | 0.83 | 55% | 0.545 | S | S | * | . | trans | -108.4 | 114.9 | 179.6 | -179.7 | -172.5 | 172.7 | -168.5 | 0 | 109.2 | K186 K190 | K186-K188 PolarHBondContact O-N 2.61Å; K188-K190 PolarHBondContact O-N 3.41Å | ||
| 189 | V | 94.1 | Very high | 94 | Very high | 125 Ų | 125 | 114.3 Ų | 114.3 | 76% | 0.758 | 54% | 0.535 | S | S | * | . | trans | -52.9 | 133.2 | 174.6 | -176.3 | 0 | 0 | 0 | 0 | 110.3 | R191 | V189-R191 PolarHBondContact O-N 3.21Š| ||
| 190 | K | 93.5 | Very high | 94.1 | Very high | 209 Ų | 209 | 112.6 Ų | 112.6 | 91% | 0.909 | 52% | 0.523 | S | S | * | . | trans | -64.2 | 127.2 | 174.6 | -66.2 | 179.7 | -178.4 | 174.9 | 0 | 108.4 | K188 | K188-K190 PolarHBondContact O-N 3.41Š| ||
| 191 | R | 92.2 | Very high | 94.1 | Very high | 121 Ų | 121 | 108.9 Ų | 108.9 | 46% | 0.457 | 51% | 0.508 | S | S | . | . | trans | -113.1 | 132.1 | -179.8 | -171 | -167.8 | 72.1 | 90.2 | -8.2 | 109.4 | V189 R193 G197 V203 | V189-R191 PolarHBondContact O-N 3.21Å; R191-R193 PolarHBondContact O-N 3.24Å; R191-G197 PolarHBondContact NH2-O 3.22Å; R191-V203 VanDerWaalsContact NH1-CG1 3.3Å; R191-V203 VanDerWaalsContact NH1-CG2 3.27Å | ||
| 192 | E | 93.7 | Very high | 94.3 | Very high | 126 Ų | 126 | 104 Ų | 104 | 59% | 0.589 | 49% | 0.492 | S | S | * | . | trans | -54.1 | 134.5 | 168.8 | -162.7 | -156.6 | 151.5 | 0 | 0 | 110 | R223 | E192-R223 IonicContact OE1-NH1 2.61Å; E192-R223 PolarHBondContact OE1-NH1 2.89Å; E192-R223 IonicContact OE2-NH1 2.66Å | ||
| 193 | R | 95.4 | Very high | 94.5 | Very high | 192 Ų | 192 | 102.5 Ų | 102.5 | 73% | 0.725 | 48% | 0.484 | S | S | * | . | trans | -92.7 | 140.1 | 176.7 | 67 | -175.8 | -175.9 | -139.6 | -1.6 | 109.5 | R191 | R191-R193 PolarHBondContact O-N 3.24Š| ||
| 194 | G | 95.1 | Very high | 94.5 | Very high | 12 Ų | 12 | 97 Ų | 97 | 12% | 0.124 | 47% | 0.469 | C | S | . | . | trans | -75.5 | -150.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | S196 G201 | G194-S196 PolarHBondContact O-N 2.78Å; G194-G201 CarbonylContact C-O 3.57Å; G194-G201 VanDerWaalsContact CA-O 3.3Å; G194-G201 WeakPolarHBondContact CA-O 3.35Å | ||
| 195 | W | 96.1 | Very high | 94.6 | Very high | 62 Ų | 62 | 94.4 Ų | 94.4 | 24% | 0.235 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -56.6 | -21.4 | -173.8 | -48.5 | -33.2 | 0 | 0 | 0 | 115.1 | G201 L225 R320 A321 T324 M344 | W195-G201 PolarHBondContact N-O 2.92Å; W195-L225 VanDerWaalsContact CH2-O 3.3Å; W195-L225 WeakPolarHBondContact CH2-O 3.14Å; W195-L225 HydrophobicContact CZ2-CD2 4.37Å; W195-L225 WeakPolarHBondContact CZ3-O 3.2Å; W195-R320 HydrophobicContact CD2-CB 4.44Å; W195-R320 HydrophobicContact CD2-CG 3.92Å; W195-R320 HydrophobicContact CE3-CG 4.14Å; W195-R320 HydrophobicContact CG-CB 4.46Å; W195-R320 HydrophobicContact CG-CG 4.3Å; W195-R320 HydrophobicContact CZ2-CG 4.46Å; W195-A321 HydrophobicContact CH2-CB 3.84Å; W195-A321 HydrophobicContact CZ2-CB 3.95Å; W195-T324 PolarHBondContact NE1-OG1 3.13Å; W195-M344 HydrophobicContact CH2-CE 3.77Å; W195-M344 HydrophobicContact CZ3-CE 3.82Å |
| 196 | S | 95.8 | Very high | 94.8 | Very high | 59 Ų | 59 | 89.3 Ų | 89.3 | 41% | 0.413 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -157.7 | 155 | 170.7 | -44.5 | 0 | 0 | 0 | 0 | 109.8 | G194 N198 T199 | G194-S196 PolarHBondContact O-N 2.78Å; S196-N198 PolarHBondContact O-N 3.37Å; S196-T199 WeakPolarHBondContact CA-OG1 3.3Å; S196-T199 VanDerWaalsContact CB-OG1 3.3Å; S196-T199 WeakPolarHBondContact CB-OG1 3.4Å; S196-T199 PolarHBondContact N-OG1 3.11Å; S196-T199 VanDerWaalsContact N-OG1 3.13Å; S196-T199 PolarHBondContact O-N 3.16Å; S196-T199 VanDerWaalsContact O-N 3.11Å; S196-T199 PolarHBondContact O-OG1 2.84Å |
| 197 | G | 92.9 | Very high | 95 | Very high | 46 Ų | 46 | 84.3 Ų | 84.3 | 47% | 0.474 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -39.8 | -166.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | R191 | R191-G197 PolarHBondContact NH2-O 3.22Š|
| 198 | N | 94.1 | Very high | 95.1 | Very high | 167 Ų | 167 | 79.1 Ų | 79.1 | 89% | 0.893 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -8.9 | -179.9 | -73.5 | -12.3 | 0 | 0 | 0 | 114 | S196 | S196-N198 PolarHBondContact O-N 3.37Š|
| 199 | T | 93.9 | Very high | 95.3 | Very high | 59 Ų | 59 | 72.7 Ų | 72.7 | 36% | 0.362 | 38% | 0.381 | S | S | . | . | trans | -86.3 | 154.2 | 176.6 | 42 | 0 | 0 | 0 | 0 | 112.3 | S196 | S196-T199 WeakPolarHBondContact CA-OG1 3.3Å; S196-T199 VanDerWaalsContact CB-OG1 3.3Å; S196-T199 WeakPolarHBondContact CB-OG1 3.4Å; S196-T199 PolarHBondContact N-OG1 3.11Å; S196-T199 VanDerWaalsContact N-OG1 3.13Å; S196-T199 PolarHBondContact O-N 3.16Å; S196-T199 VanDerWaalsContact O-N 3.11Å; S196-T199 PolarHBondContact O-OG1 2.84Å | ||
| 200 | W | 96.2 | Very high | 95.5 | Very high | 79 Ų | 79 | 71 Ų | 71 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | trans | -93.5 | -19.3 | 176.8 | -67.4 | 83.7 | 0 | 0 | 0 | 113.4 | G202 V203 I224 V227 F270 | W200-G202 PolarHBondContact O-N 3.08Å; W200-V203 VanDerWaalsContact O-CB 3.29Å; W200-V203 WeakPolarHBondContact O-CB 3.09Å; W200-V203 VanDerWaalsContact O-CG2 3.31Å; W200-V203 WeakPolarHBondContact O-CG2 2.9Å; W200-V203 PolarHBondContact O-N 2.92Å; W200-I224 HydrophobicContact CB-CD1 4.25Å; W200-I224 HydrophobicContact CB-CG2 4.02Å; W200-I224 HydrophobicContact CE3-CD1 3.97Å; W200-I224 WeakPolarHBondContact O-CB 3.48Å; W200-I224 WeakPolarHBondContact O-CG2 3.45Å; W200-V227 HydrophobicContact CB-CB 4.17Å; W200-V227 HydrophobicContact CB-CG2 3.53Å; W200-V227 HydrophobicContact CG-CB 4.41Å; W200-V227 HydrophobicContact CG-CG2 3.96Å; W200-F270 HydrophobicContact CD2-CZ 4.08Å; W200-F270 AromaticContact CE3-CE2 3.97Å; W200-F270 HydrophobicContact CE3-CE2 3.97Å; W200-F270 AromaticContact CE3-CZ 3.56Å; W200-F270 HydrophobicContact CE3-CZ 3.56Å; W200-F270 AromaticContact CZ3-CE2 3.86Å; W200-F270 HydrophobicContact CZ3-CE2 3.86Å; W200-F270 AromaticContact CZ3-CZ 3.95Å; W200-F270 HydrophobicContact CZ3-CZ 3.95Å | ||
| 201 | G | 97.1 | Very high | 95.5 | Very high | 6 Ų | 6 | 61.9 Ų | 61.9 | 6% | 0.062 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 131.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G194 W195 V203 I224 | G194-G201 CarbonylContact C-O 3.57Å; G194-G201 VanDerWaalsContact CA-O 3.3Å; G194-G201 WeakPolarHBondContact CA-O 3.35Å; W195-G201 PolarHBondContact N-O 2.92Å; G201-V203 VanDerWaalsContact C-N 3.33Å; G201-I224 CarbonylContact C-O 3.58Å; G201-I224 WeakPolarHBondContact CA-O 3.3Å |
| 202 | G | 96.5 | Very high | 95.7 | Very high | 8 Ų | 8 | 62.3 Ų | 62.3 | 8% | 0.082 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | -7.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | W200 R223 I224 | W200-G202 PolarHBondContact O-N 3.08Å; G202-R223 WeakPolarHBondContact O-CD 3.48Å; G202-R223 PolarHBondContact O-NH1 3.48Å; G202-I224 PolarHBondContact N-O 3.13Å |
| 203 | V | 97.3 | Very high | 95.7 | Very high | 15 Ų | 15 | 62.4 Ų | 62.4 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | trans | -77 | 135.1 | 176.7 | -179.9 | 0 | 0 | 0 | 0 | 109.7 | R191 W200 G201 I224 | R191-V203 VanDerWaalsContact NH1-CG1 3.3Å; R191-V203 VanDerWaalsContact NH1-CG2 3.27Å; W200-V203 VanDerWaalsContact O-CB 3.29Å; W200-V203 WeakPolarHBondContact O-CB 3.09Å; W200-V203 VanDerWaalsContact O-CG2 3.31Å; W200-V203 WeakPolarHBondContact O-CG2 2.9Å; W200-V203 PolarHBondContact O-N 2.92Å; G201-V203 VanDerWaalsContact C-N 3.33Å; V203-I224 HydrophobicContact CB-CD1 4.45Å; V203-I224 PolarHBondContact O-N 2.91Å; V203-I224 VanDerWaalsContact O-N 3.09Å | ||
| 204 | S | 96.3 | Very high | 95.6 | Very high | 37 Ų | 37 | 56.1 Ų | 56.1 | 26% | 0.259 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -75.7 | 147.6 | 170 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | G206 D221 T222 | S204-G206 PolarHBondContact OG-N 2.9Å; S204-D221 WeakPolarHBondContact CB-OD1 3.29Å; S204-D221 PolarHBondContact OG-OD1 3.21Å; S204-T222 CarbonylContact C-O 3.6Å; S204-T222 VanDerWaalsContact CA-O 3.28Å; S204-T222 WeakPolarHBondContact CA-O 3.34Å |
| 205 | I | 94.9 | Very high | 95.5 | Very high | 54 Ų | 54 | 59.4 Ų | 59.4 | 28% | 0.277 | 37% | 0.368 | S | S | . | . | trans | -99.8 | -13.3 | 169.2 | -62.6 | 169.5 | 0 | 0 | 0 | 111.2 | T222 I224 V247 F270 K274 | I205-T222 HydrophobicContact CB-CG2 3.91Å; I205-T222 HydrophobicContact CD1-CG2 3.93Å; I205-T222 HydrophobicContact CG1-CG2 4.31Å; I205-T222 PolarHBondContact N-O 2.67Å; I205-I224 HydrophobicContact CD1-CD1 3.9Å; I205-I224 HydrophobicContact CD1-CG1 3.55Å; I205-I224 HydrophobicContact CG1-CD1 3.86Å; I205-I224 HydrophobicContact CG1-CG1 3.87Å; I205-V247 HydrophobicContact CD1-CG2 4.18Å; I205-F270 HydrophobicContact CD1-CB 4.05Å; I205-F270 HydrophobicContact CD1-CD1 3.96Å; I205-F270 HydrophobicContact CD1-CG 4.04Å; I205-K274 HydrophobicContact CG2-CD 3.98Å | ||
| 206 | G | 95.6 | Very high | 95.5 | Very high | 23 Ų | 23 | 60.7 Ų | 60.7 | 24% | 0.237 | 38% | 0.383 | C | S | . | . | trans | 84.6 | 177.5 | -163.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S204 T222 | S204-G206 PolarHBondContact OG-N 2.9Å; G206-T222 WeakPolarHBondContact O-CB 3.26Å; G206-T222 PolarHBondContact O-OG1 3.45Å | ||
| 207 | P | 97.2 | Very high | 95.5 | Very high | 61 Ų | 61 | 59.3 Ų | 59.3 | 40% | 0.396 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -65.2 | 158.7 | -174 | 26.3 | -35 | 0 | 0 | 0 | 113.5 | Y217 F220 K274 | P207-Y217 WeakPolarHBondContact CB-O 3.38Å; P207-F220 VanDerWaalsContact CA-O 3.27Å; P207-F220 WeakPolarHBondContact CA-O 3.31Å; P207-K274 WeakPolarHBondContact O-CD 3.28Å; P207-K274 WeakPolarHBondContact O-CE 3.18Å; P207-K274 PolarHBondContact O-NZ 3.21Å |
| 208 | P | 97.2 | Very high | 95.6 | Very high | 9 Ų | 9 | 64.7 Ų | 64.7 | 6% | 0.058 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -51.4 | 153.2 | 172.8 | -21.2 | 29.8 | 0 | 0 | 0 | 113.8 | Y217 F220 K274 I278 | P208-Y217 HydrophobicContact CB-CD2 3.72Å; P208-Y217 HydrophobicContact CB-CE2 4.48Å; P208-Y217 HydrophobicContact CB-CG 4.18Å; P208-Y217 HydrophobicContact CG-CD2 4.37Å; P208-Y217 HydrophobicContact CG-CG 4.33Å; P208-F220 HydrophobicContact CG-CB 4.14Å; P208-K274 HydrophobicContact CB-CG 4.24Å; P208-K274 HydrophobicContact CG-CG 4.45Å; P208-I278 HydrophobicContact CB-CG1 3.91Å; P208-I278 HydrophobicContact CG-CD1 3.62Å; P208-I278 HydrophobicContact CG-CG1 3.5Å |
| 209 | D | 97 | Very high | 95.7 | Very high | 56 Ų | 56 | 63.1 Ų | 63.1 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 142.9 | 170.9 | -49.4 | -28.8 | 0 | 0 | 0 | 108.3 | R271 K274 N275 | D209-R271 WeakPolarHBondContact OD2-CD 3.39Å; D209-R271 WeakPolarHBondContact OD2-CG 3.3Å; D209-K274 VanDerWaalsContact OD1-CE 3.31Å; D209-K274 WeakPolarHBondContact OD1-CE 3.48Å; D209-K274 IonicContact OD1-NZ 3.84Å; D209-K274 PolarHBondContact OD1-NZ 3.13Å; D209-N275 WeakPolarHBondContact CB-ND2 3.31Å; D209-N275 PolarHBondContact N-OD1 2.99Å; D209-N275 PolarHBondContact OD2-ND2 3.34Å; D209-N275 PolarHBondContact OD2-OD1 3.47Å |
| 210 | P | 96.9 | Very high | 95.8 | Very high | 90 Ų | 90 | 61.5 Ų | 61.5 | 58% | 0.584 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 152.2 | -179.3 | 26.4 | -34.8 | 0 | 0 | 0 | 112.5 | E215 | P210-E215 CarbonylContact C-O 3.51Å; P210-E215 VanDerWaalsContact CA-O 3.25Å; P210-E215 WeakPolarHBondContact CA-O 3.36Å; P210-E215 WeakPolarHBondContact CB-O 3.28Å |
| 211 | G | 94.7 | Very high | 95.9 | Very high | 18 Ų | 18 | 59.9 Ų | 59.9 | 19% | 0.186 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 161.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | N213 G214 E215 | G211-N213 PolarHBondContact O-N 3.18Å; G211-G214 PolarHBondContact O-N 2.77Å; G211-E215 PolarHBondContact N-O 3.48Å |
| 212 | P | 95.7 | Very high | 96 | Very high | 130 Ų | 130 | 59.6 Ų | 59.6 | 84% | 0.844 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -20.2 | 179.3 | 29 | -35.7 | 0 | 0 | 0 | 113.2 | G214 | P212-G214 VanDerWaalsContact C-N 3.29Å; P212-G214 PolarHBondContact O-N 2.79Å |
| 213 | N | 94.5 | Very high | 96 | Very high | 127 Ų | 127 | 61.8 Ų | 61.8 | 68% | 0.679 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 8.9 | -177 | -50.9 | -35.4 | 0 | 0 | 0 | 113.4 | G211 E215 | G211-N213 PolarHBondContact O-N 3.18Å; N213-E215 VanDerWaalsContact C-N 3.3Å; N213-E215 HydrophobicContact CB-CG 4.3Å; N213-E215 PolarHBondContact ND2-OE1 2.87Å |
| 214 | G | 93.2 | Very high | 96.1 | Very high | 60 Ų | 60 | 61.1 Ų | 61.1 | 62% | 0.619 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 83 | 1.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G211 P212 T216 | G211-G214 PolarHBondContact O-N 2.77Å; P212-G214 VanDerWaalsContact C-N 3.29Å; P212-G214 PolarHBondContact O-N 2.79Å; G214-T216 PolarHBondContact O-N 2.92Å; G214-T216 PolarHBondContact O-OG1 2.98Å |
| 215 | E | 93.4 | Very high | 96.2 | Very high | 82 Ų | 82 | 59.5 Ų | 59.5 | 38% | 0.383 | 35% | 0.346 | S | S | . | . | trans | -59.6 | 123.5 | 174.9 | -67.9 | 167.4 | -120.4 | 0 | 0 | 111.3 | P210 G211 N213 Y217 | P210-E215 CarbonylContact C-O 3.51Å; P210-E215 VanDerWaalsContact CA-O 3.25Å; P210-E215 WeakPolarHBondContact CA-O 3.36Å; P210-E215 WeakPolarHBondContact CB-O 3.28Å; G211-E215 PolarHBondContact N-O 3.48Å; N213-E215 VanDerWaalsContact C-N 3.3Å; N213-E215 HydrophobicContact CB-CG 4.3Å; N213-E215 PolarHBondContact ND2-OE1 2.87Å; E215-Y217 HydrophobicContact CB-CE1 4.1Å; E215-Y217 HydrophobicContact CB-CE2 4.45Å; E215-Y217 PolarHBondContact OE2-OH 3.18Å | ||
| 216 | T | 95 | Very high | 96.3 | Very high | 88 Ų | 88 | 58.5 Ų | 58.5 | 54% | 0.54 | 34% | 0.34 | S | S | . | . | trans | -125.4 | 144.4 | -179.5 | -50.3 | 0 | 0 | 0 | 0 | 109.7 | G214 E218 | G214-T216 PolarHBondContact O-N 2.92Å; G214-T216 PolarHBondContact O-OG1 2.98Å; T216-E218 HydrophobicContact CG2-CG 3.61Å | ||
| 217 | Y | 95.3 | Very high | 96.4 | Very high | 31 Ų | 31 | 59.5 Ų | 59.5 | 12% | 0.122 | 34% | 0.341 | C | S | . | . | trans | -129.7 | 41.6 | -165.9 | -45.7 | -73 | 0 | 0 | 0 | 112.5 | P207 P208 E215 D219 F220 I278 | P207-Y217 WeakPolarHBondContact CB-O 3.38Å; P208-Y217 HydrophobicContact CB-CD2 3.72Å; P208-Y217 HydrophobicContact CB-CE2 4.48Å; P208-Y217 HydrophobicContact CB-CG 4.18Å; P208-Y217 HydrophobicContact CG-CD2 4.37Å; P208-Y217 HydrophobicContact CG-CG 4.33Å; E215-Y217 HydrophobicContact CB-CE1 4.1Å; E215-Y217 HydrophobicContact CB-CE2 4.45Å; E215-Y217 PolarHBondContact OE2-OH 3.18Å; Y217-D219 VanDerWaalsContact C-N 3.29Å; Y217-D219 PolarHBondContact O-N 2.79Å; Y217-F220 PolarHBondContact O-N 3.1Å; Y217-F220 VanDerWaalsContact O-N 3.15Å; Y217-I278 HydrophobicContact CD1-CG2 4.13Å; Y217-I278 HydrophobicContact CE1-CG2 3.74Å | ||
| 218 | E | 95 | Very high | 96.5 | Very high | 159 Ų | 159 | 63.2 Ų | 63.2 | 74% | 0.743 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -33.8 | -171.7 | -48.8 | -154.2 | 145.8 | 0 | 0 | 113 | T216 F220 | T216-E218 HydrophobicContact CG2-CG 3.61Å; E218-F220 PolarHBondContact O-N 2.91Å |
| 219 | D | 96.2 | Very high | 96.5 | Very high | 133 Ų | 133 | 67 Ų | 67 | 71% | 0.711 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -15.2 | 177.4 | -57.6 | -41.3 | 0 | 0 | 0 | 114.4 | Y217 N251 | Y217-D219 VanDerWaalsContact C-N 3.29Å; Y217-D219 PolarHBondContact O-N 2.79Å; D219-N251 HydrophobicContact CB-CB 4.29Å; D219-N251 WeakPolarHBondContact O-CA 3.41Å |
| 220 | F | 97.6 | Very high | 96.5 | Very high | 25 Ų | 25 | 66.2 Ų | 66.2 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | trans | -93.4 | 110.5 | -172.9 | -75.2 | -96.9 | 0 | 0 | 0 | 112.4 | P207 P208 Y217 E218 V249 G250 N251 I278 L281 | P207-F220 VanDerWaalsContact CA-O 3.27Å; P207-F220 WeakPolarHBondContact CA-O 3.31Å; P208-F220 HydrophobicContact CG-CB 4.14Å; Y217-F220 PolarHBondContact O-N 3.1Å; Y217-F220 VanDerWaalsContact O-N 3.15Å; E218-F220 PolarHBondContact O-N 2.91Å; F220-V249 HydrophobicContact CD1-CB 4.49Å; F220-G250 WeakPolarHBondContact CA-O 3.44Å; F220-N251 HydrophobicContact CD1-CB 4.18Å; F220-N251 HydrophobicContact CD2-CB 4.32Å; F220-N251 HydrophobicContact CE1-CB 4Å; F220-N251 HydrophobicContact CE2-CB 4.17Å; F220-N251 HydrophobicContact CG-CB 4.33Å; F220-N251 HydrophobicContact CZ-CB 4Å; F220-I278 HydrophobicContact CB-CD1 4.42Å; F220-I278 HydrophobicContact CD1-CD1 3.66Å; F220-I278 HydrophobicContact CD2-CD1 4.43Å; F220-I278 HydrophobicContact CE1-CD1 3.97Å; F220-I278 HydrophobicContact CG-CD1 3.92Å; F220-I278 HydrophobicContact CZ-CD1 4.46Å; F220-L281 HydrophobicContact CE1-CD1 3.9Å; F220-L281 HydrophobicContact CE1-CD2 3.78Å; F220-L281 HydrophobicContact CZ-CD1 3.89Å | ||
| 221 | D | 97.6 | Very high | 96.6 | Very high | 46 Ų | 46 | 66.8 Ų | 66.8 | 25% | 0.246 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 144.8 | 165.2 | -173.2 | 12.8 | 0 | 0 | 0 | 110.4 | S204 R223 V249 G250 L328 | S204-D221 WeakPolarHBondContact CB-OD1 3.29Å; S204-D221 PolarHBondContact OG-OD1 3.21Å; D221-R223 IonicContact OD1-NE 2.79Å; D221-R223 IonicContact OD2-CZ 2.91Å; D221-R223 IonicContact OD2-NE 3.19Å; D221-R223 PolarHBondContact OD2-NE 2.88Å; D221-R223 IonicContact OD2-NH2 3.26Å; D221-R223 PolarHBondContact OD2-NH2 2.72Å; D221-V249 WeakPolarHBondContact O-CA 3.48Å; D221-G250 PolarHBondContact N-O 2.99Å; D221-G250 VanDerWaalsContact N-O 3.15Å; D221-G250 PolarHBondContact O-N 3.09Å; D221-L328 HydrophobicContact CB-CD2 3.74Å; D221-L328 WeakPolarHBondContact O-CD2 3.38Å |
| 222 | T | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 104.5 | -177.5 | -61.3 | 0 | 0 | 0 | 0 | 109.6 | S204 I205 G206 V247 V249 K274 | S204-T222 CarbonylContact C-O 3.6Å; S204-T222 VanDerWaalsContact CA-O 3.28Å; S204-T222 WeakPolarHBondContact CA-O 3.34Å; I205-T222 HydrophobicContact CB-CG2 3.91Å; I205-T222 HydrophobicContact CD1-CG2 3.93Å; I205-T222 HydrophobicContact CG1-CG2 4.31Å; I205-T222 PolarHBondContact N-O 2.67Å; G206-T222 WeakPolarHBondContact O-CB 3.26Å; G206-T222 PolarHBondContact O-OG1 3.45Å; T222-V247 HydrophobicContact CG2-CG1 3.28Å; T222-V249 HydrophobicContact CG2-CG1 4Å; T222-K274 HydrophobicContact CG2-CB 4.1Å; T222-K274 HydrophobicContact CG2-CD 4.12Å; T222-K274 HydrophobicContact CG2-CG 3.74Å |
| 223 | R | 98.2 | Very high | 96.8 | Very high | 54 Ų | 54 | 71.5 Ų | 71.5 | 20% | 0.204 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.5 | -179 | -62.5 | -79.6 | 171.1 | 169 | -6.7 | 112.3 | E192 G202 D221 A248 T324 L328 | E192-R223 IonicContact OE1-NH1 2.61Å; E192-R223 PolarHBondContact OE1-NH1 2.89Å; E192-R223 IonicContact OE2-NH1 2.66Å; G202-R223 WeakPolarHBondContact O-CD 3.48Å; G202-R223 PolarHBondContact O-NH1 3.48Å; D221-R223 IonicContact OD1-NE 2.79Å; D221-R223 IonicContact OD2-CZ 2.91Å; D221-R223 IonicContact OD2-NE 3.19Å; D221-R223 PolarHBondContact OD2-NE 2.88Å; D221-R223 IonicContact OD2-NH2 3.26Å; D221-R223 PolarHBondContact OD2-NH2 2.72Å; R223-A248 PolarHBondContact N-O 3.29Å; R223-A248 PolarHBondContact O-N 3.35Å; R223-T324 HydrophobicContact CB-CG2 3.49Å; R223-T324 VanDerWaalsContact CB-CG2 3.49Å; R223-T324 HydrophobicContact CG-CG2 3.93Å; R223-L328 HydrophobicContact CB-CD1 4.07Å; R223-L328 HydrophobicContact CG-CD1 4.22Å; R223-L328 HydrophobicContact CG-CD2 4.14Å; R223-L328 HydrophobicContact CG-CG 4.36Å |
| 224 | I | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 137.4 | 175.9 | -63.9 | 165.3 | 0 | 0 | 0 | 110.5 | W200 G201 G202 V203 I205 V227 V245 V247 F270 | W200-I224 HydrophobicContact CB-CD1 4.25Å; W200-I224 HydrophobicContact CB-CG2 4.02Å; W200-I224 HydrophobicContact CE3-CD1 3.97Å; W200-I224 WeakPolarHBondContact O-CB 3.48Å; W200-I224 WeakPolarHBondContact O-CG2 3.45Å; G201-I224 CarbonylContact C-O 3.58Å; G201-I224 WeakPolarHBondContact CA-O 3.3Å; G202-I224 PolarHBondContact N-O 3.13Å; V203-I224 HydrophobicContact CB-CD1 4.45Å; V203-I224 PolarHBondContact O-N 2.91Å; V203-I224 VanDerWaalsContact O-N 3.09Å; I205-I224 HydrophobicContact CD1-CD1 3.9Å; I205-I224 HydrophobicContact CD1-CG1 3.55Å; I205-I224 HydrophobicContact CG1-CD1 3.86Å; I205-I224 HydrophobicContact CG1-CG1 3.87Å; I224-V227 HydrophobicContact CG2-CG2 3.71Å; I224-V245 HydrophobicContact CG2-CG1 4.3Å; I224-V247 HydrophobicContact CG1-CG2 4.49Å; I224-F270 HydrophobicContact CD1-CD1 4.21Å; I224-F270 HydrophobicContact CD1-CE1 3.5Å; I224-F270 HydrophobicContact CD1-CE2 4.39Å; I224-F270 HydrophobicContact CD1-CZ 3.6Å; I224-F270 HydrophobicContact CG1-CE1 4.13Å |
| 225 | L | 98.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.016 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -42 | 175.6 | -57.3 | 178.4 | 0 | 0 | 0 | 113.1 | W195 L246 A248 A321 T324 I325 M344 T348 | W195-L225 VanDerWaalsContact CH2-O 3.3Å; W195-L225 WeakPolarHBondContact CH2-O 3.14Å; W195-L225 HydrophobicContact CZ2-CD2 4.37Å; W195-L225 WeakPolarHBondContact CZ3-O 3.2Å; L225-L246 HydrophobicContact CB-CD2 4.19Å; L225-L246 HydrophobicContact CB-CG 4.13Å; L225-L246 HydrophobicContact CD1-CD2 4.31Å; L225-L246 HydrophobicContact CD1-CG 4.23Å; L225-L246 PolarHBondContact N-O 2.85Å; L225-A248 HydrophobicContact CD1-CB 3.92Å; L225-A248 HydrophobicContact CG-CB 4.36Å; L225-A321 HydrophobicContact CD2-CB 4.44Å; L225-T324 HydrophobicContact CD2-CG2 4.09Å; L225-I325 HydrophobicContact CD1-CD1 3.81Å; L225-I325 HydrophobicContact CD1-CG1 4.08Å; L225-I325 HydrophobicContact CD2-CD1 4.4Å; L225-I325 HydrophobicContact CD2-CG1 4.13Å; L225-M344 HydrophobicContact CB-CG 4.18Å; L225-T348 HydrophobicContact CD1-CG2 4.03Å |
| 226 | E | 97.9 | Very high | 97.3 | Very high | 33 Ų | 33 | 75.8 Ų | 75.8 | 15% | 0.154 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 134.7 | 177.5 | -169.3 | -164.8 | -175.1 | 0 | 0 | 110.1 | R228 R244 V245 L246 M344 | E226-R228 HydrophobicContact CG-CB 4.36Å; E226-R228 VanDerWaalsContact OE1-CD 3.29Å; E226-R228 WeakPolarHBondContact OE1-CD 3.45Å; E226-R244 IonicContact OE1-NH2 2.77Å; E226-R244 IonicContact OE2-CZ 3.48Å; E226-R244 IonicContact OE2-NE 2.67Å; E226-R244 IonicContact OE2-NH2 3.21Å; E226-R244 PolarHBondContact OE2-NH2 3.12Å; E226-V245 CarbonylContact O-C 3.51Å; E226-V245 VanDerWaalsContact O-CA 3.29Å; E226-V245 WeakPolarHBondContact O-CA 3.32Å; E226-V245 WeakPolarHBondContact O-CG1 3.29Å; E226-L246 HydrophobicContact CB-CB 3.92Å; E226-L246 PolarHBondContact N-O 2.88Å; E226-L246 PolarHBondContact O-N 2.91Å; E226-M344 HydrophobicContact CB-CB 4.46Å; E226-M344 HydrophobicContact CB-CG 4.38Å |
| 227 | V | 98.1 | Very high | 97.3 | Very high | 44 Ų | 44 | 75.9 Ų | 75.9 | 27% | 0.267 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 113.5 | 163 | 176 | 0 | 0 | 0 | 0 | 107.8 | W200 I224 V243 V245 F270 | W200-V227 HydrophobicContact CB-CB 4.17Å; W200-V227 HydrophobicContact CB-CG2 3.53Å; W200-V227 HydrophobicContact CG-CB 4.41Å; W200-V227 HydrophobicContact CG-CG2 3.96Å; I224-V227 HydrophobicContact CG2-CG2 3.71Å; V227-V243 HydrophobicContact CG1-CG1 4.02Å; V227-V245 HydrophobicContact CG2-CG1 3.99Å; V227-V245 HydrophobicContact CG2-CG2 4.24Å; V227-F270 HydrophobicContact CG2-CE1 3.86Å; V227-F270 HydrophobicContact CG2-CZ 4.28Å |
| 228 | R | 98 | Very high | 97.2 | Very high | 139 Ų | 139 | 75.4 Ų | 75.4 | 53% | 0.525 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 122 | -176.8 | -173.3 | 168.9 | 177 | 167.7 | -0.2 | 110.8 | E226 V230 R244 | E226-R228 HydrophobicContact CG-CB 4.36Å; E226-R228 VanDerWaalsContact OE1-CD 3.29Å; E226-R228 WeakPolarHBondContact OE1-CD 3.45Å; R228-V230 HydrophobicContact CG-CG1 4.02Å; R228-V230 PolarHBondContact O-N 2.89Å; R228-R244 PolarHBondContact N-O 3.21Å; R228-R244 PolarHBondContact O-N 2.94Å |
| 229 | N | 97.6 | Very high | 97.3 | Very high | 87 Ų | 87 | 75.9 Ų | 75.9 | 47% | 0.465 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 119.8 | 164.1 | -60.8 | -58.4 | 0 | 0 | 0 | 107.8 | F231 K241 | N229-F231 HydrophobicContact CB-CE2 4.47Å; N229-K241 WeakPolarHBondContact OD1-CE 3.42Å; N229-K241 PolarHBondContact OD1-NZ 3.05Å |
| 230 | V | 97.9 | Very high | 97.3 | Very high | 40 Ų | 40 | 73.9 Ų | 73.9 | 24% | 0.242 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 157.9 | 173.6 | -63.3 | 0 | 0 | 0 | 0 | 109.2 | R228 S242 R244 | R228-V230 HydrophobicContact CG-CG1 4.02Å; R228-V230 PolarHBondContact O-N 2.89Å; V230-S242 WeakPolarHBondContact CG2-O 3.39Å; V230-S242 PolarHBondContact N-O 2.85Å; V230-S242 PolarHBondContact O-N 3.05Å; V230-R244 HydrophobicContact CG1-CB 4.29Å; V230-R244 HydrophobicContact CG2-CB 4.46Å |
| 231 | F | 97.6 | Very high | 97.3 | Very high | 103 Ų | 103 | 77.5 Ų | 77.5 | 45% | 0.452 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.9 | -178.8 | -59.1 | -88.1 | 0 | 0 | 0 | 109.6 | N229 R239 K240 K241 | N229-F231 HydrophobicContact CB-CE2 4.47Å; F231-R239 HydrophobicContact CB-CG 3.94Å; F231-R239 HydrophobicContact CD1-CG 3.72Å; F231-R239 VanDerWaalsContact CD2-NH2 3.32Å; F231-R239 VanDerWaalsContact CE2-NH2 3.28Å; F231-R239 HydrophobicContact CG-CG 4.06Å; F231-K240 CarbonylContact C-O 3.56Å; F231-K240 VanDerWaalsContact CA-O 3.26Å; F231-K240 WeakPolarHBondContact CA-O 3.43Å; F231-K241 HydrophobicContact CD1-CB 4.03Å; F231-K241 HydrophobicContact CD1-CG 4.18Å; F231-K241 HydrophobicContact CE1-CB 3.94Å; F231-K241 HydrophobicContact CE1-CG 3.8Å; F231-K241 HydrophobicContact CZ-CG 4.42Å |
| 232 | N | 97.3 | Very high | 97.3 | Very high | 112 Ų | 112 | 76.7 Ų | 76.7 | 60% | 0.599 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 154.9 | 167.4 | -168.5 | 28.3 | 0 | 0 | 0 | 108.9 | R239 K240 | N232-R239 CarbonylContact O-C 3.55Å; N232-K240 PolarHBondContact N-O 3Å; N232-K240 PolarHBondContact O-N 3.2Å |
| 233 | M | 97.9 | Very high | 97.3 | Very high | 134 Ų | 134 | 76.9 Ų | 76.9 | 66% | 0.66 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 145.8 | 165.2 | -161.1 | 59.3 | 73 | 0 | 0 | 109.2 | ||
| 234 | T | 97.3 | Very high | 97.3 | Very high | 45 Ų | 45 | 76.6 Ų | 76.6 | 28% | 0.276 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 125.8 | -177.2 | -60.1 | 0 | 0 | 0 | 0 | 108.6 | K236 E237 G238 | T234-K236 VanDerWaalsContact C-N 3.33Å; T234-K236 PolarHBondContact O-N 3.13Å; T234-K236 VanDerWaalsContact O-N 3.1Å; T234-E237 PolarHBondContact O-N 2.9Å; T234-G238 PolarHBondContact N-O 3.49Å; T234-G238 WeakPolarHBondContact O-CA 3.29Å; T234-G238 PolarHBondContact O-N 2.93Å |
| 235 | A | 97.8 | Very high | 97.3 | Very high | 110 Ų | 110 | 76.5 Ų | 76.5 | 91% | 0.909 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | -46.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 236 | K | 96.4 | Very high | 97.3 | Very high | 205 Ų | 205 | 76.4 Ų | 76.4 | 89% | 0.891 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -36.1 | -177.5 | -61 | -174.5 | 179.4 | -177.4 | 0 | 114.2 | T234 | T234-K236 VanDerWaalsContact C-N 3.33Å; T234-K236 PolarHBondContact O-N 3.13Å; T234-K236 VanDerWaalsContact O-N 3.1Å |
| 237 | E | 94 | Very high | 97.4 | Very high | 90 Ų | 90 | 74.8 Ų | 74.8 | 42% | 0.421 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -28.5 | -175.6 | -72.6 | 175.2 | -149.4 | 0 | 0 | 113.2 | K114 T234 K240 | K114-E237 WeakPolarHBondContact CE-O 3.48Å; K114-E237 PolarHBondContact NZ-O 3.11Å; K114-E237 VanDerWaalsContact NZ-O 3.16Å; T234-E237 PolarHBondContact O-N 2.9Å; E237-K240 VanDerWaalsContact CD-NZ 3.31Å; E237-K240 IonicContact OE1-NZ 2.75Å; E237-K240 PolarHBondContact OE1-NZ 3.23Å; E237-K240 WeakPolarHBondContact OE2-CD 3.36Å; E237-K240 WeakPolarHBondContact OE2-CE 3.37Å; E237-K240 WeakPolarHBondContact OE2-CG 3.47Å; E237-K240 IonicContact OE2-NZ 3.23Å; E237-K240 PolarHBondContact OE2-NZ 3.34Å |
| 238 | G | 95.2 | Very high | 97.4 | Very high | 21 Ų | 21 | 72.7 Ų | 72.7 | 22% | 0.216 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.5 | -127.1 | -159.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T234 K240 | T234-G238 PolarHBondContact N-O 3.49Å; T234-G238 WeakPolarHBondContact O-CA 3.29Å; T234-G238 PolarHBondContact O-N 2.93Å; G238-K240 PolarHBondContact O-N 2.77Å |
| 239 | R | 96.1 | Very high | 97.4 | Very high | 169 Ų | 169 | 66.1 Ų | 66.1 | 64% | 0.638 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 82.9 | -174.4 | -173.5 | 178.9 | 173.1 | 159.4 | -0 | 112.5 | F231 N232 | F231-R239 HydrophobicContact CB-CG 3.94Å; F231-R239 HydrophobicContact CD1-CG 3.72Å; F231-R239 VanDerWaalsContact CD2-NH2 3.32Å; F231-R239 VanDerWaalsContact CE2-NH2 3.28Å; F231-R239 HydrophobicContact CG-CG 4.06Å; N232-R239 CarbonylContact O-C 3.55Å |
| 240 | K | 96.4 | Very high | 97.4 | Very high | 90 Ų | 90 | 62 Ų | 62 | 39% | 0.391 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 129.3 | 175.9 | -172.2 | 164.6 | -161.9 | 135.3 | 0 | 111.2 | F231 N232 E237 G238 | F231-K240 CarbonylContact C-O 3.56Å; F231-K240 VanDerWaalsContact CA-O 3.26Å; F231-K240 WeakPolarHBondContact CA-O 3.43Å; N232-K240 PolarHBondContact N-O 3Å; N232-K240 PolarHBondContact O-N 3.2Å; E237-K240 VanDerWaalsContact CD-NZ 3.31Å; E237-K240 IonicContact OE1-NZ 2.75Å; E237-K240 PolarHBondContact OE1-NZ 3.23Å; E237-K240 WeakPolarHBondContact OE2-CD 3.36Å; E237-K240 WeakPolarHBondContact OE2-CE 3.37Å; E237-K240 WeakPolarHBondContact OE2-CG 3.47Å; E237-K240 IonicContact OE2-NZ 3.23Å; E237-K240 PolarHBondContact OE2-NZ 3.34Å; G238-K240 PolarHBondContact O-N 2.77Å |
| 241 | K | 97.1 | Very high | 97.4 | Very high | 102 Ų | 102 | 62.1 Ų | 62.1 | 44% | 0.443 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 139.5 | 177.3 | -171.6 | -163.5 | 172.1 | -163.6 | 0 | 111.1 | N229 F231 | N229-K241 WeakPolarHBondContact OD1-CE 3.42Å; N229-K241 PolarHBondContact OD1-NZ 3.05Å; F231-K241 HydrophobicContact CD1-CB 4.03Å; F231-K241 HydrophobicContact CD1-CG 4.18Å; F231-K241 HydrophobicContact CE1-CB 3.94Å; F231-K241 HydrophobicContact CE1-CG 3.8Å; F231-K241 HydrophobicContact CZ-CG 4.42Å |
| 242 | S | 97.5 | Very high | 97.4 | Very high | 28 Ų | 28 | 58.3 Ų | 58.3 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 156.4 | 163.1 | 170.6 | 0 | 0 | 0 | 0 | 110.4 | V230 A263 | V230-S242 WeakPolarHBondContact CG2-O 3.39Å; V230-S242 PolarHBondContact N-O 2.85Å; V230-S242 PolarHBondContact O-N 3.05Å; S242-A263 WeakPolarHBondContact CA-O 3.49Å; S242-A263 WeakPolarHBondContact CB-O 3.5Å; S242-A263 PolarHBondContact OG-O 2.87Å |
| 243 | V | 98.4 | Very high | 97.3 | Very high | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.024 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 125.3 | 171.3 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | V227 V245 K262 A263 R266 A269 | V227-V243 HydrophobicContact CG1-CG1 4.02Å; V243-V245 HydrophobicContact CG1-CG2 3.98Å; V243-K262 WeakPolarHBondContact O-CA 3.3Å; V243-A263 PolarHBondContact N-O 3.01Å; V243-A263 PolarHBondContact O-N 2.75Å; V243-R266 HydrophobicContact CG1-CB 4.36Å; V243-R266 HydrophobicContact CG1-CG 4.31Å; V243-R266 HydrophobicContact CG2-CB 4.4Å; V243-A269 HydrophobicContact CB-CB 4.37Å; V243-A269 HydrophobicContact CG1-CB 4.39Å |
| 244 | R | 98.4 | Very high | 97.3 | Very high | 48 Ų | 48 | 51.6 Ų | 51.6 | 18% | 0.181 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 133 | 164.6 | -178.4 | -178.8 | 114.5 | 169.5 | 1.3 | 108.6 | E226 R228 V230 I260 G261 K262 | E226-R244 IonicContact OE1-NH2 2.77Å; E226-R244 IonicContact OE2-CZ 3.48Å; E226-R244 IonicContact OE2-NE 2.67Å; E226-R244 IonicContact OE2-NH2 3.21Å; E226-R244 PolarHBondContact OE2-NH2 3.12Å; R228-R244 PolarHBondContact N-O 3.21Å; R228-R244 PolarHBondContact O-N 2.94Å; V230-R244 HydrophobicContact CG1-CB 4.29Å; V230-R244 HydrophobicContact CG2-CB 4.46Å; R244-I260 HydrophobicContact CG-CG2 3.62Å; R244-G261 WeakPolarHBondContact CA-O 3.37Å; R244-K262 HydrophobicContact CB-CG 4.21Å; R244-K262 HydrophobicContact CG-CG 4.2Å |
| 245 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 138.5 | 170.6 | -169 | 0 | 0 | 0 | 0 | 109.4 | I224 E226 V227 V243 V247 I260 G261 A269 F270 A273 | I224-V245 HydrophobicContact CG2-CG1 4.3Å; E226-V245 CarbonylContact O-C 3.51Å; E226-V245 VanDerWaalsContact O-CA 3.29Å; E226-V245 WeakPolarHBondContact O-CA 3.32Å; E226-V245 WeakPolarHBondContact O-CG1 3.29Å; V227-V245 HydrophobicContact CG2-CG1 3.99Å; V227-V245 HydrophobicContact CG2-CG2 4.24Å; V243-V245 HydrophobicContact CG1-CG2 3.98Å; V245-V247 HydrophobicContact CG1-CG2 3.56Å; V245-I260 CarbonylContact O-C 3.39Å; V245-I260 VanDerWaalsContact O-CA 3.28Å; V245-I260 WeakPolarHBondContact O-CA 3.24Å; V245-G261 PolarHBondContact N-O 2.57Å; V245-G261 PolarHBondContact O-N 2.86Å; V245-A269 HydrophobicContact CG2-CB 3.78Å; V245-F270 HydrophobicContact CB-CD1 4.33Å; V245-F270 HydrophobicContact CG1-CD1 3.86Å; V245-F270 HydrophobicContact CG1-CE1 3.85Å; V245-F270 HydrophobicContact CG2-CD1 3.82Å; V245-F270 HydrophobicContact CG2-CE1 3.86Å; V245-A273 HydrophobicContact CB-CB 4.5Å |
| 246 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.1 | 162.9 | 177.8 | 64.6 | 0 | 0 | 0 | 108.1 | L225 E226 F258 I260 M344 L345 | L225-L246 HydrophobicContact CB-CD2 4.19Å; L225-L246 HydrophobicContact CB-CG 4.13Å; L225-L246 HydrophobicContact CD1-CD2 4.31Å; L225-L246 HydrophobicContact CD1-CG 4.23Å; L225-L246 PolarHBondContact N-O 2.85Å; E226-L246 HydrophobicContact CB-CB 3.92Å; E226-L246 PolarHBondContact N-O 2.88Å; E226-L246 PolarHBondContact O-N 2.91Å; L246-F258 HydrophobicContact CD1-CD2 4.06Å; L246-I260 HydrophobicContact CD1-CG1 4.1Å; L246-M344 HydrophobicContact CD2-CB 4.33Å; L246-M344 HydrophobicContact CD2-CG 3.9Å; L246-L345 HydrophobicContact CD1-CD1 4.11Å; L246-L345 HydrophobicContact CD2-CB 4.47Å; L246-L345 HydrophobicContact CD2-CD1 4.47Å |
| 247 | V | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 145.9 | -177.9 | 176.1 | 0 | 0 | 0 | 0 | 108.9 | I205 T222 I224 V245 F258 A259 A273 | I205-V247 HydrophobicContact CD1-CG2 4.18Å; T222-V247 HydrophobicContact CG2-CG1 3.28Å; I224-V247 HydrophobicContact CG1-CG2 4.49Å; V245-V247 HydrophobicContact CG1-CG2 3.56Å; V247-F258 VanDerWaalsContact O-CA 3.25Å; V247-F258 WeakPolarHBondContact O-CA 3.25Å; V247-F258 WeakPolarHBondContact O-CB 3.28Å; V247-A259 PolarHBondContact N-O 2.7Å; V247-A259 VanDerWaalsContact N-O 3.13Å; V247-A259 PolarHBondContact O-N 2.8Å; V247-A273 HydrophobicContact CB-CB 3.92Å; V247-A273 HydrophobicContact CG2-CB 3.46Å; V247-A273 VanDerWaalsContact CG2-CB 3.46Å |
| 248 | A | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 149.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | R223 L225 G257 F258 I325 L328 | R223-A248 PolarHBondContact N-O 3.29Å; R223-A248 PolarHBondContact O-N 3.35Å; L225-A248 HydrophobicContact CD1-CB 3.92Å; L225-A248 HydrophobicContact CG-CB 4.36Å; A248-G257 CarbonylContact C-O 3.51Å; A248-G257 VanDerWaalsContact CA-O 3.24Å; A248-G257 WeakPolarHBondContact CA-O 3.31Å; A248-F258 HydrophobicContact CB-CB 4.38Å; A248-I325 HydrophobicContact CB-CG1 4.22Å; A248-L328 HydrophobicContact CB-CD1 3.81Å |
| 249 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 153.1 | 174.9 | -61.9 | 0 | 0 | 0 | 0 | 109.1 | F220 D221 T222 A256 G257 A277 I278 L281 | F220-V249 HydrophobicContact CD1-CB 4.49Å; D221-V249 WeakPolarHBondContact O-CA 3.48Å; T222-V249 HydrophobicContact CG2-CG1 4Å; V249-A256 CarbonylContact O-C 3.59Å; V249-A256 WeakPolarHBondContact O-CA 3.33Å; V249-A256 WeakPolarHBondContact O-CB 3.13Å; V249-G257 PolarHBondContact N-O 3.22Å; V249-G257 PolarHBondContact O-N 3.33Å; V249-A277 HydrophobicContact CB-CB 4.34Å; V249-A277 HydrophobicContact CG1-CB 3.81Å; V249-A277 HydrophobicContact CG2-CB 3.6Å; V249-I278 HydrophobicContact CB-CD1 4.24Å; V249-I278 HydrophobicContact CG2-CD1 3.78Å; V249-I278 HydrophobicContact CG2-CG1 4.43Å; V249-L281 HydrophobicContact CG2-CD2 3.94Å |
| 250 | G | 98.2 | Very high | 97.9 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.3 | 160.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113 | F220 D221 A255 L328 | F220-G250 WeakPolarHBondContact CA-O 3.44Å; D221-G250 PolarHBondContact N-O 2.99Å; D221-G250 VanDerWaalsContact N-O 3.15Å; D221-G250 PolarHBondContact O-N 3.09Å; G250-A255 WeakPolarHBondContact CA-O 3.35Å; G250-L328 CarbonylContact C-O 3.6Å; G250-L328 VanDerWaalsContact C-O 3.29Å; G250-L328 WeakPolarHBondContact CA-O 3.38Å |
| 251 | N | 97.3 | Very high | 98 | Very high | 41 Ų | 41 | 21.9 Ų | 21.9 | 22% | 0.219 | 12% | 0.119 | C | C | . | . | trans | -104.7 | 9.2 | -171.4 | 71.6 | -9.3 | 0 | 0 | 0 | 114.6 | D219 F220 N253 A255 L328 | D219-N251 HydrophobicContact CB-CB 4.29Å; D219-N251 WeakPolarHBondContact O-CA 3.41Å; F220-N251 HydrophobicContact CD1-CB 4.18Å; F220-N251 HydrophobicContact CD2-CB 4.32Å; F220-N251 HydrophobicContact CE1-CB 4Å; F220-N251 HydrophobicContact CE2-CB 4.17Å; F220-N251 HydrophobicContact CG-CB 4.33Å; F220-N251 HydrophobicContact CZ-CB 4Å; N251-N253 PolarHBondContact O-N 2.9Å; N251-N253 VanDerWaalsContact O-N 3.08Å; N251-N253 WeakPolarHBondContact OD1-CA 3.18Å; N251-N253 PolarHBondContact OD1-N 3.37Å; N251-A255 PolarHBondContact N-O 2.98Å; N251-A255 VanDerWaalsContact N-O 3.12Å; N251-A255 PolarHBondContact OD1-N 2.88Å; N251-A255 PolarHBondContact OD1-O 3.47Å; N251-L328 PolarHBondContact N-O 3.48Å | ||
| 252 | G | 96.8 | Very high | 98 | Very high | 23 Ų | 23 | 23.3 Ų | 23.3 | 24% | 0.237 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 69.6 | -0.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | R286 L328 I329 G330 | G252-R286 PolarHBondContact O-NH1 3.33Å; G252-L328 WeakPolarHBondContact CA-O 3.33Å; G252-L328 PolarHBondContact N-O 2.66Å; G252-I329 CarbonylContact C-O 3.59Å; G252-I329 VanDerWaalsContact C-O 3.23Å; G252-G330 WeakPolarHBondContact O-CA 3.43Å |
| 253 | N | 97 | Very high | 98.1 | Very high | 106 Ų | 106 | 22.7 Ų | 22.7 | 57% | 0.567 | 12% | 0.122 | S | C | * | . | S | Bend | trans | -117.7 | 28.6 | -172.5 | -71.2 | -33 | 0 | 0 | 0 | 113.1 | N251 I329 | N251-N253 PolarHBondContact O-N 2.9Å; N251-N253 VanDerWaalsContact O-N 3.08Å; N251-N253 WeakPolarHBondContact OD1-CA 3.18Å; N251-N253 PolarHBondContact OD1-N 3.37Å; N253-I329 PolarHBondContact N-O 3.33Å |
| 254 | G | 96.6 | Very high | 98 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 93.9 | -24.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I284 I329 | G254-I284 WeakPolarHBondContact CA-O 3.45Å; G254-I284 PolarHBondContact O-N 2.99Å; G254-I329 WeakPolarHBondContact CA-O 3.33Å; G254-I329 PolarHBondContact N-O 2.9Å |
| 255 | A | 97.9 | Very high | 97.9 | Very high | 21 Ų | 21 | 28.7 Ų | 28.7 | 17% | 0.174 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 115 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G250 N251 | G250-A255 WeakPolarHBondContact CA-O 3.35Å; N251-A255 PolarHBondContact N-O 2.98Å; N251-A255 VanDerWaalsContact N-O 3.12Å; N251-A255 PolarHBondContact OD1-N 2.88Å; N251-A255 PolarHBondContact OD1-O 3.47Å |
| 256 | A | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 151.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V249 H282 I329 F352 | V249-A256 CarbonylContact O-C 3.59Å; V249-A256 WeakPolarHBondContact O-CA 3.33Å; V249-A256 WeakPolarHBondContact O-CB 3.13Å; A256-H282 PolarHBondContact N-O 3.02Å; A256-H282 PolarHBondContact O-N 2.65Å; A256-I329 HydrophobicContact CB-CG1 3.57Å; A256-F352 HydrophobicContact CB-CE1 3.92Å; A256-F352 HydrophobicContact CB-CZ 4.02Å; A256-F352 VanDerWaalsContact O-CE1 3.32Å; A256-F352 WeakPolarHBondContact O-CE1 3.43Å |
| 257 | G | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 171.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A248 V249 Y280 | A248-G257 CarbonylContact C-O 3.51Å; A248-G257 VanDerWaalsContact CA-O 3.24Å; A248-G257 WeakPolarHBondContact CA-O 3.31Å; V249-G257 PolarHBondContact N-O 3.22Å; V249-G257 PolarHBondContact O-N 3.33Å; G257-Y280 VanDerWaalsContact CA-O 3.28Å; G257-Y280 WeakPolarHBondContact CA-O 3.45Å |
| 258 | F | 98.4 | Very high | 97.8 | Very high | 30 Ų | 30 | 37.9 Ų | 37.9 | 13% | 0.132 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 144.8 | 177.7 | 70.7 | -80.7 | 0 | 0 | 0 | 112.3 | L246 V247 A248 T348 R349 F352 | L246-F258 HydrophobicContact CD1-CD2 4.06Å; V247-F258 VanDerWaalsContact O-CA 3.25Å; V247-F258 WeakPolarHBondContact O-CA 3.25Å; V247-F258 WeakPolarHBondContact O-CB 3.28Å; A248-F258 HydrophobicContact CB-CB 4.38Å; F258-T348 HydrophobicContact CB-CG2 3.95Å; F258-T348 HydrophobicContact CD1-CG2 4.03Å; F258-T348 HydrophobicContact CD2-CG2 3.82Å; F258-T348 HydrophobicContact CE2-CG2 4.39Å; F258-T348 HydrophobicContact CG-CG2 3.63Å; F258-R349 HydrophobicContact CE2-CG 3.7Å; F258-R349 HydrophobicContact CZ-CB 4.5Å; F258-R349 HydrophobicContact CZ-CG 3.63Å; F258-F352 HydrophobicContact CB-CE2 4.22Å; F258-F352 HydrophobicContact CD1-CB 4.47Å; F258-F352 AromaticContact CD1-CD2 3.32Å; F258-F352 HydrophobicContact CD1-CD2 3.32Å; F258-F352 AromaticContact CD1-CE2 3.53Å; F258-F352 HydrophobicContact CD1-CE2 3.53Å; F258-F352 AromaticContact CD1-CG 3.87Å; F258-F352 HydrophobicContact CD1-CG 3.87Å; F258-F352 HydrophobicContact CD1-CZ 4.24Å; F258-F352 HydrophobicContact CE1-CB 3.99Å; F258-F352 AromaticContact CE1-CD2 3.67Å; F258-F352 HydrophobicContact CE1-CD2 3.67Å; F258-F352 HydrophobicContact CE1-CE2 4.34Å; F258-F352 AromaticContact CE1-CG 3.9Å; F258-F352 HydrophobicContact CE1-CG 3.9Å; F258-F352 HydrophobicContact CG-CD2 4.25Å; F258-F352 HydrophobicContact CG-CE2 4.2Å |
| 259 | A | 98.5 | Very high | 97.8 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 5% | 0.05 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 164.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V247 R276 A277 | V247-A259 PolarHBondContact N-O 2.7Å; V247-A259 VanDerWaalsContact N-O 3.13Å; V247-A259 PolarHBondContact O-N 2.8Å; A259-R276 HydrophobicContact CB-CB 4.04Å; A259-R276 HydrophobicContact CB-CG 4.01Å; A259-A277 HydrophobicContact CB-CB 3.85Å |
| 260 | I | 98.4 | Very high | 97.7 | Very high | 47 Ų | 47 | 39.1 Ų | 39.1 | 24% | 0.241 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 117.5 | 176.3 | -55.2 | 177.1 | 0 | 0 | 0 | 109.5 | R244 V245 L246 K262 L345 | R244-I260 HydrophobicContact CG-CG2 3.62Å; V245-I260 CarbonylContact O-C 3.39Å; V245-I260 VanDerWaalsContact O-CA 3.28Å; V245-I260 WeakPolarHBondContact O-CA 3.24Å; L246-I260 HydrophobicContact CD1-CG1 4.1Å; I260-K262 HydrophobicContact CG2-CG 4.41Å; I260-L345 HydrophobicContact CD1-CD1 3.75Å; I260-L345 HydrophobicContact CD1-CD2 3.74Å; I260-L345 HydrophobicContact CD1-CG 4.42Å; I260-L345 HydrophobicContact CG1-CD1 4.28Å |
| 261 | G | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 140.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R244 V245 | R244-G261 WeakPolarHBondContact CA-O 3.37Å; V245-G261 PolarHBondContact N-O 2.57Å; V245-G261 PolarHBondContact O-N 2.86Å |
| 262 | K | 98.4 | Very high | 97.8 | Very high | 132 Ų | 132 | 48.1 Ų | 48.1 | 57% | 0.574 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 130.8 | 169.2 | -73.6 | 178 | 66.2 | -170.3 | 0 | 110.3 | V243 R244 I260 | V243-K262 WeakPolarHBondContact O-CA 3.3Å; R244-K262 HydrophobicContact CB-CG 4.21Å; R244-K262 HydrophobicContact CG-CG 4.2Å; I260-K262 HydrophobicContact CG2-CG 4.41Å |
| 263 | A | 98.2 | Very high | 97.8 | Very high | 16 Ų | 16 | 47 Ų | 47 | 13% | 0.132 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | -176.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S242 V243 D265 D268 A269 | S242-A263 WeakPolarHBondContact CA-O 3.49Å; S242-A263 WeakPolarHBondContact CB-O 3.5Å; S242-A263 PolarHBondContact OG-O 2.87Å; V243-A263 PolarHBondContact N-O 3.01Å; V243-A263 PolarHBondContact O-N 2.75Å; A263-D265 WeakPolarHBondContact CB-O 3.31Å; A263-D268 HydrophobicContact CB-CB 3.63Å; A263-A269 HydrophobicContact CB-CB 4.03Å |
| 264 | A | 96.9 | Very high | 97.9 | Very high | 80 Ų | 80 | 42.8 Ų | 42.8 | 66% | 0.661 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -79.7 | -51 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 265 | D | 96.6 | Very high | 97.9 | Very high | 98 Ų | 98 | 45 Ų | 45 | 52% | 0.524 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -84.3 | 162.8 | 168.8 | -173.1 | 49.6 | 0 | 0 | 0 | 112.5 | A263 G267 | A263-D265 WeakPolarHBondContact CB-O 3.31Å; D265-G267 PolarHBondContact OD2-N 2.69Å |
| 266 | R | 97.1 | Very high | 97.9 | Very high | 98 Ų | 98 | 50.1 Ų | 50.1 | 37% | 0.37 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -78.1 | -33.9 | 176.7 | -175.2 | -178.2 | 63.4 | -145.1 | -8.6 | 113.2 | V243 A269 F270 | V243-R266 HydrophobicContact CG1-CB 4.36Å; V243-R266 HydrophobicContact CG1-CG 4.31Å; V243-R266 HydrophobicContact CG2-CB 4.4Å; R266-A269 PolarHBondContact O-N 3Å; R266-F270 HydrophobicContact CG-CD1 4.46Å; R266-F270 HydrophobicContact CG-CD2 4.15Å; R266-F270 HydrophobicContact CG-CE1 3.96Å; R266-F270 HydrophobicContact CG-CE2 3.62Å; R266-F270 HydrophobicContact CG-CZ 3.51Å; R266-F270 WeakPolarHBondContact O-CG 3.46Å; R266-F270 PolarHBondContact O-N 2.67Å |
| 267 | G | 97 | Very high | 97.9 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 35% | 0.351 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63 | -49.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | D265 A269 F270 R271 | D265-G267 PolarHBondContact OD2-N 2.69Å; G267-A269 VanDerWaalsContact C-N 3.26Å; G267-A269 PolarHBondContact O-N 3.22Å; G267-F270 WeakPolarHBondContact O-CB 3.15Å; G267-F270 PolarHBondContact O-N 3.04Å; G267-F270 VanDerWaalsContact O-N 3.11Å; G267-R271 PolarHBondContact O-N 2.91Å |
| 268 | D | 98.2 | Very high | 97.8 | Very high | 61 Ų | 61 | 51 Ų | 51 | 33% | 0.326 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.7 | -35.7 | 172.2 | -69.1 | -46.3 | 0 | 0 | 0 | 112.6 | A263 F270 R271 K272 | A263-D268 HydrophobicContact CB-CB 3.63Å; D268-F270 VanDerWaalsContact C-N 3.33Å; D268-R271 PolarHBondContact O-N 2.94Å; D268-R271 IonicContact OD1-CZ 3.66Å; D268-R271 IonicContact OD1-NH1 3.76Å; D268-R271 PolarHBondContact OD1-NH1 3.05Å; D268-R271 IonicContact OD1-NH2 2.86Å; D268-R271 PolarHBondContact OD1-NH2 3.3Å; D268-K272 VanDerWaalsContact O-CB 3.28Å; D268-K272 WeakPolarHBondContact O-CB 3.39Å; D268-K272 VanDerWaalsContact O-CG 3.25Å; D268-K272 WeakPolarHBondContact O-CG 3.38Å; D268-K272 PolarHBondContact O-N 2.67Å |
| 269 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.8 | -31.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V243 V245 A263 R266 G267 A273 | V243-A269 HydrophobicContact CB-CB 4.37Å; V243-A269 HydrophobicContact CG1-CB 4.39Å; V245-A269 HydrophobicContact CG2-CB 3.78Å; A263-A269 HydrophobicContact CB-CB 4.03Å; R266-A269 PolarHBondContact O-N 3Å; G267-A269 VanDerWaalsContact C-N 3.26Å; G267-A269 PolarHBondContact O-N 3.22Å; A269-A273 VanDerWaalsContact O-CB 3.24Å; A269-A273 WeakPolarHBondContact O-CB 3.27Å; A269-A273 PolarHBondContact O-N 3.26Å; A269-A273 VanDerWaalsContact O-N 3.13Å |
| 270 | F | 98.2 | Very high | 97.7 | Very high | 25 Ų | 25 | 61.3 Ų | 61.3 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.3 | -52.6 | 170.3 | -68.2 | -29.8 | 0 | 0 | 0 | 111.3 | W200 I205 I224 V227 V245 R266 G267 D268 K272 A273 K274 | W200-F270 HydrophobicContact CD2-CZ 4.08Å; W200-F270 AromaticContact CE3-CE2 3.97Å; W200-F270 HydrophobicContact CE3-CE2 3.97Å; W200-F270 AromaticContact CE3-CZ 3.56Å; W200-F270 HydrophobicContact CE3-CZ 3.56Å; W200-F270 AromaticContact CZ3-CE2 3.86Å; W200-F270 HydrophobicContact CZ3-CE2 3.86Å; W200-F270 AromaticContact CZ3-CZ 3.95Å; W200-F270 HydrophobicContact CZ3-CZ 3.95Å; I205-F270 HydrophobicContact CD1-CB 4.05Å; I205-F270 HydrophobicContact CD1-CD1 3.96Å; I205-F270 HydrophobicContact CD1-CG 4.04Å; I224-F270 HydrophobicContact CD1-CD1 4.21Å; I224-F270 HydrophobicContact CD1-CE1 3.5Å; I224-F270 HydrophobicContact CD1-CE2 4.39Å; I224-F270 HydrophobicContact CD1-CZ 3.6Å; I224-F270 HydrophobicContact CG1-CE1 4.13Å; V227-F270 HydrophobicContact CG2-CE1 3.86Å; V227-F270 HydrophobicContact CG2-CZ 4.28Å; V245-F270 HydrophobicContact CB-CD1 4.33Å; V245-F270 HydrophobicContact CG1-CD1 3.86Å; V245-F270 HydrophobicContact CG1-CE1 3.85Å; V245-F270 HydrophobicContact CG2-CD1 3.82Å; V245-F270 HydrophobicContact CG2-CE1 3.86Å; R266-F270 HydrophobicContact CG-CD1 4.46Å; R266-F270 HydrophobicContact CG-CD2 4.15Å; R266-F270 HydrophobicContact CG-CE1 3.96Å; R266-F270 HydrophobicContact CG-CE2 3.62Å; R266-F270 HydrophobicContact CG-CZ 3.51Å; R266-F270 WeakPolarHBondContact O-CG 3.46Å; R266-F270 PolarHBondContact O-N 2.67Å; G267-F270 WeakPolarHBondContact O-CB 3.15Å; G267-F270 PolarHBondContact O-N 3.04Å; G267-F270 VanDerWaalsContact O-N 3.11Å; D268-F270 VanDerWaalsContact C-N 3.33Å; F270-K272 PolarHBondContact O-N 3.04Å; F270-A273 PolarHBondContact O-N 2.78Å; F270-K274 WeakPolarHBondContact O-CB 3.41Å; F270-K274 PolarHBondContact O-N 3.2Å |
| 271 | R | 98 | Very high | 97.6 | Very high | 116 Ų | 116 | 62.1 Ų | 62.1 | 44% | 0.438 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -54.4 | -49.5 | 177.8 | -169.1 | 169.9 | 69.4 | -99.8 | -6.9 | 111.8 | D209 G267 D268 A273 K274 N275 | D209-R271 WeakPolarHBondContact OD2-CD 3.39Å; D209-R271 WeakPolarHBondContact OD2-CG 3.3Å; G267-R271 PolarHBondContact O-N 2.91Å; D268-R271 PolarHBondContact O-N 2.94Å; D268-R271 IonicContact OD1-CZ 3.66Å; D268-R271 IonicContact OD1-NH1 3.76Å; D268-R271 PolarHBondContact OD1-NH1 3.05Å; D268-R271 IonicContact OD1-NH2 2.86Å; D268-R271 PolarHBondContact OD1-NH2 3.3Å; R271-A273 VanDerWaalsContact C-N 3.31Å; R271-A273 PolarHBondContact O-N 2.9Å; R271-K274 PolarHBondContact O-N 3.24Å; R271-N275 PolarHBondContact O-N 3.06Å; R271-N275 PolarHBondContact O-OD1 3.08Å |
| 272 | K | 98.2 | Very high | 97.6 | Very high | 117 Ų | 117 | 65.5 Ų | 65.5 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.1 | -24 | 178 | -69.5 | -178.5 | -178 | -167.3 | 0 | 114.5 | D268 F270 R276 | D268-K272 VanDerWaalsContact O-CB 3.28Å; D268-K272 WeakPolarHBondContact O-CB 3.39Å; D268-K272 VanDerWaalsContact O-CG 3.25Å; D268-K272 WeakPolarHBondContact O-CG 3.38Å; D268-K272 PolarHBondContact O-N 2.67Å; F270-K272 PolarHBondContact O-N 3.04Å; K272-R276 WeakPolarHBondContact O-CB 3.3Å |
| 273 | A | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -82 | -43.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V245 V247 A269 F270 R271 A277 | V245-A273 HydrophobicContact CB-CB 4.5Å; V247-A273 HydrophobicContact CB-CB 3.92Å; V247-A273 HydrophobicContact CG2-CB 3.46Å; V247-A273 VanDerWaalsContact CG2-CB 3.46Å; A269-A273 VanDerWaalsContact O-CB 3.24Å; A269-A273 WeakPolarHBondContact O-CB 3.27Å; A269-A273 PolarHBondContact O-N 3.26Å; A269-A273 VanDerWaalsContact O-N 3.13Å; F270-A273 PolarHBondContact O-N 2.78Å; R271-A273 VanDerWaalsContact C-N 3.31Å; R271-A273 PolarHBondContact O-N 2.9Å; A273-A277 PolarHBondContact O-N 2.9Å |
| 274 | K | 97.5 | Very high | 97.6 | Very high | 17 Ų | 17 | 66.1 Ų | 66.1 | 7% | 0.074 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.2 | -64.6 | -177.7 | -179 | 177.1 | 74.7 | 155.3 | 0 | 111.4 | I205 P207 P208 D209 T222 F270 R271 R276 A277 | I205-K274 HydrophobicContact CG2-CD 3.98Å; P207-K274 WeakPolarHBondContact O-CD 3.28Å; P207-K274 WeakPolarHBondContact O-CE 3.18Å; P207-K274 PolarHBondContact O-NZ 3.21Å; P208-K274 HydrophobicContact CB-CG 4.24Å; P208-K274 HydrophobicContact CG-CG 4.45Å; D209-K274 VanDerWaalsContact OD1-CE 3.31Å; D209-K274 WeakPolarHBondContact OD1-CE 3.48Å; D209-K274 IonicContact OD1-NZ 3.84Å; D209-K274 PolarHBondContact OD1-NZ 3.13Å; T222-K274 HydrophobicContact CG2-CB 4.1Å; T222-K274 HydrophobicContact CG2-CD 4.12Å; T222-K274 HydrophobicContact CG2-CG 3.74Å; F270-K274 WeakPolarHBondContact O-CB 3.41Å; F270-K274 PolarHBondContact O-N 3.2Å; R271-K274 PolarHBondContact O-N 3.24Å; K274-R276 VanDerWaalsContact C-N 3.26Å; K274-R276 PolarHBondContact O-N 3.04Å; K274-A277 WeakPolarHBondContact O-CB 3.35Å; K274-A277 PolarHBondContact O-N 2.76Å |
| 275 | N | 97.4 | Very high | 97.6 | Very high | 46 Ų | 46 | 65.1 Ų | 65.1 | 25% | 0.246 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.1 | -35.4 | -172.4 | -49.3 | 5 | 0 | 0 | 0 | 110.6 | D209 R271 A277 I278 | D209-N275 WeakPolarHBondContact CB-ND2 3.31Å; D209-N275 PolarHBondContact N-OD1 2.99Å; D209-N275 PolarHBondContact OD2-ND2 3.34Å; D209-N275 PolarHBondContact OD2-OD1 3.47Å; R271-N275 PolarHBondContact O-N 3.06Å; R271-N275 PolarHBondContact O-OD1 3.08Å; N275-A277 VanDerWaalsContact C-N 3.26Å; N275-A277 PolarHBondContact O-N 3.24Å; N275-I278 PolarHBondContact O-N 3.26Å |
| 276 | R | 97.9 | Very high | 97.7 | Very high | 128 Ų | 128 | 63.2 Ų | 63.2 | 48% | 0.483 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.1 | -22.3 | 175.7 | -171.8 | 167.9 | -171 | -161.5 | -3.2 | 113.9 | A259 K272 K274 Y280 | A259-R276 HydrophobicContact CB-CB 4.04Å; A259-R276 HydrophobicContact CB-CG 4.01Å; K272-R276 WeakPolarHBondContact O-CB 3.3Å; K274-R276 VanDerWaalsContact C-N 3.26Å; K274-R276 PolarHBondContact O-N 3.04Å; R276-Y280 HydrophobicContact CG-CD2 4.29Å; R276-Y280 HydrophobicContact CG-CE2 3.76Å; R276-Y280 PolarHBondContact NH2-OH 3.44Å; R276-Y280 VanDerWaalsContact O-CD2 3.24Å; R276-Y280 WeakPolarHBondContact O-CD2 3.48Å |
| 277 | A | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -74.7 | -26.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V249 A259 A273 K274 N275 Y280 | V249-A277 HydrophobicContact CB-CB 4.34Å; V249-A277 HydrophobicContact CG1-CB 3.81Å; V249-A277 HydrophobicContact CG2-CB 3.6Å; A259-A277 HydrophobicContact CB-CB 3.85Å; A273-A277 PolarHBondContact O-N 2.9Å; K274-A277 WeakPolarHBondContact O-CB 3.35Å; K274-A277 PolarHBondContact O-N 2.76Å; N275-A277 VanDerWaalsContact C-N 3.26Å; N275-A277 PolarHBondContact O-N 3.24Å; A277-Y280 CarbonylContact O-C 3.57Å; A277-Y280 PolarHBondContact O-N 3.01Å; A277-Y280 VanDerWaalsContact O-N 3.16Å |
| 278 | I | 96.7 | Very high | 97.7 | Very high | 18 Ų | 18 | 61.5 Ų | 61.5 | 9% | 0.092 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.5 | -32.1 | 177.6 | -63.7 | -66.1 | 0 | 0 | 0 | 111.9 | P208 Y217 F220 V249 N275 Y280 L281 | P208-I278 HydrophobicContact CB-CG1 3.91Å; P208-I278 HydrophobicContact CG-CD1 3.62Å; P208-I278 HydrophobicContact CG-CG1 3.5Å; Y217-I278 HydrophobicContact CD1-CG2 4.13Å; Y217-I278 HydrophobicContact CE1-CG2 3.74Å; F220-I278 HydrophobicContact CB-CD1 4.42Å; F220-I278 HydrophobicContact CD1-CD1 3.66Å; F220-I278 HydrophobicContact CD2-CD1 4.43Å; F220-I278 HydrophobicContact CE1-CD1 3.97Å; F220-I278 HydrophobicContact CG-CD1 3.92Å; F220-I278 HydrophobicContact CZ-CD1 4.46Å; V249-I278 HydrophobicContact CB-CD1 4.24Å; V249-I278 HydrophobicContact CG2-CD1 3.78Å; V249-I278 HydrophobicContact CG2-CG1 4.43Å; N275-I278 PolarHBondContact O-N 3.26Å; I278-Y280 PolarHBondContact O-N 2.78Å; I278-L281 HydrophobicContact CD1-CD2 4.43Å; I278-L281 HydrophobicContact CG2-CD1 4.48Å; I278-L281 WeakPolarHBondContact O-CG 3.39Å |
| 279 | H | 96.5 | Very high | 97.5 | Very high | 133 Ų | 133 | 59.9 Ų | 59.9 | 62% | 0.616 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | 0.7 | 172.8 | -49.6 | -51.5 | 0 | 0 | 0 | 114.2 | ||
| 280 | Y | 97.2 | Very high | 97.4 | Very high | 120 Ų | 120 | 60.4 Ų | 60.4 | 47% | 0.471 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137 | 49.4 | 176.5 | -52.8 | -62.6 | 0 | 0 | 0 | 111.1 | G257 R276 A277 I278 | G257-Y280 VanDerWaalsContact CA-O 3.28Å; G257-Y280 WeakPolarHBondContact CA-O 3.45Å; R276-Y280 HydrophobicContact CG-CD2 4.29Å; R276-Y280 HydrophobicContact CG-CE2 3.76Å; R276-Y280 PolarHBondContact NH2-OH 3.44Å; R276-Y280 VanDerWaalsContact O-CD2 3.24Å; R276-Y280 WeakPolarHBondContact O-CD2 3.48Å; A277-Y280 CarbonylContact O-C 3.57Å; A277-Y280 PolarHBondContact O-N 3.01Å; A277-Y280 VanDerWaalsContact O-N 3.16Å; I278-Y280 PolarHBondContact O-N 2.78Å |
| 281 | L | 97.8 | Very high | 97.4 | Very high | 64 Ų | 64 | 59.2 Ų | 59.2 | 34% | 0.335 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 143 | 168.7 | -67.5 | 172.4 | 0 | 0 | 0 | 110.7 | F220 V249 I278 | F220-L281 HydrophobicContact CE1-CD1 3.9Å; F220-L281 HydrophobicContact CE1-CD2 3.78Å; F220-L281 HydrophobicContact CZ-CD1 3.89Å; V249-L281 HydrophobicContact CG2-CD2 3.94Å; I278-L281 HydrophobicContact CD1-CD2 4.43Å; I278-L281 HydrophobicContact CG2-CD1 4.48Å; I278-L281 WeakPolarHBondContact O-CG 3.39Å |
| 282 | H | 97.9 | Very high | 97.4 | Very high | 73 Ų | 73 | 53.7 Ų | 53.7 | 34% | 0.338 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 139 | 162.1 | -65.4 | -85.6 | 0 | 0 | 0 | 107.9 | A256 I284 F352 | A256-H282 PolarHBondContact N-O 3.02Å; A256-H282 PolarHBondContact O-N 2.65Å; H282-I284 HydrophobicContact CB-CD1 3.95Å; H282-I284 HydrophobicContact CB-CG1 4.46Å; H282-F352 HydrophobicContact CB-CD1 4.11Å; H282-F352 HydrophobicContact CB-CE1 4.5Å; H282-F352 AromaticContact CD2-CD1 3.61Å |
| 283 | Y | 98 | Very high | 97.4 | Very high | 160 Ų | 160 | 49.6 Ų | 49.6 | 63% | 0.627 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 126.8 | 160.5 | -172.9 | -104.9 | 0 | 0 | 0 | 108.5 | E285 | Y283-E285 HydrophobicContact CD1-CG 4.09Å; Y283-E285 HydrophobicContact CE1-CG 3.84Å |
| 284 | I | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | trans | -116.2 | 111.2 | 178.2 | -56 | -57.1 | 0 | 0 | 0 | 108.1 | G254 H282 I329 I331 F352 L355 A356 | G254-I284 WeakPolarHBondContact CA-O 3.45Å; G254-I284 PolarHBondContact O-N 2.99Å; H282-I284 HydrophobicContact CB-CD1 3.95Å; H282-I284 HydrophobicContact CB-CG1 4.46Å; I284-I329 HydrophobicContact CB-CG2 3.79Å; I284-I329 HydrophobicContact CG1-CD1 4.24Å; I284-I329 HydrophobicContact CG1-CG1 4.45Å; I284-I329 HydrophobicContact CG1-CG2 4.38Å; I284-I329 HydrophobicContact CG2-CG2 3.89Å; I284-I331 HydrophobicContact CG2-CD1 4.44Å; I284-F352 HydrophobicContact CD1-CD1 4.41Å; I284-L355 HydrophobicContact CD1-CB 3.79Å; I284-L355 HydrophobicContact CG1-CB 4.41Å; I284-L355 HydrophobicContact CG2-CB 3.83Å; I284-L355 HydrophobicContact CG2-CD1 4.36Å; I284-A356 HydrophobicContact CD1-CB 3.94Å | ||
| 285 | E | 97.6 | Very high | 97.4 | Very high | 59 Ų | 59 | 56.2 Ų | 56.2 | 28% | 0.276 | 26% | 0.256 | S | S | . | . | trans | -64.4 | 150.3 | 176.4 | -57.9 | 161.2 | 132.3 | 0 | 0 | 110.6 | Y283 F293 Q358 T360 | Y283-E285 HydrophobicContact CD1-CG 4.09Å; Y283-E285 HydrophobicContact CE1-CG 3.84Å; E285-F293 HydrophobicContact CB-CD2 4.49Å; E285-F293 HydrophobicContact CB-CE2 3.88Å; E285-Q358 PolarHBondContact O-NE2 3.06Å; E285-T360 HydrophobicContact CB-CG2 4.45Å; E285-T360 HydrophobicContact CG-CG2 4.41Å; E285-T360 VanDerWaalsContact OE1-CG2 3.28Å; E285-T360 WeakPolarHBondContact OE1-CG2 3.24Å; E285-T360 WeakPolarHBondContact OE2-CG2 3.38Å | ||
| 286 | R | 97.8 | Very high | 97.4 | Very high | 58 Ų | 58 | 54.7 Ų | 54.7 | 22% | 0.219 | 25% | 0.248 | C | C | . | . | trans | -135.8 | 124.4 | -177.1 | -65.2 | 177.4 | -67 | 173.6 | -3.9 | 110.2 | G252 E288 G289 T291 G330 I331 | G252-R286 PolarHBondContact O-NH1 3.33Å; R286-E288 PolarHBondContact O-N 3.38Å; R286-G289 PolarHBondContact NH1-O 3.25Å; R286-G289 PolarHBondContact O-N 3.16Å; R286-T291 CarbonylContact C-O 3.57Å; R286-T291 WeakPolarHBondContact CA-O 3.38Å; R286-G330 WeakPolarHBondContact CD-O 3.31Å; R286-G330 PolarHBondContact NH1-O 3Å; R286-I331 HydrophobicContact CG-CG1 4.15Å | ||
| 287 | Y | 97.5 | Very high | 97.4 | Very high | 20 Ų | 20 | 52.8 Ų | 52.8 | 8% | 0.078 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -66.2 | 126.1 | 169.9 | -177.6 | -104 | 0 | 0 | 0 | 109.3 | G289 H290 T291 F293 H361 E374 R376 | Y287-G289 PolarHBondContact O-N 2.9Å; Y287-H290 PolarHBondContact O-N 3.35Å; Y287-T291 HydrophobicContact CD1-CG2 3.91Å; Y287-T291 PolarHBondContact N-O 2.8Å; Y287-T291 PolarHBondContact O-N 3.15Å; Y287-F293 AromaticContact CD2-CD1 3.95Å; Y287-F293 HydrophobicContact CD2-CD1 3.95Å; Y287-F293 AromaticContact CD2-CE1 3.84Å; Y287-F293 HydrophobicContact CD2-CE1 3.84Å; Y287-F293 HydrophobicContact CG-CD1 4.46Å; Y287-H361 AromaticContact CD2-CE1 3.56Å; Y287-H361 AromaticContact CD2-ND1 3.98Å; Y287-H361 AromaticContact CE2-CE1 3.33Å; Y287-H361 WeakPolarHBondContact CE2-CE1 3.45Å; Y287-H361 AromaticContact CE2-ND1 3.68Å; Y287-E374 PolarHBondContact OH-OE1 3.19Å; Y287-E374 PolarHBondContact OH-OE2 2.98Å; Y287-R376 PolarHBondContact OH-NH2 3.26Å |
| 288 | E | 95.8 | Very high | 97.3 | Very high | 75 Ų | 75 | 54 Ų | 54 | 35% | 0.35 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 22.7 | -173.5 | -66.2 | -176.8 | 155 | 0 | 0 | 114.9 | R286 H290 R312 R376 | R286-E288 PolarHBondContact O-N 3.38Å; E288-H290 WeakPolarHBondContact CB-CD2 3.25Å; E288-H290 PolarHBondContact O-N 3.43Å; E288-H290 IonicContact OE2-CD2 2.77Å; E288-H290 PolarHBondContact OE2-CD2 2.84Å; E288-H290 IonicContact OE2-CE1 3.32Å; E288-H290 IonicContact OE2-NE2 3.83Å; E288-H290 PolarHBondContact OE2-NE2 3.06Å; E288-R312 IonicContact OE1-NH2 2.67Å; E288-R312 PolarHBondContact OE1-NH2 3.22Å; E288-R312 IonicContact OE2-CZ 3Å; E288-R312 VanDerWaalsContact OE2-CZ 3.26Å; E288-R312 IonicContact OE2-NE 2.7Å; E288-R312 PolarHBondContact OE2-NE 3.32Å; E288-R312 IonicContact OE2-NH2 3.66Å; E288-R312 PolarHBondContact OE2-NH2 3.4Å; E288-R376 IonicContact OE1-CZ 3.94Å; E288-R376 IonicContact OE1-NH1 3.43Å; E288-R376 IonicContact OE1-NH2 3.38Å; E288-R376 PolarHBondContact OE1-NH2 3.44Å |
| 289 | G | 95 | Very high | 97.3 | Very high | 27 Ų | 27 | 62.4 Ų | 62.4 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 8.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116 | R286 Y287 | R286-G289 PolarHBondContact NH1-O 3.25Å; R286-G289 PolarHBondContact O-N 3.16Å; Y287-G289 PolarHBondContact O-N 2.9Å |
| 290 | H | 97.1 | Very high | 97.3 | Very high | 11 Ų | 11 | 58.2 Ų | 58.2 | 5% | 0.051 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | -29.4 | -177.9 | 72.1 | 82.6 | 0 | 0 | 0 | 115.6 | Y287 E288 R312 I331 K332 D333 | Y287-H290 PolarHBondContact O-N 3.35Å; E288-H290 WeakPolarHBondContact CB-CD2 3.25Å; E288-H290 PolarHBondContact O-N 3.43Å; E288-H290 IonicContact OE2-CD2 2.77Å; E288-H290 PolarHBondContact OE2-CD2 2.84Å; E288-H290 IonicContact OE2-CE1 3.32Å; E288-H290 IonicContact OE2-NE2 3.83Å; E288-H290 PolarHBondContact OE2-NE2 3.06Å; H290-R312 WeakPolarHBondContact NE2-CG 3.39Å; H290-I331 CarbonylContact O-C 3.23Å; H290-K332 HydrophobicContact CB-CB 4.24Å; H290-K332 HydrophobicContact CB-CD 4.19Å; H290-K332 HydrophobicContact CB-CG 4.42Å; H290-K332 PolarHBondContact O-N 2.88Å; H290-D333 IonicContact ND1-OD2 2.68Å; H290-D333 PolarHBondContact O-N 3.38Å; H290-D333 VanDerWaalsContact O-N 3.15Å |
| 291 | T | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -136.5 | -176.4 | -174.9 | -163 | 0 | 0 | 0 | 0 | 112.8 | R286 Y287 K309 Q310 D333 | R286-T291 CarbonylContact C-O 3.57Å; R286-T291 WeakPolarHBondContact CA-O 3.38Å; Y287-T291 HydrophobicContact CD1-CG2 3.91Å; Y287-T291 PolarHBondContact N-O 2.8Å; Y287-T291 PolarHBondContact O-N 3.15Å; T291-K309 HydrophobicContact CG2-CG 3.95Å; T291-Q310 PolarHBondContact OG1-N 3.15Å; T291-D333 VanDerWaalsContact CB-O 3.23Å; T291-D333 WeakPolarHBondContact CB-O 3.28Å; T291-D333 PolarHBondContact OG1-O 3.17Å |
| 292 | I | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -88.5 | 156.5 | 175.8 | 60.1 | 178.2 | 0 | 0 | 0 | 110.9 | H294 I296 M307 K309 I331 M334 L355 | I292-H294 WeakPolarHBondContact CD1-O 3.36Å; I292-H294 WeakPolarHBondContact CG1-O 3.4Å; I292-H294 PolarHBondContact O-N 3.41Å; I292-I296 HydrophobicContact CD1-CD1 4.15Å; I292-I296 HydrophobicContact CD1-CG1 4.34Å; I292-M307 HydrophobicContact CD1-CB 4Å; I292-K309 HydrophobicContact CG1-CB 4.23Å; I292-K309 WeakPolarHBondContact O-CG 3.41Å; I292-I331 HydrophobicContact CG2-CD1 4.19Å; I292-M334 HydrophobicContact CD1-CG 4.38Å; I292-M334 HydrophobicContact CD1-SD 4.1Å; I292-M334 HydrophobicContact CG2-SD 3.99Å; I292-L355 HydrophobicContact CG2-CD2 3.53Å | ||
| 293 | F | 98.1 | Very high | 97.3 | Very high | 31 Ų | 31 | 63 Ų | 63 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -67.8 | -36.2 | -175.5 | -81.3 | -92 | 0 | 0 | 0 | 113.9 | E285 Y287 K309 Q358 T360 H361 | E285-F293 HydrophobicContact CB-CD2 4.49Å; E285-F293 HydrophobicContact CB-CE2 3.88Å; Y287-F293 AromaticContact CD2-CD1 3.95Å; Y287-F293 HydrophobicContact CD2-CD1 3.95Å; Y287-F293 AromaticContact CD2-CE1 3.84Å; Y287-F293 HydrophobicContact CD2-CE1 3.84Å; Y287-F293 HydrophobicContact CG-CD1 4.46Å; F293-K309 WeakPolarHBondContact O-CD 3.32Å; F293-Q358 HydrophobicContact CD2-CG 4.45Å; F293-Q358 VanDerWaalsContact N-OE1 3.16Å; F293-T360 HydrophobicContact CD2-CG2 4.32Å; F293-T360 HydrophobicContact CE1-CG2 4.45Å; F293-T360 HydrophobicContact CE2-CG2 3.98Å; F293-T360 HydrophobicContact CZ-CG2 4.04Å; F293-H361 AromaticContact CD1-CD2 3.64Å; F293-H361 AromaticContact CD1-CG 3.91Å; F293-H361 AromaticContact CD1-NE2 3.81Å |
| 294 | H | 97.8 | Very high | 97.3 | Very high | 74 Ų | 74 | 59.4 Ų | 59.4 | 34% | 0.343 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -152.9 | 176.7 | -178.4 | 57.2 | -98.3 | 0 | 0 | 0 | 111.8 | I292 I296 E359 | I292-H294 WeakPolarHBondContact CD1-O 3.36Å; I292-H294 WeakPolarHBondContact CG1-O 3.4Å; I292-H294 PolarHBondContact O-N 3.41Å; H294-I296 PolarHBondContact O-N 2.8Å; H294-E359 PolarHBondContact CE1-N 3.36Å; H294-E359 PolarHBondContact CE1-O 3.22Å; H294-E359 PolarHBondContact ND1-O 2.99Å |
| 295 | D | 97.9 | Very high | 97.2 | Very high | 82 Ų | 82 | 59.4 Ų | 59.4 | 44% | 0.439 | 27% | 0.274 | S | S | . | . | trans | -73.1 | 114.4 | 178.4 | -86.9 | 25.7 | 0 | 0 | 0 | 112.1 | M307 K308 K309 | D295-M307 CarbonylContact C-O 3.37Å; D295-M307 WeakPolarHBondContact CA-O 3.49Å; D295-K308 WeakPolarHBondContact OD1-CA 3.25Å; D295-K308 VanDerWaalsContact OD1-CB 3.31Å; D295-K308 WeakPolarHBondContact OD1-CB 3.1Å; D295-K308 WeakPolarHBondContact OD2-CD 3.22Å; D295-K308 WeakPolarHBondContact OD2-CE 3.31Å; D295-K308 WeakPolarHBondContact OD2-CG 3.34Å; D295-K308 IonicContact OD2-NZ 3.27Å; D295-K309 PolarHBondContact OD1-N 3.15Å | ||
| 296 | I | 97.7 | Very high | 97.2 | Very high | 15 Ų | 15 | 58.6 Ų | 58.6 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 115.7 | -175.3 | -58.8 | 167.9 | 0 | 0 | 0 | 110.4 | I292 H294 L298 M307 L355 Q358 | I292-I296 HydrophobicContact CD1-CD1 4.15Å; I292-I296 HydrophobicContact CD1-CG1 4.34Å; H294-I296 PolarHBondContact O-N 2.8Å; I296-L298 HydrophobicContact CG2-CD2 4.1Å; I296-M307 HydrophobicContact CB-CB 4.45Å; I296-M307 HydrophobicContact CB-CE 3.76Å; I296-M307 HydrophobicContact CD1-CE 3.96Å; I296-M307 HydrophobicContact CG1-CE 4.46Å; I296-M307 HydrophobicContact CG2-CE 3.72Å; I296-M307 PolarHBondContact N-O 3.08Å; I296-M307 PolarHBondContact O-N 3.48Å; I296-L355 HydrophobicContact CD1-CD2 4.24Å; I296-Q358 HydrophobicContact CD1-CB 4.1Å |
| 297 | S | 96.6 | Very high | 97.2 | Very high | 87 Ų | 87 | 55.9 Ų | 55.9 | 61% | 0.608 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113 | 113.2 | 175.9 | -168.3 | 0 | 0 | 0 | 0 | 110.7 | R306 | S297-R306 PolarHBondContact OG-NE 3.44Å |
| 298 | L | 96.1 | Very high | 97.3 | Very high | 26 Ų | 26 | 57 Ų | 57 | 14% | 0.136 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 152.8 | -175.3 | 74.6 | 92.6 | 0 | 0 | 0 | 113.8 | I296 F300 Q304 I305 M307 G350 | I296-L298 HydrophobicContact CG2-CD2 4.1Å; L298-F300 HydrophobicContact CD1-CB 4.06Å; L298-Q304 WeakPolarHBondContact O-CA 3.49Å; L298-I305 HydrophobicContact CD1-CB 4.17Å; L298-I305 HydrophobicContact CD1-CD1 4.2Å; L298-I305 HydrophobicContact CD1-CG1 4.14Å; L298-I305 HydrophobicContact CD2-CB 4.44Å; L298-I305 HydrophobicContact CG-CB 4.05Å; L298-I305 PolarHBondContact N-O 2.78Å; L298-I305 PolarHBondContact O-N 3.42Å; L298-M307 HydrophobicContact CD2-CE 4.32Å; L298-G350 WeakPolarHBondContact CD2-O 3.32Å |
| 299 | R | 97.2 | Very high | 97.4 | Very high | 194 Ų | 194 | 55.9 Ų | 55.9 | 73% | 0.732 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 97.7 | 173.3 | -176.3 | 178.7 | 67.9 | 176.4 | -0.3 | 111.1 | K301 T303 Q304 | R299-K301 WeakPolarHBondContact CG-O 3.46Å; R299-K301 PolarHBondContact O-N 2.89Å; R299-T303 CarbonylContact C-O 3.56Å; R299-T303 WeakPolarHBondContact CA-O 3.32Å; R299-Q304 HydrophobicContact CB-CG 4.31Å; R299-Q304 HydrophobicContact CG-CG 4.06Å |
| 300 | F | 97 | Very high | 97.5 | Very high | 45 Ų | 45 | 56.6 Ų | 56.6 | 20% | 0.197 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 101 | 173.6 | -165.3 | -94.2 | 0 | 0 | 0 | 110.6 | L298 R302 T303 N346 R349 | L298-F300 HydrophobicContact CD1-CB 4.06Å; F300-R302 PolarHBondContact O-N 2.95Å; F300-T303 PolarHBondContact N-O 3.37Å; F300-T303 WeakPolarHBondContact O-CB 3.47Å; F300-T303 PolarHBondContact O-N 3.22Å; F300-N346 HydrophobicContact CD1-CB 4.03Å; F300-N346 WeakPolarHBondContact CD1-O 3.45Å; F300-N346 HydrophobicContact CE1-CB 4.48Å; F300-R349 HydrophobicContact CD1-CB 4.11Å; F300-R349 HydrophobicContact CE1-CB 3.57Å; F300-R349 HydrophobicContact CE1-CG 4.43Å; F300-R349 HydrophobicContact CE2-CB 4.2Å; F300-R349 HydrophobicContact CZ-CB 3.63Å; F300-R349 HydrophobicContact CZ-CG 4.41Å |
| 301 | K | 96.8 | Very high | 97.5 | Very high | 142 Ų | 142 | 60.5 Ų | 60.5 | 62% | 0.617 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | -120.4 | -171.9 | -53.4 | -172.6 | 176 | -163.5 | 0 | 111.2 | R299 | R299-K301 WeakPolarHBondContact CG-O 3.46Å; R299-K301 PolarHBondContact O-N 2.89Å |
| 302 | R | 97.4 | Very high | 97.4 | Very high | 216 Ų | 216 | 68.5 Ų | 68.5 | 82% | 0.815 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 11.5 | 174.8 | -62.8 | -172.6 | -178.1 | -178.3 | 0.2 | 113.2 | F300 S341 | F300-R302 PolarHBondContact O-N 2.95Å; R302-S341 VanDerWaalsContact O-CB 3.31Å; R302-S341 WeakPolarHBondContact O-CB 3.42Å; R302-S341 PolarHBondContact O-N 2.95Å |
| 303 | T | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 116.8 | 178.2 | -56 | 0 | 0 | 0 | 0 | 108.9 | R299 F300 I305 V338 S341 N346 L347 | R299-T303 CarbonylContact C-O 3.56Å; R299-T303 WeakPolarHBondContact CA-O 3.32Å; F300-T303 PolarHBondContact N-O 3.37Å; F300-T303 WeakPolarHBondContact O-CB 3.47Å; F300-T303 PolarHBondContact O-N 3.22Å; T303-I305 HydrophobicContact CG2-CG1 4.19Å; T303-V338 HydrophobicContact CG2-CG1 4.05Å; T303-S341 WeakPolarHBondContact CB-O 3.18Å; T303-S341 WeakPolarHBondContact CG2-O 3.38Å; T303-S341 PolarHBondContact OG1-O 3.3Å; T303-N346 WeakPolarHBondContact OG1-CB 3.34Å; T303-L347 HydrophobicContact CG2-CB 4.42Å |
| 304 | Q | 97.4 | Very high | 97.3 | Very high | 85 Ų | 85 | 73.1 Ų | 73.1 | 40% | 0.397 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 138.8 | 171.4 | -72.8 | 165.9 | -37.1 | 0 | 0 | 109 | L298 R299 V338 T339 | L298-Q304 WeakPolarHBondContact O-CA 3.49Å; R299-Q304 HydrophobicContact CB-CG 4.31Å; R299-Q304 HydrophobicContact CG-CG 4.06Å; Q304-V338 WeakPolarHBondContact O-CA 3.5Å; Q304-V338 WeakPolarHBondContact O-CG1 3.36Å; Q304-T339 VanDerWaalsContact CB-OG1 3.22Å; Q304-T339 WeakPolarHBondContact CB-OG1 3.21Å; Q304-T339 PolarHBondContact N-O 2.97Å; Q304-T339 PolarHBondContact O-N 3.49Å; Q304-T339 PolarHBondContact OE1-OG1 3.23Å |
| 305 | I | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 124 | 173.8 | -46 | -179.5 | 0 | 0 | 0 | 106.9 | L298 T303 M307 I322 V338 L347 L351 | L298-I305 HydrophobicContact CD1-CB 4.17Å; L298-I305 HydrophobicContact CD1-CD1 4.2Å; L298-I305 HydrophobicContact CD1-CG1 4.14Å; L298-I305 HydrophobicContact CD2-CB 4.44Å; L298-I305 HydrophobicContact CG-CB 4.05Å; L298-I305 PolarHBondContact N-O 2.78Å; L298-I305 PolarHBondContact O-N 3.42Å; T303-I305 HydrophobicContact CG2-CG1 4.19Å; I305-M307 HydrophobicContact CG2-CG 3.71Å; I305-M307 HydrophobicContact CG2-SD 4.03Å; I305-I322 HydrophobicContact CG2-CD1 4.43Å; I305-V338 HydrophobicContact CG2-CG2 4.38Å; I305-L347 WeakPolarHBondContact CD1-O 3.48Å; I305-L351 HydrophobicContact CD1-CB 4.43Å |
| 306 | R | 97.3 | Very high | 97.2 | Very high | 42 Ų | 42 | 66.6 Ų | 66.6 | 16% | 0.158 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 116 | 173.7 | -58.8 | -168.5 | 66.6 | -118.9 | -14.7 | 107.7 | S297 A336 R337 D409 D412 | S297-R306 PolarHBondContact OG-NE 3.44Å; R306-A336 CarbonylContact O-C 3.5Å; R306-A336 WeakPolarHBondContact O-CA 3.23Å; R306-R337 PolarHBondContact N-O 2.84Å; R306-R337 PolarHBondContact O-N 3.43Å; R306-D409 VanDerWaalsContact CZ-CB 3.41Å; R306-D409 VanDerWaalsContact CZ-CG 3.49Å; R306-D409 IonicContact CZ-OD1 3.6Å; R306-D409 IonicContact CZ-OD2 2.79Å; R306-D409 IonicContact NE-OD1 2.78Å; R306-D409 IonicContact NH1-OD1 3.21Å; R306-D409 IonicContact NH1-OD2 2.82Å; R306-D409 PolarHBondContact NH1-OD2 2.86Å; R306-D412 IonicContact CZ-OD2 3.48Å; R306-D412 VanDerWaalsContact CZ-OD2 3.23Å; R306-D412 VanDerWaalsContact NH1-CG 3.35Å; R306-D412 IonicContact NH1-OD1 3.9Å; R306-D412 IonicContact NH1-OD2 3.51Å; R306-D412 PolarHBondContact NH1-OD2 2.91Å; R306-D412 IonicContact NH2-OD2 2.67Å; R306-D412 PolarHBondContact NH2-OD2 2.8Å |
| 307 | M | 98.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 72.1 Ų | 72.1 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 144.1 | -175.5 | -51.5 | -173.9 | -66.8 | 0 | 0 | 108.8 | I292 D295 I296 L298 I305 M334 Y335 A336 L351 L355 | I292-M307 HydrophobicContact CD1-CB 4Å; D295-M307 CarbonylContact C-O 3.37Å; D295-M307 WeakPolarHBondContact CA-O 3.49Å; I296-M307 HydrophobicContact CB-CB 4.45Å; I296-M307 HydrophobicContact CB-CE 3.76Å; I296-M307 HydrophobicContact CD1-CE 3.96Å; I296-M307 HydrophobicContact CG1-CE 4.46Å; I296-M307 HydrophobicContact CG2-CE 3.72Å; I296-M307 PolarHBondContact N-O 3.08Å; I296-M307 PolarHBondContact O-N 3.48Å; L298-M307 HydrophobicContact CD2-CE 4.32Å; I305-M307 HydrophobicContact CG2-CG 3.71Å; I305-M307 HydrophobicContact CG2-SD 4.03Å; M307-M334 HydrophobicContact CB-SD 4.24Å; M307-M334 HydrophobicContact SD-CE 4.29Å; M307-M334 HydrophobicContact SD-SD 4.32Å; M307-Y335 CarbonylContact C-O 3.56Å; M307-Y335 WeakPolarHBondContact CA-O 3.49Å; M307-A336 HydrophobicContact CB-CB 4.42Å; M307-A336 HydrophobicContact CG-CB 3.93Å; M307-L351 HydrophobicContact CE-CD1 4.29Å; M307-L351 HydrophobicContact SD-CD1 3.38Å; M307-L351 WeakPolarHBondContact SD-CD1 3.32Å; M307-L355 HydrophobicContact CE-CD2 3.87Å; M307-L355 HydrophobicContact CE-CG 4.15Å; M307-L355 HydrophobicContact SD-CD2 4.44Å |
| 308 | K | 97.9 | Very high | 97.2 | Very high | 43 Ų | 43 | 68.9 Ų | 68.9 | 19% | 0.187 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 139.1 | 179.9 | -56 | -158.1 | 168.8 | -156.7 | 0 | 112.6 | D295 Y335 D412 | D295-K308 WeakPolarHBondContact OD1-CA 3.25Å; D295-K308 VanDerWaalsContact OD1-CB 3.31Å; D295-K308 WeakPolarHBondContact OD1-CB 3.1Å; D295-K308 WeakPolarHBondContact OD2-CD 3.22Å; D295-K308 WeakPolarHBondContact OD2-CE 3.31Å; D295-K308 WeakPolarHBondContact OD2-CG 3.34Å; D295-K308 IonicContact OD2-NZ 3.27Å; K308-Y335 HydrophobicContact CB-CD1 4.41Å; K308-Y335 HydrophobicContact CD-CD1 4.35Å; K308-Y335 HydrophobicContact CG-CD1 4.02Å; K308-Y335 PolarHBondContact N-O 3.06Å; K308-Y335 PolarHBondContact O-N 2.9Å; K308-D412 VanDerWaalsContact CE-OD2 3.29Å; K308-D412 WeakPolarHBondContact CE-OD2 3.47Å; K308-D412 IonicContact NZ-OD1 3.63Å; K308-D412 PolarHBondContact NZ-OD1 3.09Å; K308-D412 IonicContact NZ-OD2 2.67Å; K308-D412 PolarHBondContact NZ-OD2 3.29Å |
| 309 | K | 98.1 | Very high | 97.3 | Very high | 51 Ų | 51 | 69.7 Ų | 69.7 | 22% | 0.222 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 137.6 | 165 | 173.3 | 174.8 | 172 | -176.3 | 0 | 107.4 | T291 I292 F293 D295 E374 | T291-K309 HydrophobicContact CG2-CG 3.95Å; I292-K309 HydrophobicContact CG1-CB 4.23Å; I292-K309 WeakPolarHBondContact O-CG 3.41Å; F293-K309 WeakPolarHBondContact O-CD 3.32Å; D295-K309 PolarHBondContact OD1-N 3.15Å; K309-E374 IonicContact NZ-OE1 2.75Å; K309-E374 PolarHBondContact NZ-OE1 3.17Å |
| 310 | Q | 97.7 | Very high | 97.3 | Very high | 43 Ų | 43 | 66.4 Ų | 66.4 | 20% | 0.201 | 31% | 0.309 | C | S | . | . | trans | -138 | 151.1 | 178.5 | -66.1 | -69.9 | -89.6 | 0 | 0 | 109.5 | T291 Y314 | T291-Q310 PolarHBondContact OG1-N 3.15Å; Q310-Y314 HydrophobicContact CB-CD1 3.83Å; Q310-Y314 HydrophobicContact CB-CE1 4.45Å; Q310-Y314 HydrophobicContact CB-CG 3.86Å; Q310-Y314 HydrophobicContact CG-CD1 3.68Å; Q310-Y314 HydrophobicContact CG-CD2 4.49Å; Q310-Y314 HydrophobicContact CG-CE1 3.79Å; Q310-Y314 HydrophobicContact CG-CG 4.04Å; Q310-Y314 PolarHBondContact OE1-OH 2.94Å | ||
| 311 | P | 97.1 | Very high | 97.4 | Very high | 93 Ų | 93 | 64.2 Ų | 64.2 | 60% | 0.604 | 30% | 0.3 | S | S | * | . | trans | -69 | 164.9 | 176.7 | 30.4 | -36 | 0 | 0 | 0 | 111.8 | Y314 | P311-Y314 WeakPolarHBondContact O-CB 3.35Å; P311-Y314 PolarHBondContact O-N 2.97Å | ||
| 312 | R | 96.5 | Very high | 97.4 | Very high | 167 Ų | 167 | 57.5 Ų | 57.5 | 63% | 0.63 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 137 | 179.7 | -60.9 | -179.9 | -173.4 | -167.7 | 5.8 | 111.1 | E288 H290 | E288-R312 IonicContact OE1-NH2 2.67Å; E288-R312 PolarHBondContact OE1-NH2 3.22Å; E288-R312 IonicContact OE2-CZ 3Å; E288-R312 VanDerWaalsContact OE2-CZ 3.26Å; E288-R312 IonicContact OE2-NE 2.7Å; E288-R312 PolarHBondContact OE2-NE 3.32Å; E288-R312 IonicContact OE2-NH2 3.66Å; E288-R312 PolarHBondContact OE2-NH2 3.4Å; H290-R312 WeakPolarHBondContact NE2-CG 3.39Å |
| 313 | G | 95.5 | Very high | 97.5 | Very high | 75 Ų | 75 | 48.4 Ų | 48.4 | 77% | 0.773 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | 2.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | D333 | G313-D333 WeakPolarHBondContact CA-OD1 3.38Å; G313-D333 PolarHBondContact N-OD1 2.95Å; G313-D333 PolarHBondContact N-OD2 2.78Å |
| 314 | Y | 96.7 | Very high | 97.5 | Very high | 54 Ų | 54 | 49 Ų | 49 | 21% | 0.212 | 24% | 0.241 | C | C | . | . | trans | -73.3 | -32 | 172.7 | -177.1 | -93.5 | 0 | 0 | 0 | 113.2 | Q310 P311 R317 D333 | Q310-Y314 HydrophobicContact CB-CD1 3.83Å; Q310-Y314 HydrophobicContact CB-CE1 4.45Å; Q310-Y314 HydrophobicContact CB-CG 3.86Å; Q310-Y314 HydrophobicContact CG-CD1 3.68Å; Q310-Y314 HydrophobicContact CG-CD2 4.49Å; Q310-Y314 HydrophobicContact CG-CE1 3.79Å; Q310-Y314 HydrophobicContact CG-CG 4.04Å; Q310-Y314 PolarHBondContact OE1-OH 2.94Å; P311-Y314 WeakPolarHBondContact O-CB 3.35Å; P311-Y314 PolarHBondContact O-N 2.97Å; Y314-R317 HydrophobicContact CD1-CG 4.06Å; Y314-R317 HydrophobicContact CE1-CB 3.75Å; Y314-R317 VanDerWaalsContact CE1-CD 3.5Å; Y314-R317 HydrophobicContact CE1-CG 3.5Å; Y314-R317 VanDerWaalsContact CZ-CD 3.47Å; Y314-R317 PolarHBondContact O-NE 3.5Å; Y314-R317 PolarHBondContact O-NH2 3.24Å; Y314-D333 PolarHBondContact N-OD1 2.83Å | ||
| 315 | G | 97.2 | Very high | 97.5 | Very high | 16 Ų | 16 | 45 Ų | 45 | 17% | 0.165 | 22% | 0.223 | C | C | . | . | trans | 78.8 | -173.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R317 K332 D333 M334 | G315-R317 PolarHBondContact O-N 3.13Å; G315-K332 CarbonylContact C-O 3.53Å; G315-D333 PolarHBondContact N-OD1 2.65Å; G315-M334 PolarHBondContact O-N 3.18Å | ||
| 316 | L | 98 | Very high | 97.6 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 76.3 | -178.3 | -64 | 176.9 | 0 | 0 | 0 | 111.9 | C318 I323 C326 R327 I331 K332 M334 T432 | L316-C318 PolarHBondContact O-N 3.12Å; L316-I323 HydrophobicContact CB-CB 4.47Å; L316-I323 HydrophobicContact CB-CG1 4.08Å; L316-I323 HydrophobicContact CB-CG2 4.1Å; L316-I323 HydrophobicContact CD1-CG2 3.89Å; L316-I323 VanDerWaalsContact O-CD1 3.31Å; L316-I323 WeakPolarHBondContact O-CD1 3.26Å; L316-I323 WeakPolarHBondContact O-CG1 3.39Å; L316-C326 HydrophobicContact CD1-CB 3.84Å; L316-C326 HydrophobicContact CD2-CB 3.82Å; L316-C326 HydrophobicContact CG-CB 4.49Å; L316-R327 HydrophobicContact CD1-CG 3.97Å; L316-I331 HydrophobicContact CD2-CG2 4.19Å; L316-K332 WeakPolarHBondContact CD2-O 3.32Å; L316-K332 VanDerWaalsContact CG-O 3.32Å; L316-K332 WeakPolarHBondContact CG-O 3.43Å; L316-M334 HydrophobicContact CD2-CB 4.23Å; L316-T432 PolarHBondContact N-OG1 2.77Å |
| 317 | R | 97.2 | Very high | 97.6 | Very high | 130 Ų | 130 | 49.7 Ų | 49.7 | 49% | 0.491 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 63.4 | 177.2 | -52 | -165.4 | -163.1 | -176.2 | -0.6 | 111.5 | Y314 G315 M334 Y335 A336 | Y314-R317 HydrophobicContact CD1-CG 4.06Å; Y314-R317 HydrophobicContact CE1-CB 3.75Å; Y314-R317 VanDerWaalsContact CE1-CD 3.5Å; Y314-R317 HydrophobicContact CE1-CG 3.5Å; Y314-R317 VanDerWaalsContact CZ-CD 3.47Å; Y314-R317 PolarHBondContact O-NE 3.5Å; Y314-R317 PolarHBondContact O-NH2 3.24Å; G315-R317 PolarHBondContact O-N 3.13Å; R317-M334 PolarHBondContact N-O 2.75Å; R317-Y335 HydrophobicContact CB-CD2 4.22Å; R317-A336 PolarHBondContact O-N 3.02Å |
| 318 | C | 96.8 | Very high | 97.6 | Very high | 20 Ų | 20 | 50 Ų | 50 | 14% | 0.135 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -126 | 172.5 | -169.8 | -63.9 | 0 | 0 | 0 | 0 | 112.4 | L316 I322 I323 M334 A336 | L316-C318 PolarHBondContact O-N 3.12Å; C318-I322 HydrophobicContact CB-CB 3.93Å; C318-I322 HydrophobicContact CB-CG2 3.85Å; C318-I323 HydrophobicContact CB-CG1 3.86Å; C318-I323 WeakPolarHBondContact O-CD1 3.44Å; C318-M334 PolarHBondContact SG-O 3.38Å; C318-A336 HydrophobicContact CB-CB 4.07Å; C318-A336 WeakPolarHBondContact SG-CB 3.41Å; C318-A336 PolarHBondContact SG-N 3.2Å; C318-A336 VanDerWaalsContact SG-N 3.42Å |
| 319 | H | 97.5 | Very high | 97.6 | Very high | 43 Ų | 43 | 47.9 Ų | 47.9 | 20% | 0.199 | 23% | 0.233 | C | C | . | . | trans | -62.3 | 138.6 | 165.8 | 173.2 | -109.6 | 0 | 0 | 0 | 110.5 | A321 I322 I323 V338 L347 | H319-A321 PolarHBondContact O-N 2.87Å; H319-I322 HydrophobicContact CB-CD1 4.16Å; H319-I322 HydrophobicContact CB-CG1 4.23Å; H319-I322 WeakPolarHBondContact O-CA 3.15Å; H319-I322 VanDerWaalsContact O-CB 3.3Å; H319-I322 WeakPolarHBondContact O-CB 3.49Å; H319-I322 PolarHBondContact O-N 2.9Å; H319-I323 PolarHBondContact O-N 3.19Å; H319-V338 HydrophobicContact CB-CG2 4.34Å; H319-L347 WeakPolarHBondContact ND1-CD1 3.44Å | ||
| 320 | R | 97.6 | Very high | 97.5 | Very high | 124 Ų | 124 | 46 Ų | 46 | 47% | 0.468 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -48.2 | -31.9 | -173.8 | 63.7 | -175 | 173.5 | 175.1 | -3.6 | 116.6 | W195 T324 | W195-R320 HydrophobicContact CD2-CB 4.44Å; W195-R320 HydrophobicContact CD2-CG 3.92Å; W195-R320 HydrophobicContact CE3-CG 4.14Å; W195-R320 HydrophobicContact CG-CB 4.46Å; W195-R320 HydrophobicContact CG-CG 4.3Å; W195-R320 HydrophobicContact CZ2-CG 4.46Å; R320-T324 PolarHBondContact O-N 2.89Å; R320-T324 VanDerWaalsContact O-N 3.12Å; R320-T324 PolarHBondContact O-OG1 2.95Å |
| 321 | A | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75.8 | -35 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | W195 L225 H319 T324 I325 M344 | W195-A321 HydrophobicContact CH2-CB 3.84Å; W195-A321 HydrophobicContact CZ2-CB 3.95Å; L225-A321 HydrophobicContact CD2-CB 4.44Å; H319-A321 PolarHBondContact O-N 2.87Å; A321-T324 PolarHBondContact O-N 2.91Å; A321-I325 WeakPolarHBondContact O-CD1 3.49Å; A321-I325 VanDerWaalsContact O-CG1 3.31Å; A321-I325 WeakPolarHBondContact O-CG1 3.12Å; A321-I325 PolarHBondContact O-N 3.11Å; A321-M344 HydrophobicContact CB-CE 3.96Å; A321-M344 HydrophobicContact CB-SD 3.3Å; A321-M344 WeakPolarHBondContact CB-SD 3.33Å |
| 322 | I | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.7 | -46.6 | 171 | -56.3 | -179.9 | 0 | 0 | 0 | 108.9 | I305 C318 H319 T324 I325 C326 M334 A336 V338 L347 L351 | I305-I322 HydrophobicContact CG2-CD1 4.43Å; C318-I322 HydrophobicContact CB-CB 3.93Å; C318-I322 HydrophobicContact CB-CG2 3.85Å; H319-I322 HydrophobicContact CB-CD1 4.16Å; H319-I322 HydrophobicContact CB-CG1 4.23Å; H319-I322 WeakPolarHBondContact O-CA 3.15Å; H319-I322 VanDerWaalsContact O-CB 3.3Å; H319-I322 WeakPolarHBondContact O-CB 3.49Å; H319-I322 PolarHBondContact O-N 2.9Å; I322-T324 PolarHBondContact O-N 2.84Å; I322-I325 CarbonylContact O-C 3.29Å; I322-I325 PolarHBondContact O-N 3.27Å; I322-C326 WeakPolarHBondContact O-CB 3.36Å; I322-C326 PolarHBondContact O-N 2.88Å; I322-C326 PolarHBondContact O-SG 3.36Å; I322-C326 VanDerWaalsContact O-SG 3.33Å; I322-M334 HydrophobicContact CG2-CE 3.7Å; I322-A336 HydrophobicContact CD1-CB 4.05Å; I322-A336 HydrophobicContact CG2-CB 4.5Å; I322-V338 HydrophobicContact CD1-CG2 3.74Å; I322-L347 HydrophobicContact CD1-CD2 4.41Å; I322-L347 HydrophobicContact CG1-CD2 3.8Å; I322-L351 HydrophobicContact CB-CD2 4.42Å; I322-L351 HydrophobicContact CG1-CD2 4.27Å; I322-L351 HydrophobicContact CG2-CD1 4.1Å; I322-L351 HydrophobicContact CG2-CD2 4.09Å |
| 323 | I | 98.2 | Very high | 97.7 | Very high | 25 Ų | 25 | 38.8 Ų | 38.8 | 13% | 0.128 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -52.4 | -44.7 | 173.8 | -56 | 179.8 | 0 | 0 | 0 | 111 | L316 C318 H319 I325 R327 T432 | L316-I323 HydrophobicContact CB-CB 4.47Å; L316-I323 HydrophobicContact CB-CG1 4.08Å; L316-I323 HydrophobicContact CB-CG2 4.1Å; L316-I323 HydrophobicContact CD1-CG2 3.89Å; L316-I323 VanDerWaalsContact O-CD1 3.31Å; L316-I323 WeakPolarHBondContact O-CD1 3.26Å; L316-I323 WeakPolarHBondContact O-CG1 3.39Å; C318-I323 HydrophobicContact CB-CG1 3.86Å; C318-I323 WeakPolarHBondContact O-CD1 3.44Å; H319-I323 PolarHBondContact O-N 3.19Å; I323-I325 VanDerWaalsContact C-N 3.34Å; I323-I325 PolarHBondContact O-N 2.86Å; I323-R327 WeakPolarHBondContact O-CG 3.43Å; I323-R327 PolarHBondContact O-N 3Å; I323-R327 VanDerWaalsContact O-N 3.16Å; I323-T432 HydrophobicContact CD1-CG2 4.17Å |
| 324 | T | 98.2 | Very high | 97.8 | Very high | 12 Ų | 12 | 35.2 Ų | 35.2 | 7% | 0.074 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.2 | -36.2 | 179.1 | -52.4 | 0 | 0 | 0 | 0 | 112.3 | W195 R223 L225 R320 A321 I322 L328 | W195-T324 PolarHBondContact NE1-OG1 3.13Å; R223-T324 HydrophobicContact CB-CG2 3.49Å; R223-T324 VanDerWaalsContact CB-CG2 3.49Å; R223-T324 HydrophobicContact CG-CG2 3.93Å; L225-T324 HydrophobicContact CD2-CG2 4.09Å; R320-T324 PolarHBondContact O-N 2.89Å; R320-T324 VanDerWaalsContact O-N 3.12Å; R320-T324 PolarHBondContact O-OG1 2.95Å; A321-T324 PolarHBondContact O-N 2.91Å; I322-T324 PolarHBondContact O-N 2.84Å; T324-L328 WeakPolarHBondContact O-CG 3.38Å |
| 325 | I | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -79.3 | -41.5 | 178.5 | -64.3 | 161.6 | 0 | 0 | 0 | 111.4 | L225 A248 A321 I322 I323 R327 L328 I329 T348 L351 F352 | L225-I325 HydrophobicContact CD1-CD1 3.81Å; L225-I325 HydrophobicContact CD1-CG1 4.08Å; L225-I325 HydrophobicContact CD2-CD1 4.4Å; L225-I325 HydrophobicContact CD2-CG1 4.13Å; A248-I325 HydrophobicContact CB-CG1 4.22Å; A321-I325 WeakPolarHBondContact O-CD1 3.49Å; A321-I325 VanDerWaalsContact O-CG1 3.31Å; A321-I325 WeakPolarHBondContact O-CG1 3.12Å; A321-I325 PolarHBondContact O-N 3.11Å; I322-I325 CarbonylContact O-C 3.29Å; I322-I325 PolarHBondContact O-N 3.27Å; I323-I325 VanDerWaalsContact C-N 3.34Å; I323-I325 PolarHBondContact O-N 2.86Å; I325-R327 VanDerWaalsContact C-N 3.3Å; I325-R327 PolarHBondContact O-N 2.86Å; I325-L328 WeakPolarHBondContact O-CA 3.25Å; I325-L328 WeakPolarHBondContact O-CB 3.33Å; I325-L328 PolarHBondContact O-N 3.16Å; I325-I329 HydrophobicContact CG2-CD1 3.79Å; I325-I329 HydrophobicContact CG2-CG1 4.32Å; I325-I329 WeakPolarHBondContact O-CG1 3.14Å; I325-I329 PolarHBondContact O-N 3.42Å; I325-T348 HydrophobicContact CD1-CG2 4.02Å; I325-L351 HydrophobicContact CB-CD2 3.92Å; I325-L351 HydrophobicContact CD1-CD2 3.66Å; I325-L351 HydrophobicContact CG1-CD2 4.41Å; I325-L351 HydrophobicContact CG2-CD2 3.75Å; I325-F352 HydrophobicContact CG2-CE2 3.82Å; I325-F352 HydrophobicContact CG2-CZ 3.87Å |
| 326 | C | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.4 | -41.2 | 177.4 | -71.2 | 0 | 0 | 0 | 0 | 111.9 | L316 I322 L328 I329 G330 I331 M334 | L316-C326 HydrophobicContact CD1-CB 3.84Å; L316-C326 HydrophobicContact CD2-CB 3.82Å; L316-C326 HydrophobicContact CG-CB 4.49Å; I322-C326 WeakPolarHBondContact O-CB 3.36Å; I322-C326 PolarHBondContact O-N 2.88Å; I322-C326 PolarHBondContact O-SG 3.36Å; I322-C326 VanDerWaalsContact O-SG 3.33Å; C326-L328 VanDerWaalsContact C-N 3.32Å; C326-L328 PolarHBondContact O-N 3.28Å; C326-I329 PolarHBondContact O-N 3.1Å; C326-G330 PolarHBondContact O-N 3.34Å; C326-I331 CarbonylContact C-O 3.57Å; C326-I331 HydrophobicContact CB-CB 4Å; C326-I331 HydrophobicContact CB-CG2 4.34Å; C326-I331 PolarHBondContact O-N 3.06Å; C326-M334 WeakPolarHBondContact SG-CE 3.24Å |
| 327 | R | 97.8 | Very high | 97.8 | Very high | 142 Ų | 142 | 38.6 Ų | 38.6 | 54% | 0.536 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.7 | -34.9 | 172.4 | -70 | 177 | -176.9 | 176.1 | -2.5 | 113.4 | L316 I323 I325 G330 T432 | L316-R327 HydrophobicContact CD1-CG 3.97Å; I323-R327 WeakPolarHBondContact O-CG 3.43Å; I323-R327 PolarHBondContact O-N 3Å; I323-R327 VanDerWaalsContact O-N 3.16Å; I325-R327 VanDerWaalsContact C-N 3.3Å; I325-R327 PolarHBondContact O-N 2.86Å; R327-G330 PolarHBondContact O-N 3.49Å; R327-T432 PolarHBondContact NE-OXT 2.85Å; R327-T432 PolarHBondContact NH2-OXT 3.14Å |
| 328 | L | 98 | Very high | 97.8 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -73.9 | -29.8 | 175.3 | -69 | 177.3 | 0 | 0 | 0 | 113 | D221 R223 A248 G250 N251 G252 T324 I325 C326 | D221-L328 HydrophobicContact CB-CD2 3.74Å; D221-L328 WeakPolarHBondContact O-CD2 3.38Å; R223-L328 HydrophobicContact CB-CD1 4.07Å; R223-L328 HydrophobicContact CG-CD1 4.22Å; R223-L328 HydrophobicContact CG-CD2 4.14Å; R223-L328 HydrophobicContact CG-CG 4.36Å; A248-L328 HydrophobicContact CB-CD1 3.81Å; G250-L328 CarbonylContact C-O 3.6Å; G250-L328 VanDerWaalsContact C-O 3.29Å; G250-L328 WeakPolarHBondContact CA-O 3.38Å; N251-L328 PolarHBondContact N-O 3.48Å; G252-L328 WeakPolarHBondContact CA-O 3.33Å; G252-L328 PolarHBondContact N-O 2.66Å; T324-L328 WeakPolarHBondContact O-CG 3.38Å; I325-L328 WeakPolarHBondContact O-CA 3.25Å; I325-L328 WeakPolarHBondContact O-CB 3.33Å; I325-L328 PolarHBondContact O-N 3.16Å; C326-L328 VanDerWaalsContact C-N 3.32Å; C326-L328 PolarHBondContact O-N 3.28Å |
| 329 | I | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -77 | -32.6 | 172.1 | -63.2 | 165.2 | 0 | 0 | 0 | 110.9 | G252 N253 G254 A256 I284 I325 C326 I331 L355 | G252-I329 CarbonylContact C-O 3.59Å; G252-I329 VanDerWaalsContact C-O 3.23Å; N253-I329 PolarHBondContact N-O 3.33Å; G254-I329 WeakPolarHBondContact CA-O 3.33Å; G254-I329 PolarHBondContact N-O 2.9Å; A256-I329 HydrophobicContact CB-CG1 3.57Å; I284-I329 HydrophobicContact CB-CG2 3.79Å; I284-I329 HydrophobicContact CG1-CD1 4.24Å; I284-I329 HydrophobicContact CG1-CG1 4.45Å; I284-I329 HydrophobicContact CG1-CG2 4.38Å; I284-I329 HydrophobicContact CG2-CG2 3.89Å; I325-I329 HydrophobicContact CG2-CD1 3.79Å; I325-I329 HydrophobicContact CG2-CG1 4.32Å; I325-I329 WeakPolarHBondContact O-CG1 3.14Å; I325-I329 PolarHBondContact O-N 3.42Å; C326-I329 PolarHBondContact O-N 3.1Å; I329-I331 HydrophobicContact CB-CD1 4.43Å; I329-I331 HydrophobicContact CB-CG1 4.4Å; I329-I331 HydrophobicContact CD1-CD1 4.31Å; I329-I331 HydrophobicContact CG2-CD1 3.93Å; I329-I331 HydrophobicContact CG2-CG1 3.89Å; I329-L355 HydrophobicContact CD1-CD1 3.72Å |
| 330 | G | 97.5 | Very high | 97.8 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 11% | 0.113 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 27.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G252 R286 C326 R327 | G252-G330 WeakPolarHBondContact O-CA 3.43Å; R286-G330 WeakPolarHBondContact CD-O 3.31Å; R286-G330 PolarHBondContact NH1-O 3Å; C326-G330 PolarHBondContact O-N 3.34Å; R327-G330 PolarHBondContact O-N 3.49Å |
| 331 | I | 98.2 | Very high | 97.7 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | trans | -84.8 | 127.8 | 165.3 | -65.9 | 167.9 | 0 | 0 | 0 | 107.6 | I284 R286 H290 I292 L316 C326 I329 M334 L355 | I284-I331 HydrophobicContact CG2-CD1 4.44Å; R286-I331 HydrophobicContact CG-CG1 4.15Å; H290-I331 CarbonylContact O-C 3.23Å; I292-I331 HydrophobicContact CG2-CD1 4.19Å; L316-I331 HydrophobicContact CD2-CG2 4.19Å; C326-I331 CarbonylContact C-O 3.57Å; C326-I331 HydrophobicContact CB-CB 4Å; C326-I331 HydrophobicContact CB-CG2 4.34Å; C326-I331 PolarHBondContact O-N 3.06Å; I329-I331 HydrophobicContact CB-CD1 4.43Å; I329-I331 HydrophobicContact CB-CG1 4.4Å; I329-I331 HydrophobicContact CD1-CD1 4.31Å; I329-I331 HydrophobicContact CG2-CD1 3.93Å; I329-I331 HydrophobicContact CG2-CG1 3.89Å; I331-M334 HydrophobicContact CG2-CB 4.08Å; I331-L355 HydrophobicContact CD1-CD1 4.27Å; I331-L355 HydrophobicContact CD1-CD2 4.35Å | ||
| 332 | K | 97.9 | Very high | 97.6 | Very high | 135 Ų | 135 | 37.3 Ų | 37.3 | 59% | 0.587 | 19% | 0.194 | S | C | * | . | trans | -105.9 | -38.4 | -175.2 | -55.9 | 177.7 | -175.1 | 174.2 | 0 | 112.4 | H290 G315 L316 | H290-K332 HydrophobicContact CB-CB 4.24Å; H290-K332 HydrophobicContact CB-CD 4.19Å; H290-K332 HydrophobicContact CB-CG 4.42Å; H290-K332 PolarHBondContact O-N 2.88Å; G315-K332 CarbonylContact C-O 3.53Å; L316-K332 WeakPolarHBondContact CD2-O 3.32Å; L316-K332 VanDerWaalsContact CG-O 3.32Å; L316-K332 WeakPolarHBondContact CG-O 3.43Å | ||
| 333 | D | 98.3 | Very high | 97.5 | Very high | 13 Ų | 13 | 40.3 Ų | 40.3 | 7% | 0.07 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -125.1 | 108.8 | -170.3 | -69 | -73 | 0 | 0 | 0 | 110.3 | H290 T291 G313 Y314 G315 | H290-D333 IonicContact ND1-OD2 2.68Å; H290-D333 PolarHBondContact O-N 3.38Å; H290-D333 VanDerWaalsContact O-N 3.15Å; T291-D333 VanDerWaalsContact CB-O 3.23Å; T291-D333 WeakPolarHBondContact CB-O 3.28Å; T291-D333 PolarHBondContact OG1-O 3.17Å; G313-D333 WeakPolarHBondContact CA-OD1 3.38Å; G313-D333 PolarHBondContact N-OD1 2.95Å; G313-D333 PolarHBondContact N-OD2 2.78Å; Y314-D333 PolarHBondContact N-OD1 2.83Å; G315-D333 PolarHBondContact N-OD1 2.65Å |
| 334 | M | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 140.4 | 179.9 | -165.3 | 177.3 | 67.6 | 0 | 0 | 111.8 | I292 M307 G315 L316 R317 C318 I322 C326 I331 A336 | I292-M334 HydrophobicContact CD1-CG 4.38Å; I292-M334 HydrophobicContact CD1-SD 4.1Å; I292-M334 HydrophobicContact CG2-SD 3.99Å; M307-M334 HydrophobicContact CB-SD 4.24Å; M307-M334 HydrophobicContact SD-CE 4.29Å; M307-M334 HydrophobicContact SD-SD 4.32Å; G315-M334 PolarHBondContact O-N 3.18Å; L316-M334 HydrophobicContact CD2-CB 4.23Å; R317-M334 PolarHBondContact N-O 2.75Å; C318-M334 PolarHBondContact SG-O 3.38Å; I322-M334 HydrophobicContact CG2-CE 3.7Å; C326-M334 WeakPolarHBondContact SG-CE 3.24Å; I331-M334 HydrophobicContact CG2-CB 4.08Å; M334-A336 HydrophobicContact CE-CB 4.16Å |
| 335 | Y | 98 | Very high | 97.4 | Very high | 41 Ų | 41 | 40.9 Ų | 40.9 | 16% | 0.161 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 136.4 | 163.8 | 173.7 | -96.1 | 0 | 0 | 0 | 110 | M307 K308 R317 R337 | M307-Y335 CarbonylContact C-O 3.56Å; M307-Y335 WeakPolarHBondContact CA-O 3.49Å; K308-Y335 HydrophobicContact CB-CD1 4.41Å; K308-Y335 HydrophobicContact CD-CD1 4.35Å; K308-Y335 HydrophobicContact CG-CD1 4.02Å; K308-Y335 PolarHBondContact N-O 3.06Å; K308-Y335 PolarHBondContact O-N 2.9Å; R317-Y335 HydrophobicContact CB-CD2 4.22Å; Y335-R337 HydrophobicContact CE1-CB 4.18Å |
| 336 | A | 97.9 | Very high | 97.4 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 122.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R306 M307 R317 C318 I322 M334 | R306-A336 CarbonylContact O-C 3.5Å; R306-A336 WeakPolarHBondContact O-CA 3.23Å; M307-A336 HydrophobicContact CB-CB 4.42Å; M307-A336 HydrophobicContact CG-CB 3.93Å; R317-A336 PolarHBondContact O-N 3.02Å; C318-A336 HydrophobicContact CB-CB 4.07Å; C318-A336 WeakPolarHBondContact SG-CB 3.41Å; C318-A336 PolarHBondContact SG-N 3.2Å; C318-A336 VanDerWaalsContact SG-N 3.42Å; I322-A336 HydrophobicContact CD1-CB 4.05Å; I322-A336 HydrophobicContact CG2-CB 4.5Å; M334-A336 HydrophobicContact CE-CB 4.16Å |
| 337 | R | 96.5 | Very high | 97.4 | Very high | 97 Ų | 97 | 41.8 Ų | 41.8 | 37% | 0.366 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 133.9 | 171.6 | -166.5 | 178.2 | -173.5 | 166.1 | 4.1 | 110.2 | R306 Y335 T339 | R306-R337 PolarHBondContact N-O 2.84Å; R306-R337 PolarHBondContact O-N 3.43Å; Y335-R337 HydrophobicContact CE1-CB 4.18Å; R337-T339 HydrophobicContact CG-CG2 4.29Å |
| 338 | V | 97.4 | Very high | 97.4 | Very high | 26 Ų | 26 | 35 Ų | 35 | 16% | 0.158 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132.3 | 171.2 | -178 | 0 | 0 | 0 | 0 | 108.5 | T303 Q304 I305 H319 I322 L347 | T303-V338 HydrophobicContact CG2-CG1 4.05Å; Q304-V338 WeakPolarHBondContact O-CA 3.5Å; Q304-V338 WeakPolarHBondContact O-CG1 3.36Å; I305-V338 HydrophobicContact CG2-CG2 4.38Å; H319-V338 HydrophobicContact CB-CG2 4.34Å; I322-V338 HydrophobicContact CD1-CG2 3.74Å; V338-L347 HydrophobicContact CG1-CD1 4.31Å; V338-L347 HydrophobicContact CG2-CD1 4.11Å; V338-L347 HydrophobicContact CG2-CG 4.5Å |
| 339 | T | 96.4 | Very high | 97.5 | Very high | 27 Ų | 27 | 39.7 Ų | 39.7 | 17% | 0.166 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 159.9 | 176.5 | 49.2 | 0 | 0 | 0 | 0 | 111.8 | Q304 R337 | Q304-T339 VanDerWaalsContact CB-OG1 3.22Å; Q304-T339 WeakPolarHBondContact CB-OG1 3.21Å; Q304-T339 PolarHBondContact N-O 2.97Å; Q304-T339 PolarHBondContact O-N 3.49Å; Q304-T339 PolarHBondContact OE1-OG1 3.23Å; R337-T339 HydrophobicContact CG-CG2 4.29Å |
| 340 | G | 95.9 | Very high | 97.4 | Very high | 62 Ų | 62 | 39.7 Ų | 39.7 | 64% | 0.639 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 71.9 | -132 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | M342 | G340-M342 PolarHBondContact O-N 3.12Å |
| 341 | S | 96.7 | Very high | 97.5 | Very high | 47 Ų | 47 | 39.2 Ų | 39.2 | 33% | 0.329 | 20% | 0.203 | S | C | . | . | trans | -74.4 | 111.3 | -171.8 | -177.5 | 0 | 0 | 0 | 0 | 113.1 | R302 T303 N343 | R302-S341 VanDerWaalsContact O-CB 3.31Å; R302-S341 WeakPolarHBondContact O-CB 3.42Å; R302-S341 PolarHBondContact O-N 2.95Å; T303-S341 WeakPolarHBondContact CB-O 3.18Å; T303-S341 WeakPolarHBondContact CG2-O 3.38Å; T303-S341 PolarHBondContact OG1-O 3.3Å; S341-N343 PolarHBondContact O-N 2.83Å | ||
| 342 | M | 95.3 | Very high | 97.5 | Very high | 127 Ų | 127 | 39.1 Ų | 39.1 | 63% | 0.626 | 20% | 0.203 | S | C | * | . | trans | -77.2 | 29 | 175.9 | -58.2 | -176.9 | 74.4 | 0 | 0 | 114.5 | G340 M344 | G340-M342 PolarHBondContact O-N 3.12Å; M342-M344 PolarHBondContact O-N 2.65Å | ||
| 343 | N | 96.7 | Very high | 97.5 | Very high | 63 Ų | 63 | 36.6 Ų | 36.6 | 34% | 0.337 | 19% | 0.193 | S | C | . | . | trans | -69.6 | 113.5 | 178.6 | 176.5 | -4.7 | 0 | 0 | 0 | 110.8 | S341 L345 N346 L347 | S341-N343 PolarHBondContact O-N 2.83Å; N343-L345 PolarHBondContact O-N 2.77Å; N343-L345 VanDerWaalsContact O-N 3.08Å; N343-L345 PolarHBondContact OD1-N 3.35Å; N343-N346 HydrophobicContact CB-CB 4.3Å; N343-N346 PolarHBondContact O-N 3.2Å; N343-L347 PolarHBondContact O-N 3.42Å | ||
| 344 | M | 97.4 | Very high | 97.4 | Very high | 28 Ų | 28 | 36.2 Ų | 36.2 | 14% | 0.138 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -51.3 | -37.7 | -173.7 | -160.8 | 68 | 76.9 | 0 | 0 | 114.2 | W195 L225 E226 L246 A321 M342 T348 | W195-M344 HydrophobicContact CH2-CE 3.77Å; W195-M344 HydrophobicContact CZ3-CE 3.82Å; L225-M344 HydrophobicContact CB-CG 4.18Å; E226-M344 HydrophobicContact CB-CB 4.46Å; E226-M344 HydrophobicContact CB-CG 4.38Å; L246-M344 HydrophobicContact CD2-CB 4.33Å; L246-M344 HydrophobicContact CD2-CG 3.9Å; A321-M344 HydrophobicContact CB-CE 3.96Å; A321-M344 HydrophobicContact CB-SD 3.3Å; A321-M344 WeakPolarHBondContact CB-SD 3.33Å; M342-M344 PolarHBondContact O-N 2.65Å; M344-T348 WeakPolarHBondContact O-CB 3.37Å; M344-T348 PolarHBondContact O-N 3.43Å; M344-T348 PolarHBondContact O-OG1 2.9Å |
| 345 | L | 97.8 | Very high | 97.4 | Very high | 21 Ų | 21 | 36.2 Ų | 36.2 | 11% | 0.11 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.4 | -37 | 179.6 | 178.4 | 59.7 | 0 | 0 | 0 | 112.5 | L246 I260 N343 R349 | L246-L345 HydrophobicContact CD1-CD1 4.11Å; L246-L345 HydrophobicContact CD2-CB 4.47Å; L246-L345 HydrophobicContact CD2-CD1 4.47Å; I260-L345 HydrophobicContact CD1-CD1 3.75Å; I260-L345 HydrophobicContact CD1-CD2 3.74Å; I260-L345 HydrophobicContact CD1-CG 4.42Å; I260-L345 HydrophobicContact CG1-CD1 4.28Å; N343-L345 PolarHBondContact O-N 2.77Å; N343-L345 VanDerWaalsContact O-N 3.08Å; N343-L345 PolarHBondContact OD1-N 3.35Å; L345-R349 HydrophobicContact CD1-CG 4.33Å; L345-R349 WeakPolarHBondContact O-CB 3.34Å; L345-R349 VanDerWaalsContact O-CG 3.25Å; L345-R349 WeakPolarHBondContact O-CG 3.41Å; L345-R349 PolarHBondContact O-N 3.39Å; L345-R349 VanDerWaalsContact O-N 3.11Å |
| 346 | N | 98 | Very high | 97.4 | Very high | 21 Ų | 21 | 36.7 Ų | 36.7 | 11% | 0.112 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.9 | -37.2 | 175.6 | -70.1 | -9.3 | 0 | 0 | 0 | 110.9 | F300 T303 N343 G350 | F300-N346 HydrophobicContact CD1-CB 4.03Å; F300-N346 WeakPolarHBondContact CD1-O 3.45Å; F300-N346 HydrophobicContact CE1-CB 4.48Å; T303-N346 WeakPolarHBondContact OG1-CB 3.34Å; N343-N346 HydrophobicContact CB-CB 4.3Å; N343-N346 PolarHBondContact O-N 3.2Å; N346-G350 PolarHBondContact O-N 3.29Å |
| 347 | L | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.9 | -50.7 | 174.4 | -177.5 | 163.5 | 0 | 0 | 0 | 110.9 | T303 I305 H319 I322 V338 N343 G350 L351 | T303-L347 HydrophobicContact CG2-CB 4.42Å; I305-L347 WeakPolarHBondContact CD1-O 3.48Å; H319-L347 WeakPolarHBondContact ND1-CD1 3.44Å; I322-L347 HydrophobicContact CD1-CD2 4.41Å; I322-L347 HydrophobicContact CG1-CD2 3.8Å; V338-L347 HydrophobicContact CG1-CD1 4.31Å; V338-L347 HydrophobicContact CG2-CD1 4.11Å; V338-L347 HydrophobicContact CG2-CG 4.5Å; N343-L347 PolarHBondContact O-N 3.42Å; L347-G350 PolarHBondContact O-N 2.99Å; L347-L351 WeakPolarHBondContact O-CB 3.4Å; L347-L351 PolarHBondContact O-N 3.03Å |
| 348 | T | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.8 | -46.4 | 179.4 | -53.8 | 0 | 0 | 0 | 0 | 111.1 | L225 F258 I325 M344 G350 L351 F352 | L225-T348 HydrophobicContact CD1-CG2 4.03Å; F258-T348 HydrophobicContact CB-CG2 3.95Å; F258-T348 HydrophobicContact CD1-CG2 4.03Å; F258-T348 HydrophobicContact CD2-CG2 3.82Å; F258-T348 HydrophobicContact CE2-CG2 4.39Å; F258-T348 HydrophobicContact CG-CG2 3.63Å; I325-T348 HydrophobicContact CD1-CG2 4.02Å; M344-T348 WeakPolarHBondContact O-CB 3.37Å; M344-T348 PolarHBondContact O-N 3.43Å; M344-T348 PolarHBondContact O-OG1 2.9Å; T348-G350 PolarHBondContact O-N 3.31Å; T348-L351 PolarHBondContact O-N 3.04Å; T348-F352 HydrophobicContact CG2-CD2 3.96Å; T348-F352 HydrophobicContact CG2-CE2 4.03Å; T348-F352 WeakPolarHBondContact O-CD2 3.49Å; T348-F352 PolarHBondContact O-N 2.8Å; T348-F352 VanDerWaalsContact O-N 3.1Å |
| 349 | R | 98.1 | Very high | 97.3 | Very high | 105 Ų | 105 | 43.1 Ų | 43.1 | 40% | 0.396 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.6 | -43.6 | 176.4 | -76.5 | 174.8 | 172.7 | -155.3 | -4.9 | 112.6 | F258 F300 L345 H353 | F258-R349 HydrophobicContact CE2-CG 3.7Å; F258-R349 HydrophobicContact CZ-CB 4.5Å; F258-R349 HydrophobicContact CZ-CG 3.63Å; F300-R349 HydrophobicContact CD1-CB 4.11Å; F300-R349 HydrophobicContact CE1-CB 3.57Å; F300-R349 HydrophobicContact CE1-CG 4.43Å; F300-R349 HydrophobicContact CE2-CB 4.2Å; F300-R349 HydrophobicContact CZ-CB 3.63Å; F300-R349 HydrophobicContact CZ-CG 4.41Å; L345-R349 HydrophobicContact CD1-CG 4.33Å; L345-R349 WeakPolarHBondContact O-CB 3.34Å; L345-R349 VanDerWaalsContact O-CG 3.25Å; L345-R349 WeakPolarHBondContact O-CG 3.41Å; L345-R349 PolarHBondContact O-N 3.39Å; L345-R349 VanDerWaalsContact O-N 3.11Å; R349-H353 WeakPolarHBondContact O-CB 3.36Å; R349-H353 PolarHBondContact O-N 2.84Å |
| 350 | G | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.7 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L298 N346 L347 T348 H353 G354 | L298-G350 WeakPolarHBondContact CD2-O 3.32Å; N346-G350 PolarHBondContact O-N 3.29Å; L347-G350 PolarHBondContact O-N 2.99Å; T348-G350 PolarHBondContact O-N 3.31Å; G350-H353 PolarHBondContact O-N 2.75Å; G350-G354 PolarHBondContact O-N 2.89Å |
| 351 | L | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.6 | -57 | 177.7 | 179.5 | 65.5 | 0 | 0 | 0 | 111.5 | I305 M307 I322 I325 L347 T348 H353 G354 L355 | I305-L351 HydrophobicContact CD1-CB 4.43Å; M307-L351 HydrophobicContact CE-CD1 4.29Å; M307-L351 HydrophobicContact SD-CD1 3.38Å; M307-L351 WeakPolarHBondContact SD-CD1 3.32Å; I322-L351 HydrophobicContact CB-CD2 4.42Å; I322-L351 HydrophobicContact CG1-CD2 4.27Å; I322-L351 HydrophobicContact CG2-CD1 4.1Å; I322-L351 HydrophobicContact CG2-CD2 4.09Å; I325-L351 HydrophobicContact CB-CD2 3.92Å; I325-L351 HydrophobicContact CD1-CD2 3.66Å; I325-L351 HydrophobicContact CG1-CD2 4.41Å; I325-L351 HydrophobicContact CG2-CD2 3.75Å; L347-L351 WeakPolarHBondContact O-CB 3.4Å; L347-L351 PolarHBondContact O-N 3.03Å; T348-L351 PolarHBondContact O-N 3.04Å; L351-H353 VanDerWaalsContact C-N 3.29Å; L351-H353 PolarHBondContact O-N 2.77Å; L351-G354 PolarHBondContact O-N 3.37Å; L351-L355 HydrophobicContact CD1-CD1 3.74Å; L351-L355 HydrophobicContact CD1-CG 4.16Å; L351-L355 HydrophobicContact CG-CD1 3.91Å; L351-L355 WeakPolarHBondContact O-CG 3.29Å; L351-L355 PolarHBondContact O-N 3.47Å |
| 352 | F | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.5 | -38.5 | 177.6 | -83.6 | -80.9 | 0 | 0 | 0 | 112.1 | A256 F258 H282 I284 I325 T348 G354 A356 | A256-F352 HydrophobicContact CB-CE1 3.92Å; A256-F352 HydrophobicContact CB-CZ 4.02Å; A256-F352 VanDerWaalsContact O-CE1 3.32Å; A256-F352 WeakPolarHBondContact O-CE1 3.43Å; F258-F352 HydrophobicContact CB-CE2 4.22Å; F258-F352 HydrophobicContact CD1-CB 4.47Å; F258-F352 AromaticContact CD1-CD2 3.32Å; F258-F352 HydrophobicContact CD1-CD2 3.32Å; F258-F352 AromaticContact CD1-CE2 3.53Å; F258-F352 HydrophobicContact CD1-CE2 3.53Å; F258-F352 AromaticContact CD1-CG 3.87Å; F258-F352 HydrophobicContact CD1-CG 3.87Å; F258-F352 HydrophobicContact CD1-CZ 4.24Å; F258-F352 HydrophobicContact CE1-CB 3.99Å; F258-F352 AromaticContact CE1-CD2 3.67Å; F258-F352 HydrophobicContact CE1-CD2 3.67Å; F258-F352 HydrophobicContact CE1-CE2 4.34Å; F258-F352 AromaticContact CE1-CG 3.9Å; F258-F352 HydrophobicContact CE1-CG 3.9Å; F258-F352 HydrophobicContact CG-CD2 4.25Å; F258-F352 HydrophobicContact CG-CE2 4.2Å; H282-F352 HydrophobicContact CB-CD1 4.11Å; H282-F352 HydrophobicContact CB-CE1 4.5Å; H282-F352 AromaticContact CD2-CD1 3.61Å; I284-F352 HydrophobicContact CD1-CD1 4.41Å; I325-F352 HydrophobicContact CG2-CE2 3.82Å; I325-F352 HydrophobicContact CG2-CZ 3.87Å; T348-F352 HydrophobicContact CG2-CD2 3.96Å; T348-F352 HydrophobicContact CG2-CE2 4.03Å; T348-F352 WeakPolarHBondContact O-CD2 3.49Å; T348-F352 PolarHBondContact O-N 2.8Å; T348-F352 VanDerWaalsContact O-N 3.1Å; F352-G354 VanDerWaalsContact C-N 3.34Å; F352-G354 PolarHBondContact O-N 3.49Å; F352-A356 WeakPolarHBondContact O-CB 3.37Å; F352-A356 PolarHBondContact O-N 3.26Å |
| 353 | H | 97.7 | Very high | 97.5 | Very high | 81 Ų | 81 | 40 Ų | 40 | 38% | 0.375 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.7 | -28.9 | 177.6 | -177.4 | 73.9 | 0 | 0 | 0 | 114.1 | R349 G350 L351 R357 | R349-H353 WeakPolarHBondContact O-CB 3.36Å; R349-H353 PolarHBondContact O-N 2.84Å; G350-H353 PolarHBondContact O-N 2.75Å; L351-H353 VanDerWaalsContact C-N 3.29Å; L351-H353 PolarHBondContact O-N 2.77Å; H353-R357 VanDerWaalsContact CE1-CZ 3.43Å; H353-R357 PolarHBondContact CE1-NE 3.47Å; H353-R357 PolarHBondContact NE2-NH1 2.91Å; H353-R357 WeakPolarHBondContact O-CB 3.19Å; H353-R357 WeakPolarHBondContact O-CD 3.11Å; H353-R357 VanDerWaalsContact O-CG 3.29Å; H353-R357 WeakPolarHBondContact O-CG 3.35Å |
| 354 | G | 97.4 | Very high | 97.6 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -78.2 | -49.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G350 L351 F352 A356 R357 Q358 | G350-G354 PolarHBondContact O-N 2.89Å; L351-G354 PolarHBondContact O-N 3.37Å; F352-G354 VanDerWaalsContact C-N 3.34Å; F352-G354 PolarHBondContact O-N 3.49Å; G354-A356 VanDerWaalsContact C-N 3.32Å; G354-A356 PolarHBondContact O-N 2.86Å; G354-R357 PolarHBondContact O-N 2.93Å; G354-Q358 PolarHBondContact O-N 2.92Å |
| 355 | L | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.2 | -35.1 | -178.5 | -65.4 | 176.4 | 0 | 0 | 0 | 112.6 | I284 I292 I296 M307 I329 I331 L351 R357 Q358 | I284-L355 HydrophobicContact CD1-CB 3.79Å; I284-L355 HydrophobicContact CG1-CB 4.41Å; I284-L355 HydrophobicContact CG2-CB 3.83Å; I284-L355 HydrophobicContact CG2-CD1 4.36Å; I292-L355 HydrophobicContact CG2-CD2 3.53Å; I296-L355 HydrophobicContact CD1-CD2 4.24Å; M307-L355 HydrophobicContact CE-CD2 3.87Å; M307-L355 HydrophobicContact CE-CG 4.15Å; M307-L355 HydrophobicContact SD-CD2 4.44Å; I329-L355 HydrophobicContact CD1-CD1 3.72Å; I331-L355 HydrophobicContact CD1-CD1 4.27Å; I331-L355 HydrophobicContact CD1-CD2 4.35Å; L351-L355 HydrophobicContact CD1-CD1 3.74Å; L351-L355 HydrophobicContact CD1-CG 4.16Å; L351-L355 HydrophobicContact CG-CD1 3.91Å; L351-L355 WeakPolarHBondContact O-CG 3.29Å; L351-L355 PolarHBondContact O-N 3.47Å; L355-R357 PolarHBondContact O-N 3.19Å; L355-Q358 WeakPolarHBondContact O-CG 3.1Å; L355-Q358 PolarHBondContact O-NE2 2.85Å |
| 356 | A | 96.7 | Very high | 97.6 | Very high | 50 Ų | 50 | 40.2 Ų | 40.2 | 41% | 0.413 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 15.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I284 F352 G354 | I284-A356 HydrophobicContact CD1-CB 3.94Å; F352-A356 WeakPolarHBondContact O-CB 3.37Å; F352-A356 PolarHBondContact O-N 3.26Å; G354-A356 VanDerWaalsContact C-N 3.32Å; G354-A356 PolarHBondContact O-N 2.86Å |
| 357 | R | 96.3 | Very high | 97.5 | Very high | 185 Ų | 185 | 45.6 Ų | 45.6 | 70% | 0.698 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -130.8 | 10.5 | 176.3 | -80.8 | -174 | 157.1 | -159 | -10.5 | 113.2 | H353 G354 L355 | H353-R357 VanDerWaalsContact CE1-CZ 3.43Å; H353-R357 PolarHBondContact CE1-NE 3.47Å; H353-R357 PolarHBondContact NE2-NH1 2.91Å; H353-R357 WeakPolarHBondContact O-CB 3.19Å; H353-R357 WeakPolarHBondContact O-CD 3.11Å; H353-R357 VanDerWaalsContact O-CG 3.29Å; H353-R357 WeakPolarHBondContact O-CG 3.35Å; G354-R357 PolarHBondContact O-N 2.93Å; L355-R357 PolarHBondContact O-N 3.19Å |
| 358 | Q | 96 | Very high | 97.4 | Very high | 9 Ų | 9 | 50 Ų | 50 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 130.5 | 173.3 | 70.4 | -168.5 | -34.6 | 0 | 0 | 109.9 | E285 F293 I296 G354 L355 | E285-Q358 PolarHBondContact O-NE2 3.06Å; F293-Q358 HydrophobicContact CD2-CG 4.45Å; F293-Q358 VanDerWaalsContact N-OE1 3.16Å; I296-Q358 HydrophobicContact CD1-CB 4.1Å; G354-Q358 PolarHBondContact O-N 2.92Å; L355-Q358 WeakPolarHBondContact O-CG 3.1Å; L355-Q358 PolarHBondContact O-NE2 2.85Å |
| 359 | E | 96.9 | Very high | 97.2 | Very high | 72 Ų | 72 | 50.6 Ų | 50.6 | 34% | 0.336 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -71 | 131.8 | 161.3 | -168.5 | 156.2 | -117.2 | 0 | 0 | 109.7 | H294 H363 L364 K367 | H294-E359 PolarHBondContact CE1-N 3.36Å; H294-E359 PolarHBondContact CE1-O 3.22Å; H294-E359 PolarHBondContact ND1-O 2.99Å; E359-H363 HydrophobicContact CG-CB 4.02Å; E359-L364 HydrophobicContact CG-CB 4.37Å; E359-K367 WeakPolarHBondContact OE1-CD 3.43Å; E359-K367 WeakPolarHBondContact OE1-CE 3.45Å; E359-K367 IonicContact OE1-NZ 2.9Å; E359-K367 PolarHBondContact OE1-NZ 2.68Å; E359-K367 IonicContact OE2-NZ 3.26Å; E359-K367 PolarHBondContact OE2-NZ 2.87Å |
| 360 | T | 97.8 | Very high | 97.2 | Very high | 12 Ų | 12 | 47.6 Ų | 47.6 | 7% | 0.074 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -82.6 | 163.7 | 174.4 | 64.2 | 0 | 0 | 0 | 0 | 110.5 | E285 F293 Q362 H363 L364 | E285-T360 HydrophobicContact CB-CG2 4.45Å; E285-T360 HydrophobicContact CG-CG2 4.41Å; E285-T360 VanDerWaalsContact OE1-CG2 3.28Å; E285-T360 WeakPolarHBondContact OE1-CG2 3.24Å; E285-T360 WeakPolarHBondContact OE2-CG2 3.38Å; F293-T360 HydrophobicContact CD2-CG2 4.32Å; F293-T360 HydrophobicContact CE1-CG2 4.45Å; F293-T360 HydrophobicContact CE2-CG2 3.98Å; F293-T360 HydrophobicContact CZ-CG2 4.04Å; T360-Q362 PolarHBondContact O-N 3.45Å; T360-Q362 PolarHBondContact OG1-N 2.98Å; T360-H363 PolarHBondContact O-N 3.36Å; T360-H363 VanDerWaalsContact OG1-CG 3.23Å; T360-H363 PolarHBondContact OG1-N 2.99Å; T360-H363 PolarHBondContact OG1-ND1 3.5Å; T360-L364 WeakPolarHBondContact O-CB 3.2Å; T360-L364 PolarHBondContact O-N 3.39Å |
| 361 | H | 98 | Very high | 97.2 | Very high | 27 Ų | 27 | 52.2 Ų | 52.2 | 13% | 0.125 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.2 | -32.6 | 172.3 | -60.4 | 169.9 | 0 | 0 | 0 | 112 | Y287 F293 L364 A365 V372 V386 A387 | Y287-H361 AromaticContact CD2-CE1 3.56Å; Y287-H361 AromaticContact CD2-ND1 3.98Å; Y287-H361 AromaticContact CE2-CE1 3.33Å; Y287-H361 WeakPolarHBondContact CE2-CE1 3.45Å; Y287-H361 AromaticContact CE2-ND1 3.68Å; F293-H361 AromaticContact CD1-CD2 3.64Å; F293-H361 AromaticContact CD1-CG 3.91Å; F293-H361 AromaticContact CD1-NE2 3.81Å; H361-L364 PolarHBondContact O-N 2.85Å; H361-A365 WeakPolarHBondContact O-CB 3.44Å; H361-A365 PolarHBondContact O-N 2.98Å; H361-V372 HydrophobicContact CB-CG1 4.22Å; H361-V386 HydrophobicContact CB-CG2 4.47Å; H361-V386 WeakPolarHBondContact ND1-CG2 3.41Å; H361-A387 HydrophobicContact CB-CB 3.87Å; H361-A387 WeakPolarHBondContact O-CB 3.21Å |
| 362 | Q | 97.7 | Very high | 97.1 | Very high | 58 Ų | 58 | 53.4 Ų | 53.4 | 27% | 0.271 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.5 | -48.5 | 178.4 | -168.5 | 54.4 | 54.9 | 0 | 0 | 111.7 | T360 L364 A365 D366 S388 H390 | T360-Q362 PolarHBondContact O-N 3.45Å; T360-Q362 PolarHBondContact OG1-N 2.98Å; Q362-L364 PolarHBondContact O-N 2.8Å; Q362-A365 PolarHBondContact O-N 2.79Å; Q362-A365 VanDerWaalsContact O-N 3.12Å; Q362-D366 PolarHBondContact NE2-OD1 2.97Å; Q362-D366 PolarHBondContact NE2-OD2 3.32Å; Q362-D366 PolarHBondContact O-N 3.37Å; Q362-S388 PolarHBondContact NE2-O 3.17Å; Q362-S388 PolarHBondContact OE1-O 2.79Å; Q362-H390 VanDerWaalsContact CD-CE1 3.47Å; Q362-H390 PolarHBondContact NE2-CE1 2.95Å; Q362-H390 PolarHBondContact NE2-ND1 3.37Å |
| 363 | H | 97 | Very high | 97.1 | Very high | 101 Ų | 101 | 56.1 Ų | 56.1 | 47% | 0.468 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.3 | -36.2 | 174.2 | -63 | 156.2 | 0 | 0 | 0 | 111.9 | E359 T360 K367 | E359-H363 HydrophobicContact CG-CB 4.02Å; T360-H363 PolarHBondContact O-N 3.36Å; T360-H363 VanDerWaalsContact OG1-CG 3.23Å; T360-H363 PolarHBondContact OG1-N 2.99Å; T360-H363 PolarHBondContact OG1-ND1 3.5Å; H363-K367 WeakPolarHBondContact O-CB 3.35Å; H363-K367 PolarHBondContact O-N 3.18Å |
| 364 | L | 97.3 | Very high | 97.1 | Very high | 51 Ų | 51 | 53.6 Ų | 53.6 | 27% | 0.267 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 174.4 | -177.1 | 62.4 | 0 | 0 | 0 | 112.4 | E359 T360 H361 Q362 K368 V372 | E359-L364 HydrophobicContact CG-CB 4.37Å; T360-L364 WeakPolarHBondContact O-CB 3.2Å; T360-L364 PolarHBondContact O-N 3.39Å; H361-L364 PolarHBondContact O-N 2.85Å; Q362-L364 PolarHBondContact O-N 2.8Å; L364-K368 HydrophobicContact CD1-CD 4Å; L364-K368 HydrophobicContact CD1-CG 4.3Å; L364-K368 WeakPolarHBondContact O-CB 3.39Å; L364-K368 PolarHBondContact O-N 2.84Å; L364-K368 VanDerWaalsContact O-N 3.09Å; L364-V372 HydrophobicContact CB-CG2 4.42Å; L364-V372 HydrophobicContact CD2-CG2 4.18Å; L364-V372 HydrophobicContact CG-CG2 4.25Å |
| 365 | A | 97.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.4 | -50.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | H361 Q362 K367 K368 G369 L370 V372 A387 | H361-A365 WeakPolarHBondContact O-CB 3.44Å; H361-A365 PolarHBondContact O-N 2.98Å; Q362-A365 PolarHBondContact O-N 2.79Å; Q362-A365 VanDerWaalsContact O-N 3.12Å; A365-K367 VanDerWaalsContact C-N 3.3Å; A365-K367 PolarHBondContact O-N 2.88Å; A365-K368 PolarHBondContact O-N 3.34Å; A365-G369 WeakPolarHBondContact O-CA 3.37Å; A365-G369 PolarHBondContact O-N 3.36Å; A365-L370 WeakPolarHBondContact CA-O 3.33Å; A365-L370 WeakPolarHBondContact CB-O 3.36Å; A365-L370 PolarHBondContact O-N 3.33Å; A365-V372 HydrophobicContact CB-CG2 3.98Å; A365-A387 HydrophobicContact CB-CB 4.03Å |
| 366 | D | 97.2 | Very high | 96.9 | Very high | 63 Ų | 63 | 62.6 Ų | 62.6 | 34% | 0.337 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.8 | -33.7 | 180 | -70.5 | -45.8 | 0 | 0 | 0 | 112.8 | Q362 P389 H390 | Q362-D366 PolarHBondContact NE2-OD1 2.97Å; Q362-D366 PolarHBondContact NE2-OD2 3.32Å; Q362-D366 PolarHBondContact O-N 3.37Å; D366-P389 WeakPolarHBondContact OD1-CA 3.47Å; D366-H390 IonicContact OD1-CG 3.99Å; D366-H390 PolarHBondContact OD1-N 2.98Å; D366-H390 IonicContact OD1-ND1 3.39Å; D366-H390 PolarHBondContact OD1-ND1 3.27Å; D366-H390 IonicContact OD2-CE1 2.99Å; D366-H390 IonicContact OD2-ND1 3.6Å; D366-H390 PolarHBondContact OD2-ND1 3.22Å |
| 367 | K | 96.4 | Very high | 96.8 | Very high | 134 Ų | 134 | 69.9 Ų | 69.9 | 58% | 0.583 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -74.6 | -32.9 | 177.9 | 172.3 | -176.1 | 172.7 | -172 | 0 | 114 | E359 H363 A365 | E359-K367 WeakPolarHBondContact OE1-CD 3.43Å; E359-K367 WeakPolarHBondContact OE1-CE 3.45Å; E359-K367 IonicContact OE1-NZ 2.9Å; E359-K367 PolarHBondContact OE1-NZ 2.68Å; E359-K367 IonicContact OE2-NZ 3.26Å; E359-K367 PolarHBondContact OE2-NZ 2.87Å; H363-K367 WeakPolarHBondContact O-CB 3.35Å; H363-K367 PolarHBondContact O-N 3.18Å; A365-K367 VanDerWaalsContact C-N 3.3Å; A365-K367 PolarHBondContact O-N 2.88Å |
| 368 | K | 95.8 | Very high | 96.8 | Very high | 92 Ų | 92 | 68.6 Ų | 68.6 | 40% | 0.4 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -95.8 | -17.7 | 179.1 | -72.4 | -170.2 | 165.8 | -155.6 | 0 | 113.6 | L364 A365 L370 E398 | L364-K368 HydrophobicContact CD1-CD 4Å; L364-K368 HydrophobicContact CD1-CG 4.3Å; L364-K368 WeakPolarHBondContact O-CB 3.39Å; L364-K368 PolarHBondContact O-N 2.84Å; L364-K368 VanDerWaalsContact O-N 3.09Å; A365-K368 PolarHBondContact O-N 3.34Å; K368-L370 VanDerWaalsContact C-N 3.28Å; K368-L370 HydrophobicContact CB-CB 4.21Å; K368-L370 HydrophobicContact CB-CD1 4.42Å; K368-L370 HydrophobicContact CB-CG 4.47Å; K368-E398 VanDerWaalsContact CD-OE1 3.26Å; K368-E398 WeakPolarHBondContact CD-OE1 3.38Å; K368-E398 WeakPolarHBondContact CE-OE1 3.29Å; K368-E398 IonicContact NZ-OE1 2.77Å; K368-E398 PolarHBondContact NZ-OE1 3.05Å; K368-E398 IonicContact NZ-OE2 2.97Å; K368-E398 PolarHBondContact NZ-OE2 3.49Å |
| 369 | G | 95.5 | Very high | 96.8 | Very high | 13 Ų | 13 | 70.5 Ų | 70.5 | 13% | 0.134 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 30.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A365 L393 S394 | A365-G369 WeakPolarHBondContact O-CA 3.37Å; A365-G369 PolarHBondContact O-N 3.36Å; G369-L393 CarbonylContact O-C 3.6Å; G369-L393 WeakPolarHBondContact O-CA 3.5Å; G369-L393 WeakPolarHBondContact O-CD1 3.33Å; G369-S394 PolarHBondContact O-N 2.94Å |
| 370 | L | 96.7 | Very high | 96.7 | Very high | 43 Ų | 43 | 69 Ų | 69 | 23% | 0.225 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -135 | 151.1 | -172.5 | -72.2 | 173.7 | 0 | 0 | 0 | 112.2 | A365 K368 E398 | A365-L370 WeakPolarHBondContact CA-O 3.33Å; A365-L370 WeakPolarHBondContact CB-O 3.36Å; A365-L370 PolarHBondContact O-N 3.33Å; K368-L370 VanDerWaalsContact C-N 3.28Å; K368-L370 HydrophobicContact CB-CB 4.21Å; K368-L370 HydrophobicContact CB-CD1 4.42Å; K368-L370 HydrophobicContact CB-CG 4.47Å; L370-E398 HydrophobicContact CD1-CG 3.68Å |
| 371 | H | 97.6 | Very high | 96.7 | Very high | 96 Ų | 96 | 74.2 Ų | 74.2 | 44% | 0.444 | 38% | 0.378 | S | S | . | . | trans | -66.9 | 133.1 | 173.1 | -70.7 | -73.5 | 0 | 0 | 0 | 111.2 | V385 S388 L393 | H371-V385 HydrophobicContact CB-CG1 4.41Å; H371-S388 WeakPolarHBondContact ND1-CB 3.4Å; H371-L393 VanDerWaalsContact CD2-CD1 3.49Å; H371-L393 WeakPolarHBondContact CD2-CD1 3.28Å | ||
| 372 | V | 97.9 | Very high | 96.6 | Very high | 26 Ų | 26 | 77.8 Ų | 77.8 | 16% | 0.158 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 114.8 | 171.3 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | H361 L364 A365 V386 A387 | H361-V372 HydrophobicContact CB-CG1 4.22Å; L364-V372 HydrophobicContact CB-CG2 4.42Å; L364-V372 HydrophobicContact CD2-CG2 4.18Å; L364-V372 HydrophobicContact CG-CG2 4.25Å; A365-V372 HydrophobicContact CB-CG2 3.98Å; V372-V386 HydrophobicContact CB-CG2 4.16Å; V372-V386 HydrophobicContact CG1-CG2 3.71Å; V372-V386 VanDerWaalsContact O-CG2 3.28Å; V372-V386 WeakPolarHBondContact O-CG2 3.28Å; V372-V386 PolarHBondContact O-N 3.29Å; V372-A387 HydrophobicContact CB-CB 4.2Å; V372-A387 HydrophobicContact CG2-CB 4.44Å; V372-A387 PolarHBondContact N-O 2.81Å; V372-A387 PolarHBondContact O-N 3.31Å |
| 373 | V | 97.8 | Very high | 96.6 | Very high | 58 Ų | 58 | 78.7 Ų | 78.7 | 35% | 0.352 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.7 | 178.5 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | F375 P383 I384 V385 | V373-F375 HydrophobicContact CB-CE2 4.4Å; V373-F375 HydrophobicContact CG1-CD2 4.28Å; V373-F375 HydrophobicContact CG1-CE1 4.26Å; V373-F375 HydrophobicContact CG1-CE2 3.81Å; V373-F375 HydrophobicContact CG1-CZ 3.8Å; V373-P383 HydrophobicContact CG1-CB 3.55Å; V373-I384 CarbonylContact C-O 3.59Å; V373-I384 WeakPolarHBondContact CA-O 3.28Å; V373-V385 HydrophobicContact CG2-CG2 4.44Å |
| 374 | E | 97.2 | Very high | 96.6 | Very high | 29 Ų | 29 | 76.3 Ų | 76.3 | 14% | 0.136 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 123.4 | 169.1 | -169.2 | 177.4 | -115.2 | 0 | 0 | 109.3 | Y287 K309 R376 I384 V386 | Y287-E374 PolarHBondContact OH-OE1 3.19Å; Y287-E374 PolarHBondContact OH-OE2 2.98Å; K309-E374 IonicContact NZ-OE1 2.75Å; K309-E374 PolarHBondContact NZ-OE1 3.17Å; E374-R376 HydrophobicContact CG-CG 4.26Å; E374-R376 IonicContact OE2-CZ 2.65Å; E374-R376 IonicContact OE2-NE 3.55Å; E374-R376 PolarHBondContact OE2-NE 2.86Å; E374-R376 IonicContact OE2-NH2 2.72Å; E374-R376 PolarHBondContact OE2-NH2 3.32Å; E374-I384 PolarHBondContact N-O 2.77Å; E374-I384 WeakPolarHBondContact O-CB 3.44Å; E374-I384 PolarHBondContact O-N 2.78Å; E374-I384 VanDerWaalsContact O-N 3.17Å; E374-V386 HydrophobicContact CB-CG1 3.71Å; E374-V386 HydrophobicContact CB-CG2 4.15Å |
| 375 | F | 97 | Very high | 96.6 | Very high | 136 Ų | 136 | 77.9 Ų | 77.9 | 60% | 0.596 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -95.7 | 137.9 | 167.8 | -65.2 | -78.9 | 0 | 0 | 0 | 109.1 | V373 P383 | V373-F375 HydrophobicContact CB-CE2 4.4Å; V373-F375 HydrophobicContact CG1-CD2 4.28Å; V373-F375 HydrophobicContact CG1-CE1 4.26Å; V373-F375 HydrophobicContact CG1-CE2 3.81Å; V373-F375 HydrophobicContact CG1-CZ 3.8Å; F375-P383 HydrophobicContact CE1-CB 3.82Å; F375-P383 HydrophobicContact CZ-CB 4.15Å |
| 376 | R | 95.3 | Very high | 96.6 | Very high | 58 Ų | 58 | 79.9 Ų | 79.9 | 22% | 0.219 | 42% | 0.423 | C | S | . | . | trans | -128.5 | 129.1 | -178.4 | -56.3 | -174.3 | 175.7 | -164.5 | -1.2 | 110 | Y287 E288 E374 E378 C379 G380 I384 | Y287-R376 PolarHBondContact OH-NH2 3.26Å; E288-R376 IonicContact OE1-CZ 3.94Å; E288-R376 IonicContact OE1-NH1 3.43Å; E288-R376 IonicContact OE1-NH2 3.38Å; E288-R376 PolarHBondContact OE1-NH2 3.44Å; E374-R376 HydrophobicContact CG-CG 4.26Å; E374-R376 IonicContact OE2-CZ 2.65Å; E374-R376 IonicContact OE2-NE 3.55Å; E374-R376 PolarHBondContact OE2-NE 2.86Å; E374-R376 IonicContact OE2-NH2 2.72Å; E374-R376 PolarHBondContact OE2-NH2 3.32Å; R376-E378 HydrophobicContact CB-CG 3.87Å; R376-E378 WeakPolarHBondContact CD-OE1 3.42Å; R376-E378 IonicContact NH1-OE1 2.77Å; R376-E378 PolarHBondContact NH1-OE1 3.41Å; R376-E378 PolarHBondContact O-N 3.05Å; R376-C379 HydrophobicContact CB-CB 4.26Å; R376-C379 PolarHBondContact O-N 3.39Å; R376-G380 PolarHBondContact O-N 3.44Å; R376-I384 HydrophobicContact CG-CD1 4.19Å | ||
| 377 | E | 94.7 | Very high | 96.6 | Very high | 204 Ų | 204 | 77.3 Ų | 77.3 | 95% | 0.953 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -54.9 | -36.3 | 178 | -63.1 | 174.6 | -177.9 | 0 | 0 | 112 | C379 G380 | E377-C379 VanDerWaalsContact C-N 3.26Å; E377-C379 PolarHBondContact O-N 3.34Å; E377-G380 PolarHBondContact O-N 3.46Å |
| 378 | E | 95.5 | Very high | 96.6 | Very high | 157 Ų | 157 | 73.5 Ų | 73.5 | 73% | 0.734 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -66.6 | -17.9 | 175.3 | 62.1 | -177.4 | -171 | 0 | 0 | 114.8 | R376 | R376-E378 HydrophobicContact CB-CG 3.87Å; R376-E378 WeakPolarHBondContact CD-OE1 3.42Å; R376-E378 IonicContact NH1-OE1 2.77Å; R376-E378 PolarHBondContact NH1-OE1 3.41Å; R376-E378 PolarHBondContact O-N 3.05Å |
| 379 | C | 95.7 | Very high | 96.7 | Very high | 49 Ų | 49 | 70 Ų | 70 | 33% | 0.331 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -110.4 | 2.4 | 179.3 | -58.9 | 0 | 0 | 0 | 0 | 113.2 | R376 E377 L382 | R376-C379 HydrophobicContact CB-CB 4.26Å; R376-C379 PolarHBondContact O-N 3.39Å; E377-C379 VanDerWaalsContact C-N 3.26Å; E377-C379 PolarHBondContact O-N 3.34Å; C379-L382 HydrophobicContact CB-CB 4.23Å; C379-L382 HydrophobicContact CB-CD2 4.46Å |
| 380 | G | 95.5 | Very high | 96.7 | Very high | 41 Ų | 41 | 76.7 Ų | 76.7 | 42% | 0.423 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | -134.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R376 E377 L382 | R376-G380 PolarHBondContact O-N 3.44Å; E377-G380 PolarHBondContact O-N 3.46Å; G380-L382 VanDerWaalsContact C-N 3.26Å; G380-L382 PolarHBondContact O-N 3.34Å |
| 381 | P | 96.5 | Very high | 96.6 | Very high | 121 Ų | 121 | 77.2 Ų | 77.2 | 79% | 0.786 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 3.9 | -174.4 | 34.3 | -36.9 | 0 | 0 | 0 | 114.7 | P383 | P381-P383 VanDerWaalsContact O-CD 3.28Å; P381-P383 WeakPolarHBondContact O-CD 3.43Å |
| 382 | L | 97.1 | Very high | 96.3 | Very high | 103 Ų | 103 | 77.2 Ų | 77.2 | 54% | 0.539 | 45% | 0.447 | S | S | . | . | trans | -64.9 | 117.6 | -174.7 | -177.3 | 69.8 | 0 | 0 | 0 | 111.8 | C379 G380 I384 | C379-L382 HydrophobicContact CB-CB 4.23Å; C379-L382 HydrophobicContact CB-CD2 4.46Å; G380-L382 VanDerWaalsContact C-N 3.26Å; G380-L382 PolarHBondContact O-N 3.34Å; L382-I384 PolarHBondContact O-N 3.26Å | ||
| 383 | P | 97 | Very high | 96.2 | Very high | 77 Ų | 77 | 80.1 Ų | 80.1 | 50% | 0.5 | 46% | 0.461 | S | S | . | . | trans | -78.5 | 108.5 | 177.7 | 30.3 | -32.9 | 0 | 0 | 0 | 111 | V373 F375 P381 | V373-P383 HydrophobicContact CG1-CB 3.55Å; F375-P383 HydrophobicContact CE1-CB 3.82Å; F375-P383 HydrophobicContact CZ-CB 4.15Å; P381-P383 VanDerWaalsContact O-CD 3.28Å; P381-P383 WeakPolarHBondContact O-CD 3.43Å | ||
| 384 | I | 97.4 | Very high | 95.9 | Very high | 50 Ų | 50 | 79.6 Ų | 79.6 | 26% | 0.256 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 106.9 | 176.8 | -54.5 | 177.1 | 0 | 0 | 0 | 108.9 | V373 E374 R376 L382 V386 | V373-I384 CarbonylContact C-O 3.59Å; V373-I384 WeakPolarHBondContact CA-O 3.28Å; E374-I384 PolarHBondContact N-O 2.77Å; E374-I384 WeakPolarHBondContact O-CB 3.44Å; E374-I384 PolarHBondContact O-N 2.78Å; E374-I384 VanDerWaalsContact O-N 3.17Å; R376-I384 HydrophobicContact CG-CD1 4.19Å; L382-I384 PolarHBondContact O-N 3.26Å; I384-V386 HydrophobicContact CG2-CG1 4.07Å; I384-V386 PolarHBondContact O-N 2.79Å |
| 385 | V | 97.2 | Very high | 95.8 | Very high | 84 Ų | 84 | 88 Ų | 88 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 111.3 | 173.7 | -176.6 | 0 | 0 | 0 | 0 | 109 | H371 V373 | H371-V385 HydrophobicContact CB-CG1 4.41Å; V373-V385 HydrophobicContact CG2-CG2 4.44Å |
| 386 | V | 97.4 | Very high | 95.6 | Very high | 44 Ų | 44 | 88.9 Ų | 88.9 | 27% | 0.267 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -14.1 | -177 | -67.7 | 0 | 0 | 0 | 0 | 113.6 | H361 V372 E374 I384 | H361-V386 HydrophobicContact CB-CG2 4.47Å; H361-V386 WeakPolarHBondContact ND1-CG2 3.41Å; V372-V386 HydrophobicContact CB-CG2 4.16Å; V372-V386 HydrophobicContact CG1-CG2 3.71Å; V372-V386 VanDerWaalsContact O-CG2 3.28Å; V372-V386 WeakPolarHBondContact O-CG2 3.28Å; V372-V386 PolarHBondContact O-N 3.29Å; E374-V386 HydrophobicContact CB-CG1 3.71Å; E374-V386 HydrophobicContact CB-CG2 4.15Å; I384-V386 HydrophobicContact CG2-CG1 4.07Å; I384-V386 PolarHBondContact O-N 2.79Å |
| 387 | A | 97.5 | Very high | 95.5 | Very high | 8 Ų | 8 | 91.6 Ų | 91.6 | 7% | 0.066 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 154.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | H361 A365 V372 | H361-A387 HydrophobicContact CB-CB 3.87Å; H361-A387 WeakPolarHBondContact O-CB 3.21Å; A365-A387 HydrophobicContact CB-CB 4.03Å; V372-A387 HydrophobicContact CB-CB 4.2Å; V372-A387 HydrophobicContact CG2-CB 4.44Å; V372-A387 PolarHBondContact N-O 2.81Å; V372-A387 PolarHBondContact O-N 3.31Å |
| 388 | S | 97.4 | Very high | 95.4 | Very high | 55 Ų | 55 | 86.6 Ų | 86.6 | 39% | 0.385 | 50% | 0.504 | S | S | . | . | trans | -131.1 | 146.6 | 173.8 | 52.8 | 0 | 0 | 0 | 0 | 109.4 | Q362 H371 | Q362-S388 PolarHBondContact NE2-O 3.17Å; Q362-S388 PolarHBondContact OE1-O 2.79Å; H371-S388 WeakPolarHBondContact ND1-CB 3.4Å | ||
| 389 | P | 97.2 | Very high | 95.3 | Very high | 18 Ų | 18 | 85 Ų | 85 | 12% | 0.117 | 51% | 0.508 | C | S | . | . | trans | -63.2 | 143.6 | 173.9 | 28.3 | -34.6 | 0 | 0 | 0 | 110.6 | D366 G391 L393 | D366-P389 WeakPolarHBondContact OD1-CA 3.47Å; P389-G391 VanDerWaalsContact C-N 3.35Å; P389-L393 HydrophobicContact CG-CD1 3.8Å | ||
| 390 | H | 95.7 | Very high | 95.2 | Very high | 153 Ų | 153 | 91.8 Ų | 91.8 | 71% | 0.708 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -77 | -25.7 | 167.9 | -60.5 | 98.4 | 0 | 0 | 0 | 112 | Q362 D366 | Q362-H390 VanDerWaalsContact CD-CE1 3.47Å; Q362-H390 PolarHBondContact NE2-CE1 2.95Å; Q362-H390 PolarHBondContact NE2-ND1 3.37Å; D366-H390 IonicContact OD1-CG 3.99Å; D366-H390 PolarHBondContact OD1-N 2.98Å; D366-H390 IonicContact OD1-ND1 3.39Å; D366-H390 PolarHBondContact OD1-ND1 3.27Å; D366-H390 IonicContact OD2-CE1 2.99Å; D366-H390 IonicContact OD2-ND1 3.6Å; D366-H390 PolarHBondContact OD2-ND1 3.22Å |
| 391 | G | 93.5 | Very high | 95 | Very high | 55 Ų | 55 | 94.1 Ų | 94.1 | 57% | 0.567 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -85.3 | -166.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P389 L393 | P389-G391 VanDerWaalsContact C-N 3.35Å; G391-L393 PolarHBondContact O-N 3.36Å |
| 392 | A | 92.7 | Very high | 94.9 | Very high | 96 Ų | 96 | 97.9 Ų | 97.9 | 79% | 0.793 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 129.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 393 | L | 94.9 | Very high | 94.8 | Very high | 86 Ų | 86 | 98.9 Ų | 98.9 | 45% | 0.45 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -69 | 130.5 | 170.9 | -173.8 | 73.7 | 0 | 0 | 0 | 109.5 | G369 H371 P389 G391 | G369-L393 CarbonylContact O-C 3.6Å; G369-L393 WeakPolarHBondContact O-CA 3.5Å; G369-L393 WeakPolarHBondContact O-CD1 3.33Å; H371-L393 VanDerWaalsContact CD2-CD1 3.49Å; H371-L393 WeakPolarHBondContact CD2-CD1 3.28Å; P389-L393 HydrophobicContact CG-CD1 3.8Å; G391-L393 PolarHBondContact O-N 3.36Å |
| 394 | S | 92.4 | Very high | 94.7 | Very high | 47 Ų | 47 | 99.2 Ų | 99.2 | 33% | 0.329 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 135.6 | 171.2 | -177.5 | 0 | 0 | 0 | 0 | 110 | G369 E396 | G369-S394 PolarHBondContact O-N 2.94Å; S394-E396 PolarHBondContact OG-N 3.27Å; S394-E396 VanDerWaalsContact OG-N 3.14Å; S394-E396 PolarHBondContact OG-O 2.81Å |
| 395 | K | 93.7 | Very high | 94.5 | Very high | 206 Ų | 206 | 103.9 Ų | 103.9 | 90% | 0.896 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -86.9 | -17.5 | 170.6 | -61.9 | -177.4 | -178.5 | 180 | 0 | 112.3 | ||
| 396 | E | 93.1 | Very high | 94.3 | Very high | 154 Ų | 154 | 104.3 Ų | 104.3 | 72% | 0.72 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -96.5 | 130.2 | -179 | -68.6 | 171.6 | -156.8 | 0 | 0 | 109.4 | S394 | S394-E396 PolarHBondContact OG-N 3.27Å; S394-E396 VanDerWaalsContact OG-N 3.14Å; S394-E396 PolarHBondContact OG-O 2.81Å |
| 397 | P | 93.5 | Very high | 94.2 | Very high | 115 Ų | 115 | 111.3 Ų | 111.3 | 75% | 0.747 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 161.5 | 174.4 | 32.5 | -35.2 | 0 | 0 | 0 | 111 | ||
| 398 | E | 93 | Very high | 94.1 | Very high | 99 Ų | 99 | 117.4 Ų | 117.4 | 46% | 0.463 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -71.3 | 141.9 | 170.4 | -61.3 | -167 | 130.7 | 0 | 0 | 110.7 | K368 L370 E400 | K368-E398 VanDerWaalsContact CD-OE1 3.26Å; K368-E398 WeakPolarHBondContact CD-OE1 3.38Å; K368-E398 WeakPolarHBondContact CE-OE1 3.29Å; K368-E398 IonicContact NZ-OE1 2.77Å; K368-E398 PolarHBondContact NZ-OE1 3.05Å; K368-E398 IonicContact NZ-OE2 2.97Å; K368-E398 PolarHBondContact NZ-OE2 3.49Å; L370-E398 HydrophobicContact CD1-CG 3.68Å; E398-E400 PolarHBondContact O-N 2.93Å |
| 399 | P | 93.5 | Very high | 93.9 | Very high | 125 Ų | 125 | 117.1 Ų | 117.1 | 81% | 0.812 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 127.9 | 175.7 | 28 | -34 | 0 | 0 | 0 | 110.6 | P401 | P399-P401 VanDerWaalsContact O-CD 3.31Å; P399-P401 WeakPolarHBondContact O-CD 3.31Å |
| 400 | E | 93 | Very high | 93.8 | Very high | 190 Ų | 190 | 123.6 Ų | 123.6 | 89% | 0.888 | 66% | 0.664 | S | S | * | * | trans | -86.8 | 114.1 | 179.4 | -62 | -171.7 | 168.9 | 0 | 0 | 111 | E398 | E398-E400 PolarHBondContact O-N 2.93Š| ||
| 401 | P | 92.5 | Very high | 93.7 | Very high | 90 Ų | 90 | 119.2 Ų | 119.2 | 58% | 0.584 | 64% | 0.644 | S | S | * | * | trans | -83.6 | 134.2 | 175.5 | 32.8 | -32.8 | 0 | 0 | 0 | 111.1 | P399 V403 | P399-P401 VanDerWaalsContact O-CD 3.31Å; P399-P401 WeakPolarHBondContact O-CD 3.31Å; P401-V403 PolarHBondContact O-N 3.07Å; P401-V403 VanDerWaalsContact O-N 3.16Å | ||
| 402 | E | 93.5 | Very high | 93.7 | Very high | 201 Ų | 201 | 118 Ų | 118 | 94% | 0.939 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -53.4 | -37.1 | 176.4 | -62 | -178.4 | 173.2 | 0 | 0 | 113 | ||
| 403 | V | 95.2 | Very high | 93.8 | Very high | 123 Ų | 123 | 114.8 Ų | 114.8 | 75% | 0.745 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -137.9 | 116.4 | 177.7 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | P401 | P401-V403 PolarHBondContact O-N 3.07Å; P401-V403 VanDerWaalsContact O-N 3.16Å |
| 404 | P | 93.7 | Very high | 93.8 | Very high | 84 Ų | 84 | 114.6 Ų | 114.6 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | trans | -82 | 130.7 | 179.5 | 30.6 | -33.8 | 0 | 0 | 0 | 112.6 | T406 | P404-T406 PolarHBondContact O-N 3.18Š| ||
| 405 | D | 94.8 | Very high | 93.9 | Very high | 148 Ų | 148 | 114 Ų | 114 | 79% | 0.791 | 59% | 0.589 | S | S | * | * | trans | -73.5 | 56.6 | 171.7 | -176.1 | 30.8 | 0 | 0 | 0 | 112.5 | ||||
| 406 | T | 92.7 | Very high | 93.9 | Very high | 94 Ų | 94 | 111.6 Ų | 111.6 | 58% | 0.577 | 58% | 0.582 | S | S | * | * | trans | -93 | 122.7 | 175.9 | -65.3 | 0 | 0 | 0 | 0 | 110.2 | P404 L408 | P404-T406 PolarHBondContact O-N 3.18Å; T406-L408 HydrophobicContact CG2-CD2 4.41Å; T406-L408 WeakPolarHBondContact O-CG 3.48Å; T406-L408 PolarHBondContact O-N 3.42Å | ||
| 407 | K | 94.9 | Very high | 94.1 | Very high | 190 Ų | 190 | 109.6 Ų | 109.6 | 83% | 0.826 | 57% | 0.573 | S | S | * | * | trans | -70.3 | 89.9 | -177.5 | -70 | 174.4 | -177.9 | 167.5 | 0 | 112 | ||||
| 408 | L | 94.5 | Very high | 94.1 | Very high | 136 Ų | 136 | 107 Ų | 107 | 71% | 0.712 | 57% | 0.567 | S | S | * | * | trans | -65 | 147.5 | 179.9 | -54.6 | -175.8 | 0 | 0 | 0 | 112.8 | T406 V413 | T406-L408 HydrophobicContact CG2-CD2 4.41Å; T406-L408 WeakPolarHBondContact O-CG 3.48Å; T406-L408 PolarHBondContact O-N 3.42Å; L408-V413 HydrophobicContact CB-CG2 4.16Å; L408-V413 HydrophobicContact CD1-CG2 4.13Å | ||
| 409 | D | 94.1 | Very high | 94.2 | Very high | 49 Ų | 49 | 106.8 Ų | 106.8 | 26% | 0.262 | 57% | 0.568 | S | S | . | * | trans | -98.3 | 120.1 | 170.9 | -177.9 | 91.8 | 0 | 0 | 0 | 110.8 | R306 Q411 D412 V413 | R306-D409 VanDerWaalsContact CZ-CB 3.41Å; R306-D409 VanDerWaalsContact CZ-CG 3.49Å; R306-D409 IonicContact CZ-OD1 3.6Å; R306-D409 IonicContact CZ-OD2 2.79Å; R306-D409 IonicContact NE-OD1 2.78Å; R306-D409 IonicContact NH1-OD1 3.21Å; R306-D409 IonicContact NH1-OD2 2.82Å; R306-D409 PolarHBondContact NH1-OD2 2.86Å; D409-Q411 PolarHBondContact O-N 2.67Å; D409-Q411 WeakPolarHBondContact OD2-CB 3.04Å; D409-Q411 WeakPolarHBondContact OD2-CG 3.26Å; D409-Q411 PolarHBondContact OD2-N 2.65Å; D409-D412 PolarHBondContact O-N 2.72Å; D409-V413 PolarHBondContact O-N 3.48Å | ||
| 410 | W | 94.8 | Very high | 94.1 | Very high | 155 Ų | 155 | 103 Ų | 103 | 59% | 0.587 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -55.4 | -26.1 | -177.9 | 176.3 | -132.6 | 0 | 0 | 0 | 114.1 | D412 V413 K414 | W410-D412 VanDerWaalsContact C-N 3.26Å; W410-D412 PolarHBondContact O-N 3.16Å; W410-V413 HydrophobicContact CE3-CB 4.03Å; W410-V413 HydrophobicContact CE3-CG1 4.12Å; W410-V413 HydrophobicContact CZ3-CB 4.35Å; W410-V413 HydrophobicContact CZ3-CG1 3.98Å; W410-K414 HydrophobicContact CD2-CB 4.26Å; W410-K414 HydrophobicContact CE3-CB 4.34Å; W410-K414 HydrophobicContact CH2-CB 4.3Å; W410-K414 HydrophobicContact CH2-CG 4.46Å; W410-K414 HydrophobicContact CZ2-CB 4.24Å; W410-K414 HydrophobicContact CZ2-CD 3.92Å; W410-K414 HydrophobicContact CZ2-CG 4.22Å; W410-K414 HydrophobicContact CZ3-CB 4.35Å; W410-K414 WeakPolarHBondContact O-CB 3.42Å; W410-K414 PolarHBondContact O-N 2.82Å |
| 411 | Q | 93.3 | Very high | 94 | Very high | 61 Ų | 61 | 105.2 Ų | 105.2 | 29% | 0.285 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -74.7 | -18.8 | -179.2 | -44.8 | 178.1 | 9.6 | 0 | 0 | 113 | D409 | D409-Q411 PolarHBondContact O-N 2.67Å; D409-Q411 WeakPolarHBondContact OD2-CB 3.04Å; D409-Q411 WeakPolarHBondContact OD2-CG 3.26Å; D409-Q411 PolarHBondContact OD2-N 2.65Å |
| 412 | D | 93.6 | Very high | 94.1 | Very high | 28 Ų | 28 | 104.1 Ų | 104.1 | 15% | 0.15 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -91.7 | -45.2 | 173.3 | -72.5 | -27.5 | 0 | 0 | 0 | 111.1 | R306 K308 D409 W410 K414 A415 M416 | R306-D412 IonicContact CZ-OD2 3.48Å; R306-D412 VanDerWaalsContact CZ-OD2 3.23Å; R306-D412 VanDerWaalsContact NH1-CG 3.35Å; R306-D412 IonicContact NH1-OD1 3.9Å; R306-D412 IonicContact NH1-OD2 3.51Å; R306-D412 PolarHBondContact NH1-OD2 2.91Å; R306-D412 IonicContact NH2-OD2 2.67Å; R306-D412 PolarHBondContact NH2-OD2 2.8Å; K308-D412 VanDerWaalsContact CE-OD2 3.29Å; K308-D412 WeakPolarHBondContact CE-OD2 3.47Å; K308-D412 IonicContact NZ-OD1 3.63Å; K308-D412 PolarHBondContact NZ-OD1 3.09Å; K308-D412 IonicContact NZ-OD2 2.67Å; K308-D412 PolarHBondContact NZ-OD2 3.29Å; D409-D412 PolarHBondContact O-N 2.72Å; W410-D412 VanDerWaalsContact C-N 3.26Å; W410-D412 PolarHBondContact O-N 3.16Å; D412-K414 VanDerWaalsContact C-N 3.31Å; D412-K414 PolarHBondContact O-N 3.06Å; D412-A415 CarbonylContact O-C 3.52Å; D412-A415 WeakPolarHBondContact O-CA 3.37Å; D412-A415 VanDerWaalsContact O-CB 3.26Å; D412-A415 WeakPolarHBondContact O-CB 3.44Å; D412-A415 PolarHBondContact O-N 2.96Å; D412-M416 WeakPolarHBondContact O-CG 3.13Å; D412-M416 PolarHBondContact O-N 3.12Å |
| 413 | V | 95.6 | Very high | 94.1 | Very high | 29 Ų | 29 | 100.1 Ų | 100.1 | 18% | 0.176 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -54.9 | -48.7 | 173.3 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | L408 D409 W410 A415 M416 Q417 | L408-V413 HydrophobicContact CB-CG2 4.16Å; L408-V413 HydrophobicContact CD1-CG2 4.13Å; D409-V413 PolarHBondContact O-N 3.48Å; W410-V413 HydrophobicContact CE3-CB 4.03Å; W410-V413 HydrophobicContact CE3-CG1 4.12Å; W410-V413 HydrophobicContact CZ3-CB 4.35Å; W410-V413 HydrophobicContact CZ3-CG1 3.98Å; V413-A415 PolarHBondContact O-N 2.92Å; V413-M416 HydrophobicContact CG2-CE 4.45Å; V413-M416 PolarHBondContact O-N 2.97Å; V413-Q417 WeakPolarHBondContact O-CG 3.03Å; V413-Q417 PolarHBondContact O-N 2.86Å |
| 414 | K | 95.5 | Very high | 94.1 | Very high | 82 Ų | 82 | 103.5 Ų | 103.5 | 36% | 0.357 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64 | -20.3 | 174.8 | -165.3 | 174.7 | -178.8 | 162.1 | 0 | 113.6 | W410 D412 L419 K420 | W410-K414 HydrophobicContact CD2-CB 4.26Å; W410-K414 HydrophobicContact CE3-CB 4.34Å; W410-K414 HydrophobicContact CH2-CB 4.3Å; W410-K414 HydrophobicContact CH2-CG 4.46Å; W410-K414 HydrophobicContact CZ2-CB 4.24Å; W410-K414 HydrophobicContact CZ2-CD 3.92Å; W410-K414 HydrophobicContact CZ2-CG 4.22Å; W410-K414 HydrophobicContact CZ3-CB 4.35Å; W410-K414 WeakPolarHBondContact O-CB 3.42Å; W410-K414 PolarHBondContact O-N 2.82Å; D412-K414 VanDerWaalsContact C-N 3.31Å; D412-K414 PolarHBondContact O-N 3.06Å; K414-L419 HydrophobicContact CD-CB 4.45Å; K414-L419 WeakPolarHBondContact CE-O 3.49Å; K414-L419 HydrophobicContact CG-CB 3.59Å; K414-L419 CarbonylContact O-C 3.55Å; K414-L419 PolarHBondContact O-N 3.22Å; K414-K420 WeakPolarHBondContact O-CB 3.48Å; K414-K420 PolarHBondContact O-N 2.99Å |
| 415 | A | 93.6 | Very high | 93.8 | Very high | 36 Ų | 36 | 103.4 Ų | 103.4 | 30% | 0.298 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -80.9 | -45.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D412 V413 Q417 G418 K420 | D412-A415 CarbonylContact O-C 3.52Å; D412-A415 WeakPolarHBondContact O-CA 3.37Å; D412-A415 VanDerWaalsContact O-CB 3.26Å; D412-A415 WeakPolarHBondContact O-CB 3.44Å; D412-A415 PolarHBondContact O-N 2.96Å; V413-A415 PolarHBondContact O-N 2.92Å; A415-Q417 VanDerWaalsContact C-N 3.33Å; A415-Q417 PolarHBondContact O-N 3.49Å; A415-G418 PolarHBondContact O-N 2.83Å; A415-G418 VanDerWaalsContact O-N 3.13Å; A415-K420 HydrophobicContact CB-CB 4.44Å; A415-K420 HydrophobicContact CB-CD 3.55Å |
| 416 | M | 94.1 | Very high | 93.6 | Very high | 155 Ų | 155 | 102 Ų | 102 | 76% | 0.764 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.3 | -41.3 | 177.9 | -62.6 | -173.5 | -58.6 | 0 | 0 | 111.1 | D412 V413 G418 | D412-M416 WeakPolarHBondContact O-CG 3.13Å; D412-M416 PolarHBondContact O-N 3.12Å; V413-M416 HydrophobicContact CG2-CE 4.45Å; V413-M416 PolarHBondContact O-N 2.97Å; M416-G418 PolarHBondContact O-N 3.41Å; M416-G418 VanDerWaalsContact O-N 3.12Å |
| 417 | Q | 96.6 | Very high | 93.7 | Very high | 112 Ų | 112 | 101.2 Ų | 101.2 | 52% | 0.523 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 6 | 175.6 | -65.7 | 173.3 | -26.3 | 0 | 0 | 114.5 | V413 A415 L419 | V413-Q417 WeakPolarHBondContact O-CG 3.03Å; V413-Q417 PolarHBondContact O-N 2.86Å; A415-Q417 VanDerWaalsContact C-N 3.33Å; A415-Q417 PolarHBondContact O-N 3.49Å; Q417-L419 HydrophobicContact CB-CD1 4.11Å; Q417-L419 HydrophobicContact CB-CG 4.01Å; Q417-L419 PolarHBondContact O-N 3.21Å |
| 418 | G | 93.6 | Very high | 93.7 | Very high | 61 Ų | 61 | 102.4 Ų | 102.4 | 63% | 0.629 | 50% | 0.503 | S | S | * | . | S | Bend | trans | 68.2 | -9.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | A415 M416 K420 | A415-G418 PolarHBondContact O-N 2.83Å; A415-G418 VanDerWaalsContact O-N 3.13Å; M416-G418 PolarHBondContact O-N 3.41Å; M416-G418 VanDerWaalsContact O-N 3.12Å; G418-K420 PolarHBondContact O-N 3.42Å |
| 419 | L | 95.1 | Very high | 93.8 | Very high | 93 Ų | 93 | 104.9 Ų | 104.9 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | trans | -65.8 | -7.3 | -176.2 | -63.3 | 179.4 | 0 | 0 | 0 | 114.8 | K414 Q417 R421 | K414-L419 HydrophobicContact CD-CB 4.45Å; K414-L419 WeakPolarHBondContact CE-O 3.49Å; K414-L419 HydrophobicContact CG-CB 3.59Å; K414-L419 CarbonylContact O-C 3.55Å; K414-L419 PolarHBondContact O-N 3.22Å; Q417-L419 HydrophobicContact CB-CD1 4.11Å; Q417-L419 HydrophobicContact CB-CG 4.01Å; Q417-L419 PolarHBondContact O-N 3.21Å; L419-R421 VanDerWaalsContact C-N 3.33Å; L419-R421 PolarHBondContact O-N 3.33Å | ||
| 420 | K | 91 | Very high | 93.8 | Very high | 46 Ų | 46 | 108.1 Ų | 108.1 | 20% | 0.2 | 53% | 0.527 | C | S | . | . | trans | -83.1 | 65.1 | -177.2 | -173 | 179.1 | 164.5 | -171.2 | 0 | 112.7 | K414 A415 G418 S422 | K414-K420 WeakPolarHBondContact O-CB 3.48Å; K414-K420 PolarHBondContact O-N 2.99Å; A415-K420 HydrophobicContact CB-CB 4.44Å; A415-K420 HydrophobicContact CB-CD 3.55Å; G418-K420 PolarHBondContact O-N 3.42Å; K420-S422 PolarHBondContact O-N 3.38Å | ||
| 421 | R | 92.2 | Very high | 93.8 | Very high | 237 Ų | 237 | 105.7 Ų | 105.7 | 89% | 0.894 | 54% | 0.54 | S | S | * | . | trans | -65.5 | 117.4 | 172.9 | -60.2 | -178.6 | -176.9 | 176.2 | 0.8 | 110.6 | L419 | L419-R421 VanDerWaalsContact C-N 3.33Å; L419-R421 PolarHBondContact O-N 3.33Å | ||
| 422 | S | 93 | Very high | 93.5 | Very high | 67 Ų | 67 | 106 Ų | 106 | 47% | 0.469 | 55% | 0.546 | S | S | . | . | trans | -162.3 | 115.7 | 176.1 | 175.5 | 0 | 0 | 0 | 0 | 112 | K420 W424 F425 | K420-S422 PolarHBondContact O-N 3.38Å; S422-W424 PolarHBondContact O-N 3.32Å; S422-W424 VanDerWaalsContact O-N 3.08Å; S422-F425 WeakPolarHBondContact O-CB 3.41Å; S422-F425 PolarHBondContact O-N 2.78Å; S422-F425 VanDerWaalsContact O-N 3.13Å | ||
| 423 | V | 95.3 | Very high | 93.4 | Very high | 117 Ų | 117 | 110 Ų | 110 | 71% | 0.709 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -13.6 | -179.8 | -58.7 | 0 | 0 | 0 | 0 | 114.5 | L427 | V423-L427 WeakPolarHBondContact O-CD2 3.46Š|
| 424 | W | 93.6 | Very high | 93.3 | Very high | 194 Ų | 194 | 114.2 Ų | 114.2 | 74% | 0.735 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -7.8 | -179.9 | -56.1 | 106.5 | 0 | 0 | 0 | 113.7 | S422 L427 | S422-W424 PolarHBondContact O-N 3.32Å; S422-W424 VanDerWaalsContact O-N 3.08Å; W424-L427 HydrophobicContact CE3-CD1 3.86Å; W424-L427 HydrophobicContact CZ3-CD1 4.49Å |
| 425 | F | 87.8 | Confident | 93.2 | Very high | 81 Ų | 81 | 116 Ų | 116 | 36% | 0.355 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -84.8 | 148.6 | 177.8 | -166.4 | -121.1 | 0 | 0 | 0 | 110.3 | S422 L427 | S422-F425 WeakPolarHBondContact O-CB 3.41Å; S422-F425 PolarHBondContact O-N 2.78Å; S422-F425 VanDerWaalsContact O-N 3.13Å; F425-L427 PolarHBondContact O-N 3.38Å |
| 426 | N | 90 | Very high | 93.2 | Very high | 118 Ų | 118 | 120.7 Ų | 120.7 | 63% | 0.631 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 51.9 | 15.9 | 179.3 | -64.8 | -6.8 | 0 | 0 | 0 | 117.9 | K428 | N426-K428 PolarHBondContact O-N 2.82Š|
| 427 | L | 95.2 | Very high | 93.1 | Very high | 78 Ų | 78 | 118.6 Ų | 118.6 | 41% | 0.408 | 61% | 0.608 | S | S | . | * | trans | -56.1 | 135.8 | 171 | -69.2 | 176.8 | 0 | 0 | 0 | 112.1 | V423 W424 F425 R429 | V423-L427 WeakPolarHBondContact O-CD2 3.46Å; W424-L427 HydrophobicContact CE3-CD1 3.86Å; W424-L427 HydrophobicContact CZ3-CD1 4.49Å; F425-L427 PolarHBondContact O-N 3.38Å; L427-R429 WeakPolarHBondContact O-CG 3.44Å | ||
| 428 | K | 96.1 | Very high | 92.9 | Very high | 215 Ų | 215 | 119 Ų | 119 | 94% | 0.935 | 61% | 0.614 | S | S | * | * | trans | -56.9 | 133.5 | 171.6 | -63.9 | -177 | 179.6 | -178.6 | 0 | 110.2 | N426 | N426-K428 PolarHBondContact O-N 2.82Š| ||
| 429 | R | 95.4 | Very high | 92.8 | Very high | 188 Ų | 188 | 123.1 Ų | 123.1 | 71% | 0.709 | 61% | 0.613 | S | S | * | * | trans | -142.2 | 156.2 | -173.6 | -74 | 167.9 | -165.1 | -111.9 | -0.6 | 109.7 | L427 | L427-R429 WeakPolarHBondContact O-CG 3.44Š| ||
| 430 | P | 95.7 | Very high | 92.7 | Very high | 117 Ų | 117 | 125.5 Ų | 125.5 | 76% | 0.76 | 62% | 0.622 | S | S | * | * | trans | -64.6 | 158.4 | 171.8 | 29.7 | -36.5 | 0 | 0 | 0 | 111.4 | ||||
| 431 | A | 93.2 | Very high | 92.8 | Very high | 104 Ų | 104 | 132.1 Ų | 132.1 | 86% | 0.86 | 66% | 0.657 | S | S | * | * | trans | -58.2 | 153.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 432 | T | 86.4 | Confident | 92.9 | Very high | 69 Ų | 69 | 122.5 Ų | 122.5 | 42% | 0.423 | 64% | 0.636 | S | S | . | * | trans | -138.2 | 0 | -167.9 | 57.8 | 0 | 0 | 0 | 0 | 112.2 | L316 I323 R327 | L316-T432 PolarHBondContact N-OG1 2.77Å; I323-T432 HydrophobicContact CD1-CG2 4.17Å; R327-T432 PolarHBondContact NE-OXT 2.85Å; R327-T432 PolarHBondContact NH2-OXT 3.14Å |
Retrieved 432 of 432 residues in 775.3 ms
(Link to these results)