| 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 | 40.1 | Very low | 39.5 | Very low | 227 Ų | 227 | 144.2 Ų | 144.2 | 100% | 1.118 | 85% | 0.849 | S | S | * | * | 0 | 94 | 0 | -65.4 | 170.3 | 176.8 | 0 | 0 | 105 | |||||
| 2 | N | 34.7 | Very low | 39.6 | Very low | 167 Ų | 167 | 143 Ų | 143 | 89% | 0.893 | 85% | 0.848 | S | S | * | * | cis | 72.9 | 122.2 | 41.3 | -51.3 | 43.5 | 0 | 0 | 0 | 111 | ||||
| 3 | G | 45.5 | Very low | 39.1 | Very low | 83 Ų | 83 | 140.5 Ų | 140.5 | 86% | 0.856 | 84% | 0.841 | S | S | * | * | cis | -167.5 | -162.9 | 3.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 4 | S | 35.9 | Very low | 38.9 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 75% | 0.748 | 83% | 0.831 | S | S | * | * | trans | -129.9 | 149.3 | -170.4 | 152.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 5 | V | 48.1 | Very low | 38.6 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | trans | -139.6 | 131.1 | 166.3 | -179.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 6 | Q | 36.4 | Very low | 38.6 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 77% | 0.766 | 83% | 0.825 | S | S | * | * | trans | -108 | 161 | 164.5 | -56.1 | 170.9 | -77.2 | 0 | 0 | 109.1 | ||||
| 7 | M | 44.4 | Very low | 38.4 | Very low | 184 Ų | 184 | 136.8 Ų | 136.8 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | trans | -151.3 | 159.9 | 147.8 | -93.5 | -52.2 | 167 | 0 | 0 | 111.2 | ||||
| 8 | S | 35.3 | Very low | 38.3 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -150.9 | -177 | -170 | -54.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 9 | A | 38.5 | Very low | 38.4 | Very low | 96 Ų | 96 | 136.1 Ų | 136.1 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | trans | 91.5 | 156.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 10 | S | 37.6 | Very low | 38.4 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | cis | -170.9 | 161.5 | -30.6 | 55.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 11 | F | 37.7 | Very low | 38.5 | Very low | 198 Ų | 198 | 135.3 Ų | 135.3 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | trans | -57.4 | 159.6 | 173 | -90 | -81.4 | 0 | 0 | 0 | 115.5 | ||||
| 12 | P | 41.4 | Very low | 38.5 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | -153.2 | -169.1 | 76.4 | 41.9 | -19.6 | 0 | 0 | 0 | 118.6 | |||||
| 13 | C | 32.3 | Very low | 38.9 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 75% | 0.75 | 78% | 0.777 | S | S | * | * | trans | -106.7 | 159 | -166.3 | 168.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 14 | S | 36.6 | Very low | 38.8 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | 171.6 | 116 | 133.2 | -78.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 15 | T | 33.8 | Very low | 38.9 | Very low | 118 Ų | 118 | 133 Ų | 133 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | trans | 65.7 | 146.6 | 130.6 | 67.4 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 16 | T | 38.7 | Very low | 38.6 | Very low | 137 Ų | 137 | 134 Ų | 134 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | trans | 92.6 | 157.2 | 152.8 | 73.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 17 | N | 36.6 | Very low | 39 | Very low | 142 Ų | 142 | 132 Ų | 132 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | -167.3 | 156.3 | -51.1 | -159.6 | -7.7 | 0 | 0 | 0 | 111.7 | |||||
| 18 | C | 36.1 | Very low | 38.7 | Very low | 84 Ų | 84 | 131.1 Ų | 131.1 | 57% | 0.568 | 77% | 0.772 | S | S | * | * | trans | 81.5 | 127.7 | 147.1 | -90.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 19 | K | 40.5 | Very low | 39.3 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | 78 | 158.1 | 135.7 | -69.3 | 173.8 | -176.7 | 177.3 | 0 | 120 | ||||
| 20 | Q | 38.8 | Very low | 39.6 | Very low | 176 Ų | 176 | 139 Ų | 139 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | cis | 175.8 | 143.6 | -34.1 | -131.8 | 176.4 | -19.5 | 0 | 0 | 107 | ||||
| 21 | G | 39 | Very low | 39.7 | Very low | 79 Ų | 79 | 143.8 Ų | 143.8 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | trans | 166.5 | 119 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 22 | D | 40.1 | Very low | 39.9 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | -96.8 | 152.9 | -179 | -53.5 | -95.1 | 0 | 0 | 0 | 114.1 | ||||
| 23 | N | 44.5 | Very low | 39.7 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | 161.6 | 124.9 | 106.7 | -86.5 | -71 | 0 | 0 | 0 | 115.5 | |||||
| 24 | K | 42 | Very low | 39.9 | Very low | 176 Ų | 176 | 140.8 Ų | 140.8 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | 29.8 | 130.1 | 127.8 | -48.1 | 171.3 | -171.5 | 121.6 | 0 | 117.9 | |||||
| 25 | S | 39 | Very low | 40 | Very low | 102 Ų | 102 | 144.8 Ų | 144.8 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | 173.3 | 162.1 | 60.7 | 47.5 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 26 | L | 41.8 | Very low | 40 | Very low | 162 Ų | 162 | 148.3 Ų | 148.3 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | 58.2 | 104.9 | 149 | -69.5 | 161 | 0 | 0 | 0 | 122 | ||||
| 27 | S | 43.4 | Very low | 39.8 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | 168 | 168.7 | 111.6 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 28 | L | 38.8 | Very low | 39.8 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -124.8 | 176.9 | -170.5 | -71.3 | 165.5 | 0 | 0 | 0 | 110.5 | ||||
| 29 | P | 47.8 | Very low | 39.9 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 71% | 0.708 | 81% | 0.808 | S | S | * | * | -133.9 | 165 | -50.8 | 38.4 | -24.1 | 0 | 0 | 0 | 112.8 | |||||
| 30 | R | 44.6 | Very low | 39.9 | Very low | 257 Ų | 257 | 143.2 Ų | 143.2 | 97% | 0.97 | 81% | 0.807 | S | S | * | * | trans | -159.7 | 171.9 | 160.8 | -115.1 | 164.5 | -167.7 | -150.4 | 1.2 | 114.4 | ||||
| 31 | K | 41.3 | Very low | 39.7 | Very low | 214 Ų | 214 | 142 Ų | 142 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | trans | -88 | 149.4 | -162.3 | -53.9 | 176.8 | 179.8 | -177.9 | 0 | 114.5 | ||||
| 32 | G | 39.9 | Very low | 39.5 | Very low | 68 Ų | 68 | 146.5 Ų | 146.5 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | 155.2 | 109.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 33 | I | 39.3 | Very low | 39.4 | Very low | 165 Ų | 165 | 146 Ų | 146 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | 79.3 | 93.3 | 65.1 | -60.4 | 174 | 0 | 0 | 0 | 113.7 | |||||
| 34 | L | 34.8 | Very low | 39.1 | Very low | 144 Ų | 144 | 147.8 Ų | 147.8 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | trans | 65.3 | 127.6 | 134 | -159.3 | 71.4 | 0 | 0 | 0 | 122.8 | ||||
| 35 | K | 38.5 | Very low | 38.8 | Very low | 185 Ų | 185 | 145.2 Ų | 145.2 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 63.9 | 147.3 | 165.9 | -74.7 | 168.5 | 178.6 | -177 | 0 | 115.1 | ||||
| 36 | Q | 35.3 | Very low | 38.6 | Very low | 192 Ų | 192 | 145 Ų | 145 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | cis | -138.2 | -175.8 | 35.3 | -72.2 | 174 | -46.1 | 0 | 0 | 114.4 | ||||
| 37 | S | 34.1 | Very low | 38.3 | Very low | 116 Ų | 116 | 147.4 Ų | 147.4 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -109.9 | 173.4 | 177.2 | -45.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 38 | A | 37.1 | Very low | 37.9 | Very low | 107 Ų | 107 | 148.6 Ų | 148.6 | 88% | 0.884 | 80% | 0.795 | S | S | * | * | trans | 67.4 | 159.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 39 | S | 38.5 | Very low | 37.9 | Very low | 119 Ų | 119 | 148.3 Ų | 148.3 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | cis | -130.5 | -167.8 | 1.4 | 59.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 40 | A | 39.2 | Very low | 37.2 | Very low | 90 Ų | 90 | 147.7 Ų | 147.7 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | cis | -153.7 | -173.2 | 6.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 41 | N | 35.3 | Very low | 36.9 | Very low | 152 Ų | 152 | 146 Ų | 146 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -71.3 | 152.9 | 168.8 | -55.3 | -58.5 | 0 | 0 | 0 | 112.8 | ||||
| 42 | Q | 34.6 | Very low | 36.5 | Very low | 173 Ų | 173 | 142.5 Ų | 142.5 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | 177.4 | 144.4 | 118.3 | -98.8 | 177.1 | 32.3 | 0 | 0 | 116.2 | |||||
| 43 | L | 38.3 | Very low | 36.4 | Very low | 130 Ų | 130 | 150.5 Ų | 150.5 | 68% | 0.681 | 79% | 0.786 | S | S | * | * | trans | 67.6 | 109.6 | 144.7 | -63.6 | 168.9 | 0 | 0 | 0 | 123.3 | ||||
| 44 | E | 37.2 | Very low | 36.2 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 73% | 0.729 | 78% | 0.78 | S | S | * | * | 63.9 | 100.2 | 120.3 | -66.5 | -171 | 145.2 | 0 | 0 | 124.2 | |||||
| 45 | T | 36.5 | Very low | 36.3 | Very low | 121 Ų | 121 | 151.3 Ų | 151.3 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | 63.6 | 149.6 | 123.9 | 81.4 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 46 | S | 34.6 | Very low | 35.9 | Very low | 99 Ų | 99 | 147.3 Ų | 147.3 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | 92.6 | 106.5 | 143.7 | -59.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 47 | R | 35.9 | Very low | 36.1 | Very low | 212 Ų | 212 | 145.8 Ų | 145.8 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | 75.6 | 118.2 | 135.4 | -71.1 | -171.1 | 141.4 | 115.1 | 3.5 | 121.5 | ||||
| 48 | E | 34.6 | Very low | 36.5 | Very low | 147 Ų | 147 | 145.8 Ų | 145.8 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | 47.7 | 105 | 119.9 | -54.3 | 171 | 116.5 | 0 | 0 | 118.3 | |||||
| 49 | L | 39.2 | Very low | 37.1 | Very low | 159 Ų | 159 | 146.4 Ų | 146.4 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | 172.3 | 125 | 105.9 | -90.4 | 167.5 | 0 | 0 | 0 | 114.9 | |||||
| 50 | S | 33 | Very low | 37 | Very low | 96 Ų | 96 | 147.3 Ų | 147.3 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | trans | 51.7 | 134.9 | 134.7 | -64.5 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 51 | R | 37 | Very low | 36.8 | Very low | 222 Ų | 222 | 153.1 Ų | 153.1 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | trans | 84.2 | 112.1 | 139.9 | -82.1 | 178.4 | 167.3 | 147 | 0 | 121.7 | ||||
| 52 | D | 33.7 | Very low | 37.2 | Very low | 139 Ų | 139 | 153.5 Ų | 153.5 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | 37.3 | 114.7 | 115.8 | -63.8 | -53.4 | 0 | 0 | 0 | 119.9 | |||||
| 53 | R | 37.9 | Very low | 37.4 | Very low | 237 Ų | 237 | 150.2 Ų | 150.2 | 89% | 0.894 | 76% | 0.763 | S | S | * | * | -171.3 | 107.2 | 114.8 | -104 | 162.7 | 176.5 | -170.7 | -1.6 | 115.4 | |||||
| 54 | S | 34.3 | Very low | 37.5 | Very low | 102 Ų | 102 | 152.1 Ų | 152.1 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | 45.6 | 126.4 | 118.7 | -78.9 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 55 | R | 37.1 | Very low | 37.5 | Very low | 223 Ų | 223 | 149.2 Ų | 149.2 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | trans | 82.8 | 115 | 130.6 | -70.7 | 174.6 | 171.7 | -119.4 | -0.8 | 122.1 | ||||
| 56 | S | 31.5 | Very low | 37.8 | Very low | 101 Ų | 101 | 148.9 Ų | 148.9 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | 65.2 | 155.4 | 132.6 | 66.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 57 | L | 39.4 | Very low | 38 | Very low | 161 Ų | 161 | 150.2 Ų | 150.2 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | cis | -151.3 | 173.7 | 38.6 | -76.5 | 161.4 | 0 | 0 | 0 | 112.8 | ||||
| 58 | S | 41 | Very low | 38.4 | Very low | 116 Ų | 116 | 147.5 Ų | 147.5 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | -117.5 | 150.5 | 164.4 | -47.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 59 | P | 49.9 | Very low | 38.7 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -116.5 | 133.6 | 152 | 13.5 | 7.2 | 0 | 0 | 0 | 110.4 | ||||
| 60 | N | 36.1 | Very low | 38.8 | Very low | 138 Ų | 138 | 145 Ų | 145 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | 64.2 | 102.2 | 63.9 | -149.9 | 61.3 | 0 | 0 | 0 | 110.7 | |||||
| 61 | R | 36.8 | Very low | 39.2 | Very low | 212 Ų | 212 | 146 Ų | 146 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | 72 | 109.9 | 55.4 | -165 | -169.8 | -166.2 | -171.9 | 6.4 | 112.7 | |||||
| 62 | D | 41.9 | Very low | 39.6 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -139.4 | 158 | 169.3 | -101.3 | -47.9 | 0 | 0 | 0 | 111.5 | ||||
| 63 | V | 38.7 | Very low | 40.1 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 62% | 0.624 | 77% | 0.772 | S | S | * | * | trans | -146.4 | 126.1 | -171.3 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 64 | I | 41.8 | Very low | 40.3 | Very low | 171 Ų | 171 | 138 Ų | 138 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | trans | -134.9 | 146 | 163.9 | -60 | -176.2 | 0 | 0 | 0 | 108.7 | ||||
| 65 | S | 37.4 | Very low | 40.4 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | trans | -118.3 | -163.7 | -168.6 | -54 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 66 | S | 42.2 | Very low | 40.4 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | 88.8 | 144.3 | 173.5 | 77.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 67 | D | 37.9 | Very low | 40.9 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 68% | 0.679 | 76% | 0.756 | S | S | * | * | cis | -165.1 | 170.4 | -35.7 | -142.4 | -50.7 | 0 | 0 | 0 | 109.5 | ||||
| 68 | H | 44.2 | Very low | 40.9 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | trans | 69.3 | 152.5 | 160.9 | -58.3 | -4.9 | 0 | 0 | 0 | 116.2 | ||||
| 69 | T | 41.9 | Very low | 40.7 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | cis | -158.8 | 156.8 | -2.3 | 3.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 70 | V | 41.9 | Very low | 40.1 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | trans | 73.3 | 140.5 | 152 | 173.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 71 | V | 40.8 | Very low | 40.3 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 70% | 0.703 | 75% | 0.747 | S | S | * | * | trans | -117.9 | 165.8 | 177.8 | -152.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 72 | P | 45.6 | Very low | 40.3 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | -143.4 | 139.1 | 106.8 | 35.9 | -21.4 | 0 | 0 | 0 | 116.3 | |||||
| 73 | K | 42.8 | Very low | 40.1 | Very low | 186 Ų | 186 | 136 Ų | 136 | 81% | 0.809 | 74% | 0.738 | S | S | * | * | trans | -64.8 | 165.1 | 153.3 | -75.7 | 178 | 179.6 | 176.3 | 0 | 109.3 | ||||
| 74 | P | 42.7 | Very low | 39.9 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | cis | -143.2 | -150.2 | 37.4 | 35.3 | -8 | 0 | 0 | 0 | 112.2 | ||||
| 75 | S | 37.7 | Very low | 39.8 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | cis | -172.5 | 161.8 | 13.8 | -147.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 76 | V | 35.7 | Very low | 39.6 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 68% | 0.679 | 75% | 0.751 | S | S | * | * | trans | 56.4 | 130.9 | 134.6 | 148.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 77 | R | 41.6 | Very low | 39.3 | Very low | 192 Ų | 192 | 143.4 Ų | 143.4 | 73% | 0.725 | 76% | 0.756 | S | S | * | * | cis | -166.7 | 162.7 | 21.4 | -125.5 | 171.4 | -156.7 | -173.4 | 4.9 | 111.9 | ||||
| 78 | Q | 40.6 | Very low | 39.1 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 64% | 0.64 | 75% | 0.752 | S | S | * | * | trans | 42.4 | 118.3 | 143.8 | -69.2 | 156.7 | 6.9 | 0 | 0 | 118.9 | ||||
| 79 | S | 36.2 | Very low | 38.9 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | cis | 59.8 | 106 | 42.8 | 92.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 80 | K | 36.8 | Very low | 38.7 | Very low | 180 Ų | 180 | 140 Ų | 140 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | trans | 161.7 | 149.9 | 141.9 | -91.1 | 157.8 | -174.6 | 178.4 | 0 | 113.3 | ||||
| 81 | K | 42 | Very low | 38.4 | Very low | 194 Ų | 194 | 146.5 Ų | 146.5 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | 69.9 | 142.4 | 170 | -58.7 | 164.6 | -176.7 | 179.1 | 0 | 115.5 | ||||
| 82 | S | 35.6 | Very low | 38.1 | Very low | 94 Ų | 94 | 144.5 Ų | 144.5 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | cis | 131.4 | 136.5 | -17.4 | 67.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 83 | K | 38.7 | Very low | 37.7 | Very low | 187 Ų | 187 | 147.9 Ų | 147.9 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | 74.3 | 120.5 | 176.4 | -54.1 | -177.8 | 176.5 | -174.3 | 0 | 113.2 | ||||
| 84 | I | 34.2 | Very low | 37.5 | Very low | 158 Ų | 158 | 145.9 Ų | 145.9 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | 62.4 | 110.5 | 62.1 | -58.2 | 168.7 | 0 | 0 | 0 | 108.9 | |||||
| 85 | P | 40.2 | Very low | 37.3 | Very low | 125 Ų | 125 | 145.3 Ų | 145.3 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | -141 | 178.8 | 77.3 | 40.9 | -25.3 | 0 | 0 | 0 | 117.3 | |||||
| 86 | K | 31.4 | Very low | 37.6 | Very low | 184 Ų | 184 | 146.6 Ų | 146.6 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | -73.9 | 143.8 | 179.7 | -54.3 | 173 | 178 | -177.8 | 0 | 112.9 | ||||
| 87 | L | 36.6 | Very low | 37.9 | Very low | 172 Ų | 172 | 147.8 Ų | 147.8 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | trans | -147.7 | 114.3 | 149.8 | -72.5 | 174.8 | 0 | 0 | 0 | 105.3 | ||||
| 88 | S | 33.2 | Very low | 37.8 | Very low | 87 Ų | 87 | 145.7 Ų | 145.7 | 61% | 0.608 | 78% | 0.781 | S | S | * | * | cis | 88.3 | 58.5 | 10.1 | 92.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 89 | V | 40.2 | Very low | 37.8 | Very low | 141 Ų | 141 | 146.1 Ų | 146.1 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -144.8 | 147.8 | 154.6 | -172.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 90 | T | 37.5 | Very low | 38 | Very low | 102 Ų | 102 | 147 Ų | 147 | 63% | 0.626 | 78% | 0.78 | S | S | * | * | -165.8 | 122 | -89.5 | 33.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 91 | W | 35.7 | Very low | 38.4 | Very low | 270 Ų | 270 | 147 Ų | 147 | 100% | 1.023 | 78% | 0.782 | S | S | * | * | trans | -172.5 | 113.3 | 151.7 | -65.6 | 116.1 | 0 | 0 | 0 | 107.7 | ||||
| 92 | G | 34.4 | Very low | 38.4 | Very low | 74 Ų | 74 | 144.5 Ų | 144.5 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | cis | -175.7 | 92.8 | -12.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 93 | E | 38.2 | Very low | 38.8 | Very low | 196 Ų | 196 | 148 Ų | 148 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | -97.5 | 106.9 | 170.2 | -74.4 | -173.6 | 136.4 | 0 | 0 | 110.6 | S95 | E93-S95 PolarHBondContact O-N 3.1Š| ||
| 94 | T | 38.8 | Very low | 39.1 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | -89.1 | 93 | 169.1 | 46.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 95 | S | 37.1 | Very low | 39.4 | Very low | 109 Ų | 109 | 146.5 Ų | 146.5 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -71.7 | 156.4 | 162.7 | -84.7 | 0 | 0 | 0 | 0 | 111.2 | E93 | E93-S95 PolarHBondContact O-N 3.1Š| ||
| 96 | P | 45.6 | Very low | 39.4 | Very low | 118 Ų | 118 | 149 Ų | 149 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | -89.1 | 156.5 | -155.9 | 34.7 | -37.4 | 0 | 0 | 0 | 114.1 | ||||
| 97 | D | 40.9 | Very low | 40.1 | Very low | 137 Ų | 137 | 147.4 Ų | 147.4 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | -155.5 | 139.6 | 137.3 | -129.5 | -18.4 | 0 | 0 | 0 | 113.6 | ||||
| 98 | Q | 39.8 | Very low | 40.3 | Very low | 147 Ų | 147 | 146.9 Ų | 146.9 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | trans | 45.5 | 123.3 | 149.5 | -79.9 | 161.4 | 75 | 0 | 0 | 123.8 | ||||
| 99 | Q | 40.3 | Very low | 41 | Very low | 147 Ų | 147 | 149.8 Ų | 149.8 | 69% | 0.687 | 78% | 0.783 | S | S | * | * | trans | 92.1 | 104.2 | 137 | -69.7 | -168.9 | -99 | 0 | 0 | 121.9 | ||||
| 100 | D | 40.9 | Very low | 41.1 | Very low | 122 Ų | 122 | 153 Ų | 153 | 65% | 0.652 | 78% | 0.78 | S | S | * | * | 81.5 | 139.5 | 122.1 | -50.7 | -16.2 | 0 | 0 | 0 | 121.2 | |||||
| 101 | E | 44.5 | Very low | 41.2 | Very low | 178 Ų | 178 | 155.6 Ų | 155.6 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | 66.3 | 137 | 169.4 | -59.4 | 173.7 | -158.2 | 0 | 0 | 118 | ||||
| 102 | D | 43.2 | Very low | 41.5 | Very low | 143 Ų | 143 | 153.5 Ų | 153.5 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | cis | -163.8 | 150.8 | -35.3 | -114.2 | -18.5 | 0 | 0 | 0 | 109.3 | ||||
| 103 | E | 43.9 | Very low | 41.9 | Very low | 166 Ų | 166 | 157.2 Ų | 157.2 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | 40 | 145.9 | 160.3 | -54.4 | -166.6 | 147.4 | 0 | 0 | 123.8 | ||||
| 104 | N | 45.4 | Very low | 41.9 | Very low | 134 Ų | 134 | 153.6 Ų | 153.6 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | trans | 78 | 113.6 | 155.6 | -60 | -29.2 | 0 | 0 | 0 | 122.6 | ||||
| 105 | E | 40.3 | Very low | 41.6 | Very low | 181 Ų | 181 | 151.7 Ų | 151.7 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | 83.1 | 157.7 | 120.3 | -149.2 | 149.4 | -136.7 | 0 | 0 | 120.7 | |||||
| 106 | E | 39.1 | Very low | 41.8 | Very low | 178 Ų | 178 | 153.5 Ų | 153.5 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | 49 | 119.6 | -176.3 | -68.1 | -174.7 | 109.2 | 0 | 0 | 118.4 | ||||
| 107 | L | 46.2 | Very low | 41.5 | Very low | 150 Ų | 150 | 155 Ų | 155 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | cis | 77.5 | 120.7 | 48.3 | -155.2 | 88.5 | 0 | 0 | 0 | 114.4 | ||||
| 108 | L | 41.3 | Very low | 41.2 | Very low | 160 Ų | 160 | 153.2 Ų | 153.2 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | 72.3 | 111.7 | 177.6 | -57 | 174.5 | 0 | 0 | 0 | 118.7 | ||||
| 109 | E | 46.5 | Very low | 41 | Very low | 149 Ų | 149 | 152.2 Ų | 152.2 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | trans | 175.5 | 111.7 | 131.5 | -106.5 | -158.2 | 169.8 | 0 | 0 | 113.9 | ||||
| 110 | R | 42.4 | Very low | 40.9 | Very low | 209 Ų | 209 | 150.6 Ų | 150.6 | 79% | 0.789 | 77% | 0.772 | S | S | * | * | 162.8 | 118.6 | 120.4 | -93.1 | 172.5 | -177.4 | 67.2 | 18.2 | 114.3 | |||||
| 111 | D | 39.7 | Very low | 41 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | -100.8 | 156.5 | 175.9 | -55.5 | -79.9 | 0 | 0 | 0 | 114 | ||||
| 112 | R | 42.2 | Very low | 40.9 | Very low | 226 Ų | 226 | 151.6 Ų | 151.6 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | 170.1 | 146.3 | 140.2 | -91.6 | 158.5 | -167.3 | -174 | 4.9 | 108.6 | ||||
| 113 | E | 42.7 | Very low | 40.8 | Very low | 151 Ų | 151 | 148.8 Ų | 148.8 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | cis | -150.5 | 122.8 | 15.9 | -138.2 | 144.5 | -123.9 | 0 | 0 | 112.8 | ||||
| 114 | T | 39.5 | Very low | 40.8 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | 40.5 | 121.5 | 151 | 54 | 0 | 0 | 0 | 0 | 123 | ||||
| 115 | A | 31.4 | Very low | 40.6 | Very low | 104 Ų | 104 | 147.4 Ų | 147.4 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | -122.8 | 140.3 | 145.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 116 | I | 42.4 | Very low | 40.9 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | trans | -152.9 | 134.5 | -168.4 | -84.6 | 177.8 | 0 | 0 | 0 | 107 | ||||
| 117 | I | 39.3 | Very low | 41.3 | Very low | 149 Ų | 149 | 143.4 Ų | 143.4 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | cis | -154.3 | 167.1 | -8.2 | -148.3 | 169.8 | 0 | 0 | 0 | 109.9 | ||||
| 118 | S | 34.3 | Very low | 41.2 | Very low | 100 Ų | 100 | 142.6 Ų | 142.6 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | trans | -147.3 | 180 | 169.1 | -77.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 119 | T | 36 | Very low | 41 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | trans | 69.9 | 151.2 | -163.4 | 72.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 120 | T | 37.4 | Very low | 40.5 | Very low | 113 Ų | 113 | 147 Ų | 147 | 69% | 0.693 | 75% | 0.748 | S | S | * | * | cis | -150.6 | 163.6 | 35.8 | 44.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 121 | D | 43.3 | Very low | 40.6 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 59% | 0.594 | 74% | 0.741 | S | S | * | * | cis | -167.6 | 154.8 | -6.8 | -100.7 | -8.5 | 0 | 0 | 0 | 111.7 | ||||
| 122 | Y | 43.3 | Very low | 40.4 | Very low | 210 Ų | 210 | 141.5 Ų | 141.5 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | trans | 47.1 | 158.4 | 133.3 | -69.2 | -121.8 | 0 | 0 | 0 | 121.1 | ||||
| 123 | S | 41.2 | Very low | 40.1 | Very low | 84 Ų | 84 | 137.4 Ų | 137.4 | 59% | 0.587 | 72% | 0.723 | S | S | * | * | cis | -176.8 | -172.8 | -15.5 | 173.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 124 | N | 44.1 | Very low | 39.7 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 65% | 0.652 | 73% | 0.728 | S | S | * | * | trans | 75.5 | 149.4 | 162.2 | -63.8 | 54.6 | 0 | 0 | 0 | 116.6 | ||||
| 125 | E | 40.5 | Very low | 39.4 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 70% | 0.696 | 72% | 0.724 | S | S | * | * | cis | -167.5 | 172.5 | -32.1 | -124.4 | 160.7 | -167.3 | 0 | 0 | 108.8 | ||||
| 126 | D | 46.8 | Very low | 39.6 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | trans | 29.3 | 121.7 | 148.7 | -71.1 | 11.2 | 0 | 0 | 0 | 122.3 | ||||
| 127 | D | 47 | Very low | 39.3 | Very low | 140 Ų | 140 | 139.1 Ų | 139.1 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | 58.6 | 145.9 | 124.2 | -80.9 | 9.4 | 0 | 0 | 0 | 124.8 | |||||
| 128 | N | 43.6 | Very low | 39.2 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | trans | 70.3 | 111.4 | 147.7 | -70.9 | -40.3 | 0 | 0 | 0 | 121.8 | ||||
| 129 | E | 38.7 | Very low | 39.3 | Very low | 184 Ų | 184 | 137.6 Ų | 137.6 | 86% | 0.86 | 72% | 0.715 | S | S | * | * | 85 | 117.3 | 118.3 | -155.1 | 159.5 | -143.3 | 0 | 0 | 119.5 | |||||
| 130 | Y | 35.5 | Very low | 39.2 | Very low | 217 Ų | 217 | 138.7 Ų | 138.7 | 85% | 0.851 | 71% | 0.711 | S | S | * | * | trans | -55.1 | 165.5 | 163.1 | -101.2 | -137.1 | 0 | 0 | 0 | 112.7 | ||||
| 131 | P | 44.1 | Very low | 39.3 | Very low | 99 Ų | 99 | 138.4 Ų | 138.4 | 64% | 0.643 | 71% | 0.705 | S | S | * | * | cis | -144 | -160 | -13.5 | 35.9 | -13.4 | 0 | 0 | 0 | 114.1 | ||||
| 132 | K | 36.4 | Very low | 39.2 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 66% | 0.657 | 72% | 0.716 | S | S | * | * | trans | 86.7 | 107.5 | 140.5 | -94.2 | -170.8 | 175.9 | -74.5 | 0 | 119.9 | ||||
| 133 | E | 34.8 | Very low | 38.8 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 65% | 0.654 | 71% | 0.71 | S | S | * | * | 77.4 | 157 | 115.7 | -86.3 | 165.5 | -150 | 0 | 0 | 122.6 | |||||
| 134 | E | 33.9 | Very low | 38.9 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 80% | 0.799 | 72% | 0.72 | S | S | * | * | trans | 67.7 | 64.1 | 155.3 | -71.6 | -175.6 | -178.6 | 0 | 0 | 120.8 | ||||
| 135 | A | 34.4 | Very low | 38.6 | Very low | 81 Ų | 81 | 141.4 Ų | 141.4 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | 70 | 174.9 | 103.2 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 136 | T | 35.7 | Very low | 38.6 | Very low | 124 Ų | 124 | 137 Ų | 137 | 76% | 0.761 | 72% | 0.722 | S | S | * | * | trans | 72.6 | 149.4 | 170.3 | 75.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 137 | K | 35.8 | Very low | 38.1 | Very low | 184 Ų | 184 | 135.5 Ų | 135.5 | 80% | 0.8 | 72% | 0.719 | S | S | * | * | cis | -162.6 | 170.5 | -21.1 | -113.7 | 176.3 | -176.2 | -177.1 | 0 | 107 | ||||
| 138 | G | 36.2 | Very low | 37.8 | Very low | 55 Ų | 55 | 134.1 Ų | 134.1 | 57% | 0.567 | 71% | 0.707 | S | S | * | * | trans | 117.3 | 132.2 | 165 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 139 | E | 35.9 | Very low | 37.7 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 75% | 0.752 | 70% | 0.695 | S | S | * | * | cis | 65.8 | 123.8 | 33.3 | -46.2 | 149.7 | 176.7 | 0 | 0 | 109.3 | ||||
| 140 | E | 35.8 | Very low | 37.8 | Very low | 150 Ų | 150 | 126.2 Ų | 126.2 | 70% | 0.701 | 67% | 0.67 | S | S | * | * | cis | -167.2 | 173.3 | 14 | -133.6 | 172.7 | -136.1 | 0 | 0 | 113.4 | ||||
| 141 | N | 38.9 | Very low | 38.1 | Very low | 106 Ų | 106 | 122.6 Ų | 122.6 | 57% | 0.567 | 66% | 0.661 | S | S | * | * | trans | 70.6 | 125.1 | 149.6 | -61.4 | -27.7 | 0 | 0 | 0 | 122.3 | ||||
| 142 | E | 41.4 | Very low | 37.8 | Very low | 177 Ų | 177 | 121.4 Ų | 121.4 | 83% | 0.827 | 66% | 0.655 | S | S | * | * | trans | 70.7 | 161.2 | 130.6 | -67.3 | 173.4 | -169.6 | 0 | 0 | 119.8 | ||||
| 143 | S | 35.2 | Very low | 38 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 70% | 0.699 | 66% | 0.661 | S | S | * | * | cis | -179.5 | 159.7 | -29.7 | -176.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 144 | M | 41.8 | Very low | 38.1 | Very low | 159 Ų | 159 | 121.3 Ų | 121.3 | 78% | 0.783 | 67% | 0.665 | S | S | * | * | trans | 77.5 | 133.3 | -175 | -50.8 | -165.1 | 74.1 | 0 | 0 | 114.8 | ||||
| 145 | D | 38.8 | Very low | 38.3 | Very low | 154 Ų | 154 | 118.3 Ų | 118.3 | 82% | 0.824 | 66% | 0.663 | S | S | * | * | cis | 86.4 | 139.6 | 32.5 | -166.7 | 28.7 | 0 | 0 | 0 | 113.6 | ||||
| 146 | G | 39.3 | Very low | 38.5 | Very low | 56 Ų | 56 | 118.2 Ų | 118.2 | 58% | 0.577 | 66% | 0.663 | S | S | * | * | trans | 113.3 | 69.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 147 | T | 37.9 | Very low | 38.7 | Very low | 105 Ų | 105 | 118.6 Ų | 118.6 | 64% | 0.644 | 67% | 0.67 | S | S | * | * | 28.2 | 131.6 | 128.7 | 49.1 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 148 | E | 39.9 | Very low | 38.8 | Very low | 110 Ų | 110 | 113.2 Ų | 113.2 | 51% | 0.514 | 67% | 0.667 | S | S | . | * | 72.6 | 163.1 | 128.8 | -67 | 156.9 | 171 | 0 | 0 | 120.7 | Q1487 L1488 | E148-Q1487 HydrophobicContact CB-CG 4.27Å; E148-Q1487 VanDerWaalsContact CB-NE2 3.27Å; E148-Q1487 VanDerWaalsContact OE2-CD 3.27Å; E148-Q1487 PolarHBondContact OE2-NE2 3.15Å; E148-Q1487 PolarHBondContact OE2-OE1 2.89Å; E148-L1488 HydrophobicContact CG-CD1 4.17Å; E148-L1488 VanDerWaalsContact OE1-CD1 3.31Å; E148-L1488 WeakPolarHBondContact OE1-CD1 3.41Å | |||
| 149 | E | 41 | Very low | 38.9 | Very low | 95 Ų | 95 | 116 Ų | 116 | 44% | 0.444 | 68% | 0.678 | S | S | . | * | cis | -170.8 | 162.7 | -35.2 | -167.8 | -167.3 | -136 | 0 | 0 | 108.2 | D1486 Q1487 L1488 | E149-D1486 PolarHBondContact N-OD1 3.15Å; E149-D1486 VanDerWaalsContact N-OD1 3.16Å; E149-D1486 PolarHBondContact O-N 3.12Å; E149-Q1487 HydrophobicContact CB-CG 4.26Å; E149-L1488 WeakPolarHBondContact OE2-CG 3.34Å; E149-L1488 PolarHBondContact OE2-N 2.9Å | ||
| 150 | T | 41.3 | Very low | 39.1 | Very low | 56 Ų | 56 | 113.4 Ų | 113.4 | 34% | 0.344 | 67% | 0.673 | S | S | . | * | trans | 100.8 | 151 | 146.1 | 76.2 | 0 | 0 | 0 | 0 | 125.1 | D1486 Q1487 | T150-D1486 VanDerWaalsContact OG1-CA 3.3Å; T150-D1486 WeakPolarHBondContact OG1-CA 3.3Å; T150-D1486 PolarHBondContact OG1-N 3.08Å; T150-Q1487 VanDerWaalsContact CG2-CA 3.49Å | ||
| 151 | H | 41.2 | Very low | 39.3 | Very low | 140 Ų | 140 | 113.5 Ų | 113.5 | 65% | 0.648 | 68% | 0.677 | S | S | * | * | trans | 84.9 | 140.5 | 135.2 | -77 | -11.6 | 0 | 0 | 0 | 120.7 | ||||
| 152 | S | 39.3 | Very low | 39.2 | Very low | 74 Ų | 74 | 111.8 Ų | 111.8 | 52% | 0.517 | 67% | 0.673 | S | S | . | * | cis | -170.6 | 167.9 | -6.5 | -124.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 153 | Q | 40.1 | Very low | 39.4 | Very low | 167 Ų | 167 | 109.4 Ų | 109.4 | 78% | 0.78 | 66% | 0.662 | S | S | * | * | trans | 68 | 152 | 145.1 | -70.5 | 163 | 18.2 | 0 | 0 | 118.6 | ||||
| 154 | T | 36.2 | Very low | 39.8 | Very low | 123 Ų | 123 | 112.3 Ų | 112.3 | 76% | 0.755 | 66% | 0.658 | S | S | * | * | cis | -156.1 | -177.5 | 1.5 | 3.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 155 | S | 39.4 | Very low | 39.8 | Very low | 108 Ų | 108 | 113.1 Ų | 113.1 | 76% | 0.755 | 65% | 0.652 | S | S | * | * | cis | -168.5 | 175.1 | 3.7 | -113.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 156 | A | 38.6 | Very low | 40.1 | Very low | 79 Ų | 79 | 113.9 Ų | 113.9 | 65% | 0.653 | 65% | 0.651 | S | S | * | * | cis | -177.5 | 150 | -38.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 157 | S | 39.2 | Very low | 40 | Very low | 131 Ų | 131 | 114.3 Ų | 114.3 | 92% | 0.916 | 66% | 0.655 | S | S | * | * | trans | 71.2 | 138.7 | 161.2 | -56.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 158 | G | 37 | Very low | 40 | Very low | 71 Ų | 71 | 120.1 Ų | 120.1 | 73% | 0.732 | 67% | 0.665 | S | S | * | * | cis | 160.4 | 177.3 | -11.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 159 | S | 39.8 | Very low | 40 | Very low | 115 Ų | 115 | 118.4 Ų | 118.4 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | trans | 75.4 | 140.9 | 164 | -119 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 160 | T | 38.6 | Very low | 39.8 | Very low | 106 Ų | 106 | 117.1 Ų | 117.1 | 65% | 0.65 | 66% | 0.664 | S | S | * | * | cis | -167.8 | 164 | -7.9 | -0.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 161 | I | 41.1 | Very low | 39.6 | Very low | 151 Ų | 151 | 123.4 Ų | 123.4 | 77% | 0.774 | 68% | 0.682 | S | S | * | * | trans | 71.2 | 132.9 | 148.1 | -74.9 | 165.2 | 0 | 0 | 0 | 116.7 | ||||
| 162 | S | 36.9 | Very low | 39.7 | Very low | 71 Ų | 71 | 125.4 Ų | 125.4 | 50% | 0.497 | 69% | 0.685 | S | S | . | * | cis | -174.3 | 149.4 | -1.2 | -109.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 163 | Q | 45.8 | Very low | 39.8 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 59% | 0.589 | 69% | 0.693 | S | S | * | * | trans | 74.6 | 144.8 | 133.8 | -65.3 | 168.3 | -6.6 | 0 | 0 | 119.9 | ||||
| 164 | W | 42.6 | Very low | 39.7 | Very low | 161 Ų | 161 | 126.2 Ų | 126.2 | 61% | 0.61 | 69% | 0.692 | S | S | * | * | cis | -173.3 | 159.6 | 4.3 | -112.3 | -28.8 | 0 | 0 | 0 | 114.2 | ||||
| 165 | W | 41.6 | Very low | 39.7 | Very low | 177 Ų | 177 | 127.9 Ų | 127.9 | 67% | 0.67 | 69% | 0.691 | S | S | * | * | trans | 58.1 | 162.2 | 162.9 | 3.9 | 95.1 | 0 | 0 | 0 | 122.2 | ||||
| 166 | Q | 45.9 | Very low | 39.9 | Very low | 170 Ų | 170 | 128.3 Ų | 128.3 | 79% | 0.794 | 69% | 0.692 | S | S | * | * | cis | -179.6 | 143 | -30.5 | -102.3 | 162.2 | 18.8 | 0 | 0 | 107.2 | ||||
| 167 | G | 37.1 | Very low | 39.8 | Very low | 65 Ų | 65 | 130.7 Ų | 130.7 | 67% | 0.67 | 69% | 0.694 | S | S | * | * | cis | 157.1 | 175.9 | -9.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 168 | R | 37.6 | Very low | 39.7 | Very low | 227 Ų | 227 | 132.6 Ų | 132.6 | 86% | 0.857 | 69% | 0.686 | S | S | * | * | trans | 80.6 | 153.6 | 160.4 | -63.4 | 178.3 | 174.2 | 161.7 | -1.5 | 120.3 | ||||
| 169 | S | 39.7 | Very low | 39.6 | Very low | 73 Ų | 73 | 140.2 Ų | 140.2 | 51% | 0.51 | 69% | 0.693 | S | S | . | * | cis | -178.6 | 135.8 | -23.5 | -171.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 170 | T | 36.2 | Very low | 39.3 | Very low | 69 Ų | 69 | 139.9 Ų | 139.9 | 42% | 0.423 | 69% | 0.69 | S | S | . | * | trans | 57.2 | 130.6 | 140.5 | 55.8 | 0 | 0 | 0 | 0 | 126.6 | E1494 | T170-E1494 PolarHBondContact N-OE2 3.24Š| ||
| 171 | R | 38.8 | Very low | 39.4 | Very low | 187 Ų | 187 | 141.3 Ų | 141.3 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | trans | 70.3 | 159.8 | 140.2 | -57.6 | 162 | -165.2 | -172.3 | 3 | 118.1 | ||||
| 172 | Y | 42.5 | Very low | 39.2 | Very low | 183 Ų | 183 | 142 Ų | 142 | 72% | 0.718 | 71% | 0.708 | S | S | * | * | cis | -133.9 | 144 | 13.4 | -75.2 | -86.5 | 0 | 0 | 0 | 109.7 | ||||
| 173 | V | 41.5 | Very low | 39.3 | Very low | 114 Ų | 114 | 142 Ų | 142 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | 80.2 | 100.2 | 63.7 | 179.1 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 174 | L | 37.8 | Very low | 38.9 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | 55.2 | 154.5 | 142.1 | -59.1 | 175.6 | 0 | 0 | 0 | 124.7 | ||||
| 175 | H | 35.8 | Very low | 38.7 | Very low | 157 Ų | 157 | 142 Ų | 142 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | 79.7 | 108.4 | 158.9 | -65.1 | -72.9 | 0 | 0 | 0 | 122.1 | ||||
| 176 | C | 43.3 | Very low | 38.7 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | -163.8 | 118.5 | 129.1 | -165.6 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 177 | D | 36.6 | Very low | 38.7 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 70% | 0.695 | 74% | 0.737 | S | S | * | * | cis | 69.5 | 47.4 | 10.1 | -158.1 | 25.5 | 0 | 0 | 0 | 117.3 | ||||
| 178 | K | 38.4 | Very low | 39.1 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 74% | 0.739 | 73% | 0.731 | S | S | * | * | trans | -166.7 | 111.8 | 140.7 | -105.1 | 144.3 | -169.3 | 160.6 | 0 | 114.1 | ||||
| 179 | R | 34.5 | Very low | 39.8 | Very low | 232 Ų | 232 | 137.2 Ų | 137.2 | 88% | 0.875 | 72% | 0.721 | S | S | * | * | trans | 59.3 | 130.8 | 144.6 | -59.4 | -177.6 | 176.1 | -127.7 | -5.3 | 119.9 | ||||
| 180 | S | 32.4 | Very low | 40.6 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | trans | 59.8 | 80.3 | 153.5 | 55.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 181 | C | 42.2 | Very low | 41.8 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 91% | 0.912 | 71% | 0.714 | S | S | * | * | trans | -134.9 | 75.5 | 149.6 | -76.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 182 | N | 35.5 | Very low | 42.7 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 89% | 0.888 | 71% | 0.713 | S | S | * | * | trans | -83.7 | 133.7 | 175.2 | -76.4 | -0.8 | 0 | 0 | 0 | 110.5 | ||||
| 183 | G | 39.3 | Very low | 43.4 | Very low | 70 Ų | 70 | 131.1 Ų | 131.1 | 72% | 0.722 | 69% | 0.691 | S | S | * | * | trans | 113.7 | 33.4 | 152.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 184 | H | 38.4 | Very low | 44.6 | Very low | 195 Ų | 195 | 128.9 Ų | 128.9 | 90% | 0.903 | 68% | 0.678 | S | S | * | * | trans | -130.9 | 158.2 | 166.9 | -81.2 | -73.5 | 0 | 0 | 0 | 113.7 | ||||
| 185 | S | 36.6 | Very low | 46 | Very low | 94 Ų | 94 | 127.3 Ų | 127.3 | 66% | 0.657 | 68% | 0.676 | S | S | * | * | trans | -80.8 | 131 | -173.7 | 121.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 186 | H | 41.7 | Very low | 47.8 | Very low | 136 Ų | 136 | 124.3 Ų | 124.3 | 63% | 0.63 | 67% | 0.669 | S | S | * | * | trans | -106.1 | 81.9 | 158 | -94.4 | -85.3 | 0 | 0 | 0 | 110.2 | H188 | H186-H188 VanDerWaalsContact C-N 3.31Å; H186-H188 PolarHBondContact ND1-O 2.95Å | ||
| 187 | L | 46.5 | Very low | 49.3 | Very low | 164 Ų | 164 | 122.6 Ų | 122.6 | 86% | 0.859 | 65% | 0.65 | S | S | * | * | trans | -84 | -10.2 | 157.6 | -100.6 | 164.3 | 0 | 0 | 0 | 112.1 | ||||
| 188 | H | 46.3 | Very low | 51 | Low | 117 Ų | 117 | 121 Ų | 121 | 54% | 0.542 | 63% | 0.634 | S | S | . | * | trans | -98.6 | 109.4 | 168.6 | -83 | -78 | 0 | 0 | 0 | 111.1 | H186 E190 | H186-H188 VanDerWaalsContact C-N 3.31Å; H186-H188 PolarHBondContact ND1-O 2.95Å; H188-E190 VanDerWaalsContact C-N 3.27Å; H188-E190 HydrophobicContact CB-CB 4.45Å; H188-E190 WeakPolarHBondContact ND1-CG 3.26Å | ||
| 189 | D | 51.7 | Low | 52.7 | Low | 121 Ų | 121 | 119.5 Ų | 119.5 | 65% | 0.647 | 63% | 0.628 | S | S | * | * | trans | -88 | -1 | 158.1 | -128.2 | -8.1 | 0 | 0 | 0 | 111.1 | D191 Y192 M193 | D189-D191 PolarHBondContact O-N 2.74Å; D189-Y192 PolarHBondContact O-N 3.31Å; D189-M193 WeakPolarHBondContact O-CG 3.24Å; D189-M193 PolarHBondContact O-N 3.21Å | ||
| 190 | E | 56.5 | Low | 54.8 | Low | 55 Ų | 55 | 112 Ų | 112 | 26% | 0.257 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60 | -25.9 | 175.5 | -69.9 | -68.8 | 162.4 | 0 | 0 | 113.2 | H188 M193 R198 R201 | H188-E190 VanDerWaalsContact C-N 3.27Å; H188-E190 HydrophobicContact CB-CB 4.45Å; H188-E190 WeakPolarHBondContact ND1-CG 3.26Å; E190-M193 WeakPolarHBondContact O-CB 3.47Å; E190-R198 PolarHBondContact O-NE 3.41Å; E190-R198 PolarHBondContact O-NH2 2.9Å; E190-R201 VanDerWaalsContact OE1-CD 3.28Å; E190-R201 WeakPolarHBondContact OE1-CD 3.41Å; E190-R201 IonicContact OE1-CZ 3.93Å; E190-R201 IonicContact OE1-NE 2.88Å; E190-R201 IonicContact OE1-NH1 3.76Å; E190-R201 PolarHBondContact OE1-NH1 2.8Å; E190-R201 IonicContact OE2-NH1 3.66Å |
| 191 | D | 60.7 | Low | 56.9 | Low | 97 Ų | 97 | 112.4 Ų | 112.4 | 52% | 0.519 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.1 | -13.8 | -176.7 | -67.1 | -57.1 | 0 | 0 | 0 | 114.5 | D189 R198 | D189-D191 PolarHBondContact O-N 2.74Å; D191-R198 IonicContact OD1-CZ 2.74Å; D191-R198 IonicContact OD1-NH1 3.92Å; D191-R198 IonicContact OD1-NH2 3.83Å; D191-R198 PolarHBondContact OD1-NH2 3.44Å |
| 192 | Y | 59.3 | Low | 58.5 | Low | 179 Ų | 179 | 111.9 Ų | 111.9 | 70% | 0.702 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -2.5 | 165.3 | -74.6 | -80 | 0 | 0 | 0 | 112.8 | D189 T194 | D189-Y192 PolarHBondContact O-N 3.31Å; Y192-T194 PolarHBondContact O-N 2.71Å |
| 193 | M | 56.8 | Low | 60.4 | Low | 52 Ų | 52 | 106.9 Ų | 106.9 | 26% | 0.256 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -65 | 116.5 | 158.5 | -60.3 | -86.2 | 82.9 | 0 | 0 | 108.8 | D189 E190 Q197 R198 | D189-M193 WeakPolarHBondContact O-CG 3.24Å; D189-M193 PolarHBondContact O-N 3.21Å; E190-M193 WeakPolarHBondContact O-CB 3.47Å; M193-Q197 HydrophobicContact CB-CB 3.77Å; M193-Q197 HydrophobicContact CE-CB 4.11Å; M193-Q197 HydrophobicContact CE-CG 4.36Å; M193-Q197 HydrophobicContact CG-CB 4.34Å; M193-Q197 HydrophobicContact SD-CB 3.75Å; M193-R198 HydrophobicContact CB-CB 4.4Å |
| 194 | T | 66.9 | Low | 62.2 | Low | 68 Ų | 68 | 107 Ų | 107 | 42% | 0.417 | 53% | 0.533 | S | S | . | . | trans | -51.8 | 157.9 | 168.3 | 57.2 | 0 | 0 | 0 | 0 | 111 | Y192 T196 Q197 R198 | Y192-T194 PolarHBondContact O-N 2.71Å; T194-T196 CarbonylContact O-C 3.56Å; T194-T196 PolarHBondContact O-N 2.84Å; T194-Q197 WeakPolarHBondContact O-CA 3.45Å; T194-Q197 PolarHBondContact O-N 3.37Å; T194-Q197 WeakPolarHBondContact OG1-CG 3.14Å; T194-Q197 PolarHBondContact OG1-N 2.9Å; T194-Q197 PolarHBondContact OG1-OE1 2.77Å; T194-R198 PolarHBondContact O-N 2.73Å | ||
| 195 | P | 66.6 | Low | 64.1 | Low | 110 Ų | 110 | 103.7 Ų | 103.7 | 71% | 0.714 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -52 | -33.9 | 177.8 | -29.2 | 36.3 | 0 | 0 | 0 | 113.4 | K199 | P195-K199 VanDerWaalsContact O-CB 3.25Å; P195-K199 WeakPolarHBondContact O-CB 3.44Å; P195-K199 PolarHBondContact O-N 3.16Å |
| 196 | T | 72.9 | Confident | 66.3 | Low | 94 Ų | 94 | 105 Ų | 105 | 58% | 0.577 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.8 | -52 | 169.7 | -48.6 | 0 | 0 | 0 | 0 | 112.3 | T194 N200 | T194-T196 CarbonylContact O-C 3.56Å; T194-T196 PolarHBondContact O-N 2.84Å; T196-N200 WeakPolarHBondContact O-CB 3.4Å; T196-N200 PolarHBondContact O-N 3.21Å; T196-N200 PolarHBondContact O-ND2 2.77Å; T196-N200 PolarHBondContact O-OD1 3.44Å |
| 197 | Q | 75.3 | Confident | 67.8 | Low | 81 Ų | 81 | 104.6 Ų | 104.6 | 38% | 0.379 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.7 | -39.1 | -179 | -71.8 | 162 | -55.6 | 0 | 0 | 112.8 | M193 T194 N200 R201 | M193-Q197 HydrophobicContact CB-CB 3.77Å; M193-Q197 HydrophobicContact CE-CB 4.11Å; M193-Q197 HydrophobicContact CE-CG 4.36Å; M193-Q197 HydrophobicContact CG-CB 4.34Å; M193-Q197 HydrophobicContact SD-CB 3.75Å; T194-Q197 WeakPolarHBondContact O-CA 3.45Å; T194-Q197 PolarHBondContact O-N 3.37Å; T194-Q197 WeakPolarHBondContact OG1-CG 3.14Å; T194-Q197 PolarHBondContact OG1-N 2.9Å; T194-Q197 PolarHBondContact OG1-OE1 2.77Å; Q197-N200 WeakPolarHBondContact O-CB 3.49Å; Q197-N200 PolarHBondContact O-N 3.46Å; Q197-R201 PolarHBondContact O-N 3.43Å |
| 198 | R | 72.4 | Confident | 69.4 | Low | 96 Ų | 96 | 102.8 Ų | 102.8 | 36% | 0.362 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -49 | 175 | -173 | 177.8 | -63.2 | -171.8 | -0.2 | 111.4 | E190 D191 M193 T194 N200 R201 E202 | E190-R198 PolarHBondContact O-NE 3.41Å; E190-R198 PolarHBondContact O-NH2 2.9Å; D191-R198 IonicContact OD1-CZ 2.74Å; D191-R198 IonicContact OD1-NH1 3.92Å; D191-R198 IonicContact OD1-NH2 3.83Å; D191-R198 PolarHBondContact OD1-NH2 3.44Å; M193-R198 HydrophobicContact CB-CB 4.4Å; T194-R198 PolarHBondContact O-N 2.73Å; R198-N200 VanDerWaalsContact C-N 3.26Å; R198-N200 PolarHBondContact O-N 3.44Å; R198-R201 WeakPolarHBondContact O-CB 3.48Å; R198-R201 PolarHBondContact O-N 2.77Å; R198-E202 PolarHBondContact O-N 3.41Å |
| 199 | K | 75.1 | Confident | 71.1 | Confident | 140 Ų | 140 | 105.6 Ų | 105.6 | 61% | 0.609 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.5 | -38.7 | 175.1 | -172.4 | 176.2 | -179 | 176.4 | 0 | 111.5 | P195 R201 M203 | P195-K199 VanDerWaalsContact O-CB 3.25Å; P195-K199 WeakPolarHBondContact O-CB 3.44Å; P195-K199 PolarHBondContact O-N 3.16Å; K199-R201 VanDerWaalsContact C-N 3.29Å; K199-R201 PolarHBondContact O-N 3.03Å; K199-M203 HydrophobicContact CD-CE 4.41Å; K199-M203 HydrophobicContact CG-CE 3.94Å; K199-M203 WeakPolarHBondContact O-CB 3.33Å; K199-M203 PolarHBondContact O-N 2.73Å |
| 200 | N | 76.8 | Confident | 72.7 | Confident | 75 Ų | 75 | 105 Ų | 105 | 40% | 0.401 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -33.7 | 173.4 | -73.1 | -13.1 | 0 | 0 | 0 | 112.6 | T196 Q197 R198 T204 | T196-N200 WeakPolarHBondContact O-CB 3.4Å; T196-N200 PolarHBondContact O-N 3.21Å; T196-N200 PolarHBondContact O-ND2 2.77Å; T196-N200 PolarHBondContact O-OD1 3.44Å; Q197-N200 WeakPolarHBondContact O-CB 3.49Å; Q197-N200 PolarHBondContact O-N 3.46Å; R198-N200 VanDerWaalsContact C-N 3.26Å; R198-N200 PolarHBondContact O-N 3.44Å; N200-T204 VanDerWaalsContact O-CB 3.3Å; N200-T204 WeakPolarHBondContact O-CB 3.23Å; N200-T204 PolarHBondContact O-N 2.91Å; N200-T204 PolarHBondContact O-OG1 3.14Å |
| 201 | R | 77.6 | Confident | 73.4 | Confident | 115 Ų | 115 | 110 Ų | 110 | 43% | 0.434 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72.5 | -48.7 | -178.7 | -145.2 | 178.2 | -155.1 | 159 | 11.8 | 112.5 | E190 Q197 R198 K199 T204 Q205 | E190-R201 VanDerWaalsContact OE1-CD 3.28Å; E190-R201 WeakPolarHBondContact OE1-CD 3.41Å; E190-R201 IonicContact OE1-CZ 3.93Å; E190-R201 IonicContact OE1-NE 2.88Å; E190-R201 IonicContact OE1-NH1 3.76Å; E190-R201 PolarHBondContact OE1-NH1 2.8Å; E190-R201 IonicContact OE2-NH1 3.66Å; Q197-R201 PolarHBondContact O-N 3.43Å; R198-R201 WeakPolarHBondContact O-CB 3.48Å; R198-R201 PolarHBondContact O-N 2.77Å; K199-R201 VanDerWaalsContact C-N 3.29Å; K199-R201 PolarHBondContact O-N 3.03Å; R201-T204 WeakPolarHBondContact O-CB 3.39Å; R201-T204 PolarHBondContact O-N 3.39Å; R201-T204 VanDerWaalsContact O-N 3.15Å; R201-Q205 PolarHBondContact O-N 2.8Å; R201-Q205 VanDerWaalsContact O-N 3.08Å |
| 202 | E | 75.3 | Confident | 74.5 | Confident | 124 Ų | 124 | 111 Ų | 111 | 58% | 0.579 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.9 | -45 | 174.8 | -66.9 | 175.5 | 155.1 | 0 | 0 | 111.4 | R198 T204 Q205 L206 | R198-E202 PolarHBondContact O-N 3.41Å; E202-T204 PolarHBondContact O-N 3.17Å; E202-Q205 PolarHBondContact O-N 2.84Å; E202-Q205 VanDerWaalsContact O-N 3.07Å; E202-L206 PolarHBondContact O-N 3.5Å |
| 203 | M | 76.5 | Confident | 75.6 | Confident | 61 Ų | 61 | 108.1 Ų | 108.1 | 30% | 0.3 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.8 | -32.7 | 174.5 | -167.9 | -169.5 | -45.8 | 0 | 0 | 111.7 | K199 R207 | K199-M203 HydrophobicContact CD-CE 4.41Å; K199-M203 HydrophobicContact CG-CE 3.94Å; K199-M203 WeakPolarHBondContact O-CB 3.33Å; K199-M203 PolarHBondContact O-N 2.73Å; M203-R207 WeakPolarHBondContact O-CB 3.39Å; M203-R207 VanDerWaalsContact O-CD 3.3Å; M203-R207 WeakPolarHBondContact O-CD 3.21Å; M203-R207 WeakPolarHBondContact O-CG 3.32Å; M203-R207 PolarHBondContact O-N 3.23Å; M203-R207 PolarHBondContact SD-NH1 3.42Å; M203-R207 PolarHBondContact SD-NH2 2.8Å; M203-R207 VanDerWaalsContact SD-NH2 3.35Å |
| 204 | T | 76.2 | Confident | 76.9 | Confident | 74 Ų | 74 | 109.7 Ų | 109.7 | 45% | 0.454 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.2 | -38.9 | 173.9 | -61.7 | 0 | 0 | 0 | 0 | 112.3 | N200 R201 E202 R207 M208 | N200-T204 VanDerWaalsContact O-CB 3.3Å; N200-T204 WeakPolarHBondContact O-CB 3.23Å; N200-T204 PolarHBondContact O-N 2.91Å; N200-T204 PolarHBondContact O-OG1 3.14Å; R201-T204 WeakPolarHBondContact O-CB 3.39Å; R201-T204 PolarHBondContact O-N 3.39Å; R201-T204 VanDerWaalsContact O-N 3.15Å; E202-T204 PolarHBondContact O-N 3.17Å; T204-R207 PolarHBondContact O-N 2.81Å; T204-M208 WeakPolarHBondContact O-CG 3.12Å; T204-M208 PolarHBondContact O-N 3.29Å |
| 205 | Q | 79 | Confident | 77.4 | Confident | 125 Ų | 125 | 109.5 Ų | 109.5 | 58% | 0.584 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.1 | -40.6 | 176.7 | -68.3 | -170.8 | 11 | 0 | 0 | 112.8 | R201 E202 M208 R209 | R201-Q205 PolarHBondContact O-N 2.8Å; R201-Q205 VanDerWaalsContact O-N 3.08Å; E202-Q205 PolarHBondContact O-N 2.84Å; E202-Q205 VanDerWaalsContact O-N 3.07Å; Q205-M208 WeakPolarHBondContact O-CB 3.29Å; Q205-M208 PolarHBondContact O-N 2.75Å; Q205-R209 PolarHBondContact O-N 3.28Å; Q205-R209 VanDerWaalsContact O-N 3.16Å |
| 206 | L | 83.1 | Confident | 78 | Confident | 121 Ų | 121 | 107.8 Ų | 107.8 | 63% | 0.634 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.9 | -40.3 | 173.5 | -70.8 | 176 | 0 | 0 | 0 | 111.2 | E202 M208 R209 L210 | E202-L206 PolarHBondContact O-N 3.5Å; L206-M208 VanDerWaalsContact C-N 3.27Å; L206-M208 PolarHBondContact O-N 3.38Å; L206-R209 PolarHBondContact O-N 3.02Å; L206-L210 WeakPolarHBondContact O-CB 3.34Å; L206-L210 PolarHBondContact O-N 2.89Å |
| 207 | R | 73.2 | Confident | 78.5 | Confident | 128 Ų | 128 | 109.2 Ų | 109.2 | 48% | 0.483 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.5 | -36.1 | 169.6 | -78.8 | 166.8 | 173.5 | 165.8 | -3.8 | 112.8 | M203 T204 R211 | M203-R207 WeakPolarHBondContact O-CB 3.39Å; M203-R207 VanDerWaalsContact O-CD 3.3Å; M203-R207 WeakPolarHBondContact O-CD 3.21Å; M203-R207 WeakPolarHBondContact O-CG 3.32Å; M203-R207 PolarHBondContact O-N 3.23Å; M203-R207 PolarHBondContact SD-NH1 3.42Å; M203-R207 PolarHBondContact SD-NH2 2.8Å; M203-R207 VanDerWaalsContact SD-NH2 3.35Å; T204-R207 PolarHBondContact O-N 2.81Å; R207-R211 VanDerWaalsContact O-CB 3.24Å; R207-R211 WeakPolarHBondContact O-CB 3.5Å; R207-R211 VanDerWaalsContact O-CD 3.3Å; R207-R211 WeakPolarHBondContact O-CD 3.38Å; R207-R211 WeakPolarHBondContact O-CG 3.48Å; R207-R211 PolarHBondContact O-N 2.84Å |
| 208 | M | 79.6 | Confident | 78.6 | Confident | 126 Ų | 126 | 111.2 Ų | 111.2 | 62% | 0.621 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.3 | -45.1 | 176 | -68 | -109.3 | -63.7 | 0 | 0 | 112.4 | T204 Q205 L206 Q212 | T204-M208 WeakPolarHBondContact O-CG 3.12Å; T204-M208 PolarHBondContact O-N 3.29Å; Q205-M208 WeakPolarHBondContact O-CB 3.29Å; Q205-M208 PolarHBondContact O-N 2.75Å; L206-M208 VanDerWaalsContact C-N 3.27Å; L206-M208 PolarHBondContact O-N 3.38Å; M208-Q212 PolarHBondContact O-N 2.84Å |
| 209 | R | 82.3 | Confident | 79.1 | Confident | 176 Ų | 176 | 112.1 Ų | 112.1 | 66% | 0.664 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -73.2 | -34.9 | 179.9 | -74.4 | -174.8 | 178.4 | 146.4 | 0.5 | 113.4 | Q205 L206 Q212 K213 | Q205-R209 PolarHBondContact O-N 3.28Å; Q205-R209 VanDerWaalsContact O-N 3.16Å; L206-R209 PolarHBondContact O-N 3.02Å; R209-Q212 PolarHBondContact O-N 2.78Å; R209-K213 PolarHBondContact O-N 3.42Å |
| 210 | L | 83.9 | Confident | 79 | Confident | 108 Ų | 108 | 114 Ų | 114 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.8 | -54.9 | 172.1 | -158.7 | 81 | 0 | 0 | 0 | 108.9 | L206 Q212 K213 E214 | L206-L210 WeakPolarHBondContact O-CB 3.34Å; L206-L210 PolarHBondContact O-N 2.89Å; L210-Q212 VanDerWaalsContact C-N 3.26Å; L210-Q212 PolarHBondContact O-N 2.85Å; L210-Q212 VanDerWaalsContact O-N 3.16Å; L210-K213 CarbonylContact O-C 3.48Å; L210-K213 PolarHBondContact O-N 2.82Å; L210-E214 VanDerWaalsContact CD2-OE1 3.28Å; L210-E214 WeakPolarHBondContact CD2-OE1 3.29Å; L210-E214 HydrophobicContact CG-CG 4.31Å; L210-E214 WeakPolarHBondContact O-CG 3.46Å; L210-E214 PolarHBondContact O-N 3.27Å |
| 211 | R | 72.4 | Confident | 79.4 | Confident | 159 Ų | 159 | 115.2 Ų | 115.2 | 60% | 0.6 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -51.5 | -42 | 176.2 | -77 | 169.4 | 179.5 | -177.6 | -5 | 113.1 | R207 K213 E214 T215 | R207-R211 VanDerWaalsContact O-CB 3.24Å; R207-R211 WeakPolarHBondContact O-CB 3.5Å; R207-R211 VanDerWaalsContact O-CD 3.3Å; R207-R211 WeakPolarHBondContact O-CD 3.38Å; R207-R211 WeakPolarHBondContact O-CG 3.48Å; R207-R211 PolarHBondContact O-N 2.84Å; R211-K213 VanDerWaalsContact C-N 3.31Å; R211-K213 PolarHBondContact O-N 3.21Å; R211-E214 WeakPolarHBondContact CA-OE2 3.24Å; R211-E214 PolarHBondContact N-OE2 2.84Å; R211-E214 VanDerWaalsContact N-OE2 3.1Å; R211-E214 PolarHBondContact O-N 2.9Å; R211-T215 WeakPolarHBondContact O-CG2 3.5Å; R211-T215 PolarHBondContact O-N 3.41Å; R211-T215 PolarHBondContact O-OG1 3.27Å |
| 212 | Q | 84.2 | Confident | 79.1 | Confident | 119 Ų | 119 | 112.5 Ų | 112.5 | 56% | 0.556 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64 | -33.5 | 179.7 | -171.8 | 176.4 | 2.6 | 0 | 0 | 113.3 | M208 R209 L210 T215 E216 | M208-Q212 PolarHBondContact O-N 2.84Å; R209-Q212 PolarHBondContact O-N 2.78Å; L210-Q212 VanDerWaalsContact C-N 3.26Å; L210-Q212 PolarHBondContact O-N 2.85Å; L210-Q212 VanDerWaalsContact O-N 3.16Å; Q212-T215 WeakPolarHBondContact CA-OG1 3.4Å; Q212-T215 PolarHBondContact O-OG1 3.47Å; Q212-E216 WeakPolarHBondContact O-CG 3.4Å; Q212-E216 PolarHBondContact O-N 2.87Å |
| 213 | K | 80.7 | Confident | 79.6 | Confident | 118 Ų | 118 | 111.7 Ų | 111.7 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -90.5 | -23.8 | 176.1 | -69.2 | -50.8 | -169 | -165.9 | 0 | 113.8 | R209 L210 R211 E216 L217 | R209-K213 PolarHBondContact O-N 3.42Å; L210-K213 CarbonylContact O-C 3.48Å; L210-K213 PolarHBondContact O-N 2.82Å; R211-K213 VanDerWaalsContact C-N 3.31Å; R211-K213 PolarHBondContact O-N 3.21Å; K213-E216 HydrophobicContact CD-CB 4.49Å; K213-E216 IonicContact NZ-OE1 2.69Å; K213-E216 PolarHBondContact NZ-OE1 3.26Å; K213-E216 IonicContact NZ-OE2 3.72Å; K213-E216 PolarHBondContact NZ-OE2 3.42Å; K213-L217 WeakPolarHBondContact O-CG 3.19Å; K213-L217 PolarHBondContact O-N 2.81Å |
| 214 | E | 84.8 | Confident | 79.6 | Confident | 85 Ų | 85 | 112.8 Ų | 112.8 | 40% | 0.397 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.5 | -53.2 | 163.3 | -68.3 | 165.2 | 143.8 | 0 | 0 | 108.7 | L210 R211 E216 L217 E218 | L210-E214 VanDerWaalsContact CD2-OE1 3.28Å; L210-E214 WeakPolarHBondContact CD2-OE1 3.29Å; L210-E214 HydrophobicContact CG-CG 4.31Å; L210-E214 WeakPolarHBondContact O-CG 3.46Å; L210-E214 PolarHBondContact O-N 3.27Å; R211-E214 WeakPolarHBondContact CA-OE2 3.24Å; R211-E214 PolarHBondContact N-OE2 2.84Å; R211-E214 VanDerWaalsContact N-OE2 3.1Å; R211-E214 PolarHBondContact O-N 2.9Å; E214-E216 PolarHBondContact O-N 3.22Å; E214-L217 PolarHBondContact O-N 2.83Å; E214-L217 VanDerWaalsContact O-N 3.08Å; E214-E218 WeakPolarHBondContact O-CB 3.39Å; E214-E218 VanDerWaalsContact O-CG 3.3Å; E214-E218 WeakPolarHBondContact O-CG 3.15Å; E214-E218 PolarHBondContact O-N 3.43Å |
| 215 | T | 77.2 | Confident | 79.9 | Confident | 64 Ų | 64 | 112.9 Ų | 112.9 | 39% | 0.393 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 178.7 | 52.8 | 0 | 0 | 0 | 0 | 113.9 | R211 Q212 L217 E218 D219 | R211-T215 WeakPolarHBondContact O-CG2 3.5Å; R211-T215 PolarHBondContact O-N 3.41Å; R211-T215 PolarHBondContact O-OG1 3.27Å; Q212-T215 WeakPolarHBondContact CA-OG1 3.4Å; Q212-T215 PolarHBondContact O-OG1 3.47Å; T215-L217 PolarHBondContact O-N 3.44Å; T215-E218 PolarHBondContact O-N 2.88Å; T215-D219 WeakPolarHBondContact O-CB 3.43Å; T215-D219 VanDerWaalsContact O-CG 3.27Å; T215-D219 PolarHBondContact O-N 3.43Å |
| 216 | E | 78.9 | Confident | 79.8 | Confident | 75 Ų | 75 | 112.4 Ų | 112.4 | 35% | 0.35 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.4 | -23 | 177.3 | -80.4 | 179.2 | -137.1 | 0 | 0 | 113.8 | Q212 K213 E214 R220 | Q212-E216 WeakPolarHBondContact O-CG 3.4Å; Q212-E216 PolarHBondContact O-N 2.87Å; K213-E216 HydrophobicContact CD-CB 4.49Å; K213-E216 IonicContact NZ-OE1 2.69Å; K213-E216 PolarHBondContact NZ-OE1 3.26Å; K213-E216 IonicContact NZ-OE2 3.72Å; K213-E216 PolarHBondContact NZ-OE2 3.42Å; E214-E216 PolarHBondContact O-N 3.22Å; E216-R220 WeakPolarHBondContact O-CG 3.36Å |
| 217 | L | 85.1 | Confident | 79.5 | Confident | 123 Ų | 123 | 110.8 Ų | 110.8 | 64% | 0.644 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -89.5 | -40.2 | 174 | -72.1 | 173 | 0 | 0 | 0 | 111.3 | K213 E214 T215 D219 R220 E221 | K213-L217 WeakPolarHBondContact O-CG 3.19Å; K213-L217 PolarHBondContact O-N 2.81Å; E214-L217 PolarHBondContact O-N 2.83Å; E214-L217 VanDerWaalsContact O-N 3.08Å; T215-L217 PolarHBondContact O-N 3.44Å; L217-D219 PolarHBondContact O-N 2.88Å; L217-R220 PolarHBondContact O-N 3.1Å; L217-R220 VanDerWaalsContact O-N 3.14Å; L217-E221 PolarHBondContact O-N 3.43Å |
| 218 | E | 77.3 | Confident | 80 | Confident | 123 Ų | 123 | 110.2 Ų | 110.2 | 58% | 0.575 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57 | -46.1 | 172.1 | -72.2 | 170.3 | 167.6 | 0 | 0 | 110.9 | E214 T215 R220 A222 | E214-E218 WeakPolarHBondContact O-CB 3.39Å; E214-E218 VanDerWaalsContact O-CG 3.3Å; E214-E218 WeakPolarHBondContact O-CG 3.15Å; E214-E218 PolarHBondContact O-N 3.43Å; T215-E218 PolarHBondContact O-N 2.88Å; E218-R220 VanDerWaalsContact C-N 3.26Å; E218-R220 PolarHBondContact O-N 3.34Å; E218-A222 WeakPolarHBondContact O-CB 3.29Å; E218-A222 PolarHBondContact O-N 2.92Å |
| 219 | D | 81.4 | Confident | 79.8 | Confident | 115 Ų | 115 | 107 Ų | 107 | 62% | 0.615 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.4 | -37.1 | 175.4 | -78.2 | -23.8 | 0 | 0 | 0 | 112.6 | T215 L217 H223 | T215-D219 WeakPolarHBondContact O-CB 3.43Å; T215-D219 VanDerWaalsContact O-CG 3.27Å; T215-D219 PolarHBondContact O-N 3.43Å; L217-D219 PolarHBondContact O-N 2.88Å; D219-H223 WeakPolarHBondContact O-CB 3.47Å; D219-H223 PolarHBondContact O-N 3.45Å |
| 220 | R | 72.9 | Confident | 79.5 | Confident | 181 Ų | 181 | 105.8 Ų | 105.8 | 68% | 0.683 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -82.5 | -41.7 | -176.7 | -74 | -179.8 | 174.1 | -169.9 | -1.3 | 113 | E216 L217 E218 A222 H223 L224 | E216-R220 WeakPolarHBondContact O-CG 3.36Å; L217-R220 PolarHBondContact O-N 3.1Å; L217-R220 VanDerWaalsContact O-N 3.14Å; E218-R220 VanDerWaalsContact C-N 3.26Å; E218-R220 PolarHBondContact O-N 3.34Å; R220-A222 VanDerWaalsContact C-N 3.32Å; R220-H223 PolarHBondContact O-N 2.67Å; R220-L224 PolarHBondContact O-N 2.88Å |
| 221 | E | 86.2 | Confident | 79 | Confident | 100 Ų | 100 | 105.8 Ų | 105.8 | 47% | 0.467 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.7 | -35.2 | 172.5 | -163.6 | 65.3 | -132.8 | 0 | 0 | 110.2 | L217 L224 Q225 R228 | L217-E221 PolarHBondContact O-N 3.43Å; E221-L224 PolarHBondContact O-N 3.44Å; E221-Q225 WeakPolarHBondContact O-CB 3.25Å; E221-Q225 PolarHBondContact O-N 2.91Å; E221-R228 IonicContact OE1-CZ 3.28Å; E221-R228 IonicContact OE1-NH1 3.93Å; E221-R228 PolarHBondContact OE1-NH1 3.25Å; E221-R228 IonicContact OE1-NH2 2.65Å; E221-R228 PolarHBondContact OE1-NH2 3.09Å |
| 222 | A | 71.8 | Confident | 79.4 | Confident | 58 Ų | 58 | 101.6 Ų | 101.6 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E218 R220 Q225 Q226 | E218-A222 WeakPolarHBondContact O-CB 3.29Å; E218-A222 PolarHBondContact O-N 2.92Å; R220-A222 VanDerWaalsContact C-N 3.32Å; A222-Q225 PolarHBondContact O-N 3.15Å; A222-Q226 WeakPolarHBondContact O-CB 3.11Å; A222-Q226 PolarHBondContact O-N 2.93Å |
| 223 | H | 84.2 | Confident | 78.8 | Confident | 106 Ų | 106 | 98.3 Ų | 98.3 | 49% | 0.491 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 175 | -177.5 | -108.3 | 0 | 0 | 0 | 112.5 | D219 R220 Q226 L227 | D219-H223 WeakPolarHBondContact O-CB 3.47Å; D219-H223 PolarHBondContact O-N 3.45Å; R220-H223 PolarHBondContact O-N 2.67Å; H223-Q226 PolarHBondContact O-N 3.39Å; H223-L227 WeakPolarHBondContact O-CG 3.31Å; H223-L227 PolarHBondContact O-N 2.79Å |
| 224 | L | 78.2 | Confident | 78.3 | Confident | 84 Ų | 84 | 97.8 Ų | 97.8 | 44% | 0.44 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 174.1 | -74.2 | 174.5 | 0 | 0 | 0 | 112.1 | R220 E221 L227 R228 | R220-L224 PolarHBondContact O-N 2.88Å; E221-L224 PolarHBondContact O-N 3.44Å; L224-L227 PolarHBondContact O-N 3.43Å; L224-R228 WeakPolarHBondContact O-CG 3.35Å; L224-R228 PolarHBondContact O-N 3.14Å |
| 225 | Q | 81.7 | Confident | 77.8 | Confident | 76 Ų | 76 | 98.6 Ų | 98.6 | 36% | 0.355 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 176.4 | -168.3 | 59 | 33.4 | 0 | 0 | 111 | E221 A222 L227 R228 D229 | E221-Q225 WeakPolarHBondContact O-CB 3.25Å; E221-Q225 PolarHBondContact O-N 2.91Å; A222-Q225 PolarHBondContact O-N 3.15Å; Q225-L227 PolarHBondContact O-N 3.36Å; Q225-R228 CarbonylContact O-C 3.58Å; Q225-R228 PolarHBondContact O-N 2.84Å; Q225-D229 PolarHBondContact NE2-OD1 3.36Å; Q225-D229 VanDerWaalsContact O-CB 3.29Å; Q225-D229 WeakPolarHBondContact O-CB 3.5Å; Q225-D229 PolarHBondContact O-N 3.37Å |
| 226 | Q | 76.2 | Confident | 77.4 | Confident | 115 Ų | 115 | 97.2 Ų | 97.2 | 54% | 0.537 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.8 | -28.4 | 174.4 | -174.8 | 176.3 | 86.3 | 0 | 0 | 113 | A222 H223 R230 | A222-Q226 WeakPolarHBondContact O-CB 3.11Å; A222-Q226 PolarHBondContact O-N 2.93Å; H223-Q226 PolarHBondContact O-N 3.39Å; Q226-R230 WeakPolarHBondContact O-CB 3.37Å; Q226-R230 WeakPolarHBondContact O-CG 3.31Å; Q226-R230 PolarHBondContact O-N 3.18Å |
| 227 | L | 76.8 | Confident | 76.7 | Confident | 87 Ų | 87 | 97.6 Ų | 97.6 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -78.9 | -37.6 | 171.8 | -69.8 | 172.5 | 0 | 0 | 0 | 113 | H223 L224 Q225 L231 | H223-L227 WeakPolarHBondContact O-CG 3.31Å; H223-L227 PolarHBondContact O-N 2.79Å; L224-L227 PolarHBondContact O-N 3.43Å; Q225-L227 PolarHBondContact O-N 3.36Å; L227-L231 PolarHBondContact O-N 3.11Å |
| 228 | R | 84.5 | Confident | 75.5 | Confident | 116 Ų | 116 | 97.7 Ų | 97.7 | 44% | 0.438 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.3 | -49.3 | 172.3 | -65.8 | 172.7 | -165.5 | 135.4 | 2.7 | 110.8 | E221 L224 Q225 R230 L231 T232 | E221-R228 IonicContact OE1-CZ 3.28Å; E221-R228 IonicContact OE1-NH1 3.93Å; E221-R228 PolarHBondContact OE1-NH1 3.25Å; E221-R228 IonicContact OE1-NH2 2.65Å; E221-R228 PolarHBondContact OE1-NH2 3.09Å; L224-R228 WeakPolarHBondContact O-CG 3.35Å; L224-R228 PolarHBondContact O-N 3.14Å; Q225-R228 CarbonylContact O-C 3.58Å; Q225-R228 PolarHBondContact O-N 2.84Å; R228-R230 VanDerWaalsContact C-N 3.29Å; R228-R230 PolarHBondContact O-N 3.26Å; R228-L231 WeakPolarHBondContact O-CB 3.39Å; R228-L231 PolarHBondContact O-N 2.8Å; R228-T232 PolarHBondContact O-N 2.76Å; R228-T232 PolarHBondContact O-OG1 2.84Å |
| 229 | D | 75 | Confident | 75.1 | Confident | 58 Ų | 58 | 97.8 Ų | 97.8 | 31% | 0.31 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -56.1 | -42.3 | 177.8 | -70.5 | -8.5 | 0 | 0 | 0 | 111.4 | Q225 E233 Q770 | Q225-D229 PolarHBondContact NE2-OD1 3.36Å; Q225-D229 VanDerWaalsContact O-CB 3.29Å; Q225-D229 WeakPolarHBondContact O-CB 3.5Å; Q225-D229 PolarHBondContact O-N 3.37Å; D229-E233 WeakPolarHBondContact O-CB 3.42Å; D229-E233 PolarHBondContact O-N 3.45Å; D229-Q770 PolarHBondContact O-NE2 3.16Å |
| 230 | R | 76 | Confident | 74.1 | Confident | 151 Ų | 151 | 99.2 Ų | 99.2 | 57% | 0.57 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.6 | -34.6 | 173.5 | -92.4 | -179.5 | 157 | 179.1 | -4.8 | 113.8 | Q226 R228 L234 | Q226-R230 WeakPolarHBondContact O-CB 3.37Å; Q226-R230 WeakPolarHBondContact O-CG 3.31Å; Q226-R230 PolarHBondContact O-N 3.18Å; R228-R230 VanDerWaalsContact C-N 3.29Å; R228-R230 PolarHBondContact O-N 3.26Å; R230-L234 WeakPolarHBondContact O-CG 3.26Å; R230-L234 PolarHBondContact O-N 3.42Å; R230-L234 VanDerWaalsContact O-N 3.07Å |
| 231 | L | 73.1 | Confident | 73.1 | Confident | 108 Ų | 108 | 92.5 Ų | 92.5 | 57% | 0.565 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -69.9 | -49.7 | 178.1 | -152 | 91.5 | 0 | 0 | 0 | 110.1 | L227 R228 E233 L234 E235 | L227-L231 PolarHBondContact O-N 3.11Å; R228-L231 WeakPolarHBondContact O-CB 3.39Å; R228-L231 PolarHBondContact O-N 2.8Å; L231-E233 VanDerWaalsContact C-N 3.29Å; L231-E233 PolarHBondContact O-N 2.91Å; L231-L234 PolarHBondContact O-N 2.65Å; L231-L234 VanDerWaalsContact O-N 3.14Å; L231-E235 WeakPolarHBondContact O-CG 3.48Å; L231-E235 PolarHBondContact O-N 3.48Å |
| 232 | T | 81.1 | Confident | 71.6 | Confident | 72 Ų | 72 | 89.7 Ų | 89.7 | 44% | 0.442 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.5 | -27.3 | 177.2 | -55.1 | 0 | 0 | 0 | 0 | 112.4 | R228 T236 | R228-T232 PolarHBondContact O-N 2.76Å; R228-T232 PolarHBondContact O-OG1 2.84Å; T232-T236 HydrophobicContact CG2-CG2 4.41Å; T232-T236 WeakPolarHBondContact O-CB 3.21Å; T232-T236 VanDerWaalsContact O-CG2 3.31Å; T232-T236 WeakPolarHBondContact O-CG2 3.4Å; T232-T236 PolarHBondContact O-N 2.78Å; T232-T236 PolarHBondContact O-OG1 3.1Å |
| 233 | E | 72.8 | Confident | 70.9 | Confident | 49 Ų | 49 | 92.3 Ų | 92.3 | 23% | 0.229 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -62.7 | -49 | 167.1 | 170.8 | 172.3 | -146.6 | 0 | 0 | 111.4 | D229 L231 E235 T236 I237 Q774 | D229-E233 WeakPolarHBondContact O-CB 3.42Å; D229-E233 PolarHBondContact O-N 3.45Å; L231-E233 VanDerWaalsContact C-N 3.29Å; L231-E233 PolarHBondContact O-N 2.91Å; E233-E235 PolarHBondContact O-N 3.4Å; E233-T236 PolarHBondContact O-N 3.08Å; E233-T236 PolarHBondContact O-OG1 2.68Å; E233-I237 HydrophobicContact CG-CD1 3.67Å; E233-I237 HydrophobicContact CG-CG1 4.36Å; E233-I237 WeakPolarHBondContact O-CB 3.29Å; E233-I237 VanDerWaalsContact O-CG1 3.22Å; E233-I237 WeakPolarHBondContact O-CG1 3.38Å; E233-I237 PolarHBondContact O-N 3.22Å; E233-Q774 PolarHBondContact OE1-NE2 3.26Å; E233-Q774 PolarHBondContact OE2-NE2 3.31Å; E233-Q774 VanDerWaalsContact OE2-NE2 3.07Å |
| 234 | L | 69.8 | Low | 69.6 | Low | 107 Ų | 107 | 93.6 Ų | 93.6 | 56% | 0.56 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63 | -42.2 | 177.6 | -73.8 | 168.1 | 0 | 0 | 0 | 112.1 | R230 L231 I237 M238 | R230-L234 WeakPolarHBondContact O-CG 3.26Å; R230-L234 PolarHBondContact O-N 3.42Å; R230-L234 VanDerWaalsContact O-N 3.07Å; L231-L234 PolarHBondContact O-N 2.65Å; L231-L234 VanDerWaalsContact O-N 3.14Å; L234-I237 PolarHBondContact O-N 2.92Å; L234-M238 WeakPolarHBondContact O-CG 3.36Å; L234-M238 PolarHBondContact O-N 3.17Å; L234-M238 VanDerWaalsContact O-N 3.07Å |
| 235 | E | 73.5 | Confident | 68.8 | Low | 102 Ų | 102 | 94.6 Ų | 94.6 | 48% | 0.477 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 173.8 | -69 | 173.8 | 147.4 | 0 | 0 | 111.2 | L231 E233 I237 M238 D239 | L231-E235 WeakPolarHBondContact O-CG 3.48Å; L231-E235 PolarHBondContact O-N 3.48Å; E233-E235 PolarHBondContact O-N 3.4Å; E235-I237 PolarHBondContact O-N 2.78Å; E235-M238 PolarHBondContact O-N 3.12Å; E235-D239 PolarHBondContact O-N 2.99Å |
| 236 | T | 69.1 | Low | 67.8 | Low | 36 Ų | 36 | 94.2 Ų | 94.2 | 22% | 0.221 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -73.5 | -25.5 | 179.1 | 56.3 | 0 | 0 | 0 | 0 | 114 | T232 E233 M238 R240 | T232-T236 HydrophobicContact CG2-CG2 4.41Å; T232-T236 WeakPolarHBondContact O-CB 3.21Å; T232-T236 VanDerWaalsContact O-CG2 3.31Å; T232-T236 WeakPolarHBondContact O-CG2 3.4Å; T232-T236 PolarHBondContact O-N 2.78Å; T232-T236 PolarHBondContact O-OG1 3.1Å; E233-T236 PolarHBondContact O-N 3.08Å; E233-T236 PolarHBondContact O-OG1 2.68Å; T236-M238 VanDerWaalsContact C-N 3.34Å; T236-R240 WeakPolarHBondContact O-CB 3.26Å; T236-R240 WeakPolarHBondContact O-CD 3.45Å; T236-R240 WeakPolarHBondContact O-CG 3.35Å; T236-R240 PolarHBondContact O-N 3.2Å; T236-R240 PolarHBondContact OG1-NH1 3.3Å; T236-R240 VanDerWaalsContact OG1-NH1 3.12Å |
| 237 | I | 64.6 | Low | 67.1 | Low | 83 Ų | 83 | 93.3 Ų | 93.3 | 43% | 0.426 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 168.2 | -74.8 | 166.9 | 0 | 0 | 0 | 110.3 | E233 L234 E235 | E233-I237 HydrophobicContact CG-CD1 3.67Å; E233-I237 HydrophobicContact CG-CG1 4.36Å; E233-I237 WeakPolarHBondContact O-CB 3.29Å; E233-I237 VanDerWaalsContact O-CG1 3.22Å; E233-I237 WeakPolarHBondContact O-CG1 3.38Å; E233-I237 PolarHBondContact O-N 3.22Å; L234-I237 PolarHBondContact O-N 2.92Å; E235-I237 PolarHBondContact O-N 2.78Å |
| 238 | M | 60.4 | Low | 66.8 | Low | 125 Ų | 125 | 98.4 Ų | 98.4 | 62% | 0.616 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -70.6 | -33.9 | 176.7 | -74.8 | 174.6 | 47.4 | 0 | 0 | 113.3 | L234 E235 T236 | L234-M238 WeakPolarHBondContact O-CG 3.36Å; L234-M238 PolarHBondContact O-N 3.17Å; L234-M238 VanDerWaalsContact O-N 3.07Å; E235-M238 PolarHBondContact O-N 3.12Å; T236-M238 VanDerWaalsContact C-N 3.34Å |
| 239 | D | 68.9 | Low | 66 | Low | 125 Ų | 125 | 98.4 Ų | 98.4 | 67% | 0.668 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -91.6 | -19.4 | -176.7 | -76.7 | -14 | 0 | 0 | 0 | 114.7 | E235 G241 | E235-D239 PolarHBondContact O-N 2.99Å; D239-G241 VanDerWaalsContact C-N 3.33Å; D239-G241 PolarHBondContact O-N 2.89Å |
| 240 | R | 59.8 | Low | 66 | Low | 145 Ų | 145 | 99.7 Ų | 99.7 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -78.2 | -3.4 | -177.8 | -79.8 | 171.9 | 172.4 | 142.8 | -2.3 | 116.1 | T236 G242 C767 | T236-R240 WeakPolarHBondContact O-CB 3.26Å; T236-R240 WeakPolarHBondContact O-CD 3.45Å; T236-R240 WeakPolarHBondContact O-CG 3.35Å; T236-R240 PolarHBondContact O-N 3.2Å; T236-R240 PolarHBondContact OG1-NH1 3.3Å; T236-R240 VanDerWaalsContact OG1-NH1 3.12Å; R240-G242 PolarHBondContact O-N 3.49Å; R240-C767 PolarHBondContact NH1-SG 3.29Å; R240-C767 VanDerWaalsContact NH1-SG 3.38Å; R240-C767 PolarHBondContact NH2-SG 3.13Å |
| 241 | G | 52.6 | Low | 65.7 | Low | 40 Ų | 40 | 95 Ų | 95 | 41% | 0.412 | 50% | 0.497 | S | S | . | . | trans | 67.2 | -12.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | D239 L243 L244 | D239-G241 VanDerWaalsContact C-N 3.33Å; D239-G241 PolarHBondContact O-N 2.89Å; G241-L243 PolarHBondContact O-N 3.17Å; G241-L244 PolarHBondContact O-N 2.96Å | ||
| 242 | G | 54.5 | Low | 65.8 | Low | 40 Ų | 40 | 92.9 Ų | 92.9 | 41% | 0.412 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -9.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | R240 L244 T245 E246 | R240-G242 PolarHBondContact O-N 3.49Å; G242-L244 PolarHBondContact O-N 2.81Å; G242-L244 VanDerWaalsContact O-N 3.16Å; G242-T245 PolarHBondContact O-N 2.83Å; G242-T245 PolarHBondContact O-OG1 3.36Å; G242-E246 PolarHBondContact O-N 3.25Å; G242-E246 VanDerWaalsContact O-N 3.15Å |
| 243 | L | 57.1 | Low | 65.3 | Low | 114 Ų | 114 | 94.1 Ų | 94.1 | 60% | 0.597 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.5 | -24.3 | 172.8 | -74 | 163.7 | 0 | 0 | 0 | 112.6 | G241 N247 | G241-L243 PolarHBondContact O-N 3.17Å; L243-N247 WeakPolarHBondContact O-CB 3.44Å; L243-N247 PolarHBondContact O-N 3.02Å |
| 244 | L | 56.3 | Low | 65.6 | Low | 132 Ų | 132 | 95.9 Ų | 95.9 | 69% | 0.691 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -71.6 | -41.5 | 175.7 | -82.8 | 155.3 | 0 | 0 | 0 | 113.5 | G241 G242 N247 Y248 | G241-L244 PolarHBondContact O-N 2.96Å; G242-L244 PolarHBondContact O-N 2.81Å; G242-L244 VanDerWaalsContact O-N 3.16Å; L244-N247 WeakPolarHBondContact O-CB 3.44Å; L244-N247 PolarHBondContact O-N 3.28Å; L244-Y248 PolarHBondContact O-N 3.06Å |
| 245 | T | 62 | Low | 66 | Low | 106 Ų | 106 | 93.5 Ų | 93.5 | 65% | 0.65 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -70.3 | -36.8 | 174.3 | 22.9 | 0 | 0 | 0 | 0 | 111.4 | G242 N247 Y248 R249 | G242-T245 PolarHBondContact O-N 2.83Å; G242-T245 PolarHBondContact O-OG1 3.36Å; T245-N247 VanDerWaalsContact C-N 3.3Å; T245-N247 PolarHBondContact O-N 3.35Å; T245-Y248 PolarHBondContact O-N 3.06Å; T245-R249 PolarHBondContact O-N 3.09Å; T245-R249 VanDerWaalsContact O-N 3.08Å |
| 246 | E | 60.1 | Low | 66.2 | Low | 67 Ų | 67 | 94.8 Ų | 94.8 | 31% | 0.313 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.6 | -34.9 | 170.7 | -175.6 | 57.8 | -166.6 | 0 | 0 | 111.6 | G242 Y248 R249 L250 | G242-E246 PolarHBondContact O-N 3.25Å; G242-E246 VanDerWaalsContact O-N 3.15Å; E246-Y248 VanDerWaalsContact C-N 3.3Å; E246-Y248 PolarHBondContact O-N 3.09Å; E246-R249 VanDerWaalsContact CD-NE 3.31Å; E246-R249 CarbonylContact O-C 3.57Å; E246-R249 WeakPolarHBondContact O-CA 3.37Å; E246-R249 WeakPolarHBondContact O-CB 3.47Å; E246-R249 PolarHBondContact O-N 3.15Å; E246-R249 VanDerWaalsContact O-N 3.1Å; E246-R249 IonicContact OE1-CZ 3.18Å; E246-R249 VanDerWaalsContact OE1-CZ 3.3Å; E246-R249 IonicContact OE1-NE 2.73Å; E246-R249 PolarHBondContact OE1-NE 3.21Å; E246-R249 VanDerWaalsContact OE1-NE 3.07Å; E246-R249 IonicContact OE1-NH2 3.75Å; E246-R249 PolarHBondContact OE1-NH2 2.95Å; E246-R249 WeakPolarHBondContact OE2-CD 3.4Å; E246-R249 IonicContact OE2-CZ 2.75Å; E246-R249 IonicContact OE2-NE 3.71Å; E246-R249 PolarHBondContact OE2-NE 3.06Å; E246-R249 IonicContact OE2-NH2 2.73Å; E246-L250 HydrophobicContact CG-CD1 4.26Å; E246-L250 HydrophobicContact CG-CG 4.42Å; E246-L250 WeakPolarHBondContact O-CB 3.46Å; E246-L250 WeakPolarHBondContact O-CG 3.44Å; E246-L250 PolarHBondContact O-N 3.34Å |
| 247 | N | 61.7 | Low | 66.7 | Low | 96 Ų | 96 | 98.6 Ų | 98.6 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.8 | -35.5 | 173.3 | -133.3 | -22.6 | 0 | 0 | 0 | 112.3 | L243 L244 T245 L250 A251 | L243-N247 WeakPolarHBondContact O-CB 3.44Å; L243-N247 PolarHBondContact O-N 3.02Å; L244-N247 WeakPolarHBondContact O-CB 3.44Å; L244-N247 PolarHBondContact O-N 3.28Å; T245-N247 VanDerWaalsContact C-N 3.3Å; T245-N247 PolarHBondContact O-N 3.35Å; N247-L250 PolarHBondContact O-N 3.47Å; N247-A251 WeakPolarHBondContact O-CB 3.32Å; N247-A251 PolarHBondContact O-N 3.09Å |
| 248 | Y | 69.2 | Low | 67.3 | Low | 194 Ų | 194 | 99.8 Ų | 99.8 | 76% | 0.761 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.9 | -36.9 | 172.1 | -161.3 | -93.2 | 0 | 0 | 0 | 112.1 | L244 T245 E246 A251 S252 | L244-Y248 PolarHBondContact O-N 3.06Å; T245-Y248 PolarHBondContact O-N 3.06Å; E246-Y248 VanDerWaalsContact C-N 3.3Å; E246-Y248 PolarHBondContact O-N 3.09Å; Y248-A251 PolarHBondContact O-N 2.92Å; Y248-S252 PolarHBondContact O-N 2.65Å |
| 249 | R | 68.5 | Low | 68.4 | Low | 116 Ų | 116 | 97.7 Ų | 97.7 | 44% | 0.438 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 172.9 | -162.1 | -179.6 | 75.7 | 125.8 | -1.5 | 111.8 | T245 E246 S252 K253 | T245-R249 PolarHBondContact O-N 3.09Å; T245-R249 VanDerWaalsContact O-N 3.08Å; E246-R249 VanDerWaalsContact CD-NE 3.31Å; E246-R249 CarbonylContact O-C 3.57Å; E246-R249 WeakPolarHBondContact O-CA 3.37Å; E246-R249 WeakPolarHBondContact O-CB 3.47Å; E246-R249 PolarHBondContact O-N 3.15Å; E246-R249 VanDerWaalsContact O-N 3.1Å; E246-R249 IonicContact OE1-CZ 3.18Å; E246-R249 VanDerWaalsContact OE1-CZ 3.3Å; E246-R249 IonicContact OE1-NE 2.73Å; E246-R249 PolarHBondContact OE1-NE 3.21Å; E246-R249 VanDerWaalsContact OE1-NE 3.07Å; E246-R249 IonicContact OE1-NH2 3.75Å; E246-R249 PolarHBondContact OE1-NH2 2.95Å; E246-R249 WeakPolarHBondContact OE2-CD 3.4Å; E246-R249 IonicContact OE2-CZ 2.75Å; E246-R249 IonicContact OE2-NE 3.71Å; E246-R249 PolarHBondContact OE2-NE 3.06Å; E246-R249 IonicContact OE2-NH2 2.73Å; R249-S252 WeakPolarHBondContact O-CB 3.29Å; R249-S252 PolarHBondContact O-N 2.84Å; R249-K253 PolarHBondContact O-N 2.81Å |
| 250 | L | 74.7 | Confident | 68.7 | Low | 86 Ų | 86 | 94.3 Ų | 94.3 | 45% | 0.45 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 174.5 | -70.6 | 170.8 | 0 | 0 | 0 | 111.8 | E246 N247 S252 K253 L254 | E246-L250 HydrophobicContact CG-CD1 4.26Å; E246-L250 HydrophobicContact CG-CG 4.42Å; E246-L250 WeakPolarHBondContact O-CB 3.46Å; E246-L250 WeakPolarHBondContact O-CG 3.44Å; E246-L250 PolarHBondContact O-N 3.34Å; N247-L250 PolarHBondContact O-N 3.47Å; L250-S252 VanDerWaalsContact C-N 3.34Å; L250-S252 PolarHBondContact O-N 3.41Å; L250-K253 CarbonylContact O-C 3.55Å; L250-K253 PolarHBondContact O-N 3.46Å; L250-L254 WeakPolarHBondContact O-CB 3.45Å; L250-L254 PolarHBondContact O-N 3.01Å |
| 251 | A | 69.4 | Low | 69.7 | Low | 53 Ų | 53 | 93.1 Ų | 93.1 | 44% | 0.438 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N247 Y248 L254 A255 | N247-A251 WeakPolarHBondContact O-CB 3.32Å; N247-A251 PolarHBondContact O-N 3.09Å; Y248-A251 PolarHBondContact O-N 2.92Å; A251-L254 WeakPolarHBondContact O-CB 3.13Å; A251-L254 PolarHBondContact O-N 2.84Å; A251-A255 PolarHBondContact O-N 2.83Å |
| 252 | S | 75.3 | Confident | 71.1 | Confident | 63 Ų | 63 | 95.8 Ų | 95.8 | 44% | 0.441 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -45 | 172.8 | -169.4 | 0 | 0 | 0 | 0 | 112 | Y248 R249 L250 L254 A255 Q256 | Y248-S252 PolarHBondContact O-N 2.65Å; R249-S252 WeakPolarHBondContact O-CB 3.29Å; R249-S252 PolarHBondContact O-N 2.84Å; L250-S252 VanDerWaalsContact C-N 3.34Å; L250-S252 PolarHBondContact O-N 3.41Å; S252-L254 VanDerWaalsContact C-N 3.3Å; S252-L254 PolarHBondContact O-N 3.06Å; S252-A255 PolarHBondContact O-N 3.08Å; S252-Q256 WeakPolarHBondContact O-CG 3.29Å; S252-Q256 PolarHBondContact O-N 3.2Å |
| 253 | K | 72.3 | Confident | 72.5 | Confident | 98 Ų | 98 | 100.4 Ų | 100.4 | 43% | 0.426 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -36.3 | 170.7 | -82.3 | -169.1 | 171 | -172.4 | 0 | 112.5 | R249 L250 Q256 L257 | R249-K253 PolarHBondContact O-N 2.81Å; L250-K253 CarbonylContact O-C 3.55Å; L250-K253 PolarHBondContact O-N 3.46Å; K253-Q256 PolarHBondContact O-N 2.9Å; K253-L257 WeakPolarHBondContact O-CB 3.35Å; K253-L257 WeakPolarHBondContact O-CG 3.4Å; K253-L257 PolarHBondContact O-N 2.99Å |
| 254 | L | 77.9 | Confident | 73.4 | Confident | 86 Ų | 86 | 100.5 Ų | 100.5 | 45% | 0.45 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 175.4 | -166.2 | 80.9 | 0 | 0 | 0 | 111.1 | L250 A251 S252 L257 Q258 | L250-L254 WeakPolarHBondContact O-CB 3.45Å; L250-L254 PolarHBondContact O-N 3.01Å; A251-L254 WeakPolarHBondContact O-CB 3.13Å; A251-L254 PolarHBondContact O-N 2.84Å; S252-L254 VanDerWaalsContact C-N 3.3Å; S252-L254 PolarHBondContact O-N 3.06Å; L254-L257 PolarHBondContact O-N 3.42Å; L254-Q258 WeakPolarHBondContact O-CB 3.3Å; L254-Q258 VanDerWaalsContact O-CG 3.31Å; L254-Q258 WeakPolarHBondContact O-CG 3.34Å; L254-Q258 PolarHBondContact O-N 3.17Å |
| 255 | A | 78.1 | Confident | 74.5 | Confident | 56 Ų | 56 | 100.3 Ų | 100.3 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A251 S252 Q258 E259 | A251-A255 PolarHBondContact O-N 2.83Å; S252-A255 PolarHBondContact O-N 3.08Å; A255-Q258 PolarHBondContact O-N 3.37Å; A255-E259 PolarHBondContact O-N 2.81Å |
| 256 | Q | 77.6 | Confident | 75.4 | Confident | 130 Ų | 130 | 101.8 Ų | 101.8 | 61% | 0.607 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.5 | -44.5 | 173 | -70.5 | 177.7 | -9.5 | 0 | 0 | 111.9 | S252 K253 Q258 E259 A260 | S252-Q256 WeakPolarHBondContact O-CG 3.29Å; S252-Q256 PolarHBondContact O-N 3.2Å; K253-Q256 PolarHBondContact O-N 2.9Å; Q256-Q258 VanDerWaalsContact C-N 3.32Å; Q256-Q258 PolarHBondContact O-N 3.25Å; Q256-E259 PolarHBondContact O-N 2.9Å; Q256-A260 WeakPolarHBondContact O-CB 3.48Å; Q256-A260 PolarHBondContact O-N 2.91Å |
| 257 | L | 79.1 | Confident | 76.2 | Confident | 116 Ų | 116 | 103 Ų | 103 | 61% | 0.607 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.2 | -35.4 | 174 | -75 | 169.4 | 0 | 0 | 0 | 112.3 | K253 L254 A260 H261 | K253-L257 WeakPolarHBondContact O-CB 3.35Å; K253-L257 WeakPolarHBondContact O-CG 3.4Å; K253-L257 PolarHBondContact O-N 2.99Å; L254-L257 PolarHBondContact O-N 3.42Å; L257-A260 PolarHBondContact O-N 3.22Å; L257-H261 VanDerWaalsContact O-CB 3.25Å; L257-H261 WeakPolarHBondContact O-CB 3.33Å; L257-H261 PolarHBondContact O-N 3.35Å |
| 258 | Q | 78.8 | Confident | 77 | Confident | 107 Ų | 107 | 103.2 Ų | 103.2 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.4 | -37.5 | 174.5 | -76.9 | 179.3 | 13.1 | 0 | 0 | 112.8 | L254 A255 Q256 K262 | L254-Q258 WeakPolarHBondContact O-CB 3.3Å; L254-Q258 VanDerWaalsContact O-CG 3.31Å; L254-Q258 WeakPolarHBondContact O-CG 3.34Å; L254-Q258 PolarHBondContact O-N 3.17Å; A255-Q258 PolarHBondContact O-N 3.37Å; Q256-Q258 VanDerWaalsContact C-N 3.32Å; Q256-Q258 PolarHBondContact O-N 3.25Å; Q258-K262 WeakPolarHBondContact O-CB 3.45Å; Q258-K262 VanDerWaalsContact O-CE 3.3Å; Q258-K262 WeakPolarHBondContact O-CE 3.35Å; Q258-K262 WeakPolarHBondContact O-CG 3.42Å; Q258-K262 PolarHBondContact O-N 2.77Å |
| 259 | E | 82.5 | Confident | 77.3 | Confident | 82 Ų | 82 | 97.1 Ų | 97.1 | 38% | 0.383 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -76.5 | -32.8 | 174.1 | -162.5 | 59.7 | -142 | 0 | 0 | 112 | A255 Q256 K262 K263 R266 | A255-E259 PolarHBondContact O-N 2.81Å; Q256-E259 PolarHBondContact O-N 2.9Å; E259-K262 CarbonylContact O-C 3.55Å; E259-K262 PolarHBondContact O-N 3.49Å; E259-K262 WeakPolarHBondContact OE2-CD 3.39Å; E259-K262 VanDerWaalsContact OE2-CE 3.22Å; E259-K262 WeakPolarHBondContact OE2-CE 3.46Å; E259-K262 IonicContact OE2-NZ 2.71Å; E259-K262 PolarHBondContact OE2-NZ 3.37Å; E259-K263 WeakPolarHBondContact O-CB 3.49Å; E259-K263 PolarHBondContact O-N 3.43Å; E259-R266 IonicContact OE1-CZ 3.7Å; E259-R266 IonicContact OE1-NH1 2.96Å; E259-R266 PolarHBondContact OE1-NH1 2.91Å; E259-R266 IonicContact OE1-NH2 3.25Å |
| 260 | A | 74.6 | Confident | 77.7 | Confident | 54 Ų | 54 | 95.1 Ų | 95.1 | 45% | 0.446 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q256 L257 K262 K263 E264 | Q256-A260 WeakPolarHBondContact O-CB 3.48Å; Q256-A260 PolarHBondContact O-N 2.91Å; L257-A260 PolarHBondContact O-N 3.22Å; A260-K262 VanDerWaalsContact C-N 3.33Å; A260-K262 PolarHBondContact O-N 3.47Å; A260-K263 CarbonylContact O-C 3.56Å; A260-K263 WeakPolarHBondContact O-CA 3.3Å; A260-K263 WeakPolarHBondContact O-CB 3.23Å; A260-K263 PolarHBondContact O-N 3.26Å; A260-K263 VanDerWaalsContact O-N 3.07Å; A260-E264 WeakPolarHBondContact O-CB 3.21Å; A260-E264 PolarHBondContact O-N 3.06Å |
| 261 | H | 82.4 | Confident | 77.8 | Confident | 119 Ų | 119 | 99.2 Ų | 99.2 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.8 | -30.3 | 174.6 | 179.5 | -110.6 | 0 | 0 | 0 | 112.7 | L257 E264 K265 | L257-H261 VanDerWaalsContact O-CB 3.25Å; L257-H261 WeakPolarHBondContact O-CB 3.33Å; L257-H261 PolarHBondContact O-N 3.35Å; H261-E264 IonicContact CD2-OE2 3.52Å; H261-K265 VanDerWaalsContact O-CB 3.24Å; H261-K265 WeakPolarHBondContact O-CB 3.31Å; H261-K265 PolarHBondContact O-N 3.02Å |
| 262 | K | 80.6 | Confident | 78.2 | Confident | 97 Ų | 97 | 102.7 Ų | 102.7 | 42% | 0.422 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 167.5 | -83 | 176.8 | -104 | 163.1 | 0 | 112 | Q258 E259 A260 R266 | Q258-K262 WeakPolarHBondContact O-CB 3.45Å; Q258-K262 VanDerWaalsContact O-CE 3.3Å; Q258-K262 WeakPolarHBondContact O-CE 3.35Å; Q258-K262 WeakPolarHBondContact O-CG 3.42Å; Q258-K262 PolarHBondContact O-N 2.77Å; E259-K262 CarbonylContact O-C 3.55Å; E259-K262 PolarHBondContact O-N 3.49Å; E259-K262 WeakPolarHBondContact OE2-CD 3.39Å; E259-K262 VanDerWaalsContact OE2-CE 3.22Å; E259-K262 WeakPolarHBondContact OE2-CE 3.46Å; E259-K262 IonicContact OE2-NZ 2.71Å; E259-K262 PolarHBondContact OE2-NZ 3.37Å; A260-K262 VanDerWaalsContact C-N 3.33Å; A260-K262 PolarHBondContact O-N 3.47Å; K262-R266 WeakPolarHBondContact O-CG 3.41Å; K262-R266 PolarHBondContact O-N 3.49Å |
| 263 | K | 84.2 | Confident | 78.3 | Confident | 137 Ų | 137 | 105.6 Ų | 105.6 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.5 | -42.2 | 175.3 | -170.9 | -177.2 | 178.4 | -173.4 | 0 | 111.4 | E259 A260 R266 L267 | E259-K263 WeakPolarHBondContact O-CB 3.49Å; E259-K263 PolarHBondContact O-N 3.43Å; A260-K263 CarbonylContact O-C 3.56Å; A260-K263 WeakPolarHBondContact O-CA 3.3Å; A260-K263 WeakPolarHBondContact O-CB 3.23Å; A260-K263 PolarHBondContact O-N 3.26Å; A260-K263 VanDerWaalsContact O-N 3.07Å; K263-R266 WeakPolarHBondContact O-CB 3.41Å; K263-R266 PolarHBondContact O-N 2.92Å; K263-L267 HydrophobicContact CG-CD1 4.36Å; K263-L267 WeakPolarHBondContact O-CB 3.46Å; K263-L267 WeakPolarHBondContact O-CG 3.33Å; K263-L267 PolarHBondContact O-N 3.41Å |
| 264 | E | 75.5 | Confident | 78.2 | Confident | 116 Ų | 116 | 105.6 Ų | 105.6 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 172.8 | -175.8 | 177.9 | -155.1 | 0 | 0 | 111.4 | A260 H261 R266 L267 M268 | A260-E264 WeakPolarHBondContact O-CB 3.21Å; A260-E264 PolarHBondContact O-N 3.06Å; H261-E264 IonicContact CD2-OE2 3.52Å; E264-R266 PolarHBondContact O-N 3.21Å; E264-L267 CarbonylContact O-C 3.54Å; E264-L267 PolarHBondContact O-N 3.33Å; E264-M268 WeakPolarHBondContact O-CB 3.25Å; E264-M268 PolarHBondContact O-N 2.95Å |
| 265 | K | 79.3 | Confident | 78.1 | Confident | 128 Ų | 128 | 105 Ų | 105 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.4 | -36.4 | 174.1 | -176.5 | 168.8 | -179.1 | 172.6 | 0 | 112.8 | H261 M268 C269 | H261-K265 VanDerWaalsContact O-CB 3.24Å; H261-K265 WeakPolarHBondContact O-CB 3.31Å; H261-K265 PolarHBondContact O-N 3.02Å; K265-M268 PolarHBondContact O-N 3.38Å; K265-C269 WeakPolarHBondContact O-CB 3.23Å; K265-C269 PolarHBondContact O-N 3.4Å; K265-C269 PolarHBondContact O-SG 3.45Å; K265-C269 VanDerWaalsContact O-SG 3.38Å |
| 266 | R | 82.3 | Confident | 78 | Confident | 136 Ų | 136 | 109 Ų | 109 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.6 | -56.7 | 169 | -74.6 | 174.5 | -169.3 | 121.8 | -0.1 | 109.3 | E259 K262 K263 E264 M268 C269 D270 | E259-R266 IonicContact OE1-CZ 3.7Å; E259-R266 IonicContact OE1-NH1 2.96Å; E259-R266 PolarHBondContact OE1-NH1 2.91Å; E259-R266 IonicContact OE1-NH2 3.25Å; K262-R266 WeakPolarHBondContact O-CG 3.41Å; K262-R266 PolarHBondContact O-N 3.49Å; K263-R266 WeakPolarHBondContact O-CB 3.41Å; K263-R266 PolarHBondContact O-N 2.92Å; E264-R266 PolarHBondContact O-N 3.21Å; R266-M268 PolarHBondContact O-N 3.13Å; R266-M268 VanDerWaalsContact O-N 3.1Å; R266-C269 CarbonylContact O-C 3.57Å; R266-C269 WeakPolarHBondContact O-CA 3.36Å; R266-C269 WeakPolarHBondContact O-CB 3.22Å; R266-C269 PolarHBondContact O-N 2.84Å; R266-D270 PolarHBondContact O-N 3.29Å; R266-D270 VanDerWaalsContact O-OD2 3.09Å |
| 267 | L | 76.5 | Confident | 77.8 | Confident | 94 Ų | 94 | 105.1 Ų | 105.1 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -55.5 | -32.2 | 177.6 | -71.4 | 166.6 | 0 | 0 | 0 | 113.9 | K263 E264 D270 R271 | K263-L267 HydrophobicContact CG-CD1 4.36Å; K263-L267 WeakPolarHBondContact O-CB 3.46Å; K263-L267 WeakPolarHBondContact O-CG 3.33Å; K263-L267 PolarHBondContact O-N 3.41Å; E264-L267 CarbonylContact O-C 3.54Å; E264-L267 PolarHBondContact O-N 3.33Å; L267-D270 WeakPolarHBondContact CA-OD2 3.39Å; L267-D270 PolarHBondContact N-OD2 2.83Å; L267-R271 WeakPolarHBondContact O-CB 3.44Å; L267-R271 WeakPolarHBondContact O-CG 3.49Å; L267-R271 PolarHBondContact O-N 3.1Å |
| 268 | M | 79.4 | Confident | 77.3 | Confident | 99 Ų | 99 | 101 Ų | 101 | 49% | 0.488 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -73.1 | -41.8 | 173.8 | -170.6 | -168.6 | -66.1 | 0 | 0 | 111.8 | E264 K265 R266 D270 R271 F272 | E264-M268 WeakPolarHBondContact O-CB 3.25Å; E264-M268 PolarHBondContact O-N 2.95Å; K265-M268 PolarHBondContact O-N 3.38Å; R266-M268 PolarHBondContact O-N 3.13Å; R266-M268 VanDerWaalsContact O-N 3.1Å; M268-D270 VanDerWaalsContact C-N 3.34Å; M268-R271 PolarHBondContact O-N 3.2Å; M268-F272 HydrophobicContact CG-CD2 4Å; M268-F272 HydrophobicContact CG-CE2 3.7Å; M268-F272 WeakPolarHBondContact O-CD2 3.46Å; M268-F272 PolarHBondContact O-N 2.67Å; M268-F272 HydrophobicContact SD-CE2 4.05Å |
| 269 | C | 75 | Confident | 77.2 | Confident | 66 Ų | 66 | 98.8 Ų | 98.8 | 45% | 0.446 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 170.1 | -72.2 | 0 | 0 | 0 | 0 | 111.8 | K265 R266 F272 E273 | K265-C269 WeakPolarHBondContact O-CB 3.23Å; K265-C269 PolarHBondContact O-N 3.4Å; K265-C269 PolarHBondContact O-SG 3.45Å; K265-C269 VanDerWaalsContact O-SG 3.38Å; R266-C269 CarbonylContact O-C 3.57Å; R266-C269 WeakPolarHBondContact O-CA 3.36Å; R266-C269 WeakPolarHBondContact O-CB 3.22Å; R266-C269 PolarHBondContact O-N 2.84Å; C269-F272 PolarHBondContact O-N 3.22Å; C269-E273 WeakPolarHBondContact O-CB 3.45Å; C269-E273 PolarHBondContact O-N 2.59Å |
| 270 | D | 76.3 | Confident | 76.8 | Confident | 74 Ų | 74 | 99.6 Ų | 99.6 | 40% | 0.396 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 177.3 | -54.6 | -31.9 | 0 | 0 | 0 | 110.2 | R266 L267 M268 E273 Q274 | R266-D270 PolarHBondContact O-N 3.29Å; R266-D270 VanDerWaalsContact O-OD2 3.09Å; L267-D270 WeakPolarHBondContact CA-OD2 3.39Å; L267-D270 PolarHBondContact N-OD2 2.83Å; M268-D270 VanDerWaalsContact C-N 3.34Å; D270-E273 PolarHBondContact O-N 2.81Å; D270-Q274 WeakPolarHBondContact O-CB 3.19Å; D270-Q274 WeakPolarHBondContact O-CG 3.39Å; D270-Q274 PolarHBondContact O-N 3.46Å |
| 271 | R | 75.9 | Confident | 76.8 | Confident | 173 Ų | 173 | 100.6 Ų | 100.6 | 65% | 0.653 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.1 | -47.7 | 169.1 | -80.9 | -177.9 | -174.7 | -166.1 | 1.7 | 112.4 | L267 M268 E273 Q274 Q275 | L267-R271 WeakPolarHBondContact O-CB 3.44Å; L267-R271 WeakPolarHBondContact O-CG 3.49Å; L267-R271 PolarHBondContact O-N 3.1Å; M268-R271 PolarHBondContact O-N 3.2Å; R271-E273 VanDerWaalsContact C-N 3.29Å; R271-E273 PolarHBondContact O-N 2.84Å; R271-Q274 WeakPolarHBondContact O-CB 3.44Å; R271-Q274 PolarHBondContact O-N 2.98Å; R271-Q275 WeakPolarHBondContact O-CG 3.43Å; R271-Q275 PolarHBondContact O-N 2.94Å |
| 272 | F | 78.7 | Confident | 76.6 | Confident | 125 Ų | 125 | 98.1 Ų | 98.1 | 55% | 0.548 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.4 | -33.2 | 177.5 | -77.5 | -54.8 | 0 | 0 | 0 | 112.3 | M268 C269 F276 | M268-F272 HydrophobicContact CG-CD2 4Å; M268-F272 HydrophobicContact CG-CE2 3.7Å; M268-F272 WeakPolarHBondContact O-CD2 3.46Å; M268-F272 PolarHBondContact O-N 2.67Å; M268-F272 HydrophobicContact SD-CE2 4.05Å; C269-F272 PolarHBondContact O-N 3.22Å; F272-F276 WeakPolarHBondContact O-CB 3.09Å; F272-F276 PolarHBondContact O-N 2.88Å |
| 273 | E | 76.9 | Confident | 76.6 | Confident | 124 Ų | 124 | 98.8 Ų | 98.8 | 58% | 0.579 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -72 | -36.9 | 173 | -177.3 | 161.8 | -177.4 | 0 | 0 | 111.1 | C269 D270 R271 F276 N277 | C269-E273 WeakPolarHBondContact O-CB 3.45Å; C269-E273 PolarHBondContact O-N 2.59Å; D270-E273 PolarHBondContact O-N 2.81Å; R271-E273 VanDerWaalsContact C-N 3.29Å; R271-E273 PolarHBondContact O-N 2.84Å; E273-F276 PolarHBondContact O-N 3.38Å; E273-N277 VanDerWaalsContact CG-ND2 3.33Å; E273-N277 WeakPolarHBondContact CG-ND2 3.31Å; E273-N277 VanDerWaalsContact O-CB 3.31Å; E273-N277 WeakPolarHBondContact O-CB 3.47Å; E273-N277 PolarHBondContact O-N 2.97Å; E273-N277 PolarHBondContact O-ND2 3.29Å |
| 274 | Q | 70.4 | Confident | 76.3 | Confident | 98 Ų | 98 | 98 Ų | 98 | 46% | 0.458 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.7 | -54.3 | 170.1 | -76.3 | 167.7 | 6.2 | 0 | 0 | 111.1 | D270 R271 F276 N277 Q278 | D270-Q274 WeakPolarHBondContact O-CB 3.19Å; D270-Q274 WeakPolarHBondContact O-CG 3.39Å; D270-Q274 PolarHBondContact O-N 3.46Å; R271-Q274 WeakPolarHBondContact O-CB 3.44Å; R271-Q274 PolarHBondContact O-N 2.98Å; Q274-F276 VanDerWaalsContact C-N 3.32Å; Q274-F276 PolarHBondContact O-N 3.41Å; Q274-N277 CarbonylContact O-C 3.59Å; Q274-N277 PolarHBondContact O-N 2.82Å; Q274-N277 VanDerWaalsContact O-N 3.12Å; Q274-Q278 WeakPolarHBondContact O-CB 3.23Å; Q274-Q278 WeakPolarHBondContact O-CG 3.41Å; Q274-Q278 PolarHBondContact O-N 3.43Å; Q274-Q278 PolarHBondContact O-OE1 2.9Å; Q274-Q278 VanDerWaalsContact O-OE1 3.12Å |
| 275 | Q | 76.9 | Confident | 76.3 | Confident | 73 Ų | 73 | 95.1 Ų | 95.1 | 34% | 0.341 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56.1 | -42.9 | 175.5 | -69.7 | 179.8 | -47.5 | 0 | 0 | 112 | R271 Q278 L279 E360 | R271-Q275 WeakPolarHBondContact O-CG 3.43Å; R271-Q275 PolarHBondContact O-N 2.94Å; Q275-Q278 PolarHBondContact O-N 3.48Å; Q275-L279 WeakPolarHBondContact O-CB 3.46Å; Q275-L279 PolarHBondContact O-N 3.36Å; Q275-E360 WeakPolarHBondContact CA-OE2 3.4Å; Q275-E360 WeakPolarHBondContact CG-OE2 3.23Å |
| 276 | F | 74.4 | Confident | 76.4 | Confident | 141 Ų | 141 | 92.2 Ų | 92.2 | 62% | 0.618 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.5 | -39.5 | 176.8 | -177.3 | -94.9 | 0 | 0 | 0 | 113 | F272 E273 Q274 R280 | F272-F276 WeakPolarHBondContact O-CB 3.09Å; F272-F276 PolarHBondContact O-N 2.88Å; E273-F276 PolarHBondContact O-N 3.38Å; Q274-F276 VanDerWaalsContact C-N 3.32Å; Q274-F276 PolarHBondContact O-N 3.41Å; F276-R280 WeakPolarHBondContact O-CB 3.33Å; F276-R280 PolarHBondContact O-N 3.32Å; F276-R280 VanDerWaalsContact O-N 3.09Å |
| 277 | N | 73.8 | Confident | 76.2 | Confident | 48 Ų | 48 | 88.4 Ų | 88.4 | 26% | 0.257 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 173.4 | -83.4 | -74.9 | 0 | 0 | 0 | 111.2 | E273 Q274 R280 D281 | E273-N277 VanDerWaalsContact CG-ND2 3.33Å; E273-N277 WeakPolarHBondContact CG-ND2 3.31Å; E273-N277 VanDerWaalsContact O-CB 3.31Å; E273-N277 WeakPolarHBondContact O-CB 3.47Å; E273-N277 PolarHBondContact O-N 2.97Å; E273-N277 PolarHBondContact O-ND2 3.29Å; Q274-N277 CarbonylContact O-C 3.59Å; Q274-N277 PolarHBondContact O-N 2.82Å; Q274-N277 VanDerWaalsContact O-N 3.12Å; N277-R280 WeakPolarHBondContact O-CB 3.49Å; N277-R280 PolarHBondContact O-N 2.93Å; N277-R280 PolarHBondContact O-NH2 3.36Å; N277-R280 VanDerWaalsContact OD1-CZ 3.26Å; N277-R280 PolarHBondContact OD1-NH1 3.48Å; N277-R280 PolarHBondContact OD1-NH2 2.93Å; N277-D281 WeakPolarHBondContact O-CB 3.15Å; N277-D281 PolarHBondContact O-N 3.24Å; N277-D281 VanDerWaalsContact O-OD1 3.11Å |
| 278 | Q | 69.6 | Low | 76.5 | Confident | 31 Ų | 31 | 88.4 Ų | 88.4 | 15% | 0.145 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -76.8 | -33.6 | -176.8 | -67.5 | 166.6 | -67.2 | 0 | 0 | 112.4 | Q274 Q275 D281 Y282 E360 | Q274-Q278 WeakPolarHBondContact O-CB 3.23Å; Q274-Q278 WeakPolarHBondContact O-CG 3.41Å; Q274-Q278 PolarHBondContact O-N 3.43Å; Q274-Q278 PolarHBondContact O-OE1 2.9Å; Q274-Q278 VanDerWaalsContact O-OE1 3.12Å; Q275-Q278 PolarHBondContact O-N 3.48Å; Q278-D281 CarbonylContact O-C 3.56Å; Q278-D281 PolarHBondContact O-N 3.29Å; Q278-Y282 PolarHBondContact O-N 3.12Å; Q278-E360 HydrophobicContact CB-CB 4.38Å; Q278-E360 VanDerWaalsContact CB-CD 3.42Å; Q278-E360 HydrophobicContact CB-CG 3.56Å; Q278-E360 WeakPolarHBondContact CB-OE1 3.15Å; Q278-E360 HydrophobicContact CG-CG 4.27Å; Q278-E360 PolarHBondContact NE2-O 2.62Å |
| 279 | L | 77 | Confident | 76.6 | Confident | 60 Ų | 60 | 90.2 Ų | 90.2 | 31% | 0.314 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 168.1 | 177.7 | 70.4 | 0 | 0 | 0 | 111.3 | Q275 D281 Y282 Y283 P356 E360 | Q275-L279 WeakPolarHBondContact O-CB 3.46Å; Q275-L279 PolarHBondContact O-N 3.36Å; L279-D281 VanDerWaalsContact C-N 3.34Å; L279-Y282 WeakPolarHBondContact O-CB 3.34Å; L279-Y282 PolarHBondContact O-N 2.93Å; L279-Y283 HydrophobicContact CD1-CD2 4.21Å; L279-Y283 HydrophobicContact CD1-CE2 3.7Å; L279-Y283 HydrophobicContact CD2-CE2 4.34Å; L279-Y283 HydrophobicContact CG-CD2 4.09Å; L279-Y283 HydrophobicContact CG-CE2 3.81Å; L279-Y283 VanDerWaalsContact O-CD2 3.25Å; L279-Y283 WeakPolarHBondContact O-CD2 3.26Å; L279-Y283 PolarHBondContact O-N 3.41Å; L279-P356 HydrophobicContact CD1-CG 3.84Å; L279-E360 PolarHBondContact N-OE1 3.39Å |
| 280 | R | 74.2 | Confident | 77 | Confident | 99 Ų | 99 | 92.5 Ų | 92.5 | 37% | 0.374 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 170.5 | 178 | -156.8 | 61.5 | -131.6 | -9.3 | 110.5 | F276 N277 Y282 Y283 E284 | F276-R280 WeakPolarHBondContact O-CB 3.33Å; F276-R280 PolarHBondContact O-N 3.32Å; F276-R280 VanDerWaalsContact O-N 3.09Å; N277-R280 WeakPolarHBondContact O-CB 3.49Å; N277-R280 PolarHBondContact O-N 2.93Å; N277-R280 PolarHBondContact O-NH2 3.36Å; N277-R280 VanDerWaalsContact OD1-CZ 3.26Å; N277-R280 PolarHBondContact OD1-NH1 3.48Å; N277-R280 PolarHBondContact OD1-NH2 2.93Å; R280-Y282 VanDerWaalsContact C-N 3.28Å; R280-Y282 PolarHBondContact O-N 3.49Å; R280-Y283 PolarHBondContact O-N 2.88Å; R280-E284 PolarHBondContact O-N 3.32Å |
| 281 | D | 74.7 | Confident | 77.4 | Confident | 74 Ų | 74 | 94.2 Ų | 94.2 | 40% | 0.396 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.5 | -28.9 | -178.3 | -64.6 | -3.1 | 0 | 0 | 0 | 111.6 | N277 Q278 L279 S285 | N277-D281 WeakPolarHBondContact O-CB 3.15Å; N277-D281 PolarHBondContact O-N 3.24Å; N277-D281 VanDerWaalsContact O-OD1 3.11Å; Q278-D281 CarbonylContact O-C 3.56Å; Q278-D281 PolarHBondContact O-N 3.29Å; L279-D281 VanDerWaalsContact C-N 3.34Å; D281-S285 WeakPolarHBondContact O-CB 3.49Å; D281-S285 PolarHBondContact O-N 2.69Å; D281-S285 PolarHBondContact O-OG 2.98Å |
| 282 | Y | 77.7 | Confident | 77.7 | Confident | 68 Ų | 68 | 91.1 Ų | 91.1 | 27% | 0.267 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.8 | -56.3 | 166.7 | 175.3 | -86.5 | 0 | 0 | 0 | 110.1 | Q278 L279 R280 E284 S285 E286 | Q278-Y282 PolarHBondContact O-N 3.12Å; L279-Y282 WeakPolarHBondContact O-CB 3.34Å; L279-Y282 PolarHBondContact O-N 2.93Å; R280-Y282 VanDerWaalsContact C-N 3.28Å; R280-Y282 PolarHBondContact O-N 3.49Å; Y282-E284 VanDerWaalsContact C-N 3.29Å; Y282-E284 PolarHBondContact O-N 2.7Å; Y282-S285 WeakPolarHBondContact CA-OG 3.46Å; Y282-S285 CarbonylContact O-C 3.6Å; Y282-S285 WeakPolarHBondContact O-CA 3.31Å; Y282-S285 PolarHBondContact O-N 2.92Å; Y282-S285 PolarHBondContact O-OG 2.97Å; Y282-E286 HydrophobicContact CE1-CB 4.1Å; Y282-E286 HydrophobicContact CE1-CG 4.4Å; Y282-E286 WeakPolarHBondContact CE1-OE1 3.27Å; Y282-E286 WeakPolarHBondContact O-CB 3.41Å; Y282-E286 PolarHBondContact O-N 2.96Å; Y282-E286 PolarHBondContact OH-OE1 3.06Å |
| 283 | Y | 79.1 | Confident | 77.8 | Confident | 110 Ų | 110 | 88.6 Ų | 88.6 | 43% | 0.431 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.4 | -33.2 | 178.8 | -75.9 | -58.5 | 0 | 0 | 0 | 113.2 | L279 R280 S287 E353 | L279-Y283 HydrophobicContact CD1-CD2 4.21Å; L279-Y283 HydrophobicContact CD1-CE2 3.7Å; L279-Y283 HydrophobicContact CD2-CE2 4.34Å; L279-Y283 HydrophobicContact CG-CD2 4.09Å; L279-Y283 HydrophobicContact CG-CE2 3.81Å; L279-Y283 VanDerWaalsContact O-CD2 3.25Å; L279-Y283 WeakPolarHBondContact O-CD2 3.26Å; L279-Y283 PolarHBondContact O-N 3.41Å; R280-Y283 PolarHBondContact O-N 2.88Å; Y283-S287 WeakPolarHBondContact O-CB 3.39Å; Y283-S287 PolarHBondContact O-N 3.39Å; Y283-E353 PolarHBondContact OH-OE1 2.86Å |
| 284 | E | 79 | Confident | 78.2 | Confident | 122 Ų | 122 | 87.8 Ų | 87.8 | 57% | 0.57 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -68 | -38.3 | 171.6 | -73.2 | -163.5 | 175.9 | 0 | 0 | 111.8 | R280 Y282 I288 | R280-E284 PolarHBondContact O-N 3.32Å; Y282-E284 VanDerWaalsContact C-N 3.29Å; Y282-E284 PolarHBondContact O-N 2.7Å; E284-I288 WeakPolarHBondContact O-CD1 3.45Å; E284-I288 VanDerWaalsContact O-CG1 3.27Å; E284-I288 WeakPolarHBondContact O-CG1 3.36Å; E284-I288 PolarHBondContact O-N 3.37Å |
| 285 | S | 75.9 | Confident | 78.8 | Confident | 54 Ų | 54 | 89.8 Ų | 89.8 | 38% | 0.378 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.6 | -46.1 | 175.4 | 68.4 | 0 | 0 | 0 | 0 | 113.4 | D281 Y282 S287 I288 E289 | D281-S285 WeakPolarHBondContact O-CB 3.49Å; D281-S285 PolarHBondContact O-N 2.69Å; D281-S285 PolarHBondContact O-OG 2.98Å; Y282-S285 WeakPolarHBondContact CA-OG 3.46Å; Y282-S285 CarbonylContact O-C 3.6Å; Y282-S285 WeakPolarHBondContact O-CA 3.31Å; Y282-S285 PolarHBondContact O-N 2.92Å; Y282-S285 PolarHBondContact O-OG 2.97Å; S285-S287 VanDerWaalsContact C-N 3.3Å; S285-S287 PolarHBondContact O-N 3.06Å; S285-I288 CarbonylContact O-C 3.59Å; S285-I288 WeakPolarHBondContact O-CA 3.42Å; S285-I288 WeakPolarHBondContact O-CB 3.44Å; S285-I288 PolarHBondContact O-N 3.2Å; S285-E289 PolarHBondContact O-N 3.42Å |
| 286 | E | 80.3 | Confident | 79.1 | Confident | 68 Ų | 68 | 92.7 Ų | 92.7 | 32% | 0.318 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 174.8 | -176.7 | 179.2 | -111.7 | 0 | 0 | 110.7 | Y282 I288 E289 L290 | Y282-E286 HydrophobicContact CE1-CB 4.1Å; Y282-E286 HydrophobicContact CE1-CG 4.4Å; Y282-E286 WeakPolarHBondContact CE1-OE1 3.27Å; Y282-E286 WeakPolarHBondContact O-CB 3.41Å; Y282-E286 PolarHBondContact O-N 2.96Å; Y282-E286 PolarHBondContact OH-OE1 3.06Å; E286-I288 VanDerWaalsContact C-N 3.27Å; E286-I288 PolarHBondContact O-N 2.93Å; E286-E289 PolarHBondContact O-N 2.86Å; E286-L290 HydrophobicContact CG-CD1 4.1Å; E286-L290 WeakPolarHBondContact O-CB 3.32Å; E286-L290 PolarHBondContact O-N 3.47Å |
| 287 | S | 78.3 | Confident | 79.7 | Confident | 56 Ų | 56 | 91.5 Ų | 91.5 | 39% | 0.392 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67 | -24.6 | 172 | -163.8 | 0 | 0 | 0 | 0 | 113 | Y283 S285 K291 | Y283-S287 WeakPolarHBondContact O-CB 3.39Å; Y283-S287 PolarHBondContact O-N 3.39Å; S285-S287 VanDerWaalsContact C-N 3.3Å; S285-S287 PolarHBondContact O-N 3.06Å; S287-K291 VanDerWaalsContact O-CG 3.31Å; S287-K291 WeakPolarHBondContact O-CG 3.06Å; S287-K291 PolarHBondContact O-NZ 3.15Å; S287-K291 PolarHBondContact OG-NZ 3.12Å |
| 288 | I | 83.4 | Confident | 80.2 | Confident | 94 Ų | 94 | 93 Ų | 93 | 48% | 0.482 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -76.8 | -47.5 | 171 | -71.7 | 161.9 | 0 | 0 | 0 | 109.7 | E284 S285 E286 L290 K291 D292 | E284-I288 WeakPolarHBondContact O-CD1 3.45Å; E284-I288 VanDerWaalsContact O-CG1 3.27Å; E284-I288 WeakPolarHBondContact O-CG1 3.36Å; E284-I288 PolarHBondContact O-N 3.37Å; S285-I288 CarbonylContact O-C 3.59Å; S285-I288 WeakPolarHBondContact O-CA 3.42Å; S285-I288 WeakPolarHBondContact O-CB 3.44Å; S285-I288 PolarHBondContact O-N 3.2Å; E286-I288 VanDerWaalsContact C-N 3.27Å; E286-I288 PolarHBondContact O-N 2.93Å; I288-L290 VanDerWaalsContact C-N 3.35Å; I288-L290 PolarHBondContact O-N 3.47Å; I288-K291 WeakPolarHBondContact O-CA 3.44Å; I288-K291 WeakPolarHBondContact O-CB 3.42Å; I288-K291 PolarHBondContact O-N 3.27Å; I288-D292 PolarHBondContact O-N 3.38Å |
| 289 | E | 81.4 | Confident | 80.8 | Confident | 136 Ų | 136 | 96.4 Ų | 96.4 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.4 | -38.9 | 179.4 | -67.5 | -171.4 | -179.3 | 0 | 0 | 112.3 | S285 E286 K291 D292 T293 | S285-E289 PolarHBondContact O-N 3.42Å; E286-E289 PolarHBondContact O-N 2.86Å; E289-K291 VanDerWaalsContact C-N 3.26Å; E289-K291 PolarHBondContact O-N 2.88Å; E289-D292 PolarHBondContact O-N 3.07Å; E289-T293 WeakPolarHBondContact O-CG2 3.43Å; E289-T293 PolarHBondContact O-N 3.48Å; E289-T293 PolarHBondContact O-OG1 2.85Å; E289-T293 VanDerWaalsContact O-OG1 3.13Å |
| 290 | L | 83.6 | Confident | 81.1 | Confident | 114 Ų | 114 | 98 Ų | 98 | 60% | 0.597 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.2 | -22.4 | 171 | -96.1 | 146.9 | 0 | 0 | 0 | 114.4 | E286 I288 T293 H294 | E286-L290 HydrophobicContact CG-CD1 4.1Å; E286-L290 WeakPolarHBondContact O-CB 3.32Å; E286-L290 PolarHBondContact O-N 3.47Å; I288-L290 VanDerWaalsContact C-N 3.35Å; I288-L290 PolarHBondContact O-N 3.47Å; L290-T293 WeakPolarHBondContact CA-OG1 3.15Å; L290-T293 PolarHBondContact O-OG1 3.05Å; L290-H294 VanDerWaalsContact O-CB 3.25Å; L290-H294 WeakPolarHBondContact O-CB 3.48Å; L290-H294 PolarHBondContact O-N 3.45Å |
| 291 | K | 84 | Confident | 81.5 | Confident | 111 Ų | 111 | 98.7 Ų | 98.7 | 48% | 0.483 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -81.5 | -41 | 170.5 | -72.3 | 178.8 | -159.1 | 77.9 | 0 | 110.8 | S287 I288 E289 H294 E295 | S287-K291 VanDerWaalsContact O-CG 3.31Å; S287-K291 WeakPolarHBondContact O-CG 3.06Å; S287-K291 PolarHBondContact O-NZ 3.15Å; S287-K291 PolarHBondContact OG-NZ 3.12Å; I288-K291 WeakPolarHBondContact O-CA 3.44Å; I288-K291 WeakPolarHBondContact O-CB 3.42Å; I288-K291 PolarHBondContact O-N 3.27Å; E289-K291 VanDerWaalsContact C-N 3.26Å; E289-K291 PolarHBondContact O-N 2.88Å; K291-H294 PolarHBondContact O-N 3.21Å; K291-E295 WeakPolarHBondContact O-CB 3.39Å; K291-E295 PolarHBondContact O-N 3Å |
| 292 | D | 82.8 | Confident | 82 | Confident | 107 Ų | 107 | 102.5 Ų | 102.5 | 57% | 0.572 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.4 | -36.7 | 178.8 | -79.3 | 15.4 | 0 | 0 | 0 | 111.8 | I288 E289 F296 | I288-D292 PolarHBondContact O-N 3.38Å; E289-D292 PolarHBondContact O-N 3.07Å; D292-F296 WeakPolarHBondContact O-CB 3.37Å; D292-F296 PolarHBondContact O-N 3.3Å |
| 293 | T | 81.1 | Confident | 82 | Confident | 73 Ų | 73 | 102 Ų | 102 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.6 | -43.8 | 172 | 55.3 | 0 | 0 | 0 | 0 | 112.1 | E289 L290 E295 F296 E297 | E289-T293 WeakPolarHBondContact O-CG2 3.43Å; E289-T293 PolarHBondContact O-N 3.48Å; E289-T293 PolarHBondContact O-OG1 2.85Å; E289-T293 VanDerWaalsContact O-OG1 3.13Å; L290-T293 WeakPolarHBondContact CA-OG1 3.15Å; L290-T293 PolarHBondContact O-OG1 3.05Å; T293-E295 PolarHBondContact O-N 3.37Å; T293-F296 CarbonylContact O-C 3.54Å; T293-F296 WeakPolarHBondContact O-CA 3.3Å; T293-F296 WeakPolarHBondContact O-CB 3.41Å; T293-F296 PolarHBondContact O-N 3.32Å; T293-F296 VanDerWaalsContact O-N 3.09Å; T293-E297 PolarHBondContact O-N 2.99Å |
| 294 | H | 84 | Confident | 82 | Confident | 106 Ų | 106 | 102.2 Ų | 102.2 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.7 | -34.7 | 175.8 | 178.7 | -99 | 0 | 0 | 0 | 112.5 | L290 K291 L298 | L290-H294 VanDerWaalsContact O-CB 3.25Å; L290-H294 WeakPolarHBondContact O-CB 3.48Å; L290-H294 PolarHBondContact O-N 3.45Å; K291-H294 PolarHBondContact O-N 3.21Å; H294-L298 VanDerWaalsContact CE1-CD1 3.45Å; H294-L298 WeakPolarHBondContact CE1-CD1 3.46Å; H294-L298 WeakPolarHBondContact O-CB 3.44Å; H294-L298 VanDerWaalsContact O-CG 3.29Å; H294-L298 WeakPolarHBondContact O-CG 3.43Å; H294-L298 PolarHBondContact O-N 3.47Å |
| 295 | E | 84.2 | Confident | 82 | Confident | 140 Ų | 140 | 99.1 Ų | 99.1 | 65% | 0.654 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.2 | -33.2 | 169.3 | -77.2 | -160.1 | -172 | 0 | 0 | 112.5 | K291 T293 H299 | K291-E295 WeakPolarHBondContact O-CB 3.39Å; K291-E295 PolarHBondContact O-N 3Å; T293-E295 PolarHBondContact O-N 3.37Å; E295-H299 WeakPolarHBondContact O-CB 3.29Å; E295-H299 PolarHBondContact O-N 3.05Å |
| 296 | F | 83.2 | Confident | 82 | Confident | 135 Ų | 135 | 102.9 Ų | 102.9 | 59% | 0.592 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.5 | -48.2 | 172.4 | -178.3 | -87.3 | 0 | 0 | 0 | 111.9 | D292 T293 L298 H299 E300 | D292-F296 WeakPolarHBondContact O-CB 3.37Å; D292-F296 PolarHBondContact O-N 3.3Å; T293-F296 CarbonylContact O-C 3.54Å; T293-F296 WeakPolarHBondContact O-CA 3.3Å; T293-F296 WeakPolarHBondContact O-CB 3.41Å; T293-F296 PolarHBondContact O-N 3.32Å; T293-F296 VanDerWaalsContact O-N 3.09Å; F296-L298 PolarHBondContact O-N 3.19Å; F296-H299 CarbonylContact O-C 3.57Å; F296-H299 WeakPolarHBondContact O-CA 3.46Å; F296-H299 WeakPolarHBondContact O-CB 3.37Å; F296-H299 PolarHBondContact O-N 2.99Å; F296-E300 PolarHBondContact O-N 3.48Å |
| 297 | E | 85.9 | Confident | 81.3 | Confident | 115 Ų | 115 | 106.7 Ų | 106.7 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60 | -44.7 | 175.3 | -72.1 | -179.1 | 178.5 | 0 | 0 | 111.7 | T293 H299 E300 L301 | T293-E297 PolarHBondContact O-N 2.99Å; E297-H299 PolarHBondContact O-N 3.48Å; E297-E300 PolarHBondContact O-N 3.47Å; E297-L301 WeakPolarHBondContact O-CB 3.41Å; E297-L301 WeakPolarHBondContact O-CG 3.37Å; E297-L301 PolarHBondContact O-N 3.41Å |
| 298 | L | 84.5 | Confident | 80.7 | Confident | 79 Ų | 79 | 108.6 Ų | 108.6 | 41% | 0.414 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.1 | -26.3 | 174.4 | -75.2 | 177 | 0 | 0 | 0 | 113.2 | H294 F296 R302 | H294-L298 VanDerWaalsContact CE1-CD1 3.45Å; H294-L298 WeakPolarHBondContact CE1-CD1 3.46Å; H294-L298 WeakPolarHBondContact O-CB 3.44Å; H294-L298 VanDerWaalsContact O-CG 3.29Å; H294-L298 WeakPolarHBondContact O-CG 3.43Å; H294-L298 PolarHBondContact O-N 3.47Å; F296-L298 PolarHBondContact O-N 3.19Å; L298-R302 WeakPolarHBondContact O-CB 3.41Å; L298-R302 PolarHBondContact O-N 3.19Å |
| 299 | H | 83.1 | Confident | 79.6 | Confident | 103 Ų | 103 | 110.8 Ų | 110.8 | 48% | 0.477 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -75.6 | -43.1 | 171.2 | -172.2 | -53.4 | 0 | 0 | 0 | 111.2 | E295 F296 E297 R302 T303 | E295-H299 WeakPolarHBondContact O-CB 3.29Å; E295-H299 PolarHBondContact O-N 3.05Å; F296-H299 CarbonylContact O-C 3.57Å; F296-H299 WeakPolarHBondContact O-CA 3.46Å; F296-H299 WeakPolarHBondContact O-CB 3.37Å; F296-H299 PolarHBondContact O-N 2.99Å; E297-H299 PolarHBondContact O-N 3.48Å; H299-R302 WeakPolarHBondContact O-CB 3.46Å; H299-R302 PolarHBondContact O-N 2.89Å; H299-T303 PolarHBondContact O-N 3.12Å; H299-T303 PolarHBondContact O-OG1 3.45Å |
| 300 | E | 81.9 | Confident | 78.5 | Confident | 93 Ų | 93 | 113 Ų | 113 | 44% | 0.435 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.9 | -46.5 | 178.7 | -176.7 | 160.4 | -159.7 | 0 | 0 | 111.3 | F296 E297 R302 T303 M304 | F296-E300 PolarHBondContact O-N 3.48Å; E297-E300 PolarHBondContact O-N 3.47Å; E300-R302 PolarHBondContact O-N 3.34Å; E300-T303 WeakPolarHBondContact CA-OG1 3.3Å; E300-T303 PolarHBondContact O-N 3.36Å; E300-T303 VanDerWaalsContact O-N 3.12Å; E300-T303 PolarHBondContact O-OG1 2.92Å; E300-M304 HydrophobicContact CG-CE 4.34Å; E300-M304 WeakPolarHBondContact O-CG 3.25Å; E300-M304 PolarHBondContact O-N 3.36Å |
| 301 | L | 82.8 | Confident | 76.9 | Confident | 115 Ų | 115 | 113.2 Ų | 113.2 | 60% | 0.602 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -58.1 | -35.3 | 172.7 | -71.5 | 172.1 | 0 | 0 | 0 | 112.5 | E297 A305 | E297-L301 WeakPolarHBondContact O-CB 3.41Å; E297-L301 WeakPolarHBondContact O-CG 3.37Å; E297-L301 PolarHBondContact O-N 3.41Å; L301-A305 WeakPolarHBondContact O-CB 3.36Å; L301-A305 PolarHBondContact O-N 3.46Å; L301-A305 VanDerWaalsContact O-N 3.11Å |
| 302 | R | 84.9 | Confident | 75.3 | Confident | 153 Ų | 153 | 115.5 Ų | 115.5 | 58% | 0.577 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.5 | -42.7 | 174.9 | -169 | 175.4 | -57.5 | 157.1 | 10.5 | 111.9 | L298 H299 E300 A305 E306 | L298-R302 WeakPolarHBondContact O-CB 3.41Å; L298-R302 PolarHBondContact O-N 3.19Å; H299-R302 WeakPolarHBondContact O-CB 3.46Å; H299-R302 PolarHBondContact O-N 2.89Å; E300-R302 PolarHBondContact O-N 3.34Å; R302-A305 PolarHBondContact O-N 2.93Å; R302-E306 PolarHBondContact O-N 3.36Å; R302-E306 VanDerWaalsContact O-N 3.09Å |
| 303 | T | 79.5 | Confident | 73.7 | Confident | 58 Ų | 58 | 113.5 Ų | 113.5 | 36% | 0.356 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.8 | -39.8 | 175.5 | 39.7 | 0 | 0 | 0 | 0 | 112.6 | H299 E300 A305 E306 D307 | H299-T303 PolarHBondContact O-N 3.12Å; H299-T303 PolarHBondContact O-OG1 3.45Å; E300-T303 WeakPolarHBondContact CA-OG1 3.3Å; E300-T303 PolarHBondContact O-N 3.36Å; E300-T303 VanDerWaalsContact O-N 3.12Å; E300-T303 PolarHBondContact O-OG1 2.92Å; T303-A305 VanDerWaalsContact C-N 3.28Å; T303-A305 PolarHBondContact O-N 3Å; T303-E306 PolarHBondContact O-N 2.86Å; T303-D307 PolarHBondContact O-N 3.26Å; T303-D307 VanDerWaalsContact O-N 3.14Å |
| 304 | M | 77.7 | Confident | 72 | Confident | 114 Ų | 114 | 116.1 Ų | 116.1 | 56% | 0.562 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -60.9 | -36 | 173.8 | -67 | -75.3 | 179.4 | 0 | 0 | 112.3 | E300 S308 | E300-M304 HydrophobicContact CG-CE 4.34Å; E300-M304 WeakPolarHBondContact O-CG 3.25Å; E300-M304 PolarHBondContact O-N 3.36Å; M304-S308 PolarHBondContact O-OG 3.44Å |
| 305 | A | 78.9 | Confident | 70.2 | Confident | 57 Ų | 57 | 117.5 Ų | 117.5 | 47% | 0.471 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -74.1 | -30.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L301 R302 T303 | L301-A305 WeakPolarHBondContact O-CB 3.36Å; L301-A305 PolarHBondContact O-N 3.46Å; L301-A305 VanDerWaalsContact O-N 3.11Å; R302-A305 PolarHBondContact O-N 2.93Å; T303-A305 VanDerWaalsContact C-N 3.28Å; T303-A305 PolarHBondContact O-N 3Å |
| 306 | E | 76.9 | Confident | 68.3 | Low | 134 Ų | 134 | 115.3 Ų | 115.3 | 63% | 0.626 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -76.2 | -45.3 | 178.7 | -73.9 | 177.5 | -164.5 | 0 | 0 | 111.8 | R302 T303 S308 N309 | R302-E306 PolarHBondContact O-N 3.36Å; R302-E306 VanDerWaalsContact O-N 3.09Å; T303-E306 PolarHBondContact O-N 2.86Å; E306-S308 PolarHBondContact O-N 3.48Å; E306-S308 VanDerWaalsContact O-N 3.1Å; E306-N309 PolarHBondContact O-N 2.81Å |
| 307 | D | 66 | Low | 66.4 | Low | 148 Ų | 148 | 114.3 Ų | 114.3 | 79% | 0.791 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -64.5 | -15 | 177.7 | -81.9 | -14.8 | 0 | 0 | 0 | 113.6 | T303 N309 | T303-D307 PolarHBondContact O-N 3.26Å; T303-D307 VanDerWaalsContact O-N 3.14Å; D307-N309 PolarHBondContact O-N 2.86Å |
| 308 | S | 64.6 | Low | 64.4 | Low | 96 Ų | 96 | 114 Ų | 114 | 67% | 0.671 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -10.4 | -177.9 | -68.1 | 0 | 0 | 0 | 0 | 115.4 | M304 E306 | M304-S308 PolarHBondContact O-OG 3.44Å; E306-S308 PolarHBondContact O-N 3.48Å; E306-S308 VanDerWaalsContact O-N 3.1Å |
| 309 | N | 61.3 | Low | 62.2 | Low | 140 Ų | 140 | 113.8 Ų | 113.8 | 75% | 0.749 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -111.4 | -11.8 | -167.3 | -86 | -65.3 | 0 | 0 | 0 | 117.2 | E306 D307 | E306-N309 PolarHBondContact O-N 2.81Å; D307-N309 PolarHBondContact O-N 2.86Å |
| 310 | E | 57.4 | Low | 60.3 | Low | 181 Ų | 181 | 113.3 Ų | 113.3 | 85% | 0.846 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -117.3 | 92.2 | -179 | -71.4 | -157.1 | 132.6 | 0 | 0 | 113.6 | ||
| 311 | S | 50.9 | Low | 58.6 | Low | 119 Ų | 119 | 118.3 Ų | 118.3 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | trans | 162.1 | 63.1 | 138.3 | 51.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 312 | T | 49.9 | Very low | 57.1 | Low | 159 Ų | 159 | 118 Ų | 118 | 98% | 0.975 | 72% | 0.723 | S | S | * | * | trans | -120.2 | 80.8 | 164.7 | 40.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 313 | G | 49.5 | Very low | 55.1 | Low | 66 Ų | 66 | 116.5 Ų | 116.5 | 68% | 0.68 | 74% | 0.736 | S | S | * | * | trans | -172.9 | 145.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 314 | T | 45.8 | Very low | 53.2 | Low | 128 Ų | 128 | 117.2 Ų | 117.2 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | cis | -154.9 | 153.4 | 17 | 44.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 315 | T | 45.8 | Very low | 51.6 | Low | 134 Ų | 134 | 119.8 Ų | 119.8 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 41.4 | 128.5 | 148.6 | 55.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 316 | A | 44.5 | Very low | 49.8 | Very low | 95 Ų | 95 | 122.4 Ų | 122.4 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | cis | -159.1 | -153 | 7.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 317 | S | 43 | Very low | 48.3 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | cis | -164.2 | -159.1 | 14.1 | -155.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 318 | S | 43.4 | Very low | 47.2 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -52.9 | 140.1 | 177.6 | 51.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 319 | G | 39.4 | Very low | 45.7 | Very low | 74 Ų | 74 | 135.4 Ų | 135.4 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | cis | 101.1 | 151.6 | 3.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 320 | A | 42.7 | Very low | 44.7 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | cis | -176 | -175.2 | -4.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 321 | K | 45.4 | Very low | 43.8 | Very low | 198 Ų | 198 | 129.5 Ų | 129.5 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | 83.7 | 161.4 | 160 | -65.2 | -178.9 | 176.8 | 178 | 0 | 119.8 | ||||
| 322 | P | 50.9 | Low | 43.1 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | cis | -148.7 | 178.2 | -43.3 | 43.2 | -26.2 | 0 | 0 | 0 | 117.7 | ||||
| 323 | S | 43.2 | Very low | 42.6 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | 97.1 | 141.3 | 135.6 | 77.6 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 324 | G | 39.5 | Very low | 42 | Very low | 73 Ų | 73 | 135.8 Ų | 135.8 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | 97.3 | 143.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 325 | I | 44.4 | Very low | 41.6 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 86% | 0.862 | 80% | 0.8 | S | S | * | * | cis | -147.2 | 152.3 | -5 | -87.5 | 174.8 | 0 | 0 | 0 | 107.7 | ||||
| 326 | P | 41.6 | Very low | 41.1 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -113.5 | 167.7 | -155 | 41 | -34.2 | 0 | 0 | 0 | 117.4 | ||||
| 327 | K | 44.9 | Very low | 40.8 | Very low | 198 Ų | 198 | 143 Ų | 143 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -161.1 | 136.7 | 154 | -110.8 | 154.8 | -171.7 | 173.7 | 0 | 115.9 | ||||
| 328 | R | 42.2 | Very low | 40.5 | Very low | 244 Ų | 244 | 146.5 Ų | 146.5 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | 60.6 | 106.3 | 156.8 | -67.5 | -175.9 | 172.5 | 176.1 | -3.4 | 120.9 | ||||
| 329 | K | 34.8 | Very low | 40.3 | Very low | 209 Ų | 209 | 145 Ų | 145 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -85.1 | 147.4 | 148.9 | -63.1 | 177.4 | 174 | -175.8 | 0 | 110.5 | ||||
| 330 | A | 39.7 | Very low | 40.3 | Very low | 103 Ų | 103 | 147.8 Ų | 147.8 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | 167.5 | 147.7 | 145.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 331 | A | 38 | Very low | 40.4 | Very low | 93 Ų | 93 | 149.9 Ų | 149.9 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | cis | -160.7 | 168.4 | -21.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 332 | N | 35.8 | Very low | 40.5 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -72.3 | 135.6 | 175.1 | -64.7 | 7.9 | 0 | 0 | 0 | 111.3 | ||||
| 333 | L | 40.1 | Very low | 40.1 | Very low | 163 Ų | 163 | 146.6 Ų | 146.6 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -145 | 129.5 | 152.6 | -128.5 | 69.4 | 0 | 0 | 0 | 104.3 | ||||
| 334 | F | 37.9 | Very low | 40 | Very low | 161 Ų | 161 | 152.4 Ų | 152.4 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | 53 | 126.1 | 54.2 | -76.8 | -101.3 | 0 | 0 | 0 | 112.4 | |||||
| 335 | D | 35.9 | Very low | 40.4 | Very low | 124 Ų | 124 | 158 Ų | 158 | 66% | 0.663 | 81% | 0.813 | S | S | * | * | cis | -162.2 | -165.3 | -18.2 | -112.7 | 1.4 | 0 | 0 | 0 | 106 | ||||
| 336 | D | 35.9 | Very low | 40.1 | Very low | 148 Ų | 148 | 157.4 Ų | 157.4 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | 55.1 | 91.8 | 164 | -65.1 | -22.3 | 0 | 0 | 0 | 118.9 | ||||
| 337 | W | 37.5 | Very low | 40.1 | Very low | 237 Ų | 237 | 158.1 Ų | 158.1 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | -148.4 | 64.7 | 129.7 | -155.2 | -83.1 | 0 | 0 | 0 | 112.1 | A339 | W337-A339 PolarHBondContact NE1-O 2.73Š| |||
| 338 | E | 38 | Very low | 39.9 | Very low | 185 Ų | 185 | 154.4 Ų | 154.4 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -72.2 | 164.1 | 152.1 | -73.8 | -163.1 | 143.7 | 0 | 0 | 110.3 | ||||
| 339 | A | 39 | Very low | 39.8 | Very low | 78 Ų | 78 | 148 Ų | 148 | 65% | 0.645 | 80% | 0.801 | S | S | * | * | trans | 81.4 | 139.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | W337 | W337-A339 PolarHBondContact NE1-O 2.73Š| ||
| 340 | T | 39.2 | Very low | 39.8 | Very low | 133 Ų | 133 | 146 Ų | 146 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | 80.6 | 56.2 | 162.7 | -23.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 341 | T | 43.8 | Very low | 40.1 | Very low | 137 Ų | 137 | 147.6 Ų | 147.6 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | -107.8 | 131.6 | 145.6 | 43.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 342 | P | 47.8 | Very low | 40.4 | Very low | 113 Ų | 113 | 150.8 Ų | 150.8 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 160.5 | -176.5 | 31.7 | -36.2 | 0 | 0 | 0 | 112.5 | R344 | P342-R344 PolarHBondContact O-N 2.98Š|
| 343 | P | 43 | Very low | 40.9 | Very low | 123 Ų | 123 | 151.1 Ų | 151.1 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 128.5 | -179.3 | 26.6 | -34.7 | 0 | 0 | 0 | 111.6 | K345 | P343-K345 PolarHBondContact O-N 3.25Š|
| 344 | R | 41.5 | Very low | 41.3 | Very low | 245 Ų | 245 | 148.4 Ų | 148.4 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 124.7 | 158.5 | -74.9 | -176.7 | 168.9 | -163.3 | -5.5 | 107.4 | P342 | P342-R344 PolarHBondContact O-N 2.98Š|
| 345 | K | 47.2 | Very low | 41.9 | Very low | 189 Ų | 189 | 148.4 Ų | 148.4 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -75 | 148.1 | 168.6 | -74.3 | -173 | 173 | -172.8 | 0 | 109.7 | P343 | P343-K345 PolarHBondContact O-N 3.25Š|
| 346 | D | 37.4 | Very low | 43 | Very low | 157 Ų | 157 | 144 Ų | 144 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 135 | 173.5 | -51.2 | -78.6 | 0 | 0 | 0 | 111.2 | ||
| 347 | V | 42 | Very low | 44.7 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | trans | -114.7 | 75.9 | 171 | 175.3 | 0 | 0 | 0 | 0 | 106.1 | V349 | V347-V349 HydrophobicContact CG1-CG2 3.81Å; V347-V349 PolarHBondContact O-N 2.96Å | ||
| 348 | S | 40.8 | Very low | 46.5 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 84% | 0.839 | 69% | 0.694 | S | S | * | * | trans | -73.8 | 90 | 176.9 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 349 | V | 40.6 | Very low | 48.4 | Very low | 111 Ų | 111 | 123.7 Ų | 123.7 | 67% | 0.673 | 67% | 0.668 | S | S | * | * | trans | -84.3 | 131.9 | 178.5 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | V347 T351 | V347-V349 HydrophobicContact CG1-CG2 3.81Å; V347-V349 PolarHBondContact O-N 2.96Å; V349-T351 PolarHBondContact O-N 3.29Å; V349-T351 VanDerWaalsContact O-N 3.08Å | ||
| 350 | M | 34.9 | Very low | 50.4 | Low | 167 Ų | 167 | 120.4 Ų | 120.4 | 82% | 0.823 | 64% | 0.639 | S | S | * | * | trans | -22 | 99.2 | 171.4 | -54.3 | -54.6 | -160.7 | 0 | 0 | 115.2 | ||||
| 351 | T | 46.4 | Very low | 52.4 | Low | 135 Ų | 135 | 117.3 Ų | 117.3 | 83% | 0.828 | 62% | 0.615 | S | S | * | * | trans | -94.2 | 100.9 | 146.4 | 38.4 | 0 | 0 | 0 | 0 | 105.9 | V349 E353 | V349-T351 PolarHBondContact O-N 3.29Å; V349-T351 VanDerWaalsContact O-N 3.08Å; T351-E353 PolarHBondContact O-N 2.85Å | ||
| 352 | E | 44.6 | Very low | 54.6 | Low | 160 Ų | 160 | 112.1 Ų | 112.1 | 75% | 0.748 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 127.7 | 175.9 | -69.3 | -178.3 | 133.3 | 0 | 0 | 109.3 | W354 | E352-W354 PolarHBondContact O-N 2.99Š|
| 353 | E | 45.8 | Very low | 56.5 | Low | 161 Ų | 161 | 111.9 Ų | 111.9 | 75% | 0.752 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 126.2 | 174 | -66.6 | -179.8 | 117.6 | 0 | 0 | 108.7 | Y283 T351 E355 | Y283-E353 PolarHBondContact OH-OE1 2.86Å; T351-E353 PolarHBondContact O-N 2.85Å; E353-E355 PolarHBondContact O-N 3.2Å |
| 354 | W | 47.5 | Very low | 58.7 | Low | 105 Ų | 105 | 107.1 Ų | 107.1 | 40% | 0.398 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 131.6 | 171.4 | -65.6 | 80.2 | 0 | 0 | 0 | 108.6 | E352 P356 I454 R457 | E352-W354 PolarHBondContact O-N 2.99Å; W354-P356 WeakPolarHBondContact O-CD 3.31Å; W354-P356 VanDerWaalsContact O-N 3.13Å; W354-I454 HydrophobicContact CZ3-CG1 4.43Å; W354-R457 VanDerWaalsContact CE2-CZ 3.4Å; W354-R457 VanDerWaalsContact CZ2-CD 3.4Å |
| 355 | E | 52.2 | Low | 60.9 | Low | 161 Ų | 161 | 97.2 Ų | 97.2 | 75% | 0.752 | 50% | 0.503 | S | S | * | . | trans | -64.9 | 110.2 | 162.5 | -71.3 | -163.6 | 146.2 | 0 | 0 | 108.5 | E353 S357 | E353-E355 PolarHBondContact O-N 3.2Å; E355-S357 PolarHBondContact O-N 2.92Å | ||
| 356 | P | 58.2 | Low | 63 | Low | 31 Ų | 31 | 93.7 Ų | 93.7 | 20% | 0.201 | 49% | 0.49 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -19.8 | -178.3 | -13.3 | 31.2 | 0 | 0 | 0 | 111 | L279 W354 L358 I359 E360 | L279-P356 HydrophobicContact CD1-CG 3.84Å; W354-P356 WeakPolarHBondContact O-CD 3.31Å; W354-P356 VanDerWaalsContact O-N 3.13Å; P356-L358 PolarHBondContact O-N 2.8Å; P356-I359 WeakPolarHBondContact O-CA 3.24Å; P356-I359 WeakPolarHBondContact O-CB 3.49Å; P356-I359 PolarHBondContact O-N 2.65Å; P356-E360 HydrophobicContact CB-CG 4.01Å; P356-E360 WeakPolarHBondContact CB-OE1 3.4Å; P356-E360 WeakPolarHBondContact O-CG 3.49Å; P356-E360 PolarHBondContact O-N 3.43Å |
| 357 | S | 71.3 | Confident | 65.6 | Low | 37 Ų | 37 | 89.4 Ų | 89.4 | 26% | 0.259 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -26.4 | -50.2 | 178 | -165.4 | 0 | 0 | 0 | 0 | 115.2 | E355 E360 E361 | E355-S357 PolarHBondContact O-N 2.92Å; S357-E360 PolarHBondContact O-N 3.12Å; S357-E361 VanDerWaalsContact O-CB 3.23Å; S357-E361 WeakPolarHBondContact O-CB 3.48Å; S357-E361 PolarHBondContact O-N 2.95Å |
| 358 | L | 75.5 | Confident | 67.9 | Low | 47 Ų | 47 | 86.4 Ų | 86.4 | 25% | 0.246 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -72.6 | -35.2 | -177.3 | -67.8 | 168.2 | 0 | 0 | 0 | 113.6 | P356 E360 L362 L446 L450 | P356-L358 PolarHBondContact O-N 2.8Å; L358-E360 VanDerWaalsContact C-N 3.32Å; L358-L362 WeakPolarHBondContact O-CB 3.25Å; L358-L362 PolarHBondContact O-N 2.96Å; L358-L362 VanDerWaalsContact O-N 3.1Å; L358-L446 HydrophobicContact CD2-CD2 3.78Å; L358-L450 HydrophobicContact CB-CD1 3.89Å |
| 359 | I | 78 | Confident | 70.3 | Confident | 61 Ų | 61 | 80.9 Ų | 80.9 | 31% | 0.313 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -71.5 | -34.2 | 171.8 | -56.3 | -177.5 | 0 | 0 | 0 | 109.9 | P356 K363 L450 | P356-I359 WeakPolarHBondContact O-CA 3.24Å; P356-I359 WeakPolarHBondContact O-CB 3.49Å; P356-I359 PolarHBondContact O-N 2.65Å; I359-K363 HydrophobicContact CG2-CD 4.26Å; I359-K363 WeakPolarHBondContact O-CB 3.42Å; I359-K363 VanDerWaalsContact O-CG 3.25Å; I359-K363 WeakPolarHBondContact O-CG 3.29Å; I359-K363 PolarHBondContact O-N 3.26Å; I359-L450 HydrophobicContact CD1-CD1 4.33Å; I359-L450 HydrophobicContact CD1-CD2 4.44Å; I359-L450 HydrophobicContact CG1-CD1 3.54Å; I359-L450 HydrophobicContact CG1-CD2 3.82Å; I359-L450 HydrophobicContact CG1-CG 4.32Å |
| 360 | E | 81.4 | Confident | 72.8 | Confident | 9 Ų | 9 | 78.7 Ų | 78.7 | 4% | 0.042 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -72.3 | -45.9 | -178.7 | -66.7 | -173.6 | 160.6 | 0 | 0 | 112.7 | Q275 Q278 L279 P356 S357 L358 K363 A364 | Q275-E360 WeakPolarHBondContact CA-OE2 3.4Å; Q275-E360 WeakPolarHBondContact CG-OE2 3.23Å; Q278-E360 HydrophobicContact CB-CB 4.38Å; Q278-E360 VanDerWaalsContact CB-CD 3.42Å; Q278-E360 HydrophobicContact CB-CG 3.56Å; Q278-E360 WeakPolarHBondContact CB-OE1 3.15Å; Q278-E360 HydrophobicContact CG-CG 4.27Å; Q278-E360 PolarHBondContact NE2-O 2.62Å; L279-E360 PolarHBondContact N-OE1 3.39Å; P356-E360 HydrophobicContact CB-CG 4.01Å; P356-E360 WeakPolarHBondContact CB-OE1 3.4Å; P356-E360 WeakPolarHBondContact O-CG 3.49Å; P356-E360 PolarHBondContact O-N 3.43Å; S357-E360 PolarHBondContact O-N 3.12Å; L358-E360 VanDerWaalsContact C-N 3.32Å; E360-K363 PolarHBondContact O-N 3.36Å; E360-A364 WeakPolarHBondContact O-CB 3.28Å; E360-A364 PolarHBondContact O-N 3.41Å |
| 361 | E | 81.1 | Confident | 75.6 | Confident | 68 Ų | 68 | 76.2 Ų | 76.2 | 32% | 0.318 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.5 | -37.4 | 174.8 | -164.5 | -177 | -172.9 | 0 | 0 | 110.6 | S357 A364 Y365 L446 | S357-E361 VanDerWaalsContact O-CB 3.23Å; S357-E361 WeakPolarHBondContact O-CB 3.48Å; S357-E361 PolarHBondContact O-N 2.95Å; E361-A364 PolarHBondContact O-N 3.09Å; E361-Y365 HydrophobicContact CG-CD1 4.35Å; E361-Y365 HydrophobicContact CG-CD2 4.29Å; E361-Y365 HydrophobicContact CG-CE1 3.88Å; E361-Y365 HydrophobicContact CG-CE2 3.79Å; E361-Y365 WeakPolarHBondContact O-CB 3.47Å; E361-Y365 VanDerWaalsContact O-CG 3.28Å; E361-Y365 PolarHBondContact O-N 3.04Å; E361-Y365 PolarHBondContact OE1-OH 3.17Å; E361-L446 HydrophobicContact CB-CD1 3.68Å; E361-L446 HydrophobicContact CG-CD1 3.62Å |
| 362 | L | 88.9 | Confident | 77.9 | Confident | 27 Ų | 27 | 70 Ų | 70 | 14% | 0.141 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60 | -47.4 | 170.1 | 175 | 59.9 | 0 | 0 | 0 | 111.9 | L358 A364 H366 S443 L446 E447 L450 | L358-L362 WeakPolarHBondContact O-CB 3.25Å; L358-L362 PolarHBondContact O-N 2.96Å; L358-L362 VanDerWaalsContact O-N 3.1Å; L362-A364 VanDerWaalsContact C-N 3.34Å; L362-H366 VanDerWaalsContact O-CB 3.29Å; L362-H366 WeakPolarHBondContact O-CB 3.36Å; L362-H366 PolarHBondContact O-N 2.81Å; L362-S443 WeakPolarHBondContact CD1-O 3.25Å; L362-S443 WeakPolarHBondContact CD1-OG 3.42Å; L362-L446 HydrophobicContact CB-CB 4.2Å; L362-L446 HydrophobicContact CB-CD1 4.32Å; L362-L446 HydrophobicContact CD1-CB 4.23Å; L362-E447 HydrophobicContact CD1-CB 4.04Å; L362-E447 HydrophobicContact CD2-CB 4.31Å; L362-E447 HydrophobicContact CD2-CG 4.29Å; L362-L450 HydrophobicContact CD2-CD2 4.31Å |
| 363 | K | 89 | Confident | 80.3 | Confident | 109 Ų | 109 | 66.1 Ų | 66.1 | 47% | 0.474 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 174.2 | -77.1 | 168 | -178.9 | 171.7 | 0 | 111.5 | I359 E360 H366 S367 | I359-K363 HydrophobicContact CG2-CD 4.26Å; I359-K363 WeakPolarHBondContact O-CB 3.42Å; I359-K363 VanDerWaalsContact O-CG 3.25Å; I359-K363 WeakPolarHBondContact O-CG 3.29Å; I359-K363 PolarHBondContact O-N 3.26Å; E360-K363 PolarHBondContact O-N 3.36Å; K363-H366 PolarHBondContact O-N 3.11Å; K363-S367 WeakPolarHBondContact O-CB 3.32Å; K363-S367 PolarHBondContact O-N 3.08Å; K363-S367 PolarHBondContact O-OG 3.41Å |
| 364 | A | 88.5 | Confident | 82.6 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 19% | 0.19 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.6 | -52.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | E360 E361 L362 H366 S367 E368 | E360-A364 WeakPolarHBondContact O-CB 3.28Å; E360-A364 PolarHBondContact O-N 3.41Å; E361-A364 PolarHBondContact O-N 3.09Å; L362-A364 VanDerWaalsContact C-N 3.34Å; A364-H366 VanDerWaalsContact C-N 3.31Å; A364-H366 PolarHBondContact O-N 2.86Å; A364-S367 PolarHBondContact O-N 3.41Å; A364-S367 PolarHBondContact O-OG 3.13Å; A364-E368 PolarHBondContact O-N 3.29Å |
| 365 | Y | 88.7 | Confident | 84.9 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 14% | 0.141 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.2 | -41.9 | 175.7 | -68.1 | -9.9 | 0 | 0 | 0 | 111.6 | E361 S367 E368 C369 W439 K442 L446 | E361-Y365 HydrophobicContact CG-CD1 4.35Å; E361-Y365 HydrophobicContact CG-CD2 4.29Å; E361-Y365 HydrophobicContact CG-CE1 3.88Å; E361-Y365 HydrophobicContact CG-CE2 3.79Å; E361-Y365 WeakPolarHBondContact O-CB 3.47Å; E361-Y365 VanDerWaalsContact O-CG 3.28Å; E361-Y365 PolarHBondContact O-N 3.04Å; E361-Y365 PolarHBondContact OE1-OH 3.17Å; Y365-S367 PolarHBondContact O-N 3.15Å; Y365-E368 PolarHBondContact O-N 2.92Å; Y365-C369 PolarHBondContact O-N 3.31Å; Y365-C369 PolarHBondContact O-SG 2.99Å; Y365-W439 AromaticContact CD1-CE3 3.49Å; Y365-W439 HydrophobicContact CD1-CE3 3.49Å; Y365-W439 VanDerWaalsContact CD1-CE3 3.49Å; Y365-W439 AromaticContact CD1-CZ3 3.45Å; Y365-W439 HydrophobicContact CD1-CZ3 3.45Å; Y365-W439 VanDerWaalsContact CD1-CZ3 3.45Å; Y365-W439 AromaticContact CE1-CE3 3.91Å; Y365-W439 HydrophobicContact CE1-CE3 3.91Å; Y365-W439 AromaticContact CE1-CZ3 3.5Å; Y365-W439 HydrophobicContact CE1-CZ3 3.5Å; Y365-W439 VanDerWaalsContact CE1-CZ3 3.5Å; Y365-W439 HydrophobicContact CG-CE3 4.17Å; Y365-K442 HydrophobicContact CD2-CB 3.56Å; Y365-K442 HydrophobicContact CE2-CB 3.61Å; Y365-K442 HydrophobicContact CE2-CD 4.11Å; Y365-K442 HydrophobicContact CE2-CG 4.4Å; Y365-K442 HydrophobicContact CG-CB 4.33Å; Y365-L446 HydrophobicContact CD2-CD1 3.5Å; Y365-L446 HydrophobicContact CD2-CG 4.26Å; Y365-L446 HydrophobicContact CE2-CD1 3.51Å; Y365-L446 HydrophobicContact CE2-CG 4.17Å |
| 366 | H | 90.8 | Very high | 86.9 | Confident | 115 Ų | 115 | 54.7 Ų | 54.7 | 53% | 0.532 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 174.3 | -164.3 | 89 | 0 | 0 | 0 | 112.7 | L362 K363 A364 C369 V370 | L362-H366 VanDerWaalsContact O-CB 3.29Å; L362-H366 WeakPolarHBondContact O-CB 3.36Å; L362-H366 PolarHBondContact O-N 2.81Å; K363-H366 PolarHBondContact O-N 3.11Å; A364-H366 VanDerWaalsContact C-N 3.31Å; A364-H366 PolarHBondContact O-N 2.86Å; H366-C369 WeakPolarHBondContact O-CB 3.43Å; H366-V370 WeakPolarHBondContact O-CG2 3.45Å; H366-V370 PolarHBondContact O-N 3.37Å; H366-V370 VanDerWaalsContact O-N 3.15Å |
| 367 | S | 90.8 | Very high | 88.7 | Confident | 68 Ų | 68 | 57.3 Ų | 57.3 | 48% | 0.476 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.9 | -38.9 | 176.7 | 74.1 | 0 | 0 | 0 | 0 | 112.7 | K363 A364 Y365 V370 F371 | K363-S367 WeakPolarHBondContact O-CB 3.32Å; K363-S367 PolarHBondContact O-N 3.08Å; K363-S367 PolarHBondContact O-OG 3.41Å; A364-S367 PolarHBondContact O-N 3.41Å; A364-S367 PolarHBondContact O-OG 3.13Å; Y365-S367 PolarHBondContact O-N 3.15Å; S367-V370 PolarHBondContact O-N 2.99Å; S367-F371 PolarHBondContact O-N 3.12Å |
| 368 | E | 91.9 | Very high | 89.8 | Confident | 63 Ų | 63 | 58.8 Ų | 58.8 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.2 | -38.2 | 176.8 | -159.3 | 61.3 | -149.5 | 0 | 0 | 111 | A364 Y365 V370 F371 L372 W439 | A364-E368 PolarHBondContact O-N 3.29Å; Y365-E368 PolarHBondContact O-N 2.92Å; E368-V370 VanDerWaalsContact C-N 3.29Å; E368-V370 PolarHBondContact O-N 2.86Å; E368-F371 PolarHBondContact O-N 2.78Å; E368-L372 HydrophobicContact CG-CD1 4.06Å; E368-L372 HydrophobicContact CG-CG 4.41Å; E368-L372 WeakPolarHBondContact O-CB 3.48Å; E368-L372 WeakPolarHBondContact O-CG 3.41Å; E368-L372 PolarHBondContact O-N 2.67Å; E368-W439 HydrophobicContact CB-CD2 4.15Å; E368-W439 HydrophobicContact CB-CE3 4.27Å; E368-W439 HydrophobicContact CB-CG 4.43Å; E368-W439 HydrophobicContact CG-CD2 3.92Å; E368-W439 HydrophobicContact CG-CE3 4.34Å; E368-W439 HydrophobicContact CG-CG 4.3Å; E368-W439 HydrophobicContact CG-CH2 4.42Å; E368-W439 HydrophobicContact CG-CZ2 4.02Å |
| 369 | C | 90.4 | Very high | 90.7 | Very high | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.034 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -53.6 | -46.2 | 168.4 | -69.2 | 0 | 0 | 0 | 0 | 112.2 | Y365 H366 Q373 W439 R440 | Y365-C369 PolarHBondContact O-N 3.31Å; Y365-C369 PolarHBondContact O-SG 2.99Å; H366-C369 WeakPolarHBondContact O-CB 3.43Å; C369-Q373 WeakPolarHBondContact O-CB 3.35Å; C369-Q373 PolarHBondContact O-N 2.98Å; C369-W439 WeakPolarHBondContact SG-CB 3.28Å; C369-R440 HydrophobicContact CB-CG 4.17Å; C369-R440 VanDerWaalsContact SG-CA 3.54Å; C369-R440 VanDerWaalsContact SG-CG 3.51Å; C369-R440 PolarHBondContact SG-N 3.37Å |
| 370 | V | 92.4 | Very high | 91.5 | Very high | 65 Ų | 65 | 57.9 Ų | 57.9 | 39% | 0.394 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71.9 | -38.7 | -178.8 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | H366 S367 E368 N374 | H366-V370 WeakPolarHBondContact O-CG2 3.45Å; H366-V370 PolarHBondContact O-N 3.37Å; H366-V370 VanDerWaalsContact O-N 3.15Å; S367-V370 PolarHBondContact O-N 2.99Å; E368-V370 VanDerWaalsContact C-N 3.29Å; E368-V370 PolarHBondContact O-N 2.86Å; V370-N374 WeakPolarHBondContact O-CB 3.47Å; V370-N374 PolarHBondContact O-N 3.44Å; V370-N374 PolarHBondContact O-ND2 3Å |
| 371 | F | 94.7 | Very high | 92.1 | Very high | 115 Ų | 115 | 64.1 Ų | 64.1 | 50% | 0.504 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.7 | -55 | 175.1 | 175.6 | -106.8 | 0 | 0 | 0 | 111.6 | S367 E368 Q373 N374 Y375 | S367-F371 PolarHBondContact O-N 3.12Å; E368-F371 PolarHBondContact O-N 2.78Å; F371-Q373 VanDerWaalsContact C-N 3.34Å; F371-Q373 PolarHBondContact O-N 2.97Å; F371-N374 WeakPolarHBondContact O-CB 3.32Å; F371-N374 PolarHBondContact O-N 3.2Å; F371-N374 VanDerWaalsContact O-N 3.15Å; F371-Y375 PolarHBondContact O-N 3.05Å |
| 372 | L | 93.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 64.8 Ų | 64.8 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64 | -37.8 | 179.6 | -65.7 | 170.6 | 0 | 0 | 0 | 111.8 | E368 N374 Y375 V376 Y432 E435 C436 W439 | E368-L372 HydrophobicContact CG-CD1 4.06Å; E368-L372 HydrophobicContact CG-CG 4.41Å; E368-L372 WeakPolarHBondContact O-CB 3.48Å; E368-L372 WeakPolarHBondContact O-CG 3.41Å; E368-L372 PolarHBondContact O-N 2.67Å; L372-N374 VanDerWaalsContact C-N 3.34Å; L372-N374 PolarHBondContact O-N 3.4Å; L372-Y375 PolarHBondContact O-N 2.92Å; L372-V376 WeakPolarHBondContact O-CG2 3.41Å; L372-V376 PolarHBondContact O-N 3.24Å; L372-Y432 HydrophobicContact CD2-CD1 3.86Å; L372-Y432 HydrophobicContact CD2-CE1 4.29Å; L372-E435 HydrophobicContact CD1-CB 4.2Å; L372-E435 HydrophobicContact CD1-CG 3.98Å; L372-C436 WeakPolarHBondContact CB-SG 3.46Å; L372-W439 HydrophobicContact CD1-CG 4.31Å |
| 373 | Q | 94.5 | Very high | 92.8 | Very high | 78 Ų | 78 | 64.6 Ų | 64.6 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 174.4 | 179.4 | 175.5 | -14.5 | 0 | 0 | 111.9 | C369 F371 M377 C436 | C369-Q373 WeakPolarHBondContact O-CB 3.35Å; C369-Q373 PolarHBondContact O-N 2.98Å; F371-Q373 VanDerWaalsContact C-N 3.34Å; F371-Q373 PolarHBondContact O-N 2.97Å; Q373-M377 WeakPolarHBondContact O-CG 3.15Å; Q373-M377 PolarHBondContact O-N 3.32Å; Q373-C436 PolarHBondContact N-SG 3.22Å; Q373-C436 VanDerWaalsContact N-SG 3.4Å |
| 374 | N | 95.4 | Very high | 92.8 | Very high | 82 Ų | 82 | 60.9 Ų | 60.9 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.6 | -37.9 | 173.1 | -72.8 | -35.8 | 0 | 0 | 0 | 111.6 | V370 F371 L372 M377 E378 | V370-N374 WeakPolarHBondContact O-CB 3.47Å; V370-N374 PolarHBondContact O-N 3.44Å; V370-N374 PolarHBondContact O-ND2 3Å; F371-N374 WeakPolarHBondContact O-CB 3.32Å; F371-N374 PolarHBondContact O-N 3.2Å; F371-N374 VanDerWaalsContact O-N 3.15Å; L372-N374 VanDerWaalsContact C-N 3.34Å; L372-N374 PolarHBondContact O-N 3.4Å; N374-M377 PolarHBondContact O-N 2.98Å; N374-M377 WeakPolarHBondContact OD1-CE 3.18Å; N374-E378 PolarHBondContact O-N 2.9Å |
| 375 | Y | 94.9 | Very high | 92.8 | Very high | 93 Ų | 93 | 62.8 Ų | 62.8 | 37% | 0.365 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.1 | -40.7 | 177 | -158.4 | -103.4 | 0 | 0 | 0 | 112.4 | F371 L372 E378 L379 Y432 | F371-Y375 PolarHBondContact O-N 3.05Å; L372-Y375 PolarHBondContact O-N 2.92Å; Y375-E378 PolarHBondContact O-N 3.33Å; Y375-L379 HydrophobicContact CD1-CD1 3.83Å; Y375-L379 HydrophobicContact CD1-CG 4.19Å; Y375-L379 HydrophobicContact CE1-CD1 3.71Å; Y375-L379 HydrophobicContact CE1-CD2 4.34Å; Y375-L379 HydrophobicContact CE1-CG 4.02Å; Y375-L379 WeakPolarHBondContact O-CG 3.43Å; Y375-L379 PolarHBondContact O-N 3.06Å; Y375-Y432 AromaticContact CD1-CD2 3.8Å; Y375-Y432 HydrophobicContact CD1-CD2 3.8Å; Y375-Y432 HydrophobicContact CD1-CE1 4.5Å; Y375-Y432 AromaticContact CD1-CE2 3.6Å; Y375-Y432 HydrophobicContact CD1-CE2 3.6Å; Y375-Y432 HydrophobicContact CD1-CG 4.33Å; Y375-Y432 AromaticContact CD1-CZ 3.98Å; Y375-Y432 HydrophobicContact CE1-CD2 4.06Å; Y375-Y432 AromaticContact CE1-CE2 3.41Å; Y375-Y432 HydrophobicContact CE1-CE2 3.41Å; Y375-Y432 VanDerWaalsContact CE1-CE2 3.41Å; Y375-Y432 AromaticContact CE1-CZ 3.76Å |
| 376 | V | 95.6 | Very high | 92.7 | Very high | 12 Ų | 12 | 65.1 Ų | 65.1 | 7% | 0.073 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58 | -47.3 | 169.7 | 168.7 | 0 | 0 | 0 | 0 | 110.8 | L372 E378 L379 Q380 Y432 K433 | L372-V376 WeakPolarHBondContact O-CG2 3.41Å; L372-V376 PolarHBondContact O-N 3.24Å; V376-E378 VanDerWaalsContact C-N 3.28Å; V376-E378 PolarHBondContact O-N 3.4Å; V376-L379 PolarHBondContact O-N 3.2Å; V376-Q380 HydrophobicContact CG1-CG 4.37Å; V376-Q380 VanDerWaalsContact O-CB 3.32Å; V376-Q380 WeakPolarHBondContact O-CB 3.46Å; V376-Q380 VanDerWaalsContact O-CG 3.24Å; V376-Q380 WeakPolarHBondContact O-CG 3.48Å; V376-Q380 PolarHBondContact O-N 3.21Å; V376-Y432 VanDerWaalsContact CG2-CB 3.49Å; V376-K433 HydrophobicContact CG1-CG 4.01Å; V376-K433 HydrophobicContact CG2-CG 4.32Å |
| 377 | M | 94.8 | Very high | 92.3 | Very high | 85 Ų | 85 | 64.5 Ų | 64.5 | 42% | 0.419 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.7 | -30.3 | 177 | -72.6 | -167.9 | -58 | 0 | 0 | 113.1 | Q373 N374 R381 | Q373-M377 WeakPolarHBondContact O-CG 3.15Å; Q373-M377 PolarHBondContact O-N 3.32Å; N374-M377 PolarHBondContact O-N 2.98Å; N374-M377 WeakPolarHBondContact OD1-CE 3.18Å; M377-R381 WeakPolarHBondContact O-CB 3.46Å; M377-R381 PolarHBondContact O-N 3.29Å |
| 378 | E | 95.5 | Very high | 91.8 | Very high | 69 Ų | 69 | 67.9 Ų | 67.9 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -74.7 | -45.3 | 176.6 | -161.1 | 61.4 | -132.7 | 0 | 0 | 111.5 | N374 Y375 V376 Q380 R381 Q382 | N374-E378 PolarHBondContact O-N 2.9Å; Y375-E378 PolarHBondContact O-N 3.33Å; V376-E378 VanDerWaalsContact C-N 3.28Å; V376-E378 PolarHBondContact O-N 3.4Å; E378-Q380 VanDerWaalsContact C-N 3.35Å; E378-Q380 PolarHBondContact O-N 3.19Å; E378-R381 WeakPolarHBondContact O-CB 3.45Å; E378-R381 PolarHBondContact O-N 2.86Å; E378-R381 VanDerWaalsContact O-N 3.13Å; E378-R381 IonicContact OE1-CZ 2.97Å; E378-R381 IonicContact OE1-NH1 2.69Å; E378-R381 PolarHBondContact OE1-NH1 3.43Å; E378-R381 IonicContact OE1-NH2 3.54Å; E378-R381 IonicContact OE2-CZ 3.34Å; E378-R381 IonicContact OE2-NH1 2.69Å; E378-R381 PolarHBondContact OE2-NH1 3.48Å; E378-R381 IonicContact OE2-NH2 3.05Å; E378-R381 PolarHBondContact OE2-NH2 3.24Å; E378-Q382 WeakPolarHBondContact O-CG 3.26Å; E378-Q382 PolarHBondContact O-N 2.68Å |
| 379 | L | 94.3 | Very high | 91.1 | Very high | 6 Ų | 6 | 67.3 Ų | 67.3 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 173.2 | -70.2 | 175.3 | 0 | 0 | 0 | 111.7 | Y375 V376 R381 Q382 L383 M425 Q428 I429 Y432 | Y375-L379 HydrophobicContact CD1-CD1 3.83Å; Y375-L379 HydrophobicContact CD1-CG 4.19Å; Y375-L379 HydrophobicContact CE1-CD1 3.71Å; Y375-L379 HydrophobicContact CE1-CD2 4.34Å; Y375-L379 HydrophobicContact CE1-CG 4.02Å; Y375-L379 WeakPolarHBondContact O-CG 3.43Å; Y375-L379 PolarHBondContact O-N 3.06Å; V376-L379 PolarHBondContact O-N 3.2Å; L379-R381 VanDerWaalsContact C-N 3.3Å; L379-R381 PolarHBondContact O-N 3.02Å; L379-Q382 PolarHBondContact O-N 3.04Å; L379-L383 WeakPolarHBondContact O-CB 3.35Å; L379-L383 PolarHBondContact O-N 2.84Å; L379-M425 HydrophobicContact CB-CE 4.39Å; L379-M425 HydrophobicContact CD2-CE 3.71Å; L379-Q428 HydrophobicContact CD1-CG 4.1Å; L379-I429 HydrophobicContact CB-CD1 3.96Å; L379-I429 HydrophobicContact CB-CG1 3.55Å; L379-I429 HydrophobicContact CD1-CG1 4.07Å; L379-I429 HydrophobicContact CG-CG1 4.47Å; L379-Y432 HydrophobicContact CD1-CD2 3.64Å; L379-Y432 HydrophobicContact CD1-CE2 3.82Å |
| 380 | Q | 94.4 | Very high | 90 | Very high | 83 Ų | 83 | 71.6 Ų | 71.6 | 39% | 0.388 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.8 | -35.8 | 173.5 | -75.2 | 178.4 | -35.9 | 0 | 0 | 112.2 | V376 E378 A384 I429 | V376-Q380 HydrophobicContact CG1-CG 4.37Å; V376-Q380 VanDerWaalsContact O-CB 3.32Å; V376-Q380 WeakPolarHBondContact O-CB 3.46Å; V376-Q380 VanDerWaalsContact O-CG 3.24Å; V376-Q380 WeakPolarHBondContact O-CG 3.48Å; V376-Q380 PolarHBondContact O-N 3.21Å; E378-Q380 VanDerWaalsContact C-N 3.35Å; E378-Q380 PolarHBondContact O-N 3.19Å; Q380-A384 WeakPolarHBondContact O-CB 3.4Å; Q380-A384 PolarHBondContact O-N 2.84Å; Q380-I429 HydrophobicContact CG-CD1 4.09Å; Q380-I429 HydrophobicContact CG-CG2 4.16Å |
| 381 | R | 94.1 | Very high | 88.7 | Confident | 139 Ų | 139 | 79 Ų | 79 | 53% | 0.525 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68 | -40.6 | 173.4 | -164.6 | -171.6 | -50.9 | 132.5 | 21.7 | 111.7 | M377 E378 L379 A384 S385 | M377-R381 WeakPolarHBondContact O-CB 3.46Å; M377-R381 PolarHBondContact O-N 3.29Å; E378-R381 WeakPolarHBondContact O-CB 3.45Å; E378-R381 PolarHBondContact O-N 2.86Å; E378-R381 VanDerWaalsContact O-N 3.13Å; E378-R381 IonicContact OE1-CZ 2.97Å; E378-R381 IonicContact OE1-NH1 2.69Å; E378-R381 PolarHBondContact OE1-NH1 3.43Å; E378-R381 IonicContact OE1-NH2 3.54Å; E378-R381 IonicContact OE2-CZ 3.34Å; E378-R381 IonicContact OE2-NH1 2.69Å; E378-R381 PolarHBondContact OE2-NH1 3.48Å; E378-R381 IonicContact OE2-NH2 3.05Å; E378-R381 PolarHBondContact OE2-NH2 3.24Å; L379-R381 VanDerWaalsContact C-N 3.3Å; L379-R381 PolarHBondContact O-N 3.02Å; R381-A384 PolarHBondContact O-N 3.07Å; R381-S385 PolarHBondContact O-N 3.26Å; R381-S385 PolarHBondContact O-OG 3.27Å |
| 382 | Q | 92.1 | Very high | 87 | Confident | 83 Ų | 83 | 78.4 Ų | 78.4 | 39% | 0.388 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 176.8 | -71 | 172.7 | 20.1 | 0 | 0 | 111.6 | E378 L379 S385 N386 M425 | E378-Q382 WeakPolarHBondContact O-CG 3.26Å; E378-Q382 PolarHBondContact O-N 2.68Å; L379-Q382 PolarHBondContact O-N 3.04Å; Q382-S385 VanDerWaalsContact CA-OG 3.31Å; Q382-S385 WeakPolarHBondContact CA-OG 3.45Å; Q382-S385 PolarHBondContact O-N 2.84Å; Q382-S385 PolarHBondContact O-OG 3.02Å; Q382-N386 VanDerWaalsContact O-CG 3.26Å; Q382-N386 PolarHBondContact O-N 3.03Å; Q382-M425 HydrophobicContact CB-CE 3.55Å |
| 383 | L | 91.7 | Very high | 85.3 | Confident | 22 Ų | 22 | 84.8 Ų | 84.8 | 12% | 0.115 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -56 | -52.9 | 172.1 | -163 | 92.1 | 0 | 0 | 0 | 110.5 | L379 S385 N386 E387 Y422 M425 E426 I429 | L379-L383 WeakPolarHBondContact O-CB 3.35Å; L379-L383 PolarHBondContact O-N 2.84Å; L383-S385 VanDerWaalsContact C-N 3.31Å; L383-S385 PolarHBondContact O-N 3.42Å; L383-N386 WeakPolarHBondContact O-CB 3.46Å; L383-N386 PolarHBondContact O-N 3.41Å; L383-N386 VanDerWaalsContact O-N 3.09Å; L383-E387 WeakPolarHBondContact O-CG 3.42Å; L383-E387 PolarHBondContact O-N 2.93Å; L383-Y422 HydrophobicContact CD1-CD1 3.9Å; L383-Y422 HydrophobicContact CG-CD1 4.37Å; L383-M425 HydrophobicContact CB-SD 4.26Å; L383-M425 HydrophobicContact CD1-CB 3.95Å; L383-M425 HydrophobicContact CD1-CG 3.93Å; L383-M425 HydrophobicContact CD1-SD 3.82Å; L383-E426 HydrophobicContact CD1-CG 4.31Å; L383-E426 HydrophobicContact CD2-CG 4.49Å; L383-I429 HydrophobicContact CB-CD1 4.49Å |
| 384 | A | 90.5 | Very high | 83.3 | Confident | 32 Ų | 32 | 90.8 Ų | 90.8 | 26% | 0.264 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.6 | -29.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q380 R381 Q388 | Q380-A384 WeakPolarHBondContact O-CB 3.4Å; Q380-A384 PolarHBondContact O-N 2.84Å; R381-A384 PolarHBondContact O-N 3.07Å; A384-Q388 VanDerWaalsContact O-CG 3.3Å; A384-Q388 WeakPolarHBondContact O-CG 3.14Å; A384-Q388 PolarHBondContact O-N 2.89Å; A384-Q388 VanDerWaalsContact O-N 3.15Å |
| 385 | S | 88.1 | Confident | 81.2 | Confident | 62 Ų | 62 | 93.2 Ų | 93.2 | 43% | 0.434 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -74.7 | -32.5 | 172.2 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | R381 Q382 L383 Q388 G389 | R381-S385 PolarHBondContact O-N 3.26Å; R381-S385 PolarHBondContact O-OG 3.27Å; Q382-S385 VanDerWaalsContact CA-OG 3.31Å; Q382-S385 WeakPolarHBondContact CA-OG 3.45Å; Q382-S385 PolarHBondContact O-N 2.84Å; Q382-S385 PolarHBondContact O-OG 3.02Å; L383-S385 VanDerWaalsContact C-N 3.31Å; L383-S385 PolarHBondContact O-N 3.42Å; S385-Q388 PolarHBondContact O-N 3.25Å; S385-G389 PolarHBondContact O-N 3.35Å |
| 386 | N | 85.4 | Confident | 78.8 | Confident | 85 Ų | 85 | 97.7 Ų | 97.7 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.5 | -41.2 | 173.7 | -68.7 | -13.1 | 0 | 0 | 0 | 110.9 | Q382 L383 Q388 G389 S390 | Q382-N386 VanDerWaalsContact O-CG 3.26Å; Q382-N386 PolarHBondContact O-N 3.03Å; L383-N386 WeakPolarHBondContact O-CB 3.46Å; L383-N386 PolarHBondContact O-N 3.41Å; L383-N386 VanDerWaalsContact O-N 3.09Å; N386-Q388 VanDerWaalsContact C-N 3.3Å; N386-Q388 PolarHBondContact O-N 2.76Å; N386-G389 PolarHBondContact O-N 3.43Å; N386-S390 WeakPolarHBondContact O-CB 3.42Å; N386-S390 PolarHBondContact O-N 2.83Å |
| 387 | E | 82.8 | Confident | 76.3 | Confident | 102 Ų | 102 | 103.1 Ų | 103.1 | 48% | 0.477 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.9 | -39.2 | 171.6 | -70.8 | -177.7 | 154.8 | 0 | 0 | 112.7 | L383 R391 Y422 | L383-E387 WeakPolarHBondContact O-CG 3.42Å; L383-E387 PolarHBondContact O-N 2.93Å; E387-R391 WeakPolarHBondContact O-CG 3.26Å; E387-Y422 HydrophobicContact CG-CE1 4.11Å |
| 388 | Q | 80.7 | Confident | 74 | Confident | 140 Ų | 140 | 107.5 Ų | 107.5 | 65% | 0.654 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -73.4 | -43.3 | 177.3 | -75 | 174.8 | 44.4 | 0 | 0 | 112.2 | A384 S385 N386 S390 R391 | A384-Q388 VanDerWaalsContact O-CG 3.3Å; A384-Q388 WeakPolarHBondContact O-CG 3.14Å; A384-Q388 PolarHBondContact O-N 2.89Å; A384-Q388 VanDerWaalsContact O-N 3.15Å; S385-Q388 PolarHBondContact O-N 3.25Å; N386-Q388 VanDerWaalsContact C-N 3.3Å; N386-Q388 PolarHBondContact O-N 2.76Å; Q388-S390 VanDerWaalsContact C-N 3.3Å; Q388-S390 PolarHBondContact O-N 2.96Å; Q388-R391 PolarHBondContact O-N 2.8Å; Q388-R391 VanDerWaalsContact O-N 3.11Å |
| 389 | G | 76.8 | Confident | 71.7 | Confident | 51 Ų | 51 | 110.2 Ų | 110.2 | 53% | 0.526 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -58.7 | -41.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | S385 N386 R391 V392 | S385-G389 PolarHBondContact O-N 3.35Å; N386-G389 PolarHBondContact O-N 3.43Å; G389-R391 PolarHBondContact O-N 2.69Å; G389-V392 PolarHBondContact O-N 3.3Å |
| 390 | S | 68 | Low | 69.5 | Low | 94 Ų | 94 | 116.7 Ų | 116.7 | 66% | 0.657 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -8.1 | 177.5 | -168.8 | 0 | 0 | 0 | 0 | 114.8 | N386 Q388 | N386-S390 WeakPolarHBondContact O-CB 3.42Å; N386-S390 PolarHBondContact O-N 2.83Å; Q388-S390 VanDerWaalsContact C-N 3.3Å; Q388-S390 PolarHBondContact O-N 2.96Å |
| 391 | R | 64.5 | Low | 67.1 | Low | 220 Ų | 220 | 119.4 Ų | 119.4 | 83% | 0.83 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | -1.8 | -175.6 | -82.5 | -173.5 | 173.8 | -156.2 | 0.4 | 115.5 | E387 Q388 G389 | E387-R391 WeakPolarHBondContact O-CG 3.26Å; Q388-R391 PolarHBondContact O-N 2.8Å; Q388-R391 VanDerWaalsContact O-N 3.11Å; G389-R391 PolarHBondContact O-N 2.69Å |
| 392 | V | 59.6 | Low | 64.8 | Low | 103 Ų | 103 | 119.3 Ų | 119.3 | 62% | 0.624 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -75.9 | -44.6 | -172.4 | -179.2 | 0 | 0 | 0 | 0 | 112.4 | G389 K394 | G389-V392 PolarHBondContact O-N 3.3Å; V392-K394 PolarHBondContact O-N 3.03Å |
| 393 | D | 56.9 | Low | 62.3 | Low | 139 Ų | 139 | 118.3 Ų | 118.3 | 74% | 0.743 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -99.5 | 74.3 | -171.1 | -75.4 | -67.3 | 0 | 0 | 0 | 115.5 | ||
| 394 | K | 53.9 | Low | 60.1 | Low | 204 Ų | 204 | 123.5 Ų | 123.5 | 89% | 0.887 | 70% | 0.697 | S | S | * | * | trans | -174.1 | 103.3 | 133.6 | -98 | 142.8 | -161.8 | 128.7 | 0 | 112.4 | V392 | V392-K394 PolarHBondContact O-N 3.03Š| ||
| 395 | T | 50.5 | Low | 57.8 | Low | 134 Ų | 134 | 129.9 Ų | 129.9 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | trans | -81.3 | 114.9 | 169.4 | 50.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 396 | E | 45.4 | Very low | 55.6 | Low | 187 Ų | 187 | 132.1 Ų | 132.1 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | -175.6 | 124.1 | 125.5 | -104.7 | -176.7 | 175.5 | 0 | 0 | 110.9 | |||||
| 397 | P | 42 | Very low | 53.6 | Low | 125 Ų | 125 | 134.4 Ų | 134.4 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | trans | -97.9 | 131.5 | -179.3 | 35 | -30.8 | 0 | 0 | 0 | 112.7 | ||||
| 398 | L | 47.5 | Very low | 51.8 | Low | 177 Ų | 177 | 138 Ų | 138 | 93% | 0.927 | 77% | 0.773 | S | S | * | * | trans | -129.8 | 124.1 | 164.9 | -99.4 | 168.1 | 0 | 0 | 0 | 111.4 | ||||
| 399 | T | 46.7 | Very low | 50.5 | Low | 126 Ų | 126 | 138.1 Ų | 138.1 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -83.6 | 148.2 | -178.9 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 400 | V | 48 | Very low | 48.8 | Very low | 143 Ų | 143 | 139.4 Ų | 139.4 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -170.5 | 158.5 | 133 | 135.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 401 | D | 43.6 | Very low | 47.8 | Very low | 140 Ų | 140 | 140.3 Ų | 140.3 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | -67.2 | 144.8 | -167.3 | -76.3 | -70.8 | 0 | 0 | 0 | 118.9 | ||||
| 402 | V | 45.3 | Very low | 46.8 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | 31.2 | 125.2 | 125.6 | -171.7 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 403 | G | 41.2 | Very low | 45.9 | Very low | 61 Ų | 61 | 134.5 Ų | 134.5 | 63% | 0.629 | 82% | 0.819 | S | S | * | * | trans | 156.4 | 93.5 | 142 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 404 | T | 43.7 | Very low | 45.2 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | trans | 73.4 | 100.2 | 131 | -42 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 405 | L | 43.5 | Very low | 44.5 | Very low | 165 Ų | 165 | 127 Ų | 127 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | 69.8 | 152.9 | 149.7 | -88.5 | 83.6 | 0 | 0 | 0 | 122.3 | ||||
| 406 | P | 41.4 | Very low | 44.1 | Very low | 110 Ų | 110 | 124.6 Ų | 124.6 | 71% | 0.714 | 82% | 0.824 | S | S | * | * | trans | -118.3 | 165.5 | -170.4 | 42.7 | -31.1 | 0 | 0 | 0 | 115.6 | ||||
| 407 | T | 43.5 | Very low | 44 | Very low | 133 Ų | 133 | 120.5 Ų | 120.5 | 82% | 0.816 | 82% | 0.822 | S | S | * | * | trans | -154.2 | 109 | 152.9 | -43.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 408 | E | 45.5 | Very low | 44.5 | Very low | 176 Ų | 176 | 118.7 Ų | 118.7 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | trans | 39 | 161.5 | 147.7 | -52.8 | -165.5 | 149.4 | 0 | 0 | 125.3 | ||||
| 409 | V | 51.9 | Low | 44.8 | Very low | 144 Ų | 144 | 113 Ų | 113 | 87% | 0.873 | 81% | 0.81 | S | S | * | * | trans | 75.5 | 112.6 | 161.3 | -162.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 410 | G | 41.8 | Very low | 45.2 | Very low | 77 Ų | 77 | 110 Ų | 110 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | 154.9 | 77.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 411 | A | 48.2 | Very low | 45.7 | Very low | 114 Ų | 114 | 105.9 Ų | 105.9 | 94% | 0.942 | 79% | 0.79 | S | S | * | * | trans | -75.5 | 140.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 412 | G | 41.6 | Very low | 47 | Very low | 74 Ų | 74 | 103.3 Ų | 103.3 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | trans | 174.8 | 112 | 170.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 413 | S | 41.9 | Very low | 48.5 | Very low | 127 Ų | 127 | 100.6 Ų | 100.6 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | trans | 73.6 | 113.6 | 152.2 | -154.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 414 | A | 41.6 | Very low | 50.6 | Low | 104 Ų | 104 | 101 Ų | 101 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | -54.2 | 156.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 415 | G | 39 | Very low | 52.7 | Low | 81 Ų | 81 | 96.2 Ų | 96.2 | 84% | 0.835 | 72% | 0.724 | S | S | * | * | trans | 165.4 | 101.7 | 159.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 416 | G | 43.2 | Very low | 54.9 | Low | 83 Ų | 83 | 93.2 Ų | 93.2 | 86% | 0.856 | 71% | 0.706 | S | S | * | * | trans | 88.3 | 164.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 417 | A | 42.3 | Very low | 57.1 | Low | 102 Ų | 102 | 90.9 Ų | 90.9 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | cis | -161.2 | 149.4 | -10.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G419 | A417-G419 VanDerWaalsContact C-N 3.33Å; A417-G419 PolarHBondContact O-N 2.8Å | ||
| 418 | G | 52 | Low | 59.4 | Low | 87 Ų | 87 | 88.4 Ų | 88.4 | 90% | 0.897 | 68% | 0.675 | S | S | * | * | trans | 60.6 | -14.6 | 141 | 0 | 0 | 0 | 0 | 0 | 123.5 | G420 | G418-G420 PolarHBondContact O-N 2.7Å; G418-G420 VanDerWaalsContact O-N 3.16Å | ||
| 419 | G | 54.9 | Low | 61.7 | Low | 57 Ų | 57 | 80.3 Ų | 80.3 | 59% | 0.588 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -14.5 | -160.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | A417 G421 | A417-G419 VanDerWaalsContact C-N 3.33Å; A417-G419 PolarHBondContact O-N 2.8Å; G419-G421 VanDerWaalsContact C-N 3.33Å; G419-G421 PolarHBondContact O-N 3.31Å; G419-G421 VanDerWaalsContact O-N 3.14Å |
| 420 | G | 54.9 | Low | 63.6 | Low | 62 Ų | 62 | 78 Ų | 78 | 64% | 0.639 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -18.7 | -161.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | G418 Y422 | G418-G420 PolarHBondContact O-N 2.7Å; G418-G420 VanDerWaalsContact O-N 3.16Å; G420-Y422 PolarHBondContact O-N 3.45Å |
| 421 | G | 59.1 | Low | 66 | Low | 57 Ų | 57 | 76.7 Ų | 76.7 | 59% | 0.588 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.1 | -34.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115 | G419 | G419-G421 VanDerWaalsContact C-N 3.33Å; G419-G421 PolarHBondContact O-N 3.31Å; G419-G421 VanDerWaalsContact O-N 3.14Å |
| 422 | Y | 69.5 | Low | 68.2 | Low | 86 Ų | 86 | 74.1 Ų | 74.1 | 34% | 0.337 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.5 | -42.7 | -175.3 | -72.6 | -90.6 | 0 | 0 | 0 | 112.2 | L383 E387 G420 A424 M425 E426 | L383-Y422 HydrophobicContact CD1-CD1 3.9Å; L383-Y422 HydrophobicContact CG-CD1 4.37Å; E387-Y422 HydrophobicContact CG-CE1 4.11Å; G420-Y422 PolarHBondContact O-N 3.45Å; Y422-A424 VanDerWaalsContact C-N 3.29Å; Y422-A424 PolarHBondContact O-N 2.87Å; Y422-M425 PolarHBondContact O-N 3.01Å; Y422-E426 WeakPolarHBondContact O-CG 3.31Å; Y422-E426 PolarHBondContact O-N 3.35Å |
| 423 | S | 78.5 | Confident | 70.7 | Confident | 81 Ų | 81 | 74.1 Ų | 74.1 | 57% | 0.566 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.6 | -36.1 | -177.3 | 180 | 0 | 0 | 0 | 0 | 113.4 | A427 | S423-A427 VanDerWaalsContact O-CB 3.26Å; S423-A427 WeakPolarHBondContact O-CB 3.46Å; S423-A427 PolarHBondContact O-N 3.12Å |
| 424 | A | 85 | Confident | 73.1 | Confident | 68 Ų | 68 | 71.6 Ų | 71.6 | 56% | 0.562 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.3 | -38.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y422 Q428 | Y422-A424 VanDerWaalsContact C-N 3.29Å; Y422-A424 PolarHBondContact O-N 2.87Å; A424-Q428 WeakPolarHBondContact O-CB 3.22Å; A424-Q428 PolarHBondContact O-N 3.09Å |
| 425 | M | 88 | Confident | 75.5 | Confident | 32 Ų | 32 | 69.8 Ų | 69.8 | 16% | 0.158 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -73.8 | -37.9 | 178.4 | -164.9 | 169.4 | -153.7 | 0 | 0 | 111.8 | L379 Q382 L383 Y422 Q428 I429 | L379-M425 HydrophobicContact CB-CE 4.39Å; L379-M425 HydrophobicContact CD2-CE 3.71Å; Q382-M425 HydrophobicContact CB-CE 3.55Å; L383-M425 HydrophobicContact CB-SD 4.26Å; L383-M425 HydrophobicContact CD1-CB 3.95Å; L383-M425 HydrophobicContact CD1-CG 3.93Å; L383-M425 HydrophobicContact CD1-SD 3.82Å; Y422-M425 PolarHBondContact O-N 3.01Å; M425-Q428 PolarHBondContact O-N 2.81Å; M425-I429 HydrophobicContact CG-CD1 4.27Å; M425-I429 WeakPolarHBondContact O-CB 3.25Å; M425-I429 WeakPolarHBondContact O-CD1 3.3Å; M425-I429 VanDerWaalsContact O-CG1 3.26Å; M425-I429 WeakPolarHBondContact O-CG1 3.48Å; M425-I429 PolarHBondContact O-N 3.33Å |
| 426 | E | 88.9 | Confident | 78 | Confident | 103 Ų | 103 | 66.3 Ų | 66.3 | 48% | 0.481 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 173.2 | -69.8 | 177.8 | 136.2 | 0 | 0 | 111.9 | L383 Y422 Q428 I429 E430 | L383-E426 HydrophobicContact CD1-CG 4.31Å; L383-E426 HydrophobicContact CD2-CG 4.49Å; Y422-E426 WeakPolarHBondContact O-CG 3.31Å; Y422-E426 PolarHBondContact O-N 3.35Å; E426-Q428 VanDerWaalsContact C-N 3.31Å; E426-Q428 PolarHBondContact O-N 3.23Å; E426-I429 WeakPolarHBondContact O-CB 3.48Å; E426-I429 PolarHBondContact O-N 3.41Å; E426-E430 PolarHBondContact O-N 3.22Å |
| 427 | A | 88.3 | Confident | 80.3 | Confident | 61 Ų | 61 | 66.8 Ų | 66.8 | 50% | 0.504 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S423 E430 A431 | S423-A427 VanDerWaalsContact O-CB 3.26Å; S423-A427 WeakPolarHBondContact O-CB 3.46Å; S423-A427 PolarHBondContact O-N 3.12Å; A427-E430 PolarHBondContact O-N 2.89Å; A427-A431 WeakPolarHBondContact O-CB 3.45Å; A427-A431 PolarHBondContact O-N 2.88Å |
| 428 | Q | 91.9 | Very high | 82.6 | Confident | 80 Ų | 80 | 66.2 Ų | 66.2 | 37% | 0.374 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 173.8 | -175.7 | 173.2 | 25.3 | 0 | 0 | 112.1 | L379 A424 M425 E426 E430 A431 Y432 | L379-Q428 HydrophobicContact CD1-CG 4.1Å; A424-Q428 WeakPolarHBondContact O-CB 3.22Å; A424-Q428 PolarHBondContact O-N 3.09Å; M425-Q428 PolarHBondContact O-N 2.81Å; E426-Q428 VanDerWaalsContact C-N 3.31Å; E426-Q428 PolarHBondContact O-N 3.23Å; Q428-E430 VanDerWaalsContact C-N 3.35Å; Q428-A431 PolarHBondContact O-N 2.94Å; Q428-Y432 HydrophobicContact CG-CD2 3.88Å; Q428-Y432 HydrophobicContact CG-CE2 3.43Å; Q428-Y432 VanDerWaalsContact CG-CE2 3.43Å; Q428-Y432 WeakPolarHBondContact O-CD2 3.34Å; Q428-Y432 PolarHBondContact O-N 2.9Å; Q428-Y432 VanDerWaalsContact O-N 3.09Å |
| 429 | I | 92.7 | Very high | 84.5 | Confident | 7 Ų | 7 | 65.1 Ų | 65.1 | 4% | 0.036 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 173.5 | -77 | 163.8 | 0 | 0 | 0 | 110.8 | L379 Q380 L383 M425 E426 Y432 K433 | L379-I429 HydrophobicContact CB-CD1 3.96Å; L379-I429 HydrophobicContact CB-CG1 3.55Å; L379-I429 HydrophobicContact CD1-CG1 4.07Å; L379-I429 HydrophobicContact CG-CG1 4.47Å; Q380-I429 HydrophobicContact CG-CD1 4.09Å; Q380-I429 HydrophobicContact CG-CG2 4.16Å; L383-I429 HydrophobicContact CB-CD1 4.49Å; M425-I429 HydrophobicContact CG-CD1 4.27Å; M425-I429 WeakPolarHBondContact O-CB 3.25Å; M425-I429 WeakPolarHBondContact O-CD1 3.3Å; M425-I429 VanDerWaalsContact O-CG1 3.26Å; M425-I429 WeakPolarHBondContact O-CG1 3.48Å; M425-I429 PolarHBondContact O-N 3.33Å; E426-I429 WeakPolarHBondContact O-CB 3.48Å; E426-I429 PolarHBondContact O-N 3.41Å; I429-Y432 PolarHBondContact O-N 3.03Å; I429-K433 WeakPolarHBondContact O-CG 3.34Å; I429-K433 PolarHBondContact O-N 3.44Å |
| 430 | E | 92.6 | Very high | 86.2 | Confident | 94 Ų | 94 | 68.2 Ų | 68.2 | 44% | 0.439 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -71 | -35.2 | -179.9 | -154.1 | 60.7 | -136 | 0 | 0 | 112.7 | E426 A427 Q428 K433 T434 | E426-E430 PolarHBondContact O-N 3.22Å; A427-E430 PolarHBondContact O-N 2.89Å; Q428-E430 VanDerWaalsContact C-N 3.35Å; E430-K433 PolarHBondContact O-N 2.96Å; E430-K433 WeakPolarHBondContact OE1-CD 3.46Å; E430-K433 IonicContact OE1-NZ 2.75Å; E430-K433 WeakPolarHBondContact OE2-CD 3.35Å; E430-K433 IonicContact OE2-NZ 2.8Å; E430-K433 PolarHBondContact OE2-NZ 3.13Å; E430-T434 PolarHBondContact O-N 3.24Å; E430-T434 PolarHBondContact O-OG1 3.44Å |
| 431 | A | 91.6 | Very high | 87.9 | Confident | 51 Ų | 51 | 70 Ų | 70 | 42% | 0.421 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.3 | -49.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A427 Q428 K433 T434 E435 | A427-A431 WeakPolarHBondContact O-CB 3.45Å; A427-A431 PolarHBondContact O-N 2.88Å; Q428-A431 PolarHBondContact O-N 2.94Å; A431-K433 PolarHBondContact O-N 3.12Å; A431-T434 PolarHBondContact O-N 3.24Å; A431-T434 PolarHBondContact O-OG1 3.3Å; A431-E435 WeakPolarHBondContact O-CB 3.48Å; A431-E435 PolarHBondContact O-N 2.87Å |
| 432 | Y | 94.7 | Very high | 89.4 | Confident | 60 Ų | 60 | 71 Ų | 71 | 24% | 0.235 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -70.5 | -29 | 177.3 | -66.7 | -56.9 | 0 | 0 | 0 | 113.8 | L372 Y375 V376 L379 Q428 I429 C436 | L372-Y432 HydrophobicContact CD2-CD1 3.86Å; L372-Y432 HydrophobicContact CD2-CE1 4.29Å; Y375-Y432 AromaticContact CD1-CD2 3.8Å; Y375-Y432 HydrophobicContact CD1-CD2 3.8Å; Y375-Y432 HydrophobicContact CD1-CE1 4.5Å; Y375-Y432 AromaticContact CD1-CE2 3.6Å; Y375-Y432 HydrophobicContact CD1-CE2 3.6Å; Y375-Y432 HydrophobicContact CD1-CG 4.33Å; Y375-Y432 AromaticContact CD1-CZ 3.98Å; Y375-Y432 HydrophobicContact CE1-CD2 4.06Å; Y375-Y432 AromaticContact CE1-CE2 3.41Å; Y375-Y432 HydrophobicContact CE1-CE2 3.41Å; Y375-Y432 VanDerWaalsContact CE1-CE2 3.41Å; Y375-Y432 AromaticContact CE1-CZ 3.76Å; V376-Y432 VanDerWaalsContact CG2-CB 3.49Å; L379-Y432 HydrophobicContact CD1-CD2 3.64Å; L379-Y432 HydrophobicContact CD1-CE2 3.82Å; Q428-Y432 HydrophobicContact CG-CD2 3.88Å; Q428-Y432 HydrophobicContact CG-CE2 3.43Å; Q428-Y432 VanDerWaalsContact CG-CE2 3.43Å; Q428-Y432 WeakPolarHBondContact O-CD2 3.34Å; Q428-Y432 PolarHBondContact O-N 2.9Å; Q428-Y432 VanDerWaalsContact O-N 3.09Å; I429-Y432 PolarHBondContact O-N 3.03Å; Y432-C436 WeakPolarHBondContact O-CB 3.46Å; Y432-C436 PolarHBondContact O-N 3.31Å; Y432-C436 PolarHBondContact O-SG 3.36Å |
| 433 | K | 93.8 | Very high | 90.2 | Very high | 73 Ų | 73 | 67.3 Ų | 67.3 | 32% | 0.317 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 170.7 | -76 | 179.8 | -158 | 155.8 | 0 | 111.8 | V376 I429 E430 A431 E435 C436 V437 | V376-K433 HydrophobicContact CG1-CG 4.01Å; V376-K433 HydrophobicContact CG2-CG 4.32Å; I429-K433 WeakPolarHBondContact O-CG 3.34Å; I429-K433 PolarHBondContact O-N 3.44Å; E430-K433 PolarHBondContact O-N 2.96Å; E430-K433 WeakPolarHBondContact OE1-CD 3.46Å; E430-K433 IonicContact OE1-NZ 2.75Å; E430-K433 WeakPolarHBondContact OE2-CD 3.35Å; E430-K433 IonicContact OE2-NZ 2.8Å; E430-K433 PolarHBondContact OE2-NZ 3.13Å; A431-K433 PolarHBondContact O-N 3.12Å; K433-E435 VanDerWaalsContact C-N 3.3Å; K433-E435 PolarHBondContact O-N 2.95Å; K433-C436 WeakPolarHBondContact O-CB 3.43Å; K433-C436 PolarHBondContact O-N 3.36Å; K433-V437 WeakPolarHBondContact O-CG2 3.02Å; K433-V437 PolarHBondContact O-N 3.18Å; K433-V437 VanDerWaalsContact O-N 3.1Å |
| 434 | T | 91.9 | Very high | 90.6 | Very high | 75 Ų | 75 | 65.7 Ų | 65.7 | 46% | 0.46 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.8 | -37.8 | 178.3 | 48.7 | 0 | 0 | 0 | 0 | 110.8 | E430 A431 V437 I438 | E430-T434 PolarHBondContact O-N 3.24Å; E430-T434 PolarHBondContact O-OG1 3.44Å; A431-T434 PolarHBondContact O-N 3.24Å; A431-T434 PolarHBondContact O-OG1 3.3Å; T434-V437 PolarHBondContact O-N 3.3Å; T434-I438 WeakPolarHBondContact O-CG1 3.27Å; T434-I438 PolarHBondContact O-N 2.93Å; T434-I438 VanDerWaalsContact O-N 3.13Å |
| 435 | E | 92.3 | Very high | 90.7 | Very high | 65 Ų | 65 | 67.5 Ų | 67.5 | 30% | 0.304 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 170.9 | -149.1 | -168.1 | 155.9 | 0 | 0 | 112.3 | L372 A431 K433 V437 I438 W439 | L372-E435 HydrophobicContact CD1-CB 4.2Å; L372-E435 HydrophobicContact CD1-CG 3.98Å; A431-E435 WeakPolarHBondContact O-CB 3.48Å; A431-E435 PolarHBondContact O-N 2.87Å; K433-E435 VanDerWaalsContact C-N 3.3Å; K433-E435 PolarHBondContact O-N 2.95Å; E435-V437 PolarHBondContact O-N 3.32Å; E435-I438 PolarHBondContact O-N 2.96Å; E435-W439 PolarHBondContact O-N 3.28Å; E435-W439 PolarHBondContact OE1-NE1 2.71Å |
| 436 | C | 91 | Very high | 90.6 | Very high | 9 Ų | 9 | 67.1 Ų | 67.1 | 6% | 0.061 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -53.9 | -38.7 | 173.9 | -71.6 | 0 | 0 | 0 | 0 | 112.7 | L372 Q373 Y432 K433 R440 | L372-C436 WeakPolarHBondContact CB-SG 3.46Å; Q373-C436 PolarHBondContact N-SG 3.22Å; Q373-C436 VanDerWaalsContact N-SG 3.4Å; Y432-C436 WeakPolarHBondContact O-CB 3.46Å; Y432-C436 PolarHBondContact O-N 3.31Å; Y432-C436 PolarHBondContact O-SG 3.36Å; K433-C436 WeakPolarHBondContact O-CB 3.43Å; K433-C436 PolarHBondContact O-N 3.36Å; C436-R440 WeakPolarHBondContact O-CB 3.49Å; C436-R440 VanDerWaalsContact O-CG 3.24Å; C436-R440 WeakPolarHBondContact O-CG 3.37Å; C436-R440 PolarHBondContact O-N 3.47Å; C436-R440 VanDerWaalsContact O-N 3.08Å |
| 437 | V | 91.6 | Very high | 90.6 | Very high | 92 Ų | 92 | 66.3 Ų | 66.3 | 56% | 0.558 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -68.6 | -40.2 | 178.3 | 173.3 | 0 | 0 | 0 | 0 | 111 | K433 T434 E435 R440 L441 | K433-V437 WeakPolarHBondContact O-CG2 3.02Å; K433-V437 PolarHBondContact O-N 3.18Å; K433-V437 VanDerWaalsContact O-N 3.1Å; T434-V437 PolarHBondContact O-N 3.3Å; E435-V437 PolarHBondContact O-N 3.32Å; V437-R440 PolarHBondContact O-N 2.99Å; V437-L441 PolarHBondContact O-N 2.87Å |
| 438 | I | 90.6 | Very high | 90.4 | Very high | 91 Ų | 91 | 68 Ų | 68 | 47% | 0.467 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.6 | -49 | 177.4 | -66.4 | 164.6 | 0 | 0 | 0 | 111.1 | T434 E435 R440 L441 K442 | T434-I438 WeakPolarHBondContact O-CG1 3.27Å; T434-I438 PolarHBondContact O-N 2.93Å; T434-I438 VanDerWaalsContact O-N 3.13Å; E435-I438 PolarHBondContact O-N 2.96Å; I438-R440 VanDerWaalsContact C-N 3.3Å; I438-R440 PolarHBondContact O-N 3.5Å; I438-L441 PolarHBondContact O-N 3.18Å; I438-K442 WeakPolarHBondContact O-CG 3.32Å; I438-K442 PolarHBondContact O-N 2.8Å; I438-K442 VanDerWaalsContact O-N 3.1Å |
| 439 | W | 91.9 | Very high | 90 | Very high | 63 Ų | 63 | 66.3 Ų | 66.3 | 24% | 0.239 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.2 | -34.7 | 177.8 | -66.1 | 105.4 | 0 | 0 | 0 | 112 | Y365 E368 C369 L372 E435 S443 | Y365-W439 AromaticContact CD1-CE3 3.49Å; Y365-W439 HydrophobicContact CD1-CE3 3.49Å; Y365-W439 VanDerWaalsContact CD1-CE3 3.49Å; Y365-W439 AromaticContact CD1-CZ3 3.45Å; Y365-W439 HydrophobicContact CD1-CZ3 3.45Å; Y365-W439 VanDerWaalsContact CD1-CZ3 3.45Å; Y365-W439 AromaticContact CE1-CE3 3.91Å; Y365-W439 HydrophobicContact CE1-CE3 3.91Å; Y365-W439 AromaticContact CE1-CZ3 3.5Å; Y365-W439 HydrophobicContact CE1-CZ3 3.5Å; Y365-W439 VanDerWaalsContact CE1-CZ3 3.5Å; Y365-W439 HydrophobicContact CG-CE3 4.17Å; E368-W439 HydrophobicContact CB-CD2 4.15Å; E368-W439 HydrophobicContact CB-CE3 4.27Å; E368-W439 HydrophobicContact CB-CG 4.43Å; E368-W439 HydrophobicContact CG-CD2 3.92Å; E368-W439 HydrophobicContact CG-CE3 4.34Å; E368-W439 HydrophobicContact CG-CG 4.3Å; E368-W439 HydrophobicContact CG-CH2 4.42Å; E368-W439 HydrophobicContact CG-CZ2 4.02Å; C369-W439 WeakPolarHBondContact SG-CB 3.28Å; L372-W439 HydrophobicContact CD1-CG 4.31Å; E435-W439 PolarHBondContact O-N 3.28Å; E435-W439 PolarHBondContact OE1-NE1 2.71Å; W439-S443 WeakPolarHBondContact O-CB 3.42Å; W439-S443 PolarHBondContact O-N 2.94Å |
| 440 | R | 91.6 | Very high | 89.7 | Confident | 123 Ų | 123 | 67.2 Ų | 67.2 | 46% | 0.464 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 175.3 | -79.8 | 178.4 | -177.4 | 174.5 | 2 | 112.4 | C369 C436 V437 I438 S443 S444 | C369-R440 HydrophobicContact CB-CG 4.17Å; C369-R440 VanDerWaalsContact SG-CA 3.54Å; C369-R440 VanDerWaalsContact SG-CG 3.51Å; C369-R440 PolarHBondContact SG-N 3.37Å; C436-R440 WeakPolarHBondContact O-CB 3.49Å; C436-R440 VanDerWaalsContact O-CG 3.24Å; C436-R440 WeakPolarHBondContact O-CG 3.37Å; C436-R440 PolarHBondContact O-N 3.47Å; C436-R440 VanDerWaalsContact O-N 3.08Å; V437-R440 PolarHBondContact O-N 2.99Å; I438-R440 VanDerWaalsContact C-N 3.3Å; I438-R440 PolarHBondContact O-N 3.5Å; R440-S443 WeakPolarHBondContact O-CB 3.46Å; R440-S443 PolarHBondContact O-N 2.84Å; R440-S444 PolarHBondContact O-N 3.28Å |
| 441 | L | 89.4 | Confident | 89.4 | Confident | 98 Ų | 98 | 68.1 Ų | 68.1 | 51% | 0.513 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.7 | -51.4 | 177.5 | -172.4 | 66.9 | 0 | 0 | 0 | 110 | V437 I438 S443 S444 E445 | V437-L441 PolarHBondContact O-N 2.87Å; I438-L441 PolarHBondContact O-N 3.18Å; L441-S443 VanDerWaalsContact C-N 3.31Å; L441-S443 PolarHBondContact O-N 3.46Å; L441-S444 WeakPolarHBondContact O-CA 3.26Å; L441-S444 PolarHBondContact O-N 3.39Å; L441-S444 PolarHBondContact O-OG 2.99Å; L441-E445 WeakPolarHBondContact O-CG 3.5Å; L441-E445 PolarHBondContact O-N 3.34Å |
| 442 | K | 91.4 | Very high | 89 | Confident | 79 Ų | 79 | 72.2 Ų | 72.2 | 34% | 0.343 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.3 | -40.9 | 175.1 | -68.2 | -177.9 | 175 | -172 | 0 | 113.3 | Y365 I438 S444 E445 L446 | Y365-K442 HydrophobicContact CD2-CB 3.56Å; Y365-K442 HydrophobicContact CE2-CB 3.61Å; Y365-K442 HydrophobicContact CE2-CD 4.11Å; Y365-K442 HydrophobicContact CE2-CG 4.4Å; Y365-K442 HydrophobicContact CG-CB 4.33Å; I438-K442 WeakPolarHBondContact O-CG 3.32Å; I438-K442 PolarHBondContact O-N 2.8Å; I438-K442 VanDerWaalsContact O-N 3.1Å; K442-S444 VanDerWaalsContact C-N 3.32Å; K442-S444 PolarHBondContact O-N 2.92Å; K442-E445 WeakPolarHBondContact CA-OE2 3.38Å; K442-E445 PolarHBondContact O-N 3.04Å; K442-L446 PolarHBondContact O-N 3.38Å |
| 443 | S | 87.2 | Confident | 88.4 | Confident | 9 Ų | 9 | 73.8 Ų | 73.8 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 173.2 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | L362 W439 R440 L441 E447 | L362-S443 WeakPolarHBondContact CD1-O 3.25Å; L362-S443 WeakPolarHBondContact CD1-OG 3.42Å; W439-S443 WeakPolarHBondContact O-CB 3.42Å; W439-S443 PolarHBondContact O-N 2.94Å; R440-S443 WeakPolarHBondContact O-CB 3.46Å; R440-S443 PolarHBondContact O-N 2.84Å; L441-S443 VanDerWaalsContact C-N 3.31Å; L441-S443 PolarHBondContact O-N 3.46Å; S443-E447 WeakPolarHBondContact O-CB 3.26Å; S443-E447 PolarHBondContact O-N 3.06Å |
| 444 | S | 87 | Confident | 87.8 | Confident | 46 Ų | 46 | 74.3 Ų | 74.3 | 32% | 0.322 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -71.9 | -33 | 177.8 | 68.1 | 0 | 0 | 0 | 0 | 113.5 | R440 L441 K442 E447 I448 | R440-S444 PolarHBondContact O-N 3.28Å; L441-S444 WeakPolarHBondContact O-CA 3.26Å; L441-S444 PolarHBondContact O-N 3.39Å; L441-S444 PolarHBondContact O-OG 2.99Å; K442-S444 VanDerWaalsContact C-N 3.32Å; K442-S444 PolarHBondContact O-N 2.92Å; S444-E447 PolarHBondContact O-N 2.96Å; S444-I448 WeakPolarHBondContact O-CG1 3.47Å; S444-I448 PolarHBondContact O-N 3.35Å |
| 445 | E | 85.8 | Confident | 87.3 | Confident | 106 Ų | 106 | 73.4 Ų | 73.4 | 50% | 0.495 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.9 | -46.5 | 175.4 | -70.3 | 166.7 | 162.4 | 0 | 0 | 111.1 | L441 K442 I448 A449 | L441-E445 WeakPolarHBondContact O-CG 3.5Å; L441-E445 PolarHBondContact O-N 3.34Å; K442-E445 WeakPolarHBondContact CA-OE2 3.38Å; K442-E445 PolarHBondContact O-N 3.04Å; E445-I448 PolarHBondContact O-N 2.88Å; E445-A449 PolarHBondContact O-N 3.48Å |
| 446 | L | 87 | Confident | 86.8 | Confident | 24 Ų | 24 | 72.5 Ų | 72.5 | 13% | 0.126 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 172.6 | -71.2 | -175.4 | 0 | 0 | 0 | 112.8 | L358 E361 L362 Y365 K442 I448 A449 L450 | L358-L446 HydrophobicContact CD2-CD2 3.78Å; E361-L446 HydrophobicContact CB-CD1 3.68Å; E361-L446 HydrophobicContact CG-CD1 3.62Å; L362-L446 HydrophobicContact CB-CB 4.2Å; L362-L446 HydrophobicContact CB-CD1 4.32Å; L362-L446 HydrophobicContact CD1-CB 4.23Å; Y365-L446 HydrophobicContact CD2-CD1 3.5Å; Y365-L446 HydrophobicContact CD2-CG 4.26Å; Y365-L446 HydrophobicContact CE2-CD1 3.51Å; Y365-L446 HydrophobicContact CE2-CG 4.17Å; K442-L446 PolarHBondContact O-N 3.38Å; L446-I448 VanDerWaalsContact C-N 3.25Å; L446-I448 PolarHBondContact O-N 3.22Å; L446-A449 PolarHBondContact O-N 2.92Å; L446-L450 VanDerWaalsContact O-CB 3.28Å; L446-L450 WeakPolarHBondContact O-CB 3.44Å; L446-L450 PolarHBondContact O-N 3.12Å |
| 447 | E | 88.2 | Confident | 86.2 | Confident | 87 Ų | 87 | 76.1 Ų | 76.1 | 41% | 0.407 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.6 | -30.6 | 177.6 | -158.1 | -164.8 | 149 | 0 | 0 | 112.2 | L362 S443 S444 K451 | L362-E447 HydrophobicContact CD1-CB 4.04Å; L362-E447 HydrophobicContact CD2-CB 4.31Å; L362-E447 HydrophobicContact CD2-CG 4.29Å; S443-E447 WeakPolarHBondContact O-CB 3.26Å; S443-E447 PolarHBondContact O-N 3.06Å; S444-E447 PolarHBondContact O-N 2.96Å; E447-K451 VanDerWaalsContact CD-NZ 3.33Å; E447-K451 VanDerWaalsContact O-CD 3.25Å; E447-K451 WeakPolarHBondContact O-CD 3.34Å; E447-K451 VanDerWaalsContact O-CG 3.22Å; E447-K451 WeakPolarHBondContact O-CG 3.39Å; E447-K451 PolarHBondContact O-N 3.21Å; E447-K451 WeakPolarHBondContact OE1-CE 3.47Å; E447-K451 IonicContact OE1-NZ 3.07Å; E447-K451 PolarHBondContact OE1-NZ 3.41Å |
| 448 | I | 83.7 | Confident | 85.8 | Confident | 95 Ų | 95 | 73.3 Ų | 73.3 | 49% | 0.487 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -74.5 | -52.3 | 173.3 | -68.7 | 164.3 | 0 | 0 | 0 | 110.2 | S444 E445 L446 L450 K451 E452 | S444-I448 WeakPolarHBondContact O-CG1 3.47Å; S444-I448 PolarHBondContact O-N 3.35Å; E445-I448 PolarHBondContact O-N 2.88Å; L446-I448 VanDerWaalsContact C-N 3.25Å; L446-I448 PolarHBondContact O-N 3.22Å; I448-L450 VanDerWaalsContact C-N 3.3Å; I448-L450 PolarHBondContact O-N 2.78Å; I448-K451 PolarHBondContact O-N 3.47Å; I448-E452 PolarHBondContact O-N 2.93Å |
| 449 | A | 84.3 | Confident | 85.5 | Confident | 45 Ų | 45 | 75.2 Ų | 75.2 | 37% | 0.372 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -56.4 | -43 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E445 L446 K451 E452 Q453 | E445-A449 PolarHBondContact O-N 3.48Å; L446-A449 PolarHBondContact O-N 2.92Å; A449-K451 PolarHBondContact O-N 3.12Å; A449-E452 PolarHBondContact O-N 2.87Å; A449-Q453 WeakPolarHBondContact O-CB 3.24Å; A449-Q453 PolarHBondContact O-N 3.24Å |
| 450 | L | 87 | Confident | 84.9 | Confident | 26 Ų | 26 | 77 Ų | 77 | 14% | 0.136 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 176.8 | -168.7 | 83.6 | 0 | 0 | 0 | 112.2 | L358 I359 L362 L446 I448 Q453 I454 | L358-L450 HydrophobicContact CB-CD1 3.89Å; I359-L450 HydrophobicContact CD1-CD1 4.33Å; I359-L450 HydrophobicContact CD1-CD2 4.44Å; I359-L450 HydrophobicContact CG1-CD1 3.54Å; I359-L450 HydrophobicContact CG1-CD2 3.82Å; I359-L450 HydrophobicContact CG1-CG 4.32Å; L362-L450 HydrophobicContact CD2-CD2 4.31Å; L446-L450 VanDerWaalsContact O-CB 3.28Å; L446-L450 WeakPolarHBondContact O-CB 3.44Å; L446-L450 PolarHBondContact O-N 3.12Å; I448-L450 VanDerWaalsContact C-N 3.3Å; I448-L450 PolarHBondContact O-N 2.78Å; L450-Q453 PolarHBondContact O-N 2.87Å; L450-I454 HydrophobicContact CD2-CD1 4.16Å; L450-I454 HydrophobicContact CG-CD1 3.93Å; L450-I454 WeakPolarHBondContact O-CB 3.4Å; L450-I454 VanDerWaalsContact O-CG1 3.26Å; L450-I454 WeakPolarHBondContact O-CG1 3.42Å; L450-I454 PolarHBondContact O-N 3.27Å |
| 451 | K | 85.8 | Confident | 84.5 | Confident | 114 Ų | 114 | 75.5 Ų | 75.5 | 50% | 0.496 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 177.7 | -74.9 | 167.5 | -170.4 | 161 | 0 | 112 | E447 I448 A449 A455 | E447-K451 VanDerWaalsContact CD-NZ 3.33Å; E447-K451 VanDerWaalsContact O-CD 3.25Å; E447-K451 WeakPolarHBondContact O-CD 3.34Å; E447-K451 VanDerWaalsContact O-CG 3.22Å; E447-K451 WeakPolarHBondContact O-CG 3.39Å; E447-K451 PolarHBondContact O-N 3.21Å; E447-K451 WeakPolarHBondContact OE1-CE 3.47Å; E447-K451 IonicContact OE1-NZ 3.07Å; E447-K451 PolarHBondContact OE1-NZ 3.41Å; I448-K451 PolarHBondContact O-N 3.47Å; A449-K451 PolarHBondContact O-N 3.12Å; K451-A455 VanDerWaalsContact O-CB 3.26Å; K451-A455 WeakPolarHBondContact O-CB 3.45Å; K451-A455 PolarHBondContact O-N 2.86Å |
| 452 | E | 83.4 | Confident | 84.4 | Confident | 136 Ų | 136 | 76.7 Ų | 76.7 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -66.5 | -42.1 | 175.8 | -68.4 | -175.6 | 165.7 | 0 | 0 | 111.2 | I448 A449 A455 A456 | I448-E452 PolarHBondContact O-N 2.93Å; A449-E452 PolarHBondContact O-N 2.87Å; E452-A455 PolarHBondContact O-N 3.16Å; E452-A456 WeakPolarHBondContact O-CB 3.35Å; E452-A456 PolarHBondContact O-N 2.84Å |
| 453 | Q | 81.7 | Confident | 84.1 | Confident | 94 Ų | 94 | 77.4 Ų | 77.4 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 175.7 | -168.5 | -177.1 | 18.1 | 0 | 0 | 112.6 | A449 L450 A456 R457 | A449-Q453 WeakPolarHBondContact O-CB 3.24Å; A449-Q453 PolarHBondContact O-N 3.24Å; L450-Q453 PolarHBondContact O-N 2.87Å; Q453-A456 PolarHBondContact O-N 2.8Å; Q453-R457 PolarHBondContact O-N 3Å |
| 454 | I | 81.1 | Confident | 84 | Confident | 84 Ų | 84 | 82.1 Ų | 82.1 | 43% | 0.431 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 175.5 | -69.5 | 165.8 | 0 | 0 | 0 | 110.7 | W354 L450 A456 R457 G458 | W354-I454 HydrophobicContact CZ3-CG1 4.43Å; L450-I454 HydrophobicContact CD2-CD1 4.16Å; L450-I454 HydrophobicContact CG-CD1 3.93Å; L450-I454 WeakPolarHBondContact O-CB 3.4Å; L450-I454 VanDerWaalsContact O-CG1 3.26Å; L450-I454 WeakPolarHBondContact O-CG1 3.42Å; L450-I454 PolarHBondContact O-N 3.27Å; I454-A456 VanDerWaalsContact C-N 3.27Å; I454-A456 PolarHBondContact O-N 3.04Å; I454-R457 PolarHBondContact O-N 2.84Å; I454-G458 PolarHBondContact O-N 2.95Å |
| 455 | A | 82.5 | Confident | 84.1 | Confident | 56 Ų | 56 | 85 Ų | 85 | 46% | 0.463 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -69 | -22.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | K451 E452 K459 | K451-A455 VanDerWaalsContact O-CB 3.26Å; K451-A455 WeakPolarHBondContact O-CB 3.45Å; K451-A455 PolarHBondContact O-N 2.86Å; E452-A455 PolarHBondContact O-N 3.16Å; A455-K459 WeakPolarHBondContact O-CG 3.22Å |
| 456 | A | 81.5 | Confident | 84.2 | Confident | 45 Ų | 45 | 83.5 Ų | 83.5 | 37% | 0.372 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -78.7 | -47.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E452 Q453 I454 G458 K459 I460 | E452-A456 WeakPolarHBondContact O-CB 3.35Å; E452-A456 PolarHBondContact O-N 2.84Å; Q453-A456 PolarHBondContact O-N 2.8Å; I454-A456 VanDerWaalsContact C-N 3.27Å; I454-A456 PolarHBondContact O-N 3.04Å; A456-G458 PolarHBondContact O-N 3.33Å; A456-K459 WeakPolarHBondContact O-CB 3.49Å; A456-K459 PolarHBondContact O-N 2.87Å; A456-K459 VanDerWaalsContact O-N 3.12Å; A456-I460 PolarHBondContact O-N 3.21Å; A456-I460 VanDerWaalsContact O-N 3.16Å |
| 457 | R | 77.7 | Confident | 84.1 | Confident | 85 Ų | 85 | 87 Ų | 87 | 32% | 0.321 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.4 | -44.5 | -179.9 | -156.8 | -169.5 | -160.4 | -114.8 | 14.1 | 111.8 | W354 Q453 I454 K459 I460 E461 | W354-R457 VanDerWaalsContact CE2-CZ 3.4Å; W354-R457 VanDerWaalsContact CZ2-CD 3.4Å; Q453-R457 PolarHBondContact O-N 3Å; I454-R457 PolarHBondContact O-N 2.84Å; R457-K459 PolarHBondContact O-N 2.83Å; R457-I460 CarbonylContact O-C 3.55Å; R457-I460 WeakPolarHBondContact O-CA 3.36Å; R457-I460 WeakPolarHBondContact O-CB 3.03Å; R457-I460 PolarHBondContact O-N 2.73Å; R457-E461 VanDerWaalsContact CD-OE1 3.26Å; R457-E461 WeakPolarHBondContact CD-OE1 3.49Å; R457-E461 HydrophobicContact CG-CG 4.5Å; R457-E461 WeakPolarHBondContact CG-OE1 3.33Å; R457-E461 IonicContact CZ-OE1 2.67Å; R457-E461 IonicContact NE-OE1 3.91Å; R457-E461 IonicContact NH1-OE1 3.33Å; R457-E461 PolarHBondContact NH1-OE1 2.77Å; R457-E461 WeakPolarHBondContact O-CG 3.44Å; R457-E461 PolarHBondContact O-N 2.83Å |
| 458 | G | 83.6 | Confident | 84.1 | Confident | 34 Ų | 34 | 88.5 Ų | 88.5 | 35% | 0.351 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.8 | -30.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I454 A456 E462 | I454-G458 PolarHBondContact O-N 2.95Å; A456-G458 PolarHBondContact O-N 3.33Å; G458-E462 WeakPolarHBondContact O-CB 3.39Å; G458-E462 PolarHBondContact O-N 3.47Å |
| 459 | K | 84 | Confident | 84.4 | Confident | 130 Ų | 130 | 89.9 Ų | 89.9 | 57% | 0.565 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -74.8 | -34.1 | 172.8 | -66.7 | 171 | -175.3 | 171.9 | 0 | 112.4 | A455 A456 R457 Q463 | A455-K459 WeakPolarHBondContact O-CG 3.22Å; A456-K459 WeakPolarHBondContact O-CB 3.49Å; A456-K459 PolarHBondContact O-N 2.87Å; A456-K459 VanDerWaalsContact O-N 3.12Å; R457-K459 PolarHBondContact O-N 2.83Å; K459-Q463 WeakPolarHBondContact O-CB 3.47Å; K459-Q463 VanDerWaalsContact O-CG 3.26Å; K459-Q463 WeakPolarHBondContact O-CG 3.49Å; K459-Q463 PolarHBondContact O-N 3.02Å |
| 460 | I | 79.8 | Confident | 84.6 | Confident | 101 Ų | 101 | 92.8 Ų | 92.8 | 52% | 0.518 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70 | -41.2 | 175.7 | -64.5 | 167.7 | 0 | 0 | 0 | 109.6 | A456 R457 Q463 M464 | A456-I460 PolarHBondContact O-N 3.21Å; A456-I460 VanDerWaalsContact O-N 3.16Å; R457-I460 CarbonylContact O-C 3.55Å; R457-I460 WeakPolarHBondContact O-CA 3.36Å; R457-I460 WeakPolarHBondContact O-CB 3.03Å; R457-I460 PolarHBondContact O-N 2.73Å; I460-Q463 PolarHBondContact O-N 3.48Å; I460-M464 HydrophobicContact CG2-CG 4.35Å; I460-M464 WeakPolarHBondContact O-CB 3.28Å; I460-M464 WeakPolarHBondContact O-CG 3.4Å; I460-M464 PolarHBondContact O-N 3.17Å |
| 461 | E | 82.7 | Confident | 84.6 | Confident | 91 Ų | 91 | 95.8 Ų | 95.8 | 43% | 0.425 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 173.8 | -70.7 | 164.7 | -170.7 | 0 | 0 | 111.8 | R457 Q463 M464 E465 | R457-E461 VanDerWaalsContact CD-OE1 3.26Å; R457-E461 WeakPolarHBondContact CD-OE1 3.49Å; R457-E461 HydrophobicContact CG-CG 4.5Å; R457-E461 WeakPolarHBondContact CG-OE1 3.33Å; R457-E461 IonicContact CZ-OE1 2.67Å; R457-E461 IonicContact NE-OE1 3.91Å; R457-E461 IonicContact NH1-OE1 3.33Å; R457-E461 PolarHBondContact NH1-OE1 2.77Å; R457-E461 WeakPolarHBondContact O-CG 3.44Å; R457-E461 PolarHBondContact O-N 2.83Å; E461-Q463 VanDerWaalsContact C-N 3.33Å; E461-Q463 PolarHBondContact O-N 3.24Å; E461-M464 PolarHBondContact O-N 3.36Å; E461-E465 PolarHBondContact O-N 2.9Å |
| 462 | E | 87.2 | Confident | 84.8 | Confident | 124 Ų | 124 | 95.7 Ų | 95.7 | 58% | 0.579 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.1 | -41.2 | 173.8 | -175 | 177.9 | -160.9 | 0 | 0 | 111.8 | G458 I466 | G458-E462 WeakPolarHBondContact O-CB 3.39Å; G458-E462 PolarHBondContact O-N 3.47Å; E462-I466 HydrophobicContact CG-CD1 4.2Å; E462-I466 WeakPolarHBondContact O-CD1 3.35Å; E462-I466 VanDerWaalsContact O-CG1 3.23Å; E462-I466 WeakPolarHBondContact O-CG1 3.2Å; E462-I466 PolarHBondContact O-N 3.4Å; E462-I466 VanDerWaalsContact O-N 3.09Å |
| 463 | Q | 85.6 | Confident | 85.2 | Confident | 94 Ų | 94 | 91 Ų | 91 | 44% | 0.439 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68 | -39.1 | 175.6 | -75 | 177.5 | 9.8 | 0 | 0 | 112.9 | K459 I460 E461 I466 I467 | K459-Q463 WeakPolarHBondContact O-CB 3.47Å; K459-Q463 VanDerWaalsContact O-CG 3.26Å; K459-Q463 WeakPolarHBondContact O-CG 3.49Å; K459-Q463 PolarHBondContact O-N 3.02Å; I460-Q463 PolarHBondContact O-N 3.48Å; E461-Q463 VanDerWaalsContact C-N 3.33Å; E461-Q463 PolarHBondContact O-N 3.24Å; Q463-I466 PolarHBondContact O-N 3.38Å; Q463-I467 WeakPolarHBondContact O-CB 3.45Å; Q463-I467 WeakPolarHBondContact O-CD1 3.34Å; Q463-I467 VanDerWaalsContact O-CG1 3.25Å; Q463-I467 WeakPolarHBondContact O-CG1 3.04Å; Q463-I467 PolarHBondContact O-N 3.22Å |
| 464 | M | 84 | Confident | 85.4 | Confident | 107 Ų | 107 | 91.6 Ų | 91.6 | 53% | 0.527 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.5 | -50.3 | 173.7 | -72.6 | -99.5 | -65.7 | 0 | 0 | 110.7 | I460 E461 I466 I467 E468 | I460-M464 HydrophobicContact CG2-CG 4.35Å; I460-M464 WeakPolarHBondContact O-CB 3.28Å; I460-M464 WeakPolarHBondContact O-CG 3.4Å; I460-M464 PolarHBondContact O-N 3.17Å; E461-M464 PolarHBondContact O-N 3.36Å; M464-I466 VanDerWaalsContact C-N 3.26Å; M464-I466 PolarHBondContact O-N 3.46Å; M464-I467 CarbonylContact O-C 3.51Å; M464-I467 PolarHBondContact O-N 2.84Å; M464-E468 WeakPolarHBondContact O-CG 3.35Å; M464-E468 PolarHBondContact O-N 3.01Å |
| 465 | E | 89 | Confident | 85.8 | Confident | 106 Ų | 106 | 94 Ų | 94 | 50% | 0.495 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.3 | -31 | -179.1 | -156.1 | -139.3 | 170.3 | 0 | 0 | 112 | E461 R469 | E461-E465 PolarHBondContact O-N 2.9Å; E465-R469 WeakPolarHBondContact O-CB 3.48Å; E465-R469 PolarHBondContact O-N 3.41Å; E465-R469 PolarHBondContact O-NH1 2.83Å; E465-R469 VanDerWaalsContact O-NH1 3.12Å; E465-R469 IonicContact OE1-CZ 2.57Å; E465-R469 IonicContact OE1-NH2 2.67Å; E465-R469 PolarHBondContact OE1-NH2 3.08Å; E465-R469 IonicContact OE2-CZ 2.61Å; E465-R469 IonicContact OE2-NH1 3.78Å; E465-R469 IonicContact OE2-NH2 3.44Å; E465-R469 PolarHBondContact OE2-NH2 3.39Å |
| 466 | I | 88.3 | Confident | 86.3 | Confident | 76 Ų | 76 | 97.4 Ų | 97.4 | 39% | 0.39 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.5 | -48.5 | 169.6 | -69.8 | 165.2 | 0 | 0 | 0 | 111 | E462 Q463 M464 R469 D470 | E462-I466 HydrophobicContact CG-CD1 4.2Å; E462-I466 WeakPolarHBondContact O-CD1 3.35Å; E462-I466 VanDerWaalsContact O-CG1 3.23Å; E462-I466 WeakPolarHBondContact O-CG1 3.2Å; E462-I466 PolarHBondContact O-N 3.4Å; E462-I466 VanDerWaalsContact O-N 3.09Å; Q463-I466 PolarHBondContact O-N 3.38Å; M464-I466 VanDerWaalsContact C-N 3.26Å; M464-I466 PolarHBondContact O-N 3.46Å; I466-R469 PolarHBondContact O-N 3.42Å; I466-D470 PolarHBondContact O-N 2.9Å |
| 467 | I | 85.8 | Confident | 86.7 | Confident | 98 Ų | 98 | 99.7 Ų | 99.7 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | -179.3 | -71.3 | 164.7 | 0 | 0 | 0 | 111.8 | Q463 M464 D470 N471 | Q463-I467 WeakPolarHBondContact O-CB 3.45Å; Q463-I467 WeakPolarHBondContact O-CD1 3.34Å; Q463-I467 VanDerWaalsContact O-CG1 3.25Å; Q463-I467 WeakPolarHBondContact O-CG1 3.04Å; Q463-I467 PolarHBondContact O-N 3.22Å; M464-I467 CarbonylContact O-C 3.51Å; M464-I467 PolarHBondContact O-N 2.84Å; I467-D470 PolarHBondContact O-N 3.31Å; I467-N471 WeakPolarHBondContact CG2-ND2 3.41Å; I467-N471 VanDerWaalsContact O-CB 3.29Å; I467-N471 WeakPolarHBondContact O-CB 3.29Å; I467-N471 VanDerWaalsContact O-CG 3.23Å; I467-N471 PolarHBondContact O-N 2.92Å; I467-N471 PolarHBondContact O-ND2 2.86Å; I467-N471 VanDerWaalsContact O-ND2 3.11Å |
| 468 | E | 88.5 | Confident | 87.2 | Confident | 117 Ų | 117 | 99 Ų | 99 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 176.1 | -72.1 | -177.8 | 161.3 | 0 | 0 | 111.6 | M464 D470 N471 E472 | M464-E468 WeakPolarHBondContact O-CG 3.35Å; M464-E468 PolarHBondContact O-N 3.01Å; E468-D470 PolarHBondContact O-N 3.13Å; E468-N471 PolarHBondContact O-N 3.06Å; E468-E472 PolarHBondContact O-N 3.15Å |
| 469 | R | 89.7 | Confident | 87.5 | Confident | 124 Ų | 124 | 100.9 Ų | 100.9 | 47% | 0.468 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -39 | 177.1 | -168.8 | -174.2 | -64.1 | 116.2 | -20 | 112.4 | E465 I466 G473 | E465-R469 WeakPolarHBondContact O-CB 3.48Å; E465-R469 PolarHBondContact O-N 3.41Å; E465-R469 PolarHBondContact O-NH1 2.83Å; E465-R469 VanDerWaalsContact O-NH1 3.12Å; E465-R469 IonicContact OE1-CZ 2.57Å; E465-R469 IonicContact OE1-NH2 2.67Å; E465-R469 PolarHBondContact OE1-NH2 3.08Å; E465-R469 IonicContact OE2-CZ 2.61Å; E465-R469 IonicContact OE2-NH1 3.78Å; E465-R469 IonicContact OE2-NH2 3.44Å; E465-R469 PolarHBondContact OE2-NH2 3.39Å; I466-R469 PolarHBondContact O-N 3.42Å; R469-G473 PolarHBondContact O-N 2.8Å; R469-G473 VanDerWaalsContact O-N 3.12Å |
| 470 | D | 87.8 | Confident | 87.8 | Confident | 107 Ų | 107 | 100.4 Ų | 100.4 | 57% | 0.572 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.3 | -38.9 | 173.9 | -84.5 | -3.9 | 0 | 0 | 0 | 112.1 | I466 I467 E468 G473 L474 | I466-D470 PolarHBondContact O-N 2.9Å; I467-D470 PolarHBondContact O-N 3.31Å; E468-D470 PolarHBondContact O-N 3.13Å; D470-G473 WeakPolarHBondContact O-CA 3.39Å; D470-G473 PolarHBondContact O-N 2.04Å; D470-G473 VanDerWaalsContact O-N 3.15Å; D470-L474 WeakPolarHBondContact O-CG 3.36Å; D470-L474 PolarHBondContact O-N 2.79Å |
| 471 | N | 86.6 | Confident | 88.2 | Confident | 88 Ų | 88 | 99.4 Ų | 99.4 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 173.5 | -80.2 | -35.7 | 0 | 0 | 0 | 111.8 | I467 E468 G473 L474 E475 | I467-N471 WeakPolarHBondContact CG2-ND2 3.41Å; I467-N471 VanDerWaalsContact O-CB 3.29Å; I467-N471 WeakPolarHBondContact O-CB 3.29Å; I467-N471 VanDerWaalsContact O-CG 3.23Å; I467-N471 PolarHBondContact O-N 2.92Å; I467-N471 PolarHBondContact O-ND2 2.86Å; I467-N471 VanDerWaalsContact O-ND2 3.11Å; E468-N471 PolarHBondContact O-N 3.06Å; N471-G473 VanDerWaalsContact C-N 3.28Å; N471-G473 PolarHBondContact O-N 3.43Å; N471-L474 PolarHBondContact O-N 2.98Å; N471-E475 PolarHBondContact O-N 2.7Å |
| 472 | E | 90.5 | Very high | 88.5 | Confident | 112 Ų | 112 | 102.8 Ų | 102.8 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.6 | -41.3 | 171.5 | -83.5 | -156.4 | 177.4 | 0 | 0 | 111.9 | E468 E475 K476 | E468-E472 PolarHBondContact O-N 3.15Å; E472-E475 PolarHBondContact O-N 2.63Å; E472-K476 WeakPolarHBondContact O-CB 3.27Å; E472-K476 VanDerWaalsContact O-CD 3.23Å; E472-K476 WeakPolarHBondContact O-CD 3.36Å; E472-K476 WeakPolarHBondContact O-CG 3.46Å; E472-K476 PolarHBondContact O-N 3.34Å; E472-K476 IonicContact OE2-NZ 3.21Å; E472-K476 PolarHBondContact OE2-NZ 2.85Å |
| 473 | G | 91.8 | Very high | 88.4 | Confident | 37 Ų | 37 | 100.8 Ų | 100.8 | 38% | 0.381 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R469 D470 N471 K476 L477 | R469-G473 PolarHBondContact O-N 2.8Å; R469-G473 VanDerWaalsContact O-N 3.12Å; D470-G473 WeakPolarHBondContact O-CA 3.39Å; D470-G473 PolarHBondContact O-N 2.04Å; D470-G473 VanDerWaalsContact O-N 3.15Å; N471-G473 VanDerWaalsContact C-N 3.28Å; N471-G473 PolarHBondContact O-N 3.43Å; G473-K476 PolarHBondContact O-N 3.13Å; G473-L477 WeakPolarHBondContact O-CB 3.11Å; G473-L477 PolarHBondContact O-N 3.07Å; G473-L477 VanDerWaalsContact O-N 3.07Å |
| 474 | L | 86.8 | Confident | 88.5 | Confident | 107 Ų | 107 | 101.5 Ų | 101.5 | 56% | 0.56 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.1 | -42.7 | 176.1 | -70.9 | 171 | 0 | 0 | 0 | 112.2 | D470 N471 L477 V478 | D470-L474 WeakPolarHBondContact O-CG 3.36Å; D470-L474 PolarHBondContact O-N 2.79Å; N471-L474 PolarHBondContact O-N 2.98Å; L474-L477 PolarHBondContact O-N 2.84Å; L474-V478 WeakPolarHBondContact O-CB 3.45Å; L474-V478 VanDerWaalsContact O-CG2 3.3Å; L474-V478 WeakPolarHBondContact O-CG2 3.19Å; L474-V478 PolarHBondContact O-N 3.15Å |
| 475 | E | 89.2 | Confident | 88.4 | Confident | 134 Ų | 134 | 102.3 Ų | 102.3 | 63% | 0.626 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.6 | -44 | 175 | -74.8 | -142.9 | 143.8 | 0 | 0 | 112 | N471 E472 L477 V478 N479 | N471-E475 PolarHBondContact O-N 2.7Å; E472-E475 PolarHBondContact O-N 2.63Å; E475-L477 VanDerWaalsContact C-N 3.3Å; E475-L477 PolarHBondContact O-N 3.22Å; E475-V478 PolarHBondContact O-N 2.99Å; E475-N479 WeakPolarHBondContact O-CB 3.44Å; E475-N479 PolarHBondContact O-N 3.49Å; E475-N479 PolarHBondContact O-ND2 3.03Å |
| 476 | K | 91.9 | Very high | 88.1 | Confident | 128 Ų | 128 | 99.8 Ų | 99.8 | 56% | 0.557 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.8 | -42.2 | 176.7 | -71.1 | 159.8 | -164.8 | 168.6 | 0 | 110.8 | E472 G473 Q480 | E472-K476 WeakPolarHBondContact O-CB 3.27Å; E472-K476 VanDerWaalsContact O-CD 3.23Å; E472-K476 WeakPolarHBondContact O-CD 3.36Å; E472-K476 WeakPolarHBondContact O-CG 3.46Å; E472-K476 PolarHBondContact O-N 3.34Å; E472-K476 IonicContact OE2-NZ 3.21Å; E472-K476 PolarHBondContact OE2-NZ 2.85Å; G473-K476 PolarHBondContact O-N 3.13Å; K476-Q480 WeakPolarHBondContact O-CB 3.4Å; K476-Q480 PolarHBondContact O-N 2.95Å |
| 477 | L | 89.3 | Confident | 87.7 | Confident | 93 Ų | 93 | 99.1 Ų | 99.1 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.7 | -40.5 | 178.5 | -166.8 | 150.4 | 0 | 0 | 0 | 112.8 | G473 L474 E475 Q480 L481 | G473-L477 WeakPolarHBondContact O-CB 3.11Å; G473-L477 PolarHBondContact O-N 3.07Å; G473-L477 VanDerWaalsContact O-N 3.07Å; L474-L477 PolarHBondContact O-N 2.84Å; E475-L477 VanDerWaalsContact C-N 3.3Å; E475-L477 PolarHBondContact O-N 3.22Å; L477-Q480 PolarHBondContact O-N 3.47Å; L477-L481 HydrophobicContact CD2-CD1 3.71Å; L477-L481 HydrophobicContact CD2-CG 4.25Å; L477-L481 WeakPolarHBondContact O-CG 2.99Å; L477-L481 PolarHBondContact O-N 3.19Å |
| 478 | V | 88.7 | Confident | 87.3 | Confident | 70 Ų | 70 | 98.9 Ų | 98.9 | 42% | 0.424 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -42 | 174.7 | 166.7 | 0 | 0 | 0 | 0 | 111.1 | L474 E475 L481 R482 | L474-V478 WeakPolarHBondContact O-CB 3.45Å; L474-V478 VanDerWaalsContact O-CG2 3.3Å; L474-V478 WeakPolarHBondContact O-CG2 3.19Å; L474-V478 PolarHBondContact O-N 3.15Å; E475-V478 PolarHBondContact O-N 2.99Å; V478-L481 PolarHBondContact O-N 3.24Å; V478-R482 WeakPolarHBondContact O-CB 3.2Å; V478-R482 PolarHBondContact O-N 2.62Å |
| 479 | N | 90 | Very high | 86.4 | Confident | 74 Ų | 74 | 97.4 Ų | 97.4 | 40% | 0.396 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 175.3 | -74.3 | -48.2 | 0 | 0 | 0 | 111.5 | E475 L481 R482 S483 | E475-N479 WeakPolarHBondContact O-CB 3.44Å; E475-N479 PolarHBondContact O-N 3.49Å; E475-N479 PolarHBondContact O-ND2 3.03Å; N479-L481 PolarHBondContact O-N 2.73Å; N479-R482 PolarHBondContact O-N 3.48Å; N479-S483 PolarHBondContact O-N 2.68Å; N479-S483 PolarHBondContact O-OG 2.73Å |
| 480 | Q | 90.7 | Very high | 85.2 | Confident | 121 Ų | 121 | 98.4 Ų | 98.4 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.7 | -44 | 173.9 | -168.5 | 178.3 | 31 | 0 | 0 | 112.4 | K476 L477 S483 Q484 | K476-Q480 WeakPolarHBondContact O-CB 3.4Å; K476-Q480 PolarHBondContact O-N 2.95Å; L477-Q480 PolarHBondContact O-N 3.47Å; Q480-S483 PolarHBondContact O-N 3.27Å; Q480-Q484 WeakPolarHBondContact O-CG 3.4Å; Q480-Q484 PolarHBondContact O-N 3.43Å |
| 481 | L | 87.2 | Confident | 83.8 | Confident | 79 Ų | 79 | 98.9 Ų | 98.9 | 41% | 0.414 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 174.1 | -75.6 | 174 | 0 | 0 | 0 | 112.2 | L477 V478 N479 S483 Q484 M485 | L477-L481 HydrophobicContact CD2-CD1 3.71Å; L477-L481 HydrophobicContact CD2-CG 4.25Å; L477-L481 WeakPolarHBondContact O-CG 2.99Å; L477-L481 PolarHBondContact O-N 3.19Å; V478-L481 PolarHBondContact O-N 3.24Å; N479-L481 PolarHBondContact O-N 2.73Å; L481-S483 VanDerWaalsContact C-N 3.34Å; L481-S483 PolarHBondContact O-N 3.07Å; L481-Q484 PolarHBondContact O-N 3.44Å; L481-M485 WeakPolarHBondContact O-CG 3.29Å; L481-M485 PolarHBondContact O-N 2.87Å |
| 482 | R | 88.9 | Confident | 82.1 | Confident | 162 Ų | 162 | 105 Ų | 105 | 61% | 0.611 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.2 | -40.9 | 177.1 | -172.5 | -179 | -74.1 | 159.4 | -6.3 | 111.4 | V478 N479 M485 A486 | V478-R482 WeakPolarHBondContact O-CB 3.2Å; V478-R482 PolarHBondContact O-N 2.62Å; N479-R482 PolarHBondContact O-N 3.48Å; R482-M485 PolarHBondContact O-N 3.49Å; R482-A486 WeakPolarHBondContact O-CB 3.38Å; R482-A486 PolarHBondContact O-N 2.92Å |
| 483 | S | 87.2 | Confident | 80.2 | Confident | 82 Ų | 82 | 106.8 Ų | 106.8 | 57% | 0.573 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.9 | -40 | 172.9 | -63.8 | 0 | 0 | 0 | 0 | 112.8 | N479 Q480 L481 A487 | N479-S483 PolarHBondContact O-N 2.68Å; N479-S483 PolarHBondContact O-OG 2.73Å; Q480-S483 PolarHBondContact O-N 3.27Å; L481-S483 VanDerWaalsContact C-N 3.34Å; L481-S483 PolarHBondContact O-N 3.07Å; S483-A487 WeakPolarHBondContact O-CB 3.39Å; S483-A487 PolarHBondContact O-N 3.48Å |
| 484 | Q | 86.2 | Confident | 78 | Confident | 110 Ų | 110 | 113.9 Ų | 113.9 | 51% | 0.514 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.3 | -44.9 | 175.2 | -74.5 | 177.4 | 7.5 | 0 | 0 | 111.8 | Q480 L481 A486 A487 T488 | Q480-Q484 WeakPolarHBondContact O-CG 3.4Å; Q480-Q484 PolarHBondContact O-N 3.43Å; L481-Q484 PolarHBondContact O-N 3.44Å; Q484-A486 PolarHBondContact O-N 3.04Å; Q484-A487 PolarHBondContact O-N 2.96Å; Q484-T488 WeakPolarHBondContact O-CG2 3.41Å; Q484-T488 PolarHBondContact O-N 2.82Å; Q484-T488 PolarHBondContact O-OG1 3.1Å |
| 485 | M | 82.2 | Confident | 76.3 | Confident | 124 Ų | 124 | 117.5 Ų | 117.5 | 61% | 0.611 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -59.1 | -48.8 | 176.2 | -70.1 | -178.4 | -170.5 | 0 | 0 | 111.3 | L481 R482 A487 T488 T489 | L481-M485 WeakPolarHBondContact O-CG 3.29Å; L481-M485 PolarHBondContact O-N 2.87Å; R482-M485 PolarHBondContact O-N 3.49Å; M485-A487 VanDerWaalsContact C-N 3.3Å; M485-A487 PolarHBondContact O-N 2.89Å; M485-T488 PolarHBondContact O-N 3.26Å; M485-T488 PolarHBondContact O-OG1 2.82Å; M485-T489 PolarHBondContact O-N 3.38Å; M485-T489 PolarHBondContact O-OG1 2.92Å |
| 486 | A | 82.1 | Confident | 74 | Confident | 52 Ų | 52 | 118.1 Ų | 118.1 | 43% | 0.43 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -59.5 | -38.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | R482 Q484 T489 | R482-A486 WeakPolarHBondContact O-CB 3.38Å; R482-A486 PolarHBondContact O-N 2.92Å; Q484-A486 PolarHBondContact O-N 3.04Å; A486-T489 PolarHBondContact O-OG1 3.36Å; A486-T489 VanDerWaalsContact O-OG1 3.09Å |
| 487 | A | 80.5 | Confident | 71.7 | Confident | 63 Ų | 63 | 122.1 Ų | 122.1 | 52% | 0.521 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.9 | -37.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S483 Q484 M485 | S483-A487 WeakPolarHBondContact O-CB 3.39Å; S483-A487 PolarHBondContact O-N 3.48Å; Q484-A487 PolarHBondContact O-N 2.96Å; M485-A487 VanDerWaalsContact C-N 3.3Å; M485-A487 PolarHBondContact O-N 2.89Å |
| 488 | T | 77.1 | Confident | 69.4 | Low | 93 Ų | 93 | 123 Ų | 123 | 57% | 0.571 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -77.1 | -27 | 179.5 | 56.6 | 0 | 0 | 0 | 0 | 114.9 | Q484 M485 T491 | Q484-T488 WeakPolarHBondContact O-CG2 3.41Å; Q484-T488 PolarHBondContact O-N 2.82Å; Q484-T488 PolarHBondContact O-OG1 3.1Å; M485-T488 PolarHBondContact O-N 3.26Å; M485-T488 PolarHBondContact O-OG1 2.82Å; T488-T491 PolarHBondContact O-OG1 3.31Å |
| 489 | T | 69.9 | Low | 67.3 | Low | 86 Ų | 86 | 126.6 Ų | 126.6 | 53% | 0.528 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -74.3 | -36.9 | 178.5 | 43.3 | 0 | 0 | 0 | 0 | 112.6 | M485 A486 T491 | M485-T489 PolarHBondContact O-N 3.38Å; M485-T489 PolarHBondContact O-OG1 2.92Å; A486-T489 PolarHBondContact O-OG1 3.36Å; A486-T489 VanDerWaalsContact O-OG1 3.09Å; T489-T491 PolarHBondContact O-N 3.47Å; T489-T491 VanDerWaalsContact O-N 3.09Å |
| 490 | N | 63.9 | Low | 64.9 | Low | 144 Ų | 144 | 128.7 Ų | 128.7 | 77% | 0.77 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -3.4 | -176.9 | -73.2 | 7.2 | 0 | 0 | 0 | 114.4 | ||
| 491 | T | 58.3 | Low | 62.8 | Low | 118 Ų | 118 | 128.8 Ų | 128.8 | 72% | 0.724 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | 16.1 | -175 | 52.6 | 0 | 0 | 0 | 0 | 114.5 | T488 T489 | T488-T491 PolarHBondContact O-OG1 3.31Å; T489-T491 PolarHBondContact O-N 3.47Å; T489-T491 VanDerWaalsContact O-N 3.09Å |
| 492 | R | 52.1 | Low | 60.6 | Low | 217 Ų | 217 | 132.9 Ų | 132.9 | 82% | 0.819 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -120.7 | -23.4 | -172.4 | -164.3 | 163.7 | -176.8 | 130.7 | 4.4 | 117.2 | ||
| 493 | D | 51 | Low | 58.3 | Low | 149 Ų | 149 | 131.1 Ų | 131.1 | 80% | 0.797 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -99.5 | -0.8 | -166.3 | -65.7 | -18.2 | 0 | 0 | 0 | 115.4 | H495 | D493-H495 PolarHBondContact O-N 3.07Š|
| 494 | E | 45.6 | Very low | 56 | Low | 186 Ų | 186 | 133.3 Ų | 133.3 | 87% | 0.869 | 70% | 0.703 | S | S | * | * | trans | -87.7 | 69.6 | 173.4 | -68.8 | -162.2 | 150.5 | 0 | 0 | 113 | ||||
| 495 | H | 49.9 | Very low | 53.6 | Low | 183 Ų | 183 | 133 Ų | 133 | 85% | 0.847 | 71% | 0.714 | S | S | * | * | trans | -161.8 | 78 | 154 | -103.9 | -57.8 | 0 | 0 | 0 | 114.9 | D493 | D493-H495 PolarHBondContact O-N 3.07Š| ||
| 496 | H | 41.3 | Very low | 51.5 | Low | 147 Ų | 147 | 131.8 Ų | 131.8 | 68% | 0.681 | 72% | 0.717 | S | S | * | * | 45 | 107.5 | 127.1 | -165.4 | 27.3 | 0 | 0 | 0 | 119.7 | D498 | H496-D498 IonicContact CE1-OD2 2.76Å; H496-D498 PolarHBondContact CE1-OD2 3.3Å; H496-D498 IonicContact ND1-OD2 3.53Å; H496-D498 PolarHBondContact ND1-OD2 3.4Å | |||
| 497 | F | 43.7 | Very low | 49.3 | Very low | 212 Ų | 212 | 136.3 Ų | 136.3 | 93% | 0.93 | 73% | 0.734 | S | S | * | * | trans | -154 | 124.5 | 137.4 | -119.8 | -73.6 | 0 | 0 | 0 | 111.5 | ||||
| 498 | D | 41.6 | Very low | 47.5 | Very low | 111 Ų | 111 | 142 Ų | 142 | 59% | 0.594 | 75% | 0.752 | S | S | * | * | trans | -82.3 | 148.1 | 176.9 | -67.4 | -84.3 | 0 | 0 | 0 | 112.7 | H496 | H496-D498 IonicContact CE1-OD2 2.76Å; H496-D498 PolarHBondContact CE1-OD2 3.3Å; H496-D498 IonicContact ND1-OD2 3.53Å; H496-D498 PolarHBondContact ND1-OD2 3.4Å | ||
| 499 | N | 44.7 | Very low | 45.6 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | 171.7 | 126.6 | 116.4 | -90.6 | -68.5 | 0 | 0 | 0 | 112.7 | |||||
| 500 | T | 38.8 | Very low | 44.3 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | 28.4 | 139.6 | 129.6 | 17.1 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 501 | V | 46.6 | Very low | 43 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | cis | -145.2 | 164.4 | 28.1 | -175.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 502 | E | 41.1 | Very low | 42.1 | Very low | 165 Ų | 165 | 141 Ų | 141 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | trans | -52.4 | 161.7 | 168.3 | -55.9 | 147.9 | 125 | 0 | 0 | 113.5 | ||||
| 503 | T | 41.4 | Very low | 41.5 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | -168.7 | 155.1 | 61.3 | 25.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 504 | T | 38.2 | Very low | 41.4 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -9 | 157.9 | 144.9 | 56.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 505 | S | 35.7 | Very low | 40.9 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | -173.1 | 156.1 | 12.3 | 133.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 506 | S | 38.4 | Very low | 40.4 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | trans | 41.9 | 131.1 | 143.6 | -155.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 507 | D | 36.7 | Very low | 40.2 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | 7.9 | 134.7 | 146 | -53.4 | -13.3 | 0 | 0 | 0 | 121.8 | ||||
| 508 | M | 42.8 | Very low | 40.9 | Very low | 182 Ų | 182 | 125.9 Ų | 125.9 | 90% | 0.897 | 75% | 0.752 | S | S | * | * | -173.1 | 169.8 | 103.2 | -95 | -153.8 | 79.9 | 0 | 0 | 112.9 | |||||
| 509 | A | 36.5 | Very low | 41.3 | Very low | 81 Ų | 81 | 125.5 Ų | 125.5 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | trans | -102.5 | -172.8 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 510 | I | 41.7 | Very low | 41.2 | Very low | 151 Ų | 151 | 125.1 Ų | 125.1 | 77% | 0.774 | 75% | 0.754 | S | S | * | * | trans | 94 | 112.9 | 158.4 | -59.6 | 161.1 | 0 | 0 | 0 | 118.2 | ||||
| 511 | A | 38.1 | Very low | 41.3 | Very low | 86 Ų | 86 | 127.9 Ų | 127.9 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | trans | 58.5 | 162.7 | 143.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 512 | S | 37.6 | Very low | 41.7 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -171.7 | 153 | -31.2 | -90 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 513 | S | 40.9 | Very low | 41.7 | Very low | 114 Ų | 114 | 124.3 Ų | 124.3 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | 75.5 | 169 | 154.3 | 88.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 514 | P | 48.9 | Very low | 41.4 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | -145.2 | -168.9 | -105.9 | 35.8 | -10.6 | 0 | 0 | 0 | 117.2 | |||||
| 515 | T | 34.9 | Very low | 41.4 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | trans | 82 | 124.3 | 149.8 | -47.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 516 | V | 38.8 | Very low | 41.4 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | 179.4 | 161.1 | 122.6 | 152.2 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 517 | Q | 37.9 | Very low | 41.1 | Very low | 180 Ų | 180 | 126.6 Ų | 126.6 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | trans | -109.7 | 175.6 | -163.5 | -106.8 | -174.8 | -39 | 0 | 0 | 114.5 | ||||
| 518 | P | 57.2 | Low | 41 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | trans | -86.5 | -166.3 | -169.6 | 39.6 | -39.9 | 0 | 0 | 0 | 113.6 | ||||
| 519 | P | 50.4 | Low | 40.6 | Very low | 103 Ų | 103 | 124.5 Ų | 124.5 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | -156.5 | -174.2 | 91.8 | 45.6 | -26.5 | 0 | 0 | 0 | 118.1 | |||||
| 520 | D | 42.4 | Very low | 40.5 | Very low | 138 Ų | 138 | 124.8 Ų | 124.8 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | 69.9 | 108.8 | 150.4 | -53.4 | -26.8 | 0 | 0 | 0 | 125.2 | ||||
| 521 | E | 42.1 | Very low | 40.3 | Very low | 176 Ų | 176 | 126.2 Ų | 126.2 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | 31.9 | 168.3 | 105.2 | -74.7 | -150.2 | 142 | 0 | 0 | 123.5 | |||||
| 522 | P | 53.6 | Low | 40.3 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | cis | -141 | -179.5 | -44.1 | 41 | -24.4 | 0 | 0 | 0 | 113.5 | ||||
| 523 | A | 40.7 | Very low | 40.2 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 88% | 0.876 | 75% | 0.751 | S | S | * | * | trans | -175.5 | 160.3 | 147.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 524 | D | 36.9 | Very low | 40 | Very low | 148 Ų | 148 | 130 Ų | 130 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -137.4 | -178 | -172.5 | -176.2 | 28 | 0 | 0 | 0 | 111.7 | ||||
| 525 | L | 37.8 | Very low | 39.4 | Very low | 130 Ų | 130 | 131 Ų | 131 | 68% | 0.681 | 76% | 0.755 | S | S | * | * | trans | 108.4 | 112.4 | 155.6 | -57.4 | 173.8 | 0 | 0 | 0 | 119.2 | ||||
| 526 | T | 35.2 | Very low | 39.9 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | trans | 65.6 | 157.5 | 133.9 | 60.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 527 | S | 33.2 | Very low | 40 | Very low | 92 Ų | 92 | 132.8 Ų | 132.8 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | cis | -166.1 | 170.4 | -27.3 | -169.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 528 | D | 34 | Very low | 40.1 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | 71.1 | 130.1 | 152.2 | -77 | -72.6 | 0 | 0 | 0 | 123.7 | ||||
| 529 | Q | 34.4 | Very low | 39.4 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | 71.7 | 97.8 | 133.4 | -68.3 | 171.5 | 55.2 | 0 | 0 | 122.7 | ||||
| 530 | A | 34.7 | Very low | 38.9 | Very low | 88 Ų | 88 | 137.4 Ų | 137.4 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | 70.9 | 123 | 107.5 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 531 | K | 37 | Very low | 38.9 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 79% | 0.787 | 77% | 0.765 | S | S | * | * | trans | 86.1 | 136.2 | 135.4 | -81.8 | -174.9 | 166.5 | -154.1 | 0 | 122.7 | ||||
| 532 | D | 36.8 | Very low | 38.8 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | trans | 68.3 | 102.1 | 140.1 | -56.1 | -20.3 | 0 | 0 | 0 | 122.1 | ||||
| 533 | A | 35.8 | Very low | 38.2 | Very low | 93 Ų | 93 | 141.6 Ų | 141.6 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | 92.2 | 144.7 | 121 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 534 | M | 38 | Very low | 38.1 | Very low | 162 Ų | 162 | 143.2 Ų | 143.2 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | trans | 64.1 | 118.4 | 168.5 | -58.4 | -174 | 73.2 | 0 | 0 | 116.9 | ||||
| 535 | T | 36.3 | Very low | 38.8 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | cis | 86.2 | 148.2 | 49.8 | -56.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 536 | I | 44.7 | Very low | 39.3 | Very low | 128 Ų | 128 | 147.9 Ų | 147.9 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | trans | 89.6 | 89.7 | -178 | -53.6 | 178.2 | 0 | 0 | 0 | 112.8 | ||||
| 537 | E | 40.7 | Very low | 40.2 | Very low | 177 Ų | 177 | 149.4 Ų | 149.4 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | 84.6 | 158.3 | 101 | -73.6 | 174.8 | 178.6 | 0 | 0 | 113.3 | |||||
| 538 | E | 40.3 | Very low | 41.6 | Very low | 174 Ų | 174 | 149.2 Ų | 149.2 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | cis | -138.3 | 179.2 | 16 | -118.4 | -139.1 | 116.3 | 0 | 0 | 111.5 | ||||
| 539 | P | 43 | Very low | 43.4 | Very low | 102 Ų | 102 | 147.6 Ų | 147.6 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | trans | -107.4 | 168.4 | -151.1 | 40.9 | -38.6 | 0 | 0 | 0 | 117.9 | ||||
| 540 | K | 39.6 | Very low | 45.2 | Very low | 211 Ų | 211 | 144.4 Ų | 144.4 | 92% | 0.917 | 76% | 0.757 | S | S | * | * | trans | -149 | 143.4 | 153 | -113.6 | 157.7 | -169.7 | 166.3 | 0 | 113.3 | ||||
| 541 | K | 41.6 | Very low | 47 | Very low | 211 Ų | 211 | 143.1 Ų | 143.1 | 92% | 0.917 | 75% | 0.746 | S | S | * | * | trans | -61.8 | 135.6 | -169.6 | -57.3 | 167.8 | -179.9 | 176.8 | 0 | 113.5 | ||||
| 542 | E | 40.1 | Very low | 48.6 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 90% | 0.902 | 74% | 0.735 | S | S | * | * | trans | -140.4 | 160.1 | 157.5 | -120 | 165.2 | -157.2 | 0 | 0 | 110.4 | ||||
| 543 | S | 41.8 | Very low | 50.6 | Low | 105 Ų | 105 | 139.8 Ų | 139.8 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | -82 | 128.5 | -160.7 | 53.8 | 0 | 0 | 0 | 0 | 114.3 | F545 | S543-F545 PolarHBondContact O-N 2.93Š| ||
| 544 | T | 39.1 | Very low | 52.6 | Low | 140 Ų | 140 | 138.5 Ų | 138.5 | 86% | 0.859 | 72% | 0.718 | S | S | * | * | trans | -66.5 | 91.7 | 174.3 | -47.2 | 0 | 0 | 0 | 0 | 111.9 | Q546 | T544-Q546 PolarHBondContact O-N 3.34Š| ||
| 545 | F | 50.7 | Low | 54.6 | Low | 195 Ų | 195 | 138.4 Ų | 138.4 | 86% | 0.855 | 71% | 0.709 | S | S | * | * | trans | -76.1 | 117.5 | 166.7 | -139.5 | -90.3 | 0 | 0 | 0 | 108.7 | S543 F547 | S543-F545 PolarHBondContact O-N 2.93Å; F545-F547 PolarHBondContact O-N 3.02Å; F545-F547 VanDerWaalsContact O-N 3.12Å | ||
| 546 | Q | 48.9 | Very low | 56.8 | Low | 181 Ų | 181 | 136.9 Ų | 136.9 | 85% | 0.846 | 69% | 0.693 | S | S | * | * | trans | -78.3 | 102 | -173.7 | -153.2 | 170.4 | 15.1 | 0 | 0 | 109.7 | T544 D548 | T544-Q546 PolarHBondContact O-N 3.34Å; Q546-D548 PolarHBondContact O-N 2.68Å | ||
| 547 | F | 53.9 | Low | 58.7 | Low | 163 Ų | 163 | 136.9 Ų | 136.9 | 72% | 0.715 | 69% | 0.688 | S | S | * | * | trans | -70.6 | 114.3 | -179.7 | -167.1 | -86 | 0 | 0 | 0 | 109.9 | F545 P549 | F545-F547 PolarHBondContact O-N 3.02Å; F545-F547 VanDerWaalsContact O-N 3.12Å; F547-P549 VanDerWaalsContact O-CD 3.26Å; F547-P549 WeakPolarHBondContact O-CD 3.25Å | ||
| 548 | D | 62.9 | Low | 60.7 | Low | 88 Ų | 88 | 135.6 Ų | 135.6 | 47% | 0.471 | 68% | 0.677 | S | S | . | * | trans | -86.7 | 107.7 | 176.8 | 177.1 | 17.9 | 0 | 0 | 0 | 110.6 | Q546 T550 A551 | Q546-D548 PolarHBondContact O-N 2.68Å; D548-T550 PolarHBondContact O-N 2.88Å; D548-T550 WeakPolarHBondContact OD1-CB 3.22Å; D548-T550 PolarHBondContact OD1-N 3.34Å; D548-T550 PolarHBondContact OD1-OG1 3.23Å; D548-A551 PolarHBondContact O-N 2.87Å | ||
| 549 | P | 70.4 | Confident | 62.9 | Low | 86 Ų | 86 | 131 Ų | 131 | 56% | 0.558 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65.7 | -20.9 | 178.3 | 29.2 | -35.8 | 0 | 0 | 0 | 112.7 | F547 A551 W552 V553 | F547-P549 VanDerWaalsContact O-CD 3.26Å; F547-P549 WeakPolarHBondContact O-CD 3.25Å; P549-A551 VanDerWaalsContact C-N 3.28Å; P549-A551 PolarHBondContact O-N 2.88Å; P549-W552 PolarHBondContact O-N 3.46Å; P549-V553 PolarHBondContact O-N 2.91Å |
| 550 | T | 73.3 | Confident | 65.1 | Low | 99 Ų | 99 | 131.3 Ų | 131.3 | 61% | 0.607 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.7 | -34.4 | -179.7 | -32.1 | 0 | 0 | 0 | 0 | 111.6 | D548 W552 A554 | D548-T550 PolarHBondContact O-N 2.88Å; D548-T550 WeakPolarHBondContact OD1-CB 3.22Å; D548-T550 PolarHBondContact OD1-N 3.34Å; D548-T550 PolarHBondContact OD1-OG1 3.23Å; T550-W552 VanDerWaalsContact C-N 3.33Å; T550-W552 PolarHBondContact O-N 2.89Å; T550-A554 PolarHBondContact O-N 3.41Å |
| 551 | A | 71.3 | Confident | 67.3 | Low | 60 Ų | 60 | 125.8 Ų | 125.8 | 50% | 0.496 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -69.5 | -27.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | D548 P549 R555 | D548-A551 PolarHBondContact O-N 2.87Å; P549-A551 VanDerWaalsContact C-N 3.28Å; P549-A551 PolarHBondContact O-N 2.88Å; A551-R555 PolarHBondContact O-N 2.8Å |
| 552 | W | 71.6 | Confident | 69.5 | Low | 151 Ų | 151 | 122.1 Ų | 122.1 | 57% | 0.572 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -74.3 | -47 | -179.4 | -160.2 | 83.5 | 0 | 0 | 0 | 111.4 | P549 T550 A554 R555 E556 | P549-W552 PolarHBondContact O-N 3.46Å; T550-W552 VanDerWaalsContact C-N 3.33Å; T550-W552 PolarHBondContact O-N 2.89Å; W552-A554 VanDerWaalsContact C-N 3.27Å; W552-A554 PolarHBondContact O-N 3.33Å; W552-R555 WeakPolarHBondContact O-CB 3.42Å; W552-R555 PolarHBondContact O-N 2.75Å; W552-E556 WeakPolarHBondContact CZ3-OE2 3.41Å; W552-E556 PolarHBondContact O-N 3.42Å |
| 553 | V | 77.9 | Confident | 71.9 | Confident | 89 Ų | 89 | 117.9 Ų | 117.9 | 54% | 0.539 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.7 | -35.7 | 176 | -179.4 | 0 | 0 | 0 | 0 | 111.9 | P549 R555 K557 | P549-V553 PolarHBondContact O-N 2.91Å; V553-R555 VanDerWaalsContact C-N 3.29Å; V553-R555 PolarHBondContact O-N 2.9Å; V553-K557 WeakPolarHBondContact O-CB 3.38Å; V553-K557 PolarHBondContact O-N 3.26Å |
| 554 | A | 77.5 | Confident | 74.1 | Confident | 67 Ų | 67 | 118.2 Ų | 118.2 | 55% | 0.554 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.8 | -31.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T550 W552 Y558 | T550-A554 PolarHBondContact O-N 3.41Å; W552-A554 VanDerWaalsContact C-N 3.27Å; W552-A554 PolarHBondContact O-N 3.33Å; A554-Y558 PolarHBondContact O-N 2.69Å |
| 555 | R | 80.5 | Confident | 76.5 | Confident | 159 Ų | 159 | 118 Ų | 118 | 60% | 0.6 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -78.7 | -47.4 | 178.2 | -179.2 | 177.5 | 176.1 | 160.8 | 2.7 | 112.2 | A551 W552 V553 K557 Y558 E559 | A551-R555 PolarHBondContact O-N 2.8Å; W552-R555 WeakPolarHBondContact O-CB 3.42Å; W552-R555 PolarHBondContact O-N 2.75Å; V553-R555 VanDerWaalsContact C-N 3.29Å; V553-R555 PolarHBondContact O-N 2.9Å; R555-K557 VanDerWaalsContact C-N 3.29Å; R555-K557 PolarHBondContact O-N 2.77Å; R555-Y558 WeakPolarHBondContact O-CA 3.28Å; R555-Y558 WeakPolarHBondContact O-CB 3.3Å; R555-Y558 PolarHBondContact O-N 2.87Å; R555-E559 IonicContact CZ-OE1 3.2Å; R555-E559 IonicContact NE-OE1 2.94Å; R555-E559 PolarHBondContact NE-OE1 3.43Å; R555-E559 IonicContact NH2-OE1 2.66Å; R555-E559 PolarHBondContact NH2-OE1 2.73Å; R555-E559 PolarHBondContact O-N 3.44Å |
| 556 | E | 82.2 | Confident | 78.3 | Confident | 95 Ų | 95 | 114.1 Ų | 114.1 | 44% | 0.444 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -53.1 | -49.2 | 176.2 | -174.5 | 171.9 | -135.3 | 0 | 0 | 110.3 | W552 Y558 E559 E560 | W552-E556 WeakPolarHBondContact CZ3-OE2 3.41Å; W552-E556 PolarHBondContact O-N 3.42Å; E556-Y558 VanDerWaalsContact C-N 3.31Å; E556-Y558 PolarHBondContact O-N 2.89Å; E556-E559 PolarHBondContact O-N 3.48Å; E556-E559 VanDerWaalsContact O-N 3.13Å; E556-E560 PolarHBondContact O-N 3.29Å |
| 557 | K | 84.5 | Confident | 80.2 | Confident | 129 Ų | 129 | 109.3 Ų | 109.3 | 56% | 0.561 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.1 | -26.9 | 175.7 | -169.9 | 172.6 | -177.4 | 178.3 | 0 | 114.8 | V553 R555 L561 | V553-K557 WeakPolarHBondContact O-CB 3.38Å; V553-K557 PolarHBondContact O-N 3.26Å; R555-K557 VanDerWaalsContact C-N 3.29Å; R555-K557 PolarHBondContact O-N 2.77Å; K557-L561 WeakPolarHBondContact O-CB 3.37Å; K557-L561 VanDerWaalsContact O-CG 3.28Å; K557-L561 WeakPolarHBondContact O-CG 3.13Å; K557-L561 PolarHBondContact O-N 3.27Å; K557-L561 VanDerWaalsContact O-N 3.12Å |
| 558 | Y | 83.6 | Confident | 81.9 | Confident | 150 Ų | 150 | 107 Ų | 107 | 59% | 0.588 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -75.5 | -36.3 | 173.4 | -177.8 | -93.3 | 0 | 0 | 0 | 111.4 | A554 R555 E556 R562 | A554-Y558 PolarHBondContact O-N 2.69Å; R555-Y558 WeakPolarHBondContact O-CA 3.28Å; R555-Y558 WeakPolarHBondContact O-CB 3.3Å; R555-Y558 PolarHBondContact O-N 2.87Å; E556-Y558 VanDerWaalsContact C-N 3.31Å; E556-Y558 PolarHBondContact O-N 2.89Å; Y558-R562 VanDerWaalsContact O-CB 3.32Å; Y558-R562 WeakPolarHBondContact O-CB 3.36Å; Y558-R562 PolarHBondContact O-N 2.94Å |
| 559 | E | 87.4 | Confident | 83.1 | Confident | 78 Ų | 78 | 106.6 Ų | 106.6 | 36% | 0.364 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.6 | -42 | 174.3 | -69.7 | 171.6 | -175.9 | 0 | 0 | 110 | R555 E556 L561 R562 D563 | R555-E559 IonicContact CZ-OE1 3.2Å; R555-E559 IonicContact NE-OE1 2.94Å; R555-E559 PolarHBondContact NE-OE1 3.43Å; R555-E559 IonicContact NH2-OE1 2.66Å; R555-E559 PolarHBondContact NH2-OE1 2.73Å; R555-E559 PolarHBondContact O-N 3.44Å; E556-E559 PolarHBondContact O-N 3.48Å; E556-E559 VanDerWaalsContact O-N 3.13Å; E559-L561 PolarHBondContact O-N 2.91Å; E559-R562 WeakPolarHBondContact O-CB 3.41Å; E559-R562 PolarHBondContact O-N 2.93Å; E559-R562 VanDerWaalsContact O-N 3.15Å; E559-D563 PolarHBondContact O-N 3.4Å |
| 560 | E | 88.6 | Confident | 84.1 | Confident | 108 Ų | 108 | 105.1 Ų | 105.1 | 51% | 0.505 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -53.8 | -49.8 | 168.4 | -72 | -175.6 | 144.5 | 0 | 0 | 113.2 | E556 R562 D563 Q564 | E556-E560 PolarHBondContact O-N 3.29Å; E560-R562 VanDerWaalsContact C-N 3.27Å; E560-R562 PolarHBondContact O-N 3.04Å; E560-D563 PolarHBondContact O-N 3.41Å; E560-Q564 WeakPolarHBondContact O-CB 3.4Å; E560-Q564 WeakPolarHBondContact O-CG 3.43Å; E560-Q564 PolarHBondContact O-N 3.22Å |
| 561 | L | 86.1 | Confident | 84.8 | Confident | 94 Ų | 94 | 102.5 Ų | 102.5 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67 | -29.3 | 179.9 | -77.2 | 170.1 | 0 | 0 | 0 | 112.4 | K557 E559 K565 | K557-L561 WeakPolarHBondContact O-CB 3.37Å; K557-L561 VanDerWaalsContact O-CG 3.28Å; K557-L561 WeakPolarHBondContact O-CG 3.13Å; K557-L561 PolarHBondContact O-N 3.27Å; K557-L561 VanDerWaalsContact O-N 3.12Å; E559-L561 PolarHBondContact O-N 2.91Å; L561-K565 WeakPolarHBondContact O-CB 3.4Å; L561-K565 PolarHBondContact O-N 3.26Å |
| 562 | R | 87.1 | Confident | 85.5 | Confident | 134 Ų | 134 | 103.8 Ų | 103.8 | 51% | 0.506 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.2 | -44.1 | 174.6 | -167.7 | -176.2 | -163.5 | 149.7 | 6 | 110.8 | Y558 E559 E560 K565 H566 | Y558-R562 VanDerWaalsContact O-CB 3.32Å; Y558-R562 WeakPolarHBondContact O-CB 3.36Å; Y558-R562 PolarHBondContact O-N 2.94Å; E559-R562 WeakPolarHBondContact O-CB 3.41Å; E559-R562 PolarHBondContact O-N 2.93Å; E559-R562 VanDerWaalsContact O-N 3.15Å; E560-R562 VanDerWaalsContact C-N 3.27Å; E560-R562 PolarHBondContact O-N 3.04Å; R562-K565 WeakPolarHBondContact O-CB 3.43Å; R562-K565 PolarHBondContact O-N 2.93Å; R562-H566 PolarHBondContact O-CD2 3.45Å; R562-H566 PolarHBondContact O-N 2.99Å |
| 563 | D | 90.2 | Very high | 86.5 | Confident | 105 Ų | 105 | 100.2 Ų | 100.2 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.7 | -37.2 | -179.6 | -68.3 | -9.8 | 0 | 0 | 0 | 111.5 | E559 E560 K565 H566 S567 | E559-D563 PolarHBondContact O-N 3.4Å; E560-D563 PolarHBondContact O-N 3.41Å; D563-K565 VanDerWaalsContact C-N 3.32Å; D563-K565 PolarHBondContact O-N 2.97Å; D563-H566 PolarHBondContact O-N 2.75Å; D563-S567 WeakPolarHBondContact O-CB 3.39Å; D563-S567 PolarHBondContact O-N 3.43Å |
| 564 | Q | 89.1 | Confident | 87 | Confident | 111 Ų | 111 | 99.9 Ų | 99.9 | 52% | 0.519 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59 | -41.8 | 167.3 | -73.5 | 176 | 17.5 | 0 | 0 | 111.8 | E560 S567 L568 | E560-Q564 WeakPolarHBondContact O-CB 3.4Å; E560-Q564 WeakPolarHBondContact O-CG 3.43Å; E560-Q564 PolarHBondContact O-N 3.22Å; Q564-S567 PolarHBondContact O-N 2.88Å; Q564-L568 WeakPolarHBondContact O-CB 3.28Å; Q564-L568 WeakPolarHBondContact O-CG 3.47Å; Q564-L568 PolarHBondContact O-N 2.88Å |
| 565 | K | 89.5 | Confident | 87.5 | Confident | 137 Ų | 137 | 101.2 Ų | 101.2 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.8 | -39 | 174.8 | -179.5 | 175.7 | 178.8 | 175.8 | 0 | 112.5 | L561 R562 D563 N569 | L561-K565 WeakPolarHBondContact O-CB 3.4Å; L561-K565 PolarHBondContact O-N 3.26Å; R562-K565 WeakPolarHBondContact O-CB 3.43Å; R562-K565 PolarHBondContact O-N 2.93Å; D563-K565 VanDerWaalsContact C-N 3.32Å; D563-K565 PolarHBondContact O-N 2.97Å; K565-N569 VanDerWaalsContact O-CB 3.3Å; K565-N569 WeakPolarHBondContact O-CB 3.24Å; K565-N569 VanDerWaalsContact O-CG 3.3Å; K565-N569 PolarHBondContact O-N 3.16Å |
| 566 | H | 88.8 | Confident | 87.9 | Confident | 113 Ų | 113 | 102 Ų | 102 | 52% | 0.523 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 175 | -78.1 | -67.3 | 0 | 0 | 0 | 111.8 | R562 D563 N569 A570 | R562-H566 PolarHBondContact O-CD2 3.45Å; R562-H566 PolarHBondContact O-N 2.99Å; D563-H566 PolarHBondContact O-N 2.75Å; H566-N569 PolarHBondContact O-N 3.3Å; H566-A570 WeakPolarHBondContact O-CB 3.4Å; H566-A570 PolarHBondContact O-N 2.91Å |
| 567 | S | 88.5 | Confident | 88.3 | Confident | 79 Ų | 79 | 99.2 Ų | 99.2 | 55% | 0.552 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.6 | -48.9 | 174 | -177.6 | 0 | 0 | 0 | 0 | 112.3 | D563 Q564 N569 A570 A571 | D563-S567 WeakPolarHBondContact O-CB 3.39Å; D563-S567 PolarHBondContact O-N 3.43Å; Q564-S567 PolarHBondContact O-N 2.88Å; S567-N569 PolarHBondContact O-N 2.98Å; S567-A570 PolarHBondContact O-N 3.44Å; S567-A571 PolarHBondContact O-N 2.79Å |
| 568 | L | 88.8 | Confident | 88.5 | Confident | 116 Ų | 116 | 96 Ų | 96 | 61% | 0.607 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.8 | -38.9 | 176.3 | -72.5 | 170.4 | 0 | 0 | 0 | 112.6 | Q564 A571 L572 | Q564-L568 WeakPolarHBondContact O-CB 3.28Å; Q564-L568 WeakPolarHBondContact O-CG 3.47Å; Q564-L568 PolarHBondContact O-N 2.88Å; L568-A571 PolarHBondContact O-N 2.95Å; L568-L572 WeakPolarHBondContact O-CB 3.25Å; L568-L572 WeakPolarHBondContact O-CG 3.37Å; L568-L572 PolarHBondContact O-N 2.93Å |
| 569 | N | 88.9 | Confident | 88.7 | Confident | 78 Ų | 78 | 93.7 Ų | 93.7 | 42% | 0.417 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 173.9 | -81.6 | -10.7 | 0 | 0 | 0 | 112 | K565 H566 S567 L572 V573 | K565-N569 VanDerWaalsContact O-CB 3.3Å; K565-N569 WeakPolarHBondContact O-CB 3.24Å; K565-N569 VanDerWaalsContact O-CG 3.3Å; K565-N569 PolarHBondContact O-N 3.16Å; H566-N569 PolarHBondContact O-N 3.3Å; S567-N569 PolarHBondContact O-N 2.98Å; N569-L572 PolarHBondContact O-N 3.08Å; N569-V573 WeakPolarHBondContact O-CG2 3.23Å; N569-V573 PolarHBondContact O-N 2.98Å |
| 570 | A | 89.7 | Confident | 88.7 | Confident | 55 Ų | 55 | 92.5 Ų | 92.5 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | H566 S567 L572 V573 L574 | H566-A570 WeakPolarHBondContact O-CB 3.4Å; H566-A570 PolarHBondContact O-N 2.91Å; S567-A570 PolarHBondContact O-N 3.44Å; A570-L572 VanDerWaalsContact C-N 3.35Å; A570-L572 PolarHBondContact O-N 3.05Å; A570-V573 PolarHBondContact O-N 3.33Å; A570-V573 VanDerWaalsContact O-N 3.17Å; A570-L574 WeakPolarHBondContact O-CG 3.31Å; A570-L574 PolarHBondContact O-N 3.39Å |
| 571 | A | 89 | Confident | 88.7 | Confident | 44 Ų | 44 | 89.5 Ų | 89.5 | 36% | 0.364 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.3 | -42.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | S567 L568 V573 L574 L575 | S567-A571 PolarHBondContact O-N 2.79Å; L568-A571 PolarHBondContact O-N 2.95Å; A571-V573 PolarHBondContact O-N 2.98Å; A571-L574 PolarHBondContact O-N 2.98Å; A571-L575 WeakPolarHBondContact O-CB 3.39Å; A571-L575 WeakPolarHBondContact O-CG 3.24Å; A571-L575 PolarHBondContact O-N 3.18Å |
| 572 | L | 86.7 | Confident | 88.7 | Confident | 87 Ų | 87 | 90.5 Ų | 90.5 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.8 | -35.6 | 175.7 | -75 | 171.1 | 0 | 0 | 0 | 113.2 | L568 N569 A570 R576 | L568-L572 WeakPolarHBondContact O-CB 3.25Å; L568-L572 WeakPolarHBondContact O-CG 3.37Å; L568-L572 PolarHBondContact O-N 2.93Å; N569-L572 PolarHBondContact O-N 3.08Å; A570-L572 VanDerWaalsContact C-N 3.35Å; A570-L572 PolarHBondContact O-N 3.05Å; L572-R576 WeakPolarHBondContact O-CB 3.34Å; L572-R576 VanDerWaalsContact O-CG 3.29Å; L572-R576 WeakPolarHBondContact O-CG 3.19Å; L572-R576 PolarHBondContact O-N 3.02Å |
| 573 | V | 91.1 | Very high | 88.8 | Confident | 77 Ų | 77 | 90 Ų | 90 | 47% | 0.467 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.7 | -42 | 172.9 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | N569 A570 A571 R576 G577 | N569-V573 WeakPolarHBondContact O-CG2 3.23Å; N569-V573 PolarHBondContact O-N 2.98Å; A570-V573 PolarHBondContact O-N 3.33Å; A570-V573 VanDerWaalsContact O-N 3.17Å; A571-V573 PolarHBondContact O-N 2.98Å; V573-R576 PolarHBondContact O-N 3.43Å; V573-G577 PolarHBondContact O-N 3.34Å |
| 574 | L | 88.6 | Confident | 88.8 | Confident | 81 Ų | 81 | 91.2 Ų | 91.2 | 42% | 0.424 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 177 | -66.5 | -172.7 | 0 | 0 | 0 | 112.8 | A570 A571 G577 Q578 K1145 | A570-L574 WeakPolarHBondContact O-CG 3.31Å; A570-L574 PolarHBondContact O-N 3.39Å; A571-L574 PolarHBondContact O-N 2.98Å; L574-G577 PolarHBondContact O-N 3.48Å; L574-Q578 WeakPolarHBondContact O-CG 3.36Å; L574-Q578 PolarHBondContact O-N 2.98Å; L574-K1145 HydrophobicContact CD2-CD 3.59Å |
| 575 | L | 87.9 | Confident | 88.7 | Confident | 95 Ų | 95 | 89.5 Ų | 89.5 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 175.5 | -74.2 | 168.7 | 0 | 0 | 0 | 112 | A571 G577 Q578 L579 | A571-L575 WeakPolarHBondContact O-CB 3.39Å; A571-L575 WeakPolarHBondContact O-CG 3.24Å; A571-L575 PolarHBondContact O-N 3.18Å; L575-G577 VanDerWaalsContact C-N 3.34Å; L575-Q578 PolarHBondContact O-N 3.39Å; L575-L579 WeakPolarHBondContact O-CG 3.47Å; L575-L579 PolarHBondContact O-N 2.92Å |
| 576 | R | 90.2 | Very high | 88.6 | Confident | 175 Ų | 175 | 88.3 Ų | 88.3 | 66% | 0.66 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.2 | -38 | 174.1 | -76.9 | 173.4 | 176.3 | 169.5 | -0.9 | 112.5 | L572 V573 Q578 L579 A580 | L572-R576 WeakPolarHBondContact O-CB 3.34Å; L572-R576 VanDerWaalsContact O-CG 3.29Å; L572-R576 WeakPolarHBondContact O-CG 3.19Å; L572-R576 PolarHBondContact O-N 3.02Å; V573-R576 PolarHBondContact O-N 3.43Å; R576-Q578 VanDerWaalsContact C-N 3.35Å; R576-L579 PolarHBondContact O-N 3.4Å; R576-A580 PolarHBondContact O-N 2.91Å |
| 577 | G | 89.6 | Confident | 88.6 | Confident | 38 Ų | 38 | 86.1 Ų | 86.1 | 39% | 0.392 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V573 L574 L575 E581 | V573-G577 PolarHBondContact O-N 3.34Å; L574-G577 PolarHBondContact O-N 3.48Å; L575-G577 VanDerWaalsContact C-N 3.34Å; G577-E581 VanDerWaalsContact O-CB 3.28Å; G577-E581 WeakPolarHBondContact O-CB 3.42Å; G577-E581 PolarHBondContact O-N 2.94Å |
| 578 | Q | 89.6 | Confident | 88.6 | Confident | 62 Ų | 62 | 84.6 Ų | 84.6 | 29% | 0.29 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.5 | -35.8 | 177 | -74.9 | 170.1 | -35.9 | 0 | 0 | 113.1 | L574 L575 R576 E581 L582 M1149 | L574-Q578 WeakPolarHBondContact O-CG 3.36Å; L574-Q578 PolarHBondContact O-N 2.98Å; L575-Q578 PolarHBondContact O-N 3.39Å; R576-Q578 VanDerWaalsContact C-N 3.35Å; Q578-E581 PolarHBondContact O-N 3.32Å; Q578-L582 WeakPolarHBondContact O-CB 3.4Å; Q578-L582 VanDerWaalsContact O-CG 3.27Å; Q578-L582 WeakPolarHBondContact O-CG 3.49Å; Q578-L582 PolarHBondContact O-N 3.27Å; Q578-M1149 HydrophobicContact CG-CE 4.48Å; Q578-M1149 HydrophobicContact CG-SD 4.28Å; Q578-M1149 PolarHBondContact NE2-SD 2.87Å |
| 579 | L | 86.9 | Confident | 88.5 | Confident | 100 Ų | 100 | 85.6 Ų | 85.6 | 52% | 0.524 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.6 | -50.5 | 174.1 | -74.1 | 170.5 | 0 | 0 | 0 | 111.7 | L575 R576 E581 L582 E583 | L575-L579 WeakPolarHBondContact O-CG 3.47Å; L575-L579 PolarHBondContact O-N 2.92Å; R576-L579 PolarHBondContact O-N 3.4Å; L579-E581 PolarHBondContact O-N 2.65Å; L579-L582 PolarHBondContact O-N 3.42Å; L579-E583 WeakPolarHBondContact O-CB 3.39Å; L579-E583 WeakPolarHBondContact O-CG 3.15Å; L579-E583 PolarHBondContact O-N 3.13Å |
| 580 | A | 89 | Confident | 88.3 | Confident | 54 Ų | 54 | 86.9 Ų | 86.9 | 45% | 0.446 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.7 | -31.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R576 K584 | R576-A580 PolarHBondContact O-N 2.91Å; A580-K584 WeakPolarHBondContact O-CB 3.38Å; A580-K584 PolarHBondContact O-N 2.38Å |
| 581 | E | 87.7 | Confident | 88.3 | Confident | 44 Ų | 44 | 90.1 Ų | 90.1 | 21% | 0.206 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -74.5 | -35.3 | 174.9 | -167.4 | 146.1 | -100.4 | 0 | 0 | 112.5 | G577 Q578 L579 N585 R1146 | G577-E581 VanDerWaalsContact O-CB 3.28Å; G577-E581 WeakPolarHBondContact O-CB 3.42Å; G577-E581 PolarHBondContact O-N 2.94Å; Q578-E581 PolarHBondContact O-N 3.32Å; L579-E581 PolarHBondContact O-N 2.65Å; E581-N585 VanDerWaalsContact O-CB 3.28Å; E581-N585 WeakPolarHBondContact O-CB 3.46Å; E581-N585 PolarHBondContact O-N 2.82Å; E581-N585 PolarHBondContact O-ND2 2.78Å; E581-R1146 IonicContact OE1-CZ 2.71Å; E581-R1146 IonicContact OE1-NE 2.64Å; E581-R1146 PolarHBondContact OE1-NE 3.12Å; E581-R1146 IonicContact OE1-NH2 3.64Å; E581-R1146 PolarHBondContact OE1-NH2 3.36Å |
| 582 | L | 85.8 | Confident | 88.2 | Confident | 115 Ų | 115 | 94.7 Ų | 94.7 | 60% | 0.602 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -70.4 | -42.2 | 171.6 | -73.8 | 168.6 | 0 | 0 | 0 | 112.1 | Q578 L579 N585 Q586 | Q578-L582 WeakPolarHBondContact O-CB 3.4Å; Q578-L582 VanDerWaalsContact O-CG 3.27Å; Q578-L582 WeakPolarHBondContact O-CG 3.49Å; Q578-L582 PolarHBondContact O-N 3.27Å; L579-L582 PolarHBondContact O-N 3.42Å; L582-N585 CarbonylContact O-C 3.52Å; L582-N585 PolarHBondContact O-N 3.08Å; L582-Q586 WeakPolarHBondContact O-CB 3.39Å; L582-Q586 PolarHBondContact O-N 3.45Å |
| 583 | E | 88.5 | Confident | 88 | Confident | 124 Ų | 124 | 95.4 Ų | 95.4 | 58% | 0.579 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.1 | -47.3 | 173.6 | -72.9 | 164.8 | -174.2 | 0 | 0 | 111 | L579 Q586 S587 | L579-E583 WeakPolarHBondContact O-CB 3.39Å; L579-E583 WeakPolarHBondContact O-CG 3.15Å; L579-E583 PolarHBondContact O-N 3.13Å; E583-Q586 WeakPolarHBondContact O-CB 3.25Å; E583-Q586 PolarHBondContact O-N 3.43Å; E583-S587 PolarHBondContact O-N 2.49Å |
| 584 | K | 90.9 | Very high | 87.9 | Confident | 130 Ų | 130 | 99.9 Ų | 99.9 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.5 | -47.9 | 173.4 | -168 | -159.3 | 169.9 | -158.1 | 0 | 111.6 | A580 Q586 S587 D588 | A580-K584 WeakPolarHBondContact O-CB 3.38Å; A580-K584 PolarHBondContact O-N 2.38Å; K584-Q586 PolarHBondContact O-N 2.7Å; K584-S587 PolarHBondContact O-N 3.19Å; K584-D588 WeakPolarHBondContact CE-OD2 3.35Å; K584-D588 IonicContact NZ-OD2 2.63Å; K584-D588 WeakPolarHBondContact O-CB 3.46Å; K584-D588 PolarHBondContact O-N 3.3Å |
| 585 | N | 86.7 | Confident | 87.8 | Confident | 75 Ų | 75 | 101.4 Ų | 101.4 | 40% | 0.401 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -21.3 | 178.2 | -82.9 | -59.4 | 0 | 0 | 0 | 113.5 | E581 L582 K589 | E581-N585 VanDerWaalsContact O-CB 3.28Å; E581-N585 WeakPolarHBondContact O-CB 3.46Å; E581-N585 PolarHBondContact O-N 2.82Å; E581-N585 PolarHBondContact O-ND2 2.78Å; L582-N585 CarbonylContact O-C 3.52Å; L582-N585 PolarHBondContact O-N 3.08Å; N585-K589 VanDerWaalsContact O-CD 3.26Å; N585-K589 WeakPolarHBondContact O-CD 3.47Å; N585-K589 WeakPolarHBondContact O-CG 3.46Å; N585-K589 PolarHBondContact O-N 3.03Å |
| 586 | Q | 87.8 | Confident | 87.7 | Confident | 113 Ų | 113 | 102.1 Ų | 102.1 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -76.7 | -51 | 170.1 | 177.1 | 172.3 | -19.1 | 0 | 0 | 110.6 | L582 E583 K584 D588 K589 E590 | L582-Q586 WeakPolarHBondContact O-CB 3.39Å; L582-Q586 PolarHBondContact O-N 3.45Å; E583-Q586 WeakPolarHBondContact O-CB 3.25Å; E583-Q586 PolarHBondContact O-N 3.43Å; K584-Q586 PolarHBondContact O-N 2.7Å; Q586-D588 VanDerWaalsContact C-N 3.32Å; Q586-D588 PolarHBondContact O-N 3.46Å; Q586-K589 CarbonylContact O-C 3.59Å; Q586-K589 WeakPolarHBondContact O-CA 3.26Å; Q586-K589 WeakPolarHBondContact O-CB 3.35Å; Q586-K589 PolarHBondContact O-N 3.38Å; Q586-E590 HydrophobicContact CG-CG 4.35Å; Q586-E590 WeakPolarHBondContact CG-OE1 3.49Å; Q586-E590 PolarHBondContact NE2-OE1 3.17Å; Q586-E590 WeakPolarHBondContact O-CG 3.48Å; Q586-E590 PolarHBondContact O-N 3.15Å |
| 587 | S | 89 | Confident | 87.6 | Confident | 66 Ų | 66 | 98.5 Ų | 98.5 | 46% | 0.462 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -53.9 | -47.2 | 174.1 | -177.4 | 0 | 0 | 0 | 0 | 112 | E583 K584 K589 E590 E591 | E583-S587 PolarHBondContact O-N 2.49Å; K584-S587 PolarHBondContact O-N 3.19Å; S587-K589 PolarHBondContact O-N 2.91Å; S587-K589 VanDerWaalsContact O-N 3.17Å; S587-E590 PolarHBondContact O-N 2.97Å; S587-E591 PolarHBondContact O-N 3.42Å |
| 588 | D | 87.9 | Confident | 87.4 | Confident | 47 Ų | 47 | 100.2 Ų | 100.2 | 25% | 0.251 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65 | -16.2 | 177.4 | -72 | 4.8 | 0 | 0 | 0 | 113 | K584 Q586 K592 | K584-D588 WeakPolarHBondContact CE-OD2 3.35Å; K584-D588 IonicContact NZ-OD2 2.63Å; K584-D588 WeakPolarHBondContact O-CB 3.46Å; K584-D588 PolarHBondContact O-N 3.3Å; Q586-D588 VanDerWaalsContact C-N 3.32Å; Q586-D588 PolarHBondContact O-N 3.46Å; D588-K592 VanDerWaalsContact O-CD 3.3Å; D588-K592 WeakPolarHBondContact O-CD 3.36Å; D588-K592 WeakPolarHBondContact O-CG 3.33Å; D588-K592 PolarHBondContact O-NZ 3.4Å |
| 589 | K | 86.2 | Confident | 87 | Confident | 137 Ų | 137 | 102.3 Ų | 102.3 | 60% | 0.596 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -94.4 | -38.3 | 173.1 | -77.3 | 170.8 | -172 | 173.9 | 0 | 112 | N585 Q586 S587 K592 L593 | N585-K589 VanDerWaalsContact O-CD 3.26Å; N585-K589 WeakPolarHBondContact O-CD 3.47Å; N585-K589 WeakPolarHBondContact O-CG 3.46Å; N585-K589 PolarHBondContact O-N 3.03Å; Q586-K589 CarbonylContact O-C 3.59Å; Q586-K589 WeakPolarHBondContact O-CA 3.26Å; Q586-K589 WeakPolarHBondContact O-CB 3.35Å; Q586-K589 PolarHBondContact O-N 3.38Å; S587-K589 PolarHBondContact O-N 2.91Å; S587-K589 VanDerWaalsContact O-N 3.17Å; K589-K592 PolarHBondContact O-N 2.96Å; K589-L593 WeakPolarHBondContact O-CB 3.16Å; K589-L593 WeakPolarHBondContact O-CG 3.4Å; K589-L593 PolarHBondContact O-N 2.88Å |
| 590 | E | 86.6 | Confident | 86.7 | Confident | 106 Ų | 106 | 100.6 Ų | 100.6 | 50% | 0.495 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 175.8 | -72.8 | 173.1 | -172.8 | 0 | 0 | 111.2 | Q586 S587 L593 R594 | Q586-E590 HydrophobicContact CG-CG 4.35Å; Q586-E590 WeakPolarHBondContact CG-OE1 3.49Å; Q586-E590 PolarHBondContact NE2-OE1 3.17Å; Q586-E590 WeakPolarHBondContact O-CG 3.48Å; Q586-E590 PolarHBondContact O-N 3.15Å; S587-E590 PolarHBondContact O-N 2.97Å; E590-L593 PolarHBondContact O-N 3.05Å; E590-R594 WeakPolarHBondContact O-CB 3.41Å; E590-R594 PolarHBondContact O-N 2.89Å |
| 591 | E | 87.8 | Confident | 86.5 | Confident | 123 Ų | 123 | 103.4 Ų | 103.4 | 58% | 0.575 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.9 | -43.6 | 171.4 | -178.3 | 169.8 | -153.8 | 0 | 0 | 111.7 | S587 L593 R594 L595 | S587-E591 PolarHBondContact O-N 3.42Å; E591-L593 PolarHBondContact O-N 3.28Å; E591-R594 PolarHBondContact O-N 2.97Å; E591-L595 HydrophobicContact CG-CD1 3.79Å; E591-L595 PolarHBondContact O-N 2.92Å |
| 592 | K | 87 | Confident | 86.3 | Confident | 139 Ų | 139 | 106 Ų | 106 | 60% | 0.604 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.6 | -36.6 | 177.1 | -71.3 | 179.8 | -170.8 | 98.4 | 0 | 112.8 | D588 K589 K596 | D588-K592 VanDerWaalsContact O-CD 3.3Å; D588-K592 WeakPolarHBondContact O-CD 3.36Å; D588-K592 WeakPolarHBondContact O-CG 3.33Å; D588-K592 PolarHBondContact O-NZ 3.4Å; K589-K592 PolarHBondContact O-N 2.96Å; K592-K596 WeakPolarHBondContact O-CB 3.45Å; K592-K596 PolarHBondContact O-N 2.91Å |
| 593 | L | 83.4 | Confident | 86.1 | Confident | 102 Ų | 102 | 104.4 Ų | 104.4 | 53% | 0.534 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.7 | -46.4 | 173.1 | -77.4 | 168.6 | 0 | 0 | 0 | 110.8 | K589 E590 E591 L595 K596 E597 | K589-L593 WeakPolarHBondContact O-CB 3.16Å; K589-L593 WeakPolarHBondContact O-CG 3.4Å; K589-L593 PolarHBondContact O-N 2.88Å; E590-L593 PolarHBondContact O-N 3.05Å; E591-L593 PolarHBondContact O-N 3.28Å; L593-L595 PolarHBondContact O-N 3.36Å; L593-K596 CarbonylContact O-C 3.59Å; L593-K596 WeakPolarHBondContact O-CA 3.37Å; L593-K596 WeakPolarHBondContact O-CB 3.27Å; L593-K596 PolarHBondContact O-N 3.05Å; L593-K596 VanDerWaalsContact O-N 3.1Å; L593-E597 PolarHBondContact O-N 3.21Å |
| 594 | R | 89.2 | Confident | 85.8 | Confident | 172 Ų | 172 | 104.1 Ų | 104.1 | 65% | 0.649 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.4 | -44.5 | 176.2 | -178.7 | 177.7 | 174.1 | 171.3 | -0.7 | 112.7 | E590 E591 K596 E597 D598 | E590-R594 WeakPolarHBondContact O-CB 3.41Å; E590-R594 PolarHBondContact O-N 2.89Å; E591-R594 PolarHBondContact O-N 2.97Å; R594-K596 VanDerWaalsContact C-N 3.32Å; R594-K596 PolarHBondContact O-N 3.36Å; R594-E597 PolarHBondContact O-N 3.36Å; R594-D598 PolarHBondContact O-N 2.96Å |
| 595 | L | 85.9 | Confident | 85.5 | Confident | 113 Ų | 113 | 104.8 Ų | 104.8 | 59% | 0.592 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.9 | -38.1 | 173.4 | -96.2 | 129.6 | 0 | 0 | 0 | 112.4 | E591 L593 M599 | E591-L595 HydrophobicContact CG-CD1 3.79Å; E591-L595 PolarHBondContact O-N 2.92Å; L593-L595 PolarHBondContact O-N 3.36Å; L595-M599 VanDerWaalsContact O-CB 3.3Å; L595-M599 WeakPolarHBondContact O-CB 3.49Å; L595-M599 PolarHBondContact O-N 2.96Å |
| 596 | K | 87.1 | Confident | 85.4 | Confident | 110 Ų | 110 | 106.3 Ų | 106.3 | 48% | 0.478 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.3 | -39.6 | 174.4 | -172.1 | -177 | 177.4 | -172.1 | 0 | 111.8 | K592 L593 R594 N600 | K592-K596 WeakPolarHBondContact O-CB 3.45Å; K592-K596 PolarHBondContact O-N 2.91Å; L593-K596 CarbonylContact O-C 3.59Å; L593-K596 WeakPolarHBondContact O-CA 3.37Å; L593-K596 WeakPolarHBondContact O-CB 3.27Å; L593-K596 PolarHBondContact O-N 3.05Å; L593-K596 VanDerWaalsContact O-N 3.1Å; R594-K596 VanDerWaalsContact C-N 3.32Å; R594-K596 PolarHBondContact O-N 3.36Å; K596-N600 WeakPolarHBondContact O-CB 3.37Å; K596-N600 VanDerWaalsContact O-CG 3.28Å; K596-N600 PolarHBondContact O-N 3.47Å; K596-N600 PolarHBondContact O-OD1 3.35Å |
| 597 | E | 86.9 | Confident | 85 | Confident | 98 Ų | 98 | 105.5 Ų | 105.5 | 46% | 0.458 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 174.3 | -76.3 | -178 | -157.9 | 0 | 0 | 112.4 | L593 R594 M599 N600 R601 | L593-E597 PolarHBondContact O-N 3.21Å; R594-E597 PolarHBondContact O-N 3.36Å; E597-M599 VanDerWaalsContact C-N 3.33Å; E597-M599 PolarHBondContact O-N 3.05Å; E597-N600 WeakPolarHBondContact O-CB 3.08Å; E597-N600 PolarHBondContact O-N 3.04Å; E597-R601 WeakPolarHBondContact O-CB 3.36Å; E597-R601 VanDerWaalsContact O-CG 3.29Å; E597-R601 WeakPolarHBondContact O-CG 3.48Å; E597-R601 PolarHBondContact O-N 2.95Å; E597-R601 IonicContact OE2-CZ 3.73Å; E597-R601 IonicContact OE2-NH1 3.46Å; E597-R601 IonicContact OE2-NH2 2.65Å; E597-R601 PolarHBondContact OE2-NH2 2.99Å |
| 598 | D | 85.6 | Confident | 84.7 | Confident | 75 Ų | 75 | 107.4 Ų | 107.4 | 40% | 0.401 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.6 | -32.4 | 178.8 | -75.3 | -28.6 | 0 | 0 | 0 | 111.9 | R594 R601 L602 | R594-D598 PolarHBondContact O-N 2.96Å; D598-R601 IonicContact OD1-CZ 3.67Å; D598-R601 IonicContact OD1-NH1 3.08Å; D598-R601 PolarHBondContact OD1-NH1 3.05Å; D598-L602 WeakPolarHBondContact O-CB 3.4Å; D598-L602 PolarHBondContact O-N 2.83Å |
| 599 | M | 81 | Confident | 84.3 | Confident | 106 Ų | 106 | 107.7 Ų | 107.7 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 168.1 | -174.6 | -178.2 | 70 | 0 | 0 | 112 | L595 E597 L602 L603 | L595-M599 VanDerWaalsContact O-CB 3.3Å; L595-M599 WeakPolarHBondContact O-CB 3.49Å; L595-M599 PolarHBondContact O-N 2.96Å; E597-M599 VanDerWaalsContact C-N 3.33Å; E597-M599 PolarHBondContact O-N 3.05Å; M599-L602 WeakPolarHBondContact O-CB 3.44Å; M599-L602 PolarHBondContact O-N 2.95Å; M599-L603 HydrophobicContact CG-CD1 4.3Å; M599-L603 WeakPolarHBondContact O-CG 3.32Å; M599-L603 PolarHBondContact O-N 3.45Å |
| 600 | N | 80.8 | Confident | 84.2 | Confident | 63 Ų | 63 | 106.9 Ų | 106.9 | 34% | 0.337 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 175.5 | -78.5 | 1.1 | 0 | 0 | 0 | 111.4 | K596 E597 L602 L603 E604 | K596-N600 WeakPolarHBondContact O-CB 3.37Å; K596-N600 VanDerWaalsContact O-CG 3.28Å; K596-N600 PolarHBondContact O-N 3.47Å; K596-N600 PolarHBondContact O-OD1 3.35Å; E597-N600 WeakPolarHBondContact O-CB 3.08Å; E597-N600 PolarHBondContact O-N 3.04Å; N600-L602 VanDerWaalsContact C-N 3.26Å; N600-L602 PolarHBondContact O-N 3.3Å; N600-L603 PolarHBondContact O-N 3.36Å; N600-E604 WeakPolarHBondContact O-CB 3.24Å; N600-E604 PolarHBondContact O-N 3.42Å |
| 601 | R | 85 | Confident | 84 | Confident | 113 Ų | 113 | 106.8 Ų | 106.8 | 43% | 0.426 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -34.3 | 174 | -71.3 | 168.5 | -176.5 | 138.7 | 12.2 | 112.1 | E597 D598 K605 | E597-R601 WeakPolarHBondContact O-CB 3.36Å; E597-R601 VanDerWaalsContact O-CG 3.29Å; E597-R601 WeakPolarHBondContact O-CG 3.48Å; E597-R601 PolarHBondContact O-N 2.95Å; E597-R601 IonicContact OE2-CZ 3.73Å; E597-R601 IonicContact OE2-NH1 3.46Å; E597-R601 IonicContact OE2-NH2 2.65Å; E597-R601 PolarHBondContact OE2-NH2 2.99Å; D598-R601 IonicContact OD1-CZ 3.67Å; D598-R601 IonicContact OD1-NH1 3.08Å; D598-R601 PolarHBondContact OD1-NH1 3.05Å; R601-K605 WeakPolarHBondContact O-CB 3.47Å; R601-K605 WeakPolarHBondContact O-CD 3.4Å; R601-K605 WeakPolarHBondContact O-CG 3.05Å; R601-K605 PolarHBondContact O-N 3.42Å; R601-K605 VanDerWaalsContact O-N 3.1Å |
| 602 | L | 82.6 | Confident | 83.7 | Confident | 99 Ų | 99 | 102.2 Ų | 102.2 | 52% | 0.518 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.5 | -43.6 | 175.1 | -177 | 62.3 | 0 | 0 | 0 | 111.7 | D598 M599 N600 K605 Q606 | D598-L602 WeakPolarHBondContact O-CB 3.4Å; D598-L602 PolarHBondContact O-N 2.83Å; M599-L602 WeakPolarHBondContact O-CB 3.44Å; M599-L602 PolarHBondContact O-N 2.95Å; N600-L602 VanDerWaalsContact C-N 3.26Å; N600-L602 PolarHBondContact O-N 3.3Å; L602-K605 PolarHBondContact O-N 3.39Å; L602-Q606 WeakPolarHBondContact O-CG 3.37Å; L602-Q606 PolarHBondContact O-N 2.94Å |
| 603 | L | 81.5 | Confident | 83.5 | Confident | 82 Ų | 82 | 100.2 Ų | 100.2 | 43% | 0.429 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 175.6 | -72.2 | 168.9 | 0 | 0 | 0 | 111.9 | M599 N600 Q606 L607 | M599-L603 HydrophobicContact CG-CD1 4.3Å; M599-L603 WeakPolarHBondContact O-CG 3.32Å; M599-L603 PolarHBondContact O-N 3.45Å; N600-L603 PolarHBondContact O-N 3.36Å; L603-Q606 PolarHBondContact O-N 3.27Å; L603-L607 WeakPolarHBondContact O-CB 3.49Å; L603-L607 WeakPolarHBondContact O-CG 3.35Å; L603-L607 PolarHBondContact O-N 2.81Å |
| 604 | E | 83.6 | Confident | 83.2 | Confident | 118 Ų | 118 | 100.1 Ų | 100.1 | 55% | 0.551 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.1 | -45.3 | 174.8 | -175.6 | 177.2 | -148.4 | 0 | 0 | 111.5 | N600 Q606 L607 L608 | N600-E604 WeakPolarHBondContact O-CB 3.24Å; N600-E604 PolarHBondContact O-N 3.42Å; E604-Q606 VanDerWaalsContact C-N 3.31Å; E604-Q606 PolarHBondContact O-N 2.92Å; E604-L607 PolarHBondContact O-N 3.34Å; E604-L608 HydrophobicContact CG-CD1 4.18Å; E604-L608 WeakPolarHBondContact O-CB 3.38Å; E604-L608 WeakPolarHBondContact O-CG 3.34Å; E604-L608 PolarHBondContact O-N 3.39Å |
| 605 | K | 84.9 | Confident | 82.9 | Confident | 143 Ų | 143 | 96.3 Ų | 96.3 | 62% | 0.622 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.9 | -38 | 173.2 | -75.9 | 169.8 | -176.9 | 175.9 | 0 | 112.5 | R601 L602 A609 | R601-K605 WeakPolarHBondContact O-CB 3.47Å; R601-K605 WeakPolarHBondContact O-CD 3.4Å; R601-K605 WeakPolarHBondContact O-CG 3.05Å; R601-K605 PolarHBondContact O-N 3.42Å; R601-K605 VanDerWaalsContact O-N 3.1Å; L602-K605 PolarHBondContact O-N 3.39Å; K605-A609 VanDerWaalsContact O-CB 3.29Å; K605-A609 WeakPolarHBondContact O-CB 3.49Å; K605-A609 PolarHBondContact O-N 3.14Å |
| 606 | Q | 83.2 | Confident | 82.8 | Confident | 108 Ų | 108 | 93.8 Ų | 93.8 | 51% | 0.505 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69 | -40.2 | 174.5 | -73.3 | -178.5 | 21.2 | 0 | 0 | 112.2 | L602 L603 E604 A609 K610 | L602-Q606 WeakPolarHBondContact O-CG 3.37Å; L602-Q606 PolarHBondContact O-N 2.94Å; L603-Q606 PolarHBondContact O-N 3.27Å; E604-Q606 VanDerWaalsContact C-N 3.31Å; E604-Q606 PolarHBondContact O-N 2.92Å; Q606-A609 PolarHBondContact O-N 2.88Å; Q606-K610 WeakPolarHBondContact O-CB 3.32Å; Q606-K610 VanDerWaalsContact O-CG 3.27Å; Q606-K610 WeakPolarHBondContact O-CG 3.29Å; Q606-K610 PolarHBondContact O-N 2.54Å |
| 607 | L | 79.5 | Confident | 82.5 | Confident | 95 Ų | 95 | 90.8 Ų | 90.8 | 50% | 0.497 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 176 | -75.9 | 169.6 | 0 | 0 | 0 | 111.8 | L603 E604 A609 K610 Q611 L789 | L603-L607 WeakPolarHBondContact O-CB 3.49Å; L603-L607 WeakPolarHBondContact O-CG 3.35Å; L603-L607 PolarHBondContact O-N 2.81Å; E604-L607 PolarHBondContact O-N 3.34Å; L607-A609 PolarHBondContact O-N 2.92Å; L607-K610 PolarHBondContact O-N 2.83Å; L607-Q611 WeakPolarHBondContact O-CB 3.45Å; L607-Q611 PolarHBondContact O-N 2.9Å; L607-L789 HydrophobicContact CD2-CD1 3.98Å |
| 608 | L | 82.6 | Confident | 82.2 | Confident | 106 Ų | 106 | 90.8 Ų | 90.8 | 56% | 0.555 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.1 | -39 | 175 | -71.2 | 170 | 0 | 0 | 0 | 112 | E604 Q611 G612 | E604-L608 HydrophobicContact CG-CD1 4.18Å; E604-L608 WeakPolarHBondContact O-CB 3.38Å; E604-L608 WeakPolarHBondContact O-CG 3.34Å; E604-L608 PolarHBondContact O-N 3.39Å; L608-Q611 PolarHBondContact O-N 2.82Å; L608-G612 PolarHBondContact O-N 3.46Å |
| 609 | A | 80.4 | Confident | 82.2 | Confident | 53 Ų | 53 | 92.5 Ų | 92.5 | 44% | 0.438 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K605 Q606 L607 G612 E613 | K605-A609 VanDerWaalsContact O-CB 3.29Å; K605-A609 WeakPolarHBondContact O-CB 3.49Å; K605-A609 PolarHBondContact O-N 3.14Å; Q606-A609 PolarHBondContact O-N 2.88Å; L607-A609 PolarHBondContact O-N 2.92Å; A609-G612 PolarHBondContact O-N 2.78Å; A609-E613 WeakPolarHBondContact O-CG 3.4Å; A609-E613 PolarHBondContact O-N 2.87Å |
| 610 | K | 83 | Confident | 82.5 | Confident | 121 Ų | 121 | 90 Ų | 90 | 53% | 0.526 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -70.7 | -31.5 | 177.8 | -71.7 | -70.8 | 168.9 | -133 | 0 | 113.2 | Q606 L607 E613 Y614 | Q606-K610 WeakPolarHBondContact O-CB 3.32Å; Q606-K610 VanDerWaalsContact O-CG 3.27Å; Q606-K610 WeakPolarHBondContact O-CG 3.29Å; Q606-K610 PolarHBondContact O-N 2.54Å; L607-K610 PolarHBondContact O-N 2.83Å; K610-E613 IonicContact NZ-OE1 2.74Å; K610-E613 PolarHBondContact NZ-OE1 3.49Å; K610-E613 IonicContact NZ-OE2 2.62Å; K610-E613 PolarHBondContact NZ-OE2 3.32Å; K610-Y614 WeakPolarHBondContact O-CB 3.47Å; K610-Y614 PolarHBondContact O-N 3.24Å |
| 611 | Q | 83.9 | Confident | 82.6 | Confident | 103 Ų | 103 | 91.2 Ų | 91.2 | 48% | 0.481 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.4 | -46.1 | 169.7 | -176.3 | -179.4 | -30.7 | 0 | 0 | 110.8 | L607 L608 E613 Y614 E615 | L607-Q611 WeakPolarHBondContact O-CB 3.45Å; L607-Q611 PolarHBondContact O-N 2.9Å; L608-Q611 PolarHBondContact O-N 2.82Å; Q611-E613 VanDerWaalsContact C-N 3.32Å; Q611-E613 PolarHBondContact O-N 2.98Å; Q611-Y614 CarbonylContact O-C 3.55Å; Q611-Y614 WeakPolarHBondContact O-CB 3.32Å; Q611-Y614 PolarHBondContact O-N 3.41Å; Q611-Y614 VanDerWaalsContact O-N 3.1Å; Q611-E615 HydrophobicContact CG-CG 4.48Å; Q611-E615 WeakPolarHBondContact CG-OE1 3.4Å; Q611-E615 PolarHBondContact NE2-OE1 3.1Å; Q611-E615 WeakPolarHBondContact O-CG 3.29Å; Q611-E615 PolarHBondContact O-N 2.9Å |
| 612 | G | 81.6 | Confident | 82.5 | Confident | 28 Ų | 28 | 91.7 Ų | 91.7 | 29% | 0.289 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.1 | -35.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L608 A609 T616 | L608-G612 PolarHBondContact O-N 3.46Å; A609-G612 PolarHBondContact O-N 2.78Å; G612-T616 WeakPolarHBondContact O-CG2 3.34Å; G612-T616 PolarHBondContact O-N 3.23Å; G612-T616 VanDerWaalsContact O-N 3.14Å; G612-T616 PolarHBondContact O-OG1 3.27Å |
| 613 | E | 82.6 | Confident | 82.7 | Confident | 96 Ų | 96 | 91.4 Ų | 91.4 | 45% | 0.449 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.1 | -49.7 | 168.2 | -75.9 | 174 | -140.3 | 0 | 0 | 110.9 | A609 K610 Q611 E615 T616 F617 | A609-E613 WeakPolarHBondContact O-CG 3.4Å; A609-E613 PolarHBondContact O-N 2.87Å; K610-E613 IonicContact NZ-OE1 2.74Å; K610-E613 PolarHBondContact NZ-OE1 3.49Å; K610-E613 IonicContact NZ-OE2 2.62Å; K610-E613 PolarHBondContact NZ-OE2 3.32Å; Q611-E613 VanDerWaalsContact C-N 3.32Å; Q611-E613 PolarHBondContact O-N 2.98Å; E613-E615 PolarHBondContact O-N 2.77Å; E613-T616 PolarHBondContact O-N 2.96Å; E613-T616 PolarHBondContact O-OG1 2.81Å; E613-F617 WeakPolarHBondContact O-CB 3.33Å; E613-F617 PolarHBondContact O-N 3.23Å |
| 614 | Y | 75.6 | Confident | 82.9 | Confident | 100 Ų | 100 | 89.4 Ų | 89.4 | 39% | 0.392 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.3 | -43.6 | 179 | -179.5 | -87.8 | 0 | 0 | 0 | 113.1 | K610 Q611 F617 Q618 I782 | K610-Y614 WeakPolarHBondContact O-CB 3.47Å; K610-Y614 PolarHBondContact O-N 3.24Å; Q611-Y614 CarbonylContact O-C 3.55Å; Q611-Y614 WeakPolarHBondContact O-CB 3.32Å; Q611-Y614 PolarHBondContact O-N 3.41Å; Q611-Y614 VanDerWaalsContact O-N 3.1Å; Y614-F617 WeakPolarHBondContact O-CB 3.29Å; Y614-F617 PolarHBondContact O-N 3.38Å; Y614-Q618 WeakPolarHBondContact O-CB 3.49Å; Y614-Q618 PolarHBondContact O-N 2.95Å; Y614-I782 HydrophobicContact CE2-CD1 3.78Å; Y614-I782 HydrophobicContact CE2-CG1 4.19Å |
| 615 | E | 83.3 | Confident | 83 | Confident | 92 Ų | 92 | 91 Ų | 91 | 43% | 0.43 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 176.4 | -71.6 | 168.2 | -169.9 | 0 | 0 | 111 | Q611 E613 F617 Q618 L619 | Q611-E615 HydrophobicContact CG-CG 4.48Å; Q611-E615 WeakPolarHBondContact CG-OE1 3.4Å; Q611-E615 PolarHBondContact NE2-OE1 3.1Å; Q611-E615 WeakPolarHBondContact O-CG 3.29Å; Q611-E615 PolarHBondContact O-N 2.9Å; E613-E615 PolarHBondContact O-N 2.77Å; E615-F617 VanDerWaalsContact C-N 3.33Å; E615-F617 PolarHBondContact O-N 3.02Å; E615-Q618 PolarHBondContact O-N 3.22Å; E615-L619 WeakPolarHBondContact O-CG 3.33Å; E615-L619 PolarHBondContact O-N 3.48Å |
| 616 | T | 85.1 | Confident | 83.1 | Confident | 60 Ų | 60 | 88.9 Ų | 88.9 | 37% | 0.368 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69 | -30.1 | 174.1 | 59.1 | 0 | 0 | 0 | 0 | 113.4 | G612 E613 S620 | G612-T616 WeakPolarHBondContact O-CG2 3.34Å; G612-T616 PolarHBondContact O-N 3.23Å; G612-T616 VanDerWaalsContact O-N 3.14Å; G612-T616 PolarHBondContact O-OG1 3.27Å; E613-T616 PolarHBondContact O-N 2.96Å; E613-T616 PolarHBondContact O-OG1 2.81Å; T616-S620 WeakPolarHBondContact O-CB 3.49Å; T616-S620 PolarHBondContact O-N 3.44Å; T616-S620 PolarHBondContact O-OG 2.82Å |
| 617 | F | 79 | Confident | 83.3 | Confident | 48 Ų | 48 | 89.1 Ų | 89.1 | 21% | 0.211 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.8 | -48.6 | 172.4 | 178.4 | -83.7 | 0 | 0 | 0 | 110.2 | E613 Y614 E615 L619 S620 F621 L775 M778 V779 | E613-F617 WeakPolarHBondContact O-CB 3.33Å; E613-F617 PolarHBondContact O-N 3.23Å; Y614-F617 WeakPolarHBondContact O-CB 3.29Å; Y614-F617 PolarHBondContact O-N 3.38Å; E615-F617 VanDerWaalsContact C-N 3.33Å; E615-F617 PolarHBondContact O-N 3.02Å; F617-L619 PolarHBondContact O-N 3.06Å; F617-S620 PolarHBondContact O-N 3.34Å; F617-S620 PolarHBondContact O-OG 3.05Å; F617-F621 VanDerWaalsContact O-CB 3.32Å; F617-F621 WeakPolarHBondContact O-CB 3.37Å; F617-F621 PolarHBondContact O-N 3.28Å; F617-L775 HydrophobicContact CD2-CD2 4.28Å; F617-L775 HydrophobicContact CE1-CD2 4.46Å; F617-L775 HydrophobicContact CE2-CD2 3.32Å; F617-L775 HydrophobicContact CZ-CD2 3.43Å; F617-L775 VanDerWaalsContact CZ-CD2 3.43Å; F617-M778 HydrophobicContact CE2-CE 3.82Å; F617-M778 HydrophobicContact CE2-SD 4.14Å; F617-M778 HydrophobicContact CZ-CB 4.35Å; F617-M778 HydrophobicContact CZ-CE 4.37Å; F617-V779 HydrophobicContact CE1-CG2 4.44Å |
| 618 | Q | 81.7 | Confident | 83.6 | Confident | 97 Ų | 97 | 88.9 Ų | 88.9 | 45% | 0.453 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 179.9 | -173 | 175.6 | 3.1 | 0 | 0 | 111.6 | Y614 E615 F621 M622 | Y614-Q618 WeakPolarHBondContact O-CB 3.49Å; Y614-Q618 PolarHBondContact O-N 2.95Å; E615-Q618 PolarHBondContact O-N 3.22Å; Q618-F621 PolarHBondContact O-N 3.33Å; Q618-M622 WeakPolarHBondContact O-CG 3.27Å; Q618-M622 PolarHBondContact O-N 2.8Å; Q618-M622 VanDerWaalsContact O-N 3.08Å |
| 619 | L | 85.4 | Confident | 83.8 | Confident | 112 Ų | 112 | 88.9 Ų | 88.9 | 59% | 0.586 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62 | -51.2 | 171.9 | -69.6 | 168.9 | 0 | 0 | 0 | 111.6 | E615 F617 F621 M622 D623 | E615-L619 WeakPolarHBondContact O-CG 3.33Å; E615-L619 PolarHBondContact O-N 3.48Å; F617-L619 PolarHBondContact O-N 3.06Å; L619-F621 PolarHBondContact O-N 3.05Å; L619-M622 PolarHBondContact O-N 3.48Å; L619-M622 VanDerWaalsContact O-N 3.08Å; L619-D623 PolarHBondContact O-N 3.05Å |
| 620 | S | 87 | Confident | 84.3 | Confident | 54 Ų | 54 | 92.3 Ų | 92.3 | 38% | 0.378 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.4 | -27.8 | -179.6 | 70.3 | 0 | 0 | 0 | 0 | 113.4 | T616 F617 L624 | T616-S620 WeakPolarHBondContact O-CB 3.49Å; T616-S620 PolarHBondContact O-N 3.44Å; T616-S620 PolarHBondContact O-OG 2.82Å; F617-S620 PolarHBondContact O-N 3.34Å; F617-S620 PolarHBondContact O-OG 3.05Å; S620-L624 VanDerWaalsContact O-CB 3.3Å; S620-L624 WeakPolarHBondContact O-CB 3.5Å; S620-L624 PolarHBondContact O-N 3.04Å |
| 621 | F | 82.9 | Confident | 84.5 | Confident | 88 Ų | 88 | 90.9 Ų | 90.9 | 39% | 0.386 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -71.6 | -38.1 | 173.3 | -179.4 | -98.6 | 0 | 0 | 0 | 112.3 | F617 Q618 L619 R625 L775 | F617-F621 VanDerWaalsContact O-CB 3.32Å; F617-F621 WeakPolarHBondContact O-CB 3.37Å; F617-F621 PolarHBondContact O-N 3.28Å; Q618-F621 PolarHBondContact O-N 3.33Å; L619-F621 PolarHBondContact O-N 3.05Å; F621-R625 VanDerWaalsContact O-CB 3.24Å; F621-R625 WeakPolarHBondContact O-CB 3.5Å; F621-R625 PolarHBondContact O-N 3.31Å; F621-L775 HydrophobicContact CD2-CD1 4.39Å |
| 622 | M | 84 | Confident | 84.7 | Confident | 123 Ų | 123 | 88.9 Ų | 88.9 | 61% | 0.606 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -66.1 | -40.5 | 170.9 | -71.7 | -175 | 65.2 | 0 | 0 | 111.8 | Q618 L619 R625 Q626 | Q618-M622 WeakPolarHBondContact O-CG 3.27Å; Q618-M622 PolarHBondContact O-N 2.8Å; Q618-M622 VanDerWaalsContact O-N 3.08Å; L619-M622 PolarHBondContact O-N 3.48Å; L619-M622 VanDerWaalsContact O-N 3.08Å; M622-R625 PolarHBondContact O-N 3.45Å; M622-Q626 WeakPolarHBondContact O-CB 3.19Å; M622-Q626 PolarHBondContact O-N 3.19Å |
| 623 | D | 86 | Confident | 85.1 | Confident | 93 Ų | 93 | 89 Ų | 89 | 50% | 0.497 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.8 | -47.8 | 174.6 | -73.4 | -28.6 | 0 | 0 | 0 | 111.8 | L619 R625 Q626 Q627 | L619-D623 PolarHBondContact O-N 3.05Å; D623-R625 VanDerWaalsContact C-N 3.3Å; D623-R625 PolarHBondContact O-N 2.85Å; D623-Q626 PolarHBondContact O-N 3.46Å; D623-Q627 WeakPolarHBondContact O-CB 3.45Å; D623-Q627 WeakPolarHBondContact O-CG 3.24Å; D623-Q627 PolarHBondContact O-N 2.91Å |
| 624 | L | 86.7 | Confident | 85.4 | Confident | 40 Ų | 40 | 87.7 Ų | 87.7 | 21% | 0.209 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -59.9 | -39 | 175.1 | -93.7 | 161.2 | 0 | 0 | 0 | 112 | S620 Q627 N628 L775 | S620-L624 VanDerWaalsContact O-CB 3.3Å; S620-L624 WeakPolarHBondContact O-CB 3.5Å; S620-L624 PolarHBondContact O-N 3.04Å; L624-Q627 PolarHBondContact O-N 2.97Å; L624-N628 WeakPolarHBondContact O-CB 3.34Å; L624-N628 PolarHBondContact O-N 2.97Å; L624-N628 PolarHBondContact O-ND2 2.91Å; L624-L775 HydrophobicContact CD1-CD1 4.19Å |
| 625 | R | 84.3 | Confident | 86 | Confident | 151 Ų | 151 | 86.1 Ų | 86.1 | 57% | 0.57 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.4 | -47.7 | 174.4 | 179.9 | 174.6 | 176.2 | 160.1 | 2.8 | 111.4 | F621 M622 D623 Q627 N628 E629 | F621-R625 VanDerWaalsContact O-CB 3.24Å; F621-R625 WeakPolarHBondContact O-CB 3.5Å; F621-R625 PolarHBondContact O-N 3.31Å; M622-R625 PolarHBondContact O-N 3.45Å; D623-R625 VanDerWaalsContact C-N 3.3Å; D623-R625 PolarHBondContact O-N 2.85Å; R625-Q627 VanDerWaalsContact C-N 3.29Å; R625-Q627 PolarHBondContact O-N 3.48Å; R625-N628 PolarHBondContact O-N 3.08Å; R625-E629 WeakPolarHBondContact CG-OE1 3.28Å; R625-E629 IonicContact CZ-OE1 3.57Å; R625-E629 IonicContact NE-OE1 3.37Å; R625-E629 PolarHBondContact NE-OE1 3.42Å; R625-E629 IonicContact NH2-OE1 3.39Å; R625-E629 PolarHBondContact NH2-OE1 3.4Å; R625-E629 WeakPolarHBondContact O-CG 3.33Å; R625-E629 PolarHBondContact O-N 3.44Å |
| 626 | Q | 88.1 | Confident | 86.3 | Confident | 99 Ų | 99 | 87.3 Ų | 87.3 | 46% | 0.463 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.5 | -34.5 | 177.9 | -161.1 | -161.7 | 75.2 | 0 | 0 | 111.8 | M622 D623 K630 | M622-Q626 WeakPolarHBondContact O-CB 3.19Å; M622-Q626 PolarHBondContact O-N 3.19Å; D623-Q626 PolarHBondContact O-N 3.46Å; Q626-K630 WeakPolarHBondContact O-CB 3.22Å; Q626-K630 WeakPolarHBondContact O-CD 3.39Å; Q626-K630 VanDerWaalsContact O-CG 3.24Å; Q626-K630 WeakPolarHBondContact O-CG 3.4Å; Q626-K630 PolarHBondContact O-N 2.92Å |
| 627 | Q | 87.1 | Confident | 86.6 | Confident | 112 Ų | 112 | 88 Ų | 88 | 52% | 0.523 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.7 | -41 | 172.8 | -72.5 | -179.1 | 27.8 | 0 | 0 | 112.1 | D623 L624 R625 K630 L631 | D623-Q627 WeakPolarHBondContact O-CB 3.45Å; D623-Q627 WeakPolarHBondContact O-CG 3.24Å; D623-Q627 PolarHBondContact O-N 2.91Å; L624-Q627 PolarHBondContact O-N 2.97Å; R625-Q627 VanDerWaalsContact C-N 3.29Å; R625-Q627 PolarHBondContact O-N 3.48Å; Q627-K630 PolarHBondContact O-N 3.44Å; Q627-L631 WeakPolarHBondContact O-CB 3.44Å; Q627-L631 WeakPolarHBondContact O-CG 3.42Å; Q627-L631 PolarHBondContact O-N 3.34Å |
| 628 | N | 85.6 | Confident | 87.1 | Confident | 90 Ų | 90 | 90 Ų | 90 | 48% | 0.481 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 173.7 | -83.8 | -37.1 | 0 | 0 | 0 | 112.5 | L624 R625 L631 A632 | L624-N628 WeakPolarHBondContact O-CB 3.34Å; L624-N628 PolarHBondContact O-N 2.97Å; L624-N628 PolarHBondContact O-ND2 2.91Å; R625-N628 PolarHBondContact O-N 3.08Å; N628-L631 PolarHBondContact O-N 3.12Å; N628-A632 VanDerWaalsContact O-CB 3.29Å; N628-A632 WeakPolarHBondContact O-CB 3.47Å; N628-A632 PolarHBondContact O-N 2.91Å |
| 629 | E | 87.7 | Confident | 87.5 | Confident | 106 Ų | 106 | 90 Ų | 90 | 50% | 0.495 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 174.8 | -72.2 | 169 | -173.4 | 0 | 0 | 111.1 | R625 G633 | R625-E629 WeakPolarHBondContact CG-OE1 3.28Å; R625-E629 IonicContact CZ-OE1 3.57Å; R625-E629 IonicContact NE-OE1 3.37Å; R625-E629 PolarHBondContact NE-OE1 3.42Å; R625-E629 IonicContact NH2-OE1 3.39Å; R625-E629 PolarHBondContact NH2-OE1 3.4Å; R625-E629 WeakPolarHBondContact O-CG 3.33Å; R625-E629 PolarHBondContact O-N 3.44Å; E629-G633 PolarHBondContact O-N 3.48Å |
| 630 | K | 89.4 | Confident | 87.7 | Confident | 126 Ų | 126 | 86.9 Ų | 86.9 | 55% | 0.548 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 170.3 | -74.4 | 163.9 | 176.3 | 170.6 | 0 | 112.4 | Q626 Q627 G633 T634 | Q626-K630 WeakPolarHBondContact O-CB 3.22Å; Q626-K630 WeakPolarHBondContact O-CD 3.39Å; Q626-K630 VanDerWaalsContact O-CG 3.24Å; Q626-K630 WeakPolarHBondContact O-CG 3.4Å; Q626-K630 PolarHBondContact O-N 2.92Å; Q627-K630 PolarHBondContact O-N 3.44Å; K630-G633 PolarHBondContact O-N 2.9Å; K630-T634 PolarHBondContact O-N 3.47Å |
| 631 | L | 88.4 | Confident | 87.8 | Confident | 90 Ų | 90 | 89.8 Ų | 89.8 | 47% | 0.471 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 179.9 | -77.9 | 170.3 | 0 | 0 | 0 | 111.5 | Q627 N628 G633 T634 V635 | Q627-L631 WeakPolarHBondContact O-CB 3.44Å; Q627-L631 WeakPolarHBondContact O-CG 3.42Å; Q627-L631 PolarHBondContact O-N 3.34Å; N628-L631 PolarHBondContact O-N 3.12Å; L631-G633 VanDerWaalsContact C-N 3.32Å; L631-G633 PolarHBondContact O-N 3.21Å; L631-T634 WeakPolarHBondContact CA-OG1 3.34Å; L631-T634 CarbonylContact O-C 3.6Å; L631-T634 WeakPolarHBondContact O-CA 3.3Å; L631-T634 PolarHBondContact O-N 3.41Å; L631-T634 PolarHBondContact O-OG1 3.08Å; L631-V635 WeakPolarHBondContact O-CG2 3.44Å; L631-V635 PolarHBondContact O-N 3.27Å |
| 632 | A | 87.2 | Confident | 88 | Confident | 61 Ų | 61 | 89.8 Ų | 89.8 | 50% | 0.504 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -56 | -46.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | N628 T634 V635 E636 | N628-A632 VanDerWaalsContact O-CB 3.29Å; N628-A632 WeakPolarHBondContact O-CB 3.47Å; N628-A632 PolarHBondContact O-N 2.91Å; A632-T634 PolarHBondContact O-N 3.47Å; A632-V635 PolarHBondContact O-N 3.41Å; A632-E636 PolarHBondContact O-N 2.81Å |
| 633 | G | 89.9 | Confident | 88.2 | Confident | 31 Ų | 31 | 88.8 Ų | 88.8 | 32% | 0.32 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.3 | -42.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | E629 K630 L631 E636 T637 | E629-G633 PolarHBondContact O-N 3.48Å; K630-G633 PolarHBondContact O-N 2.9Å; L631-G633 VanDerWaalsContact C-N 3.32Å; L631-G633 PolarHBondContact O-N 3.21Å; G633-E636 PolarHBondContact O-N 2.93Å; G633-T637 WeakPolarHBondContact O-CG2 3.42Å; G633-T637 PolarHBondContact O-N 3.27Å |
| 634 | T | 89.6 | Confident | 88.3 | Confident | 69 Ų | 69 | 92.3 Ų | 92.3 | 42% | 0.423 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 175.6 | 63.4 | 0 | 0 | 0 | 0 | 112.9 | K630 L631 A632 T637 L638 | K630-T634 PolarHBondContact O-N 3.47Å; L631-T634 WeakPolarHBondContact CA-OG1 3.34Å; L631-T634 CarbonylContact O-C 3.6Å; L631-T634 WeakPolarHBondContact O-CA 3.3Å; L631-T634 PolarHBondContact O-N 3.41Å; L631-T634 PolarHBondContact O-OG1 3.08Å; A632-T634 PolarHBondContact O-N 3.47Å; T634-T637 PolarHBondContact O-N 3.19Å; T634-T637 PolarHBondContact O-OG1 2.92Å; T634-L638 WeakPolarHBondContact O-CG 3.35Å; T634-L638 PolarHBondContact O-N 2.92Å |
| 635 | V | 88.1 | Confident | 88.3 | Confident | 66 Ų | 66 | 96.2 Ų | 96.2 | 40% | 0.4 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 175.4 | 171.1 | 0 | 0 | 0 | 0 | 110.1 | L631 A632 T637 L638 E639 | L631-V635 WeakPolarHBondContact O-CG2 3.44Å; L631-V635 PolarHBondContact O-N 3.27Å; A632-V635 PolarHBondContact O-N 3.41Å; V635-T637 VanDerWaalsContact C-N 3.32Å; V635-T637 PolarHBondContact O-N 2.94Å; V635-L638 CarbonylContact O-C 3.59Å; V635-L638 WeakPolarHBondContact O-CA 3.3Å; V635-L638 PolarHBondContact O-N 2.84Å; V635-E639 HydrophobicContact CG1-CG 4.34Å; V635-E639 PolarHBondContact O-N 3.16Å |
| 636 | E | 90.1 | Very high | 88.1 | Confident | 118 Ų | 118 | 94 Ų | 94 | 55% | 0.551 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58.9 | -42 | 175.6 | -159 | -161.5 | 152.3 | 0 | 0 | 111.5 | A632 G633 L638 N640 | A632-E636 PolarHBondContact O-N 2.81Å; G633-E636 PolarHBondContact O-N 2.93Å; E636-L638 VanDerWaalsContact C-N 3.29Å; E636-L638 PolarHBondContact O-N 3.43Å; E636-N640 VanDerWaalsContact O-CB 3.22Å; E636-N640 WeakPolarHBondContact O-CB 3.5Å; E636-N640 VanDerWaalsContact O-CG 3.23Å; E636-N640 PolarHBondContact O-N 2.81Å; E636-N640 PolarHBondContact O-ND2 2.91Å |
| 637 | T | 90.2 | Very high | 87.9 | Confident | 73 Ų | 73 | 94.2 Ų | 94.2 | 45% | 0.448 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68 | -25.6 | 174.8 | 69 | 0 | 0 | 0 | 0 | 113.9 | G633 T634 V635 K641 | G633-T637 WeakPolarHBondContact O-CG2 3.42Å; G633-T637 PolarHBondContact O-N 3.27Å; T634-T637 PolarHBondContact O-N 3.19Å; T634-T637 PolarHBondContact O-OG1 2.92Å; V635-T637 VanDerWaalsContact C-N 3.32Å; V635-T637 PolarHBondContact O-N 2.94Å; T637-K641 WeakPolarHBondContact O-CD 3.38Å; T637-K641 VanDerWaalsContact O-CG 3.28Å; T637-K641 WeakPolarHBondContact O-CG 3.46Å; T637-K641 PolarHBondContact O-N 2.91Å |
| 638 | L | 90.2 | Very high | 87.7 | Confident | 92 Ų | 92 | 93.9 Ų | 93.9 | 48% | 0.482 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -80.7 | -43.2 | 176 | -72.7 | 171.2 | 0 | 0 | 0 | 111.3 | T634 V635 E636 N640 K641 I642 | T634-L638 WeakPolarHBondContact O-CG 3.35Å; T634-L638 PolarHBondContact O-N 2.92Å; V635-L638 CarbonylContact O-C 3.59Å; V635-L638 WeakPolarHBondContact O-CA 3.3Å; V635-L638 PolarHBondContact O-N 2.84Å; E636-L638 VanDerWaalsContact C-N 3.29Å; E636-L638 PolarHBondContact O-N 3.43Å; L638-N640 VanDerWaalsContact C-N 3.32Å; L638-N640 PolarHBondContact O-N 3.28Å; L638-K641 HydrophobicContact CD2-CD 4.38Å; L638-K641 CarbonylContact O-C 3.57Å; L638-K641 WeakPolarHBondContact O-CA 3.42Å; L638-K641 WeakPolarHBondContact O-CB 3.31Å; L638-K641 PolarHBondContact O-N 2.97Å; L638-I642 WeakPolarHBondContact O-CG1 3.33Å; L638-I642 PolarHBondContact O-N 3.11Å |
| 639 | E | 89 | Confident | 87.4 | Confident | 95 Ų | 95 | 93.4 Ų | 93.4 | 44% | 0.444 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 171.2 | -69.9 | -173.1 | -170.9 | 0 | 0 | 111.9 | V635 K641 I642 R643 | V635-E639 HydrophobicContact CG1-CG 4.34Å; V635-E639 PolarHBondContact O-N 3.16Å; E639-K641 PolarHBondContact O-N 3.15Å; E639-I642 PolarHBondContact O-N 3.26Å; E639-R643 WeakPolarHBondContact O-CB 3.43Å; E639-R643 PolarHBondContact O-N 3.19Å; E639-R643 IonicContact OE2-NH2 2.63Å; E639-R643 PolarHBondContact OE2-NH2 3.38Å |
| 640 | N | 89.9 | Confident | 87 | Confident | 48 Ų | 48 | 94 Ų | 94 | 26% | 0.257 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.9 | -22.6 | 174.2 | -77.4 | -43.1 | 0 | 0 | 0 | 112.6 | E636 L638 R643 R644 | E636-N640 VanDerWaalsContact O-CB 3.22Å; E636-N640 WeakPolarHBondContact O-CB 3.5Å; E636-N640 VanDerWaalsContact O-CG 3.23Å; E636-N640 PolarHBondContact O-N 2.81Å; E636-N640 PolarHBondContact O-ND2 2.91Å; L638-N640 VanDerWaalsContact C-N 3.32Å; L638-N640 PolarHBondContact O-N 3.28Å; N640-R643 PolarHBondContact OD1-NH1 3.33Å; N640-R644 VanDerWaalsContact O-CD 3.29Å; N640-R644 WeakPolarHBondContact O-CD 3.35Å; N640-R644 VanDerWaalsContact O-CG 3.23Å; N640-R644 WeakPolarHBondContact O-CG 3.42Å; N640-R644 PolarHBondContact O-NE 2.95Å |
| 641 | K | 89.8 | Confident | 86.5 | Confident | 115 Ų | 115 | 95.5 Ų | 95.5 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -81.6 | -42.7 | 169.5 | -74.8 | 164.8 | -177.1 | 170 | 0 | 111.8 | T637 L638 E639 R644 Q645 | T637-K641 WeakPolarHBondContact O-CD 3.38Å; T637-K641 VanDerWaalsContact O-CG 3.28Å; T637-K641 WeakPolarHBondContact O-CG 3.46Å; T637-K641 PolarHBondContact O-N 2.91Å; L638-K641 HydrophobicContact CD2-CD 4.38Å; L638-K641 CarbonylContact O-C 3.57Å; L638-K641 WeakPolarHBondContact O-CA 3.42Å; L638-K641 WeakPolarHBondContact O-CB 3.31Å; L638-K641 PolarHBondContact O-N 2.97Å; E639-K641 PolarHBondContact O-N 3.15Å; K641-R644 PolarHBondContact O-N 3.03Å; K641-Q645 WeakPolarHBondContact O-CG 3.48Å; K641-Q645 PolarHBondContact O-N 3.23Å |
| 642 | I | 87 | Confident | 86 | Confident | 88 Ų | 88 | 95.3 Ų | 95.3 | 45% | 0.451 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 178.7 | -68.7 | 166.3 | 0 | 0 | 0 | 110.4 | L638 E639 R644 Q645 Q646 | L638-I642 WeakPolarHBondContact O-CG1 3.33Å; L638-I642 PolarHBondContact O-N 3.11Å; E639-I642 PolarHBondContact O-N 3.26Å; I642-R644 PolarHBondContact O-N 2.88Å; I642-Q645 CarbonylContact O-C 3.58Å; I642-Q645 WeakPolarHBondContact O-CA 3.28Å; I642-Q645 PolarHBondContact O-N 2.88Å; I642-Q646 HydrophobicContact CG2-CG 4.41Å; I642-Q646 WeakPolarHBondContact O-CG 3.45Å; I642-Q646 PolarHBondContact O-N 2.84Å |
| 643 | R | 87.8 | Confident | 85.3 | Confident | 101 Ų | 101 | 95.1 Ų | 95.1 | 38% | 0.381 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.5 | -45.5 | 174.4 | -81.8 | -179.1 | -98.7 | 115.3 | -2.7 | 111.9 | E639 N640 Q645 Q646 E647 | E639-R643 WeakPolarHBondContact O-CB 3.43Å; E639-R643 PolarHBondContact O-N 3.19Å; E639-R643 IonicContact OE2-NH2 2.63Å; E639-R643 PolarHBondContact OE2-NH2 3.38Å; N640-R643 PolarHBondContact OD1-NH1 3.33Å; R643-Q645 VanDerWaalsContact C-N 3.3Å; R643-Q645 PolarHBondContact O-N 3.27Å; R643-Q646 PolarHBondContact O-N 2.85Å; R643-E647 WeakPolarHBondContact O-CB 3.45Å; R643-E647 WeakPolarHBondContact O-CG 3.3Å; R643-E647 PolarHBondContact O-N 3.13Å |
| 644 | R | 87.7 | Confident | 84 | Confident | 167 Ų | 167 | 97.3 Ų | 97.3 | 63% | 0.63 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.2 | -32.6 | 173 | -70.5 | 172 | -168.1 | 167 | 6 | 113.7 | N640 K641 I642 L648 | N640-R644 VanDerWaalsContact O-CD 3.29Å; N640-R644 WeakPolarHBondContact O-CD 3.35Å; N640-R644 VanDerWaalsContact O-CG 3.23Å; N640-R644 WeakPolarHBondContact O-CG 3.42Å; N640-R644 PolarHBondContact O-NE 2.95Å; K641-R644 PolarHBondContact O-N 3.03Å; I642-R644 PolarHBondContact O-N 2.88Å; R644-L648 VanDerWaalsContact O-CB 3.26Å; R644-L648 WeakPolarHBondContact O-CB 3.42Å; R644-L648 PolarHBondContact O-N 3.47Å; R644-L648 VanDerWaalsContact O-N 3.08Å |
| 645 | Q | 86.6 | Confident | 82.3 | Confident | 123 Ų | 123 | 99.4 Ų | 99.4 | 58% | 0.575 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -75.3 | -36.1 | 175.8 | -75.7 | 176.8 | -33.5 | 0 | 0 | 112.1 | K641 I642 R643 L648 L649 | K641-Q645 WeakPolarHBondContact O-CG 3.48Å; K641-Q645 PolarHBondContact O-N 3.23Å; I642-Q645 CarbonylContact O-C 3.58Å; I642-Q645 WeakPolarHBondContact O-CA 3.28Å; I642-Q645 PolarHBondContact O-N 2.88Å; R643-Q645 VanDerWaalsContact C-N 3.3Å; R643-Q645 PolarHBondContact O-N 3.27Å; Q645-L648 PolarHBondContact O-N 2.88Å; Q645-L649 WeakPolarHBondContact O-CB 3.37Å; Q645-L649 VanDerWaalsContact O-CG 3.3Å; Q645-L649 WeakPolarHBondContact O-CG 3.33Å; Q645-L649 PolarHBondContact O-N 2.9Å |
| 646 | Q | 80.5 | Confident | 80.6 | Confident | 104 Ų | 104 | 101.9 Ų | 101.9 | 49% | 0.486 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.8 | -49.9 | 171.5 | -71.3 | 173.9 | -51.9 | 0 | 0 | 110.6 | I642 R643 L648 L649 D650 | I642-Q646 HydrophobicContact CG2-CG 4.41Å; I642-Q646 WeakPolarHBondContact O-CG 3.45Å; I642-Q646 PolarHBondContact O-N 2.84Å; R643-Q646 PolarHBondContact O-N 2.85Å; Q646-L648 PolarHBondContact O-N 3.43Å; Q646-L648 VanDerWaalsContact O-N 3.15Å; Q646-L649 PolarHBondContact O-N 2.83Å; Q646-D650 WeakPolarHBondContact O-CB 3.49Å; Q646-D650 PolarHBondContact O-N 3.44Å |
| 647 | E | 83.5 | Confident | 78.9 | Confident | 104 Ų | 104 | 101.2 Ų | 101.2 | 49% | 0.486 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -51.8 | -38 | 172.4 | -73.1 | 161.5 | -164.5 | 0 | 0 | 112.1 | R643 Q651 | R643-E647 WeakPolarHBondContact O-CB 3.45Å; R643-E647 WeakPolarHBondContact O-CG 3.3Å; R643-E647 PolarHBondContact O-N 3.13Å; E647-Q651 WeakPolarHBondContact O-CB 3.31Å; E647-Q651 WeakPolarHBondContact O-CG 3.32Å; E647-Q651 PolarHBondContact O-N 3.01Å; E647-Q651 PolarHBondContact O-NE2 3.21Å |
| 648 | L | 84.3 | Confident | 77 | Confident | 104 Ų | 104 | 103 Ų | 103 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -79.7 | -32.8 | 179.1 | -167.1 | 137.7 | 0 | 0 | 0 | 113.1 | R644 Q645 Q646 C652 | R644-L648 VanDerWaalsContact O-CB 3.26Å; R644-L648 WeakPolarHBondContact O-CB 3.42Å; R644-L648 PolarHBondContact O-N 3.47Å; R644-L648 VanDerWaalsContact O-N 3.08Å; Q645-L648 PolarHBondContact O-N 2.88Å; Q646-L648 PolarHBondContact O-N 3.43Å; Q646-L648 VanDerWaalsContact O-N 3.15Å; L648-C652 WeakPolarHBondContact O-CB 3.24Å; L648-C652 PolarHBondContact O-N 3.22Å; L648-C652 PolarHBondContact O-SG 2.95Å |
| 649 | L | 79.5 | Confident | 74.7 | Confident | 80 Ų | 80 | 105.9 Ų | 105.9 | 42% | 0.419 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.1 | -39.2 | 171.9 | -76.2 | 167 | 0 | 0 | 0 | 112 | Q645 Q646 C652 G653 V654 | Q645-L649 WeakPolarHBondContact O-CB 3.37Å; Q645-L649 VanDerWaalsContact O-CG 3.3Å; Q645-L649 WeakPolarHBondContact O-CG 3.33Å; Q645-L649 PolarHBondContact O-N 2.9Å; Q646-L649 PolarHBondContact O-N 2.83Å; L649-C652 CarbonylContact O-C 3.47Å; L649-C652 PolarHBondContact O-N 3.08Å; L649-G653 PolarHBondContact O-N 3.09Å; L649-V654 HydrophobicContact CD2-CB 4.16Å; L649-V654 HydrophobicContact CD2-CG1 4.47Å; L649-V654 PolarHBondContact O-N 2.89Å |
| 650 | D | 78 | Confident | 72.7 | Confident | 119 Ų | 119 | 107.7 Ų | 107.7 | 64% | 0.636 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.6 | -43.9 | 173.2 | -71.6 | -25.2 | 0 | 0 | 0 | 110.8 | Q646 C652 G653 | Q646-D650 WeakPolarHBondContact O-CB 3.49Å; Q646-D650 PolarHBondContact O-N 3.44Å; D650-C652 VanDerWaalsContact C-N 3.28Å; D650-C652 PolarHBondContact O-N 3.05Å; D650-G653 PolarHBondContact O-N 3.4Å |
| 651 | Q | 79.7 | Confident | 70.6 | Confident | 157 Ų | 157 | 113.2 Ų | 113.2 | 73% | 0.734 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.5 | -32.4 | 171.4 | -78.6 | 166.9 | 68.2 | 0 | 0 | 113.1 | E647 G653 | E647-Q651 WeakPolarHBondContact O-CB 3.31Å; E647-Q651 WeakPolarHBondContact O-CG 3.32Å; E647-Q651 PolarHBondContact O-N 3.01Å; E647-Q651 PolarHBondContact O-NE2 3.21Å; Q651-G653 VanDerWaalsContact C-N 3.33Å |
| 652 | C | 76.5 | Confident | 68.3 | Low | 86 Ų | 86 | 111.4 Ų | 111.4 | 58% | 0.581 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -5.8 | 173.7 | -70.9 | 0 | 0 | 0 | 0 | 114.1 | L648 L649 D650 V654 | L648-C652 WeakPolarHBondContact O-CB 3.24Å; L648-C652 PolarHBondContact O-N 3.22Å; L648-C652 PolarHBondContact O-SG 2.95Å; L649-C652 CarbonylContact O-C 3.47Å; L649-C652 PolarHBondContact O-N 3.08Å; D650-C652 VanDerWaalsContact C-N 3.28Å; D650-C652 PolarHBondContact O-N 3.05Å; C652-V654 VanDerWaalsContact C-N 3.31Å; C652-V654 HydrophobicContact CB-CG2 4Å; C652-V654 PolarHBondContact O-N 3.29Å |
| 653 | G | 73 | Confident | 66.1 | Low | 57 Ų | 57 | 115.4 Ų | 115.4 | 59% | 0.588 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.1 | 21.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | L649 D650 Q651 T655 | L649-G653 PolarHBondContact O-N 3.09Å; D650-G653 PolarHBondContact O-N 3.4Å; Q651-G653 VanDerWaalsContact C-N 3.33Å; G653-T655 PolarHBondContact O-N 3.36Å |
| 654 | V | 62.3 | Low | 63.9 | Low | 78 Ų | 78 | 116.7 Ų | 116.7 | 47% | 0.473 | 66% | 0.659 | S | S | . | * | trans | -93.4 | 75.2 | -175.5 | -172.7 | 0 | 0 | 0 | 0 | 110.3 | L649 C652 V656 | L649-V654 HydrophobicContact CD2-CB 4.16Å; L649-V654 HydrophobicContact CD2-CG1 4.47Å; L649-V654 PolarHBondContact O-N 2.89Å; C652-V654 VanDerWaalsContact C-N 3.31Å; C652-V654 HydrophobicContact CB-CG2 4Å; C652-V654 PolarHBondContact O-N 3.29Å; V654-V656 HydrophobicContact CG1-CG2 4.3Å; V654-V656 PolarHBondContact O-N 2.7Å | ||
| 655 | T | 54.7 | Low | 61.9 | Low | 113 Ų | 113 | 114.6 Ų | 114.6 | 69% | 0.693 | 67% | 0.665 | S | S | * | * | trans | -71.7 | 98 | 177.9 | 54.9 | 0 | 0 | 0 | 0 | 111.5 | G653 T657 | G653-T655 PolarHBondContact O-N 3.36Å; T655-T657 PolarHBondContact O-N 3.1Å; T655-T657 VanDerWaalsContact O-N 3.09Å | ||
| 656 | V | 53.1 | Low | 59.8 | Low | 117 Ų | 117 | 114.6 Ų | 114.6 | 71% | 0.709 | 68% | 0.678 | S | S | * | * | trans | -79.5 | 86.6 | 175.7 | -174.8 | 0 | 0 | 0 | 0 | 110.2 | V654 P658 | V654-V656 HydrophobicContact CG1-CG2 4.3Å; V654-V656 PolarHBondContact O-N 2.7Å; V656-P658 WeakPolarHBondContact O-CD 3.36Å | ||
| 657 | T | 53.6 | Low | 57.9 | Low | 105 Ų | 105 | 115 Ų | 115 | 64% | 0.644 | 69% | 0.692 | S | S | * | * | trans | -77.5 | 118.9 | 170.1 | 51.4 | 0 | 0 | 0 | 0 | 110.2 | T655 L659 | T655-T657 PolarHBondContact O-N 3.1Å; T655-T657 VanDerWaalsContact O-N 3.09Å; T657-L659 PolarHBondContact O-N 3.33Å | ||
| 658 | P | 50.1 | Low | 55.7 | Low | 111 Ų | 111 | 121.6 Ų | 121.6 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | trans | -69.5 | 127.4 | 178 | 28 | -33.7 | 0 | 0 | 0 | 110.9 | V656 T660 | V656-P658 WeakPolarHBondContact O-CD 3.36Å; P658-T660 PolarHBondContact O-N 2.9Å | ||
| 659 | L | 41.5 | Very low | 53.5 | Low | 152 Ų | 152 | 121 Ų | 121 | 80% | 0.796 | 72% | 0.722 | S | S | * | * | trans | -76.2 | 92 | 174.7 | -87.2 | 72.3 | 0 | 0 | 0 | 110.2 | T657 | T657-L659 PolarHBondContact O-N 3.33Š| ||
| 660 | T | 47.1 | Very low | 51.7 | Low | 133 Ų | 133 | 126.7 Ų | 126.7 | 82% | 0.816 | 74% | 0.744 | S | S | * | * | trans | -72.7 | 128.9 | 161.2 | 47.9 | 0 | 0 | 0 | 0 | 109.4 | P658 G662 | P658-T660 PolarHBondContact O-N 2.9Å; T660-G662 PolarHBondContact O-N 2.92Å | ||
| 661 | N | 46.8 | Very low | 50 | Low | 163 Ų | 163 | 129.4 Ų | 129.4 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | trans | -75.3 | 124.8 | -166.7 | -71.1 | -63.6 | 0 | 0 | 0 | 113.6 | ||||
| 662 | G | 40.9 | Very low | 48.1 | Very low | 77 Ų | 77 | 126.7 Ų | 126.7 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | 88.8 | 85 | 132.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | T660 | T660-G662 PolarHBondContact O-N 2.92Š| ||
| 663 | E | 40.8 | Very low | 46.6 | Very low | 172 Ų | 172 | 127.9 Ų | 127.9 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -145.4 | 128.3 | 137.4 | -146.3 | 177.5 | -138.8 | 0 | 0 | 111.6 | T665 | E663-T665 PolarHBondContact O-N 3.47Š| ||
| 664 | P | 41.8 | Very low | 45 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -99.3 | 81.9 | -169.3 | 37 | -34.8 | 0 | 0 | 0 | 113.7 | ||||
| 665 | T | 46 | Very low | 44.2 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | trans | -112.1 | 100.7 | 173.6 | 46.7 | 0 | 0 | 0 | 0 | 113.7 | E663 S667 | E663-T665 PolarHBondContact O-N 3.47Å; T665-S667 PolarHBondContact O-N 3.49Å | ||
| 666 | S | 41.5 | Very low | 43.5 | Very low | 123 Ų | 123 | 140 Ų | 140 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -31.9 | 114 | 170.5 | -179.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 667 | S | 40.8 | Very low | 42.7 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | -177.9 | 170.7 | 127.3 | 56.9 | 0 | 0 | 0 | 0 | 113.8 | T665 | T665-S667 PolarHBondContact O-N 3.49Š| |||
| 668 | R | 37.7 | Very low | 42.2 | Very low | 244 Ų | 244 | 146.4 Ų | 146.4 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | trans | 76.8 | 63.4 | 155.7 | -144.9 | 169.2 | -163.2 | 146.4 | 1.4 | 119.2 | ||||
| 669 | A | 38.2 | Very low | 41.6 | Very low | 90 Ų | 90 | 148.7 Ų | 148.7 | 74% | 0.744 | 84% | 0.836 | S | S | * | * | trans | -40.6 | 168.1 | 152.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 670 | K | 41.7 | Very low | 41.5 | Very low | 200 Ų | 200 | 147.3 Ų | 147.3 | 87% | 0.87 | 84% | 0.839 | S | S | * | * | trans | 87.4 | 101.1 | 174.3 | -55.8 | -179.7 | 179.5 | -176.3 | 0 | 115.9 | ||||
| 671 | I | 42.2 | Very low | 41 | Very low | 177 Ų | 177 | 152.9 Ų | 152.9 | 91% | 0.908 | 85% | 0.845 | S | S | * | * | -151.8 | 134 | 94.3 | -87.5 | 145.7 | 0 | 0 | 0 | 107.7 | |||||
| 672 | A | 39.8 | Very low | 40.3 | Very low | 99 Ų | 99 | 149.7 Ų | 149.7 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | trans | -149.1 | 125.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | E674 | A672-E674 PolarHBondContact O-N 3.11Š| ||
| 673 | S | 45.2 | Very low | 39.9 | Very low | 111 Ų | 111 | 158.2 Ų | 158.2 | 78% | 0.776 | 85% | 0.849 | S | S | * | * | trans | -94.1 | 89.6 | -173.2 | 40.9 | 0 | 0 | 0 | 0 | 113 | K675 | S673-K675 PolarHBondContact O-N 3.3Å; S673-K675 VanDerWaalsContact O-N 3.07Å | ||
| 674 | E | 40.4 | Very low | 39.6 | Very low | 193 Ų | 193 | 159.3 Ų | 159.3 | 90% | 0.902 | 86% | 0.855 | S | S | * | * | S | Bend | 44.6 | 57.3 | 125.1 | -160.3 | 172.4 | -146.4 | 0 | 0 | 117.4 | A672 | A672-E674 PolarHBondContact O-N 3.11Š| |
| 675 | K | 44.6 | Very low | 39.3 | Very low | 208 Ų | 208 | 159.1 Ų | 159.1 | 90% | 0.904 | 85% | 0.851 | S | S | * | * | trans | -155.8 | 10.9 | 170.9 | -120.8 | 159.2 | -169.4 | 172 | 0 | 118.7 | S673 | S673-K675 PolarHBondContact O-N 3.3Å; S673-K675 VanDerWaalsContact O-N 3.07Å | ||
| 676 | A | 39.9 | Very low | 38.7 | Very low | 102 Ų | 102 | 161.3 Ų | 161.3 | 84% | 0.843 | 85% | 0.852 | S | S | * | * | trans | -126.9 | 6.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 677 | E | 36.5 | Very low | 38.5 | Very low | 192 Ų | 192 | 161.2 Ų | 161.2 | 90% | 0.897 | 85% | 0.846 | S | S | * | * | trans | -107.1 | 65 | -168.5 | -163.1 | -178 | -165.5 | 0 | 0 | 114 | ||||
| 678 | I | 42.9 | Very low | 38.2 | Very low | 164 Ų | 164 | 163.1 Ų | 163.1 | 84% | 0.841 | 85% | 0.848 | S | S | * | * | S | Bend | trans | -132.8 | -31.7 | 175.2 | -67.9 | -173.8 | 0 | 0 | 0 | 114.8 | ||
| 679 | I | 38.3 | Very low | 38.2 | Very low | 159 Ų | 159 | 162 Ų | 162 | 82% | 0.815 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -116 | 77.1 | -167.8 | -47.9 | -179.5 | 0 | 0 | 0 | 112.8 | ||
| 680 | S | 37.7 | Very low | 38.6 | Very low | 123 Ų | 123 | 161.7 Ų | 161.7 | 86% | 0.86 | 85% | 0.848 | S | S | * | * | trans | -177.1 | 88.2 | 151.5 | -85.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 681 | R | 36.7 | Very low | 38.9 | Very low | 250 Ų | 250 | 161.1 Ų | 161.1 | 94% | 0.943 | 84% | 0.841 | S | S | * | * | trans | -150.1 | 131 | 165.9 | -124.5 | 179.4 | -168.9 | 174.5 | 7 | 114 | ||||
| 682 | A | 31.9 | Very low | 39.4 | Very low | 96 Ų | 96 | 159 Ų | 159 | 79% | 0.793 | 84% | 0.837 | S | S | * | * | trans | 62.5 | 115.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 683 | R | 33.6 | Very low | 40 | Very low | 257 Ų | 257 | 159.8 Ų | 159.8 | 97% | 0.97 | 83% | 0.827 | S | S | * | * | -165.9 | 98.6 | 128.7 | -110.1 | -179.2 | -170.1 | -157.9 | 3 | 112.4 | |||||
| 684 | E | 34.4 | Very low | 40.4 | Very low | 195 Ų | 195 | 158.7 Ų | 158.7 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | trans | -164.7 | 128.1 | 157.8 | -160.7 | 166.8 | -128.5 | 0 | 0 | 109.1 | ||||
| 685 | V | 36.4 | Very low | 41.3 | Very low | 124 Ų | 124 | 157.3 Ų | 157.3 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | 170.7 | 123.3 | 163.5 | 137.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 686 | Q | 31.6 | Very low | 42.2 | Very low | 170 Ų | 170 | 151.3 Ų | 151.3 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | 59.6 | 156.1 | 151.6 | -65.7 | -174.9 | -71.3 | 0 | 0 | 120.4 | ||||
| 687 | T | 37.7 | Very low | 43.2 | Very low | 120 Ų | 120 | 148.6 Ų | 148.6 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | cis | -158.7 | 161.1 | -1.3 | 4.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 688 | D | 34.1 | Very low | 44.7 | Very low | 152 Ų | 152 | 144 Ų | 144 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | trans | -84.3 | 155.1 | 174.2 | -51.4 | -77.3 | 0 | 0 | 0 | 115.3 | ||||
| 689 | F | 39.1 | Very low | 46.2 | Very low | 221 Ų | 221 | 140.4 Ų | 140.4 | 97% | 0.969 | 73% | 0.726 | S | S | * | * | trans | -154 | 165.1 | 158.8 | -117.5 | -85 | 0 | 0 | 0 | 111.5 | ||||
| 690 | A | 45.6 | Very low | 47.9 | Very low | 83 Ų | 83 | 137.7 Ų | 137.7 | 69% | 0.686 | 71% | 0.71 | S | S | * | * | trans | -134.7 | 154 | -145.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | V692 | A690-V692 PolarHBondContact O-N 3.19Š| ||
| 691 | Y | 47.6 | Very low | 49.5 | Very low | 187 Ų | 187 | 135.6 Ų | 135.6 | 73% | 0.733 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 67.1 | -45.1 | 149.6 | -153 | -96.9 | 0 | 0 | 0 | 122.2 | D693 H694 | Y691-D693 VanDerWaalsContact C-N 3.32Å; Y691-D693 PolarHBondContact O-N 2.94Å; Y691-H694 AromaticContact CE2-CD2 3.85Å; Y691-H694 WeakPolarHBondContact O-CB 3.38Å; Y691-H694 PolarHBondContact O-N 2.93Å |
| 692 | V | 53.2 | Low | 51.5 | Low | 134 Ų | 134 | 129.3 Ų | 129.3 | 81% | 0.812 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -34.7 | -176 | 176.6 | 0 | 0 | 0 | 0 | 111.7 | A690 H694 | A690-V692 PolarHBondContact O-N 3.19Å; V692-H694 PolarHBondContact O-N 3.41Å |
| 693 | D | 53.4 | Low | 53.8 | Low | 115 Ų | 115 | 127.5 Ų | 127.5 | 62% | 0.615 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -15.4 | 170.1 | -69.8 | -58.8 | 0 | 0 | 0 | 113.1 | Y691 Q695 T696 T697 | Y691-D693 VanDerWaalsContact C-N 3.32Å; Y691-D693 PolarHBondContact O-N 2.94Å; D693-Q695 PolarHBondContact O-N 3.25Å; D693-T696 PolarHBondContact O-N 3.38Å; D693-T696 VanDerWaalsContact O-N 3.11Å; D693-T697 HydrophobicContact CB-CG2 4.08Å; D693-T697 WeakPolarHBondContact O-CG2 3.47Å; D693-T697 PolarHBondContact O-N 2.7Å; D693-T697 PolarHBondContact O-OG1 3.22Å |
| 694 | H | 52 | Low | 56 | Low | 87 Ų | 87 | 120.2 Ų | 120.2 | 40% | 0.403 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -57.1 | -31 | -167.8 | -167.1 | 2.4 | 0 | 0 | 0 | 114.2 | Y691 V692 T697 M698 | Y691-H694 AromaticContact CE2-CD2 3.85Å; Y691-H694 WeakPolarHBondContact O-CB 3.38Å; Y691-H694 PolarHBondContact O-N 2.93Å; V692-H694 PolarHBondContact O-N 3.41Å; H694-T697 VanDerWaalsContact CA-OG1 3.26Å; H694-T697 WeakPolarHBondContact CA-OG1 3.41Å; H694-T697 CarbonylContact O-C 3.57Å; H694-T697 PolarHBondContact O-OG1 3.15Å; H694-M698 WeakPolarHBondContact O-CB 3.5Å; H694-M698 WeakPolarHBondContact O-CG 3.37Å; H694-M698 PolarHBondContact O-N 3.12Å |
| 695 | Q | 60.1 | Low | 58.4 | Low | 165 Ų | 165 | 116.6 Ų | 116.6 | 77% | 0.771 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -86.4 | -32.5 | -179.3 | -160.5 | 157.9 | 14.4 | 0 | 0 | 113.1 | D693 M698 | D693-Q695 PolarHBondContact O-N 3.25Å; Q695-M698 PolarHBondContact O-N 3.35Å |
| 696 | T | 64.1 | Low | 60.7 | Low | 82 Ų | 82 | 117.1 Ų | 117.1 | 50% | 0.503 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.2 | -43.6 | 167.3 | -45.7 | 0 | 0 | 0 | 0 | 109.7 | D693 M698 S699 Q700 | D693-T696 PolarHBondContact O-N 3.38Å; D693-T696 VanDerWaalsContact O-N 3.11Å; T696-M698 VanDerWaalsContact C-N 3.29Å; T696-M698 PolarHBondContact O-N 2.88Å; T696-S699 PolarHBondContact O-N 2.86Å; T696-Q700 WeakPolarHBondContact O-CG 3.5Å; T696-Q700 PolarHBondContact O-N 2.91Å |
| 697 | T | 59.8 | Low | 63.3 | Low | 44 Ų | 44 | 114 Ų | 114 | 27% | 0.27 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.3 | -20 | 172.7 | 68.1 | 0 | 0 | 0 | 0 | 112.8 | D693 H694 Q700 L701 | D693-T697 HydrophobicContact CB-CG2 4.08Å; D693-T697 WeakPolarHBondContact O-CG2 3.47Å; D693-T697 PolarHBondContact O-N 2.7Å; D693-T697 PolarHBondContact O-OG1 3.22Å; H694-T697 VanDerWaalsContact CA-OG1 3.26Å; H694-T697 WeakPolarHBondContact CA-OG1 3.41Å; H694-T697 CarbonylContact O-C 3.57Å; H694-T697 PolarHBondContact O-OG1 3.15Å; T697-Q700 CarbonylContact O-C 3.48Å; T697-Q700 PolarHBondContact O-N 3.29Å; T697-L701 VanDerWaalsContact O-CA 3.27Å; T697-L701 WeakPolarHBondContact O-CA 3.31Å; T697-L701 WeakPolarHBondContact O-CB 3.43Å; T697-L701 VanDerWaalsContact O-CD1 3.32Å; T697-L701 WeakPolarHBondContact O-CD1 3.29Å; T697-L701 WeakPolarHBondContact O-CG 3.19Å; T697-L701 PolarHBondContact O-N 2.91Å |
| 698 | M | 69.3 | Low | 65.7 | Low | 96 Ų | 96 | 115 Ų | 115 | 47% | 0.473 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.7 | -43.9 | 170.8 | -88.2 | -93.8 | 70.9 | 0 | 0 | 111.7 | H694 Q695 T696 L701 L702 | H694-M698 WeakPolarHBondContact O-CB 3.5Å; H694-M698 WeakPolarHBondContact O-CG 3.37Å; H694-M698 PolarHBondContact O-N 3.12Å; Q695-M698 PolarHBondContact O-N 3.35Å; T696-M698 VanDerWaalsContact C-N 3.29Å; T696-M698 PolarHBondContact O-N 2.88Å; M698-L701 HydrophobicContact CE-CB 4.27Å; M698-L701 HydrophobicContact CE-CD1 4.07Å; M698-L701 PolarHBondContact O-N 3.44Å; M698-L702 PolarHBondContact O-N 3.07Å |
| 699 | S | 74.2 | Confident | 68.2 | Low | 88 Ų | 88 | 111.6 Ų | 111.6 | 62% | 0.615 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69 | -43.5 | 173.7 | -62.1 | 0 | 0 | 0 | 0 | 111.6 | T696 L701 L702 A703 | T696-S699 PolarHBondContact O-N 2.86Å; S699-L701 PolarHBondContact O-N 2.89Å; S699-L702 PolarHBondContact O-N 3.45Å; S699-A703 PolarHBondContact O-N 3.44Å |
| 700 | Q | 72.5 | Confident | 70.5 | Confident | 102 Ų | 102 | 106.1 Ų | 106.1 | 48% | 0.477 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69 | -20 | 174.4 | -61.4 | 166.9 | -23.8 | 0 | 0 | 112.5 | T696 T697 L704 | T696-Q700 WeakPolarHBondContact O-CG 3.5Å; T696-Q700 PolarHBondContact O-N 2.91Å; T697-Q700 CarbonylContact O-C 3.48Å; T697-Q700 PolarHBondContact O-N 3.29Å; Q700-L704 WeakPolarHBondContact O-CA 3.46Å; Q700-L704 WeakPolarHBondContact O-CB 3.41Å; Q700-L704 WeakPolarHBondContact O-CD1 3.3Å; Q700-L704 WeakPolarHBondContact O-CG 3.47Å; Q700-L704 PolarHBondContact O-N 3.28Å |
| 701 | L | 71.6 | Confident | 72.5 | Confident | 80 Ų | 80 | 107.9 Ų | 107.9 | 42% | 0.419 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -80.3 | -23.8 | 175.2 | -85.1 | 164 | 0 | 0 | 0 | 111.5 | T697 M698 S699 K705 | T697-L701 VanDerWaalsContact O-CA 3.27Å; T697-L701 WeakPolarHBondContact O-CA 3.31Å; T697-L701 WeakPolarHBondContact O-CB 3.43Å; T697-L701 VanDerWaalsContact O-CD1 3.32Å; T697-L701 WeakPolarHBondContact O-CD1 3.29Å; T697-L701 WeakPolarHBondContact O-CG 3.19Å; T697-L701 PolarHBondContact O-N 2.91Å; M698-L701 HydrophobicContact CE-CB 4.27Å; M698-L701 HydrophobicContact CE-CD1 4.07Å; M698-L701 PolarHBondContact O-N 3.44Å; S699-L701 PolarHBondContact O-N 2.89Å; L701-K705 WeakPolarHBondContact O-CA 3.37Å; L701-K705 WeakPolarHBondContact O-CB 3.4Å; L701-K705 PolarHBondContact O-N 2.84Å |
| 702 | L | 79.6 | Confident | 74.5 | Confident | 118 Ų | 118 | 103.2 Ų | 103.2 | 62% | 0.618 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -74.6 | -43.4 | 167.8 | -69.8 | 174.2 | 0 | 0 | 0 | 110.4 | M698 S699 K705 E706 | M698-L702 PolarHBondContact O-N 3.07Å; S699-L702 PolarHBondContact O-N 3.45Å; L702-K705 PolarHBondContact O-N 2.82Å; L702-K705 VanDerWaalsContact O-N 3.17Å; L702-E706 PolarHBondContact O-N 2.66Å |
| 703 | A | 81.1 | Confident | 76.2 | Confident | 58 Ų | 58 | 99.9 Ų | 99.9 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -47.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | S699 K705 E706 E707 | S699-A703 PolarHBondContact O-N 3.44Å; A703-K705 PolarHBondContact O-N 2.78Å; A703-E706 PolarHBondContact O-N 2.94Å; A703-E707 WeakPolarHBondContact O-CG 3.28Å; A703-E707 PolarHBondContact O-N 2.89Å |
| 704 | L | 78.2 | Confident | 77.9 | Confident | 104 Ų | 104 | 99.6 Ų | 99.6 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.8 | -18.9 | 172.1 | -79 | 163.1 | 0 | 0 | 0 | 112.2 | Q700 Y708 | Q700-L704 WeakPolarHBondContact O-CA 3.46Å; Q700-L704 WeakPolarHBondContact O-CB 3.41Å; Q700-L704 WeakPolarHBondContact O-CD1 3.3Å; Q700-L704 WeakPolarHBondContact O-CG 3.47Å; Q700-L704 PolarHBondContact O-N 3.28Å; L704-Y708 WeakPolarHBondContact O-CA 3.45Å; L704-Y708 WeakPolarHBondContact O-CB 3.45Å; L704-Y708 PolarHBondContact O-N 2.84Å |
| 705 | K | 85.7 | Confident | 79.6 | Confident | 119 Ų | 119 | 100.9 Ų | 100.9 | 52% | 0.517 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -77.9 | -42.4 | 170.3 | 179.8 | 175.5 | 178.4 | -171.3 | 0 | 111.1 | L701 L702 A703 E707 Y708 D709 | L701-K705 WeakPolarHBondContact O-CA 3.37Å; L701-K705 WeakPolarHBondContact O-CB 3.4Å; L701-K705 PolarHBondContact O-N 2.84Å; L702-K705 PolarHBondContact O-N 2.82Å; L702-K705 VanDerWaalsContact O-N 3.17Å; A703-K705 PolarHBondContact O-N 2.78Å; K705-E707 VanDerWaalsContact C-N 3.34Å; K705-Y708 PolarHBondContact O-N 3.35Å; K705-D709 VanDerWaalsContact CE-OD2 3.24Å; K705-D709 WeakPolarHBondContact CE-OD2 3.47Å; K705-D709 WeakPolarHBondContact CG-OD2 3.46Å; K705-D709 VanDerWaalsContact O-CB 3.28Å; K705-D709 WeakPolarHBondContact O-CB 3.41Å; K705-D709 VanDerWaalsContact O-CG 3.28Å; K705-D709 PolarHBondContact O-N 2.84Å |
| 706 | E | 85.2 | Confident | 81 | Confident | 134 Ų | 134 | 96.4 Ų | 96.4 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64 | -41.1 | 171.1 | -72.5 | -167.2 | 175.7 | 0 | 0 | 111.6 | L702 A703 K710 | L702-E706 PolarHBondContact O-N 2.66Å; A703-E706 PolarHBondContact O-N 2.94Å; E706-K710 WeakPolarHBondContact O-CD 3.48Å; E706-K710 WeakPolarHBondContact O-CE 3.42Å; E706-K710 WeakPolarHBondContact O-CG 3.49Å; E706-K710 PolarHBondContact O-N 2.95Å |
| 707 | E | 86.3 | Confident | 82.1 | Confident | 106 Ų | 106 | 96.1 Ų | 96.1 | 50% | 0.495 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 172 | -67.5 | -67.8 | 98.9 | 0 | 0 | 111.2 | A703 K705 K710 L711 | A703-E707 WeakPolarHBondContact O-CG 3.28Å; A703-E707 PolarHBondContact O-N 2.89Å; K705-E707 VanDerWaalsContact C-N 3.34Å; E707-K710 WeakPolarHBondContact O-CB 3.46Å; E707-K710 PolarHBondContact O-N 3.35Å; E707-K710 IonicContact OE1-NZ 2.68Å; E707-K710 PolarHBondContact OE1-NZ 3.24Å; E707-L711 WeakPolarHBondContact O-CB 3.22Å; E707-L711 PolarHBondContact O-N 3.19Å |
| 708 | Y | 87.1 | Confident | 83.5 | Confident | 140 Ų | 140 | 100 Ų | 100 | 55% | 0.549 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 177 | 173.3 | -91.3 | 0 | 0 | 0 | 112.1 | L704 K705 K710 L711 K712 | L704-Y708 WeakPolarHBondContact O-CA 3.45Å; L704-Y708 WeakPolarHBondContact O-CB 3.45Å; L704-Y708 PolarHBondContact O-N 2.84Å; K705-Y708 PolarHBondContact O-N 3.35Å; Y708-K710 VanDerWaalsContact C-N 3.33Å; Y708-L711 CarbonylContact O-C 3.58Å; Y708-L711 PolarHBondContact O-N 2.92Å; Y708-K712 HydrophobicContact CE1-CB 4.41Å; Y708-K712 HydrophobicContact CE1-CD 3.89Å; Y708-K712 WeakPolarHBondContact O-CA 3.3Å; Y708-K712 WeakPolarHBondContact O-CB 3.24Å; Y708-K712 PolarHBondContact O-N 3.23Å |
| 709 | D | 86.6 | Confident | 84.4 | Confident | 80 Ų | 80 | 97.3 Ų | 97.3 | 43% | 0.428 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.8 | -32.7 | 177.9 | -72.5 | -26.4 | 0 | 0 | 0 | 110.2 | K705 A713 | K705-D709 VanDerWaalsContact CE-OD2 3.24Å; K705-D709 WeakPolarHBondContact CE-OD2 3.47Å; K705-D709 WeakPolarHBondContact CG-OD2 3.46Å; K705-D709 VanDerWaalsContact O-CB 3.28Å; K705-D709 WeakPolarHBondContact O-CB 3.41Å; K705-D709 VanDerWaalsContact O-CG 3.28Å; K705-D709 PolarHBondContact O-N 2.84Å; D709-A713 WeakPolarHBondContact O-CB 3.44Å; D709-A713 PolarHBondContact O-N 3.47Å |
| 710 | K | 87.7 | Confident | 84.9 | Confident | 106 Ų | 106 | 96.6 Ų | 96.6 | 46% | 0.461 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.1 | -48.4 | 166.7 | -67.1 | 165.2 | -150.2 | 163.5 | 0 | 112.3 | E706 E707 Y708 K712 A713 L714 | E706-K710 WeakPolarHBondContact O-CD 3.48Å; E706-K710 WeakPolarHBondContact O-CE 3.42Å; E706-K710 WeakPolarHBondContact O-CG 3.49Å; E706-K710 PolarHBondContact O-N 2.95Å; E707-K710 WeakPolarHBondContact O-CB 3.46Å; E707-K710 PolarHBondContact O-N 3.35Å; E707-K710 IonicContact OE1-NZ 2.68Å; E707-K710 PolarHBondContact OE1-NZ 3.24Å; Y708-K710 VanDerWaalsContact C-N 3.33Å; K710-K712 PolarHBondContact O-N 3.17Å; K710-A713 PolarHBondContact O-N 2.97Å; K710-L714 WeakPolarHBondContact O-CG 3.45Å; K710-L714 PolarHBondContact O-N 2.79Å |
| 711 | L | 87.9 | Confident | 85.7 | Confident | 120 Ų | 120 | 96.6 Ų | 96.6 | 63% | 0.628 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.6 | -27.7 | -178 | -151.7 | 78.1 | 0 | 0 | 0 | 111 | E707 Y708 H715 | E707-L711 WeakPolarHBondContact O-CB 3.22Å; E707-L711 PolarHBondContact O-N 3.19Å; Y708-L711 CarbonylContact O-C 3.58Å; Y708-L711 PolarHBondContact O-N 2.92Å; L711-H715 WeakPolarHBondContact O-CA 3.35Å; L711-H715 WeakPolarHBondContact O-CB 3.43Å; L711-H715 PolarHBondContact O-N 2.8Å |
| 712 | K | 90.1 | Very high | 86.4 | Confident | 89 Ų | 89 | 94.9 Ų | 94.9 | 39% | 0.387 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -75.8 | -42.2 | 170.6 | -178.6 | 172.7 | 179.2 | 178 | 0 | 111.4 | Y708 K710 L714 H715 D716 | Y708-K712 HydrophobicContact CE1-CB 4.41Å; Y708-K712 HydrophobicContact CE1-CD 3.89Å; Y708-K712 WeakPolarHBondContact O-CA 3.3Å; Y708-K712 WeakPolarHBondContact O-CB 3.24Å; Y708-K712 PolarHBondContact O-N 3.23Å; K710-K712 PolarHBondContact O-N 3.17Å; K712-L714 VanDerWaalsContact C-N 3.26Å; K712-L714 PolarHBondContact O-N 2.73Å; K712-H715 PolarHBondContact O-N 3.27Å; K712-D716 WeakPolarHBondContact CE-OD2 3.46Å; K712-D716 WeakPolarHBondContact CG-OD2 3.39Å; K712-D716 WeakPolarHBondContact O-CB 3.28Å; K712-D716 PolarHBondContact O-N 3.29Å |
| 713 | A | 87.6 | Confident | 86.9 | Confident | 65 Ų | 65 | 93.3 Ų | 93.3 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.7 | -38.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D709 K710 S717 | D709-A713 WeakPolarHBondContact O-CB 3.44Å; D709-A713 PolarHBondContact O-N 3.47Å; K710-A713 PolarHBondContact O-N 2.97Å; A713-S717 WeakPolarHBondContact O-CB 3.4Å; A713-S717 PolarHBondContact O-N 2.88Å |
| 714 | L | 88.7 | Confident | 87.3 | Confident | 109 Ų | 109 | 95.7 Ų | 95.7 | 57% | 0.571 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.7 | -44.9 | 172.7 | -72 | 171.7 | 0 | 0 | 0 | 112.3 | K710 K712 S717 E718 | K710-L714 WeakPolarHBondContact O-CG 3.45Å; K710-L714 PolarHBondContact O-N 2.79Å; K712-L714 VanDerWaalsContact C-N 3.26Å; K712-L714 PolarHBondContact O-N 2.73Å; L714-S717 CarbonylContact O-C 3.59Å; L714-S717 WeakPolarHBondContact O-CB 3.39Å; L714-S717 PolarHBondContact O-N 2.75Å; L714-E718 VanDerWaalsContact O-CB 3.3Å; L714-E718 WeakPolarHBondContact O-CB 3.45Å; L714-E718 PolarHBondContact O-N 2.73Å |
| 715 | H | 88.9 | Confident | 87.9 | Confident | 113 Ų | 113 | 95.2 Ų | 95.2 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 176.6 | 168.8 | -85.6 | 0 | 0 | 0 | 112 | L711 K712 S717 E718 S719 | L711-H715 WeakPolarHBondContact O-CA 3.35Å; L711-H715 WeakPolarHBondContact O-CB 3.43Å; L711-H715 PolarHBondContact O-N 2.8Å; K712-H715 PolarHBondContact O-N 3.27Å; H715-S717 VanDerWaalsContact C-N 3.3Å; H715-E718 PolarHBondContact O-N 2.88Å; H715-S719 WeakPolarHBondContact O-CA 3.46Å; H715-S719 WeakPolarHBondContact O-CB 3.36Å; H715-S719 PolarHBondContact O-N 3.42Å |
| 716 | D | 88.1 | Confident | 88.1 | Confident | 71 Ų | 71 | 94.9 Ų | 94.9 | 38% | 0.38 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.9 | -30.1 | 179.6 | -64.7 | -9.2 | 0 | 0 | 0 | 109.8 | K712 S720 | K712-D716 WeakPolarHBondContact CE-OD2 3.46Å; K712-D716 WeakPolarHBondContact CG-OD2 3.39Å; K712-D716 WeakPolarHBondContact O-CB 3.28Å; K712-D716 PolarHBondContact O-N 3.29Å; D716-S720 VanDerWaalsContact O-CB 3.22Å; D716-S720 WeakPolarHBondContact O-CB 3.41Å; D716-S720 PolarHBondContact O-N 3.17Å; D716-S720 PolarHBondContact O-OG 3.31Å |
| 717 | S | 87.6 | Confident | 88.3 | Confident | 76 Ų | 76 | 92.2 Ų | 92.2 | 53% | 0.531 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.3 | -49.8 | 166.7 | 173.3 | 0 | 0 | 0 | 0 | 112.7 | A713 L714 H715 S720 Q721 | A713-S717 WeakPolarHBondContact O-CB 3.4Å; A713-S717 PolarHBondContact O-N 2.88Å; L714-S717 CarbonylContact O-C 3.59Å; L714-S717 WeakPolarHBondContact O-CB 3.39Å; L714-S717 PolarHBondContact O-N 2.75Å; H715-S717 VanDerWaalsContact C-N 3.3Å; S717-S720 WeakPolarHBondContact O-CB 3.45Å; S717-S720 PolarHBondContact O-N 3.02Å; S717-Q721 PolarHBondContact O-N 3.47Å |
| 718 | E | 89.7 | Confident | 88.5 | Confident | 125 Ų | 125 | 92.6 Ų | 92.6 | 58% | 0.584 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -71.8 | -32.6 | -178.5 | -176.6 | 167.4 | -148.2 | 0 | 0 | 112 | L714 H715 Q721 S722 | L714-E718 VanDerWaalsContact O-CB 3.3Å; L714-E718 WeakPolarHBondContact O-CB 3.45Å; L714-E718 PolarHBondContact O-N 2.73Å; H715-E718 PolarHBondContact O-N 2.88Å; E718-Q721 CarbonylContact O-C 3.59Å; E718-Q721 PolarHBondContact O-N 2.99Å; E718-S722 WeakPolarHBondContact O-CB 3.35Å; E718-S722 PolarHBondContact O-N 3.19Å; E718-S722 PolarHBondContact O-OG 3.39Å |
| 719 | S | 88.5 | Confident | 88.8 | Confident | 41 Ų | 41 | 91 Ų | 91 | 29% | 0.287 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.9 | -43 | 168.9 | -179.5 | 0 | 0 | 0 | 0 | 110.2 | H715 Q721 S722 N723 | H715-S719 WeakPolarHBondContact O-CA 3.46Å; H715-S719 WeakPolarHBondContact O-CB 3.36Å; H715-S719 PolarHBondContact O-N 3.42Å; S719-Q721 VanDerWaalsContact C-N 3.33Å; S719-Q721 PolarHBondContact O-N 3.09Å; S719-S722 PolarHBondContact O-N 3Å; S719-N723 VanDerWaalsContact O-CB 3.25Å; S719-N723 WeakPolarHBondContact O-CB 3.37Å; S719-N723 PolarHBondContact O-N 3.48Å; S719-N723 PolarHBondContact O-ND2 2.6Å; S719-N723 PolarHBondContact OG-ND2 2.93Å |
| 720 | S | 85.2 | Confident | 89 | Confident | 72 Ų | 72 | 89 Ų | 89 | 50% | 0.503 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 171 | -63 | 0 | 0 | 0 | 0 | 111.7 | D716 S717 L724 | D716-S720 VanDerWaalsContact O-CB 3.22Å; D716-S720 WeakPolarHBondContact O-CB 3.41Å; D716-S720 PolarHBondContact O-N 3.17Å; D716-S720 PolarHBondContact O-OG 3.31Å; S717-S720 WeakPolarHBondContact O-CB 3.45Å; S717-S720 PolarHBondContact O-N 3.02Å; S720-L724 WeakPolarHBondContact O-CB 3.5Å; S720-L724 WeakPolarHBondContact O-CG 3.2Å; S720-L724 PolarHBondContact O-N 3.39Å |
| 721 | Q | 89.4 | Confident | 89.2 | Confident | 102 Ų | 102 | 90.1 Ų | 90.1 | 48% | 0.477 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68 | -34.2 | 176 | -159 | -167.9 | 40.6 | 0 | 0 | 112.7 | S717 E718 S719 K725 | S717-Q721 PolarHBondContact O-N 3.47Å; E718-Q721 CarbonylContact O-C 3.59Å; E718-Q721 PolarHBondContact O-N 2.99Å; S719-Q721 VanDerWaalsContact C-N 3.33Å; S719-Q721 PolarHBondContact O-N 3.09Å; Q721-K725 VanDerWaalsContact O-CG 3.29Å; Q721-K725 WeakPolarHBondContact O-CG 3.46Å; Q721-K725 PolarHBondContact O-N 3.35Å; Q721-K725 VanDerWaalsContact OE1-NZ 3.13Å |
| 722 | S | 85.5 | Confident | 89.4 | Confident | 45 Ų | 45 | 87.9 Ų | 87.9 | 32% | 0.315 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -76.3 | -35.4 | 178.1 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | E718 S719 K725 L726 | E718-S722 WeakPolarHBondContact O-CB 3.35Å; E718-S722 PolarHBondContact O-N 3.19Å; E718-S722 PolarHBondContact O-OG 3.39Å; S719-S722 PolarHBondContact O-N 3Å; S722-K725 PolarHBondContact O-N 3.06Å; S722-L726 VanDerWaalsContact O-CB 3.31Å; S722-L726 WeakPolarHBondContact O-CB 3.48Å; S722-L726 VanDerWaalsContact O-CG 3.22Å; S722-L726 WeakPolarHBondContact O-CG 3.38Å; S722-L726 PolarHBondContact O-N 2.91Å |
| 723 | N | 89.7 | Confident | 89.4 | Confident | 85 Ų | 85 | 88.9 Ų | 88.9 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.1 | -38 | 170.6 | -71.8 | -42.1 | 0 | 0 | 0 | 111.2 | S719 L726 T727 | S719-N723 VanDerWaalsContact O-CB 3.25Å; S719-N723 WeakPolarHBondContact O-CB 3.37Å; S719-N723 PolarHBondContact O-N 3.48Å; S719-N723 PolarHBondContact O-ND2 2.6Å; S719-N723 PolarHBondContact OG-ND2 2.93Å; N723-L726 PolarHBondContact O-N 3.06Å; N723-T727 WeakPolarHBondContact O-CB 3.27Å; N723-T727 PolarHBondContact O-N 3.44Å; N723-T727 PolarHBondContact O-OG1 3.14Å |
| 724 | L | 89.2 | Confident | 89.7 | Confident | 108 Ų | 108 | 92 Ų | 92 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.3 | -51.5 | 169 | -76.6 | 166.7 | 0 | 0 | 0 | 111.1 | S720 L726 T727 E728 | S720-L724 WeakPolarHBondContact O-CB 3.5Å; S720-L724 WeakPolarHBondContact O-CG 3.2Å; S720-L724 PolarHBondContact O-N 3.39Å; L724-L726 VanDerWaalsContact C-N 3.3Å; L724-L726 PolarHBondContact O-N 3.13Å; L724-T727 CarbonylContact O-C 3.57Å; L724-T727 WeakPolarHBondContact O-CA 3.41Å; L724-T727 WeakPolarHBondContact O-CB 3.44Å; L724-T727 PolarHBondContact O-N 3.35Å; L724-E728 WeakPolarHBondContact O-CG 3.46Å; L724-E728 PolarHBondContact O-N 3.05Å |
| 725 | K | 91 | Very high | 89.8 | Confident | 94 Ų | 94 | 89.6 Ų | 89.6 | 41% | 0.409 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59 | -36.7 | 175 | -71.6 | 164.6 | -175.5 | 163.6 | 0 | 113.1 | Q721 S722 T727 L729 | Q721-K725 VanDerWaalsContact O-CG 3.29Å; Q721-K725 WeakPolarHBondContact O-CG 3.46Å; Q721-K725 PolarHBondContact O-N 3.35Å; Q721-K725 VanDerWaalsContact OE1-NZ 3.13Å; S722-K725 PolarHBondContact O-N 3.06Å; K725-T727 VanDerWaalsContact C-N 3.34Å; K725-L729 VanDerWaalsContact O-CB 3.26Å; K725-L729 WeakPolarHBondContact O-CB 3.29Å; K725-L729 WeakPolarHBondContact O-CG 3.3Å; K725-L729 PolarHBondContact O-N 3.37Å |
| 726 | L | 90.6 | Very high | 90 | Very high | 111 Ų | 111 | 90.8 Ų | 90.8 | 58% | 0.581 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -71.2 | -29.5 | 174.7 | -75.8 | 169.2 | 0 | 0 | 0 | 112.1 | S722 N723 L724 G730 | S722-L726 VanDerWaalsContact O-CB 3.31Å; S722-L726 WeakPolarHBondContact O-CB 3.48Å; S722-L726 VanDerWaalsContact O-CG 3.22Å; S722-L726 WeakPolarHBondContact O-CG 3.38Å; S722-L726 PolarHBondContact O-N 2.91Å; N723-L726 PolarHBondContact O-N 3.06Å; L724-L726 VanDerWaalsContact C-N 3.3Å; L724-L726 PolarHBondContact O-N 3.13Å; L726-G730 PolarHBondContact O-N 3.43Å |
| 727 | T | 89.9 | Confident | 90.2 | Very high | 79 Ų | 79 | 92.3 Ų | 92.3 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -72.4 | -46.2 | 172.6 | -51.3 | 0 | 0 | 0 | 0 | 110.1 | N723 L724 K725 L729 G730 E731 | N723-T727 WeakPolarHBondContact O-CB 3.27Å; N723-T727 PolarHBondContact O-N 3.44Å; N723-T727 PolarHBondContact O-OG1 3.14Å; L724-T727 CarbonylContact O-C 3.57Å; L724-T727 WeakPolarHBondContact O-CA 3.41Å; L724-T727 WeakPolarHBondContact O-CB 3.44Å; L724-T727 PolarHBondContact O-N 3.35Å; K725-T727 VanDerWaalsContact C-N 3.34Å; T727-L729 VanDerWaalsContact C-N 3.34Å; T727-L729 PolarHBondContact O-N 2.95Å; T727-G730 CarbonylContact O-C 3.53Å; T727-G730 WeakPolarHBondContact O-CA 3.34Å; T727-G730 PolarHBondContact O-N 3.03Å; T727-E731 WeakPolarHBondContact O-CG 3.48Å; T727-E731 PolarHBondContact O-N 3.23Å |
| 728 | E | 90.4 | Very high | 90.4 | Very high | 114 Ų | 114 | 92.5 Ų | 92.5 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.7 | -41 | 172.8 | -68.1 | 167.7 | 178.2 | 0 | 0 | 112 | L724 T732 | L724-E728 WeakPolarHBondContact O-CG 3.46Å; L724-E728 PolarHBondContact O-N 3.05Å; E728-T732 WeakPolarHBondContact O-CB 3.44Å; E728-T732 WeakPolarHBondContact O-CG2 3.49Å; E728-T732 PolarHBondContact O-N 3.17Å; E728-T732 PolarHBondContact O-OG1 2.81Å |
| 729 | L | 91.4 | Very high | 90.5 | Very high | 107 Ų | 107 | 91.4 Ų | 91.4 | 56% | 0.56 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.7 | -36.3 | 172.2 | -75.5 | 169.3 | 0 | 0 | 0 | 111.9 | K725 T727 T732 L733 | K725-L729 VanDerWaalsContact O-CB 3.26Å; K725-L729 WeakPolarHBondContact O-CB 3.29Å; K725-L729 WeakPolarHBondContact O-CG 3.3Å; K725-L729 PolarHBondContact O-N 3.37Å; T727-L729 VanDerWaalsContact C-N 3.34Å; T727-L729 PolarHBondContact O-N 2.95Å; L729-T732 WeakPolarHBondContact CA-OG1 3.41Å; L729-T732 PolarHBondContact O-OG1 2.73Å; L729-L733 WeakPolarHBondContact O-CB 3.26Å; L729-L733 PolarHBondContact O-N 3.36Å |
| 730 | G | 92.3 | Very high | 90.7 | Very high | 37 Ų | 37 | 93.4 Ų | 93.4 | 38% | 0.381 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L726 T727 K734 | L726-G730 PolarHBondContact O-N 3.43Å; T727-G730 CarbonylContact O-C 3.53Å; T727-G730 WeakPolarHBondContact O-CA 3.34Å; T727-G730 PolarHBondContact O-N 3.03Å; G730-K734 VanDerWaalsContact O-CB 3.23Å; G730-K734 WeakPolarHBondContact O-CB 3.42Å; G730-K734 PolarHBondContact O-N 3.18Å |
| 731 | E | 91.6 | Very high | 91 | Very high | 129 Ų | 129 | 92.7 Ų | 92.7 | 60% | 0.603 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.8 | -42.3 | 176.1 | -73.2 | -178.1 | 175.7 | 0 | 0 | 111.8 | T727 K734 A735 | T727-E731 WeakPolarHBondContact O-CG 3.48Å; T727-E731 PolarHBondContact O-N 3.23Å; E731-K734 PolarHBondContact O-N 3.4Å; E731-A735 WeakPolarHBondContact O-CB 3.49Å; E731-A735 PolarHBondContact O-N 3.41Å |
| 732 | T | 91.2 | Very high | 91.1 | Very high | 73 Ų | 73 | 92.5 Ų | 92.5 | 45% | 0.448 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.3 | -31 | 176 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | E728 L729 K736 | E728-T732 WeakPolarHBondContact O-CB 3.44Å; E728-T732 WeakPolarHBondContact O-CG2 3.49Å; E728-T732 PolarHBondContact O-N 3.17Å; E728-T732 PolarHBondContact O-OG1 2.81Å; L729-T732 WeakPolarHBondContact CA-OG1 3.41Å; L729-T732 PolarHBondContact O-OG1 2.73Å; T732-K736 WeakPolarHBondContact O-CB 3.37Å; T732-K736 VanDerWaalsContact O-CG 3.28Å; T732-K736 WeakPolarHBondContact O-CG 3.39Å; T732-K736 PolarHBondContact O-N 3.46Å |
| 733 | L | 91.9 | Very high | 91.4 | Very high | 110 Ų | 110 | 94.2 Ų | 94.2 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68 | -42.1 | 169.2 | -169.6 | 82.4 | 0 | 0 | 0 | 110.7 | L729 K736 N737 | L729-L733 WeakPolarHBondContact O-CB 3.26Å; L729-L733 PolarHBondContact O-N 3.36Å; L733-K736 PolarHBondContact O-N 3.06Å; L733-N737 PolarHBondContact O-N 2.99Å |
| 734 | K | 93 | Very high | 91.5 | Very high | 132 Ų | 132 | 94.2 Ų | 94.2 | 57% | 0.574 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.3 | -49.5 | 174.7 | -174.5 | -172.8 | 171.7 | -170.1 | 0 | 110.9 | G730 E731 K736 N737 D738 | G730-K734 VanDerWaalsContact O-CB 3.23Å; G730-K734 WeakPolarHBondContact O-CB 3.42Å; G730-K734 PolarHBondContact O-N 3.18Å; E731-K734 PolarHBondContact O-N 3.4Å; K734-K736 PolarHBondContact O-N 3.5Å; K734-N737 CarbonylContact O-C 3.53Å; K734-N737 PolarHBondContact O-N 3.16Å; K734-D738 WeakPolarHBondContact O-CB 3.27Å; K734-D738 VanDerWaalsContact O-CG 3.26Å; K734-D738 PolarHBondContact O-N 3.32Å |
| 735 | A | 90.9 | Very high | 91.6 | Very high | 57 Ų | 57 | 92.4 Ų | 92.4 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.3 | -33.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E731 L739 | E731-A735 WeakPolarHBondContact O-CB 3.49Å; E731-A735 PolarHBondContact O-N 3.41Å; A735-L739 VanDerWaalsContact O-CB 3.28Å; A735-L739 WeakPolarHBondContact O-CB 3.18Å; A735-L739 PolarHBondContact O-N 3.4Å |
| 736 | K | 92.1 | Very high | 91.6 | Very high | 138 Ų | 138 | 93.4 Ų | 93.4 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.8 | -40.3 | 171.3 | -76.8 | 172.5 | 179.3 | 178.2 | 0 | 112.9 | T732 L733 K734 L739 V740 | T732-K736 WeakPolarHBondContact O-CB 3.37Å; T732-K736 VanDerWaalsContact O-CG 3.28Å; T732-K736 WeakPolarHBondContact O-CG 3.39Å; T732-K736 PolarHBondContact O-N 3.46Å; L733-K736 PolarHBondContact O-N 3.06Å; K734-K736 PolarHBondContact O-N 3.5Å; K736-L739 PolarHBondContact O-N 3.23Å; K736-V740 WeakPolarHBondContact O-CB 3.3Å; K736-V740 VanDerWaalsContact O-CG2 3.31Å; K736-V740 WeakPolarHBondContact O-CG2 3.49Å; K736-V740 PolarHBondContact O-N 3.26Å |
| 737 | N | 92.3 | Very high | 91.6 | Very high | 103 Ų | 103 | 93.1 Ų | 93.1 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.6 | -41.5 | 173.1 | -86.3 | -0 | 0 | 0 | 0 | 111.8 | L733 K734 L739 V740 A741 | L733-N737 PolarHBondContact O-N 2.99Å; K734-N737 CarbonylContact O-C 3.53Å; K734-N737 PolarHBondContact O-N 3.16Å; N737-L739 VanDerWaalsContact C-N 3.32Å; N737-L739 PolarHBondContact O-N 3.48Å; N737-V740 PolarHBondContact O-N 3.17Å; N737-A741 VanDerWaalsContact O-CB 3.31Å; N737-A741 WeakPolarHBondContact O-CB 3.43Å; N737-A741 PolarHBondContact O-N 3.36Å |
| 738 | D | 91.6 | Very high | 91.7 | Very high | 81 Ų | 81 | 94.3 Ų | 94.3 | 43% | 0.433 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -38 | 175.5 | -64.9 | -20.9 | 0 | 0 | 0 | 110.2 | K734 N742 | K734-D738 WeakPolarHBondContact O-CB 3.27Å; K734-D738 VanDerWaalsContact O-CG 3.26Å; K734-D738 PolarHBondContact O-N 3.32Å; D738-N742 WeakPolarHBondContact O-CB 3.14Å; D738-N742 VanDerWaalsContact O-CG 3.28Å; D738-N742 PolarHBondContact O-N 2.94Å; D738-N742 PolarHBondContact O-ND2 3.17Å |
| 739 | L | 92.9 | Very high | 91.6 | Very high | 101 Ų | 101 | 92 Ų | 92 | 53% | 0.529 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.8 | -44.5 | 171.7 | 178.7 | 62.4 | 0 | 0 | 0 | 112.5 | A735 K736 N737 N742 L743 | A735-L739 VanDerWaalsContact O-CB 3.28Å; A735-L739 WeakPolarHBondContact O-CB 3.18Å; A735-L739 PolarHBondContact O-N 3.4Å; K736-L739 PolarHBondContact O-N 3.23Å; N737-L739 VanDerWaalsContact C-N 3.32Å; N737-L739 PolarHBondContact O-N 3.48Å; L739-N742 PolarHBondContact O-N 3.14Å; L739-L743 HydrophobicContact CD1-CD1 4.21Å; L739-L743 HydrophobicContact CD1-CG 4.37Å; L739-L743 HydrophobicContact CG-CD1 4.04Å; L739-L743 WeakPolarHBondContact O-CB 3.42Å; L739-L743 WeakPolarHBondContact O-CG 3.34Å; L739-L743 PolarHBondContact O-N 3.11Å |
| 740 | V | 92.9 | Very high | 91.5 | Very high | 83 Ų | 83 | 91.1 Ų | 91.1 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 176.4 | 168.4 | 0 | 0 | 0 | 0 | 110.8 | K736 N737 L743 T744 | K736-V740 WeakPolarHBondContact O-CB 3.3Å; K736-V740 VanDerWaalsContact O-CG2 3.31Å; K736-V740 WeakPolarHBondContact O-CG2 3.49Å; K736-V740 PolarHBondContact O-N 3.26Å; N737-V740 PolarHBondContact O-N 3.17Å; V740-L743 PolarHBondContact O-N 2.93Å; V740-T744 WeakPolarHBondContact O-CB 3.33Å; V740-T744 PolarHBondContact O-N 2.86Å; V740-T744 PolarHBondContact O-OG1 3.16Å |
| 741 | A | 90.5 | Very high | 91.4 | Very high | 58 Ų | 58 | 92.6 Ų | 92.6 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N737 T744 S745 | N737-A741 VanDerWaalsContact O-CB 3.31Å; N737-A741 WeakPolarHBondContact O-CB 3.43Å; N737-A741 PolarHBondContact O-N 3.36Å; A741-T744 PolarHBondContact O-N 3.26Å; A741-S745 WeakPolarHBondContact O-CB 3.49Å; A741-S745 PolarHBondContact O-N 3.02Å |
| 742 | N | 92.2 | Very high | 91.2 | Very high | 97 Ų | 97 | 90.3 Ų | 90.3 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 173.6 | -77.2 | -49.1 | 0 | 0 | 0 | 112.2 | D738 L739 S745 Q746 | D738-N742 WeakPolarHBondContact O-CB 3.14Å; D738-N742 VanDerWaalsContact O-CG 3.28Å; D738-N742 PolarHBondContact O-N 2.94Å; D738-N742 PolarHBondContact O-ND2 3.17Å; L739-N742 PolarHBondContact O-N 3.14Å; N742-S745 PolarHBondContact O-N 2.68Å; N742-Q746 WeakPolarHBondContact O-CB 3.36Å; N742-Q746 VanDerWaalsContact O-CG 3.3Å; N742-Q746 WeakPolarHBondContact O-CG 3.35Å; N742-Q746 PolarHBondContact O-N 3.1Å |
| 743 | L | 91.8 | Very high | 91.1 | Very high | 81 Ų | 81 | 92.4 Ų | 92.4 | 42% | 0.424 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 175.8 | -75.1 | 166.4 | 0 | 0 | 0 | 111.9 | L739 V740 S745 Q746 I747 | L739-L743 HydrophobicContact CD1-CD1 4.21Å; L739-L743 HydrophobicContact CD1-CG 4.37Å; L739-L743 HydrophobicContact CG-CD1 4.04Å; L739-L743 WeakPolarHBondContact O-CB 3.42Å; L739-L743 WeakPolarHBondContact O-CG 3.34Å; L739-L743 PolarHBondContact O-N 3.11Å; V740-L743 PolarHBondContact O-N 2.93Å; L743-S745 VanDerWaalsContact C-N 3.32Å; L743-S745 PolarHBondContact O-N 3.38Å; L743-Q746 PolarHBondContact O-N 3.38Å; L743-I747 WeakPolarHBondContact O-CB 3.38Å; L743-I747 VanDerWaalsContact O-CG1 3.28Å; L743-I747 WeakPolarHBondContact O-CG1 3.48Å; L743-I747 PolarHBondContact O-N 3.24Å |
| 744 | T | 92.5 | Very high | 90.8 | Very high | 86 Ų | 86 | 94 Ų | 94 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 173.2 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | V740 A741 I747 Q748 | V740-T744 WeakPolarHBondContact O-CB 3.33Å; V740-T744 PolarHBondContact O-N 2.86Å; V740-T744 PolarHBondContact O-OG1 3.16Å; A741-T744 PolarHBondContact O-N 3.26Å; T744-I747 PolarHBondContact O-N 3.29Å; T744-Q748 WeakPolarHBondContact O-CB 3.47Å; T744-Q748 PolarHBondContact O-N 3.26Å |
| 745 | S | 91.2 | Very high | 90.7 | Very high | 69 Ų | 69 | 93 Ų | 93 | 48% | 0.483 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 175.2 | -169.4 | 0 | 0 | 0 | 0 | 112.1 | A741 N742 L743 Q748 T749 | A741-S745 WeakPolarHBondContact O-CB 3.49Å; A741-S745 PolarHBondContact O-N 3.02Å; N742-S745 PolarHBondContact O-N 2.68Å; L743-S745 VanDerWaalsContact C-N 3.32Å; L743-S745 PolarHBondContact O-N 3.38Å; S745-Q748 PolarHBondContact O-N 2.76Å; S745-T749 PolarHBondContact O-N 2.78Å; S745-T749 PolarHBondContact O-OG1 2.95Å |
| 746 | Q | 91.1 | Very high | 90.5 | Very high | 116 Ų | 116 | 92.9 Ų | 92.9 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | 176 | -75.2 | 171.5 | -1.6 | 0 | 0 | 111.9 | N742 L743 T749 L750 | N742-Q746 WeakPolarHBondContact O-CB 3.36Å; N742-Q746 VanDerWaalsContact O-CG 3.3Å; N742-Q746 WeakPolarHBondContact O-CG 3.35Å; N742-Q746 PolarHBondContact O-N 3.1Å; L743-Q746 PolarHBondContact O-N 3.38Å; Q746-T749 PolarHBondContact O-N 2.79Å; Q746-L750 WeakPolarHBondContact O-CB 3.32Å; Q746-L750 WeakPolarHBondContact O-CG 3.49Å; Q746-L750 PolarHBondContact O-N 3.33Å |
| 747 | I | 90.9 | Very high | 90.2 | Very high | 104 Ų | 104 | 90.6 Ų | 90.6 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 174.3 | -69.7 | 164.7 | 0 | 0 | 0 | 110.4 | L743 T744 L750 C751 | L743-I747 WeakPolarHBondContact O-CB 3.38Å; L743-I747 VanDerWaalsContact O-CG1 3.28Å; L743-I747 WeakPolarHBondContact O-CG1 3.48Å; L743-I747 PolarHBondContact O-N 3.24Å; T744-I747 PolarHBondContact O-N 3.29Å; I747-L750 PolarHBondContact O-N 3.48Å; I747-C751 PolarHBondContact O-N 2.97Å; I747-C751 PolarHBondContact O-SG 3.11Å |
| 748 | Q | 90.8 | Very high | 90 | Very high | 105 Ų | 105 | 91.1 Ų | 91.1 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.4 | -47 | 175.4 | -172.8 | 63.6 | 53.4 | 0 | 0 | 111.4 | T744 S745 L750 C751 D752 | T744-Q748 WeakPolarHBondContact O-CB 3.47Å; T744-Q748 PolarHBondContact O-N 3.26Å; S745-Q748 PolarHBondContact O-N 2.76Å; Q748-L750 VanDerWaalsContact C-N 3.31Å; Q748-L750 PolarHBondContact O-N 3.23Å; Q748-C751 WeakPolarHBondContact O-CB 3.26Å; Q748-C751 PolarHBondContact O-N 2.82Å; Q748-C751 VanDerWaalsContact O-N 3.1Å; Q748-D752 PolarHBondContact NE2-OD1 3.38Å; Q748-D752 PolarHBondContact O-N 3.41Å |
| 749 | T | 89.4 | Confident | 89.8 | Confident | 64 Ų | 64 | 91.3 Ų | 91.3 | 39% | 0.393 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.6 | -40.8 | 176.7 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | S745 Q746 D752 E753 | S745-T749 PolarHBondContact O-N 2.78Å; S745-T749 PolarHBondContact O-OG1 2.95Å; Q746-T749 PolarHBondContact O-N 2.79Å; T749-D752 PolarHBondContact O-N 2.94Å; T749-E753 HydrophobicContact CG2-CG 4.5Å; T749-E753 WeakPolarHBondContact O-CB 3.39Å; T749-E753 VanDerWaalsContact O-CG 3.3Å; T749-E753 WeakPolarHBondContact O-CG 3.46Å; T749-E753 PolarHBondContact O-N 2.87Å |
| 750 | L | 88.7 | Confident | 89.6 | Confident | 90 Ų | 90 | 87.7 Ų | 87.7 | 47% | 0.471 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 174 | -74.8 | 170.2 | 0 | 0 | 0 | 112.3 | Q746 I747 Q748 E753 F754 | Q746-L750 WeakPolarHBondContact O-CB 3.32Å; Q746-L750 WeakPolarHBondContact O-CG 3.49Å; Q746-L750 PolarHBondContact O-N 3.33Å; I747-L750 PolarHBondContact O-N 3.48Å; Q748-L750 VanDerWaalsContact C-N 3.31Å; Q748-L750 PolarHBondContact O-N 3.23Å; L750-E753 PolarHBondContact O-N 3.35Å; L750-F754 WeakPolarHBondContact O-CB 3.44Å; L750-F754 WeakPolarHBondContact O-CD2 3.5Å; L750-F754 PolarHBondContact O-N 3.39Å |
| 751 | C | 89.3 | Confident | 89.3 | Confident | 67 Ų | 67 | 88.7 Ų | 88.7 | 45% | 0.453 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 173.7 | -70.9 | 0 | 0 | 0 | 0 | 111.9 | I747 Q748 E753 F754 Q755 | I747-C751 PolarHBondContact O-N 2.97Å; I747-C751 PolarHBondContact O-SG 3.11Å; Q748-C751 WeakPolarHBondContact O-CB 3.26Å; Q748-C751 PolarHBondContact O-N 2.82Å; Q748-C751 VanDerWaalsContact O-N 3.1Å; C751-E753 VanDerWaalsContact C-N 3.35Å; C751-F754 PolarHBondContact O-N 2.95Å; C751-Q755 WeakPolarHBondContact O-CB 3.42Å; C751-Q755 PolarHBondContact O-N 3.06Å |
| 752 | D | 88.3 | Confident | 89 | Confident | 82 Ų | 82 | 90.5 Ų | 90.5 | 44% | 0.439 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 177 | -59.4 | -18.7 | 0 | 0 | 0 | 110.9 | Q748 T749 Q755 A756 | Q748-D752 PolarHBondContact NE2-OD1 3.38Å; Q748-D752 PolarHBondContact O-N 3.41Å; T749-D752 PolarHBondContact O-N 2.94Å; D752-Q755 PolarHBondContact O-N 2.83Å; D752-A756 WeakPolarHBondContact O-CB 3.12Å; D752-A756 PolarHBondContact O-N 3.11Å |
| 753 | E | 89 | Confident | 88.7 | Confident | 117 Ų | 117 | 93.7 Ų | 93.7 | 55% | 0.547 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 174.2 | -76.3 | 175.8 | 179.1 | 0 | 0 | 112.2 | T749 L750 C751 A756 L757 | T749-E753 HydrophobicContact CG2-CG 4.5Å; T749-E753 WeakPolarHBondContact O-CB 3.39Å; T749-E753 VanDerWaalsContact O-CG 3.3Å; T749-E753 WeakPolarHBondContact O-CG 3.46Å; T749-E753 PolarHBondContact O-N 2.87Å; L750-E753 PolarHBondContact O-N 3.35Å; C751-E753 VanDerWaalsContact C-N 3.35Å; E753-A756 PolarHBondContact O-N 3.4Å; E753-L757 VanDerWaalsContact O-CB 3.31Å; E753-L757 WeakPolarHBondContact O-CB 3.43Å; E753-L757 PolarHBondContact O-N 3.44Å |
| 754 | F | 86.1 | Confident | 88.3 | Confident | 142 Ų | 142 | 94 Ų | 94 | 62% | 0.623 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.8 | -39.8 | 174.4 | -90.2 | -65.4 | 0 | 0 | 0 | 112.2 | L750 C751 L757 Q758 | L750-F754 WeakPolarHBondContact O-CB 3.44Å; L750-F754 WeakPolarHBondContact O-CD2 3.5Å; L750-F754 PolarHBondContact O-N 3.39Å; C751-F754 PolarHBondContact O-N 2.95Å; F754-L757 PolarHBondContact O-N 2.65Å; F754-Q758 PolarHBondContact O-N 3.38Å |
| 755 | Q | 89.7 | Confident | 87.8 | Confident | 112 Ų | 112 | 98.1 Ų | 98.1 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65 | -46.9 | 174.3 | -177.8 | 176.8 | -27.4 | 0 | 0 | 110.8 | C751 D752 L757 Q758 E759 | C751-Q755 WeakPolarHBondContact O-CB 3.42Å; C751-Q755 PolarHBondContact O-N 3.06Å; D752-Q755 PolarHBondContact O-N 2.83Å; Q755-L757 PolarHBondContact O-N 3.14Å; Q755-Q758 PolarHBondContact O-N 2.87Å; Q755-Q758 VanDerWaalsContact O-N 3.13Å; Q755-E759 HydrophobicContact CG-CG 4.38Å; Q755-E759 WeakPolarHBondContact CG-OE1 3.42Å; Q755-E759 PolarHBondContact NE2-OE1 3.41Å; Q755-E759 WeakPolarHBondContact O-CB 3.49Å; Q755-E759 WeakPolarHBondContact O-CG 3.35Å; Q755-E759 PolarHBondContact O-N 3.46Å |
| 756 | A | 86.6 | Confident | 87.5 | Confident | 55 Ų | 55 | 98.6 Ų | 98.6 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.4 | -32.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | D752 E753 G760 | D752-A756 WeakPolarHBondContact O-CB 3.12Å; D752-A756 PolarHBondContact O-N 3.11Å; E753-A756 PolarHBondContact O-N 3.4Å; A756-G760 PolarHBondContact O-N 2.96Å |
| 757 | L | 87.4 | Confident | 87.2 | Confident | 90 Ų | 90 | 94.2 Ų | 94.2 | 47% | 0.471 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.3 | -43.1 | 173.2 | -169 | 75.3 | 0 | 0 | 0 | 111.8 | E753 F754 Q755 G760 F761 | E753-L757 VanDerWaalsContact O-CB 3.31Å; E753-L757 WeakPolarHBondContact O-CB 3.43Å; E753-L757 PolarHBondContact O-N 3.44Å; F754-L757 PolarHBondContact O-N 2.65Å; Q755-L757 PolarHBondContact O-N 3.14Å; L757-G760 WeakPolarHBondContact O-CA 3.43Å; L757-G760 PolarHBondContact O-N 3.09Å; L757-G760 VanDerWaalsContact O-N 3.15Å; L757-F761 HydrophobicContact CD1-CE2 4.2Å; L757-F761 HydrophobicContact CD1-CZ 4.33Å; L757-F761 HydrophobicContact CD2-CE2 3.9Å; L757-F761 HydrophobicContact CG-CD2 4.19Å; L757-F761 HydrophobicContact CG-CE2 3.65Å; L757-F761 HydrophobicContact CG-CZ 4.27Å; L757-F761 WeakPolarHBondContact O-CD2 3.33Å; L757-F761 PolarHBondContact O-N 2.63Å |
| 758 | Q | 86.5 | Confident | 86.8 | Confident | 113 Ų | 113 | 94.6 Ų | 94.6 | 53% | 0.528 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.8 | -49.2 | 174.7 | 179.1 | 175.9 | -19.9 | 0 | 0 | 111.4 | F754 Q755 G760 F761 E762 | F754-Q758 PolarHBondContact O-N 3.38Å; Q755-Q758 PolarHBondContact O-N 2.87Å; Q755-Q758 VanDerWaalsContact O-N 3.13Å; Q758-G760 PolarHBondContact O-N 2.87Å; Q758-F761 PolarHBondContact O-N 3.39Å; Q758-F761 VanDerWaalsContact O-N 3.1Å; Q758-E762 HydrophobicContact CG-CG 4.41Å; Q758-E762 WeakPolarHBondContact CG-OE1 3.3Å; Q758-E762 PolarHBondContact NE2-OE1 3.47Å; Q758-E762 WeakPolarHBondContact O-CG 3.3Å; Q758-E762 PolarHBondContact O-N 2.93Å |
| 759 | E | 89.1 | Confident | 86.5 | Confident | 86 Ų | 86 | 92 Ų | 92 | 40% | 0.402 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.6 | -28.4 | 173.1 | -70.6 | 176.4 | -165.9 | 0 | 0 | 111.8 | Q755 R763 | Q755-E759 HydrophobicContact CG-CG 4.38Å; Q755-E759 WeakPolarHBondContact CG-OE1 3.42Å; Q755-E759 PolarHBondContact NE2-OE1 3.41Å; Q755-E759 WeakPolarHBondContact O-CB 3.49Å; Q755-E759 WeakPolarHBondContact O-CG 3.35Å; Q755-E759 PolarHBondContact O-N 3.46Å; E759-R763 WeakPolarHBondContact O-CB 3.49Å; E759-R763 WeakPolarHBondContact O-CG 3.28Å; E759-R763 PolarHBondContact O-N 3.32Å; E759-R763 PolarHBondContact O-NE 3.24Å |
| 760 | G | 88.2 | Confident | 86.3 | Confident | 25 Ų | 25 | 91 Ų | 91 | 26% | 0.258 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.7 | -57.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A756 L757 Q758 E762 R763 E764 | A756-G760 PolarHBondContact O-N 2.96Å; L757-G760 WeakPolarHBondContact O-CA 3.43Å; L757-G760 PolarHBondContact O-N 3.09Å; L757-G760 VanDerWaalsContact O-N 3.15Å; Q758-G760 PolarHBondContact O-N 2.87Å; G760-E762 VanDerWaalsContact C-N 3.31Å; G760-E762 PolarHBondContact O-N 3.2Å; G760-R763 PolarHBondContact O-N 3.1Å; G760-E764 PolarHBondContact O-N 3.49Å |
| 761 | F | 85.3 | Confident | 86.1 | Confident | 104 Ų | 104 | 90 Ų | 90 | 46% | 0.456 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.5 | -32.2 | 179.1 | -67.9 | -50.3 | 0 | 0 | 0 | 113.4 | L757 Q758 E764 R765 | L757-F761 HydrophobicContact CD1-CE2 4.2Å; L757-F761 HydrophobicContact CD1-CZ 4.33Å; L757-F761 HydrophobicContact CD2-CE2 3.9Å; L757-F761 HydrophobicContact CG-CD2 4.19Å; L757-F761 HydrophobicContact CG-CE2 3.65Å; L757-F761 HydrophobicContact CG-CZ 4.27Å; L757-F761 WeakPolarHBondContact O-CD2 3.33Å; L757-F761 PolarHBondContact O-N 2.63Å; Q758-F761 PolarHBondContact O-N 3.39Å; Q758-F761 VanDerWaalsContact O-N 3.1Å; F761-E764 PolarHBondContact O-N 3.44Å; F761-R765 WeakPolarHBondContact O-CB 3.5Å; F761-R765 VanDerWaalsContact O-CG 3.24Å; F761-R765 WeakPolarHBondContact O-CG 3.24Å; F761-R765 PolarHBondContact O-N 2.91Å |
| 762 | E | 85.2 | Confident | 85.6 | Confident | 96 Ų | 96 | 89.4 Ų | 89.4 | 45% | 0.449 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.5 | -39.5 | 175.8 | -73.9 | 174.7 | -171.4 | 0 | 0 | 111.7 | Q758 G760 E764 S766 | Q758-E762 HydrophobicContact CG-CG 4.41Å; Q758-E762 WeakPolarHBondContact CG-OE1 3.3Å; Q758-E762 PolarHBondContact NE2-OE1 3.47Å; Q758-E762 WeakPolarHBondContact O-CG 3.3Å; Q758-E762 PolarHBondContact O-N 2.93Å; G760-E762 VanDerWaalsContact C-N 3.31Å; G760-E762 PolarHBondContact O-N 3.2Å; E762-E764 VanDerWaalsContact C-N 3.35Å; E762-S766 VanDerWaalsContact O-CB 3.28Å; E762-S766 WeakPolarHBondContact O-CB 3.35Å; E762-S766 PolarHBondContact O-N 3.38Å |
| 763 | R | 85.5 | Confident | 85.4 | Confident | 163 Ų | 163 | 91.2 Ų | 91.2 | 62% | 0.615 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.2 | -36.8 | 169.7 | -76.4 | 175.2 | -70.6 | 160.4 | -3.4 | 112.5 | E759 G760 C767 | E759-R763 WeakPolarHBondContact O-CB 3.49Å; E759-R763 WeakPolarHBondContact O-CG 3.28Å; E759-R763 PolarHBondContact O-N 3.32Å; E759-R763 PolarHBondContact O-NE 3.24Å; G760-R763 PolarHBondContact O-N 3.1Å; R763-C767 WeakPolarHBondContact O-CB 3.37Å; R763-C767 PolarHBondContact O-N 2.92Å |
| 764 | E | 82.6 | Confident | 85.2 | Confident | 88 Ų | 88 | 88.2 Ų | 88.2 | 41% | 0.411 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.4 | -47.7 | 177 | -154.3 | -169.1 | 166.2 | 0 | 0 | 111.6 | G760 F761 E762 S766 C767 Y768 | G760-E764 PolarHBondContact O-N 3.49Å; F761-E764 PolarHBondContact O-N 3.44Å; E762-E764 VanDerWaalsContact C-N 3.35Å; E764-S766 VanDerWaalsContact C-N 3.34Å; E764-S766 PolarHBondContact O-N 3.09Å; E764-C767 WeakPolarHBondContact O-CB 3.4Å; E764-C767 PolarHBondContact O-N 2.95Å; E764-C767 VanDerWaalsContact O-N 3.17Å; E764-Y768 HydrophobicContact CG-CD2 4.23Å; E764-Y768 HydrophobicContact CG-CE2 3.57Å; E764-Y768 VanDerWaalsContact O-CD2 3.3Å; E764-Y768 WeakPolarHBondContact O-CD2 3.43Å; E764-Y768 PolarHBondContact O-N 3.5Å; E764-Y768 VanDerWaalsContact OE1-CE2 3.29Å; E764-Y768 WeakPolarHBondContact OE1-CE2 3.24Å; E764-Y768 PolarHBondContact OE1-OH 3.34Å |
| 765 | R | 82.8 | Confident | 84.9 | Confident | 173 Ų | 173 | 82.5 Ų | 82.5 | 65% | 0.653 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -58.6 | -43.3 | 173 | -73.4 | 172.6 | -175 | -173.6 | 2.7 | 112.2 | F761 C767 Y768 A769 | F761-R765 WeakPolarHBondContact O-CB 3.5Å; F761-R765 VanDerWaalsContact O-CG 3.24Å; F761-R765 WeakPolarHBondContact O-CG 3.24Å; F761-R765 PolarHBondContact O-N 2.91Å; R765-C767 VanDerWaalsContact C-N 3.32Å; R765-C767 PolarHBondContact O-N 2.93Å; R765-Y768 PolarHBondContact O-N 2.94Å; R765-A769 WeakPolarHBondContact O-CB 3.5Å; R765-A769 PolarHBondContact O-N 2.75Å |
| 766 | S | 85.5 | Confident | 84.6 | Confident | 78 Ų | 78 | 78.7 Ų | 78.7 | 55% | 0.545 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 176 | -171.9 | 0 | 0 | 0 | 0 | 111.3 | E762 E764 A769 Q770 | E762-S766 VanDerWaalsContact O-CB 3.28Å; E762-S766 WeakPolarHBondContact O-CB 3.35Å; E762-S766 PolarHBondContact O-N 3.38Å; E764-S766 VanDerWaalsContact C-N 3.34Å; E764-S766 PolarHBondContact O-N 3.09Å; S766-A769 PolarHBondContact O-N 2.87Å; S766-Q770 WeakPolarHBondContact O-CB 3.34Å; S766-Q770 PolarHBondContact O-N 3.45Å |
| 767 | C | 85 | Confident | 84.5 | Confident | 25 Ų | 25 | 78.9 Ų | 78.9 | 17% | 0.169 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62 | -46.3 | 174.3 | -172.5 | 0 | 0 | 0 | 0 | 113 | R240 R763 E764 R765 A769 Q770 Q771 | R240-C767 PolarHBondContact NH1-SG 3.29Å; R240-C767 VanDerWaalsContact NH1-SG 3.38Å; R240-C767 PolarHBondContact NH2-SG 3.13Å; R763-C767 WeakPolarHBondContact O-CB 3.37Å; R763-C767 PolarHBondContact O-N 2.92Å; E764-C767 WeakPolarHBondContact O-CB 3.4Å; E764-C767 PolarHBondContact O-N 2.95Å; E764-C767 VanDerWaalsContact O-N 3.17Å; R765-C767 VanDerWaalsContact C-N 3.32Å; R765-C767 PolarHBondContact O-N 2.93Å; C767-A769 VanDerWaalsContact C-N 3.31Å; C767-A769 PolarHBondContact O-N 3.34Å; C767-Q770 PolarHBondContact O-N 3.17Å; C767-Q771 WeakPolarHBondContact O-CB 3.29Å; C767-Q771 PolarHBondContact O-N 3.06Å |
| 768 | Y | 82 | Confident | 84.1 | Confident | 111 Ų | 111 | 79.1 Ų | 79.1 | 44% | 0.435 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.9 | -33 | 177.7 | -66.2 | -51.5 | 0 | 0 | 0 | 112.2 | E764 R765 A772 | E764-Y768 HydrophobicContact CG-CD2 4.23Å; E764-Y768 HydrophobicContact CG-CE2 3.57Å; E764-Y768 VanDerWaalsContact O-CD2 3.3Å; E764-Y768 WeakPolarHBondContact O-CD2 3.43Å; E764-Y768 PolarHBondContact O-N 3.5Å; E764-Y768 VanDerWaalsContact OE1-CE2 3.29Å; E764-Y768 WeakPolarHBondContact OE1-CE2 3.24Å; E764-Y768 PolarHBondContact OE1-OH 3.34Å; R765-Y768 PolarHBondContact O-N 2.94Å; Y768-A772 VanDerWaalsContact O-CB 3.27Å; Y768-A772 WeakPolarHBondContact O-CB 3.41Å; Y768-A772 PolarHBondContact O-N 2.92Å |
| 769 | A | 84.3 | Confident | 83.9 | Confident | 51 Ų | 51 | 76.8 Ų | 76.8 | 42% | 0.421 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.3 | -44 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | R765 S766 C767 A772 N773 | R765-A769 WeakPolarHBondContact O-CB 3.5Å; R765-A769 PolarHBondContact O-N 2.75Å; S766-A769 PolarHBondContact O-N 2.87Å; C767-A769 VanDerWaalsContact C-N 3.31Å; C767-A769 PolarHBondContact O-N 3.34Å; A769-A772 PolarHBondContact O-N 2.82Å; A769-N773 WeakPolarHBondContact O-CB 3.49Å; A769-N773 VanDerWaalsContact O-CG 3.24Å; A769-N773 PolarHBondContact O-N 3.06Å; A769-N773 PolarHBondContact O-ND2 3.11Å |
| 770 | Q | 85.3 | Confident | 83.6 | Confident | 43 Ų | 43 | 80.4 Ų | 80.4 | 20% | 0.201 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.1 | -47.2 | 173.5 | -172.6 | -177.6 | 5.9 | 0 | 0 | 110.9 | D229 S766 C767 N773 Q774 | D229-Q770 PolarHBondContact O-NE2 3.16Å; S766-Q770 WeakPolarHBondContact O-CB 3.34Å; S766-Q770 PolarHBondContact O-N 3.45Å; C767-Q770 PolarHBondContact O-N 3.17Å; Q770-N773 PolarHBondContact O-N 2.88Å; Q770-Q774 WeakPolarHBondContact O-CG 3.17Å; Q770-Q774 PolarHBondContact O-N 3.45Å |
| 771 | Q | 83.9 | Confident | 83.4 | Confident | 70 Ų | 70 | 86.4 Ų | 86.4 | 33% | 0.327 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 176.4 | -169.4 | 180 | 10 | 0 | 0 | 111.8 | C767 N773 Q774 L775 | C767-Q771 WeakPolarHBondContact O-CB 3.29Å; C767-Q771 PolarHBondContact O-N 3.06Å; Q771-N773 VanDerWaalsContact C-N 3.31Å; Q771-N773 PolarHBondContact O-N 2.99Å; Q771-Q774 WeakPolarHBondContact O-CB 3.49Å; Q771-Q774 PolarHBondContact O-N 3.1Å; Q771-L775 HydrophobicContact CG-CD1 4.27Å; Q771-L775 VanDerWaalsContact O-CG 3.24Å; Q771-L775 WeakPolarHBondContact O-CG 3.41Å; Q771-L775 PolarHBondContact O-N 3.41Å |
| 772 | A | 78.3 | Confident | 83.2 | Confident | 54 Ų | 54 | 83 Ų | 83 | 45% | 0.446 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.3 | -39.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y768 A769 L775 G776 | Y768-A772 VanDerWaalsContact O-CB 3.27Å; Y768-A772 WeakPolarHBondContact O-CB 3.41Å; Y768-A772 PolarHBondContact O-N 2.92Å; A769-A772 PolarHBondContact O-N 2.82Å; A772-L775 PolarHBondContact O-N 3.41Å; A772-G776 PolarHBondContact O-N 3.16Å |
| 773 | N | 85.5 | Confident | 83.2 | Confident | 120 Ų | 120 | 82.2 Ų | 82.2 | 64% | 0.642 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.7 | -40.2 | 175.4 | -70.8 | -20.5 | 0 | 0 | 0 | 112.1 | A769 Q770 Q771 G776 A777 | A769-N773 WeakPolarHBondContact O-CB 3.49Å; A769-N773 VanDerWaalsContact O-CG 3.24Å; A769-N773 PolarHBondContact O-N 3.06Å; A769-N773 PolarHBondContact O-ND2 3.11Å; Q770-N773 PolarHBondContact O-N 2.88Å; Q771-N773 VanDerWaalsContact C-N 3.31Å; Q771-N773 PolarHBondContact O-N 2.99Å; N773-G776 PolarHBondContact O-N 3.49Å; N773-A777 WeakPolarHBondContact O-CB 3.39Å; N773-A777 PolarHBondContact O-N 3.26Å |
| 774 | Q | 83.6 | Confident | 83 | Confident | 54 Ų | 54 | 81 Ų | 81 | 25% | 0.252 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 173.9 | -67.4 | 166.7 | -13.9 | 0 | 0 | 112.3 | E233 Q770 Q771 G776 A777 M778 | E233-Q774 PolarHBondContact OE1-NE2 3.26Å; E233-Q774 PolarHBondContact OE2-NE2 3.31Å; E233-Q774 VanDerWaalsContact OE2-NE2 3.07Å; Q770-Q774 WeakPolarHBondContact O-CG 3.17Å; Q770-Q774 PolarHBondContact O-N 3.45Å; Q771-Q774 WeakPolarHBondContact O-CB 3.49Å; Q771-Q774 PolarHBondContact O-N 3.1Å; Q774-G776 VanDerWaalsContact C-N 3.32Å; Q774-G776 PolarHBondContact O-N 2.82Å; Q774-A777 PolarHBondContact O-N 3.18Å; Q774-M778 HydrophobicContact CB-CE 4.34Å; Q774-M778 WeakPolarHBondContact O-CE 3.47Å; Q774-M778 PolarHBondContact O-N 3.07Å |
| 775 | L | 80.7 | Confident | 83.1 | Confident | 22 Ų | 22 | 80.6 Ų | 80.6 | 12% | 0.115 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 174.9 | -66.7 | 170.5 | 0 | 0 | 0 | 110.3 | F617 F621 L624 Q771 A772 M778 V779 | F617-L775 HydrophobicContact CD2-CD2 4.28Å; F617-L775 HydrophobicContact CE1-CD2 4.46Å; F617-L775 HydrophobicContact CE2-CD2 3.32Å; F617-L775 HydrophobicContact CZ-CD2 3.43Å; F617-L775 VanDerWaalsContact CZ-CD2 3.43Å; F621-L775 HydrophobicContact CD2-CD1 4.39Å; L624-L775 HydrophobicContact CD1-CD1 4.19Å; Q771-L775 HydrophobicContact CG-CD1 4.27Å; Q771-L775 VanDerWaalsContact O-CG 3.24Å; Q771-L775 WeakPolarHBondContact O-CG 3.41Å; Q771-L775 PolarHBondContact O-N 3.41Å; A772-L775 PolarHBondContact O-N 3.41Å; L775-M778 HydrophobicContact CD2-CE 4.23Å; L775-M778 PolarHBondContact O-N 3.15Å; L775-V779 WeakPolarHBondContact O-CG2 3.46Å; L775-V779 PolarHBondContact O-N 2.88Å |
| 776 | G | 82.8 | Confident | 83.3 | Confident | 32 Ų | 32 | 78 Ų | 78 | 33% | 0.33 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A772 N773 Q774 M778 V779 Q780 | A772-G776 PolarHBondContact O-N 3.16Å; N773-G776 PolarHBondContact O-N 3.49Å; Q774-G776 VanDerWaalsContact C-N 3.32Å; Q774-G776 PolarHBondContact O-N 2.82Å; G776-M778 PolarHBondContact O-N 2.83Å; G776-V779 PolarHBondContact O-N 2.74Å; G776-Q780 WeakPolarHBondContact O-CG 3.39Å; G776-Q780 PolarHBondContact O-N 3.46Å |
| 777 | A | 84.5 | Confident | 83.3 | Confident | 58 Ų | 58 | 81.8 Ų | 81.8 | 48% | 0.479 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.2 | -36.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N773 Q774 R781 | N773-A777 WeakPolarHBondContact O-CB 3.39Å; N773-A777 PolarHBondContact O-N 3.26Å; Q774-A777 PolarHBondContact O-N 3.18Å; A777-R781 PolarHBondContact O-N 3.04Å |
| 778 | M | 78.9 | Confident | 83.3 | Confident | 95 Ų | 95 | 84.8 Ų | 84.8 | 47% | 0.468 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 172.3 | -75.9 | -174.6 | -80.8 | 0 | 0 | 111.7 | F617 Q774 L775 G776 Q780 R781 I782 | F617-M778 HydrophobicContact CE2-CE 3.82Å; F617-M778 HydrophobicContact CE2-SD 4.14Å; F617-M778 HydrophobicContact CZ-CB 4.35Å; F617-M778 HydrophobicContact CZ-CE 4.37Å; Q774-M778 HydrophobicContact CB-CE 4.34Å; Q774-M778 WeakPolarHBondContact O-CE 3.47Å; Q774-M778 PolarHBondContact O-N 3.07Å; L775-M778 HydrophobicContact CD2-CE 4.23Å; L775-M778 PolarHBondContact O-N 3.15Å; G776-M778 PolarHBondContact O-N 2.83Å; M778-Q780 PolarHBondContact O-N 2.62Å; M778-R781 WeakPolarHBondContact O-CB 3.26Å; M778-R781 PolarHBondContact O-N 3Å; M778-I782 PolarHBondContact O-N 2.84Å |
| 779 | V | 82 | Confident | 83.4 | Confident | 65 Ų | 65 | 82.1 Ų | 82.1 | 39% | 0.394 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 176.8 | 168.5 | 0 | 0 | 0 | 0 | 111.9 | F617 L775 G776 R781 I782 | F617-V779 HydrophobicContact CE1-CG2 4.44Å; L775-V779 WeakPolarHBondContact O-CG2 3.46Å; L775-V779 PolarHBondContact O-N 2.88Å; G776-V779 PolarHBondContact O-N 2.74Å; V779-R781 PolarHBondContact O-N 2.83Å; V779-I782 HydrophobicContact CB-CD1 4.31Å; V779-I782 HydrophobicContact CG1-CD1 4.42Å; V779-I782 HydrophobicContact CG2-CD1 4.16Å; V779-I782 WeakPolarHBondContact O-CB 3.25Å; V779-I782 PolarHBondContact O-N 3.1Å; V779-I782 VanDerWaalsContact O-N 3.14Å |
| 780 | Q | 83.4 | Confident | 83.6 | Confident | 162 Ų | 162 | 85.4 Ų | 85.4 | 76% | 0.757 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62.2 | -22.4 | 174.1 | -72.3 | 177.9 | 12.2 | 0 | 0 | 113.5 | G776 M778 | G776-Q780 WeakPolarHBondContact O-CG 3.39Å; G776-Q780 PolarHBondContact O-N 3.46Å; M778-Q780 PolarHBondContact O-N 2.62Å |
| 781 | R | 85 | Confident | 83.8 | Confident | 150 Ų | 150 | 87.3 Ų | 87.3 | 57% | 0.566 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -86.3 | -17.3 | 177.1 | -164.1 | 173.3 | 178.3 | 170.3 | 1 | 113.5 | A777 M778 V779 Y784 L785 | A777-R781 PolarHBondContact O-N 3.04Å; M778-R781 WeakPolarHBondContact O-CB 3.26Å; M778-R781 PolarHBondContact O-N 3Å; V779-R781 PolarHBondContact O-N 2.83Å; R781-Y784 WeakPolarHBondContact O-CB 3.32Å; R781-Y784 PolarHBondContact O-N 3.32Å; R781-Y784 VanDerWaalsContact O-N 3.17Å; R781-L785 HydrophobicContact CG-CD1 4.09Å; R781-L785 HydrophobicContact CG-CG 4.13Å; R781-L785 PolarHBondContact O-N 3.44Å; R781-L785 VanDerWaalsContact O-N 3.09Å |
| 782 | I | 79.5 | Confident | 83.9 | Confident | 34 Ų | 34 | 87.6 Ų | 87.6 | 17% | 0.174 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -53.6 | -51.8 | 179.8 | -62.9 | 165.6 | 0 | 0 | 0 | 111.7 | Y614 M778 V779 Y784 L785 E786 | Y614-I782 HydrophobicContact CE2-CD1 3.78Å; Y614-I782 HydrophobicContact CE2-CG1 4.19Å; M778-I782 PolarHBondContact O-N 2.84Å; V779-I782 HydrophobicContact CB-CD1 4.31Å; V779-I782 HydrophobicContact CG1-CD1 4.42Å; V779-I782 HydrophobicContact CG2-CD1 4.16Å; V779-I782 WeakPolarHBondContact O-CB 3.25Å; V779-I782 PolarHBondContact O-N 3.1Å; V779-I782 VanDerWaalsContact O-N 3.14Å; I782-Y784 PolarHBondContact O-N 3.28Å; I782-Y784 VanDerWaalsContact O-N 3.13Å; I782-L785 PolarHBondContact O-N 2.84Å; I782-E786 HydrophobicContact CG2-CG 3.94Å; I782-E786 WeakPolarHBondContact O-CG 3.2Å; I782-E786 PolarHBondContact O-N 2.89Å |
| 783 | P | 85.6 | Confident | 84.4 | Confident | 79 Ų | 79 | 92.8 Ų | 92.8 | 51% | 0.513 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.7 | -22.2 | -176.8 | -22 | 35.4 | 0 | 0 | 0 | 114.2 | K787 | P783-K787 VanDerWaalsContact O-CB 3.29Å; P783-K787 WeakPolarHBondContact O-CB 3.3Å; P783-K787 PolarHBondContact O-N 3.31Å |
| 784 | Y | 81.9 | Confident | 84.5 | Confident | 136 Ų | 136 | 89 Ų | 89 | 53% | 0.533 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -74.5 | -47.4 | 172.6 | -175.8 | -89.4 | 0 | 0 | 0 | 110.6 | R781 I782 K787 E788 | R781-Y784 WeakPolarHBondContact O-CB 3.32Å; R781-Y784 PolarHBondContact O-N 3.32Å; R781-Y784 VanDerWaalsContact O-N 3.17Å; I782-Y784 PolarHBondContact O-N 3.28Å; I782-Y784 VanDerWaalsContact O-N 3.13Å; Y784-K787 WeakPolarHBondContact O-CB 3.35Å; Y784-K787 PolarHBondContact O-N 3.48Å; Y784-E788 HydrophobicContact CD1-CG 4.19Å; Y784-E788 HydrophobicContact CE1-CG 3.92Å; Y784-E788 WeakPolarHBondContact CE1-OE2 3.31Å; Y784-E788 PolarHBondContact O-N 2.82Å |
| 785 | L | 84.7 | Confident | 84.5 | Confident | 81 Ų | 81 | 89 Ų | 89 | 42% | 0.424 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 177.7 | -66.2 | 170 | 0 | 0 | 0 | 111.9 | R781 I782 K787 E788 L789 | R781-L785 HydrophobicContact CG-CD1 4.09Å; R781-L785 HydrophobicContact CG-CG 4.13Å; R781-L785 PolarHBondContact O-N 3.44Å; R781-L785 VanDerWaalsContact O-N 3.09Å; I782-L785 PolarHBondContact O-N 2.84Å; L785-K787 VanDerWaalsContact C-N 3.31Å; L785-K787 PolarHBondContact O-N 2.83Å; L785-E788 PolarHBondContact O-N 2.89Å; L785-L789 WeakPolarHBondContact O-CB 3.45Å; L785-L789 PolarHBondContact O-N 2.86Å |
| 786 | E | 86.3 | Confident | 84.6 | Confident | 118 Ų | 118 | 92.3 Ų | 92.3 | 55% | 0.551 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60 | -41.4 | 171.9 | -72.3 | 176.3 | 148.8 | 0 | 0 | 111.7 | I782 L789 L790 | I782-E786 HydrophobicContact CG2-CG 3.94Å; I782-E786 WeakPolarHBondContact O-CG 3.2Å; I782-E786 PolarHBondContact O-N 2.89Å; E786-L789 PolarHBondContact O-N 3.46Å; E786-L790 VanDerWaalsContact O-CB 3.28Å; E786-L790 WeakPolarHBondContact O-CB 3.24Å; E786-L790 PolarHBondContact O-N 3.13Å |
| 787 | K | 86.4 | Confident | 84.8 | Confident | 158 Ų | 158 | 98.3 Ų | 98.3 | 69% | 0.687 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -68.6 | -39.8 | 177.2 | -176.6 | 179.7 | 178.8 | -177.7 | 0 | 112.4 | P783 Y784 L785 K791 | P783-K787 VanDerWaalsContact O-CB 3.29Å; P783-K787 WeakPolarHBondContact O-CB 3.3Å; P783-K787 PolarHBondContact O-N 3.31Å; Y784-K787 WeakPolarHBondContact O-CB 3.35Å; Y784-K787 PolarHBondContact O-N 3.48Å; L785-K787 VanDerWaalsContact C-N 3.31Å; L785-K787 PolarHBondContact O-N 2.83Å; K787-K791 WeakPolarHBondContact O-CB 3.4Å; K787-K791 PolarHBondContact O-N 3.26Å |
| 788 | E | 84.9 | Confident | 85 | Confident | 87 Ų | 87 | 96.4 Ų | 96.4 | 41% | 0.407 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 172.8 | -71.3 | -167.8 | 123.6 | 0 | 0 | 111.7 | Y784 L785 K791 T792 | Y784-E788 HydrophobicContact CD1-CG 4.19Å; Y784-E788 HydrophobicContact CE1-CG 3.92Å; Y784-E788 WeakPolarHBondContact CE1-OE2 3.31Å; Y784-E788 PolarHBondContact O-N 2.82Å; L785-E788 PolarHBondContact O-N 2.89Å; E788-K791 CarbonylContact O-C 3.57Å; E788-K791 WeakPolarHBondContact O-CB 3.49Å; E788-K791 PolarHBondContact O-N 3.46Å; E788-T792 PolarHBondContact O-N 2.8Å; E788-T792 PolarHBondContact O-OG1 3.42Å |
| 789 | L | 84.9 | Confident | 85.3 | Confident | 56 Ų | 56 | 94 Ų | 94 | 29% | 0.293 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -69.7 | -37.1 | 179.3 | -166.3 | 157.8 | 0 | 0 | 0 | 111.8 | L607 L785 E786 K791 T792 R793 | L607-L789 HydrophobicContact CD2-CD1 3.98Å; L785-L789 WeakPolarHBondContact O-CB 3.45Å; L785-L789 PolarHBondContact O-N 2.86Å; E786-L789 PolarHBondContact O-N 3.46Å; L789-K791 VanDerWaalsContact C-N 3.32Å; L789-T792 WeakPolarHBondContact CA-OG1 3.24Å; L789-T792 PolarHBondContact O-OG1 3.32Å; L789-R793 HydrophobicContact CD2-CG 4.23Å; L789-R793 WeakPolarHBondContact O-CB 3.39Å; L789-R793 WeakPolarHBondContact O-CG 3.46Å; L789-R793 PolarHBondContact O-N 3.1Å |
| 790 | L | 88.5 | Confident | 85.5 | Confident | 119 Ų | 119 | 96.3 Ų | 96.3 | 62% | 0.623 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63 | -40.9 | 170.1 | -164.8 | 87 | 0 | 0 | 0 | 110.8 | E786 V794 | E786-L790 VanDerWaalsContact O-CB 3.28Å; E786-L790 WeakPolarHBondContact O-CB 3.24Å; E786-L790 PolarHBondContact O-N 3.13Å; L790-V794 WeakPolarHBondContact O-CB 3.28Å; L790-V794 PolarHBondContact O-N 2.89Å; L790-V794 VanDerWaalsContact O-N 3.09Å |
| 791 | K | 88.7 | Confident | 85.7 | Confident | 84 Ų | 84 | 92.7 Ų | 92.7 | 37% | 0.365 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65 | -48.5 | 176.4 | -171.1 | -160.2 | 169.6 | -156.8 | 0 | 111.5 | K787 E788 L789 R793 V794 D795 | K787-K791 WeakPolarHBondContact O-CB 3.4Å; K787-K791 PolarHBondContact O-N 3.26Å; E788-K791 CarbonylContact O-C 3.57Å; E788-K791 WeakPolarHBondContact O-CB 3.49Å; E788-K791 PolarHBondContact O-N 3.46Å; L789-K791 VanDerWaalsContact C-N 3.32Å; K791-R793 PolarHBondContact O-N 3Å; K791-V794 CarbonylContact O-C 3.57Å; K791-V794 WeakPolarHBondContact O-CA 3.17Å; K791-V794 VanDerWaalsContact O-CB 3.28Å; K791-V794 WeakPolarHBondContact O-CB 3.39Å; K791-V794 PolarHBondContact O-N 2.9Å; K791-V794 VanDerWaalsContact O-N 3.08Å; K791-D795 WeakPolarHBondContact CE-OD2 3.36Å; K791-D795 IonicContact NZ-OD2 3.02Å; K791-D795 PolarHBondContact O-N 3.18Å |
| 792 | T | 84.8 | Confident | 85.9 | Confident | 75 Ų | 75 | 88.1 Ų | 88.1 | 46% | 0.46 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67 | -36.1 | -179.7 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | E788 L789 V794 D795 M796 | E788-T792 PolarHBondContact O-N 2.8Å; E788-T792 PolarHBondContact O-OG1 3.42Å; L789-T792 WeakPolarHBondContact CA-OG1 3.24Å; L789-T792 PolarHBondContact O-OG1 3.32Å; T792-V794 VanDerWaalsContact C-N 3.28Å; T792-V794 PolarHBondContact O-N 3.22Å; T792-D795 PolarHBondContact O-N 2.59Å; T792-M796 WeakPolarHBondContact O-CB 3.5Å; T792-M796 WeakPolarHBondContact O-CG 3.28Å; T792-M796 PolarHBondContact O-N 3.03Å |
| 793 | R | 88.9 | Confident | 86.2 | Confident | 163 Ų | 163 | 88.8 Ų | 88.8 | 62% | 0.615 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -60 | -38 | 169.1 | -78 | 178.5 | 172.6 | 162.6 | -0.4 | 112.6 | L789 K791 R797 | L789-R793 HydrophobicContact CD2-CG 4.23Å; L789-R793 WeakPolarHBondContact O-CB 3.39Å; L789-R793 WeakPolarHBondContact O-CG 3.46Å; L789-R793 PolarHBondContact O-N 3.1Å; K791-R793 PolarHBondContact O-N 3Å; R793-R797 PolarHBondContact O-N 2.93Å; R793-R797 VanDerWaalsContact O-N 3.1Å |
| 794 | V | 89.1 | Confident | 86.5 | Confident | 40 Ų | 40 | 86.4 Ų | 86.4 | 24% | 0.242 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -68 | -45.6 | 174.6 | 143.5 | 0 | 0 | 0 | 0 | 111.5 | L790 K791 T792 M796 R797 N798 | L790-V794 WeakPolarHBondContact O-CB 3.28Å; L790-V794 PolarHBondContact O-N 2.89Å; L790-V794 VanDerWaalsContact O-N 3.09Å; K791-V794 CarbonylContact O-C 3.57Å; K791-V794 WeakPolarHBondContact O-CA 3.17Å; K791-V794 VanDerWaalsContact O-CB 3.28Å; K791-V794 WeakPolarHBondContact O-CB 3.39Å; K791-V794 PolarHBondContact O-N 2.9Å; K791-V794 VanDerWaalsContact O-N 3.08Å; T792-V794 VanDerWaalsContact C-N 3.28Å; T792-V794 PolarHBondContact O-N 3.22Å; V794-M796 VanDerWaalsContact C-N 3.33Å; V794-M796 PolarHBondContact O-N 3.05Å; V794-R797 PolarHBondContact O-N 3.31Å; V794-N798 WeakPolarHBondContact O-CB 3.05Å; V794-N798 PolarHBondContact O-N 3.31Å; V794-N798 PolarHBondContact O-OD1 3.07Å |
| 795 | D | 84 | Confident | 86.8 | Confident | 54 Ų | 54 | 82.3 Ų | 82.3 | 29% | 0.289 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.5 | -36.9 | -179.8 | -64.1 | -15.7 | 0 | 0 | 0 | 110.7 | K791 T792 A799 Q1613 | K791-D795 WeakPolarHBondContact CE-OD2 3.36Å; K791-D795 IonicContact NZ-OD2 3.02Å; K791-D795 PolarHBondContact O-N 3.18Å; T792-D795 PolarHBondContact O-N 2.59Å; D795-A799 WeakPolarHBondContact O-CB 3.46Å; D795-A799 PolarHBondContact O-N 3.14Å; D795-Q1613 PolarHBondContact OD1-NE2 3.23Å |
| 796 | M | 82.1 | Confident | 86.9 | Confident | 93 Ų | 93 | 83.9 Ų | 83.9 | 46% | 0.458 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.1 | -54.3 | 169.6 | -80 | 179.6 | 61.4 | 0 | 0 | 112.1 | T792 V794 N798 A799 E800 | T792-M796 WeakPolarHBondContact O-CB 3.5Å; T792-M796 WeakPolarHBondContact O-CG 3.28Å; T792-M796 PolarHBondContact O-N 3.03Å; V794-M796 VanDerWaalsContact C-N 3.33Å; V794-M796 PolarHBondContact O-N 3.05Å; M796-N798 VanDerWaalsContact C-N 3.3Å; M796-N798 PolarHBondContact O-N 2.88Å; M796-A799 CarbonylContact O-C 3.48Å; M796-A799 WeakPolarHBondContact O-CA 3.2Å; M796-A799 WeakPolarHBondContact O-CB 3.49Å; M796-A799 PolarHBondContact O-N 3.26Å; M796-E800 WeakPolarHBondContact O-CG 3.24Å; M796-E800 PolarHBondContact O-N 2.92Å |
| 797 | R | 87.3 | Confident | 87 | Confident | 158 Ų | 158 | 87.6 Ų | 87.6 | 60% | 0.596 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -58.2 | -43.5 | 179.5 | -174 | -172.8 | -62 | 172.7 | -0.1 | 111.5 | R793 V794 A799 E800 E801 | R793-R797 PolarHBondContact O-N 2.93Å; R793-R797 VanDerWaalsContact O-N 3.1Å; V794-R797 PolarHBondContact O-N 3.31Å; R797-A799 VanDerWaalsContact C-N 3.28Å; R797-A799 PolarHBondContact O-N 2.84Å; R797-E800 PolarHBondContact O-N 2.94Å; R797-E801 WeakPolarHBondContact CD-OE1 3.42Å; R797-E801 HydrophobicContact CG-CG 4.35Å; R797-E801 WeakPolarHBondContact CG-OE1 3.17Å; R797-E801 WeakPolarHBondContact O-CB 3.23Å; R797-E801 WeakPolarHBondContact O-CG 3.29Å; R797-E801 PolarHBondContact O-N 3.29Å |
| 798 | N | 88.3 | Confident | 87.1 | Confident | 17 Ų | 17 | 84.4 Ų | 84.4 | 9% | 0.091 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.3 | -34.1 | 176 | -90.6 | 109.3 | 0 | 0 | 0 | 112.3 | V794 M796 L802 Q1613 | V794-N798 WeakPolarHBondContact O-CB 3.05Å; V794-N798 PolarHBondContact O-N 3.31Å; V794-N798 PolarHBondContact O-OD1 3.07Å; M796-N798 VanDerWaalsContact C-N 3.3Å; M796-N798 PolarHBondContact O-N 2.88Å; N798-L802 VanDerWaalsContact O-CB 3.3Å; N798-L802 WeakPolarHBondContact O-CB 3.32Å; N798-L802 PolarHBondContact O-N 3.34Å; N798-Q1613 HydrophobicContact CB-CG 4.49Å; N798-Q1613 PolarHBondContact OD1-NE2 2.9Å |
| 799 | A | 84.1 | Confident | 87.3 | Confident | 44 Ų | 44 | 83.9 Ų | 83.9 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -74.9 | -31.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D795 M796 R797 A803 | D795-A799 WeakPolarHBondContact O-CB 3.46Å; D795-A799 PolarHBondContact O-N 3.14Å; M796-A799 CarbonylContact O-C 3.48Å; M796-A799 WeakPolarHBondContact O-CA 3.2Å; M796-A799 WeakPolarHBondContact O-CB 3.49Å; M796-A799 PolarHBondContact O-N 3.26Å; R797-A799 VanDerWaalsContact C-N 3.28Å; R797-A799 PolarHBondContact O-N 2.84Å; A799-A803 VanDerWaalsContact O-CB 3.26Å; A799-A803 WeakPolarHBondContact O-CB 3.33Å; A799-A803 PolarHBondContact O-N 3.31Å |
| 800 | E | 87.4 | Confident | 87.5 | Confident | 114 Ų | 114 | 87.9 Ų | 87.9 | 53% | 0.533 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -71.4 | -44.4 | 173.2 | -71.4 | 161.6 | -175.1 | 0 | 0 | 111.3 | M796 R797 A803 G804 | M796-E800 WeakPolarHBondContact O-CG 3.24Å; M796-E800 PolarHBondContact O-N 2.92Å; R797-E800 PolarHBondContact O-N 2.94Å; E800-A803 PolarHBondContact O-N 3.35Å; E800-G804 PolarHBondContact O-N 2.86Å |
| 801 | E | 87.2 | Confident | 87.6 | Confident | 86 Ų | 86 | 87 Ų | 87 | 40% | 0.402 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.7 | -45.4 | 171.5 | -74.1 | 169.6 | -170.6 | 0 | 0 | 111 | R797 G804 S805 | R797-E801 WeakPolarHBondContact CD-OE1 3.42Å; R797-E801 HydrophobicContact CG-CG 4.35Å; R797-E801 WeakPolarHBondContact CG-OE1 3.17Å; R797-E801 WeakPolarHBondContact O-CB 3.23Å; R797-E801 WeakPolarHBondContact O-CG 3.29Å; R797-E801 PolarHBondContact O-N 3.29Å; E801-G804 PolarHBondContact O-N 2.88Å; E801-S805 PolarHBondContact O-N 3.43Å |
| 802 | L | 90.3 | Very high | 87.7 | Confident | 55 Ų | 55 | 88.4 Ų | 88.4 | 29% | 0.288 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.4 | -51.2 | 175.9 | -178.4 | 63.4 | 0 | 0 | 0 | 111.4 | N798 G804 S805 E806 | N798-L802 VanDerWaalsContact O-CB 3.3Å; N798-L802 WeakPolarHBondContact O-CB 3.32Å; N798-L802 PolarHBondContact O-N 3.34Å; L802-G804 VanDerWaalsContact C-N 3.29Å; L802-G804 PolarHBondContact O-N 2.85Å; L802-S805 PolarHBondContact O-N 2.81Å; L802-S805 VanDerWaalsContact O-N 3.07Å; L802-S805 PolarHBondContact O-OG 2.96Å; L802-E806 HydrophobicContact CD1-CG 4.45Å; L802-E806 WeakPolarHBondContact O-CG 3.43Å; L802-E806 PolarHBondContact O-N 3.15Å |
| 803 | A | 85.3 | Confident | 87.9 | Confident | 48 Ų | 48 | 88.9 Ų | 88.9 | 40% | 0.397 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.7 | -33.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A799 E800 R807 | A799-A803 VanDerWaalsContact O-CB 3.26Å; A799-A803 WeakPolarHBondContact O-CB 3.33Å; A799-A803 PolarHBondContact O-N 3.31Å; E800-A803 PolarHBondContact O-N 3.35Å; A803-R807 WeakPolarHBondContact O-CB 3.39Å; A803-R807 PolarHBondContact O-N 3.35Å |
| 804 | G | 90.9 | Very high | 88 | Confident | 29 Ų | 29 | 85.5 Ų | 85.5 | 30% | 0.299 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64 | -45.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | E800 E801 L802 E806 R807 I808 | E800-G804 PolarHBondContact O-N 2.86Å; E801-G804 PolarHBondContact O-N 2.88Å; L802-G804 VanDerWaalsContact C-N 3.29Å; L802-G804 PolarHBondContact O-N 2.85Å; G804-E806 PolarHBondContact O-N 2.83Å; G804-R807 PolarHBondContact O-N 3.2Å; G804-I808 WeakPolarHBondContact O-CB 3.47Å; G804-I808 VanDerWaalsContact O-CG1 3.3Å; G804-I808 WeakPolarHBondContact O-CG1 3.27Å; G804-I808 PolarHBondContact O-N 2.99Å |
| 805 | S | 87.8 | Confident | 88.1 | Confident | 49 Ų | 49 | 88.1 Ų | 88.1 | 34% | 0.343 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 175.9 | 81.3 | 0 | 0 | 0 | 0 | 112.5 | E801 L802 I808 N809 | E801-S805 PolarHBondContact O-N 3.43Å; L802-S805 PolarHBondContact O-N 2.81Å; L802-S805 VanDerWaalsContact O-N 3.07Å; L802-S805 PolarHBondContact O-OG 2.96Å; S805-I808 PolarHBondContact O-N 3.5Å; S805-N809 VanDerWaalsContact O-CB 3.28Å; S805-N809 WeakPolarHBondContact O-CB 3.32Å; S805-N809 PolarHBondContact O-N 2.87Å; S805-N809 PolarHBondContact O-ND2 3.48Å; S805-N809 VanDerWaalsContact O-ND2 3.11Å |
| 806 | E | 86.7 | Confident | 88.5 | Confident | 114 Ų | 114 | 91.2 Ų | 91.2 | 53% | 0.533 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 175.5 | -73 | 179 | 175.4 | 0 | 0 | 111.3 | L802 G804 N809 F810 | L802-E806 HydrophobicContact CD1-CG 4.45Å; L802-E806 WeakPolarHBondContact O-CG 3.43Å; L802-E806 PolarHBondContact O-N 3.15Å; G804-E806 PolarHBondContact O-N 2.83Å; E806-N809 PolarHBondContact O-N 3.25Å; E806-F810 VanDerWaalsContact O-CB 3.3Å; E806-F810 WeakPolarHBondContact O-CB 3.42Å; E806-F810 PolarHBondContact O-N 3.04Å |
| 807 | R | 89.2 | Confident | 88.8 | Confident | 196 Ų | 196 | 90.4 Ų | 90.4 | 74% | 0.74 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -60.5 | -46.7 | 174.1 | -173.5 | -176.8 | -66.8 | -168.1 | -1.8 | 111.7 | A803 G804 F810 Q811 | A803-R807 WeakPolarHBondContact O-CB 3.39Å; A803-R807 PolarHBondContact O-N 3.35Å; G804-R807 PolarHBondContact O-N 3.2Å; R807-F810 PolarHBondContact O-N 3.39Å; R807-Q811 WeakPolarHBondContact O-CB 3.44Å; R807-Q811 PolarHBondContact O-N 2.76Å |
| 808 | I | 88.9 | Confident | 88.9 | Confident | 91 Ų | 91 | 87.2 Ų | 87.2 | 47% | 0.467 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 177.8 | -69.5 | 166.2 | 0 | 0 | 0 | 111.2 | G804 S805 R812 | G804-I808 WeakPolarHBondContact O-CB 3.47Å; G804-I808 VanDerWaalsContact O-CG1 3.3Å; G804-I808 WeakPolarHBondContact O-CG1 3.27Å; G804-I808 PolarHBondContact O-N 2.99Å; S805-I808 PolarHBondContact O-N 3.5Å; I808-R812 VanDerWaalsContact O-CB 3.31Å; I808-R812 WeakPolarHBondContact O-CB 3.46Å; I808-R812 PolarHBondContact O-N 2.75Å |
| 809 | N | 88.7 | Confident | 89.1 | Confident | 77 Ų | 77 | 91 Ų | 91 | 41% | 0.412 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.3 | -38.7 | 177.1 | -72.2 | -27.8 | 0 | 0 | 0 | 111.9 | S805 E806 R812 T813 | S805-N809 VanDerWaalsContact O-CB 3.28Å; S805-N809 WeakPolarHBondContact O-CB 3.32Å; S805-N809 PolarHBondContact O-N 2.87Å; S805-N809 PolarHBondContact O-ND2 3.48Å; S805-N809 VanDerWaalsContact O-ND2 3.11Å; E806-N809 PolarHBondContact O-N 3.25Å; N809-R812 PolarHBondContact O-N 3.25Å; N809-R812 PolarHBondContact OD1-NH1 3.17Å; N809-T813 WeakPolarHBondContact O-CB 3.39Å; N809-T813 PolarHBondContact O-N 2.99Å; N809-T813 PolarHBondContact O-OG1 3.48Å |
| 810 | F | 88.1 | Confident | 89.4 | Confident | 140 Ų | 140 | 93.1 Ų | 93.1 | 61% | 0.614 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.5 | -47.9 | 173.7 | 179.5 | -108 | 0 | 0 | 0 | 111.6 | E806 R807 R812 T813 M814 | E806-F810 VanDerWaalsContact O-CB 3.3Å; E806-F810 WeakPolarHBondContact O-CB 3.42Å; E806-F810 PolarHBondContact O-N 3.04Å; R807-F810 PolarHBondContact O-N 3.39Å; F810-R812 PolarHBondContact O-N 3.43Å; F810-T813 PolarHBondContact O-N 3.06Å; F810-M814 HydrophobicContact CD1-CE 4.13Å; F810-M814 HydrophobicContact CE1-CE 3.39Å; F810-M814 HydrophobicContact CZ-CE 3.8Å; F810-M814 WeakPolarHBondContact O-CB 3.47Å; F810-M814 PolarHBondContact O-N 3.12Å |
| 811 | Q | 91.3 | Very high | 89.5 | Confident | 101 Ų | 101 | 91.7 Ų | 91.7 | 47% | 0.472 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -56.5 | -49.9 | 173.5 | 177.8 | 177.9 | -13.2 | 0 | 0 | 111.2 | R807 T813 M814 E815 | R807-Q811 WeakPolarHBondContact O-CB 3.44Å; R807-Q811 PolarHBondContact O-N 2.76Å; Q811-T813 VanDerWaalsContact C-N 3.27Å; Q811-T813 PolarHBondContact O-N 3.31Å; Q811-M814 WeakPolarHBondContact O-CB 3.42Å; Q811-M814 PolarHBondContact O-N 2.94Å; Q811-M814 VanDerWaalsContact O-N 3.11Å; Q811-E815 HydrophobicContact CG-CG 4.33Å; Q811-E815 WeakPolarHBondContact CG-OE1 3.45Å; Q811-E815 PolarHBondContact NE2-OE1 2.7Å; Q811-E815 WeakPolarHBondContact O-CB 3.05Å; Q811-E815 WeakPolarHBondContact O-CG 3.46Å; Q811-E815 PolarHBondContact O-N 3.19Å |
| 812 | R | 90.6 | Very high | 89.7 | Confident | 113 Ų | 113 | 91.7 Ų | 91.7 | 43% | 0.426 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.5 | -36.8 | 178.2 | -167.4 | -174.5 | -58.6 | 118.1 | 0.8 | 112.4 | I808 N809 F810 Q816 | I808-R812 VanDerWaalsContact O-CB 3.31Å; I808-R812 WeakPolarHBondContact O-CB 3.46Å; I808-R812 PolarHBondContact O-N 2.75Å; N809-R812 PolarHBondContact O-N 3.25Å; N809-R812 PolarHBondContact OD1-NH1 3.17Å; F810-R812 PolarHBondContact O-N 3.43Å; R812-Q816 WeakPolarHBondContact O-CB 3.35Å; R812-Q816 WeakPolarHBondContact O-CG 3.35Å; R812-Q816 PolarHBondContact O-N 3.48Å |
| 813 | T | 90 | Very high | 90 | Very high | 85 Ų | 85 | 94.3 Ų | 94.3 | 52% | 0.521 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.5 | -38.6 | 176.4 | -54.7 | 0 | 0 | 0 | 0 | 111.3 | N809 F810 Q811 S817 | N809-T813 WeakPolarHBondContact O-CB 3.39Å; N809-T813 PolarHBondContact O-N 2.99Å; N809-T813 PolarHBondContact O-OG1 3.48Å; F810-T813 PolarHBondContact O-N 3.06Å; Q811-T813 VanDerWaalsContact C-N 3.27Å; Q811-T813 PolarHBondContact O-N 3.31Å; T813-S817 VanDerWaalsContact O-CB 3.29Å; T813-S817 WeakPolarHBondContact O-CB 3.2Å; T813-S817 PolarHBondContact O-N 3.5Å |
| 814 | M | 90.5 | Very high | 90.3 | Very high | 91 Ų | 91 | 95 Ų | 95 | 45% | 0.448 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.6 | -47 | 173.9 | -169.7 | -167.1 | -59.8 | 0 | 0 | 111.4 | F810 Q811 Q816 S817 L818 | F810-M814 HydrophobicContact CD1-CE 4.13Å; F810-M814 HydrophobicContact CE1-CE 3.39Å; F810-M814 HydrophobicContact CZ-CE 3.8Å; F810-M814 WeakPolarHBondContact O-CB 3.47Å; F810-M814 PolarHBondContact O-N 3.12Å; Q811-M814 WeakPolarHBondContact O-CB 3.42Å; Q811-M814 PolarHBondContact O-N 2.94Å; Q811-M814 VanDerWaalsContact O-N 3.11Å; M814-Q816 VanDerWaalsContact C-N 3.34Å; M814-Q816 PolarHBondContact O-N 3Å; M814-S817 PolarHBondContact O-N 3.46Å; M814-L818 HydrophobicContact CG-CD1 4.03Å; M814-L818 HydrophobicContact CG-CG 4.48Å; M814-L818 WeakPolarHBondContact O-CB 3.35Å; M814-L818 VanDerWaalsContact O-CG 3.31Å; M814-L818 WeakPolarHBondContact O-CG 3.45Å; M814-L818 PolarHBondContact O-N 3.45Å |
| 815 | E | 91.8 | Very high | 90.3 | Very high | 96 Ų | 96 | 98.7 Ų | 98.7 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 175.3 | -73.4 | 172 | -179.1 | 0 | 0 | 111.8 | Q811 T819 | Q811-E815 HydrophobicContact CG-CG 4.33Å; Q811-E815 WeakPolarHBondContact CG-OE1 3.45Å; Q811-E815 PolarHBondContact NE2-OE1 2.7Å; Q811-E815 WeakPolarHBondContact O-CB 3.05Å; Q811-E815 WeakPolarHBondContact O-CG 3.46Å; Q811-E815 PolarHBondContact O-N 3.19Å; E815-T819 VanDerWaalsContact O-CB 3.24Å; E815-T819 WeakPolarHBondContact O-CB 3.39Å; E815-T819 PolarHBondContact O-N 2.92Å; E815-T819 PolarHBondContact O-OG1 3.31Å |
| 816 | Q | 91.3 | Very high | 90.5 | Very high | 118 Ų | 118 | 100.9 Ų | 100.9 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.5 | -45.4 | 174.2 | -75.8 | 172.2 | 0 | 0 | 0 | 111.9 | R812 M814 T819 E820 | R812-Q816 WeakPolarHBondContact O-CB 3.35Å; R812-Q816 WeakPolarHBondContact O-CG 3.35Å; R812-Q816 PolarHBondContact O-N 3.48Å; M814-Q816 VanDerWaalsContact C-N 3.34Å; M814-Q816 PolarHBondContact O-N 3Å; Q816-T819 PolarHBondContact O-N 3.17Å; Q816-E820 VanDerWaalsContact O-CB 3.32Å; Q816-E820 WeakPolarHBondContact O-CB 3.46Å; Q816-E820 PolarHBondContact O-N 3.12Å |
| 817 | S | 88.8 | Confident | 90.8 | Very high | 77 Ų | 77 | 100.4 Ų | 100.4 | 54% | 0.538 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 177.3 | -175.1 | 0 | 0 | 0 | 0 | 112.2 | T813 M814 E820 N821 | T813-S817 VanDerWaalsContact O-CB 3.29Å; T813-S817 WeakPolarHBondContact O-CB 3.2Å; T813-S817 PolarHBondContact O-N 3.5Å; M814-S817 PolarHBondContact O-N 3.46Å; S817-E820 PolarHBondContact O-N 3.46Å; S817-N821 VanDerWaalsContact O-CB 3.24Å; S817-N821 WeakPolarHBondContact O-CB 3.42Å; S817-N821 PolarHBondContact O-N 2.91Å |
| 818 | L | 90.6 | Very high | 91 | Very high | 91 Ų | 91 | 94.3 Ų | 94.3 | 48% | 0.476 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 175.3 | -71.3 | 170.9 | 0 | 0 | 0 | 111.7 | M814 N821 L822 | M814-L818 HydrophobicContact CG-CD1 4.03Å; M814-L818 HydrophobicContact CG-CG 4.48Å; M814-L818 WeakPolarHBondContact O-CB 3.35Å; M814-L818 VanDerWaalsContact O-CG 3.31Å; M814-L818 WeakPolarHBondContact O-CG 3.45Å; M814-L818 PolarHBondContact O-N 3.45Å; L818-N821 PolarHBondContact O-N 3.29Å; L818-L822 WeakPolarHBondContact O-CB 3.32Å; L818-L822 VanDerWaalsContact O-CG 3.24Å; L818-L822 WeakPolarHBondContact O-CG 3.49Å; L818-L822 PolarHBondContact O-N 3.21Å |
| 819 | T | 92.5 | Very high | 91.1 | Very high | 95 Ų | 95 | 91.9 Ų | 91.9 | 58% | 0.583 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.8 | -42.4 | 177 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | E815 Q816 R823 | E815-T819 VanDerWaalsContact O-CB 3.24Å; E815-T819 WeakPolarHBondContact O-CB 3.39Å; E815-T819 PolarHBondContact O-N 2.92Å; E815-T819 PolarHBondContact O-OG1 3.31Å; Q816-T819 PolarHBondContact O-N 3.17Å; T819-R823 WeakPolarHBondContact O-CB 3.4Å; T819-R823 PolarHBondContact O-N 3.13Å |
| 820 | E | 88.9 | Confident | 91.3 | Very high | 90 Ų | 90 | 90.3 Ų | 90.3 | 42% | 0.421 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.1 | -40.3 | 177.3 | 178.5 | 61.9 | -176.8 | 0 | 0 | 111.9 | Q816 S817 R823 V824 | Q816-E820 VanDerWaalsContact O-CB 3.32Å; Q816-E820 WeakPolarHBondContact O-CB 3.46Å; Q816-E820 PolarHBondContact O-N 3.12Å; S817-E820 PolarHBondContact O-N 3.46Å; E820-R823 WeakPolarHBondContact O-CB 3.09Å; E820-R823 PolarHBondContact O-N 2.89Å; E820-R823 IonicContact OE1-CZ 2.68Å; E820-R823 IonicContact OE1-NE 3.75Å; E820-R823 IonicContact OE1-NH2 2.7Å; E820-R823 PolarHBondContact OE1-NH2 2.64Å; E820-R823 IonicContact OE2-CZ 2.65Å; E820-R823 IonicContact OE2-NE 3.62Å; E820-R823 PolarHBondContact OE2-NE 3.07Å; E820-R823 IonicContact OE2-NH2 2.59Å; E820-R823 PolarHBondContact OE2-NH2 3.43Å; E820-V824 WeakPolarHBondContact O-CG2 3.26Å; E820-V824 PolarHBondContact O-N 3.22Å |
| 821 | N | 90.4 | Very high | 91.7 | Very high | 83 Ų | 83 | 89.2 Ų | 89.2 | 44% | 0.444 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 174.5 | -165 | -19.1 | 0 | 0 | 0 | 110.9 | S817 L818 R823 V824 Q825 | S817-N821 VanDerWaalsContact O-CB 3.24Å; S817-N821 WeakPolarHBondContact O-CB 3.42Å; S817-N821 PolarHBondContact O-N 2.91Å; L818-N821 PolarHBondContact O-N 3.29Å; N821-R823 VanDerWaalsContact C-N 3.32Å; N821-R823 PolarHBondContact O-N 2.88Å; N821-V824 PolarHBondContact O-N 3.09Å; N821-Q825 WeakPolarHBondContact O-CB 3.47Å; N821-Q825 VanDerWaalsContact O-CG 3.28Å; N821-Q825 WeakPolarHBondContact O-CG 3.23Å; N821-Q825 PolarHBondContact O-N 3.38Å; N821-Q825 PolarHBondContact OD1-NE2 3Å |
| 822 | L | 91.7 | Very high | 92 | Very high | 87 Ų | 87 | 91.1 Ų | 91.1 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.2 | -35.8 | 173 | -72.6 | 169.3 | 0 | 0 | 0 | 112.6 | L818 N826 | L818-L822 WeakPolarHBondContact O-CB 3.32Å; L818-L822 VanDerWaalsContact O-CG 3.24Å; L818-L822 WeakPolarHBondContact O-CG 3.49Å; L818-L822 PolarHBondContact O-N 3.21Å; L822-N826 WeakPolarHBondContact O-CB 3.44Å; L822-N826 PolarHBondContact O-N 3.12Å |
| 823 | R | 95.1 | Very high | 92.1 | Very high | 110 Ų | 110 | 92.3 Ų | 92.3 | 42% | 0.415 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62 | -51.3 | 172.4 | -171.9 | -174.8 | 71.2 | 79.1 | 3.2 | 110.9 | T819 E820 N821 Q825 N826 E827 | T819-R823 WeakPolarHBondContact O-CB 3.4Å; T819-R823 PolarHBondContact O-N 3.13Å; E820-R823 WeakPolarHBondContact O-CB 3.09Å; E820-R823 PolarHBondContact O-N 2.89Å; E820-R823 IonicContact OE1-CZ 2.68Å; E820-R823 IonicContact OE1-NE 3.75Å; E820-R823 IonicContact OE1-NH2 2.7Å; E820-R823 PolarHBondContact OE1-NH2 2.64Å; E820-R823 IonicContact OE2-CZ 2.65Å; E820-R823 IonicContact OE2-NE 3.62Å; E820-R823 PolarHBondContact OE2-NE 3.07Å; E820-R823 IonicContact OE2-NH2 2.59Å; E820-R823 PolarHBondContact OE2-NH2 3.43Å; N821-R823 VanDerWaalsContact C-N 3.32Å; N821-R823 PolarHBondContact O-N 2.88Å; R823-Q825 PolarHBondContact O-N 3.05Å; R823-N826 PolarHBondContact O-N 2.72Å; R823-E827 WeakPolarHBondContact CG-OE1 3.32Å; R823-E827 IonicContact CZ-OE1 3.3Å; R823-E827 IonicContact CZ-OE2 2.65Å; R823-E827 IonicContact NH1-OE1 3.49Å; R823-E827 PolarHBondContact NH1-OE1 3.27Å; R823-E827 IonicContact NH1-OE2 2.69Å; R823-E827 PolarHBondContact NH1-OE2 2.95Å; R823-E827 WeakPolarHBondContact O-CB 3.41Å; R823-E827 WeakPolarHBondContact O-CG 3.49Å; R823-E827 PolarHBondContact O-N 3.39Å |
| 824 | V | 91.9 | Very high | 92.4 | Very high | 63 Ų | 63 | 94.2 Ų | 94.2 | 38% | 0.382 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 179.1 | 172.6 | 0 | 0 | 0 | 0 | 111.8 | E820 N821 E827 T828 | E820-V824 WeakPolarHBondContact O-CG2 3.26Å; E820-V824 PolarHBondContact O-N 3.22Å; N821-V824 PolarHBondContact O-N 3.09Å; V824-E827 PolarHBondContact O-N 3.32Å; V824-T828 HydrophobicContact CG1-CG2 4.42Å; V824-T828 WeakPolarHBondContact O-CB 3.43Å; V824-T828 WeakPolarHBondContact O-CG2 3.26Å; V824-T828 PolarHBondContact O-N 2.71Å; V824-T828 PolarHBondContact O-OG1 3.47Å |
| 825 | Q | 91.3 | Very high | 92.6 | Very high | 105 Ų | 105 | 94.4 Ų | 94.4 | 49% | 0.491 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 172.8 | -73.8 | 179.2 | 27.6 | 0 | 0 | 111.8 | N821 R823 T828 A829 | N821-Q825 WeakPolarHBondContact O-CB 3.47Å; N821-Q825 VanDerWaalsContact O-CG 3.28Å; N821-Q825 WeakPolarHBondContact O-CG 3.23Å; N821-Q825 PolarHBondContact O-N 3.38Å; N821-Q825 PolarHBondContact OD1-NE2 3Å; R823-Q825 PolarHBondContact O-N 3.05Å; Q825-T828 WeakPolarHBondContact CA-OG1 3.48Å; Q825-T828 PolarHBondContact O-OG1 3.24Å; Q825-T828 VanDerWaalsContact O-OG1 3.07Å; Q825-A829 WeakPolarHBondContact O-CB 3.33Å; Q825-A829 PolarHBondContact O-N 2.84Å |
| 826 | N | 92.8 | Very high | 92.7 | Very high | 96 Ų | 96 | 94.7 Ų | 94.7 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.1 | -35.3 | 177.3 | -167.6 | 7.5 | 0 | 0 | 0 | 112.3 | L822 R823 S830 R833 | L822-N826 WeakPolarHBondContact O-CB 3.44Å; L822-N826 PolarHBondContact O-N 3.12Å; R823-N826 PolarHBondContact O-N 2.72Å; N826-S830 WeakPolarHBondContact O-CB 3.38Å; N826-S830 PolarHBondContact O-N 3.4Å; N826-S830 PolarHBondContact O-OG 2.77Å; N826-S830 PolarHBondContact OD1-OG 3.16Å; N826-R833 PolarHBondContact OD1-NH2 2.57Å |
| 827 | E | 93.2 | Very high | 92.8 | Very high | 103 Ų | 103 | 91.3 Ų | 91.3 | 48% | 0.481 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.9 | -44.9 | 174.9 | -77.4 | 173.3 | -166.2 | 0 | 0 | 112.1 | R823 V824 S830 F831 | R823-E827 WeakPolarHBondContact CG-OE1 3.32Å; R823-E827 IonicContact CZ-OE1 3.3Å; R823-E827 IonicContact CZ-OE2 2.65Å; R823-E827 IonicContact NH1-OE1 3.49Å; R823-E827 PolarHBondContact NH1-OE1 3.27Å; R823-E827 IonicContact NH1-OE2 2.69Å; R823-E827 PolarHBondContact NH1-OE2 2.95Å; R823-E827 WeakPolarHBondContact O-CB 3.41Å; R823-E827 WeakPolarHBondContact O-CG 3.49Å; R823-E827 PolarHBondContact O-N 3.39Å; V824-E827 PolarHBondContact O-N 3.32Å; E827-S830 PolarHBondContact O-N 2.8Å; E827-F831 WeakPolarHBondContact O-CB 3.49Å; E827-F831 PolarHBondContact O-N 3.15Å |
| 828 | T | 92.3 | Very high | 93.1 | Very high | 69 Ų | 69 | 94 Ų | 94 | 42% | 0.423 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 174.6 | 51.6 | 0 | 0 | 0 | 0 | 111.9 | V824 Q825 S830 F831 W832 | V824-T828 HydrophobicContact CG1-CG2 4.42Å; V824-T828 WeakPolarHBondContact O-CB 3.43Å; V824-T828 WeakPolarHBondContact O-CG2 3.26Å; V824-T828 PolarHBondContact O-N 2.71Å; V824-T828 PolarHBondContact O-OG1 3.47Å; Q825-T828 WeakPolarHBondContact CA-OG1 3.48Å; Q825-T828 PolarHBondContact O-OG1 3.24Å; Q825-T828 VanDerWaalsContact O-OG1 3.07Å; T828-S830 VanDerWaalsContact C-N 3.3Å; T828-S830 PolarHBondContact O-N 3.43Å; T828-F831 WeakPolarHBondContact O-CB 3.21Å; T828-F831 PolarHBondContact O-N 3.45Å; T828-W832 PolarHBondContact O-N 2.9Å |
| 829 | A | 91.3 | Very high | 93.2 | Very high | 40 Ų | 40 | 95.1 Ų | 95.1 | 33% | 0.331 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q825 W832 R833 | Q825-A829 WeakPolarHBondContact O-CB 3.33Å; Q825-A829 PolarHBondContact O-N 2.84Å; A829-W832 PolarHBondContact O-N 2.89Å; A829-R833 WeakPolarHBondContact O-CB 3.43Å; A829-R833 VanDerWaalsContact O-CG 3.3Å; A829-R833 WeakPolarHBondContact O-CG 3.48Å; A829-R833 PolarHBondContact O-N 2.93Å; A829-R833 PolarHBondContact O-NE 2.76Å |
| 830 | S | 93.2 | Very high | 93.3 | Very high | 44 Ų | 44 | 96.4 Ų | 96.4 | 31% | 0.308 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.3 | -38.6 | 175.4 | -62.6 | 0 | 0 | 0 | 0 | 112.1 | N826 E827 T828 R833 L834 | N826-S830 WeakPolarHBondContact O-CB 3.38Å; N826-S830 PolarHBondContact O-N 3.4Å; N826-S830 PolarHBondContact O-OG 2.77Å; N826-S830 PolarHBondContact OD1-OG 3.16Å; E827-S830 PolarHBondContact O-N 2.8Å; T828-S830 VanDerWaalsContact C-N 3.3Å; T828-S830 PolarHBondContact O-N 3.43Å; S830-R833 PolarHBondContact O-N 3.43Å; S830-R833 PolarHBondContact OG-NH1 3.28Å; S830-R833 PolarHBondContact OG-NH2 2.85Å; S830-L834 WeakPolarHBondContact O-CB 3.39Å; S830-L834 PolarHBondContact O-N 3.07Å |
| 831 | F | 95.6 | Very high | 93.5 | Very high | 117 Ų | 117 | 97.2 Ų | 97.2 | 51% | 0.513 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 170.8 | 169.7 | -95.1 | 0 | 0 | 0 | 111.7 | E827 T828 L834 K835 | E827-F831 WeakPolarHBondContact O-CB 3.49Å; E827-F831 PolarHBondContact O-N 3.15Å; T828-F831 WeakPolarHBondContact O-CB 3.21Å; T828-F831 PolarHBondContact O-N 3.45Å; F831-L834 PolarHBondContact O-N 2.95Å; F831-K835 HydrophobicContact CE1-CD 3.85Å; F831-K835 HydrophobicContact CZ-CD 3.99Å; F831-K835 VanDerWaalsContact O-CB 3.24Å; F831-K835 WeakPolarHBondContact O-CB 3.5Å; F831-K835 PolarHBondContact O-N 3.07Å |
| 832 | W | 97.4 | Very high | 93.6 | Very high | 141 Ų | 141 | 97.2 Ų | 97.2 | 53% | 0.534 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 177.1 | -74 | 114.6 | 0 | 0 | 0 | 112.3 | T828 A829 L834 K835 L836 | T828-W832 PolarHBondContact O-N 2.9Å; A829-W832 PolarHBondContact O-N 2.89Å; W832-L834 PolarHBondContact O-N 2.93Å; W832-K835 HydrophobicContact CE3-CD 3.8Å; W832-K835 HydrophobicContact CH2-CD 4.5Å; W832-K835 VanDerWaalsContact CH2-NZ 3.29Å; W832-K835 HydrophobicContact CZ3-CD 3.71Å; W832-K835 PolarHBondContact O-N 3.01Å; W832-L836 WeakPolarHBondContact O-CB 3.43Å; W832-L836 VanDerWaalsContact O-CG 3.31Å; W832-L836 WeakPolarHBondContact O-CG 3.39Å; W832-L836 PolarHBondContact O-N 3.22Å |
| 833 | R | 94.6 | Very high | 93.7 | Very high | 137 Ų | 137 | 97.9 Ų | 97.9 | 52% | 0.517 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -56.2 | -46.9 | 170.7 | -79.1 | 179.1 | -100.6 | 124.9 | -5.6 | 111.9 | N826 A829 S830 S837 | N826-R833 PolarHBondContact OD1-NH2 2.57Å; A829-R833 WeakPolarHBondContact O-CB 3.43Å; A829-R833 VanDerWaalsContact O-CG 3.3Å; A829-R833 WeakPolarHBondContact O-CG 3.48Å; A829-R833 PolarHBondContact O-N 2.93Å; A829-R833 PolarHBondContact O-NE 2.76Å; S830-R833 PolarHBondContact O-N 3.43Å; S830-R833 PolarHBondContact OG-NH1 3.28Å; S830-R833 PolarHBondContact OG-NH2 2.85Å; R833-S837 WeakPolarHBondContact O-CB 3.41Å; R833-S837 PolarHBondContact O-N 3.44Å |
| 834 | L | 95 | Very high | 93.7 | Very high | 126 Ų | 126 | 96.3 Ų | 96.3 | 66% | 0.66 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.1 | -40.6 | 177.2 | -179.4 | 62.3 | 0 | 0 | 0 | 112.3 | S830 F831 W832 K838 | S830-L834 WeakPolarHBondContact O-CB 3.39Å; S830-L834 PolarHBondContact O-N 3.07Å; F831-L834 PolarHBondContact O-N 2.95Å; W832-L834 PolarHBondContact O-N 2.93Å; L834-K838 WeakPolarHBondContact O-CB 3.32Å; L834-K838 PolarHBondContact O-N 3.13Å |
| 835 | K | 95.2 | Very high | 93.8 | Very high | 94 Ų | 94 | 99.2 Ų | 99.2 | 41% | 0.409 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.5 | -40.8 | 178.7 | -174.4 | 172.2 | 172 | -173.3 | 0 | 111.9 | F831 W832 K838 M839 | F831-K835 HydrophobicContact CE1-CD 3.85Å; F831-K835 HydrophobicContact CZ-CD 3.99Å; F831-K835 VanDerWaalsContact O-CB 3.24Å; F831-K835 WeakPolarHBondContact O-CB 3.5Å; F831-K835 PolarHBondContact O-N 3.07Å; W832-K835 HydrophobicContact CE3-CD 3.8Å; W832-K835 HydrophobicContact CH2-CD 4.5Å; W832-K835 VanDerWaalsContact CH2-NZ 3.29Å; W832-K835 HydrophobicContact CZ3-CD 3.71Å; W832-K835 PolarHBondContact O-N 3.01Å; K835-K838 PolarHBondContact O-N 3.01Å; K835-M839 VanDerWaalsContact O-CG 3.32Å; K835-M839 WeakPolarHBondContact O-CG 3.4Å; K835-M839 PolarHBondContact O-N 3.17Å |
| 836 | L | 92.8 | Very high | 93.9 | Very high | 103 Ų | 103 | 101.2 Ų | 101.2 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.5 | -52 | 171.7 | -74.8 | 169.1 | 0 | 0 | 0 | 110.6 | W832 K838 M839 E840 | W832-L836 WeakPolarHBondContact O-CB 3.43Å; W832-L836 VanDerWaalsContact O-CG 3.31Å; W832-L836 WeakPolarHBondContact O-CG 3.39Å; W832-L836 PolarHBondContact O-N 3.22Å; L836-K838 PolarHBondContact O-N 3.43Å; L836-M839 CarbonylContact O-C 3.55Å; L836-M839 WeakPolarHBondContact O-CA 3.39Å; L836-M839 WeakPolarHBondContact O-CB 3.44Å; L836-M839 PolarHBondContact O-N 2.83Å; L836-E840 WeakPolarHBondContact O-CG 3.44Å; L836-E840 PolarHBondContact O-N 2.84Å |
| 837 | S | 93.9 | Very high | 93.9 | Very high | 46 Ų | 46 | 102 Ų | 102 | 32% | 0.322 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.9 | -36.4 | 177.7 | -170.5 | 0 | 0 | 0 | 0 | 112.9 | R833 E840 Q841 | R833-S837 WeakPolarHBondContact O-CB 3.41Å; R833-S837 PolarHBondContact O-N 3.44Å; S837-E840 WeakPolarHBondContact CA-OE2 3.36Å; S837-E840 PolarHBondContact O-N 2.61Å; S837-Q841 WeakPolarHBondContact O-CB 3.47Å; S837-Q841 VanDerWaalsContact O-CG 3.23Å; S837-Q841 WeakPolarHBondContact O-CG 3.43Å; S837-Q841 PolarHBondContact O-N 2.85Å |
| 838 | K | 94.6 | Very high | 94 | Very high | 134 Ų | 134 | 102.1 Ų | 102.1 | 58% | 0.583 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.3 | -38.4 | 173.2 | -173.3 | 176.6 | 179.8 | 179.3 | 0 | 112.7 | L834 K835 L836 Q842 | L834-K838 WeakPolarHBondContact O-CB 3.32Å; L834-K838 PolarHBondContact O-N 3.13Å; K835-K838 PolarHBondContact O-N 3.01Å; L836-K838 PolarHBondContact O-N 3.43Å; K838-Q842 WeakPolarHBondContact O-CG 3.39Å; K838-Q842 PolarHBondContact O-N 2.85Å |
| 839 | M | 92.5 | Very high | 94.1 | Very high | 114 Ų | 114 | 106 Ų | 106 | 56% | 0.562 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -71.7 | -40.7 | 175.4 | -68.1 | -64.3 | -67.5 | 0 | 0 | 111.8 | K835 L836 Q842 L843 | K835-M839 VanDerWaalsContact O-CG 3.32Å; K835-M839 WeakPolarHBondContact O-CG 3.4Å; K835-M839 PolarHBondContact O-N 3.17Å; L836-M839 CarbonylContact O-C 3.55Å; L836-M839 WeakPolarHBondContact O-CA 3.39Å; L836-M839 WeakPolarHBondContact O-CB 3.44Å; L836-M839 PolarHBondContact O-N 2.83Å; M839-Q842 WeakPolarHBondContact O-CB 3.3Å; M839-Q842 PolarHBondContact O-N 2.73Å; M839-Q842 VanDerWaalsContact O-N 3.1Å; M839-L843 WeakPolarHBondContact O-CB 3.39Å; M839-L843 PolarHBondContact O-N 3.34Å |
| 840 | E | 94.7 | Very high | 94.2 | Very high | 123 Ų | 123 | 109.2 Ų | 109.2 | 58% | 0.575 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.4 | -45.9 | 173.2 | -69.5 | 170.5 | 159.7 | 0 | 0 | 111.2 | L836 S837 Q842 L843 E844 | L836-E840 WeakPolarHBondContact O-CG 3.44Å; L836-E840 PolarHBondContact O-N 2.84Å; S837-E840 WeakPolarHBondContact CA-OE2 3.36Å; S837-E840 PolarHBondContact O-N 2.61Å; E840-Q842 PolarHBondContact O-N 3.4Å; E840-L843 PolarHBondContact O-N 2.94Å; E840-E844 VanDerWaalsContact O-CB 3.23Å; E840-E844 WeakPolarHBondContact O-CB 3.46Å; E840-E844 PolarHBondContact O-N 3.27Å |
| 841 | Q | 93.4 | Very high | 94.3 | Very high | 106 Ų | 106 | 110.8 Ų | 110.8 | 50% | 0.495 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -26.8 | 174.2 | -74.3 | 176.2 | 39.4 | 0 | 0 | 113.6 | S837 K845 | S837-Q841 WeakPolarHBondContact O-CB 3.47Å; S837-Q841 VanDerWaalsContact O-CG 3.23Å; S837-Q841 WeakPolarHBondContact O-CG 3.43Å; S837-Q841 PolarHBondContact O-N 2.85Å; Q841-K845 WeakPolarHBondContact O-CD 3.45Å; Q841-K845 WeakPolarHBondContact O-CG 3.37Å; Q841-K845 PolarHBondContact O-N 3.25Å |
| 842 | Q | 94 | Very high | 94.2 | Very high | 84 Ų | 84 | 110.5 Ų | 110.5 | 39% | 0.393 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -77.5 | -47 | 171.8 | -75 | -178.6 | -4.2 | 0 | 0 | 110.9 | K838 M839 E840 E844 K845 Y846 | K838-Q842 WeakPolarHBondContact O-CG 3.39Å; K838-Q842 PolarHBondContact O-N 2.85Å; M839-Q842 WeakPolarHBondContact O-CB 3.3Å; M839-Q842 PolarHBondContact O-N 2.73Å; M839-Q842 VanDerWaalsContact O-N 3.1Å; E840-Q842 PolarHBondContact O-N 3.4Å; Q842-E844 VanDerWaalsContact C-N 3.29Å; Q842-E844 PolarHBondContact O-N 2.85Å; Q842-K845 CarbonylContact O-C 3.55Å; Q842-K845 WeakPolarHBondContact O-CA 3.38Å; Q842-K845 WeakPolarHBondContact O-CB 3.32Å; Q842-K845 PolarHBondContact O-N 3.22Å; Q842-Y846 HydrophobicContact CB-CE2 4.39Å; Q842-Y846 WeakPolarHBondContact O-CD2 3.28Å; Q842-Y846 PolarHBondContact O-N 3.1Å |
| 843 | L | 93.6 | Very high | 94 | Very high | 100 Ų | 100 | 109.4 Ų | 109.4 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.3 | -41.3 | 177.9 | -169.3 | 156 | 0 | 0 | 0 | 111.3 | M839 E840 Y846 K847 | M839-L843 WeakPolarHBondContact O-CB 3.39Å; M839-L843 PolarHBondContact O-N 3.34Å; E840-L843 PolarHBondContact O-N 2.94Å; L843-Y846 PolarHBondContact O-N 3.02Å; L843-K847 HydrophobicContact CD2-CD 3.87Å; L843-K847 VanDerWaalsContact CD2-CE 3.48Å; L843-K847 HydrophobicContact CD2-CG 4.18Å; L843-K847 PolarHBondContact O-N 2.82Å |
| 844 | E | 94.3 | Very high | 94.1 | Very high | 77 Ų | 77 | 109 Ų | 109 | 36% | 0.36 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.2 | -34.9 | 174.8 | -177.9 | 60.6 | -168.6 | 0 | 0 | 113 | E840 Q842 K848 | E840-E844 VanDerWaalsContact O-CB 3.23Å; E840-E844 WeakPolarHBondContact O-CB 3.46Å; E840-E844 PolarHBondContact O-N 3.27Å; Q842-E844 VanDerWaalsContact C-N 3.29Å; Q842-E844 PolarHBondContact O-N 2.85Å; E844-K848 PolarHBondContact O-N 3.39Å; E844-K848 VanDerWaalsContact O-N 3.08Å; E844-K848 VanDerWaalsContact OE1-CE 3.3Å; E844-K848 WeakPolarHBondContact OE1-CE 3.44Å; E844-K848 IonicContact OE1-NZ 3.87Å; E844-K848 PolarHBondContact OE1-NZ 2.9Å |
| 845 | K | 93.6 | Very high | 94 | Very high | 124 Ų | 124 | 107.8 Ų | 107.8 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.7 | -32.1 | 171.5 | -73.5 | 165.6 | -170.6 | 165.7 | 0 | 112.1 | Q841 Q842 R849 | Q841-K845 WeakPolarHBondContact O-CD 3.45Å; Q841-K845 WeakPolarHBondContact O-CG 3.37Å; Q841-K845 PolarHBondContact O-N 3.25Å; Q842-K845 CarbonylContact O-C 3.55Å; Q842-K845 WeakPolarHBondContact O-CA 3.38Å; Q842-K845 WeakPolarHBondContact O-CB 3.32Å; Q842-K845 PolarHBondContact O-N 3.22Å; K845-R849 VanDerWaalsContact O-CG 3.31Å; K845-R849 WeakPolarHBondContact O-CG 3.08Å; K845-R849 PolarHBondContact O-N 2.89Å |
| 846 | Y | 93 | Very high | 94 | Very high | 148 Ų | 148 | 108.2 Ų | 108.2 | 58% | 0.58 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -74.3 | -39.6 | 173.9 | -73.9 | -64.7 | 0 | 0 | 0 | 112.2 | Q842 L843 R849 L850 | Q842-Y846 HydrophobicContact CB-CE2 4.39Å; Q842-Y846 WeakPolarHBondContact O-CD2 3.28Å; Q842-Y846 PolarHBondContact O-N 3.1Å; L843-Y846 PolarHBondContact O-N 3.02Å; Y846-R849 PolarHBondContact O-N 3.48Å; Y846-L850 WeakPolarHBondContact O-CB 3.48Å; Y846-L850 PolarHBondContact O-N 3.26Å |
| 847 | K | 94.5 | Very high | 94.1 | Very high | 111 Ų | 111 | 109.2 Ų | 109.2 | 48% | 0.483 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -54.8 | -56.8 | 170.1 | -80.3 | 176.9 | 172.1 | 172.5 | 0 | 111.1 | L843 R849 L850 D851 | L843-K847 HydrophobicContact CD2-CD 3.87Å; L843-K847 VanDerWaalsContact CD2-CE 3.48Å; L843-K847 HydrophobicContact CD2-CG 4.18Å; L843-K847 PolarHBondContact O-N 2.82Å; K847-R849 VanDerWaalsContact C-N 3.26Å; K847-R849 PolarHBondContact O-N 3.21Å; K847-L850 CarbonylContact O-C 3.53Å; K847-L850 WeakPolarHBondContact O-CA 3.39Å; K847-L850 VanDerWaalsContact O-CB 3.3Å; K847-L850 WeakPolarHBondContact O-CB 3.37Å; K847-L850 PolarHBondContact O-N 3.34Å; K847-D851 PolarHBondContact O-N 2.83Å |
| 848 | K | 94.4 | Very high | 94.1 | Very high | 106 Ų | 106 | 109.4 Ų | 109.4 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56 | -38 | 179.6 | -79.5 | 167.4 | 168.7 | 139.5 | 0 | 113.5 | E844 D851 E852 | E844-K848 PolarHBondContact O-N 3.39Å; E844-K848 VanDerWaalsContact O-N 3.08Å; E844-K848 VanDerWaalsContact OE1-CE 3.3Å; E844-K848 WeakPolarHBondContact OE1-CE 3.44Å; E844-K848 IonicContact OE1-NZ 3.87Å; E844-K848 PolarHBondContact OE1-NZ 2.9Å; K848-D851 PolarHBondContact O-N 3.19Å; K848-E852 VanDerWaalsContact O-CB 3.29Å; K848-E852 WeakPolarHBondContact O-CB 3.35Å; K848-E852 WeakPolarHBondContact O-CG 3.27Å; K848-E852 PolarHBondContact O-N 3.36Å |
| 849 | R | 94.6 | Very high | 94.1 | Very high | 151 Ų | 151 | 107.7 Ų | 107.7 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.5 | -32.2 | 172.7 | -75.5 | 172.1 | 172.8 | -177.1 | -3.6 | 113.8 | K845 Y846 K847 K853 | K845-R849 VanDerWaalsContact O-CG 3.31Å; K845-R849 WeakPolarHBondContact O-CG 3.08Å; K845-R849 PolarHBondContact O-N 2.89Å; Y846-R849 PolarHBondContact O-N 3.48Å; K847-R849 VanDerWaalsContact C-N 3.26Å; K847-R849 PolarHBondContact O-N 3.21Å; R849-K853 WeakPolarHBondContact O-CB 3.36Å; R849-K853 WeakPolarHBondContact O-CG 3.26Å; R849-K853 PolarHBondContact O-N 3.38Å; R849-K853 VanDerWaalsContact O-N 3.1Å |
| 850 | L | 93.5 | Very high | 94.2 | Very high | 108 Ų | 108 | 104.8 Ų | 104.8 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -71.3 | -46.6 | 174.3 | -163.2 | 160.8 | 0 | 0 | 0 | 109.5 | Y846 K847 E852 K853 E854 | Y846-L850 WeakPolarHBondContact O-CB 3.48Å; Y846-L850 PolarHBondContact O-N 3.26Å; K847-L850 CarbonylContact O-C 3.53Å; K847-L850 WeakPolarHBondContact O-CA 3.39Å; K847-L850 VanDerWaalsContact O-CB 3.3Å; K847-L850 WeakPolarHBondContact O-CB 3.37Å; K847-L850 PolarHBondContact O-N 3.34Å; L850-E852 PolarHBondContact O-N 3Å; L850-K853 CarbonylContact O-C 3.55Å; L850-K853 PolarHBondContact O-N 2.92Å; L850-K853 VanDerWaalsContact O-N 3.08Å; L850-E854 PolarHBondContact O-N 2.91Å |
| 851 | D | 94.2 | Very high | 94.2 | Very high | 77 Ų | 77 | 104.4 Ų | 104.4 | 41% | 0.412 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.4 | -45.5 | 174.3 | -51.1 | -34.6 | 0 | 0 | 0 | 111 | K847 K848 K853 E854 N855 | K847-D851 PolarHBondContact O-N 2.83Å; K848-D851 PolarHBondContact O-N 3.19Å; D851-K853 VanDerWaalsContact C-N 3.32Å; D851-K853 PolarHBondContact O-N 3.44Å; D851-E854 PolarHBondContact O-N 2.86Å; D851-N855 WeakPolarHBondContact O-CB 3.18Å; D851-N855 PolarHBondContact O-N 3.22Å; D851-N855 PolarHBondContact O-ND2 3.43Å |
| 852 | E | 95.2 | Very high | 94.2 | Very high | 110 Ų | 110 | 104.5 Ų | 104.5 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -55.8 | -44.7 | 172.8 | -78.3 | 161.4 | -171.5 | 0 | 0 | 111.4 | K848 L850 N855 E856 | K848-E852 VanDerWaalsContact O-CB 3.29Å; K848-E852 WeakPolarHBondContact O-CB 3.35Å; K848-E852 WeakPolarHBondContact O-CG 3.27Å; K848-E852 PolarHBondContact O-N 3.36Å; L850-E852 PolarHBondContact O-N 3Å; E852-N855 PolarHBondContact O-N 3.5Å; E852-E856 WeakPolarHBondContact O-CG 3.35Å; E852-E856 PolarHBondContact O-N 3.4Å |
| 853 | K | 92.9 | Very high | 94.2 | Very high | 119 Ų | 119 | 108.2 Ų | 108.2 | 52% | 0.517 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -76.2 | -31.3 | -179.4 | -69.4 | -66.4 | 170.8 | -141.3 | 0 | 114 | R849 L850 D851 E856 L857 | R849-K853 WeakPolarHBondContact O-CB 3.36Å; R849-K853 WeakPolarHBondContact O-CG 3.26Å; R849-K853 PolarHBondContact O-N 3.38Å; R849-K853 VanDerWaalsContact O-N 3.1Å; L850-K853 CarbonylContact O-C 3.55Å; L850-K853 PolarHBondContact O-N 2.92Å; L850-K853 VanDerWaalsContact O-N 3.08Å; D851-K853 VanDerWaalsContact C-N 3.32Å; D851-K853 PolarHBondContact O-N 3.44Å; K853-E856 WeakPolarHBondContact CD-OE2 3.38Å; K853-E856 IonicContact NZ-OE1 2.7Å; K853-E856 PolarHBondContact NZ-OE1 3.08Å; K853-E856 IonicContact NZ-OE2 3.64Å; K853-E856 PolarHBondContact NZ-OE2 3.03Å; K853-L857 VanDerWaalsContact O-CB 3.26Å; K853-L857 WeakPolarHBondContact O-CB 3.44Å; K853-L857 PolarHBondContact O-N 3.46Å |
| 854 | E | 95.6 | Very high | 94.2 | Very high | 129 Ų | 129 | 109.4 Ų | 109.4 | 60% | 0.603 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.5 | -40.2 | 171.1 | -174.2 | 167.5 | -174.5 | 0 | 0 | 110.6 | L850 D851 L857 S858 | L850-E854 PolarHBondContact O-N 2.91Å; D851-E854 PolarHBondContact O-N 2.86Å; E854-L857 PolarHBondContact O-N 3.32Å; E854-S858 WeakPolarHBondContact O-CB 3.44Å; E854-S858 PolarHBondContact O-N 3.41Å |
| 855 | N | 94.2 | Very high | 94.1 | Very high | 100 Ų | 100 | 107.4 Ų | 107.4 | 54% | 0.535 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -49.3 | 171.9 | -78 | -66.6 | 0 | 0 | 0 | 111.7 | D851 E852 L857 S858 E859 | D851-N855 WeakPolarHBondContact O-CB 3.18Å; D851-N855 PolarHBondContact O-N 3.22Å; D851-N855 PolarHBondContact O-ND2 3.43Å; E852-N855 PolarHBondContact O-N 3.5Å; N855-L857 VanDerWaalsContact C-N 3.31Å; N855-L857 PolarHBondContact O-N 2.99Å; N855-S858 PolarHBondContact O-N 2.93Å; N855-S858 VanDerWaalsContact O-N 3.15Å; N855-S858 PolarHBondContact O-OG 3.43Å; N855-E859 PolarHBondContact O-N 3.09Å |
| 856 | E | 94.7 | Very high | 94.1 | Very high | 103 Ų | 103 | 107.1 Ų | 107.1 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -55.1 | -43.8 | 173.8 | -80 | 176.5 | -144.4 | 0 | 0 | 112.5 | E852 K853 E859 A860 | E852-E856 WeakPolarHBondContact O-CG 3.35Å; E852-E856 PolarHBondContact O-N 3.4Å; K853-E856 WeakPolarHBondContact CD-OE2 3.38Å; K853-E856 IonicContact NZ-OE1 2.7Å; K853-E856 PolarHBondContact NZ-OE1 3.08Å; K853-E856 IonicContact NZ-OE2 3.64Å; K853-E856 PolarHBondContact NZ-OE2 3.03Å; E856-E859 PolarHBondContact O-N 2.86Å; E856-A860 WeakPolarHBondContact O-CB 3.38Å; E856-A860 PolarHBondContact O-N 3.4Å |
| 857 | L | 95 | Very high | 94.1 | Very high | 124 Ų | 124 | 105.6 Ų | 105.6 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.9 | -39.2 | 178.1 | -176.4 | 64.6 | 0 | 0 | 0 | 111.7 | K853 E854 N855 A860 N861 | K853-L857 VanDerWaalsContact O-CB 3.26Å; K853-L857 WeakPolarHBondContact O-CB 3.44Å; K853-L857 PolarHBondContact O-N 3.46Å; E854-L857 PolarHBondContact O-N 3.32Å; N855-L857 VanDerWaalsContact C-N 3.31Å; N855-L857 PolarHBondContact O-N 2.99Å; L857-A860 PolarHBondContact O-N 2.86Å; L857-N861 VanDerWaalsContact O-CB 3.29Å; L857-N861 WeakPolarHBondContact O-CB 3.47Å; L857-N861 PolarHBondContact O-N 3.36Å |
| 858 | S | 94.1 | Very high | 94.1 | Very high | 50 Ų | 50 | 106.8 Ų | 106.8 | 35% | 0.35 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 175.7 | 83.1 | 0 | 0 | 0 | 0 | 111.5 | E854 N855 N861 I862 | E854-S858 WeakPolarHBondContact O-CB 3.44Å; E854-S858 PolarHBondContact O-N 3.41Å; N855-S858 PolarHBondContact O-N 2.93Å; N855-S858 VanDerWaalsContact O-N 3.15Å; N855-S858 PolarHBondContact O-OG 3.43Å; S858-N861 PolarHBondContact O-N 2.78Å; S858-I862 WeakPolarHBondContact O-CB 3.38Å; S858-I862 VanDerWaalsContact O-CG1 3.26Å; S858-I862 WeakPolarHBondContact O-CG1 3.33Å; S858-I862 PolarHBondContact O-N 2.99Å |
| 859 | E | 95.3 | Very high | 94 | Very high | 98 Ų | 98 | 104.1 Ų | 104.1 | 46% | 0.458 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 173.5 | -86 | -155.9 | -139 | 0 | 0 | 111.5 | N855 E856 N861 I862 R863 | N855-E859 PolarHBondContact O-N 3.09Å; E856-E859 PolarHBondContact O-N 2.86Å; E859-N861 VanDerWaalsContact C-N 3.31Å; E859-N861 PolarHBondContact O-N 3Å; E859-I862 PolarHBondContact O-N 3.34Å; E859-R863 WeakPolarHBondContact O-CB 3.37Å; E859-R863 WeakPolarHBondContact O-CG 3.39Å; E859-R863 PolarHBondContact O-N 3.21Å; E859-R863 IonicContact OE2-CZ 3.68Å; E859-R863 IonicContact OE2-NE 3.38Å; E859-R863 PolarHBondContact OE2-NE 2.83Å; E859-R863 IonicContact OE2-NH2 2.71Å; E859-R863 PolarHBondContact OE2-NH2 2.95Å |
| 860 | A | 93.6 | Very high | 94 | Very high | 52 Ų | 52 | 101.7 Ų | 101.7 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E856 L857 R863 F864 | E856-A860 WeakPolarHBondContact O-CB 3.38Å; E856-A860 PolarHBondContact O-N 3.4Å; L857-A860 PolarHBondContact O-N 2.86Å; A860-R863 PolarHBondContact O-N 3.05Å; A860-F864 VanDerWaalsContact O-CB 3.31Å; A860-F864 WeakPolarHBondContact O-CB 3.47Å; A860-F864 PolarHBondContact O-N 3.39Å |
| 861 | N | 94.7 | Very high | 93.9 | Very high | 115 Ų | 115 | 100.6 Ų | 100.6 | 62% | 0.615 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.5 | -37.3 | 176.8 | -167.4 | 21.9 | 0 | 0 | 0 | 112.3 | L857 S858 E859 G865 | L857-N861 VanDerWaalsContact O-CB 3.29Å; L857-N861 WeakPolarHBondContact O-CB 3.47Å; L857-N861 PolarHBondContact O-N 3.36Å; S858-N861 PolarHBondContact O-N 2.78Å; E859-N861 VanDerWaalsContact C-N 3.31Å; E859-N861 PolarHBondContact O-N 3Å; N861-G865 PolarHBondContact O-N 3.31Å |
| 862 | I | 94 | Very high | 93.8 | Very high | 108 Ų | 108 | 99 Ų | 99 | 55% | 0.554 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.8 | -46.3 | 172.5 | -70.5 | 163.9 | 0 | 0 | 0 | 110.6 | S858 E859 G865 L866 | S858-I862 WeakPolarHBondContact O-CB 3.38Å; S858-I862 VanDerWaalsContact O-CG1 3.26Å; S858-I862 WeakPolarHBondContact O-CG1 3.33Å; S858-I862 PolarHBondContact O-N 2.99Å; E859-I862 PolarHBondContact O-N 3.34Å; I862-G865 PolarHBondContact O-N 3.2Å; I862-L866 HydrophobicContact CG2-CD1 4.03Å; I862-L866 HydrophobicContact CG2-CG 4.48Å; I862-L866 WeakPolarHBondContact O-CB 3.31Å; I862-L866 WeakPolarHBondContact O-CG 3.48Å; I862-L866 PolarHBondContact O-N 2.97Å |
| 863 | R | 93.5 | Very high | 93.6 | Very high | 162 Ų | 162 | 99 Ų | 99 | 61% | 0.611 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.7 | -47.8 | 176.7 | -70.1 | 169.6 | -167.8 | -149.3 | 8.8 | 111.1 | E859 A860 G865 L866 E867 | E859-R863 WeakPolarHBondContact O-CB 3.37Å; E859-R863 WeakPolarHBondContact O-CG 3.39Å; E859-R863 PolarHBondContact O-N 3.21Å; E859-R863 IonicContact OE2-CZ 3.68Å; E859-R863 IonicContact OE2-NE 3.38Å; E859-R863 PolarHBondContact OE2-NE 2.83Å; E859-R863 IonicContact OE2-NH2 2.71Å; E859-R863 PolarHBondContact OE2-NH2 2.95Å; A860-R863 PolarHBondContact O-N 3.05Å; R863-G865 VanDerWaalsContact C-N 3.34Å; R863-G865 PolarHBondContact O-N 3.29Å; R863-L866 PolarHBondContact O-N 2.97Å; R863-E867 WeakPolarHBondContact O-CB 3.33Å; R863-E867 PolarHBondContact O-N 3.49Å |
| 864 | F | 92.7 | Very high | 93.5 | Very high | 125 Ų | 125 | 99 Ų | 99 | 55% | 0.548 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -36.1 | 175.4 | -175.8 | -108.9 | 0 | 0 | 0 | 112.4 | A860 K868 | A860-F864 VanDerWaalsContact O-CB 3.31Å; A860-F864 WeakPolarHBondContact O-CB 3.47Å; A860-F864 PolarHBondContact O-N 3.39Å; F864-K868 HydrophobicContact CE1-CD 4.47Å; F864-K868 WeakPolarHBondContact O-CB 3.35Å; F864-K868 PolarHBondContact O-N 2.83Å |
| 865 | G | 93.9 | Very high | 93.3 | Very high | 36 Ų | 36 | 96.6 Ų | 96.6 | 37% | 0.371 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N861 I862 R863 A869 | N861-G865 PolarHBondContact O-N 3.31Å; I862-G865 PolarHBondContact O-N 3.2Å; R863-G865 VanDerWaalsContact C-N 3.34Å; R863-G865 PolarHBondContact O-N 3.29Å; G865-A869 VanDerWaalsContact O-CB 3.25Å; G865-A869 WeakPolarHBondContact O-CB 3.48Å; G865-A869 PolarHBondContact O-N 3.42Å |
| 866 | L | 93.8 | Very high | 93.2 | Very high | 118 Ų | 118 | 99.3 Ų | 99.3 | 62% | 0.618 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.3 | -43.7 | 175.1 | -71.6 | 170.4 | 0 | 0 | 0 | 112 | I862 R863 A869 N870 | I862-L866 HydrophobicContact CG2-CD1 4.03Å; I862-L866 HydrophobicContact CG2-CG 4.48Å; I862-L866 WeakPolarHBondContact O-CB 3.31Å; I862-L866 WeakPolarHBondContact O-CG 3.48Å; I862-L866 PolarHBondContact O-N 2.97Å; R863-L866 PolarHBondContact O-N 2.97Å; L866-A869 PolarHBondContact O-N 2.95Å; L866-N870 VanDerWaalsContact O-CB 3.31Å; L866-N870 WeakPolarHBondContact O-CB 3.34Å; L866-N870 PolarHBondContact O-N 2.9Å |
| 867 | E | 93.1 | Very high | 92.9 | Very high | 116 Ų | 116 | 98.7 Ų | 98.7 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 175.6 | -175.6 | 177.3 | -163 | 0 | 0 | 111.1 | R863 A869 N870 L871 | R863-E867 WeakPolarHBondContact O-CB 3.33Å; R863-E867 PolarHBondContact O-N 3.49Å; E867-A869 VanDerWaalsContact C-N 3.32Å; E867-A869 PolarHBondContact O-N 3.3Å; E867-N870 PolarHBondContact O-N 3.3Å; E867-L871 HydrophobicContact CG-CD1 4.05Å; E867-L871 HydrophobicContact CG-CG 4.47Å; E867-L871 WeakPolarHBondContact O-CB 3.5Å; E867-L871 WeakPolarHBondContact O-CG 3.3Å; E867-L871 PolarHBondContact O-N 3.48Å |
| 868 | K | 93.7 | Very high | 92.6 | Very high | 136 Ų | 136 | 95.1 Ų | 95.1 | 59% | 0.591 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.2 | -37.2 | 174.3 | -176.4 | 175 | -179.5 | 175.6 | 0 | 112.3 | F864 A872 | F864-K868 HydrophobicContact CE1-CD 4.47Å; F864-K868 WeakPolarHBondContact O-CB 3.35Å; F864-K868 PolarHBondContact O-N 2.83Å; K868-A872 WeakPolarHBondContact O-CB 3.33Å; K868-A872 PolarHBondContact O-N 3.15Å |
| 869 | A | 92.1 | Very high | 92.4 | Very high | 50 Ų | 50 | 98.7 Ų | 98.7 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.2 | -40.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | G865 L866 E867 A872 Q873 | G865-A869 VanDerWaalsContact O-CB 3.25Å; G865-A869 WeakPolarHBondContact O-CB 3.48Å; G865-A869 PolarHBondContact O-N 3.42Å; L866-A869 PolarHBondContact O-N 2.95Å; E867-A869 VanDerWaalsContact C-N 3.32Å; E867-A869 PolarHBondContact O-N 3.3Å; A869-A872 CarbonylContact O-C 3.53Å; A869-A872 PolarHBondContact O-N 2.79Å; A869-Q873 WeakPolarHBondContact O-CB 3.2Å; A869-Q873 PolarHBondContact O-N 3.44Å |
| 870 | N | 93.7 | Very high | 92 | Very high | 99 Ų | 99 | 98 Ų | 98 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.2 | -47.9 | 176.5 | -171.6 | 25.3 | 0 | 0 | 0 | 111.3 | L866 E867 A872 Q873 Q874 | L866-N870 VanDerWaalsContact O-CB 3.31Å; L866-N870 WeakPolarHBondContact O-CB 3.34Å; L866-N870 PolarHBondContact O-N 2.9Å; E867-N870 PolarHBondContact O-N 3.3Å; N870-A872 VanDerWaalsContact C-N 3.34Å; N870-A872 PolarHBondContact O-N 2.87Å; N870-Q873 CarbonylContact O-C 3.57Å; N870-Q873 WeakPolarHBondContact O-CA 3.29Å; N870-Q873 WeakPolarHBondContact O-CB 3.38Å; N870-Q873 PolarHBondContact O-N 3.06Å; N870-Q874 WeakPolarHBondContact O-CB 3.46Å; N870-Q874 PolarHBondContact O-N 2.87Å |
| 871 | L | 93 | Very high | 91.8 | Very high | 85 Ų | 85 | 100.7 Ų | 100.7 | 45% | 0.445 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.9 | -43 | 171.7 | -73.2 | 169.8 | 0 | 0 | 0 | 111.3 | E867 Q873 Q874 V875 | E867-L871 HydrophobicContact CG-CD1 4.05Å; E867-L871 HydrophobicContact CG-CG 4.47Å; E867-L871 WeakPolarHBondContact O-CB 3.5Å; E867-L871 WeakPolarHBondContact O-CG 3.3Å; E867-L871 PolarHBondContact O-N 3.48Å; L871-Q873 VanDerWaalsContact C-N 3.27Å; L871-Q873 PolarHBondContact O-N 2.94Å; L871-Q874 PolarHBondContact O-N 3.35Å; L871-V875 WeakPolarHBondContact O-CB 3.4Å; L871-V875 VanDerWaalsContact O-CG2 3.29Å; L871-V875 WeakPolarHBondContact O-CG2 3.48Å; L871-V875 PolarHBondContact O-N 2.89Å |
| 872 | A | 90.8 | Very high | 91.3 | Very high | 43 Ų | 43 | 99.3 Ų | 99.3 | 36% | 0.355 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.9 | -26.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K868 A869 N870 R876 | K868-A872 WeakPolarHBondContact O-CB 3.33Å; K868-A872 PolarHBondContact O-N 3.15Å; A869-A872 CarbonylContact O-C 3.53Å; A869-A872 PolarHBondContact O-N 2.79Å; N870-A872 VanDerWaalsContact C-N 3.34Å; N870-A872 PolarHBondContact O-N 2.87Å; A872-R876 WeakPolarHBondContact O-CB 3.37Å; A872-R876 VanDerWaalsContact O-CG 3.29Å; A872-R876 WeakPolarHBondContact O-CG 3.46Å; A872-R876 PolarHBondContact O-N 2.8Å; A872-R876 VanDerWaalsContact O-N 3.14Å; A872-R876 PolarHBondContact O-NE 3.41Å |
| 873 | Q | 91.9 | Very high | 90.8 | Very high | 112 Ų | 112 | 96.4 Ų | 96.4 | 52% | 0.523 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -74.8 | -44.4 | 170.8 | 177.9 | 170.3 | -26.8 | 0 | 0 | 111.2 | A869 N870 L871 V875 R876 L877 | A869-Q873 WeakPolarHBondContact O-CB 3.2Å; A869-Q873 PolarHBondContact O-N 3.44Å; N870-Q873 CarbonylContact O-C 3.57Å; N870-Q873 WeakPolarHBondContact O-CA 3.29Å; N870-Q873 WeakPolarHBondContact O-CB 3.38Å; N870-Q873 PolarHBondContact O-N 3.06Å; L871-Q873 VanDerWaalsContact C-N 3.27Å; L871-Q873 PolarHBondContact O-N 2.94Å; Q873-V875 PolarHBondContact O-N 2.85Å; Q873-R876 PolarHBondContact O-N 3.47Å; Q873-L877 HydrophobicContact CG-CD1 4.14Å; Q873-L877 WeakPolarHBondContact O-CB 3.37Å; Q873-L877 WeakPolarHBondContact O-CG 3.42Å; Q873-L877 PolarHBondContact O-N 2.95Å |
| 874 | Q | 91.3 | Very high | 90.3 | Very high | 118 Ų | 118 | 92.6 Ų | 92.6 | 55% | 0.551 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.3 | -39.9 | 176.3 | -169.1 | -179.4 | 13.8 | 0 | 0 | 111.9 | N870 L871 L877 S878 | N870-Q874 WeakPolarHBondContact O-CB 3.46Å; N870-Q874 PolarHBondContact O-N 2.87Å; L871-Q874 PolarHBondContact O-N 3.35Å; Q874-L877 PolarHBondContact O-N 2.86Å; Q874-S878 WeakPolarHBondContact O-CB 3.36Å; Q874-S878 PolarHBondContact O-N 2.97Å; Q874-S878 PolarHBondContact O-OG 3.36Å |
| 875 | V | 91.2 | Very high | 89.7 | Confident | 78 Ų | 78 | 92.1 Ų | 92.1 | 47% | 0.473 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.1 | -36.9 | 172.6 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | L871 Q873 S878 M879 | L871-V875 WeakPolarHBondContact O-CB 3.4Å; L871-V875 VanDerWaalsContact O-CG2 3.29Å; L871-V875 WeakPolarHBondContact O-CG2 3.48Å; L871-V875 PolarHBondContact O-N 2.89Å; Q873-V875 PolarHBondContact O-N 2.85Å; V875-S878 WeakPolarHBondContact CA-OG 3.29Å; V875-S878 PolarHBondContact O-OG 2.87Å; V875-M879 HydrophobicContact CG1-CG 4.38Å; V875-M879 HydrophobicContact CG1-SD 4.17Å; V875-M879 VanDerWaalsContact O-CB 3.24Å; V875-M879 WeakPolarHBondContact O-CB 3.22Å; V875-M879 WeakPolarHBondContact O-CG 3.47Å; V875-M879 PolarHBondContact O-N 3.31Å |
| 876 | R | 90.9 | Very high | 89.1 | Confident | 157 Ų | 157 | 95.9 Ų | 95.9 | 59% | 0.592 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.5 | -41.9 | 172.3 | -82.3 | 175 | -70.5 | 177.5 | 1.8 | 111.8 | A872 Q873 M879 T880 | A872-R876 WeakPolarHBondContact O-CB 3.37Å; A872-R876 VanDerWaalsContact O-CG 3.29Å; A872-R876 WeakPolarHBondContact O-CG 3.46Å; A872-R876 PolarHBondContact O-N 2.8Å; A872-R876 VanDerWaalsContact O-N 3.14Å; A872-R876 PolarHBondContact O-NE 3.41Å; Q873-R876 PolarHBondContact O-N 3.47Å; R876-M879 PolarHBondContact O-N 3.24Å; R876-T880 WeakPolarHBondContact O-CG2 3.5Å; R876-T880 PolarHBondContact O-N 2.9Å; R876-T880 PolarHBondContact O-OG1 2.94Å |
| 877 | L | 89.8 | Confident | 88.5 | Confident | 90 Ų | 90 | 97.4 Ų | 97.4 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -51.1 | 174.9 | -73.4 | 169.7 | 0 | 0 | 0 | 110.7 | Q873 Q874 M879 T880 E881 | Q873-L877 HydrophobicContact CG-CD1 4.14Å; Q873-L877 WeakPolarHBondContact O-CB 3.37Å; Q873-L877 WeakPolarHBondContact O-CG 3.42Å; Q873-L877 PolarHBondContact O-N 2.95Å; Q874-L877 PolarHBondContact O-N 2.86Å; L877-M879 VanDerWaalsContact C-N 3.33Å; L877-M879 PolarHBondContact O-N 2.98Å; L877-T880 WeakPolarHBondContact CA-OG1 3.23Å; L877-T880 CarbonylContact O-C 3.6Å; L877-T880 WeakPolarHBondContact O-CA 3.33Å; L877-T880 PolarHBondContact O-N 3.36Å; L877-T880 PolarHBondContact O-OG1 2.91Å; L877-E881 WeakPolarHBondContact O-CG 3.45Å; L877-E881 PolarHBondContact O-N 2.94Å |
| 878 | S | 88.4 | Confident | 87.7 | Confident | 49 Ų | 49 | 99.4 Ų | 99.4 | 34% | 0.343 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.3 | -31.6 | 178.3 | 72.1 | 0 | 0 | 0 | 0 | 112.7 | Q874 V875 E881 V882 | Q874-S878 WeakPolarHBondContact O-CB 3.36Å; Q874-S878 PolarHBondContact O-N 2.97Å; Q874-S878 PolarHBondContact O-OG 3.36Å; V875-S878 WeakPolarHBondContact CA-OG 3.29Å; V875-S878 PolarHBondContact O-OG 2.87Å; S878-E881 PolarHBondContact O-N 3.34Å; S878-V882 VanDerWaalsContact O-CB 3.29Å; S878-V882 WeakPolarHBondContact O-CB 3.37Å; S878-V882 WeakPolarHBondContact O-CG2 3.33Å; S878-V882 PolarHBondContact O-N 3.23Å |
| 879 | M | 88.7 | Confident | 86.2 | Confident | 126 Ų | 126 | 101.2 Ų | 101.2 | 62% | 0.621 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.5 | -38.3 | 168.6 | -77.1 | -177.9 | 74.2 | 0 | 0 | 112.4 | V875 R876 L877 A883 | V875-M879 HydrophobicContact CG1-CG 4.38Å; V875-M879 HydrophobicContact CG1-SD 4.17Å; V875-M879 VanDerWaalsContact O-CB 3.24Å; V875-M879 WeakPolarHBondContact O-CB 3.22Å; V875-M879 WeakPolarHBondContact O-CG 3.47Å; V875-M879 PolarHBondContact O-N 3.31Å; R876-M879 PolarHBondContact O-N 3.24Å; L877-M879 VanDerWaalsContact C-N 3.33Å; L877-M879 PolarHBondContact O-N 2.98Å; M879-A883 WeakPolarHBondContact O-CB 3.4Å; M879-A883 PolarHBondContact O-N 3.03Å |
| 880 | T | 88.3 | Confident | 84.4 | Confident | 83 Ų | 83 | 104.5 Ų | 104.5 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.7 | -34.8 | 173.3 | 51 | 0 | 0 | 0 | 0 | 112.8 | R876 L877 A883 E884 | R876-T880 WeakPolarHBondContact O-CG2 3.5Å; R876-T880 PolarHBondContact O-N 2.9Å; R876-T880 PolarHBondContact O-OG1 2.94Å; L877-T880 WeakPolarHBondContact CA-OG1 3.23Å; L877-T880 CarbonylContact O-C 3.6Å; L877-T880 WeakPolarHBondContact O-CA 3.33Å; L877-T880 PolarHBondContact O-N 3.36Å; L877-T880 PolarHBondContact O-OG1 2.91Å; T880-A883 PolarHBondContact O-N 2.82Å; T880-E884 WeakPolarHBondContact O-CB 3.3Å; T880-E884 PolarHBondContact O-N 2.96Å |
| 881 | E | 87.9 | Confident | 82.1 | Confident | 109 Ų | 109 | 108.8 Ų | 108.8 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.6 | -43 | 172.4 | -72.4 | 171.2 | -175.4 | 0 | 0 | 111.1 | L877 S878 A883 E884 F885 | L877-E881 WeakPolarHBondContact O-CG 3.45Å; L877-E881 PolarHBondContact O-N 2.94Å; S878-E881 PolarHBondContact O-N 3.34Å; E881-A883 VanDerWaalsContact C-N 3.31Å; E881-A883 PolarHBondContact O-N 3.27Å; E881-E884 CarbonylContact O-C 3.52Å; E881-E884 WeakPolarHBondContact O-CB 3.44Å; E881-E884 PolarHBondContact O-N 3.31Å; E881-F885 HydrophobicContact CB-CD2 4.49Å; E881-F885 WeakPolarHBondContact O-CB 3.41Å; E881-F885 WeakPolarHBondContact O-CD2 3.32Å; E881-F885 PolarHBondContact O-N 3.18Å |
| 882 | V | 85.6 | Confident | 79.6 | Confident | 86 Ų | 86 | 111.3 Ų | 111.3 | 52% | 0.521 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.2 | -36.5 | 173.2 | 167.7 | 0 | 0 | 0 | 0 | 110.7 | S878 F885 Q886 | S878-V882 VanDerWaalsContact O-CB 3.29Å; S878-V882 WeakPolarHBondContact O-CB 3.37Å; S878-V882 WeakPolarHBondContact O-CG2 3.33Å; S878-V882 PolarHBondContact O-N 3.23Å; V882-F885 PolarHBondContact O-N 3.31Å; V882-Q886 VanDerWaalsContact O-CB 3.23Å; V882-Q886 WeakPolarHBondContact O-CB 3.44Å; V882-Q886 PolarHBondContact O-N 2.99Å |
| 883 | A | 83.3 | Confident | 77.4 | Confident | 46 Ų | 46 | 115.5 Ų | 115.5 | 38% | 0.38 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.5 | -36.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | M879 T880 E881 K887 | M879-A883 WeakPolarHBondContact O-CB 3.4Å; M879-A883 PolarHBondContact O-N 3.03Å; T880-A883 PolarHBondContact O-N 2.82Å; E881-A883 VanDerWaalsContact C-N 3.31Å; E881-A883 PolarHBondContact O-N 3.27Å; A883-K887 WeakPolarHBondContact O-CB 3.25Å; A883-K887 VanDerWaalsContact O-CG 3.26Å; A883-K887 WeakPolarHBondContact O-CG 3.43Å; A883-K887 PolarHBondContact O-N 3.07Å |
| 884 | E | 83.3 | Confident | 74.9 | Confident | 83 Ų | 83 | 114.1 Ų | 114.1 | 39% | 0.388 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.1 | -50.1 | 168.7 | -88.7 | -77.5 | 126.4 | 0 | 0 | 111.3 | T880 E881 Q886 K887 R888 | T880-E884 WeakPolarHBondContact O-CB 3.3Å; T880-E884 PolarHBondContact O-N 2.96Å; E881-E884 CarbonylContact O-C 3.52Å; E881-E884 WeakPolarHBondContact O-CB 3.44Å; E881-E884 PolarHBondContact O-N 3.31Å; E884-Q886 VanDerWaalsContact C-N 3.32Å; E884-Q886 PolarHBondContact O-N 3.44Å; E884-K887 WeakPolarHBondContact O-CB 3.5Å; E884-K887 PolarHBondContact O-N 3.04Å; E884-R888 VanDerWaalsContact O-CG 3.24Å; E884-R888 WeakPolarHBondContact O-CG 3.37Å; E884-R888 PolarHBondContact O-N 3.46Å; E884-R888 IonicContact OE2-CZ 2.62Å; E884-R888 IonicContact OE2-NE 3.81Å; E884-R888 PolarHBondContact OE2-NE 2.9Å; E884-R888 IonicContact OE2-NH2 2.59Å; E884-R888 PolarHBondContact OE2-NH2 2.74Å |
| 885 | F | 79.4 | Confident | 72.2 | Confident | 114 Ų | 114 | 115.6 Ų | 115.6 | 50% | 0.5 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.2 | -40.3 | 176.7 | -83 | -64.4 | 0 | 0 | 0 | 111.2 | E881 V882 R888 F889 | E881-F885 HydrophobicContact CB-CD2 4.49Å; E881-F885 WeakPolarHBondContact O-CB 3.41Å; E881-F885 WeakPolarHBondContact O-CD2 3.32Å; E881-F885 PolarHBondContact O-N 3.18Å; V882-F885 PolarHBondContact O-N 3.31Å; F885-R888 CarbonylContact O-C 3.57Å; F885-R888 WeakPolarHBondContact O-CB 3.41Å; F885-R888 PolarHBondContact O-N 3.12Å; F885-R888 VanDerWaalsContact O-N 3.12Å; F885-F889 WeakPolarHBondContact O-CB 3.24Å; F885-F889 WeakPolarHBondContact O-CD2 3.34Å; F885-F889 PolarHBondContact O-N 3.1Å |
| 886 | Q | 81.4 | Confident | 69.8 | Low | 115 Ų | 115 | 121 Ų | 121 | 54% | 0.537 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -72.4 | -32.2 | 177.9 | -164.7 | 151.1 | 17.6 | 0 | 0 | 112.2 | V882 E884 R888 N890 | V882-Q886 VanDerWaalsContact O-CB 3.23Å; V882-Q886 WeakPolarHBondContact O-CB 3.44Å; V882-Q886 PolarHBondContact O-N 2.99Å; E884-Q886 VanDerWaalsContact C-N 3.32Å; E884-Q886 PolarHBondContact O-N 3.44Å; Q886-R888 VanDerWaalsContact C-N 3.32Å; Q886-N890 WeakPolarHBondContact O-CB 3.4Å; Q886-N890 PolarHBondContact O-N 3.38Å; Q886-N890 PolarHBondContact O-ND2 3.16Å |
| 887 | K | 80 | Confident | 67.4 | Low | 150 Ų | 150 | 123 Ų | 123 | 65% | 0.652 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.2 | -35.2 | 165.4 | -74.4 | 168.4 | -177.1 | 174 | 0 | 112.5 | A883 E884 | A883-K887 WeakPolarHBondContact O-CB 3.25Å; A883-K887 VanDerWaalsContact O-CG 3.26Å; A883-K887 WeakPolarHBondContact O-CG 3.43Å; A883-K887 PolarHBondContact O-N 3.07Å; E884-K887 WeakPolarHBondContact O-CB 3.5Å; E884-K887 PolarHBondContact O-N 3.04Å |
| 888 | R | 77 | Confident | 65.2 | Low | 158 Ų | 158 | 127.1 Ų | 127.1 | 60% | 0.596 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -75.7 | -42.3 | 178 | -67.8 | 167.5 | -167 | -149 | 6.7 | 112.2 | E884 F885 Q886 R891 | E884-R888 VanDerWaalsContact O-CG 3.24Å; E884-R888 WeakPolarHBondContact O-CG 3.37Å; E884-R888 PolarHBondContact O-N 3.46Å; E884-R888 IonicContact OE2-CZ 2.62Å; E884-R888 IonicContact OE2-NE 3.81Å; E884-R888 PolarHBondContact OE2-NE 2.9Å; E884-R888 IonicContact OE2-NH2 2.59Å; E884-R888 PolarHBondContact OE2-NH2 2.74Å; F885-R888 CarbonylContact O-C 3.57Å; F885-R888 WeakPolarHBondContact O-CB 3.41Å; F885-R888 PolarHBondContact O-N 3.12Å; F885-R888 VanDerWaalsContact O-N 3.12Å; Q886-R888 VanDerWaalsContact C-N 3.32Å; R888-R891 WeakPolarHBondContact O-CB 3.42Å; R888-R891 PolarHBondContact O-N 2.9Å |
| 889 | F | 61.3 | Low | 62.6 | Low | 174 Ų | 174 | 133 Ų | 133 | 76% | 0.763 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -70.9 | -32.7 | 176.2 | -96.1 | -84.5 | 0 | 0 | 0 | 112.8 | F885 R891 | F885-F889 WeakPolarHBondContact O-CB 3.24Å; F885-F889 WeakPolarHBondContact O-CD2 3.34Å; F885-F889 PolarHBondContact O-N 3.1Å; F889-R891 PolarHBondContact O-N 3.05Å; F889-R891 VanDerWaalsContact O-N 3.15Å |
| 890 | N | 55.1 | Low | 60.3 | Low | 119 Ų | 119 | 133.5 Ų | 133.5 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 14 | 172.8 | -67.7 | -11.1 | 0 | 0 | 0 | 113.3 | Q886 P892 | Q886-N890 WeakPolarHBondContact O-CB 3.4Å; Q886-N890 PolarHBondContact O-N 3.38Å; Q886-N890 PolarHBondContact O-ND2 3.16Å; N890-P892 WeakPolarHBondContact O-CD 3.34Å |
| 891 | R | 46.6 | Very low | 58 | Low | 190 Ų | 190 | 138.1 Ų | 138.1 | 72% | 0.717 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -75.1 | 113.1 | 158 | -80 | -173.9 | 162.5 | -177.5 | -4.3 | 108.7 | R888 F889 T893 | R888-R891 WeakPolarHBondContact O-CB 3.42Å; R888-R891 PolarHBondContact O-N 2.9Å; F889-R891 PolarHBondContact O-N 3.05Å; F889-R891 VanDerWaalsContact O-N 3.15Å; R891-T893 PolarHBondContact O-N 3.16Å; R891-T893 PolarHBondContact O-OG1 3.03Å; R891-T893 VanDerWaalsContact O-OG1 3.1Å |
| 892 | P | 39.7 | Very low | 55.8 | Low | 137 Ų | 137 | 138.8 Ų | 138.8 | 89% | 0.89 | 71% | 0.707 | S | S | * | * | trans | -68 | 99.6 | -175.9 | 28.2 | -34.6 | 0 | 0 | 0 | 110.7 | N890 | N890-P892 WeakPolarHBondContact O-CD 3.34Š| ||
| 893 | T | 45.3 | Very low | 53.8 | Low | 131 Ų | 131 | 140.2 Ų | 140.2 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | trans | -136.1 | 127.5 | 178 | -24.1 | 0 | 0 | 0 | 0 | 107.8 | R891 | R891-T893 PolarHBondContact O-N 3.16Å; R891-T893 PolarHBondContact O-OG1 3.03Å; R891-T893 VanDerWaalsContact O-OG1 3.1Å | ||
| 894 | A | 38.6 | Very low | 51.5 | Low | 84 Ų | 84 | 146.6 Ų | 146.6 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | trans | -98.7 | 153.3 | -154.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 895 | N | 35.1 | Very low | 49.3 | Very low | 148 Ų | 148 | 152.4 Ų | 152.4 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | 60.8 | 94.8 | 149.2 | -59.8 | -24.8 | 0 | 0 | 0 | 120.1 | ||||
| 896 | Q | 40.8 | Very low | 47.4 | Very low | 192 Ų | 192 | 153.5 Ų | 153.5 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | -178.9 | 106.9 | 129.3 | -97.3 | 156.3 | 30.1 | 0 | 0 | 108.6 | |||||
| 897 | K | 40.1 | Very low | 45.2 | Very low | 199 Ų | 199 | 155.9 Ų | 155.9 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | 55 | 105.8 | 80.6 | -81.8 | -165.7 | 174.2 | -174.8 | 0 | 115.4 | |||||
| 898 | I | 42.8 | Very low | 43.3 | Very low | 177 Ų | 177 | 155.8 Ų | 155.8 | 91% | 0.908 | 79% | 0.785 | S | S | * | * | trans | -162.9 | 153.1 | 133.6 | -96.6 | 148.6 | 0 | 0 | 0 | 107.8 | ||||
| 899 | M | 34.6 | Very low | 41.4 | Very low | 173 Ų | 173 | 153.7 Ų | 153.7 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | trans | -125.3 | 164.9 | -177.7 | -70.5 | 167.1 | 51.9 | 0 | 0 | 110.7 | ||||
| 900 | V | 39.4 | Very low | 40 | Very low | 135 Ų | 135 | 152 Ų | 152 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | 169.2 | 147.5 | 124.8 | 152.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 901 | Q | 41.2 | Very low | 38.9 | Very low | 180 Ų | 180 | 151.2 Ų | 151.2 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | -111.8 | 161.7 | 170.3 | -77.8 | -176.8 | -30 | 0 | 0 | 111 | ||||
| 902 | P | 41.4 | Very low | 38.1 | Very low | 124 Ų | 124 | 151 Ų | 151 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | trans | -141.3 | 168.7 | 130.7 | 34.9 | -19.7 | 0 | 0 | 0 | 115.3 | ||||
| 903 | P | 43.3 | Very low | 37.7 | Very low | 116 Ų | 116 | 150.4 Ų | 150.4 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -129.7 | 177.9 | -169.5 | 44.2 | -29.9 | 0 | 0 | 0 | 117.1 | ||||
| 904 | M | 36.2 | Very low | 37.1 | Very low | 179 Ų | 179 | 151.6 Ų | 151.6 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | 82.6 | 174.4 | 156.1 | -72.9 | -76.2 | -85.5 | 0 | 0 | 120.6 | ||||
| 905 | R | 37.1 | Very low | 36.8 | Very low | 206 Ų | 206 | 158 Ų | 158 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | -106.3 | 157.1 | -139 | -101.8 | 178.4 | 166 | 179 | -1.1 | 117.4 | ||||
| 906 | D | 39.6 | Very low | 36.8 | Very low | 136 Ų | 136 | 156 Ų | 156 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 58.8 | 147.9 | 138 | -51.6 | -19.6 | 0 | 0 | 0 | 124.4 | ||||
| 907 | Q | 34.8 | Very low | 36.6 | Very low | 165 Ų | 165 | 153.7 Ų | 153.7 | 77% | 0.771 | 78% | 0.781 | S | S | * | * | trans | 111.9 | 106.4 | 148.6 | -150.7 | 168.6 | 15 | 0 | 0 | 120.9 | ||||
| 908 | E | 39.5 | Very low | 36.7 | Very low | 148 Ų | 148 | 150.6 Ų | 150.6 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | 56.3 | 142 | 143.1 | -65.2 | 172.5 | -129 | 0 | 0 | 126.6 | ||||
| 909 | T | 37.8 | Very low | 36.3 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | 82.1 | 142.3 | 155.9 | 74.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 910 | N | 32.2 | Very low | 36.7 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | 67.3 | 115.2 | 146.9 | -68.4 | -29.9 | 0 | 0 | 0 | 122.8 | ||||
| 911 | C | 31.9 | Very low | 36.6 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | 73.2 | 117.3 | 126.5 | -65.3 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 912 | F | 28.3 | Very low | 36.5 | Very low | 186 Ų | 186 | 142 Ų | 142 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | trans | 73.7 | 172.3 | 136.2 | -90.3 | -96.3 | 0 | 0 | 0 | 120.5 | ||||
| 913 | V | 31.4 | Very low | 36.5 | Very low | 124 Ų | 124 | 143 Ų | 143 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | trans | 72.2 | 89.6 | 172 | -164.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 914 | K | 32.1 | Very low | 36.3 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | 77.6 | 112.5 | 71.2 | -73.6 | 178.5 | 176.7 | 171 | 0 | 116.2 | |||||
| 915 | R | 33.1 | Very low | 36.5 | Very low | 219 Ų | 219 | 143 Ų | 143 | 83% | 0.826 | 73% | 0.73 | S | S | * | * | trans | 79.8 | 158.1 | 130.6 | -68.8 | 178.5 | 173.3 | -179.7 | -4.5 | 120.6 | ||||
| 916 | S | 36.3 | Very low | 36.8 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | 79.9 | 134.9 | 166.8 | 77.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 917 | N | 36.3 | Very low | 36.8 | Very low | 145 Ų | 145 | 143 Ų | 143 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | cis | -164.5 | 164.5 | -7.4 | -119 | 1.5 | 0 | 0 | 0 | 112.1 | ||||
| 918 | V | 40.8 | Very low | 37.1 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | trans | 69 | 134.4 | 149.3 | 161.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 919 | A | 34.9 | Very low | 37.2 | Very low | 73 Ų | 73 | 136.8 Ų | 136.8 | 60% | 0.603 | 73% | 0.726 | S | S | * | * | cis | -166.8 | -175 | -12.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 920 | T | 43 | Very low | 37.3 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | trans | 76.6 | 144.5 | 169.7 | 68.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 921 | E | 37.1 | Very low | 37.6 | Very low | 173 Ų | 173 | 136.7 Ų | 136.7 | 81% | 0.808 | 73% | 0.734 | S | S | * | * | cis | -164.2 | 173.1 | -32.9 | -158.9 | 160.4 | 137.6 | 0 | 0 | 110 | ||||
| 922 | V | 40.4 | Very low | 38.1 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 65% | 0.648 | 74% | 0.736 | S | S | * | * | trans | 88.7 | 97.4 | 161.9 | -172.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 923 | Q | 40.3 | Very low | 38.6 | Very low | 146 Ų | 146 | 134.8 Ų | 134.8 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | trans | 59.4 | 146 | 133.3 | -57.7 | -173.9 | 50.4 | 0 | 0 | 121 | ||||
| 924 | R | 39.4 | Very low | 39.3 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 68% | 0.683 | 73% | 0.728 | S | S | * | * | cis | -166.9 | 154.4 | -4.7 | -115.3 | -175.9 | 155.7 | 118.4 | -3.2 | 111.7 | ||||
| 925 | D | 40.7 | Very low | 39.8 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 60% | 0.604 | 73% | 0.734 | S | S | * | * | trans | 46.5 | 143.7 | 138.3 | -48.2 | -14.5 | 0 | 0 | 0 | 120.6 | ||||
| 926 | E | 42.8 | Very low | 40.5 | Very low | 157 Ų | 157 | 127.7 Ų | 127.7 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | cis | -162.5 | 142.1 | 3.3 | -126 | 169.2 | -172.8 | 0 | 0 | 112.6 | ||||
| 927 | F | 39.5 | Very low | 41.2 | Very low | 187 Ų | 187 | 130.2 Ų | 130.2 | 82% | 0.82 | 72% | 0.719 | S | S | * | * | trans | 45.9 | 147.9 | 134.7 | -82.4 | -114.8 | 0 | 0 | 0 | 122.9 | ||||
| 928 | C | 41.1 | Very low | 42.1 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 73% | 0.73 | 71% | 0.713 | S | S | * | * | cis | -158.8 | 172 | -4.1 | -156.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 929 | A | 42.6 | Very low | 43 | Very low | 73 Ų | 73 | 132.1 Ų | 132.1 | 60% | 0.603 | 71% | 0.708 | S | S | * | * | trans | -110.1 | 163.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 930 | D | 39.9 | Very low | 44.5 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 85% | 0.85 | 71% | 0.706 | S | S | * | * | 166.8 | 166.3 | 124.9 | -87.8 | -15.9 | 0 | 0 | 0 | 113.9 | |||||
| 931 | A | 37.7 | Very low | 45.8 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 76% | 0.76 | 69% | 0.691 | S | S | * | * | trans | 62.1 | 118.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 932 | S | 41.4 | Very low | 47.5 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 74% | 0.741 | 68% | 0.677 | S | S | * | * | cis | 78.4 | 79.6 | 24.3 | 94.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 933 | T | 40.1 | Very low | 49.2 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 87% | 0.871 | 68% | 0.676 | S | S | * | * | trans | 176.2 | 82.2 | 138.2 | 44.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 934 | E | 45.7 | Very low | 51 | Low | 113 Ų | 113 | 127.7 Ų | 127.7 | 53% | 0.528 | 67% | 0.667 | S | S | . | * | trans | -160.3 | 47.4 | 154 | -143.1 | 178.3 | 157 | 0 | 0 | 112.7 | V936 R937 | E934-V936 VanDerWaalsContact C-N 3.29Å; E934-V936 PolarHBondContact O-N 2.91Å; E934-R937 IonicContact OE1-NH1 3.65Å; E934-R937 PolarHBondContact OE1-NH1 2.96Å | ||
| 935 | T | 43.3 | Very low | 53.1 | Low | 132 Ų | 132 | 126.2 Ų | 126.2 | 81% | 0.81 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 52.3 | -166 | 56.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 936 | V | 46.6 | Very low | 55.1 | Low | 105 Ų | 105 | 125.4 Ų | 125.4 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137 | -50.5 | 170.7 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | E934 Y938 E939 | E934-V936 VanDerWaalsContact C-N 3.29Å; E934-V936 PolarHBondContact O-N 2.91Å; V936-Y938 VanDerWaalsContact C-N 3.3Å; V936-Y938 PolarHBondContact O-N 3.36Å; V936-E939 PolarHBondContact O-N 2.67Å |
| 937 | R | 51 | Low | 57.2 | Low | 158 Ų | 158 | 123 Ų | 123 | 60% | 0.596 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.3 | -29.2 | -176.6 | -77.3 | 176.9 | 167.2 | 155.1 | -8.9 | 114.5 | E934 E939 E940 D941 | E934-R937 IonicContact OE1-NH1 3.65Å; E934-R937 PolarHBondContact OE1-NH1 2.96Å; R937-E939 VanDerWaalsContact C-N 3.32Å; R937-E939 PolarHBondContact O-N 2.9Å; R937-E940 PolarHBondContact O-N 3.34Å; R937-D941 WeakPolarHBondContact O-CB 3.46Å; R937-D941 PolarHBondContact O-N 3.13Å |
| 938 | Y | 55.1 | Low | 59.4 | Low | 167 Ų | 167 | 121 Ų | 121 | 66% | 0.655 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.1 | -23.9 | -177 | -81.2 | -83.3 | 0 | 0 | 0 | 114.1 | V936 H942 | V936-Y938 VanDerWaalsContact C-N 3.3Å; V936-Y938 PolarHBondContact O-N 3.36Å; Y938-H942 WeakPolarHBondContact O-CB 3.49Å; Y938-H942 PolarHBondContact O-N 2.82Å |
| 939 | E | 60.8 | Low | 61.7 | Low | 152 Ų | 152 | 117.3 Ų | 117.3 | 71% | 0.71 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -77.5 | -40.1 | 172.3 | -67.9 | -167.4 | 136.7 | 0 | 0 | 111.3 | V936 R937 H942 Q943 | V936-E939 PolarHBondContact O-N 2.67Å; R937-E939 VanDerWaalsContact C-N 3.32Å; R937-E939 PolarHBondContact O-N 2.9Å; E939-H942 PolarHBondContact O-N 3.49Å; E939-Q943 PolarHBondContact O-N 2.76Å |
| 940 | E | 66.7 | Low | 63.8 | Low | 120 Ų | 120 | 118.9 Ų | 118.9 | 56% | 0.561 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -59.4 | -48.9 | 171.3 | -63.7 | -175.5 | 136.9 | 0 | 0 | 110.9 | R937 H942 Q943 V944 | R937-E940 PolarHBondContact O-N 3.34Å; E940-H942 PolarHBondContact O-N 3.23Å; E940-Q943 PolarHBondContact O-N 2.8Å; E940-V944 WeakPolarHBondContact O-CB 3.43Å; E940-V944 VanDerWaalsContact O-CG2 3.27Å; E940-V944 WeakPolarHBondContact O-CG2 3.29Å; E940-V944 PolarHBondContact O-N 3.16Å |
| 941 | D | 69.7 | Low | 66.2 | Low | 90 Ų | 90 | 115.8 Ų | 115.8 | 48% | 0.481 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.4 | -14 | 177.9 | -102.5 | -17.5 | 0 | 0 | 0 | 114.4 | R937 R945 | R937-D941 WeakPolarHBondContact O-CB 3.46Å; R937-D941 PolarHBondContact O-N 3.13Å; D941-R945 WeakPolarHBondContact O-CB 3.36Å; D941-R945 PolarHBondContact O-NE 2.99Å; D941-R945 PolarHBondContact O-NH2 3.37Å |
| 942 | H | 73.1 | Confident | 68.5 | Low | 112 Ų | 112 | 115.4 Ų | 115.4 | 52% | 0.519 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -94.4 | -37.5 | 173.5 | -154 | -62.3 | 0 | 0 | 0 | 111.9 | Y938 E939 E940 R945 L946 | Y938-H942 WeakPolarHBondContact O-CB 3.49Å; Y938-H942 PolarHBondContact O-N 2.82Å; E939-H942 PolarHBondContact O-N 3.49Å; E940-H942 PolarHBondContact O-N 3.23Å; H942-R945 WeakPolarHBondContact O-CB 3.48Å; H942-R945 PolarHBondContact O-N 3.32Å; H942-L946 PolarHBondContact O-N 2.94Å |
| 943 | Q | 76.5 | Confident | 70.7 | Confident | 131 Ų | 131 | 114 Ų | 114 | 61% | 0.612 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.1 | -44.7 | 169.4 | -75.9 | -169.4 | -6.9 | 0 | 0 | 111.5 | E939 E940 R945 L946 L947 | E939-Q943 PolarHBondContact O-N 2.76Å; E940-Q943 PolarHBondContact O-N 2.8Å; Q943-R945 PolarHBondContact O-N 3.13Å; Q943-L946 PolarHBondContact O-N 3.35Å; Q943-L947 WeakPolarHBondContact O-CB 3.36Å; Q943-L947 WeakPolarHBondContact O-CG 3.47Å; Q943-L947 PolarHBondContact O-N 2.94Å |
| 944 | V | 77.5 | Confident | 73 | Confident | 83 Ų | 83 | 110 Ų | 110 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.7 | -33.4 | 174 | 170.1 | 0 | 0 | 0 | 0 | 111 | E940 K948 | E940-V944 WeakPolarHBondContact O-CB 3.43Å; E940-V944 VanDerWaalsContact O-CG2 3.27Å; E940-V944 WeakPolarHBondContact O-CG2 3.29Å; E940-V944 PolarHBondContact O-N 3.16Å; V944-K948 WeakPolarHBondContact O-CB 3.49Å; V944-K948 PolarHBondContact O-N 3.14Å |
| 945 | R | 82.7 | Confident | 75 | Confident | 150 Ų | 150 | 112.7 Ų | 112.7 | 57% | 0.566 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.7 | -44.9 | 173.8 | -128.4 | 170.1 | -64.1 | -174.1 | -2.1 | 112.7 | D941 H942 Q943 K948 G949 | D941-R945 WeakPolarHBondContact O-CB 3.36Å; D941-R945 PolarHBondContact O-NE 2.99Å; D941-R945 PolarHBondContact O-NH2 3.37Å; H942-R945 WeakPolarHBondContact O-CB 3.48Å; H942-R945 PolarHBondContact O-N 3.32Å; Q943-R945 PolarHBondContact O-N 3.13Å; R945-K948 PolarHBondContact O-N 2.86Å; R945-G949 PolarHBondContact O-N 3.39Å |
| 946 | L | 83.6 | Confident | 77.1 | Confident | 97 Ų | 97 | 108.7 Ų | 108.7 | 51% | 0.508 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.5 | -55.2 | 175.6 | -95 | 155.1 | 0 | 0 | 0 | 111.3 | H942 Q943 K948 G949 E950 | H942-L946 PolarHBondContact O-N 2.94Å; Q943-L946 PolarHBondContact O-N 3.35Å; L946-K948 VanDerWaalsContact C-N 3.27Å; L946-K948 PolarHBondContact O-N 2.94Å; L946-G949 CarbonylContact O-C 3.57Å; L946-G949 WeakPolarHBondContact O-CA 3.21Å; L946-G949 PolarHBondContact O-N 3.48Å; L946-E950 WeakPolarHBondContact O-CG 3.49Å; L946-E950 PolarHBondContact O-N 3.19Å |
| 947 | L | 86.9 | Confident | 79.1 | Confident | 105 Ų | 105 | 109.4 Ų | 109.4 | 55% | 0.55 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.9 | -35.3 | 178.3 | -69.2 | 170.5 | 0 | 0 | 0 | 112.4 | Q943 L951 | Q943-L947 WeakPolarHBondContact O-CB 3.36Å; Q943-L947 WeakPolarHBondContact O-CG 3.47Å; Q943-L947 PolarHBondContact O-N 2.94Å; L947-L951 WeakPolarHBondContact O-CB 3.47Å; L947-L951 PolarHBondContact O-N 2.8Å |
| 948 | K | 86 | Confident | 81.1 | Confident | 146 Ų | 146 | 106.4 Ų | 106.4 | 64% | 0.635 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -70.4 | -36.2 | 174.1 | -171 | 172.4 | -175.3 | 177.1 | 0 | 111.9 | V944 R945 L946 T952 | V944-K948 WeakPolarHBondContact O-CB 3.49Å; V944-K948 PolarHBondContact O-N 3.14Å; R945-K948 PolarHBondContact O-N 2.86Å; L946-K948 VanDerWaalsContact C-N 3.27Å; L946-K948 PolarHBondContact O-N 2.94Å; K948-T952 WeakPolarHBondContact O-CG2 3.37Å; K948-T952 PolarHBondContact O-N 2.75Å; K948-T952 PolarHBondContact O-OG1 3.33Å |
| 949 | G | 87.8 | Confident | 82.7 | Confident | 31 Ų | 31 | 103 Ų | 103 | 32% | 0.32 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.2 | -53.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.8 | R945 L946 L951 T952 T953 | R945-G949 PolarHBondContact O-N 3.39Å; L946-G949 CarbonylContact O-C 3.57Å; L946-G949 WeakPolarHBondContact O-CA 3.21Å; L946-G949 PolarHBondContact O-N 3.48Å; G949-L951 VanDerWaalsContact C-N 3.32Å; G949-L951 PolarHBondContact O-N 2.9Å; G949-T952 PolarHBondContact O-N 3.42Å; G949-T952 PolarHBondContact O-OG1 3.21Å; G949-T953 PolarHBondContact O-N 2.81Å; G949-T953 PolarHBondContact O-OG1 3.38Å |
| 950 | E | 87.9 | Confident | 84.1 | Confident | 106 Ų | 106 | 100.2 Ų | 100.2 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60 | -38.3 | 176.9 | -68.3 | 172.5 | 173.2 | 0 | 0 | 112.5 | L946 T952 T953 T954 | L946-E950 WeakPolarHBondContact O-CG 3.49Å; L946-E950 PolarHBondContact O-N 3.19Å; E950-T952 VanDerWaalsContact C-N 3.34Å; E950-T952 PolarHBondContact O-N 3.1Å; E950-T953 WeakPolarHBondContact CA-OG1 3.47Å; E950-T953 PolarHBondContact O-N 2.86Å; E950-T953 PolarHBondContact O-OG1 2.99Å; E950-T953 VanDerWaalsContact O-OG1 3.06Å; E950-T954 WeakPolarHBondContact O-CB 3.44Å; E950-T954 WeakPolarHBondContact O-CG2 3.27Å; E950-T954 PolarHBondContact O-N 3.01Å; E950-T954 PolarHBondContact O-OG1 3.34Å |
| 951 | L | 89.1 | Confident | 85.3 | Confident | 93 Ų | 93 | 99.9 Ų | 99.9 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.1 | -33.2 | 173.6 | -171.6 | 65.1 | 0 | 0 | 0 | 112.3 | L947 G949 T954 R955 | L947-L951 WeakPolarHBondContact O-CB 3.47Å; L947-L951 PolarHBondContact O-N 2.8Å; G949-L951 VanDerWaalsContact C-N 3.32Å; G949-L951 PolarHBondContact O-N 2.9Å; L951-T954 WeakPolarHBondContact CA-OG1 3.35Å; L951-T954 PolarHBondContact O-OG1 2.94Å; L951-R955 VanDerWaalsContact O-CB 3.3Å; L951-R955 WeakPolarHBondContact O-CB 3.25Å; L951-R955 VanDerWaalsContact O-CG 3.28Å; L951-R955 WeakPolarHBondContact O-CG 3.43Å; L951-R955 PolarHBondContact O-N 3.23Å |
| 952 | T | 87.4 | Confident | 86.2 | Confident | 84 Ų | 84 | 100.7 Ų | 100.7 | 52% | 0.515 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -74 | -38 | 173.6 | 53.2 | 0 | 0 | 0 | 0 | 113 | K948 G949 E950 A956 | K948-T952 WeakPolarHBondContact O-CG2 3.37Å; K948-T952 PolarHBondContact O-N 2.75Å; K948-T952 PolarHBondContact O-OG1 3.33Å; G949-T952 PolarHBondContact O-N 3.42Å; G949-T952 PolarHBondContact O-OG1 3.21Å; E950-T952 VanDerWaalsContact C-N 3.34Å; E950-T952 PolarHBondContact O-N 3.1Å; T952-A956 WeakPolarHBondContact O-CB 3.42Å; T952-A956 PolarHBondContact O-N 2.69Å |
| 953 | T | 87.9 | Confident | 86.9 | Confident | 76 Ų | 76 | 99.8 Ų | 99.8 | 47% | 0.466 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71 | -40.4 | 177 | 55.9 | 0 | 0 | 0 | 0 | 111.8 | G949 E950 A956 Q957 | G949-T953 PolarHBondContact O-N 2.81Å; G949-T953 PolarHBondContact O-OG1 3.38Å; E950-T953 WeakPolarHBondContact CA-OG1 3.47Å; E950-T953 PolarHBondContact O-N 2.86Å; E950-T953 PolarHBondContact O-OG1 2.99Å; E950-T953 VanDerWaalsContact O-OG1 3.06Å; T953-A956 PolarHBondContact O-N 2.92Å; T953-Q957 WeakPolarHBondContact O-CG 3.23Å; T953-Q957 PolarHBondContact O-N 3.44Å |
| 954 | T | 87.7 | Confident | 87.6 | Confident | 60 Ų | 60 | 99.7 Ų | 99.7 | 37% | 0.368 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 173.7 | 50.6 | 0 | 0 | 0 | 0 | 112.3 | E950 L951 A956 Q957 I958 | E950-T954 WeakPolarHBondContact O-CB 3.44Å; E950-T954 WeakPolarHBondContact O-CG2 3.27Å; E950-T954 PolarHBondContact O-N 3.01Å; E950-T954 PolarHBondContact O-OG1 3.34Å; L951-T954 WeakPolarHBondContact CA-OG1 3.35Å; L951-T954 PolarHBondContact O-OG1 2.94Å; T954-A956 VanDerWaalsContact C-N 3.35Å; T954-A956 PolarHBondContact O-N 3.36Å; T954-Q957 PolarHBondContact O-N 3.07Å; T954-I958 VanDerWaalsContact O-CG1 3.32Å; T954-I958 WeakPolarHBondContact O-CG1 3.5Å; T954-I958 PolarHBondContact O-N 3.34Å |
| 955 | R | 87.8 | Confident | 88.1 | Confident | 169 Ų | 169 | 100.9 Ų | 100.9 | 64% | 0.638 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.2 | -40.2 | 170.4 | -81.2 | -179.2 | 173.6 | -171.7 | -1.5 | 112.8 | L951 I958 N959 | L951-R955 VanDerWaalsContact O-CB 3.3Å; L951-R955 WeakPolarHBondContact O-CB 3.25Å; L951-R955 VanDerWaalsContact O-CG 3.28Å; L951-R955 WeakPolarHBondContact O-CG 3.43Å; L951-R955 PolarHBondContact O-N 3.23Å; R955-I958 PolarHBondContact O-N 3.04Å; R955-N959 PolarHBondContact O-N 2.86Å |
| 956 | A | 88.3 | Confident | 88.5 | Confident | 48 Ų | 48 | 98 Ų | 98 | 40% | 0.397 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | T952 T953 T954 N959 I960 | T952-A956 WeakPolarHBondContact O-CB 3.42Å; T952-A956 PolarHBondContact O-N 2.69Å; T953-A956 PolarHBondContact O-N 2.92Å; T954-A956 VanDerWaalsContact C-N 3.35Å; T954-A956 PolarHBondContact O-N 3.36Å; A956-N959 PolarHBondContact O-N 3.42Å; A956-I960 WeakPolarHBondContact O-CD1 3.43Å; A956-I960 VanDerWaalsContact O-CG1 3.25Å; A956-I960 WeakPolarHBondContact O-CG1 3.45Å; A956-I960 PolarHBondContact O-N 3.23Å |
| 957 | Q | 88.7 | Confident | 88.8 | Confident | 120 Ų | 120 | 97.6 Ų | 97.6 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.1 | -42 | 175.2 | -72.5 | 171.4 | -2.3 | 0 | 0 | 112.4 | T953 T954 I960 L961 | T953-Q957 WeakPolarHBondContact O-CG 3.23Å; T953-Q957 PolarHBondContact O-N 3.44Å; T954-Q957 PolarHBondContact O-N 3.07Å; Q957-I960 PolarHBondContact O-N 3.46Å; Q957-L961 WeakPolarHBondContact O-CG 3.41Å; Q957-L961 PolarHBondContact O-N 2.83Å |
| 958 | I | 91.7 | Very high | 88.9 | Confident | 94 Ų | 94 | 97.9 Ų | 97.9 | 48% | 0.482 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 175.6 | -69.7 | 166.3 | 0 | 0 | 0 | 110.8 | T954 R955 I960 L961 Q962 | T954-I958 VanDerWaalsContact O-CG1 3.32Å; T954-I958 WeakPolarHBondContact O-CG1 3.5Å; T954-I958 PolarHBondContact O-N 3.34Å; R955-I958 PolarHBondContact O-N 3.04Å; I958-I960 VanDerWaalsContact C-N 3.32Å; I958-I960 PolarHBondContact O-N 3.44Å; I958-L961 PolarHBondContact O-N 3Å; I958-L961 VanDerWaalsContact O-N 3.14Å; I958-Q962 HydrophobicContact CG2-CG 4.34Å; I958-Q962 WeakPolarHBondContact O-CG 3.25Å; I958-Q962 PolarHBondContact O-N 2.91Å |
| 959 | N | 90 | Very high | 88.9 | Confident | 96 Ų | 96 | 95.1 Ų | 95.1 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.1 | -39.7 | 173.9 | -98.4 | -10.6 | 0 | 0 | 0 | 112.3 | R955 A956 L961 N963 | R955-N959 PolarHBondContact O-N 2.86Å; A956-N959 PolarHBondContact O-N 3.42Å; N959-L961 VanDerWaalsContact C-N 3.34Å; N959-N963 VanDerWaalsContact O-CB 3.29Å; N959-N963 WeakPolarHBondContact O-CB 3.37Å; N959-N963 VanDerWaalsContact O-CG 3.31Å; N959-N963 PolarHBondContact O-N 2.83Å; N959-N963 PolarHBondContact O-ND2 3.4Å |
| 960 | I | 90.2 | Very high | 88.8 | Confident | 94 Ų | 94 | 99 Ų | 99 | 48% | 0.482 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -39.2 | 175.5 | -70.4 | 163.1 | 0 | 0 | 0 | 110.9 | A956 Q957 I958 K964 | A956-I960 WeakPolarHBondContact O-CD1 3.43Å; A956-I960 VanDerWaalsContact O-CG1 3.25Å; A956-I960 WeakPolarHBondContact O-CG1 3.45Å; A956-I960 PolarHBondContact O-N 3.23Å; Q957-I960 PolarHBondContact O-N 3.46Å; I958-I960 VanDerWaalsContact C-N 3.32Å; I958-I960 PolarHBondContact O-N 3.44Å; I960-K964 HydrophobicContact CG2-CD 4.46Å; I960-K964 WeakPolarHBondContact O-CB 3.32Å; I960-K964 VanDerWaalsContact O-CG 3.29Å; I960-K964 WeakPolarHBondContact O-CG 3.39Å; I960-K964 PolarHBondContact O-N 2.94Å |
| 961 | L | 90 | Very high | 88.8 | Confident | 112 Ų | 112 | 100.7 Ų | 100.7 | 59% | 0.586 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.6 | -40.9 | 177.1 | -71.7 | 170.8 | 0 | 0 | 0 | 112.5 | Q957 I958 N959 K964 L965 | Q957-L961 WeakPolarHBondContact O-CG 3.41Å; Q957-L961 PolarHBondContact O-N 2.83Å; I958-L961 PolarHBondContact O-N 3Å; I958-L961 VanDerWaalsContact O-N 3.14Å; N959-L961 VanDerWaalsContact C-N 3.34Å; L961-K964 PolarHBondContact O-N 3.47Å; L961-L965 PolarHBondContact O-N 3.4Å |
| 962 | Q | 89.1 | Confident | 88.6 | Confident | 107 Ų | 107 | 103.8 Ų | 103.8 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 174.8 | -71.2 | -176 | -74.3 | 0 | 0 | 111.5 | I958 K964 L965 I966 | I958-Q962 HydrophobicContact CG2-CG 4.34Å; I958-Q962 WeakPolarHBondContact O-CG 3.25Å; I958-Q962 PolarHBondContact O-N 2.91Å; Q962-K964 VanDerWaalsContact C-N 3.29Å; Q962-K964 PolarHBondContact O-N 2.9Å; Q962-L965 PolarHBondContact O-N 3Å; Q962-I966 WeakPolarHBondContact O-CB 3.29Å; Q962-I966 VanDerWaalsContact O-CG1 3.29Å; Q962-I966 WeakPolarHBondContact O-CG1 3.4Å; Q962-I966 PolarHBondContact O-N 3.5Å |
| 963 | N | 88.4 | Confident | 88.6 | Confident | 93 Ų | 93 | 103.6 Ų | 103.6 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.9 | -32 | 174.8 | -74.8 | -24.3 | 0 | 0 | 0 | 112.5 | N959 N967 | N959-N963 VanDerWaalsContact O-CB 3.29Å; N959-N963 WeakPolarHBondContact O-CB 3.37Å; N959-N963 VanDerWaalsContact O-CG 3.31Å; N959-N963 PolarHBondContact O-N 2.83Å; N959-N963 PolarHBondContact O-ND2 3.4Å; N963-N967 VanDerWaalsContact O-CB 3.28Å; N963-N967 WeakPolarHBondContact O-CB 3.35Å; N963-N967 PolarHBondContact O-N 3.22Å; N963-N967 VanDerWaalsContact O-N 3.12Å; N963-N967 PolarHBondContact O-ND2 3.38Å |
| 964 | K | 90.5 | Very high | 88.5 | Confident | 129 Ų | 129 | 105.1 Ų | 105.1 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65 | -50.3 | 170.4 | -82.5 | 179.6 | 176.1 | -170 | 0 | 111.5 | I960 L961 Q962 I966 N967 E968 | I960-K964 HydrophobicContact CG2-CD 4.46Å; I960-K964 WeakPolarHBondContact O-CB 3.32Å; I960-K964 VanDerWaalsContact O-CG 3.29Å; I960-K964 WeakPolarHBondContact O-CG 3.39Å; I960-K964 PolarHBondContact O-N 2.94Å; L961-K964 PolarHBondContact O-N 3.47Å; Q962-K964 VanDerWaalsContact C-N 3.29Å; Q962-K964 PolarHBondContact O-N 2.9Å; K964-I966 PolarHBondContact O-N 3.41Å; K964-N967 CarbonylContact O-C 3.6Å; K964-N967 PolarHBondContact O-N 2.82Å; K964-N967 VanDerWaalsContact O-N 3.15Å; K964-E968 WeakPolarHBondContact O-CB 3.44Å; K964-E968 PolarHBondContact O-N 2.87Å |
| 965 | L | 89.2 | Confident | 88.3 | Confident | 109 Ų | 109 | 104.9 Ų | 104.9 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.3 | -47.1 | -179.3 | -146 | 82.6 | 0 | 0 | 0 | 111.5 | L961 Q962 N967 E968 D969 | L961-L965 PolarHBondContact O-N 3.4Å; Q962-L965 PolarHBondContact O-N 3Å; L965-N967 VanDerWaalsContact C-N 3.3Å; L965-N967 PolarHBondContact O-N 2.92Å; L965-E968 WeakPolarHBondContact O-CA 3.4Å; L965-E968 WeakPolarHBondContact O-CB 3.09Å; L965-E968 PolarHBondContact O-N 3.23Å; L965-D969 PolarHBondContact O-N 2.94Å |
| 966 | I | 90 | Very high | 88.2 | Confident | 88 Ų | 88 | 102.5 Ų | 102.5 | 45% | 0.451 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.1 | -38 | 177.2 | -68 | 164.8 | 0 | 0 | 0 | 111.6 | Q962 K964 E968 K970 | Q962-I966 WeakPolarHBondContact O-CB 3.29Å; Q962-I966 VanDerWaalsContact O-CG1 3.29Å; Q962-I966 WeakPolarHBondContact O-CG1 3.4Å; Q962-I966 PolarHBondContact O-N 3.5Å; K964-I966 PolarHBondContact O-N 3.41Å; I966-E968 VanDerWaalsContact C-N 3.31Å; I966-K970 WeakPolarHBondContact O-CB 3.17Å; I966-K970 VanDerWaalsContact O-CG 3.3Å; I966-K970 WeakPolarHBondContact O-CG 3.39Å; I966-K970 PolarHBondContact O-N 2.94Å |
| 967 | N | 89.4 | Confident | 88 | Confident | 90 Ų | 90 | 105.9 Ų | 105.9 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -75.8 | -17.5 | 175.2 | -72.2 | -15.9 | 0 | 0 | 0 | 113.3 | N963 K964 L965 K971 | N963-N967 VanDerWaalsContact O-CB 3.28Å; N963-N967 WeakPolarHBondContact O-CB 3.35Å; N963-N967 PolarHBondContact O-N 3.22Å; N963-N967 VanDerWaalsContact O-N 3.12Å; N963-N967 PolarHBondContact O-ND2 3.38Å; K964-N967 CarbonylContact O-C 3.6Å; K964-N967 PolarHBondContact O-N 2.82Å; K964-N967 VanDerWaalsContact O-N 3.15Å; L965-N967 VanDerWaalsContact C-N 3.3Å; L965-N967 PolarHBondContact O-N 2.92Å; N967-K971 WeakPolarHBondContact O-CD 3.39Å; N967-K971 VanDerWaalsContact O-CG 3.24Å; N967-K971 WeakPolarHBondContact O-CG 3.37Å; N967-K971 PolarHBondContact O-N 2.88Å |
| 968 | E | 89 | Confident | 87.8 | Confident | 111 Ų | 111 | 105.9 Ų | 105.9 | 52% | 0.519 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -87.2 | -38.8 | 176.6 | -152.4 | 168.6 | 173.9 | 0 | 0 | 110.9 | K964 L965 I966 K971 R972 | K964-E968 WeakPolarHBondContact O-CB 3.44Å; K964-E968 PolarHBondContact O-N 2.87Å; L965-E968 WeakPolarHBondContact O-CA 3.4Å; L965-E968 WeakPolarHBondContact O-CB 3.09Å; L965-E968 PolarHBondContact O-N 3.23Å; I966-E968 VanDerWaalsContact C-N 3.31Å; E968-K971 PolarHBondContact O-N 3.31Å; E968-R972 WeakPolarHBondContact O-CG 3.32Å; E968-R972 PolarHBondContact O-N 2.9Å |
| 969 | D | 85.8 | Confident | 87.5 | Confident | 87 Ų | 87 | 103.3 Ų | 103.3 | 47% | 0.465 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 170.8 | -72.8 | -30.1 | 0 | 0 | 0 | 111.8 | L965 K971 R972 V973 | L965-D969 PolarHBondContact O-N 2.94Å; D969-K971 VanDerWaalsContact C-N 3.33Å; D969-K971 PolarHBondContact O-N 2.92Å; D969-R972 WeakPolarHBondContact O-CB 3.43Å; D969-R972 PolarHBondContact O-N 2.95Å; D969-V973 PolarHBondContact O-N 3.01Å; D969-V973 VanDerWaalsContact O-N 3.16Å |
| 970 | K | 87.1 | Confident | 87.3 | Confident | 113 Ų | 113 | 104 Ų | 104 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -55.6 | -46.8 | 171.9 | -83 | -178.9 | 175.3 | -172.4 | 0 | 112.3 | I966 R972 V973 E974 | I966-K970 WeakPolarHBondContact O-CB 3.17Å; I966-K970 VanDerWaalsContact O-CG 3.3Å; I966-K970 WeakPolarHBondContact O-CG 3.39Å; I966-K970 PolarHBondContact O-N 2.94Å; K970-R972 PolarHBondContact O-N 3.33Å; K970-V973 PolarHBondContact O-N 3.32Å; K970-V973 VanDerWaalsContact O-N 3.15Å; K970-E974 WeakPolarHBondContact O-CB 3.35Å; K970-E974 VanDerWaalsContact O-CG 3.24Å; K970-E974 WeakPolarHBondContact O-CG 3.43Å; K970-E974 PolarHBondContact O-N 3.49Å |
| 971 | K | 88.1 | Confident | 87 | Confident | 142 Ų | 142 | 104.5 Ų | 104.5 | 62% | 0.617 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.3 | -19.6 | 177.3 | -79.2 | 177.6 | 177.1 | -167.1 | 0 | 114.5 | N967 E968 D969 A975 | N967-K971 WeakPolarHBondContact O-CD 3.39Å; N967-K971 VanDerWaalsContact O-CG 3.24Å; N967-K971 WeakPolarHBondContact O-CG 3.37Å; N967-K971 PolarHBondContact O-N 2.88Å; E968-K971 PolarHBondContact O-N 3.31Å; D969-K971 VanDerWaalsContact C-N 3.33Å; D969-K971 PolarHBondContact O-N 2.92Å; K971-A975 VanDerWaalsContact O-CB 3.24Å; K971-A975 WeakPolarHBondContact O-CB 3.38Å; K971-A975 PolarHBondContact O-N 3.48Å |
| 972 | R | 84.6 | Confident | 86.7 | Confident | 158 Ų | 158 | 107 Ų | 107 | 60% | 0.596 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -78.4 | -49 | 171.6 | -68.5 | 173.1 | -178.6 | -143.3 | 0.3 | 110.5 | E968 D969 K970 E974 A975 D976 | E968-R972 WeakPolarHBondContact O-CG 3.32Å; E968-R972 PolarHBondContact O-N 2.9Å; D969-R972 WeakPolarHBondContact O-CB 3.43Å; D969-R972 PolarHBondContact O-N 2.95Å; K970-R972 PolarHBondContact O-N 3.33Å; R972-E974 PolarHBondContact O-N 3.4Å; R972-A975 PolarHBondContact O-N 3.42Å; R972-D976 PolarHBondContact O-N 2.8Å |
| 973 | V | 86.7 | Confident | 86.6 | Confident | 79 Ų | 79 | 107.5 Ų | 107.5 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.5 | -47.8 | 175 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | D969 K970 A975 D976 E977 | D969-V973 PolarHBondContact O-N 3.01Å; D969-V973 VanDerWaalsContact O-N 3.16Å; K970-V973 PolarHBondContact O-N 3.32Å; K970-V973 VanDerWaalsContact O-N 3.15Å; V973-A975 PolarHBondContact O-N 3.03Å; V973-D976 PolarHBondContact O-N 3.29Å; V973-E977 HydrophobicContact CG1-CG 4.34Å; V973-E977 WeakPolarHBondContact CG1-OE1 3.39Å; V973-E977 WeakPolarHBondContact O-CB 3.36Å; V973-E977 WeakPolarHBondContact O-CG 3.42Å; V973-E977 PolarHBondContact O-N 3Å |
| 974 | E | 85.3 | Confident | 86.4 | Confident | 108 Ų | 108 | 109.5 Ų | 109.5 | 51% | 0.505 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.4 | -30.2 | 175 | -70.1 | 161.7 | -166.9 | 0 | 0 | 112.6 | K970 R972 L978 | K970-E974 WeakPolarHBondContact O-CB 3.35Å; K970-E974 VanDerWaalsContact O-CG 3.24Å; K970-E974 WeakPolarHBondContact O-CG 3.43Å; K970-E974 PolarHBondContact O-N 3.49Å; R972-E974 PolarHBondContact O-N 3.4Å; E974-L978 WeakPolarHBondContact O-CB 3.5Å; E974-L978 PolarHBondContact O-N 2.84Å |
| 975 | A | 84.6 | Confident | 86.1 | Confident | 56 Ų | 56 | 105.9 Ų | 105.9 | 46% | 0.463 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -84.2 | -36.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | K971 R972 V973 L978 G979 | K971-A975 VanDerWaalsContact O-CB 3.24Å; K971-A975 WeakPolarHBondContact O-CB 3.38Å; K971-A975 PolarHBondContact O-N 3.48Å; R972-A975 PolarHBondContact O-N 3.42Å; V973-A975 PolarHBondContact O-N 3.03Å; A975-L978 PolarHBondContact O-N 3.01Å; A975-G979 PolarHBondContact O-N 3.41Å |
| 976 | D | 85.2 | Confident | 85.7 | Confident | 119 Ų | 119 | 104.9 Ų | 104.9 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.3 | -42.7 | 174.9 | -67.7 | -28.8 | 0 | 0 | 0 | 110.3 | R972 V973 L978 G979 D980 | R972-D976 PolarHBondContact O-N 2.8Å; V973-D976 PolarHBondContact O-N 3.29Å; D976-L978 VanDerWaalsContact C-N 3.34Å; D976-L978 PolarHBondContact O-N 3.27Å; D976-G979 WeakPolarHBondContact O-CA 3.26Å; D976-G979 PolarHBondContact O-N 3.12Å; D976-G979 VanDerWaalsContact O-N 3.08Å; D976-D980 PolarHBondContact O-N 2.88Å; D976-D980 VanDerWaalsContact O-N 3.09Å |
| 977 | E | 84.5 | Confident | 85.4 | Confident | 118 Ų | 118 | 105 Ų | 105 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.3 | -41.1 | 172.1 | -72.8 | 174.2 | 174 | 0 | 0 | 111.8 | V973 G979 D980 L981 | V973-E977 HydrophobicContact CG1-CG 4.34Å; V973-E977 WeakPolarHBondContact CG1-OE1 3.39Å; V973-E977 WeakPolarHBondContact O-CB 3.36Å; V973-E977 WeakPolarHBondContact O-CG 3.42Å; V973-E977 PolarHBondContact O-N 3Å; E977-G979 VanDerWaalsContact C-N 3.27Å; E977-G979 PolarHBondContact O-N 3.28Å; E977-D980 PolarHBondContact O-N 3.2Å; E977-L981 WeakPolarHBondContact O-CB 3.36Å; E977-L981 WeakPolarHBondContact O-CG 3.37Å; E977-L981 PolarHBondContact O-N 2.89Å |
| 978 | L | 84.9 | Confident | 85 | Confident | 121 Ų | 121 | 106.9 Ų | 106.9 | 63% | 0.634 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.4 | -31.7 | 174 | -159.3 | 77.1 | 0 | 0 | 0 | 112.3 | E974 A975 D976 Y982 | E974-L978 WeakPolarHBondContact O-CB 3.5Å; E974-L978 PolarHBondContact O-N 2.84Å; A975-L978 PolarHBondContact O-N 3.01Å; D976-L978 VanDerWaalsContact C-N 3.34Å; D976-L978 PolarHBondContact O-N 3.27Å; L978-Y982 WeakPolarHBondContact O-CB 3.34Å; L978-Y982 PolarHBondContact O-N 3.05Å |
| 979 | G | 84.6 | Confident | 84.6 | Confident | 39 Ų | 39 | 104.1 Ų | 104.1 | 40% | 0.402 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.9 | -47.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | A975 D976 E977 Y982 K983 | A975-G979 PolarHBondContact O-N 3.41Å; D976-G979 WeakPolarHBondContact O-CA 3.26Å; D976-G979 PolarHBondContact O-N 3.12Å; D976-G979 VanDerWaalsContact O-N 3.08Å; E977-G979 VanDerWaalsContact C-N 3.27Å; E977-G979 PolarHBondContact O-N 3.28Å; G979-Y982 PolarHBondContact O-N 3.33Å; G979-K983 PolarHBondContact O-N 3.47Å |
| 980 | D | 85.4 | Confident | 84.5 | Confident | 111 Ų | 111 | 106.2 Ų | 106.2 | 59% | 0.594 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.9 | -34.8 | 176.3 | -89.6 | -13.5 | 0 | 0 | 0 | 112.2 | D976 E977 K983 K984 | D976-D980 PolarHBondContact O-N 2.88Å; D976-D980 VanDerWaalsContact O-N 3.09Å; E977-D980 PolarHBondContact O-N 3.2Å; D980-K983 PolarHBondContact O-N 2.84Å; D980-K984 PolarHBondContact O-N 3.36Å |
| 981 | L | 84 | Confident | 84.2 | Confident | 105 Ų | 105 | 106 Ų | 106 | 55% | 0.55 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 170.6 | -75 | 170.4 | 0 | 0 | 0 | 111.8 | E977 K983 K984 A985 | E977-L981 WeakPolarHBondContact O-CB 3.36Å; E977-L981 WeakPolarHBondContact O-CG 3.37Å; E977-L981 PolarHBondContact O-N 2.89Å; L981-K983 VanDerWaalsContact C-N 3.29Å; L981-K983 PolarHBondContact O-N 3.24Å; L981-K984 PolarHBondContact O-N 3.4Å; L981-A985 WeakPolarHBondContact O-CB 3.33Å; L981-A985 PolarHBondContact O-N 2.87Å |
| 982 | Y | 84.2 | Confident | 83.8 | Confident | 165 Ų | 165 | 103.7 Ų | 103.7 | 65% | 0.647 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.4 | -37.1 | 175.6 | -169.4 | -85 | 0 | 0 | 0 | 111.9 | L978 G979 A985 M986 | L978-Y982 WeakPolarHBondContact O-CB 3.34Å; L978-Y982 PolarHBondContact O-N 3.05Å; G979-Y982 PolarHBondContact O-N 3.33Å; Y982-A985 PolarHBondContact O-N 2.89Å; Y982-M986 HydrophobicContact CD1-CG 4.04Å; Y982-M986 HydrophobicContact CE1-CG 3.72Å; Y982-M986 HydrophobicContact CE1-SD 4.21Å; Y982-M986 WeakPolarHBondContact O-CG 3.43Å; Y982-M986 PolarHBondContact O-N 3.45Å |
| 983 | K | 86.2 | Confident | 83.7 | Confident | 117 Ų | 117 | 102.8 Ų | 102.8 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 175.7 | -172.6 | 173.6 | 179.7 | -75.6 | 0 | 112.4 | G979 D980 L981 A985 M986 E987 | G979-K983 PolarHBondContact O-N 3.47Å; D980-K983 PolarHBondContact O-N 2.84Å; L981-K983 VanDerWaalsContact C-N 3.29Å; L981-K983 PolarHBondContact O-N 3.24Å; K983-A985 VanDerWaalsContact C-N 3.34Å; K983-M986 WeakPolarHBondContact O-CB 2.82Å; K983-M986 PolarHBondContact O-N 3.3Å; K983-E987 IonicContact NZ-OE1 3.91Å; K983-E987 PolarHBondContact NZ-OE1 2.76Å; K983-E987 PolarHBondContact O-N 3.36Å |
| 984 | K | 85.3 | Confident | 83.5 | Confident | 134 Ų | 134 | 105.4 Ų | 105.4 | 58% | 0.583 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.9 | -38 | 173.2 | -74.1 | 177.2 | 179.4 | 173.8 | 0 | 112.4 | D980 L981 M986 E987 Q988 | D980-K984 PolarHBondContact O-N 3.36Å; L981-K984 PolarHBondContact O-N 3.4Å; K984-M986 VanDerWaalsContact C-N 3.34Å; K984-E987 PolarHBondContact O-N 3.32Å; K984-Q988 WeakPolarHBondContact O-CB 3.48Å; K984-Q988 WeakPolarHBondContact O-CG 3.38Å; K984-Q988 PolarHBondContact O-N 3.44Å |
| 985 | A | 83.4 | Confident | 83 | Confident | 53 Ų | 53 | 106.4 Ų | 106.4 | 44% | 0.438 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.9 | -34.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L981 Y982 K983 A989 | L981-A985 WeakPolarHBondContact O-CB 3.33Å; L981-A985 PolarHBondContact O-N 2.87Å; Y982-A985 PolarHBondContact O-N 2.89Å; K983-A985 VanDerWaalsContact C-N 3.34Å; A985-A989 VanDerWaalsContact O-CB 3.25Å; A985-A989 WeakPolarHBondContact O-CB 3.36Å; A985-A989 PolarHBondContact O-N 3.37Å |
| 986 | M | 82.5 | Confident | 82.8 | Confident | 88 Ų | 88 | 106.9 Ų | 106.9 | 43% | 0.433 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.3 | -48.4 | 170.1 | -79.8 | -78.5 | -57.2 | 0 | 0 | 111.9 | Y982 K983 K984 Q988 A989 E990 | Y982-M986 HydrophobicContact CD1-CG 4.04Å; Y982-M986 HydrophobicContact CE1-CG 3.72Å; Y982-M986 HydrophobicContact CE1-SD 4.21Å; Y982-M986 WeakPolarHBondContact O-CG 3.43Å; Y982-M986 PolarHBondContact O-N 3.45Å; K983-M986 WeakPolarHBondContact O-CB 2.82Å; K983-M986 PolarHBondContact O-N 3.3Å; K984-M986 VanDerWaalsContact C-N 3.34Å; M986-Q988 PolarHBondContact O-N 2.83Å; M986-A989 WeakPolarHBondContact O-CB 3.45Å; M986-A989 PolarHBondContact O-N 3.22Å; M986-A989 VanDerWaalsContact O-N 3.12Å; M986-E990 PolarHBondContact O-N 3.38Å |
| 987 | E | 82.6 | Confident | 82.6 | Confident | 92 Ų | 92 | 104.6 Ų | 104.6 | 43% | 0.43 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 178.6 | -72 | 167 | -174.8 | 0 | 0 | 111 | K983 K984 A989 E990 D991 | K983-E987 IonicContact NZ-OE1 3.91Å; K983-E987 PolarHBondContact NZ-OE1 2.76Å; K983-E987 PolarHBondContact O-N 3.36Å; K984-E987 PolarHBondContact O-N 3.32Å; E987-A989 VanDerWaalsContact C-N 3.33Å; E987-A989 PolarHBondContact O-N 3.32Å; E987-E990 PolarHBondContact O-N 2.75Å; E987-D991 PolarHBondContact O-N 3.01Å; E987-D991 VanDerWaalsContact O-N 3.14Å |
| 988 | Q | 82.1 | Confident | 82.3 | Confident | 129 Ų | 129 | 103.3 Ų | 103.3 | 60% | 0.603 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.1 | -32.8 | 172.7 | -73.8 | -175.1 | -40.9 | 0 | 0 | 113.6 | K984 M986 L992 | K984-Q988 WeakPolarHBondContact O-CB 3.48Å; K984-Q988 WeakPolarHBondContact O-CG 3.38Å; K984-Q988 PolarHBondContact O-N 3.44Å; M986-Q988 PolarHBondContact O-N 2.83Å; Q988-L992 VanDerWaalsContact O-CB 3.27Å; Q988-L992 WeakPolarHBondContact O-CB 3.37Å; Q988-L992 WeakPolarHBondContact O-CD1 3.29Å; Q988-L992 WeakPolarHBondContact O-CG 3.48Å; Q988-L992 PolarHBondContact O-N 3.25Å |
| 989 | A | 80.6 | Confident | 82 | Confident | 53 Ų | 53 | 99.6 Ų | 99.6 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.8 | -32.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A985 M986 E987 Q993 | A985-A989 VanDerWaalsContact O-CB 3.25Å; A985-A989 WeakPolarHBondContact O-CB 3.36Å; A985-A989 PolarHBondContact O-N 3.37Å; M986-A989 WeakPolarHBondContact O-CB 3.45Å; M986-A989 PolarHBondContact O-N 3.22Å; M986-A989 VanDerWaalsContact O-N 3.12Å; E987-A989 VanDerWaalsContact C-N 3.33Å; E987-A989 PolarHBondContact O-N 3.32Å; A989-Q993 VanDerWaalsContact O-CB 3.25Å; A989-Q993 WeakPolarHBondContact O-CB 3.42Å; A989-Q993 PolarHBondContact O-N 3.22Å |
| 990 | E | 81.9 | Confident | 81.8 | Confident | 130 Ų | 130 | 103.9 Ų | 103.9 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.1 | -45 | 173.5 | -69.8 | -173.5 | -179.5 | 0 | 0 | 111.5 | M986 E987 Q993 Q994 | M986-E990 PolarHBondContact O-N 3.38Å; E987-E990 PolarHBondContact O-N 2.75Å; E990-Q993 PolarHBondContact O-N 2.91Å; E990-Q994 PolarHBondContact O-N 3.43Å |
| 991 | D | 80.8 | Confident | 81.5 | Confident | 108 Ų | 108 | 100.9 Ų | 100.9 | 58% | 0.578 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.7 | -49.7 | 174.1 | -78 | -25.8 | 0 | 0 | 0 | 111.6 | E987 Q993 Q994 E995 | E987-D991 PolarHBondContact O-N 3.01Å; E987-D991 VanDerWaalsContact O-N 3.14Å; D991-Q993 PolarHBondContact O-N 3.27Å; D991-Q994 WeakPolarHBondContact O-CA 3.38Å; D991-Q994 WeakPolarHBondContact O-CB 3.45Å; D991-Q994 PolarHBondContact O-N 2.93Å; D991-E995 PolarHBondContact O-N 2.84Å |
| 992 | L | 80.1 | Confident | 81.1 | Confident | 95 Ų | 95 | 101.8 Ų | 101.8 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.3 | -31.5 | 176.3 | -74.8 | 169.2 | 0 | 0 | 0 | 112.5 | Q988 L996 | Q988-L992 VanDerWaalsContact O-CB 3.27Å; Q988-L992 WeakPolarHBondContact O-CB 3.37Å; Q988-L992 WeakPolarHBondContact O-CD1 3.29Å; Q988-L992 WeakPolarHBondContact O-CG 3.48Å; Q988-L992 PolarHBondContact O-N 3.25Å; L992-L996 VanDerWaalsContact O-CB 3.23Å; L992-L996 WeakPolarHBondContact O-CB 3.49Å; L992-L996 WeakPolarHBondContact O-CG 3.33Å; L992-L996 PolarHBondContact O-N 3.13Å |
| 993 | Q | 82.6 | Confident | 80.9 | Confident | 139 Ų | 139 | 96.6 Ų | 96.6 | 65% | 0.65 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -71.8 | -30.9 | 174.4 | -171.4 | 170.5 | -86.4 | 0 | 0 | 112.1 | A989 E990 D991 S997 | A989-Q993 VanDerWaalsContact O-CB 3.25Å; A989-Q993 WeakPolarHBondContact O-CB 3.42Å; A989-Q993 PolarHBondContact O-N 3.22Å; E990-Q993 PolarHBondContact O-N 2.91Å; D991-Q993 PolarHBondContact O-N 3.27Å; Q993-S997 PolarHBondContact O-N 3.32Å; Q993-S997 PolarHBondContact O-OG 3.48Å |
| 994 | Q | 82.2 | Confident | 80.9 | Confident | 134 Ų | 134 | 97.6 Ų | 97.6 | 63% | 0.626 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -72.9 | -43.6 | 172.2 | -170.1 | 166.9 | -57.8 | 0 | 0 | 111.6 | E990 D991 S997 I998 | E990-Q994 PolarHBondContact O-N 3.43Å; D991-Q994 WeakPolarHBondContact O-CA 3.38Å; D991-Q994 WeakPolarHBondContact O-CB 3.45Å; D991-Q994 PolarHBondContact O-N 2.93Å; Q994-S997 WeakPolarHBondContact O-CA 3.32Å; Q994-S997 WeakPolarHBondContact O-CB 3.46Å; Q994-S997 PolarHBondContact O-N 3.01Å; Q994-I998 PolarHBondContact O-N 3.08Å; Q994-I998 VanDerWaalsContact O-N 3.08Å |
| 995 | E | 75.5 | Confident | 80.8 | Confident | 128 Ų | 128 | 96 Ų | 96 | 60% | 0.598 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.7 | -44.1 | 173.2 | -69.3 | -168.1 | 149.3 | 0 | 0 | 112 | D991 S997 I998 S999 | D991-E995 PolarHBondContact O-N 2.84Å; E995-S997 PolarHBondContact O-N 3.19Å; E995-S997 VanDerWaalsContact O-N 3.13Å; E995-I998 PolarHBondContact O-N 3.33Å; E995-I998 VanDerWaalsContact O-N 3.09Å; E995-S999 WeakPolarHBondContact O-CB 3.3Å; E995-S999 PolarHBondContact O-N 3.24Å |
| 996 | L | 79.7 | Confident | 80.7 | Confident | 67 Ų | 67 | 95.7 Ų | 95.7 | 35% | 0.351 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.8 | -25.4 | 171.3 | -90 | 165.2 | 0 | 0 | 0 | 113.1 | L992 K1000 | L992-L996 VanDerWaalsContact O-CB 3.23Å; L992-L996 WeakPolarHBondContact O-CB 3.49Å; L992-L996 WeakPolarHBondContact O-CG 3.33Å; L992-L996 PolarHBondContact O-N 3.13Å; L996-K1000 VanDerWaalsContact O-CB 3.32Å; L996-K1000 WeakPolarHBondContact O-CB 3.5Å; L996-K1000 WeakPolarHBondContact O-CD 3.42Å; L996-K1000 WeakPolarHBondContact O-CG 3.22Å; L996-K1000 PolarHBondContact O-N 2.89Å |
| 997 | S | 81 | Confident | 80.8 | Confident | 70 Ų | 70 | 98 Ų | 98 | 49% | 0.49 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -82 | -33.7 | 177.4 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | Q993 Q994 E995 A1001 | Q993-S997 PolarHBondContact O-N 3.32Å; Q993-S997 PolarHBondContact O-OG 3.48Å; Q994-S997 WeakPolarHBondContact O-CA 3.32Å; Q994-S997 WeakPolarHBondContact O-CB 3.46Å; Q994-S997 PolarHBondContact O-N 3.01Å; E995-S997 PolarHBondContact O-N 3.19Å; E995-S997 VanDerWaalsContact O-N 3.13Å; S997-A1001 PolarHBondContact O-N 3.27Å |
| 998 | I | 79.3 | Confident | 81 | Confident | 92 Ų | 92 | 98.6 Ų | 98.6 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.2 | -51.1 | 172.8 | -64 | 169.4 | 0 | 0 | 0 | 110 | Q994 E995 K1000 A1001 E1002 | Q994-I998 PolarHBondContact O-N 3.08Å; Q994-I998 VanDerWaalsContact O-N 3.08Å; E995-I998 PolarHBondContact O-N 3.33Å; E995-I998 VanDerWaalsContact O-N 3.09Å; I998-K1000 VanDerWaalsContact C-N 3.28Å; I998-K1000 PolarHBondContact O-N 3.34Å; I998-A1001 WeakPolarHBondContact O-CA 3.46Å; I998-A1001 WeakPolarHBondContact O-CB 3.44Å; I998-A1001 PolarHBondContact O-N 3.15Å; I998-E1002 HydrophobicContact CG2-CG 4.4Å; I998-E1002 PolarHBondContact O-N 2.89Å |
| 999 | S | 77.9 | Confident | 81 | Confident | 42 Ų | 42 | 96.8 Ų | 96.8 | 29% | 0.294 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56 | -38.7 | 176.2 | 168.2 | 0 | 0 | 0 | 0 | 112.4 | E995 A1001 E1002 T1003 | E995-S999 WeakPolarHBondContact O-CB 3.3Å; E995-S999 PolarHBondContact O-N 3.24Å; S999-A1001 VanDerWaalsContact C-N 3.3Å; S999-A1001 PolarHBondContact O-N 2.83Å; S999-E1002 PolarHBondContact O-N 3.24Å; S999-T1003 WeakPolarHBondContact O-CB 3.44Å; S999-T1003 WeakPolarHBondContact O-CG2 3.25Å; S999-T1003 PolarHBondContact O-N 3.39Å; S999-T1003 PolarHBondContact O-OG1 3.47Å |
| 1000 | K | 81.4 | Confident | 81.2 | Confident | 129 Ų | 129 | 99.7 Ų | 99.7 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.1 | -29.6 | 172.5 | -79.8 | 167.9 | -165.9 | 162.8 | 0 | 113.9 | L996 I998 T1003 K1004 | L996-K1000 VanDerWaalsContact O-CB 3.32Å; L996-K1000 WeakPolarHBondContact O-CB 3.5Å; L996-K1000 WeakPolarHBondContact O-CD 3.42Å; L996-K1000 WeakPolarHBondContact O-CG 3.22Å; L996-K1000 PolarHBondContact O-N 2.89Å; I998-K1000 VanDerWaalsContact C-N 3.28Å; I998-K1000 PolarHBondContact O-N 3.34Å; K1000-T1003 WeakPolarHBondContact CA-OG1 3.36Å; K1000-T1003 PolarHBondContact O-OG1 3.04Å; K1000-K1004 WeakPolarHBondContact O-CB 3.43Å; K1000-K1004 PolarHBondContact O-N 2.93Å |
| 1001 | A | 77.6 | Confident | 81.4 | Confident | 48 Ų | 48 | 100 Ų | 100 | 40% | 0.397 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -76.4 | -43.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S997 I998 S999 K1004 I1005 | S997-A1001 PolarHBondContact O-N 3.27Å; I998-A1001 WeakPolarHBondContact O-CA 3.46Å; I998-A1001 WeakPolarHBondContact O-CB 3.44Å; I998-A1001 PolarHBondContact O-N 3.15Å; S999-A1001 VanDerWaalsContact C-N 3.3Å; S999-A1001 PolarHBondContact O-N 2.83Å; A1001-K1004 PolarHBondContact O-N 3.44Å; A1001-I1005 WeakPolarHBondContact O-CG1 3.36Å; A1001-I1005 PolarHBondContact O-N 2.89Å |
| 1002 | E | 76.8 | Confident | 81.7 | Confident | 124 Ų | 124 | 99.8 Ų | 99.8 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.9 | -45.7 | 178.9 | -67.1 | 178.9 | 146.9 | 0 | 0 | 112.2 | I998 S999 K1004 I1005 A1006 | I998-E1002 HydrophobicContact CG2-CG 4.4Å; I998-E1002 PolarHBondContact O-N 2.89Å; S999-E1002 PolarHBondContact O-N 3.24Å; E1002-K1004 VanDerWaalsContact C-N 3.28Å; E1002-K1004 PolarHBondContact O-N 3.48Å; E1002-I1005 PolarHBondContact O-N 2.84Å; E1002-A1006 WeakPolarHBondContact O-CB 3.36Å; E1002-A1006 PolarHBondContact O-N 3.29Å |
| 1003 | T | 80.5 | Confident | 81.9 | Confident | 57 Ų | 57 | 104.5 Ų | 104.5 | 35% | 0.35 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.2 | -35.3 | 173.6 | 50.2 | 0 | 0 | 0 | 0 | 112.2 | S999 K1000 A1006 Q1007 | S999-T1003 WeakPolarHBondContact O-CB 3.44Å; S999-T1003 WeakPolarHBondContact O-CG2 3.25Å; S999-T1003 PolarHBondContact O-N 3.39Å; S999-T1003 PolarHBondContact O-OG1 3.47Å; K1000-T1003 WeakPolarHBondContact CA-OG1 3.36Å; K1000-T1003 PolarHBondContact O-OG1 3.04Å; T1003-A1006 PolarHBondContact O-N 2.81Å; T1003-Q1007 WeakPolarHBondContact O-CB 3.36Å; T1003-Q1007 WeakPolarHBondContact O-CG 3.34Å; T1003-Q1007 PolarHBondContact O-N 3.29Å |
| 1004 | K | 86.1 | Confident | 82 | Confident | 137 Ų | 137 | 102.6 Ų | 102.6 | 60% | 0.596 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.4 | -43.4 | 173.7 | -172.2 | -174 | 175.1 | -165.9 | 0 | 111.9 | K1000 A1001 E1002 A1006 Q1007 E1008 | K1000-K1004 WeakPolarHBondContact O-CB 3.43Å; K1000-K1004 PolarHBondContact O-N 2.93Å; A1001-K1004 PolarHBondContact O-N 3.44Å; E1002-K1004 VanDerWaalsContact C-N 3.28Å; E1002-K1004 PolarHBondContact O-N 3.48Å; K1004-A1006 VanDerWaalsContact C-N 3.32Å; K1004-Q1007 PolarHBondContact O-N 3.32Å; K1004-E1008 WeakPolarHBondContact O-CB 3.49Å; K1004-E1008 PolarHBondContact O-N 2.95Å |
| 1005 | I | 81.3 | Confident | 82.2 | Confident | 100 Ų | 100 | 102.2 Ų | 102.2 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 175 | -68.7 | 163.6 | 0 | 0 | 0 | 110.5 | A1001 E1002 E1008 N1009 | A1001-I1005 WeakPolarHBondContact O-CG1 3.36Å; A1001-I1005 PolarHBondContact O-N 2.89Å; E1002-I1005 PolarHBondContact O-N 2.84Å; I1005-E1008 PolarHBondContact O-N 3.47Å; I1005-N1009 WeakPolarHBondContact O-CB 3.4Å; I1005-N1009 VanDerWaalsContact O-CG 3.23Å; I1005-N1009 PolarHBondContact O-N 3.01Å; I1005-N1009 PolarHBondContact O-ND2 3.37Å |
| 1006 | A | 82.4 | Confident | 82.7 | Confident | 47 Ų | 47 | 99 Ų | 99 | 39% | 0.388 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1002 T1003 K1004 N1009 L1010 | E1002-A1006 WeakPolarHBondContact O-CB 3.36Å; E1002-A1006 PolarHBondContact O-N 3.29Å; T1003-A1006 PolarHBondContact O-N 2.81Å; K1004-A1006 VanDerWaalsContact C-N 3.32Å; A1006-N1009 PolarHBondContact O-N 2.84Å; A1006-L1010 WeakPolarHBondContact O-CB 3.28Å; A1006-L1010 VanDerWaalsContact O-CG 3.29Å; A1006-L1010 WeakPolarHBondContact O-CG 3.43Å; A1006-L1010 PolarHBondContact O-N 2.89Å |
| 1007 | Q | 84.1 | Confident | 83.1 | Confident | 137 Ų | 137 | 102.4 Ų | 102.4 | 64% | 0.64 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.3 | -40.7 | 173.8 | -76.7 | 177.7 | -3.7 | 0 | 0 | 112.3 | T1003 K1004 L1010 F1011 | T1003-Q1007 WeakPolarHBondContact O-CB 3.36Å; T1003-Q1007 WeakPolarHBondContact O-CG 3.34Å; T1003-Q1007 PolarHBondContact O-N 3.29Å; K1004-Q1007 PolarHBondContact O-N 3.32Å; Q1007-L1010 PolarHBondContact O-N 2.9Å; Q1007-F1011 WeakPolarHBondContact O-CB 3.44Å; Q1007-F1011 PolarHBondContact O-N 2.87Å |
| 1008 | E | 86.1 | Confident | 83.3 | Confident | 104 Ų | 104 | 102.2 Ų | 102.2 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67 | -41.6 | 177.4 | -167.4 | 167.8 | 166.4 | 0 | 0 | 111.6 | K1004 I1005 F1011 Q1012 | K1004-E1008 WeakPolarHBondContact O-CB 3.49Å; K1004-E1008 PolarHBondContact O-N 2.95Å; I1005-E1008 PolarHBondContact O-N 3.47Å; E1008-F1011 PolarHBondContact O-N 3.21Å; E1008-Q1012 WeakPolarHBondContact O-CG 3.38Å; E1008-Q1012 PolarHBondContact O-N 2.85Å |
| 1009 | N | 84.2 | Confident | 83.6 | Confident | 91 Ų | 91 | 100.3 Ų | 100.3 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 173.3 | -73.3 | -28.1 | 0 | 0 | 0 | 112.6 | I1005 A1006 R1013 | I1005-N1009 WeakPolarHBondContact O-CB 3.4Å; I1005-N1009 VanDerWaalsContact O-CG 3.23Å; I1005-N1009 PolarHBondContact O-N 3.01Å; I1005-N1009 PolarHBondContact O-ND2 3.37Å; A1006-N1009 PolarHBondContact O-N 2.84Å; N1009-R1013 WeakPolarHBondContact O-CB 3.4Å; N1009-R1013 PolarHBondContact O-N 3.44Å |
| 1010 | L | 83.8 | Confident | 84 | Confident | 115 Ų | 115 | 103.8 Ų | 103.8 | 60% | 0.602 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65 | -42.9 | 174.1 | -77.4 | 169.6 | 0 | 0 | 0 | 111.4 | A1006 Q1007 R1013 D1014 | A1006-L1010 WeakPolarHBondContact O-CB 3.28Å; A1006-L1010 VanDerWaalsContact O-CG 3.29Å; A1006-L1010 WeakPolarHBondContact O-CG 3.43Å; A1006-L1010 PolarHBondContact O-N 2.89Å; Q1007-L1010 PolarHBondContact O-N 2.9Å; L1010-R1013 PolarHBondContact O-N 2.66Å; L1010-D1014 WeakPolarHBondContact O-CB 3.37Å; L1010-D1014 PolarHBondContact O-N 2.88Å |
| 1011 | F | 86.7 | Confident | 84.3 | Confident | 136 Ų | 136 | 101.4 Ų | 101.4 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.3 | -42.5 | 176.2 | -177.1 | -99.4 | 0 | 0 | 0 | 112.2 | Q1007 E1008 D1014 Q1015 | Q1007-F1011 WeakPolarHBondContact O-CB 3.44Å; Q1007-F1011 PolarHBondContact O-N 2.87Å; E1008-F1011 PolarHBondContact O-N 3.21Å; F1011-D1014 PolarHBondContact O-N 2.95Å; F1011-Q1015 WeakPolarHBondContact O-CB 3.22Å; F1011-Q1015 PolarHBondContact O-N 2.94Å |
| 1012 | Q | 86.4 | Confident | 84.7 | Confident | 104 Ų | 104 | 102.2 Ų | 102.2 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 173.2 | -71.4 | 179.1 | 33.8 | 0 | 0 | 112.1 | E1008 A1016 | E1008-Q1012 WeakPolarHBondContact O-CG 3.38Å; E1008-Q1012 PolarHBondContact O-N 2.85Å; Q1012-A1016 WeakPolarHBondContact O-CB 3.4Å; Q1012-A1016 PolarHBondContact O-N 3.36Å |
| 1013 | R | 83.8 | Confident | 85.3 | Confident | 193 Ų | 193 | 102.5 Ų | 102.5 | 73% | 0.728 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.7 | -40 | 177.5 | -172.1 | 178.6 | 179.5 | 98.5 | 2.4 | 112.5 | N1009 L1010 A1016 W1017 | N1009-R1013 WeakPolarHBondContact O-CB 3.4Å; N1009-R1013 PolarHBondContact O-N 3.44Å; L1010-R1013 PolarHBondContact O-N 2.66Å; R1013-A1016 PolarHBondContact O-N 2.82Å; R1013-W1017 WeakPolarHBondContact O-CB 3.31Å; R1013-W1017 PolarHBondContact O-N 2.79Å |
| 1014 | D | 85.8 | Confident | 85.6 | Confident | 99 Ų | 99 | 105.1 Ų | 105.1 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 176.6 | -168.4 | 49.8 | 0 | 0 | 0 | 111.1 | L1010 F1011 A1016 W1017 Q1018 | L1010-D1014 WeakPolarHBondContact O-CB 3.37Å; L1010-D1014 PolarHBondContact O-N 2.88Å; F1011-D1014 PolarHBondContact O-N 2.95Å; D1014-A1016 VanDerWaalsContact C-N 3.35Å; D1014-A1016 PolarHBondContact O-N 3.35Å; D1014-W1017 PolarHBondContact O-N 3.45Å; D1014-Q1018 WeakPolarHBondContact O-CB 3.4Å; D1014-Q1018 PolarHBondContact O-N 2.84Å |
| 1015 | Q | 86.5 | Confident | 85.6 | Confident | 127 Ų | 127 | 102 Ų | 102 | 59% | 0.593 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.5 | -41.3 | 171.3 | -178 | 172.8 | 77.4 | 0 | 0 | 112.3 | F1011 A1019 | F1011-Q1015 WeakPolarHBondContact O-CB 3.22Å; F1011-Q1015 PolarHBondContact O-N 2.94Å; Q1015-A1019 WeakPolarHBondContact O-CB 3.48Å; Q1015-A1019 PolarHBondContact O-N 3.14Å |
| 1016 | A | 85.2 | Confident | 85.8 | Confident | 60 Ų | 60 | 104.2 Ų | 104.2 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1012 R1013 D1014 A1019 E1020 | Q1012-A1016 WeakPolarHBondContact O-CB 3.4Å; Q1012-A1016 PolarHBondContact O-N 3.36Å; R1013-A1016 PolarHBondContact O-N 2.82Å; D1014-A1016 VanDerWaalsContact C-N 3.35Å; D1014-A1016 PolarHBondContact O-N 3.35Å; A1016-A1019 PolarHBondContact O-N 3.17Å; A1016-E1020 PolarHBondContact O-N 3.3Å |
| 1017 | W | 88.2 | Confident | 86.1 | Confident | 139 Ų | 139 | 104.3 Ų | 104.3 | 53% | 0.527 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 177.4 | 179.9 | 74.4 | 0 | 0 | 0 | 112.4 | R1013 D1014 A1019 E1020 K1021 | R1013-W1017 WeakPolarHBondContact O-CB 3.31Å; R1013-W1017 PolarHBondContact O-N 2.79Å; D1014-W1017 PolarHBondContact O-N 3.45Å; W1017-A1019 VanDerWaalsContact C-N 3.32Å; W1017-A1019 PolarHBondContact O-N 3.01Å; W1017-E1020 PolarHBondContact O-N 2.86Å; W1017-K1021 HydrophobicContact CE3-CD 4.38Å; W1017-K1021 HydrophobicContact CH2-CD 3.67Å; W1017-K1021 HydrophobicContact CZ2-CD 4.06Å; W1017-K1021 HydrophobicContact CZ3-CD 3.83Å; W1017-K1021 VanDerWaalsContact O-CB 3.26Å; W1017-K1021 WeakPolarHBondContact O-CB 3.41Å; W1017-K1021 PolarHBondContact O-N 2.95Å |
| 1018 | Q | 85.2 | Confident | 86.2 | Confident | 66 Ų | 66 | 102.3 Ų | 102.3 | 31% | 0.308 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.6 | -35.4 | 175 | -179.1 | 54 | 44.6 | 0 | 0 | 111.4 | D1014 D1022 | D1014-Q1018 WeakPolarHBondContact O-CB 3.4Å; D1014-Q1018 PolarHBondContact O-N 2.84Å; Q1018-D1022 PolarHBondContact NE2-OD1 3.03Å; Q1018-D1022 PolarHBondContact NE2-OD2 3.28Å; Q1018-D1022 WeakPolarHBondContact O-CB 3.44Å; Q1018-D1022 PolarHBondContact O-N 3.01Å |
| 1019 | A | 86.3 | Confident | 86.2 | Confident | 52 Ų | 52 | 103.6 Ų | 103.6 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q1015 A1016 W1017 D1022 Q1023 | Q1015-A1019 WeakPolarHBondContact O-CB 3.48Å; Q1015-A1019 PolarHBondContact O-N 3.14Å; A1016-A1019 PolarHBondContact O-N 3.17Å; W1017-A1019 VanDerWaalsContact C-N 3.32Å; W1017-A1019 PolarHBondContact O-N 3.01Å; A1019-D1022 PolarHBondContact O-N 3.06Å; A1019-Q1023 WeakPolarHBondContact O-CB 3.27Å; A1019-Q1023 PolarHBondContact O-N 3.33Å |
| 1020 | E | 85.6 | Confident | 86.3 | Confident | 114 Ų | 114 | 103.1 Ų | 103.1 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 173.9 | -177.9 | 176.4 | -159 | 0 | 0 | 111.5 | A1016 W1017 D1022 Q1023 L1024 | A1016-E1020 PolarHBondContact O-N 3.3Å; W1017-E1020 PolarHBondContact O-N 2.86Å; E1020-D1022 PolarHBondContact O-N 2.67Å; E1020-Q1023 CarbonylContact O-C 3.52Å; E1020-Q1023 WeakPolarHBondContact O-CA 3.41Å; E1020-Q1023 WeakPolarHBondContact O-CB 3.35Å; E1020-Q1023 PolarHBondContact O-N 2.96Å; E1020-L1024 HydrophobicContact CG-CD1 4.33Å; E1020-L1024 WeakPolarHBondContact O-CG 3.48Å; E1020-L1024 PolarHBondContact O-N 2.98Å |
| 1021 | K | 87.3 | Confident | 86.4 | Confident | 79 Ų | 79 | 105.1 Ų | 105.1 | 34% | 0.343 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.5 | -43.6 | 173.8 | 174.6 | 176.2 | 161.7 | -155.6 | 0 | 112 | W1017 Q1023 L1024 L1025 | W1017-K1021 HydrophobicContact CE3-CD 4.38Å; W1017-K1021 HydrophobicContact CH2-CD 3.67Å; W1017-K1021 HydrophobicContact CZ2-CD 4.06Å; W1017-K1021 HydrophobicContact CZ3-CD 3.83Å; W1017-K1021 VanDerWaalsContact O-CB 3.26Å; W1017-K1021 WeakPolarHBondContact O-CB 3.41Å; W1017-K1021 PolarHBondContact O-N 2.95Å; K1021-Q1023 VanDerWaalsContact C-N 3.3Å; K1021-Q1023 PolarHBondContact O-N 3.26Å; K1021-L1024 PolarHBondContact O-N 2.92Å; K1021-L1025 HydrophobicContact CG-CD1 4.24Å; K1021-L1025 WeakPolarHBondContact O-CB 3.3Å; K1021-L1025 WeakPolarHBondContact O-CG 3.38Å; K1021-L1025 PolarHBondContact O-N 3.39Å |
| 1022 | D | 85.8 | Confident | 86.3 | Confident | 66 Ų | 66 | 104.5 Ų | 104.5 | 35% | 0.353 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.4 | -26.6 | 174 | -74.8 | -28.4 | 0 | 0 | 0 | 112.6 | Q1018 A1019 E1020 R1026 | Q1018-D1022 PolarHBondContact NE2-OD1 3.03Å; Q1018-D1022 PolarHBondContact NE2-OD2 3.28Å; Q1018-D1022 WeakPolarHBondContact O-CB 3.44Å; Q1018-D1022 PolarHBondContact O-N 3.01Å; A1019-D1022 PolarHBondContact O-N 3.06Å; E1020-D1022 PolarHBondContact O-N 2.67Å; D1022-R1026 WeakPolarHBondContact O-CB 3.5Å; D1022-R1026 WeakPolarHBondContact O-CG 3.41Å; D1022-R1026 PolarHBondContact O-N 3.25Å; D1022-R1026 VanDerWaalsContact O-N 3.15Å; D1022-R1026 PolarHBondContact O-NE 3.42Å |
| 1023 | Q | 89.4 | Confident | 86.2 | Confident | 130 Ų | 130 | 104.5 Ų | 104.5 | 61% | 0.607 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -73.1 | -42.5 | 171.8 | -179.3 | 176.1 | -10.8 | 0 | 0 | 111.7 | A1019 E1020 K1021 R1026 A1027 | A1019-Q1023 WeakPolarHBondContact O-CB 3.27Å; A1019-Q1023 PolarHBondContact O-N 3.33Å; E1020-Q1023 CarbonylContact O-C 3.52Å; E1020-Q1023 WeakPolarHBondContact O-CA 3.41Å; E1020-Q1023 WeakPolarHBondContact O-CB 3.35Å; E1020-Q1023 PolarHBondContact O-N 2.96Å; K1021-Q1023 VanDerWaalsContact C-N 3.3Å; K1021-Q1023 PolarHBondContact O-N 3.26Å; Q1023-R1026 PolarHBondContact O-N 3.42Å; Q1023-A1027 WeakPolarHBondContact O-CB 3.42Å; Q1023-A1027 PolarHBondContact O-N 3.38Å |
| 1024 | L | 87.1 | Confident | 86.3 | Confident | 112 Ų | 112 | 102.2 Ų | 102.2 | 59% | 0.586 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.6 | -44.4 | 174.7 | -70.4 | 171.9 | 0 | 0 | 0 | 111.3 | E1020 K1021 R1026 A1027 E1028 | E1020-L1024 HydrophobicContact CG-CD1 4.33Å; E1020-L1024 WeakPolarHBondContact O-CG 3.48Å; E1020-L1024 PolarHBondContact O-N 2.98Å; K1021-L1024 PolarHBondContact O-N 2.92Å; L1024-R1026 VanDerWaalsContact C-N 3.26Å; L1024-R1026 PolarHBondContact O-N 2.86Å; L1024-A1027 PolarHBondContact O-N 3.33Å; L1024-E1028 WeakPolarHBondContact O-CB 3.49Å; L1024-E1028 PolarHBondContact O-N 2.96Å |
| 1025 | L | 87 | Confident | 86.4 | Confident | 71 Ų | 71 | 100.3 Ų | 100.3 | 37% | 0.372 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.1 | -29.7 | 174.1 | -76.1 | 169.2 | 0 | 0 | 0 | 113 | K1021 K1029 | K1021-L1025 HydrophobicContact CG-CD1 4.24Å; K1021-L1025 WeakPolarHBondContact O-CB 3.3Å; K1021-L1025 WeakPolarHBondContact O-CG 3.38Å; K1021-L1025 PolarHBondContact O-N 3.39Å; L1025-K1029 WeakPolarHBondContact O-CB 3.41Å; L1025-K1029 WeakPolarHBondContact O-CD 3.27Å; L1025-K1029 WeakPolarHBondContact O-CG 3.42Å; L1025-K1029 PolarHBondContact O-N 3.08Å; L1025-K1029 VanDerWaalsContact O-N 3.15Å |
| 1026 | R | 85.8 | Confident | 86.3 | Confident | 146 Ų | 146 | 100 Ų | 100 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -70.4 | -53.1 | 169.8 | -84.7 | 172.3 | -77.5 | 171.6 | -2.2 | 111 | D1022 Q1023 L1024 E1028 K1029 D1030 | D1022-R1026 WeakPolarHBondContact O-CB 3.5Å; D1022-R1026 WeakPolarHBondContact O-CG 3.41Å; D1022-R1026 PolarHBondContact O-N 3.25Å; D1022-R1026 VanDerWaalsContact O-N 3.15Å; D1022-R1026 PolarHBondContact O-NE 3.42Å; Q1023-R1026 PolarHBondContact O-N 3.42Å; L1024-R1026 VanDerWaalsContact C-N 3.26Å; L1024-R1026 PolarHBondContact O-N 2.86Å; R1026-E1028 VanDerWaalsContact C-N 3.26Å; R1026-E1028 PolarHBondContact O-N 3.47Å; R1026-K1029 PolarHBondContact O-N 2.94Å; R1026-K1029 VanDerWaalsContact O-N 3.08Å; R1026-D1030 VanDerWaalsContact O-CG 3.23Å; R1026-D1030 PolarHBondContact O-N 3.06Å |
| 1027 | A | 87.1 | Confident | 86.3 | Confident | 49 Ų | 49 | 102 Ų | 102 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.3 | -34.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q1023 L1024 R1031 | Q1023-A1027 WeakPolarHBondContact O-CB 3.42Å; Q1023-A1027 PolarHBondContact O-N 3.38Å; L1024-A1027 PolarHBondContact O-N 3.33Å; A1027-R1031 WeakPolarHBondContact O-CB 3.32Å; A1027-R1031 PolarHBondContact O-N 2.86Å |
| 1028 | E | 85.9 | Confident | 86.3 | Confident | 95 Ų | 95 | 99.7 Ų | 99.7 | 44% | 0.444 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -73 | -41 | 174.4 | -176.2 | 167.3 | -132.4 | 0 | 0 | 112.2 | L1024 R1026 D1030 R1031 F1032 | L1024-E1028 WeakPolarHBondContact O-CB 3.49Å; L1024-E1028 PolarHBondContact O-N 2.96Å; R1026-E1028 VanDerWaalsContact C-N 3.26Å; R1026-E1028 PolarHBondContact O-N 3.47Å; E1028-D1030 VanDerWaalsContact C-N 3.34Å; E1028-D1030 PolarHBondContact O-N 3.33Å; E1028-R1031 CarbonylContact O-C 3.59Å; E1028-R1031 WeakPolarHBondContact O-CB 3.45Å; E1028-R1031 PolarHBondContact O-N 3.39Å; E1028-R1031 VanDerWaalsContact O-N 3.13Å; E1028-F1032 HydrophobicContact CG-CD2 3.75Å; E1028-F1032 HydrophobicContact CG-CE2 3.51Å; E1028-F1032 VanDerWaalsContact O-CD2 3.27Å; E1028-F1032 WeakPolarHBondContact O-CD2 3.43Å; E1028-F1032 PolarHBondContact O-N 2.99Å |
| 1029 | K | 86.3 | Confident | 86.4 | Confident | 131 Ų | 131 | 102.3 Ų | 102.3 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.7 | -42.3 | 170.3 | -76.5 | 169.4 | -175.6 | 174.2 | 0 | 111.7 | L1025 R1026 R1031 F1032 L1033 | L1025-K1029 WeakPolarHBondContact O-CB 3.41Å; L1025-K1029 WeakPolarHBondContact O-CD 3.27Å; L1025-K1029 WeakPolarHBondContact O-CG 3.42Å; L1025-K1029 PolarHBondContact O-N 3.08Å; L1025-K1029 VanDerWaalsContact O-N 3.15Å; R1026-K1029 PolarHBondContact O-N 2.94Å; R1026-K1029 VanDerWaalsContact O-N 3.08Å; K1029-R1031 PolarHBondContact O-N 3.38Å; K1029-F1032 PolarHBondContact O-N 3.12Å; K1029-L1033 WeakPolarHBondContact O-CB 3.39Å; K1029-L1033 WeakPolarHBondContact O-CG 3.34Å; K1029-L1033 PolarHBondContact O-N 3.33Å |
| 1030 | D | 86.4 | Confident | 86.4 | Confident | 81 Ų | 81 | 102.6 Ų | 102.6 | 43% | 0.433 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.5 | -28.2 | 175.1 | -64.2 | -25.1 | 0 | 0 | 0 | 112.3 | R1026 E1028 R1034 | R1026-D1030 VanDerWaalsContact O-CG 3.23Å; R1026-D1030 PolarHBondContact O-N 3.06Å; E1028-D1030 VanDerWaalsContact C-N 3.34Å; E1028-D1030 PolarHBondContact O-N 3.33Å; D1030-R1034 WeakPolarHBondContact O-CB 3.36Å; D1030-R1034 WeakPolarHBondContact O-CG 3.42Å; D1030-R1034 PolarHBondContact O-N 2.89Å; D1030-R1034 PolarHBondContact O-NE 2.92Å |
| 1031 | R | 87.6 | Confident | 86.5 | Confident | 158 Ų | 158 | 101.7 Ų | 101.7 | 60% | 0.596 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -75.3 | -43.7 | 172.5 | -175.5 | -175.8 | 177.8 | -149.6 | 0.7 | 111.2 | A1027 E1028 K1029 R1034 L1035 | A1027-R1031 WeakPolarHBondContact O-CB 3.32Å; A1027-R1031 PolarHBondContact O-N 2.86Å; E1028-R1031 CarbonylContact O-C 3.59Å; E1028-R1031 WeakPolarHBondContact O-CB 3.45Å; E1028-R1031 PolarHBondContact O-N 3.39Å; E1028-R1031 VanDerWaalsContact O-N 3.13Å; K1029-R1031 PolarHBondContact O-N 3.38Å; R1031-R1034 PolarHBondContact O-N 3.32Å; R1031-L1035 HydrophobicContact CG-CD1 4.27Å; R1031-L1035 WeakPolarHBondContact O-CG 3.34Å; R1031-L1035 PolarHBondContact O-N 3.07Å |
| 1032 | F | 84.1 | Confident | 86.5 | Confident | 123 Ų | 123 | 102 Ų | 102 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 174.7 | -80.2 | -61.5 | 0 | 0 | 0 | 112.2 | E1028 K1029 R1034 L1035 E1036 | E1028-F1032 HydrophobicContact CG-CD2 3.75Å; E1028-F1032 HydrophobicContact CG-CE2 3.51Å; E1028-F1032 VanDerWaalsContact O-CD2 3.27Å; E1028-F1032 WeakPolarHBondContact O-CD2 3.43Å; E1028-F1032 PolarHBondContact O-N 2.99Å; K1029-F1032 PolarHBondContact O-N 3.12Å; F1032-R1034 VanDerWaalsContact C-N 3.35Å; F1032-R1034 PolarHBondContact O-N 3.04Å; F1032-L1035 PolarHBondContact O-N 3.39Å; F1032-E1036 WeakPolarHBondContact O-CB 3.47Å; F1032-E1036 PolarHBondContact O-N 3.33Å |
| 1033 | L | 84.1 | Confident | 86.6 | Confident | 104 Ų | 104 | 105.3 Ų | 105.3 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.1 | -35.6 | 175.1 | -72.5 | 168 | 0 | 0 | 0 | 112.5 | K1029 K1037 | K1029-L1033 WeakPolarHBondContact O-CB 3.39Å; K1029-L1033 WeakPolarHBondContact O-CG 3.34Å; K1029-L1033 PolarHBondContact O-N 3.33Å; L1033-K1037 WeakPolarHBondContact O-CB 3.34Å; L1033-K1037 PolarHBondContact O-N 3.21Å |
| 1034 | R | 86.3 | Confident | 86.6 | Confident | 144 Ų | 144 | 104.5 Ų | 104.5 | 54% | 0.543 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.9 | -48.8 | 170.8 | -84.8 | 175.9 | -80 | -175.3 | -5.9 | 111.8 | D1030 R1031 F1032 E1036 K1037 E1038 | D1030-R1034 WeakPolarHBondContact O-CB 3.36Å; D1030-R1034 WeakPolarHBondContact O-CG 3.42Å; D1030-R1034 PolarHBondContact O-N 2.89Å; D1030-R1034 PolarHBondContact O-NE 2.92Å; R1031-R1034 PolarHBondContact O-N 3.32Å; F1032-R1034 VanDerWaalsContact C-N 3.35Å; F1032-R1034 PolarHBondContact O-N 3.04Å; R1034-E1036 PolarHBondContact O-N 2.79Å; R1034-K1037 WeakPolarHBondContact O-CB 3.4Å; R1034-K1037 PolarHBondContact O-N 3.01Å; R1034-E1038 WeakPolarHBondContact O-CG 3.33Å; R1034-E1038 PolarHBondContact O-N 2.84Å |
| 1035 | L | 86.9 | Confident | 86.7 | Confident | 59 Ų | 59 | 105.6 Ų | 105.6 | 31% | 0.309 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.7 | -40 | 176.6 | -71.5 | 168.7 | 0 | 0 | 0 | 112.3 | R1031 F1032 E1038 F1039 | R1031-L1035 HydrophobicContact CG-CD1 4.27Å; R1031-L1035 WeakPolarHBondContact O-CG 3.34Å; R1031-L1035 PolarHBondContact O-N 3.07Å; F1032-L1035 PolarHBondContact O-N 3.39Å; L1035-E1038 PolarHBondContact O-N 3.47Å; L1035-F1039 HydrophobicContact CB-CE2 4.5Å; L1035-F1039 WeakPolarHBondContact O-CB 3.46Å; L1035-F1039 WeakPolarHBondContact O-CD2 3.38Å; L1035-F1039 PolarHBondContact O-N 3.08Å |
| 1036 | E | 85 | Confident | 86.8 | Confident | 122 Ų | 122 | 106.9 Ų | 106.9 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.9 | -41.7 | 175.7 | -177.1 | 169.1 | -145.5 | 0 | 0 | 111.7 | F1032 R1034 F1039 E1040 | F1032-E1036 WeakPolarHBondContact O-CB 3.47Å; F1032-E1036 PolarHBondContact O-N 3.33Å; R1034-E1036 PolarHBondContact O-N 2.79Å; E1036-F1039 PolarHBondContact O-N 3.09Å; E1036-E1040 PolarHBondContact O-N 3.43Å |
| 1037 | K | 85.6 | Confident | 87 | Confident | 101 Ų | 101 | 105.2 Ų | 105.2 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 172.6 | -173.9 | -176.5 | 175.9 | -170.1 | 0 | 111.6 | L1033 R1034 E1040 M1041 | L1033-K1037 WeakPolarHBondContact O-CB 3.34Å; L1033-K1037 PolarHBondContact O-N 3.21Å; R1034-K1037 WeakPolarHBondContact O-CB 3.4Å; R1034-K1037 PolarHBondContact O-N 3.01Å; K1037-E1040 PolarHBondContact O-N 3.47Å; K1037-M1041 WeakPolarHBondContact O-CG 3.4Å; K1037-M1041 PolarHBondContact O-N 3.27Å |
| 1038 | E | 87.6 | Confident | 87.2 | Confident | 91 Ų | 91 | 105.7 Ų | 105.7 | 43% | 0.425 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 175.4 | -73.6 | 165.4 | -155.8 | 0 | 0 | 111.7 | R1034 L1035 E1040 M1041 V1042 | R1034-E1038 WeakPolarHBondContact O-CG 3.33Å; R1034-E1038 PolarHBondContact O-N 2.84Å; L1035-E1038 PolarHBondContact O-N 3.47Å; E1038-E1040 VanDerWaalsContact C-N 3.35Å; E1038-E1040 PolarHBondContact O-N 3.5Å; E1038-M1041 HydrophobicContact CG-CE 4.17Å; E1038-M1041 PolarHBondContact O-N 2.8Å; E1038-V1042 WeakPolarHBondContact O-CG2 3.45Å; E1038-V1042 PolarHBondContact O-N 3.3Å |
| 1039 | F | 86.5 | Confident | 87.3 | Confident | 121 Ų | 121 | 107.1 Ų | 107.1 | 53% | 0.531 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -36.5 | 174.7 | -78.8 | -58.7 | 0 | 0 | 0 | 112.9 | L1035 E1036 R1043 | L1035-F1039 HydrophobicContact CB-CE2 4.5Å; L1035-F1039 WeakPolarHBondContact O-CB 3.46Å; L1035-F1039 WeakPolarHBondContact O-CD2 3.38Å; L1035-F1039 PolarHBondContact O-N 3.08Å; E1036-F1039 PolarHBondContact O-N 3.09Å; F1039-R1043 WeakPolarHBondContact O-CG 3.24Å; F1039-R1043 PolarHBondContact O-N 3.48Å |
| 1040 | E | 87.3 | Confident | 87.4 | Confident | 58 Ų | 58 | 106 Ų | 106 | 27% | 0.271 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.7 | -33.7 | 175.2 | -172.2 | 55.1 | -140.7 | 0 | 0 | 112.5 | E1036 K1037 E1038 R1043 Q1044 K1047 | E1036-E1040 PolarHBondContact O-N 3.43Å; K1037-E1040 PolarHBondContact O-N 3.47Å; E1038-E1040 VanDerWaalsContact C-N 3.35Å; E1038-E1040 PolarHBondContact O-N 3.5Å; E1040-R1043 PolarHBondContact O-N 2.89Å; E1040-R1043 WeakPolarHBondContact OE2-CD 3.38Å; E1040-R1043 IonicContact OE2-CZ 3.78Å; E1040-R1043 IonicContact OE2-NE 3.94Å; E1040-R1043 IonicContact OE2-NH1 2.64Å; E1040-R1043 PolarHBondContact OE2-NH1 2.74Å; E1040-Q1044 VanDerWaalsContact O-CG 3.31Å; E1040-Q1044 WeakPolarHBondContact O-CG 3.34Å; E1040-Q1044 PolarHBondContact O-N 2.87Å; E1040-Q1044 PolarHBondContact OE1-NE2 2.74Å; E1040-K1047 IonicContact OE1-NZ 2.78Å |
| 1041 | M | 87.2 | Confident | 87.7 | Confident | 94 Ų | 94 | 107.5 Ų | 107.5 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 168.4 | -70.4 | -169.4 | -54.1 | 0 | 0 | 111.1 | K1037 E1038 R1043 Q1044 E1045 | K1037-M1041 WeakPolarHBondContact O-CG 3.4Å; K1037-M1041 PolarHBondContact O-N 3.27Å; E1038-M1041 HydrophobicContact CG-CE 4.17Å; E1038-M1041 PolarHBondContact O-N 2.8Å; M1041-R1043 VanDerWaalsContact C-N 3.32Å; M1041-R1043 PolarHBondContact O-N 2.91Å; M1041-Q1044 CarbonylContact O-C 3.56Å; M1041-Q1044 WeakPolarHBondContact O-CA 3.43Å; M1041-Q1044 PolarHBondContact O-N 3.34Å; M1041-E1045 PolarHBondContact O-N 2.95Å |
| 1042 | V | 88.6 | Confident | 87.9 | Confident | 85 Ų | 85 | 105.9 Ų | 105.9 | 52% | 0.515 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -37.4 | 176.6 | 171.5 | 0 | 0 | 0 | 0 | 111.8 | E1038 Q1044 L1046 | E1038-V1042 WeakPolarHBondContact O-CG2 3.45Å; E1038-V1042 PolarHBondContact O-N 3.3Å; V1042-Q1044 VanDerWaalsContact C-N 3.33Å; V1042-Q1044 PolarHBondContact O-N 2.85Å; V1042-L1046 VanDerWaalsContact O-CB 3.26Å; V1042-L1046 WeakPolarHBondContact O-CB 3.47Å; V1042-L1046 PolarHBondContact O-N 3.4Å |
| 1043 | R | 87.1 | Confident | 88.2 | Confident | 137 Ų | 137 | 105.9 Ų | 105.9 | 52% | 0.517 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -38 | 170.9 | -75.5 | 168.4 | -175 | 157.7 | 6.3 | 112.3 | F1039 E1040 M1041 K1047 | F1039-R1043 WeakPolarHBondContact O-CG 3.24Å; F1039-R1043 PolarHBondContact O-N 3.48Å; E1040-R1043 PolarHBondContact O-N 2.89Å; E1040-R1043 WeakPolarHBondContact OE2-CD 3.38Å; E1040-R1043 IonicContact OE2-CZ 3.78Å; E1040-R1043 IonicContact OE2-NE 3.94Å; E1040-R1043 IonicContact OE2-NH1 2.64Å; E1040-R1043 PolarHBondContact OE2-NH1 2.74Å; M1041-R1043 VanDerWaalsContact C-N 3.32Å; M1041-R1043 PolarHBondContact O-N 2.91Å; R1043-K1047 WeakPolarHBondContact O-CB 3.07Å; R1043-K1047 WeakPolarHBondContact O-CD 3.49Å; R1043-K1047 WeakPolarHBondContact O-CG 3.48Å; R1043-K1047 PolarHBondContact O-N 2.83Å |
| 1044 | Q | 89.7 | Confident | 88.6 | Confident | 112 Ų | 112 | 106.5 Ų | 106.5 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.1 | -39.9 | 179.4 | -71.8 | 174.9 | 27.3 | 0 | 0 | 112 | E1040 M1041 V1042 K1047 A1048 | E1040-Q1044 VanDerWaalsContact O-CG 3.31Å; E1040-Q1044 WeakPolarHBondContact O-CG 3.34Å; E1040-Q1044 PolarHBondContact O-N 2.87Å; E1040-Q1044 PolarHBondContact OE1-NE2 2.74Å; M1041-Q1044 CarbonylContact O-C 3.56Å; M1041-Q1044 WeakPolarHBondContact O-CA 3.43Å; M1041-Q1044 PolarHBondContact O-N 3.34Å; V1042-Q1044 VanDerWaalsContact C-N 3.33Å; V1042-Q1044 PolarHBondContact O-N 2.85Å; Q1044-K1047 PolarHBondContact O-N 3.1Å; Q1044-A1048 WeakPolarHBondContact O-CB 3.44Å; Q1044-A1048 PolarHBondContact O-N 3.28Å |
| 1045 | E | 88.7 | Confident | 88.8 | Confident | 135 Ų | 135 | 106.8 Ų | 106.8 | 63% | 0.631 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.8 | -41.8 | 171.1 | -67.9 | -161.6 | 138.6 | 0 | 0 | 112 | M1041 A1048 M1049 | M1041-E1045 PolarHBondContact O-N 2.95Å; E1045-A1048 PolarHBondContact O-N 2.87Å; E1045-M1049 WeakPolarHBondContact O-CB 3.28Å; E1045-M1049 PolarHBondContact O-N 2.79Å |
| 1046 | L | 89.6 | Confident | 89 | Confident | 98 Ų | 98 | 108.3 Ų | 108.3 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 175.4 | -176 | 62.5 | 0 | 0 | 0 | 111.8 | V1042 A1048 M1049 M1050 | V1042-L1046 VanDerWaalsContact O-CB 3.26Å; V1042-L1046 WeakPolarHBondContact O-CB 3.47Å; V1042-L1046 PolarHBondContact O-N 3.4Å; L1046-A1048 VanDerWaalsContact C-N 3.34Å; L1046-A1048 PolarHBondContact O-N 3.15Å; L1046-M1049 PolarHBondContact O-N 2.9Å; L1046-M1050 WeakPolarHBondContact O-CB 3.38Å; L1046-M1050 WeakPolarHBondContact O-CG 3.39Å; L1046-M1050 PolarHBondContact O-N 3.24Å |
| 1047 | K | 90.3 | Very high | 89.4 | Confident | 112 Ų | 112 | 108.4 Ų | 108.4 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.3 | -45 | 172 | -73.7 | 162.4 | -172.5 | 166.4 | 0 | 111.2 | E1040 R1043 Q1044 M1050 I1051 | E1040-K1047 IonicContact OE1-NZ 2.78Å; R1043-K1047 WeakPolarHBondContact O-CB 3.07Å; R1043-K1047 WeakPolarHBondContact O-CD 3.49Å; R1043-K1047 WeakPolarHBondContact O-CG 3.48Å; R1043-K1047 PolarHBondContact O-N 2.83Å; Q1044-K1047 PolarHBondContact O-N 3.1Å; K1047-M1050 PolarHBondContact O-N 3.41Å; K1047-I1051 WeakPolarHBondContact O-CD1 3.32Å; K1047-I1051 VanDerWaalsContact O-CG1 3.28Å; K1047-I1051 WeakPolarHBondContact O-CG1 3.46Å; K1047-I1051 PolarHBondContact O-N 3.07Å |
| 1048 | A | 91 | Very high | 89.6 | Confident | 58 Ų | 58 | 106.3 Ų | 106.3 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.9 | -38.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1044 E1045 L1046 I1051 K1052 | Q1044-A1048 WeakPolarHBondContact O-CB 3.44Å; Q1044-A1048 PolarHBondContact O-N 3.28Å; E1045-A1048 PolarHBondContact O-N 2.87Å; L1046-A1048 VanDerWaalsContact C-N 3.34Å; L1046-A1048 PolarHBondContact O-N 3.15Å; A1048-I1051 PolarHBondContact O-N 2.69Å; A1048-K1052 WeakPolarHBondContact O-CB 3.43Å; A1048-K1052 PolarHBondContact O-N 2.71Å |
| 1049 | M | 88.2 | Confident | 89.8 | Confident | 125 Ų | 125 | 106.3 Ų | 106.3 | 62% | 0.616 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.2 | -41.2 | 175.3 | -168.5 | -172.6 | -61.3 | 0 | 0 | 111.6 | E1045 L1046 K1052 H1053 | E1045-M1049 WeakPolarHBondContact O-CB 3.28Å; E1045-M1049 PolarHBondContact O-N 2.79Å; L1046-M1049 PolarHBondContact O-N 2.9Å; M1049-K1052 PolarHBondContact O-N 2.64Å; M1049-H1053 WeakPolarHBondContact O-CB 3.21Å; M1049-H1053 PolarHBondContact O-N 3.1Å |
| 1050 | M | 88.4 | Confident | 89.9 | Confident | 107 Ų | 107 | 105.8 Ų | 105.8 | 53% | 0.527 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.8 | -49.4 | 172.6 | -74.4 | -179 | 67 | 0 | 0 | 111.3 | L1046 K1047 K1052 H1053 E1054 | L1046-M1050 WeakPolarHBondContact O-CB 3.38Å; L1046-M1050 WeakPolarHBondContact O-CG 3.39Å; L1046-M1050 PolarHBondContact O-N 3.24Å; K1047-M1050 PolarHBondContact O-N 3.41Å; M1050-K1052 VanDerWaalsContact C-N 3.29Å; M1050-K1052 PolarHBondContact O-N 2.86Å; M1050-H1053 PolarHBondContact O-N 2.75Å; M1050-H1053 VanDerWaalsContact O-N 3.15Å; M1050-E1054 WeakPolarHBondContact O-CB 3.33Å; M1050-E1054 WeakPolarHBondContact O-CG 3.4Å; M1050-E1054 PolarHBondContact O-N 3.39Å |
| 1051 | I | 90.9 | Very high | 90 | Very high | 113 Ų | 113 | 107 Ų | 107 | 58% | 0.579 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.5 | -38.9 | 177.2 | -68.9 | 164.1 | 0 | 0 | 0 | 111.3 | K1047 A1048 K1055 | K1047-I1051 WeakPolarHBondContact O-CD1 3.32Å; K1047-I1051 VanDerWaalsContact O-CG1 3.28Å; K1047-I1051 WeakPolarHBondContact O-CG1 3.46Å; K1047-I1051 PolarHBondContact O-N 3.07Å; A1048-I1051 PolarHBondContact O-N 2.69Å; I1051-K1055 WeakPolarHBondContact O-CB 3.4Å; I1051-K1055 PolarHBondContact O-N 3.17Å |
| 1052 | K | 93 | Very high | 89.9 | Confident | 124 Ų | 124 | 104.3 Ų | 104.3 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -49.4 | 173.4 | -179.4 | -172.8 | 165.5 | -171.9 | 0 | 111.2 | A1048 M1049 M1050 E1054 K1055 E1056 | A1048-K1052 WeakPolarHBondContact O-CB 3.43Å; A1048-K1052 PolarHBondContact O-N 2.71Å; M1049-K1052 PolarHBondContact O-N 2.64Å; M1050-K1052 VanDerWaalsContact C-N 3.29Å; M1050-K1052 PolarHBondContact O-N 2.86Å; K1052-E1054 PolarHBondContact O-N 3.2Å; K1052-K1055 WeakPolarHBondContact O-CB 3.4Å; K1052-K1055 PolarHBondContact O-N 3.47Å; K1052-E1056 VanDerWaalsContact CE-CD 3.44Å; K1052-E1056 WeakPolarHBondContact CE-OE1 3.34Å; K1052-E1056 IonicContact NZ-OE1 3Å; K1052-E1056 WeakPolarHBondContact O-CG 3.37Å; K1052-E1056 PolarHBondContact O-N 3.28Å |
| 1053 | H | 90.5 | Very high | 89.8 | Confident | 123 Ų | 123 | 107.8 Ų | 107.8 | 57% | 0.569 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.6 | -36.2 | -179.2 | -178.2 | -105.9 | 0 | 0 | 0 | 112.4 | M1049 M1050 E1056 K1057 | M1049-H1053 WeakPolarHBondContact O-CB 3.21Å; M1049-H1053 PolarHBondContact O-N 3.1Å; M1050-H1053 PolarHBondContact O-N 2.75Å; M1050-H1053 VanDerWaalsContact O-N 3.15Å; H1053-E1056 PolarHBondContact O-N 3.08Å; H1053-K1057 WeakPolarHBondContact O-CB 3.16Å; H1053-K1057 PolarHBondContact O-N 2.93Å |
| 1054 | E | 91.3 | Very high | 89.6 | Confident | 118 Ų | 118 | 106.4 Ų | 106.4 | 55% | 0.551 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.2 | -40.2 | 171.5 | -74.3 | -179.2 | 161.5 | 0 | 0 | 111.9 | M1050 K1052 A1058 | M1050-E1054 WeakPolarHBondContact O-CB 3.33Å; M1050-E1054 WeakPolarHBondContact O-CG 3.4Å; M1050-E1054 PolarHBondContact O-N 3.39Å; K1052-E1054 PolarHBondContact O-N 3.2Å; E1054-A1058 VanDerWaalsContact O-CB 3.28Å; E1054-A1058 WeakPolarHBondContact O-CB 3.48Å; E1054-A1058 PolarHBondContact O-N 3.15Å |
| 1055 | K | 92.1 | Very high | 89.1 | Confident | 150 Ų | 150 | 105.9 Ų | 105.9 | 65% | 0.652 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.9 | -43.3 | 174 | -176 | -176.6 | 176.3 | -173.5 | 0 | 112.3 | I1051 K1052 A1058 E1059 | I1051-K1055 WeakPolarHBondContact O-CB 3.4Å; I1051-K1055 PolarHBondContact O-N 3.17Å; K1052-K1055 WeakPolarHBondContact O-CB 3.4Å; K1052-K1055 PolarHBondContact O-N 3.47Å; K1055-A1058 PolarHBondContact O-N 2.85Å; K1055-E1059 PolarHBondContact O-N 3.09Å |
| 1056 | E | 91.2 | Very high | 88.6 | Confident | 90 Ų | 90 | 107.1 Ų | 107.1 | 42% | 0.421 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 176.9 | -73.9 | 172.9 | 164 | 0 | 0 | 111.2 | K1052 H1053 E1059 L1060 | K1052-E1056 VanDerWaalsContact CE-CD 3.44Å; K1052-E1056 WeakPolarHBondContact CE-OE1 3.34Å; K1052-E1056 IonicContact NZ-OE1 3Å; K1052-E1056 WeakPolarHBondContact O-CG 3.37Å; K1052-E1056 PolarHBondContact O-N 3.28Å; H1053-E1056 PolarHBondContact O-N 3.08Å; E1056-E1059 PolarHBondContact O-N 3.13Å; E1056-L1060 WeakPolarHBondContact O-CB 3.41Å; E1056-L1060 VanDerWaalsContact O-CG 3.32Å; E1056-L1060 WeakPolarHBondContact O-CG 3.44Å; E1056-L1060 PolarHBondContact O-N 2.91Å |
| 1057 | K | 92 | Very high | 87.4 | Confident | 125 Ų | 125 | 104.8 Ų | 104.8 | 54% | 0.543 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 170.7 | -178.9 | -179.5 | 177.8 | -176.5 | 0 | 111.9 | H1053 E1059 L1060 I1061 | H1053-K1057 WeakPolarHBondContact O-CB 3.16Å; H1053-K1057 PolarHBondContact O-N 2.93Å; K1057-E1059 VanDerWaalsContact C-N 3.35Å; K1057-L1060 PolarHBondContact O-N 3Å; K1057-I1061 HydrophobicContact CG-CD1 4.09Å; K1057-I1061 VanDerWaalsContact O-CG1 3.29Å; K1057-I1061 WeakPolarHBondContact O-CG1 2.84Å; K1057-I1061 PolarHBondContact O-N 3.03Å |
| 1058 | A | 90.8 | Very high | 85.9 | Confident | 57 Ų | 57 | 105.6 Ų | 105.6 | 47% | 0.471 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1054 K1055 A1062 | E1054-A1058 VanDerWaalsContact O-CB 3.28Å; E1054-A1058 WeakPolarHBondContact O-CB 3.48Å; E1054-A1058 PolarHBondContact O-N 3.15Å; K1055-A1058 PolarHBondContact O-N 2.85Å; A1058-A1062 VanDerWaalsContact O-CB 3.29Å; A1058-A1062 WeakPolarHBondContact O-CB 3.39Å; A1058-A1062 PolarHBondContact O-N 3.14Å |
| 1059 | E | 91.9 | Very high | 84.2 | Confident | 91 Ų | 91 | 108.3 Ų | 108.3 | 43% | 0.425 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.7 | -39.1 | 174.3 | -164.2 | -179.1 | 152.9 | 0 | 0 | 112.1 | K1055 E1056 K1057 A1062 R1063 | K1055-E1059 PolarHBondContact O-N 3.09Å; E1056-E1059 PolarHBondContact O-N 3.13Å; K1057-E1059 VanDerWaalsContact C-N 3.35Å; E1059-A1062 CarbonylContact O-C 3.57Å; E1059-A1062 PolarHBondContact O-N 2.94Å; E1059-R1063 HydrophobicContact CG-CG 4.49Å; E1059-R1063 WeakPolarHBondContact O-CB 3.33Å; E1059-R1063 VanDerWaalsContact O-CG 3.24Å; E1059-R1063 WeakPolarHBondContact O-CG 3.47Å; E1059-R1063 PolarHBondContact O-N 3.22Å; E1059-R1063 IonicContact OE1-CZ 3.9Å; E1059-R1063 IonicContact OE1-NE 2.89Å; E1059-R1063 PolarHBondContact OE1-NE 3.38Å; E1059-R1063 IonicContact OE1-NH2 2.66Å; E1059-R1063 PolarHBondContact OE1-NH2 3.18Å |
| 1060 | L | 88.8 | Confident | 82.5 | Confident | 110 Ų | 110 | 108.7 Ų | 108.7 | 58% | 0.576 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.3 | -42.2 | 174.3 | -74.3 | 170.2 | 0 | 0 | 0 | 112 | E1056 K1057 R1063 L1064 | E1056-L1060 WeakPolarHBondContact O-CB 3.41Å; E1056-L1060 VanDerWaalsContact O-CG 3.32Å; E1056-L1060 WeakPolarHBondContact O-CG 3.44Å; E1056-L1060 PolarHBondContact O-N 2.91Å; K1057-L1060 PolarHBondContact O-N 3Å; L1060-R1063 PolarHBondContact O-N 2.81Å; L1060-L1064 PolarHBondContact O-N 2.96Å |
| 1061 | I | 88.1 | Confident | 80.7 | Confident | 83 Ų | 83 | 106.8 Ų | 106.8 | 43% | 0.426 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.5 | -50.5 | 171.7 | -68.6 | 164.5 | 0 | 0 | 0 | 109.9 | K1057 R1063 L1064 D1065 | K1057-I1061 HydrophobicContact CG-CD1 4.09Å; K1057-I1061 VanDerWaalsContact O-CG1 3.29Å; K1057-I1061 WeakPolarHBondContact O-CG1 2.84Å; K1057-I1061 PolarHBondContact O-N 3.03Å; I1061-R1063 PolarHBondContact O-N 2.89Å; I1061-R1063 VanDerWaalsContact O-N 3.14Å; I1061-L1064 WeakPolarHBondContact O-CB 3.32Å; I1061-L1064 PolarHBondContact O-N 2.95Å; I1061-L1064 VanDerWaalsContact O-N 3.07Å; I1061-D1065 PolarHBondContact O-N 2.87Å |
| 1062 | A | 86.4 | Confident | 78.7 | Confident | 38 Ų | 38 | 106.9 Ų | 106.9 | 31% | 0.314 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.5 | -16.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A1058 E1059 K1066 | A1058-A1062 VanDerWaalsContact O-CB 3.29Å; A1058-A1062 WeakPolarHBondContact O-CB 3.39Å; A1058-A1062 PolarHBondContact O-N 3.14Å; E1059-A1062 CarbonylContact O-C 3.57Å; E1059-A1062 PolarHBondContact O-N 2.94Å; A1062-K1066 VanDerWaalsContact O-CD 3.24Å; A1062-K1066 WeakPolarHBondContact O-CD 3.36Å; A1062-K1066 VanDerWaalsContact O-CG 3.23Å; A1062-K1066 WeakPolarHBondContact O-CG 3.35Å |
| 1063 | R | 86.3 | Confident | 76.1 | Confident | 157 Ų | 157 | 105.1 Ų | 105.1 | 59% | 0.592 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -85.4 | -40.2 | 170.2 | -74.9 | 171.3 | 180 | -145 | 7.1 | 111.5 | E1059 L1060 I1061 K1066 G1067 | E1059-R1063 HydrophobicContact CG-CG 4.49Å; E1059-R1063 WeakPolarHBondContact O-CB 3.33Å; E1059-R1063 VanDerWaalsContact O-CG 3.24Å; E1059-R1063 WeakPolarHBondContact O-CG 3.47Å; E1059-R1063 PolarHBondContact O-N 3.22Å; E1059-R1063 IonicContact OE1-CZ 3.9Å; E1059-R1063 IonicContact OE1-NE 2.89Å; E1059-R1063 PolarHBondContact OE1-NE 3.38Å; E1059-R1063 IonicContact OE1-NH2 2.66Å; E1059-R1063 PolarHBondContact OE1-NH2 3.18Å; L1060-R1063 PolarHBondContact O-N 2.81Å; I1061-R1063 PolarHBondContact O-N 2.89Å; I1061-R1063 VanDerWaalsContact O-N 3.14Å; R1063-K1066 PolarHBondContact O-N 3.39Å; R1063-G1067 PolarHBondContact O-N 2.95Å |
| 1064 | L | 82.4 | Confident | 73.7 | Confident | 108 Ų | 108 | 104.3 Ų | 104.3 | 57% | 0.565 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.6 | -46.5 | 173 | -84.3 | 160.1 | 0 | 0 | 0 | 111.7 | L1060 I1061 K1066 G1067 N1068 | L1060-L1064 PolarHBondContact O-N 2.96Å; I1061-L1064 WeakPolarHBondContact O-CB 3.32Å; I1061-L1064 PolarHBondContact O-N 2.95Å; I1061-L1064 VanDerWaalsContact O-N 3.07Å; L1064-K1066 PolarHBondContact O-N 3.08Å; L1064-G1067 PolarHBondContact O-N 2.95Å; L1064-N1068 PolarHBondContact O-N 2.94Å |
| 1065 | D | 80.2 | Confident | 71.5 | Confident | 102 Ų | 102 | 109.8 Ų | 109.8 | 55% | 0.545 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.4 | -33.5 | 176.4 | -69.1 | -23.2 | 0 | 0 | 0 | 112.1 | I1061 V1069 | I1061-D1065 PolarHBondContact O-N 2.87Å; D1065-V1069 WeakPolarHBondContact O-CG2 3.49Å |
| 1066 | K | 76.4 | Confident | 69.1 | Low | 160 Ų | 160 | 108.6 Ų | 108.6 | 70% | 0.696 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -76.8 | -29.1 | 173.8 | -74 | 172.8 | -171.3 | 168.2 | 0 | 113.2 | A1062 R1063 L1064 | A1062-K1066 VanDerWaalsContact O-CD 3.24Å; A1062-K1066 WeakPolarHBondContact O-CD 3.36Å; A1062-K1066 VanDerWaalsContact O-CG 3.23Å; A1062-K1066 WeakPolarHBondContact O-CG 3.35Å; R1063-K1066 PolarHBondContact O-N 3.39Å; L1064-K1066 PolarHBondContact O-N 3.08Å |
| 1067 | G | 65.4 | Low | 67 | Low | 50 Ų | 50 | 112.8 Ų | 112.8 | 52% | 0.515 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -71.7 | -44.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1063 L1064 V1069 | R1063-G1067 PolarHBondContact O-N 2.95Å; L1064-G1067 PolarHBondContact O-N 2.95Å; G1067-V1069 VanDerWaalsContact C-N 3.3Å; G1067-V1069 PolarHBondContact O-N 3.29Å |
| 1068 | N | 59.1 | Low | 64.7 | Low | 128 Ų | 128 | 115 Ų | 115 | 68% | 0.684 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -74.7 | -12.5 | -173.5 | -76.5 | -17.6 | 0 | 0 | 0 | 114.9 | L1064 | L1064-N1068 PolarHBondContact O-N 2.94Å |
| 1069 | V | 54 | Low | 62.3 | Low | 116 Ų | 116 | 122.5 Ų | 122.5 | 70% | 0.703 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 6.8 | -173.3 | 176.7 | 0 | 0 | 0 | 0 | 113.4 | D1065 G1067 | D1065-V1069 WeakPolarHBondContact O-CG2 3.49Å; G1067-V1069 VanDerWaalsContact C-N 3.3Å; G1067-V1069 PolarHBondContact O-N 3.29Å |
| 1070 | V | 54.2 | Low | 59.8 | Low | 132 Ų | 132 | 123.9 Ų | 123.9 | 80% | 0.8 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -9.9 | 173.3 | -174.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1071 | A | 50.3 | Low | 57.4 | Low | 68 Ų | 68 | 125.1 Ų | 125.1 | 56% | 0.562 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -86.4 | 140.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 1072 | S | 47.8 | Very low | 55.1 | Low | 114 Ų | 114 | 126.6 Ų | 126.6 | 80% | 0.797 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 50.7 | 78.7 | 179.5 | 47.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1073 | A | 39.3 | Very low | 53.1 | Low | 88 Ų | 88 | 131.2 Ų | 131.2 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | 70.6 | 101.6 | 81.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 1074 | S | 40.1 | Very low | 51.4 | Low | 105 Ų | 105 | 129.2 Ų | 129.2 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | 77.9 | 127.3 | 136.7 | -54 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1075 | R | 45.4 | Very low | 49.8 | Very low | 234 Ų | 234 | 130 Ų | 130 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | trans | 75 | 145.9 | 160.7 | -54.4 | 170.6 | -170.8 | -170 | 3 | 115.7 | ||||
| 1076 | T | 41.9 | Very low | 47.8 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | cis | -157.9 | 130.4 | -16.2 | 14.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1077 | M | 46.3 | Very low | 46.8 | Very low | 177 Ų | 177 | 132 Ų | 132 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | 44.3 | 153.9 | 131.6 | -135.8 | 164.6 | -172.6 | 0 | 0 | 123.2 | ||||
| 1078 | E | 43.9 | Very low | 45.5 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | 79.1 | 148.9 | 172.2 | -52.1 | -158.1 | 145.8 | 0 | 0 | 117.2 | ||||
| 1079 | R | 39.6 | Very low | 44.8 | Very low | 216 Ų | 216 | 134.2 Ų | 134.2 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | cis | 159.4 | 110.1 | -35.4 | 166 | -170.4 | 179.3 | -172.8 | 1.2 | 107.3 | ||||
| 1080 | S | 40.2 | Very low | 44.1 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | 176.3 | 152.4 | 138.1 | -83 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1081 | T | 39.1 | Very low | 43.5 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -95 | 142.8 | 179.6 | 45.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1082 | S | 39.5 | Very low | 42.9 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | 178.9 | 127.8 | 130 | 55.3 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1083 | V | 44 | Very low | 42.7 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | 14.7 | 137.5 | 139.6 | -170.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1084 | P | 49.6 | Very low | 42.8 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | trans | -97 | 174.3 | -178.3 | 40.8 | -38.5 | 0 | 0 | 0 | 115.5 | ||||
| 1085 | P | 48.9 | Very low | 42.7 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -135.6 | 164.9 | 148.6 | 39.4 | -26.6 | 0 | 0 | 0 | 115.1 | ||||
| 1086 | E | 38.4 | Very low | 42.5 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | -77.1 | 162.4 | 165.2 | -61.4 | 170.4 | 106.1 | 0 | 0 | 112.5 | ||||
| 1087 | P | 55.5 | Low | 42.2 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | trans | -107.2 | 133.5 | 155.5 | 35.2 | -25.8 | 0 | 0 | 0 | 112.5 | ||||
| 1088 | T | 39.5 | Very low | 41.8 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | trans | -111.2 | 147.1 | 177.4 | 46.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1089 | A | 43.4 | Very low | 41.4 | Very low | 99 Ų | 99 | 132.5 Ų | 132.5 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -168.3 | 117.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1090 | N | 40.3 | Very low | 41.3 | Very low | 145 Ų | 145 | 128.1 Ų | 128.1 | 78% | 0.775 | 82% | 0.816 | S | S | * | * | cis | 82 | 146.9 | 13.9 | -152 | 31.2 | 0 | 0 | 0 | 116.7 | ||||
| 1091 | E | 41.5 | Very low | 41.1 | Very low | 185 Ų | 185 | 127 Ų | 127 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | 69.8 | 142.2 | -175.8 | -53.6 | 179.7 | -159.6 | 0 | 0 | 115.3 | ||||
| 1092 | G | 37.2 | Very low | 41.3 | Very low | 71 Ų | 71 | 127.1 Ų | 127.1 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | cis | 167 | 145.8 | -1.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1093 | P | 43.6 | Very low | 41.4 | Very low | 127 Ų | 127 | 127 Ų | 127 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -102.4 | 153.4 | -166.1 | 37.6 | -35 | 0 | 0 | 0 | 115.4 | ||||
| 1094 | S | 41.8 | Very low | 41.4 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -173.3 | 139.7 | 139.9 | 38.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1095 | N | 37.5 | Very low | 41.6 | Very low | 152 Ų | 152 | 130.3 Ų | 130.3 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | trans | 6 | 129.2 | 150.4 | -50.9 | -18.2 | 0 | 0 | 0 | 120.4 | ||||
| 1096 | S | 41.1 | Very low | 41.6 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | -176 | 159.4 | 98.9 | 42.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1097 | A | 35.6 | Very low | 42.3 | Very low | 95 Ų | 95 | 131 Ų | 131 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -97.9 | 152.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1098 | T | 37.3 | Very low | 42.6 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -155.5 | 145.5 | 144.1 | -70.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1099 | T | 35.2 | Very low | 44.1 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | -86 | 139.2 | -172.7 | 49.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1100 | S | 38.8 | Very low | 45.3 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | -149.5 | 118.4 | 150.3 | 59.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1101 | A | 35.7 | Very low | 46.6 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | trans | -107.8 | 142.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1102 | T | 43.6 | Very low | 47.7 | Very low | 139 Ų | 139 | 126.7 Ų | 126.7 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | -157.4 | 114.4 | 158.3 | 15.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1103 | S | 40.3 | Very low | 49.2 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | trans | 46.5 | 87.3 | 134.8 | -177.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1104 | Q | 44.1 | Very low | 50.2 | Low | 176 Ų | 176 | 127.7 Ų | 127.7 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -135.9 | -11.4 | 156.7 | -158.2 | 135.6 | -11.1 | 0 | 0 | 115.8 | ||
| 1105 | D | 53.5 | Low | 51.2 | Low | 145 Ų | 145 | 126 Ų | 126 | 78% | 0.775 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -3.1 | -176.4 | -52.4 | -52.4 | 0 | 0 | 0 | 115.6 | F1107 | D1105-F1107 VanDerWaalsContact C-N 3.29Å; D1105-F1107 PolarHBondContact O-N 3.24Å |
| 1106 | Y | 50.2 | Low | 51.4 | Low | 145 Ų | 145 | 121 Ų | 121 | 57% | 0.569 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -72.8 | -20.4 | -173.9 | -155.8 | -118.6 | 0 | 0 | 0 | 113.5 | W1109 I1110 | Y1106-W1109 HydrophobicContact CD2-CE3 4.06Å; Y1106-W1109 AromaticContact CE2-CE3 3.64Å; Y1106-W1109 HydrophobicContact CE2-CE3 3.64Å; Y1106-W1109 AromaticContact CE2-CZ3 3.68Å; Y1106-W1109 HydrophobicContact CE2-CZ3 3.68Å; Y1106-W1109 AromaticContact CZ-CZ3 3.81Å; Y1106-I1110 HydrophobicContact CD1-CD1 3.58Å; Y1106-I1110 HydrophobicContact CD1-CG1 4.3Å; Y1106-I1110 HydrophobicContact CE1-CD1 3.61Å; Y1106-I1110 HydrophobicContact CE1-CG1 4.28Å; Y1106-I1110 HydrophobicContact CG-CD1 4.48Å; Y1106-I1110 WeakPolarHBondContact O-CB 3.5Å; Y1106-I1110 VanDerWaalsContact O-CG1 3.31Å; Y1106-I1110 WeakPolarHBondContact O-CG1 3.46Å; Y1106-I1110 PolarHBondContact O-N 3.26Å; Y1106-I1110 VanDerWaalsContact O-N 3.12Å |
| 1107 | F | 52.6 | Low | 51.6 | Low | 169 Ų | 169 | 123.6 Ų | 123.6 | 74% | 0.741 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -80.9 | -33.9 | -177.6 | -98.7 | -82.4 | 0 | 0 | 0 | 114.2 | D1105 K1111 | D1105-F1107 VanDerWaalsContact C-N 3.29Å; D1105-F1107 PolarHBondContact O-N 3.24Å; F1107-K1111 WeakPolarHBondContact O-CB 3.35Å; F1107-K1111 PolarHBondContact O-N 3.37Å |
| 1108 | E | 62.2 | Low | 51.7 | Low | 144 Ų | 144 | 123.8 Ų | 123.8 | 67% | 0.673 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -70.8 | -41.8 | 172.8 | -62.3 | -148.1 | 129.1 | 0 | 0 | 110.7 | I1110 K1111 D1112 | E1108-I1110 VanDerWaalsContact C-N 3.33Å; E1108-I1110 PolarHBondContact O-N 3.28Å; E1108-K1111 WeakPolarHBondContact O-CA 3.46Å; E1108-K1111 VanDerWaalsContact O-CB 3.28Å; E1108-K1111 WeakPolarHBondContact O-CB 3.33Å; E1108-K1111 PolarHBondContact O-N 3.01Å; E1108-D1112 PolarHBondContact O-N 3.34Å |
| 1109 | W | 69.7 | Low | 52.1 | Low | 142 Ų | 142 | 126.1 Ų | 126.1 | 54% | 0.538 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -59.6 | -40.9 | 173.7 | -177.2 | 71.9 | 0 | 0 | 0 | 113 | Y1106 K1111 D1112 V1113 | Y1106-W1109 HydrophobicContact CD2-CE3 4.06Å; Y1106-W1109 AromaticContact CE2-CE3 3.64Å; Y1106-W1109 HydrophobicContact CE2-CE3 3.64Å; Y1106-W1109 AromaticContact CE2-CZ3 3.68Å; Y1106-W1109 HydrophobicContact CE2-CZ3 3.68Å; Y1106-W1109 AromaticContact CZ-CZ3 3.81Å; W1109-K1111 VanDerWaalsContact C-N 3.32Å; W1109-K1111 PolarHBondContact O-N 3.38Å; W1109-D1112 PolarHBondContact O-N 2.91Å; W1109-V1113 HydrophobicContact CD2-CG2 4.12Å; W1109-V1113 HydrophobicContact CH2-CG2 4.36Å; W1109-V1113 HydrophobicContact CZ2-CG2 3.85Å; W1109-V1113 WeakPolarHBondContact O-CB 3.38Å; W1109-V1113 VanDerWaalsContact O-CG2 3.25Å; W1109-V1113 WeakPolarHBondContact O-CG2 3.49Å; W1109-V1113 PolarHBondContact O-N 3.18Å |
| 1110 | I | 70 | Confident | 52.3 | Low | 55 Ų | 55 | 124.9 Ų | 124.9 | 28% | 0.282 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -62.8 | -38.4 | 172.2 | -78.7 | 173.4 | 0 | 0 | 0 | 111.7 | Y1106 E1108 V1113 I1114 | Y1106-I1110 HydrophobicContact CD1-CD1 3.58Å; Y1106-I1110 HydrophobicContact CD1-CG1 4.3Å; Y1106-I1110 HydrophobicContact CE1-CD1 3.61Å; Y1106-I1110 HydrophobicContact CE1-CG1 4.28Å; Y1106-I1110 HydrophobicContact CG-CD1 4.48Å; Y1106-I1110 WeakPolarHBondContact O-CB 3.5Å; Y1106-I1110 VanDerWaalsContact O-CG1 3.31Å; Y1106-I1110 WeakPolarHBondContact O-CG1 3.46Å; Y1106-I1110 PolarHBondContact O-N 3.26Å; Y1106-I1110 VanDerWaalsContact O-N 3.12Å; E1108-I1110 VanDerWaalsContact C-N 3.33Å; E1108-I1110 PolarHBondContact O-N 3.28Å; I1110-V1113 PolarHBondContact O-N 2.92Å; I1110-I1114 HydrophobicContact CG2-CD1 3.59Å; I1110-I1114 HydrophobicContact CG2-CG1 4.29Å; I1110-I1114 WeakPolarHBondContact O-CB 3.4Å; I1110-I1114 VanDerWaalsContact O-CG1 3.29Å; I1110-I1114 WeakPolarHBondContact O-CG1 3.46Å; I1110-I1114 PolarHBondContact O-N 2.91Å |
| 1111 | K | 66.3 | Low | 52.3 | Low | 139 Ų | 139 | 124.2 Ų | 124.2 | 60% | 0.604 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -63.3 | -43.2 | 178.6 | -165.5 | -177.8 | 179 | -170.4 | 0 | 111.4 | F1107 E1108 W1109 I1114 S1115 | F1107-K1111 WeakPolarHBondContact O-CB 3.35Å; F1107-K1111 PolarHBondContact O-N 3.37Å; E1108-K1111 WeakPolarHBondContact O-CA 3.46Å; E1108-K1111 VanDerWaalsContact O-CB 3.28Å; E1108-K1111 WeakPolarHBondContact O-CB 3.33Å; E1108-K1111 PolarHBondContact O-N 3.01Å; W1109-K1111 VanDerWaalsContact C-N 3.32Å; W1109-K1111 PolarHBondContact O-N 3.38Å; K1111-I1114 PolarHBondContact O-N 3.3Å; K1111-S1115 WeakPolarHBondContact O-CB 3.3Å; K1111-S1115 PolarHBondContact O-N 2.84Å; K1111-S1115 PolarHBondContact O-OG 3.35Å |
| 1112 | D | 66.3 | Low | 52.5 | Low | 114 Ų | 114 | 127 Ų | 127 | 61% | 0.61 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -68.1 | -41.6 | 176.4 | -67.8 | -9.3 | 0 | 0 | 0 | 111.9 | E1108 W1109 I1114 S1115 G1116 | E1108-D1112 PolarHBondContact O-N 3.34Å; W1109-D1112 PolarHBondContact O-N 2.91Å; D1112-I1114 PolarHBondContact O-N 3.45Å; D1112-S1115 PolarHBondContact O-N 2.65Å; D1112-G1116 PolarHBondContact O-N 3.12Å |
| 1113 | V | 68.4 | Low | 52.6 | Low | 85 Ų | 85 | 127.1 Ų | 127.1 | 52% | 0.515 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -65.5 | -35.7 | 177.1 | 169 | 0 | 0 | 0 | 0 | 112.2 | W1109 I1110 | W1109-V1113 HydrophobicContact CD2-CG2 4.12Å; W1109-V1113 HydrophobicContact CH2-CG2 4.36Å; W1109-V1113 HydrophobicContact CZ2-CG2 3.85Å; W1109-V1113 WeakPolarHBondContact O-CB 3.38Å; W1109-V1113 VanDerWaalsContact O-CG2 3.25Å; W1109-V1113 WeakPolarHBondContact O-CG2 3.49Å; W1109-V1113 PolarHBondContact O-N 3.18Å; I1110-V1113 PolarHBondContact O-N 2.92Å |
| 1114 | I | 63.7 | Low | 53.3 | Low | 134 Ų | 134 | 126 Ų | 126 | 69% | 0.687 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75.4 | -29.7 | 174.5 | -70.5 | 174.7 | 0 | 0 | 0 | 111.7 | I1110 K1111 D1112 G1116 | I1110-I1114 HydrophobicContact CG2-CD1 3.59Å; I1110-I1114 HydrophobicContact CG2-CG1 4.29Å; I1110-I1114 WeakPolarHBondContact O-CB 3.4Å; I1110-I1114 VanDerWaalsContact O-CG1 3.29Å; I1110-I1114 WeakPolarHBondContact O-CG1 3.46Å; I1110-I1114 PolarHBondContact O-N 2.91Å; K1111-I1114 PolarHBondContact O-N 3.3Å; D1112-I1114 PolarHBondContact O-N 3.45Å; I1114-G1116 PolarHBondContact O-N 3.38Å |
| 1115 | S | 63.2 | Low | 53.4 | Low | 78 Ų | 78 | 123.2 Ų | 123.2 | 55% | 0.545 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -71.4 | -14.2 | 179.8 | -59.5 | 0 | 0 | 0 | 0 | 113.9 | K1111 D1112 E1117 | K1111-S1115 WeakPolarHBondContact O-CB 3.3Å; K1111-S1115 PolarHBondContact O-N 2.84Å; K1111-S1115 PolarHBondContact O-OG 3.35Å; D1112-S1115 PolarHBondContact O-N 2.65Å; S1115-E1117 VanDerWaalsContact C-N 3.33Å; S1115-E1117 PolarHBondContact O-N 2.92Å |
| 1116 | G | 41.6 | Very low | 53.3 | Low | 46 Ų | 46 | 120 Ų | 120 | 47% | 0.474 | 65% | 0.651 | S | S | . | * | trans | 76.2 | 4.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | D1112 I1114 A1118 | D1112-G1116 PolarHBondContact O-N 3.12Å; I1114-G1116 PolarHBondContact O-N 3.38Å; G1116-A1118 VanDerWaalsContact C-N 3.3Å; G1116-A1118 PolarHBondContact O-N 3Å | ||
| 1117 | E | 45.8 | Very low | 53.5 | Low | 184 Ų | 184 | 117.6 Ų | 117.6 | 86% | 0.86 | 66% | 0.656 | S | S | * | * | trans | -76.7 | -10.7 | -177.6 | -62.4 | -159 | 118.7 | 0 | 0 | 114.5 | S1115 K1119 | S1115-E1117 VanDerWaalsContact C-N 3.33Å; S1115-E1117 PolarHBondContact O-N 2.92Å; E1117-K1119 PolarHBondContact O-N 2.75Å | ||
| 1118 | A | 36.5 | Very low | 54 | Low | 99 Ų | 99 | 115.4 Ų | 115.4 | 82% | 0.818 | 65% | 0.646 | S | S | * | * | trans | -73.5 | 91.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1116 | G1116-A1118 VanDerWaalsContact C-N 3.3Å; G1116-A1118 PolarHBondContact O-N 3Å | ||
| 1119 | K | 46.4 | Very low | 54 | Low | 188 Ų | 188 | 115 Ų | 115 | 82% | 0.817 | 64% | 0.638 | S | S | * | * | trans | -124.4 | 126.8 | 170.4 | -76.6 | 177.2 | -178.4 | 163.2 | 0 | 112.8 | E1117 | E1117-K1119 PolarHBondContact O-N 2.75Š| ||
| 1120 | S | 40 | Very low | 54 | Low | 111 Ų | 111 | 115.7 Ų | 115.7 | 78% | 0.776 | 65% | 0.645 | S | S | * | * | trans | -66.9 | 148.1 | 179.1 | 52.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1121 | P | 37.6 | Very low | 53.9 | Low | 110 Ų | 110 | 118.4 Ų | 118.4 | 71% | 0.714 | 66% | 0.659 | S | S | * | * | trans | -71.6 | -177.7 | 171.2 | 33 | -36.6 | 0 | 0 | 0 | 112 | ||||
| 1122 | I | 41.2 | Very low | 54.2 | Low | 156 Ų | 156 | 115.6 Ų | 115.6 | 80% | 0.8 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 76.7 | 75 | 175.1 | -43.9 | 167.7 | 0 | 0 | 0 | 114 | ||
| 1123 | T | 45.3 | Very low | 54.5 | Low | 141 Ų | 141 | 115.6 Ų | 115.6 | 87% | 0.865 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 167 | -24 | 132.1 | 34.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1124 | S | 54 | Low | 54.9 | Low | 86 Ų | 86 | 114.9 Ų | 114.9 | 60% | 0.601 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -9.4 | -164 | 61.2 | 0 | 0 | 0 | 0 | 117.4 | A1126 S1127 K1128 | S1124-A1126 VanDerWaalsContact C-N 3.3Å; S1124-A1126 PolarHBondContact O-N 3.05Å; S1124-S1127 PolarHBondContact O-N 3.24Å; S1124-K1128 PolarHBondContact O-N 2.93Å; S1124-K1128 VanDerWaalsContact O-N 3.13Å |
| 1125 | E | 47.3 | Very low | 55.5 | Low | 116 Ų | 116 | 111.1 Ų | 111.1 | 54% | 0.542 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -57.4 | -35.5 | -171.6 | -73.4 | -157 | 129 | 0 | 0 | 114.8 | S1127 K1128 R1129 | E1125-S1127 VanDerWaalsContact C-N 3.33Å; E1125-S1127 PolarHBondContact O-N 3.49Å; E1125-K1128 PolarHBondContact O-N 3.33Å; E1125-R1129 WeakPolarHBondContact O-CG 3.42Å; E1125-R1129 PolarHBondContact O-N 2.69Å; E1125-R1129 IonicContact OE1-CZ 3.18Å; E1125-R1129 IonicContact OE1-NH1 2.75Å; E1125-R1129 IonicContact OE1-NH2 3.43Å; E1125-R1129 PolarHBondContact OE1-NH2 3.45Å; E1125-R1129 IonicContact OE2-CZ 2.74Å; E1125-R1129 VanDerWaalsContact OE2-CZ 3.25Å; E1125-R1129 IonicContact OE2-NH1 3.27Å; E1125-R1129 PolarHBondContact OE2-NH1 3.28Å; E1125-R1129 IonicContact OE2-NH2 3.46Å; E1125-R1129 PolarHBondContact OE2-NH2 2.89Å |
| 1126 | A | 50.7 | Low | 56.3 | Low | 77 Ų | 77 | 111.2 Ų | 111.2 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.6 | -39.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112 | S1124 K1130 | S1124-A1126 VanDerWaalsContact C-N 3.3Å; S1124-A1126 PolarHBondContact O-N 3.05Å; A1126-K1130 PolarHBondContact O-N 3.29Å |
| 1127 | S | 54.8 | Low | 58.1 | Low | 96 Ų | 96 | 114.2 Ų | 114.2 | 67% | 0.671 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -75 | -36 | 173.9 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | S1124 E1125 K1130 L1131 | S1124-S1127 PolarHBondContact O-N 3.24Å; E1125-S1127 VanDerWaalsContact C-N 3.33Å; E1125-S1127 PolarHBondContact O-N 3.49Å; S1127-K1130 PolarHBondContact O-N 2.82Å; S1127-L1131 WeakPolarHBondContact O-CB 3.41Å; S1127-L1131 PolarHBondContact O-N 2.9Å |
| 1128 | K | 63 | Low | 59.6 | Low | 122 Ų | 122 | 110 Ų | 110 | 53% | 0.53 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.5 | -48.4 | 176.2 | -163.4 | 178.4 | -172.5 | -88.7 | 0 | 111.3 | S1124 E1125 K1130 L1131 E1132 | S1124-K1128 PolarHBondContact O-N 2.93Å; S1124-K1128 VanDerWaalsContact O-N 3.13Å; E1125-K1128 PolarHBondContact O-N 3.33Å; K1128-K1130 VanDerWaalsContact C-N 3.3Å; K1128-K1130 PolarHBondContact O-N 3.15Å; K1128-L1131 WeakPolarHBondContact O-CB 3.49Å; K1128-L1131 PolarHBondContact O-N 2.82Å; K1128-L1131 VanDerWaalsContact O-N 3.13Å; K1128-E1132 HydrophobicContact CG-CG 4.44Å; K1128-E1132 IonicContact NZ-OE1 3.45Å; K1128-E1132 PolarHBondContact NZ-OE1 2.89Å; K1128-E1132 WeakPolarHBondContact O-CB 3.39Å; K1128-E1132 VanDerWaalsContact O-CG 3.27Å; K1128-E1132 WeakPolarHBondContact O-CG 3.29Å; K1128-E1132 PolarHBondContact O-N 2.86Å |
| 1129 | R | 62.2 | Low | 61.7 | Low | 137 Ų | 137 | 111 Ų | 111 | 52% | 0.517 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.4 | -35.5 | 176.4 | -72 | -178 | -178.8 | 110.9 | 13.3 | 113.2 | E1125 E1132 Q1133 | E1125-R1129 WeakPolarHBondContact O-CG 3.42Å; E1125-R1129 PolarHBondContact O-N 2.69Å; E1125-R1129 IonicContact OE1-CZ 3.18Å; E1125-R1129 IonicContact OE1-NH1 2.75Å; E1125-R1129 IonicContact OE1-NH2 3.43Å; E1125-R1129 PolarHBondContact OE1-NH2 3.45Å; E1125-R1129 IonicContact OE2-CZ 2.74Å; E1125-R1129 VanDerWaalsContact OE2-CZ 3.25Å; E1125-R1129 IonicContact OE2-NH1 3.27Å; E1125-R1129 PolarHBondContact OE2-NH1 3.28Å; E1125-R1129 IonicContact OE2-NH2 3.46Å; E1125-R1129 PolarHBondContact OE2-NH2 2.89Å; R1129-E1132 WeakPolarHBondContact CA-OE2 3.47Å; R1129-Q1133 WeakPolarHBondContact O-CB 3.41Å; R1129-Q1133 PolarHBondContact O-N 3.18Å |
| 1130 | K | 70.2 | Confident | 63.5 | Low | 155 Ų | 155 | 108 Ų | 108 | 67% | 0.674 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -72.9 | -32.9 | 176.8 | -158.1 | 170.8 | -173.2 | 178.8 | 0 | 112.3 | A1126 S1127 K1128 T1134 | A1126-K1130 PolarHBondContact O-N 3.29Å; S1127-K1130 PolarHBondContact O-N 2.82Å; K1128-K1130 VanDerWaalsContact C-N 3.3Å; K1128-K1130 PolarHBondContact O-N 3.15Å; K1130-T1134 PolarHBondContact O-N 2.9Å; K1130-T1134 VanDerWaalsContact O-N 3.15Å; K1130-T1134 PolarHBondContact O-OG1 3.49Å; K1130-T1134 VanDerWaalsContact O-OG1 3.06Å |
| 1131 | L | 67.3 | Low | 65.4 | Low | 112 Ų | 112 | 106.2 Ų | 106.2 | 59% | 0.586 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.1 | -48.2 | 170.7 | -173.1 | 64.5 | 0 | 0 | 0 | 110.9 | S1127 K1128 Q1133 T1134 T1135 | S1127-L1131 WeakPolarHBondContact O-CB 3.41Å; S1127-L1131 PolarHBondContact O-N 2.9Å; K1128-L1131 WeakPolarHBondContact O-CB 3.49Å; K1128-L1131 PolarHBondContact O-N 2.82Å; K1128-L1131 VanDerWaalsContact O-N 3.13Å; L1131-Q1133 VanDerWaalsContact C-N 3.32Å; L1131-Q1133 PolarHBondContact O-N 3.04Å; L1131-T1134 WeakPolarHBondContact CA-OG1 3.37Å; L1131-T1134 CarbonylContact O-C 3.54Å; L1131-T1134 PolarHBondContact O-N 3.44Å; L1131-T1134 VanDerWaalsContact O-N 3.08Å; L1131-T1134 PolarHBondContact O-OG1 2.95Å; L1131-T1135 PolarHBondContact O-N 3.34Å; L1131-T1135 PolarHBondContact O-OG1 3.2Å |
| 1132 | E | 71.8 | Confident | 67.5 | Low | 81 Ų | 81 | 103.9 Ų | 103.9 | 38% | 0.379 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -57.2 | -41.7 | 176.5 | -71.9 | 164.1 | 162.1 | 0 | 0 | 112.3 | K1128 R1129 T1135 T1136 | K1128-E1132 HydrophobicContact CG-CG 4.44Å; K1128-E1132 IonicContact NZ-OE1 3.45Å; K1128-E1132 PolarHBondContact NZ-OE1 2.89Å; K1128-E1132 WeakPolarHBondContact O-CB 3.39Å; K1128-E1132 VanDerWaalsContact O-CG 3.27Å; K1128-E1132 WeakPolarHBondContact O-CG 3.29Å; K1128-E1132 PolarHBondContact O-N 2.86Å; R1129-E1132 WeakPolarHBondContact CA-OE2 3.47Å; E1132-T1135 WeakPolarHBondContact CA-OG1 3.48Å; E1132-T1135 PolarHBondContact O-N 2.77Å; E1132-T1135 PolarHBondContact O-OG1 2.97Å; E1132-T1136 PolarHBondContact O-N 3.04Å; E1132-T1136 PolarHBondContact O-OG1 3.34Å; E1132-T1136 VanDerWaalsContact O-OG1 3.08Å |
| 1133 | Q | 74.2 | Confident | 69.5 | Low | 113 Ų | 113 | 99.9 Ų | 99.9 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 172.9 | -172.6 | 175.5 | -10 | 0 | 0 | 111.7 | R1129 L1131 T1135 T1136 E1137 | R1129-Q1133 WeakPolarHBondContact O-CB 3.41Å; R1129-Q1133 PolarHBondContact O-N 3.18Å; L1131-Q1133 VanDerWaalsContact C-N 3.32Å; L1131-Q1133 PolarHBondContact O-N 3.04Å; Q1133-T1135 VanDerWaalsContact C-N 3.34Å; Q1133-T1135 PolarHBondContact O-N 2.9Å; Q1133-T1136 PolarHBondContact O-N 3.43Å; Q1133-T1136 PolarHBondContact O-OG1 3.26Å; Q1133-E1137 PolarHBondContact NE2-OE1 2.82Å; Q1133-E1137 WeakPolarHBondContact O-CG 3.26Å; Q1133-E1137 PolarHBondContact O-N 3.37Å |
| 1134 | T | 75.5 | Confident | 71.2 | Confident | 70 Ų | 70 | 97.7 Ų | 97.7 | 43% | 0.429 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.2 | -26.7 | 177.5 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | K1130 L1131 L1138 | K1130-T1134 PolarHBondContact O-N 2.9Å; K1130-T1134 VanDerWaalsContact O-N 3.15Å; K1130-T1134 PolarHBondContact O-OG1 3.49Å; K1130-T1134 VanDerWaalsContact O-OG1 3.06Å; L1131-T1134 WeakPolarHBondContact CA-OG1 3.37Å; L1131-T1134 CarbonylContact O-C 3.54Å; L1131-T1134 PolarHBondContact O-N 3.44Å; L1131-T1134 VanDerWaalsContact O-N 3.08Å; L1131-T1134 PolarHBondContact O-OG1 2.95Å; T1134-L1138 VanDerWaalsContact O-CB 3.25Å; T1134-L1138 WeakPolarHBondContact O-CB 3.44Å; T1134-L1138 PolarHBondContact O-N 3.24Å |
| 1135 | T | 77.1 | Confident | 72.5 | Confident | 56 Ų | 56 | 96.4 Ų | 96.4 | 34% | 0.344 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.1 | -41.5 | 171.1 | 51.8 | 0 | 0 | 0 | 0 | 110.9 | L1131 E1132 Q1133 E1137 L1138 E1139 | L1131-T1135 PolarHBondContact O-N 3.34Å; L1131-T1135 PolarHBondContact O-OG1 3.2Å; E1132-T1135 WeakPolarHBondContact CA-OG1 3.48Å; E1132-T1135 PolarHBondContact O-N 2.77Å; E1132-T1135 PolarHBondContact O-OG1 2.97Å; Q1133-T1135 VanDerWaalsContact C-N 3.34Å; Q1133-T1135 PolarHBondContact O-N 2.9Å; T1135-E1137 VanDerWaalsContact C-N 3.35Å; T1135-E1137 PolarHBondContact O-N 2.87Å; T1135-L1138 CarbonylContact O-C 3.57Å; T1135-L1138 PolarHBondContact O-N 3.14Å; T1135-L1138 VanDerWaalsContact O-N 3.16Å; T1135-E1139 WeakPolarHBondContact O-CB 3.48Å; T1135-E1139 VanDerWaalsContact O-CG 3.26Å; T1135-E1139 WeakPolarHBondContact O-CG 3.32Å; T1135-E1139 PolarHBondContact O-N 3.19Å |
| 1136 | T | 79.3 | Confident | 74.1 | Confident | 79 Ų | 79 | 95 Ų | 95 | 49% | 0.485 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.3 | -34.7 | 174.7 | 49.9 | 0 | 0 | 0 | 0 | 113.6 | E1132 Q1133 K1140 | E1132-T1136 PolarHBondContact O-N 3.04Å; E1132-T1136 PolarHBondContact O-OG1 3.34Å; E1132-T1136 VanDerWaalsContact O-OG1 3.08Å; Q1133-T1136 PolarHBondContact O-N 3.43Å; Q1133-T1136 PolarHBondContact O-OG1 3.26Å; T1136-K1140 WeakPolarHBondContact O-CB 3.48Å; T1136-K1140 PolarHBondContact O-N 3.46Å |
| 1137 | E | 79.8 | Confident | 75.6 | Confident | 109 Ų | 109 | 96.3 Ų | 96.3 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68 | -37.7 | 171.3 | -72.9 | 170.2 | -169.1 | 0 | 0 | 111.7 | Q1133 T1135 C1141 | Q1133-E1137 PolarHBondContact NE2-OE1 2.82Å; Q1133-E1137 WeakPolarHBondContact O-CG 3.26Å; Q1133-E1137 PolarHBondContact O-N 3.37Å; T1135-E1137 VanDerWaalsContact C-N 3.35Å; T1135-E1137 PolarHBondContact O-N 2.87Å; E1137-C1141 WeakPolarHBondContact O-CB 3.18Å; E1137-C1141 PolarHBondContact O-N 3.24Å |
| 1138 | L | 78.5 | Confident | 76.8 | Confident | 95 Ų | 95 | 97.1 Ų | 97.1 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.9 | -42.1 | 175.6 | -171.4 | 69.7 | 0 | 0 | 0 | 112.4 | T1134 T1135 C1141 V1142 | T1134-L1138 VanDerWaalsContact O-CB 3.25Å; T1134-L1138 WeakPolarHBondContact O-CB 3.44Å; T1134-L1138 PolarHBondContact O-N 3.24Å; T1135-L1138 CarbonylContact O-C 3.57Å; T1135-L1138 PolarHBondContact O-N 3.14Å; T1135-L1138 VanDerWaalsContact O-N 3.16Å; L1138-C1141 CarbonylContact O-C 3.6Å; L1138-C1141 PolarHBondContact O-N 2.83Å; L1138-V1142 WeakPolarHBondContact O-CB 3.21Å; L1138-V1142 WeakPolarHBondContact O-CG2 3.41Å; L1138-V1142 PolarHBondContact O-N 2.93Å |
| 1139 | E | 80 | Confident | 77.5 | Confident | 122 Ų | 122 | 93.6 Ų | 93.6 | 57% | 0.57 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60.1 | -45.2 | 174.6 | -76.5 | 164.2 | 175.8 | 0 | 0 | 110.6 | T1135 C1141 V1142 E1143 | T1135-E1139 WeakPolarHBondContact O-CB 3.48Å; T1135-E1139 VanDerWaalsContact O-CG 3.26Å; T1135-E1139 WeakPolarHBondContact O-CG 3.32Å; T1135-E1139 PolarHBondContact O-N 3.19Å; E1139-C1141 VanDerWaalsContact C-N 3.33Å; E1139-C1141 PolarHBondContact O-N 2.83Å; E1139-V1142 PolarHBondContact O-N 3.46Å; E1139-E1143 VanDerWaalsContact O-CB 3.22Å; E1139-E1143 WeakPolarHBondContact O-CB 3.3Å; E1139-E1143 PolarHBondContact O-N 3.47Å |
| 1140 | K | 83.3 | Confident | 78.3 | Confident | 123 Ų | 123 | 91.5 Ų | 91.5 | 54% | 0.535 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 173.3 | -176.3 | 176.4 | 177.8 | -64.9 | 0 | 112.1 | T1136 E1143 E1144 | T1136-K1140 WeakPolarHBondContact O-CB 3.48Å; T1136-K1140 PolarHBondContact O-N 3.46Å; K1140-E1143 PolarHBondContact O-N 2.82Å; K1140-E1144 WeakPolarHBondContact CE-OE1 3.42Å; K1140-E1144 IonicContact NZ-OE1 3.8Å; K1140-E1144 PolarHBondContact NZ-OE1 2.64Å; K1140-E1144 IonicContact NZ-OE2 2.65Å; K1140-E1144 PolarHBondContact NZ-OE2 2.98Å; K1140-E1144 WeakPolarHBondContact O-CB 3.49Å; K1140-E1144 WeakPolarHBondContact O-CG 3.49Å; K1140-E1144 PolarHBondContact O-N 2.79Å |
| 1141 | C | 80.8 | Confident | 78.5 | Confident | 74 Ų | 74 | 87.9 Ų | 87.9 | 50% | 0.5 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -69.4 | -37.7 | 177.6 | -171.3 | 0 | 0 | 0 | 0 | 112.7 | E1137 L1138 E1139 E1144 K1145 | E1137-C1141 WeakPolarHBondContact O-CB 3.18Å; E1137-C1141 PolarHBondContact O-N 3.24Å; L1138-C1141 CarbonylContact O-C 3.6Å; L1138-C1141 PolarHBondContact O-N 2.83Å; E1139-C1141 VanDerWaalsContact C-N 3.33Å; E1139-C1141 PolarHBondContact O-N 2.83Å; C1141-E1144 PolarHBondContact O-N 3.35Å; C1141-K1145 WeakPolarHBondContact O-CB 3.22Å; C1141-K1145 PolarHBondContact O-N 3.16Å |
| 1142 | V | 81.2 | Confident | 79.2 | Confident | 62 Ų | 62 | 86.5 Ų | 86.5 | 38% | 0.376 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 172.7 | 167 | 0 | 0 | 0 | 0 | 110.8 | L1138 E1139 K1145 R1146 | L1138-V1142 WeakPolarHBondContact O-CB 3.21Å; L1138-V1142 WeakPolarHBondContact O-CG2 3.41Å; L1138-V1142 PolarHBondContact O-N 2.93Å; E1139-V1142 PolarHBondContact O-N 3.46Å; V1142-K1145 PolarHBondContact O-N 3.21Å; V1142-R1146 WeakPolarHBondContact O-CB 3.38Å; V1142-R1146 PolarHBondContact O-N 3.38Å |
| 1143 | E | 82.4 | Confident | 79.4 | Confident | 72 Ų | 72 | 86.3 Ų | 86.3 | 34% | 0.336 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -71.9 | -30.7 | 178.3 | -176 | 57.3 | -158.3 | 0 | 0 | 112.7 | E1139 K1140 R1146 K1147 | E1139-E1143 VanDerWaalsContact O-CB 3.22Å; E1139-E1143 WeakPolarHBondContact O-CB 3.3Å; E1139-E1143 PolarHBondContact O-N 3.47Å; K1140-E1143 PolarHBondContact O-N 2.82Å; E1143-R1146 IonicContact OE2-CZ 2.8Å; E1143-R1146 IonicContact OE2-NH1 3.86Å; E1143-R1146 PolarHBondContact OE2-NH1 2.97Å; E1143-K1147 WeakPolarHBondContact O-CG 3.38Å; E1143-K1147 PolarHBondContact O-N 3.31Å; E1143-K1147 IonicContact OE1-NZ 2.82Å; E1143-K1147 PolarHBondContact OE1-NZ 3.34Å |
| 1144 | E | 81 | Confident | 79.4 | Confident | 94 Ų | 94 | 86.5 Ų | 86.5 | 44% | 0.439 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -71 | -39.7 | 167.9 | -77.5 | 169.6 | 176.7 | 0 | 0 | 111.6 | K1140 C1141 K1147 L1148 | K1140-E1144 WeakPolarHBondContact CE-OE1 3.42Å; K1140-E1144 IonicContact NZ-OE1 3.8Å; K1140-E1144 PolarHBondContact NZ-OE1 2.64Å; K1140-E1144 IonicContact NZ-OE2 2.65Å; K1140-E1144 PolarHBondContact NZ-OE2 2.98Å; K1140-E1144 WeakPolarHBondContact O-CB 3.49Å; K1140-E1144 WeakPolarHBondContact O-CG 3.49Å; K1140-E1144 PolarHBondContact O-N 2.79Å; C1141-E1144 PolarHBondContact O-N 3.35Å; E1144-K1147 PolarHBondContact O-N 2.88Å; E1144-L1148 WeakPolarHBondContact O-CG 3.47Å; E1144-L1148 PolarHBondContact O-N 3.21Å |
| 1145 | K | 83.1 | Confident | 79.5 | Confident | 59 Ų | 59 | 89.2 Ų | 89.2 | 26% | 0.257 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 172.5 | -177.9 | 177.9 | 177.8 | -88.1 | 0 | 112.3 | L574 C1141 V1142 L1148 M1149 | L574-K1145 HydrophobicContact CD2-CD 3.59Å; C1141-K1145 WeakPolarHBondContact O-CB 3.22Å; C1141-K1145 PolarHBondContact O-N 3.16Å; V1142-K1145 PolarHBondContact O-N 3.21Å; K1145-L1148 PolarHBondContact O-N 3.34Å; K1145-M1149 PolarHBondContact NZ-SD 3.07Å; K1145-M1149 PolarHBondContact O-N 2.9Å |
| 1146 | R | 80 | Confident | 79.5 | Confident | 87 Ų | 87 | 91.1 Ų | 91.1 | 33% | 0.328 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -56 | -55.4 | 174.6 | 173.7 | 175.6 | -69 | 121 | 4.3 | 109.7 | E581 V1142 E1143 L1148 M1149 D1150 | E581-R1146 IonicContact OE1-CZ 2.71Å; E581-R1146 IonicContact OE1-NE 2.64Å; E581-R1146 PolarHBondContact OE1-NE 3.12Å; E581-R1146 IonicContact OE1-NH2 3.64Å; E581-R1146 PolarHBondContact OE1-NH2 3.36Å; V1142-R1146 WeakPolarHBondContact O-CB 3.38Å; V1142-R1146 PolarHBondContact O-N 3.38Å; E1143-R1146 IonicContact OE2-CZ 2.8Å; E1143-R1146 IonicContact OE2-NH1 3.86Å; E1143-R1146 PolarHBondContact OE2-NH1 2.97Å; R1146-L1148 VanDerWaalsContact C-N 3.28Å; R1146-L1148 PolarHBondContact O-N 2.99Å; R1146-M1149 CarbonylContact O-C 3.57Å; R1146-M1149 WeakPolarHBondContact O-CA 3.4Å; R1146-M1149 WeakPolarHBondContact O-CB 3.41Å; R1146-M1149 PolarHBondContact O-N 3.15Å; R1146-D1150 WeakPolarHBondContact CG-OD2 3.27Å; R1146-D1150 VanDerWaalsContact O-CG 3.26Å; R1146-D1150 PolarHBondContact O-N 3.06Å |
| 1147 | K | 83.2 | Confident | 79.3 | Confident | 104 Ų | 104 | 89.9 Ų | 89.9 | 45% | 0.452 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -55.7 | -38.5 | 176.4 | -72.3 | 176.3 | 171.2 | 77.9 | 0 | 113.4 | E1143 E1144 Q1151 | E1143-K1147 WeakPolarHBondContact O-CG 3.38Å; E1143-K1147 PolarHBondContact O-N 3.31Å; E1143-K1147 IonicContact OE1-NZ 2.82Å; E1143-K1147 PolarHBondContact OE1-NZ 3.34Å; E1144-K1147 PolarHBondContact O-N 2.88Å; K1147-Q1151 WeakPolarHBondContact O-CB 3.3Å; K1147-Q1151 VanDerWaalsContact O-CG 3.24Å; K1147-Q1151 WeakPolarHBondContact O-CG 3.44Å; K1147-Q1151 PolarHBondContact O-N 2.98Å |
| 1148 | L | 79.9 | Confident | 79.3 | Confident | 114 Ų | 114 | 89.8 Ų | 89.8 | 60% | 0.597 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -70.2 | -29.6 | 174.4 | -72.8 | 168.1 | 0 | 0 | 0 | 113.3 | E1144 K1145 R1146 L1152 | E1144-L1148 WeakPolarHBondContact O-CG 3.47Å; E1144-L1148 PolarHBondContact O-N 3.21Å; K1145-L1148 PolarHBondContact O-N 3.34Å; R1146-L1148 VanDerWaalsContact C-N 3.28Å; R1146-L1148 PolarHBondContact O-N 2.99Å; L1148-L1152 WeakPolarHBondContact O-CB 3.37Å; L1148-L1152 PolarHBondContact O-N 3.36Å; L1148-L1152 VanDerWaalsContact O-N 3.13Å |
| 1149 | M | 76.9 | Confident | 79.1 | Confident | 48 Ų | 48 | 89.6 Ų | 89.6 | 24% | 0.236 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -76.3 | -42 | 172 | -82.5 | -168.3 | 53.8 | 0 | 0 | 112.2 | Q578 K1145 R1146 Q1151 L1152 D1153 | Q578-M1149 HydrophobicContact CG-CE 4.48Å; Q578-M1149 HydrophobicContact CG-SD 4.28Å; Q578-M1149 PolarHBondContact NE2-SD 2.87Å; K1145-M1149 PolarHBondContact NZ-SD 3.07Å; K1145-M1149 PolarHBondContact O-N 2.9Å; R1146-M1149 CarbonylContact O-C 3.57Å; R1146-M1149 WeakPolarHBondContact O-CA 3.4Å; R1146-M1149 WeakPolarHBondContact O-CB 3.41Å; R1146-M1149 PolarHBondContact O-N 3.15Å; M1149-Q1151 VanDerWaalsContact C-N 3.3Å; M1149-Q1151 PolarHBondContact O-N 3.32Å; M1149-L1152 PolarHBondContact O-N 3.15Å; M1149-L1152 VanDerWaalsContact O-N 3.1Å; M1149-D1153 PolarHBondContact O-N 3.12Å |
| 1150 | D | 78 | Confident | 79.1 | Confident | 92 Ų | 92 | 90.4 Ų | 90.4 | 49% | 0.492 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -56.1 | -47.2 | 173.2 | -60 | -36.7 | 0 | 0 | 0 | 110 | R1146 L1152 D1153 E1154 | R1146-D1150 WeakPolarHBondContact CG-OD2 3.27Å; R1146-D1150 VanDerWaalsContact O-CG 3.26Å; R1146-D1150 PolarHBondContact O-N 3.06Å; D1150-L1152 PolarHBondContact O-N 3.3Å; D1150-D1153 PolarHBondContact O-N 3.47Å; D1150-E1154 VanDerWaalsContact O-CB 3.28Å; D1150-E1154 WeakPolarHBondContact O-CB 3.4Å; D1150-E1154 PolarHBondContact O-N 2.68Å |
| 1151 | Q | 75.6 | Confident | 79 | Confident | 79 Ų | 79 | 87.8 Ų | 87.8 | 37% | 0.369 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 174.4 | -76.3 | 177.5 | -28.8 | 0 | 0 | 113.3 | K1147 M1149 Q1155 | K1147-Q1151 WeakPolarHBondContact O-CB 3.3Å; K1147-Q1151 VanDerWaalsContact O-CG 3.24Å; K1147-Q1151 WeakPolarHBondContact O-CG 3.44Å; K1147-Q1151 PolarHBondContact O-N 2.98Å; M1149-Q1151 VanDerWaalsContact C-N 3.3Å; M1149-Q1151 PolarHBondContact O-N 3.32Å; Q1151-Q1155 WeakPolarHBondContact O-CB 3.39Å; Q1151-Q1155 WeakPolarHBondContact O-CG 3.46Å; Q1151-Q1155 PolarHBondContact O-N 2.93Å |
| 1152 | L | 81.5 | Confident | 78.8 | Confident | 83 Ų | 83 | 88.4 Ų | 88.4 | 44% | 0.435 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69.2 | -36.5 | 178 | 179.1 | 62.8 | 0 | 0 | 0 | 111.9 | L1148 M1149 D1150 K1156 | L1148-L1152 WeakPolarHBondContact O-CB 3.37Å; L1148-L1152 PolarHBondContact O-N 3.36Å; L1148-L1152 VanDerWaalsContact O-N 3.13Å; M1149-L1152 PolarHBondContact O-N 3.15Å; M1149-L1152 VanDerWaalsContact O-N 3.1Å; D1150-L1152 PolarHBondContact O-N 3.3Å; L1152-K1156 VanDerWaalsContact O-CG 3.32Å; L1152-K1156 WeakPolarHBondContact O-CG 3.41Å; L1152-K1156 PolarHBondContact O-N 2.76Å |
| 1153 | D | 76.3 | Confident | 78.8 | Confident | 77 Ų | 77 | 88.7 Ų | 88.7 | 41% | 0.412 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -79.2 | -30.6 | 177.8 | -72.6 | -14.9 | 0 | 0 | 0 | 111.9 | M1149 D1150 K1156 A1157 | M1149-D1153 PolarHBondContact O-N 3.12Å; D1150-D1153 PolarHBondContact O-N 3.47Å; D1153-K1156 PolarHBondContact O-N 2.92Å; D1153-K1156 WeakPolarHBondContact OD1-CD 3.49Å; D1153-K1156 WeakPolarHBondContact OD1-CE 3.19Å; D1153-K1156 IonicContact OD1-NZ 3.93Å; D1153-K1156 PolarHBondContact OD1-NZ 3.49Å; D1153-A1157 WeakPolarHBondContact O-CB 3.15Å; D1153-A1157 PolarHBondContact O-N 2.83Å |
| 1154 | E | 75.1 | Confident | 78.4 | Confident | 118 Ų | 118 | 86.7 Ų | 86.7 | 55% | 0.551 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.4 | -43.2 | 166.9 | -173.8 | 169 | -136.2 | 0 | 0 | 111.5 | D1150 K1156 A1157 L1158 | D1150-E1154 VanDerWaalsContact O-CB 3.28Å; D1150-E1154 WeakPolarHBondContact O-CB 3.4Å; D1150-E1154 PolarHBondContact O-N 2.68Å; E1154-K1156 PolarHBondContact O-N 3.25Å; E1154-A1157 PolarHBondContact O-N 3.3Å; E1154-L1158 PolarHBondContact O-N 3.09Å |
| 1155 | Q | 75.6 | Confident | 78.1 | Confident | 126 Ų | 126 | 87 Ų | 87 | 59% | 0.589 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.5 | -40.9 | 171.5 | -78.7 | -172.4 | -5.7 | 0 | 0 | 112.4 | Q1151 A1157 L1158 V1159 | Q1151-Q1155 WeakPolarHBondContact O-CB 3.39Å; Q1151-Q1155 WeakPolarHBondContact O-CG 3.46Å; Q1151-Q1155 PolarHBondContact O-N 2.93Å; Q1155-A1157 VanDerWaalsContact C-N 3.35Å; Q1155-L1158 PolarHBondContact O-N 3.31Å; Q1155-V1159 WeakPolarHBondContact O-CG2 3.33Å; Q1155-V1159 PolarHBondContact O-N 2.91Å |
| 1156 | K | 77.1 | Confident | 77.5 | Confident | 96 Ų | 96 | 89.5 Ų | 89.5 | 42% | 0.417 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 172.6 | -72.6 | 168.1 | -160.9 | 154.2 | 0 | 111.5 | L1152 D1153 E1154 V1159 Q1160 | L1152-K1156 VanDerWaalsContact O-CG 3.32Å; L1152-K1156 WeakPolarHBondContact O-CG 3.41Å; L1152-K1156 PolarHBondContact O-N 2.76Å; D1153-K1156 PolarHBondContact O-N 2.92Å; D1153-K1156 WeakPolarHBondContact OD1-CD 3.49Å; D1153-K1156 WeakPolarHBondContact OD1-CE 3.19Å; D1153-K1156 IonicContact OD1-NZ 3.93Å; D1153-K1156 PolarHBondContact OD1-NZ 3.49Å; E1154-K1156 PolarHBondContact O-N 3.25Å; K1156-V1159 PolarHBondContact O-N 2.98Å; K1156-Q1160 WeakPolarHBondContact O-CB 3.4Å; K1156-Q1160 VanDerWaalsContact O-CG 3.23Å; K1156-Q1160 WeakPolarHBondContact O-CG 3.43Å; K1156-Q1160 PolarHBondContact O-N 2.84Å |
| 1157 | A | 76.4 | Confident | 77.4 | Confident | 54 Ų | 54 | 90.5 Ų | 90.5 | 45% | 0.446 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1153 E1154 Q1155 Q1160 S1161 | D1153-A1157 WeakPolarHBondContact O-CB 3.15Å; D1153-A1157 PolarHBondContact O-N 2.83Å; E1154-A1157 PolarHBondContact O-N 3.3Å; Q1155-A1157 VanDerWaalsContact C-N 3.35Å; A1157-Q1160 PolarHBondContact O-N 3.24Å; A1157-S1161 VanDerWaalsContact O-CB 3.3Å; A1157-S1161 WeakPolarHBondContact O-CB 3.29Å; A1157-S1161 PolarHBondContact O-N 3.46Å |
| 1158 | L | 80.3 | Confident | 76.9 | Confident | 107 Ų | 107 | 88.9 Ų | 88.9 | 56% | 0.56 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.4 | -47.2 | 174.5 | -177.6 | 62.7 | 0 | 0 | 0 | 111.9 | E1154 Q1155 Q1160 S1161 L1162 | E1154-L1158 PolarHBondContact O-N 3.09Å; Q1155-L1158 PolarHBondContact O-N 3.31Å; L1158-Q1160 VanDerWaalsContact C-N 3.34Å; L1158-Q1160 PolarHBondContact O-N 3.19Å; L1158-S1161 WeakPolarHBondContact O-CB 3.16Å; L1158-S1161 PolarHBondContact O-N 2.87Å; L1158-L1162 HydrophobicContact CD1-CD1 4.26Å; L1158-L1162 HydrophobicContact CD1-CG 4.41Å; L1158-L1162 HydrophobicContact CG-CD1 4.12Å; L1158-L1162 WeakPolarHBondContact O-CG 3.23Å; L1158-L1162 PolarHBondContact O-N 3.2Å |
| 1159 | V | 74.2 | Confident | 76.3 | Confident | 90 Ų | 90 | 91.3 Ų | 91.3 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 177.2 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | Q1155 K1156 T1163 | Q1155-V1159 WeakPolarHBondContact O-CG2 3.33Å; Q1155-V1159 PolarHBondContact O-N 2.91Å; K1156-V1159 PolarHBondContact O-N 2.98Å; V1159-T1163 VanDerWaalsContact O-CB 3.24Å; V1159-T1163 WeakPolarHBondContact O-CB 3.5Å; V1159-T1163 PolarHBondContact O-N 3.09Å; V1159-T1163 PolarHBondContact O-OG1 2.91Å |
| 1160 | Q | 78.4 | Confident | 76.1 | Confident | 140 Ų | 140 | 97.2 Ų | 97.2 | 65% | 0.654 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.3 | -39.4 | 174.1 | -73.7 | 175 | 17.5 | 0 | 0 | 112 | K1156 A1157 L1158 T1163 G1164 | K1156-Q1160 WeakPolarHBondContact O-CB 3.4Å; K1156-Q1160 VanDerWaalsContact O-CG 3.23Å; K1156-Q1160 WeakPolarHBondContact O-CG 3.43Å; K1156-Q1160 PolarHBondContact O-N 2.84Å; A1157-Q1160 PolarHBondContact O-N 3.24Å; L1158-Q1160 VanDerWaalsContact C-N 3.34Å; L1158-Q1160 PolarHBondContact O-N 3.19Å; Q1160-T1163 PolarHBondContact O-N 2.88Å; Q1160-G1164 PolarHBondContact O-N 3.08Å |
| 1161 | S | 82.9 | Confident | 75.8 | Confident | 67 Ų | 67 | 95 Ų | 95 | 47% | 0.469 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.4 | -53.5 | 175 | -170 | 0 | 0 | 0 | 0 | 111.2 | A1157 L1158 T1163 G1164 E1165 | A1157-S1161 VanDerWaalsContact O-CB 3.3Å; A1157-S1161 WeakPolarHBondContact O-CB 3.29Å; A1157-S1161 PolarHBondContact O-N 3.46Å; L1158-S1161 WeakPolarHBondContact O-CB 3.16Å; L1158-S1161 PolarHBondContact O-N 2.87Å; S1161-T1163 VanDerWaalsContact C-N 3.32Å; S1161-T1163 PolarHBondContact O-N 2.97Å; S1161-G1164 CarbonylContact O-C 3.53Å; S1161-G1164 WeakPolarHBondContact O-CA 3.42Å; S1161-G1164 PolarHBondContact O-N 3.08Å; S1161-E1165 PolarHBondContact O-N 3.24Å |
| 1162 | L | 75.4 | Confident | 75.5 | Confident | 88 Ų | 88 | 94.3 Ų | 94.3 | 46% | 0.461 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.9 | -38.2 | 177 | -70.5 | 169.6 | 0 | 0 | 0 | 112.4 | L1158 E1165 L1166 | L1158-L1162 HydrophobicContact CD1-CD1 4.26Å; L1158-L1162 HydrophobicContact CD1-CG 4.41Å; L1158-L1162 HydrophobicContact CG-CD1 4.12Å; L1158-L1162 WeakPolarHBondContact O-CG 3.23Å; L1158-L1162 PolarHBondContact O-N 3.2Å; L1162-E1165 PolarHBondContact O-N 3.48Å; L1162-L1166 WeakPolarHBondContact O-CB 3.36Å; L1162-L1166 VanDerWaalsContact O-CG 3.31Å; L1162-L1166 WeakPolarHBondContact O-CG 3.24Å; L1162-L1166 PolarHBondContact O-N 2.81Å |
| 1163 | T | 81.4 | Confident | 74.8 | Confident | 68 Ų | 68 | 93.3 Ų | 93.3 | 42% | 0.417 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 173.3 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | V1159 Q1160 S1161 L1166 I1167 | V1159-T1163 VanDerWaalsContact O-CB 3.24Å; V1159-T1163 WeakPolarHBondContact O-CB 3.5Å; V1159-T1163 PolarHBondContact O-N 3.09Å; V1159-T1163 PolarHBondContact O-OG1 2.91Å; Q1160-T1163 PolarHBondContact O-N 2.88Å; S1161-T1163 VanDerWaalsContact C-N 3.32Å; S1161-T1163 PolarHBondContact O-N 2.97Å; T1163-L1166 PolarHBondContact O-N 3.38Å; T1163-I1167 HydrophobicContact CG2-CD1 4Å; T1163-I1167 WeakPolarHBondContact O-CB 3.45Å; T1163-I1167 WeakPolarHBondContact O-CD1 3.24Å; T1163-I1167 VanDerWaalsContact O-CG1 3.25Å; T1163-I1167 WeakPolarHBondContact O-CG1 3.44Å; T1163-I1167 PolarHBondContact O-N 2.83Å |
| 1164 | G | 74.3 | Confident | 74.8 | Confident | 29 Ų | 29 | 91 Ų | 91 | 30% | 0.299 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1160 S1161 I1167 L1168 | Q1160-G1164 PolarHBondContact O-N 3.08Å; S1161-G1164 CarbonylContact O-C 3.53Å; S1161-G1164 WeakPolarHBondContact O-CA 3.42Å; S1161-G1164 PolarHBondContact O-N 3.08Å; G1164-I1167 PolarHBondContact O-N 3.06Å; G1164-L1168 WeakPolarHBondContact O-CB 3.46Å; G1164-L1168 VanDerWaalsContact O-CG 3.22Å; G1164-L1168 WeakPolarHBondContact O-CG 3.24Å; G1164-L1168 PolarHBondContact O-N 2.9Å |
| 1165 | E | 74.4 | Confident | 74.5 | Confident | 101 Ų | 101 | 88.8 Ų | 88.8 | 47% | 0.472 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 176.2 | -68.1 | -161.4 | 143.5 | 0 | 0 | 112.3 | S1161 L1162 I1167 L1168 Y1169 | S1161-E1165 PolarHBondContact O-N 3.24Å; L1162-E1165 PolarHBondContact O-N 3.48Å; E1165-I1167 VanDerWaalsContact C-N 3.31Å; E1165-I1167 PolarHBondContact O-N 3.09Å; E1165-L1168 CarbonylContact O-C 3.58Å; E1165-L1168 WeakPolarHBondContact O-CA 3.37Å; E1165-L1168 WeakPolarHBondContact O-CB 3.33Å; E1165-L1168 PolarHBondContact O-N 2.98Å; E1165-Y1169 WeakPolarHBondContact O-CD2 3.39Å; E1165-Y1169 PolarHBondContact O-N 3.36Å |
| 1166 | L | 70.4 | Confident | 74.4 | Confident | 111 Ų | 111 | 85 Ų | 85 | 58% | 0.581 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60.9 | -38.2 | 175.2 | -75.3 | 167.9 | 0 | 0 | 0 | 112.6 | L1162 T1163 R1170 | L1162-L1166 WeakPolarHBondContact O-CB 3.36Å; L1162-L1166 VanDerWaalsContact O-CG 3.31Å; L1162-L1166 WeakPolarHBondContact O-CG 3.24Å; L1162-L1166 PolarHBondContact O-N 2.81Å; T1163-L1166 PolarHBondContact O-N 3.38Å; L1166-R1170 WeakPolarHBondContact O-CB 3.41Å; L1166-R1170 PolarHBondContact O-N 2.94Å; L1166-R1170 VanDerWaalsContact O-N 3.12Å |
| 1167 | I | 77.4 | Confident | 74.3 | Confident | 108 Ų | 108 | 83.5 Ų | 83.5 | 55% | 0.554 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -65.5 | -40.1 | 172.5 | -71 | 166.5 | 0 | 0 | 0 | 110.8 | T1163 G1164 E1165 R1170 A1171 | T1163-I1167 HydrophobicContact CG2-CD1 4Å; T1163-I1167 WeakPolarHBondContact O-CB 3.45Å; T1163-I1167 WeakPolarHBondContact O-CD1 3.24Å; T1163-I1167 VanDerWaalsContact O-CG1 3.25Å; T1163-I1167 WeakPolarHBondContact O-CG1 3.44Å; T1163-I1167 PolarHBondContact O-N 2.83Å; G1164-I1167 PolarHBondContact O-N 3.06Å; E1165-I1167 VanDerWaalsContact C-N 3.31Å; E1165-I1167 PolarHBondContact O-N 3.09Å; I1167-R1170 PolarHBondContact O-N 3.13Å; I1167-A1171 WeakPolarHBondContact O-CB 3.32Å; I1167-A1171 PolarHBondContact O-N 3.17Å |
| 1168 | L | 73.3 | Confident | 74.2 | Confident | 70 Ų | 70 | 87.7 Ų | 87.7 | 37% | 0.366 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 177.6 | -72.9 | 166.1 | 0 | 0 | 0 | 113 | G1164 E1165 R1170 A1171 E1172 R1615 | G1164-L1168 WeakPolarHBondContact O-CB 3.46Å; G1164-L1168 VanDerWaalsContact O-CG 3.22Å; G1164-L1168 WeakPolarHBondContact O-CG 3.24Å; G1164-L1168 PolarHBondContact O-N 2.9Å; E1165-L1168 CarbonylContact O-C 3.58Å; E1165-L1168 WeakPolarHBondContact O-CA 3.37Å; E1165-L1168 WeakPolarHBondContact O-CB 3.33Å; E1165-L1168 PolarHBondContact O-N 2.98Å; L1168-R1170 VanDerWaalsContact C-N 3.33Å; L1168-R1170 PolarHBondContact O-N 3.26Å; L1168-A1171 PolarHBondContact O-N 3.38Å; L1168-E1172 PolarHBondContact O-N 2.89Å; L1168-R1615 VanDerWaalsContact CD2-NH1 3.33Å |
| 1169 | Y | 68.1 | Low | 74 | Confident | 165 Ų | 165 | 88 Ų | 88 | 65% | 0.647 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -60.1 | -44 | 172.9 | -83.9 | -70.7 | 0 | 0 | 0 | 111.3 | E1165 E1172 E1173 | E1165-Y1169 WeakPolarHBondContact O-CD2 3.39Å; E1165-Y1169 PolarHBondContact O-N 3.36Å; Y1169-E1172 PolarHBondContact O-N 3Å; Y1169-E1173 WeakPolarHBondContact O-CB 3.47Å; Y1169-E1173 PolarHBondContact O-N 2.84Å |
| 1170 | R | 72.7 | Confident | 73.9 | Confident | 172 Ų | 172 | 85.9 Ų | 85.9 | 65% | 0.649 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -67.9 | -32.3 | 177.1 | -163 | 176.7 | -170.7 | 166.8 | 1.3 | 113.1 | L1166 I1167 L1168 G1174 | L1166-R1170 WeakPolarHBondContact O-CB 3.41Å; L1166-R1170 PolarHBondContact O-N 2.94Å; L1166-R1170 VanDerWaalsContact O-N 3.12Å; I1167-R1170 PolarHBondContact O-N 3.13Å; L1168-R1170 VanDerWaalsContact C-N 3.33Å; L1168-R1170 PolarHBondContact O-N 3.26Å; R1170-G1174 PolarHBondContact O-N 3.08Å; R1170-G1174 VanDerWaalsContact O-N 3.12Å |
| 1171 | A | 71 | Confident | 73.6 | Confident | 47 Ų | 47 | 84.5 Ų | 84.5 | 39% | 0.388 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -71.2 | -37.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1167 L1168 G1174 R1175 | I1167-A1171 WeakPolarHBondContact O-CB 3.32Å; I1167-A1171 PolarHBondContact O-N 3.17Å; L1168-A1171 PolarHBondContact O-N 3.38Å; A1171-G1174 CarbonylContact O-C 3.59Å; A1171-G1174 PolarHBondContact O-N 3.48Å; A1171-R1175 WeakPolarHBondContact O-CG 3.49Å; A1171-R1175 PolarHBondContact O-N 2.8Å |
| 1172 | E | 69.4 | Low | 73.2 | Confident | 64 Ų | 64 | 87.6 Ų | 87.6 | 30% | 0.299 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -73.7 | -38.1 | 176.1 | -167.5 | 60.1 | -165 | 0 | 0 | 112.2 | L1168 Y1169 G1174 R1175 V1176 R1179 | L1168-E1172 PolarHBondContact O-N 2.89Å; Y1169-E1172 PolarHBondContact O-N 3Å; E1172-G1174 VanDerWaalsContact C-N 3.28Å; E1172-G1174 PolarHBondContact O-N 2.98Å; E1172-R1175 CarbonylContact O-C 3.58Å; E1172-R1175 PolarHBondContact O-N 3.38Å; E1172-R1175 IonicContact OE2-CZ 2.6Å; E1172-R1175 VanDerWaalsContact OE2-CZ 3.23Å; E1172-R1175 IonicContact OE2-NE 3.48Å; E1172-R1175 PolarHBondContact OE2-NE 2.89Å; E1172-R1175 IonicContact OE2-NH2 3.19Å; E1172-R1175 PolarHBondContact OE2-NH2 3.23Å; E1172-V1176 HydrophobicContact CG-CG2 4.29Å; E1172-V1176 WeakPolarHBondContact O-CB 3.46Å; E1172-V1176 WeakPolarHBondContact O-CG2 3.38Å; E1172-V1176 PolarHBondContact O-N 3.42Å; E1172-R1179 IonicContact OE1-CZ 2.68Å; E1172-R1179 IonicContact OE1-NH2 3.93Å; E1172-R1179 PolarHBondContact OE1-NH2 3.39Å; E1172-R1179 IonicContact OE2-NH2 2.73Å |
| 1173 | E | 67.5 | Low | 73.1 | Confident | 61 Ų | 61 | 89.3 Ų | 89.3 | 29% | 0.285 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -47.9 | -53.3 | 164.3 | -178 | -171.3 | -168.1 | 0 | 0 | 109.5 | Y1169 R1175 V1176 V1177 R1242 | Y1169-E1173 WeakPolarHBondContact O-CB 3.47Å; Y1169-E1173 PolarHBondContact O-N 2.84Å; E1173-R1175 VanDerWaalsContact C-N 3.29Å; E1173-R1175 PolarHBondContact O-N 3.44Å; E1173-V1176 PolarHBondContact O-N 2.84Å; E1173-V1177 WeakPolarHBondContact O-CB 3.39Å; E1173-V1177 WeakPolarHBondContact O-CG2 3.34Å; E1173-V1177 PolarHBondContact O-N 3.35Å; E1173-R1242 IonicContact OE1-CZ 2.74Å; E1173-R1242 IonicContact OE1-NH1 3.98Å; E1173-R1242 PolarHBondContact OE1-NH1 3.03Å; E1173-R1242 IonicContact OE2-NH1 3.02Å |
| 1174 | G | 75.9 | Confident | 72.5 | Confident | 28 Ų | 28 | 90.8 Ų | 90.8 | 29% | 0.289 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.5 | -11 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | R1170 A1171 E1172 R1178 | R1170-G1174 PolarHBondContact O-N 3.08Å; R1170-G1174 VanDerWaalsContact O-N 3.12Å; A1171-G1174 CarbonylContact O-C 3.59Å; A1171-G1174 PolarHBondContact O-N 3.48Å; E1172-G1174 VanDerWaalsContact C-N 3.28Å; E1172-G1174 PolarHBondContact O-N 2.98Å; G1174-R1178 PolarHBondContact O-NE 2.79Å; G1174-R1178 PolarHBondContact O-NH2 2.97Å |
| 1175 | R | 69.4 | Low | 72.4 | Confident | 72 Ų | 72 | 91.8 Ų | 91.8 | 27% | 0.272 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -101.5 | -25.2 | 171.6 | -74.2 | -166.6 | -57.8 | -160.3 | 1.4 | 113 | A1171 E1172 E1173 R1179 E1618 | A1171-R1175 WeakPolarHBondContact O-CG 3.49Å; A1171-R1175 PolarHBondContact O-N 2.8Å; E1172-R1175 CarbonylContact O-C 3.58Å; E1172-R1175 PolarHBondContact O-N 3.38Å; E1172-R1175 IonicContact OE2-CZ 2.6Å; E1172-R1175 VanDerWaalsContact OE2-CZ 3.23Å; E1172-R1175 IonicContact OE2-NE 3.48Å; E1172-R1175 PolarHBondContact OE2-NE 2.89Å; E1172-R1175 IonicContact OE2-NH2 3.19Å; E1172-R1175 PolarHBondContact OE2-NH2 3.23Å; E1173-R1175 VanDerWaalsContact C-N 3.29Å; E1173-R1175 PolarHBondContact O-N 3.44Å; R1175-R1179 WeakPolarHBondContact O-CB 3.19Å; R1175-R1179 PolarHBondContact O-N 2.96Å; R1175-R1179 VanDerWaalsContact O-N 3.12Å; R1175-R1179 PolarHBondContact O-NE 2.91Å; R1175-R1179 PolarHBondContact O-NH2 3.07Å; R1175-E1618 IonicContact CZ-OE2 3.37Å; R1175-E1618 IonicContact NH1-OE2 3.46Å; R1175-E1618 PolarHBondContact NH1-OE2 3.33Å |
| 1176 | V | 72.4 | Confident | 72.2 | Confident | 47 Ų | 47 | 90.2 Ų | 90.2 | 29% | 0.285 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -74.1 | -46.2 | 170.9 | 171.3 | 0 | 0 | 0 | 0 | 109.2 | E1172 E1173 R1178 R1179 L1180 | E1172-V1176 HydrophobicContact CG-CG2 4.29Å; E1172-V1176 WeakPolarHBondContact O-CB 3.46Å; E1172-V1176 WeakPolarHBondContact O-CG2 3.38Å; E1172-V1176 PolarHBondContact O-N 3.42Å; E1173-V1176 PolarHBondContact O-N 2.84Å; V1176-R1178 PolarHBondContact O-N 2.96Å; V1176-R1179 PolarHBondContact O-N 3.2Å; V1176-L1180 HydrophobicContact CG1-CD1 3.95Å; V1176-L1180 HydrophobicContact CG1-CG 4.48Å; V1176-L1180 WeakPolarHBondContact O-CB 3.43Å; V1176-L1180 VanDerWaalsContact O-CG 3.29Å; V1176-L1180 WeakPolarHBondContact O-CG 3.14Å; V1176-L1180 PolarHBondContact O-N 3.28Å |
| 1177 | V | 74.8 | Confident | 71.8 | Confident | 64 Ų | 64 | 88.7 Ų | 88.7 | 39% | 0.388 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -56.3 | -51.1 | 172.8 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | E1173 R1179 L1180 E1181 | E1173-V1177 WeakPolarHBondContact O-CB 3.39Å; E1173-V1177 WeakPolarHBondContact O-CG2 3.34Å; E1173-V1177 PolarHBondContact O-N 3.35Å; V1177-R1179 PolarHBondContact O-N 3.07Å; V1177-L1180 CarbonylContact O-C 3.56Å; V1177-L1180 WeakPolarHBondContact O-CB 3.46Å; V1177-L1180 PolarHBondContact O-N 3.07Å; V1177-L1180 VanDerWaalsContact O-N 3.16Å; V1177-E1181 HydrophobicContact CG1-CG 4.29Å; V1177-E1181 WeakPolarHBondContact O-CG 3.36Å; V1177-E1181 PolarHBondContact O-N 3.08Å |
| 1178 | R | 75.7 | Confident | 70.9 | Confident | 143 Ų | 143 | 91 Ų | 91 | 54% | 0.54 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 178.9 | -82.3 | -176.3 | -70.4 | 159.5 | -2.5 | 114.1 | G1174 V1176 L1180 E1181 E1182 | G1174-R1178 PolarHBondContact O-NE 2.79Å; G1174-R1178 PolarHBondContact O-NH2 2.97Å; V1176-R1178 PolarHBondContact O-N 2.96Å; R1178-L1180 VanDerWaalsContact C-N 3.31Å; R1178-L1180 PolarHBondContact O-N 2.77Å; R1178-E1181 PolarHBondContact O-N 3.45Å; R1178-E1182 WeakPolarHBondContact O-CB 3.36Å; R1178-E1182 WeakPolarHBondContact O-CG 3.36Å; R1178-E1182 PolarHBondContact O-N 3.22Å |
| 1179 | R | 75.7 | Confident | 70 | Confident | 113 Ų | 113 | 95.6 Ų | 95.6 | 43% | 0.426 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 174 | -85.5 | 174.3 | -70.1 | 176.1 | -3.2 | 112.2 | E1172 R1175 V1176 V1177 Q1183 | E1172-R1179 IonicContact OE1-CZ 2.68Å; E1172-R1179 IonicContact OE1-NH2 3.93Å; E1172-R1179 PolarHBondContact OE1-NH2 3.39Å; E1172-R1179 IonicContact OE2-NH2 2.73Å; R1175-R1179 WeakPolarHBondContact O-CB 3.19Å; R1175-R1179 PolarHBondContact O-N 2.96Å; R1175-R1179 VanDerWaalsContact O-N 3.12Å; R1175-R1179 PolarHBondContact O-NE 2.91Å; R1175-R1179 PolarHBondContact O-NH2 3.07Å; V1176-R1179 PolarHBondContact O-N 3.2Å; V1177-R1179 PolarHBondContact O-N 3.07Å; R1179-Q1183 WeakPolarHBondContact O-CB 3.27Å; R1179-Q1183 VanDerWaalsContact O-CG 3.23Å; R1179-Q1183 WeakPolarHBondContact O-CG 3.42Å; R1179-Q1183 PolarHBondContact O-N 3.03Å |
| 1180 | L | 70.7 | Confident | 69.2 | Low | 46 Ų | 46 | 92.5 Ų | 92.5 | 24% | 0.241 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -68.3 | -39.1 | 173.7 | -71.1 | 172.8 | 0 | 0 | 0 | 111.4 | V1176 V1177 R1178 Q1183 L1184 L1228 | V1176-L1180 HydrophobicContact CG1-CD1 3.95Å; V1176-L1180 HydrophobicContact CG1-CG 4.48Å; V1176-L1180 WeakPolarHBondContact O-CB 3.43Å; V1176-L1180 VanDerWaalsContact O-CG 3.29Å; V1176-L1180 WeakPolarHBondContact O-CG 3.14Å; V1176-L1180 PolarHBondContact O-N 3.28Å; V1177-L1180 CarbonylContact O-C 3.56Å; V1177-L1180 WeakPolarHBondContact O-CB 3.46Å; V1177-L1180 PolarHBondContact O-N 3.07Å; V1177-L1180 VanDerWaalsContact O-N 3.16Å; R1178-L1180 VanDerWaalsContact C-N 3.31Å; R1178-L1180 PolarHBondContact O-N 2.77Å; L1180-Q1183 PolarHBondContact O-N 3.23Å; L1180-L1184 WeakPolarHBondContact O-CB 3.47Å; L1180-L1184 WeakPolarHBondContact O-CD1 3.1Å; L1180-L1184 WeakPolarHBondContact O-CG 3.37Å; L1180-L1184 PolarHBondContact O-N 3.38Å; L1180-L1228 HydrophobicContact CD2-CD2 3.67Å |
| 1181 | E | 73.1 | Confident | 68.3 | Low | 110 Ų | 110 | 86.3 Ų | 86.3 | 51% | 0.514 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67 | -38.6 | 174.5 | -73 | -178.1 | 131.5 | 0 | 0 | 112.7 | V1177 R1178 S1185 | V1177-E1181 HydrophobicContact CG1-CG 4.29Å; V1177-E1181 WeakPolarHBondContact O-CG 3.36Å; V1177-E1181 PolarHBondContact O-N 3.08Å; R1178-E1181 PolarHBondContact O-N 3.45Å; E1181-S1185 WeakPolarHBondContact O-CB 3.43Å; E1181-S1185 PolarHBondContact O-N 2.97Å; E1181-S1185 PolarHBondContact O-OG 3.03Å |
| 1182 | E | 74.4 | Confident | 67.2 | Low | 133 Ų | 133 | 92 Ų | 92 | 62% | 0.621 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66.8 | -45.1 | 173.3 | -75.6 | 178.5 | 146 | 0 | 0 | 111.3 | R1178 S1185 A1186 | R1178-E1182 WeakPolarHBondContact O-CB 3.36Å; R1178-E1182 WeakPolarHBondContact O-CG 3.36Å; R1178-E1182 PolarHBondContact O-N 3.22Å; E1182-S1185 PolarHBondContact O-N 2.99Å; E1182-S1185 VanDerWaalsContact O-N 3.14Å; E1182-A1186 WeakPolarHBondContact O-CB 3.09Å; E1182-A1186 PolarHBondContact O-N 3.22Å |
| 1183 | Q | 72.8 | Confident | 66.7 | Low | 124 Ų | 124 | 93.8 Ų | 93.8 | 58% | 0.579 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.7 | -39.5 | 174.8 | -73.6 | 175.8 | -3.2 | 0 | 0 | 112 | R1179 L1180 S1185 T1187 | R1179-Q1183 WeakPolarHBondContact O-CB 3.27Å; R1179-Q1183 VanDerWaalsContact O-CG 3.23Å; R1179-Q1183 WeakPolarHBondContact O-CG 3.42Å; R1179-Q1183 PolarHBondContact O-N 3.03Å; L1180-Q1183 PolarHBondContact O-N 3.23Å; Q1183-S1185 VanDerWaalsContact C-N 3.3Å; Q1183-S1185 PolarHBondContact O-N 3.4Å; Q1183-T1187 WeakPolarHBondContact O-CB 3.39Å; Q1183-T1187 WeakPolarHBondContact O-CG2 3.44Å; Q1183-T1187 PolarHBondContact O-N 3Å; Q1183-T1187 PolarHBondContact O-OG1 3.08Å |
| 1184 | L | 69.7 | Low | 66.3 | Low | 99 Ų | 99 | 94.7 Ų | 94.7 | 52% | 0.518 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.3 | -27 | 172.5 | -75.3 | 166.7 | 0 | 0 | 0 | 112.4 | L1180 T1187 K1188 | L1180-L1184 WeakPolarHBondContact O-CB 3.47Å; L1180-L1184 WeakPolarHBondContact O-CD1 3.1Å; L1180-L1184 WeakPolarHBondContact O-CG 3.37Å; L1180-L1184 PolarHBondContact O-N 3.38Å; L1184-T1187 WeakPolarHBondContact CA-OG1 3.37Å; L1184-T1187 PolarHBondContact O-OG1 3.03Å; L1184-K1188 WeakPolarHBondContact O-CB 3.42Å; L1184-K1188 WeakPolarHBondContact O-CD 3.42Å; L1184-K1188 WeakPolarHBondContact O-CG 3.28Å; L1184-K1188 PolarHBondContact O-N 2.66Å |
| 1185 | S | 72.7 | Confident | 65.4 | Low | 50 Ų | 50 | 98.4 Ų | 98.4 | 35% | 0.35 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -83.5 | -40.6 | 177.9 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | E1181 E1182 Q1183 T1187 K1188 H1189 | E1181-S1185 WeakPolarHBondContact O-CB 3.43Å; E1181-S1185 PolarHBondContact O-N 2.97Å; E1181-S1185 PolarHBondContact O-OG 3.03Å; E1182-S1185 PolarHBondContact O-N 2.99Å; E1182-S1185 VanDerWaalsContact O-N 3.14Å; Q1183-S1185 VanDerWaalsContact C-N 3.3Å; Q1183-S1185 PolarHBondContact O-N 3.4Å; S1185-T1187 VanDerWaalsContact C-N 3.27Å; S1185-T1187 PolarHBondContact O-N 3.22Å; S1185-K1188 PolarHBondContact O-N 2.93Å; S1185-H1189 PolarHBondContact O-CD2 2.81Å; S1185-H1189 PolarHBondContact O-N 3.49Å |
| 1186 | A | 68.3 | Low | 65 | Low | 68 Ų | 68 | 99.4 Ų | 99.4 | 56% | 0.562 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.6 | -38.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1182 | E1182-A1186 WeakPolarHBondContact O-CB 3.09Å; E1182-A1186 PolarHBondContact O-N 3.22Å |
| 1187 | T | 63 | Low | 64.2 | Low | 79 Ų | 79 | 100.3 Ų | 100.3 | 49% | 0.485 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -79.3 | -24 | 175.4 | 50.6 | 0 | 0 | 0 | 0 | 114.3 | Q1183 L1184 S1185 H1189 L1190 | Q1183-T1187 WeakPolarHBondContact O-CB 3.39Å; Q1183-T1187 WeakPolarHBondContact O-CG2 3.44Å; Q1183-T1187 PolarHBondContact O-N 3Å; Q1183-T1187 PolarHBondContact O-OG1 3.08Å; L1184-T1187 WeakPolarHBondContact CA-OG1 3.37Å; L1184-T1187 PolarHBondContact O-OG1 3.03Å; S1185-T1187 VanDerWaalsContact C-N 3.27Å; S1185-T1187 PolarHBondContact O-N 3.22Å; T1187-H1189 PolarHBondContact O-N 3.14Å; T1187-L1190 PolarHBondContact O-N 2.82Å; T1187-L1190 VanDerWaalsContact O-N 3.15Å |
| 1188 | K | 59.3 | Low | 63.3 | Low | 156 Ų | 156 | 102 Ų | 102 | 68% | 0.678 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.6 | -20.6 | 169 | -82.9 | 164.1 | -163 | 165.6 | 0 | 113.5 | L1184 S1185 | L1184-K1188 WeakPolarHBondContact O-CB 3.42Å; L1184-K1188 WeakPolarHBondContact O-CD 3.42Å; L1184-K1188 WeakPolarHBondContact O-CG 3.28Å; L1184-K1188 PolarHBondContact O-N 2.66Å; S1185-K1188 PolarHBondContact O-N 2.93Å |
| 1189 | H | 53 | Low | 62.3 | Low | 166 Ų | 166 | 100 Ų | 100 | 77% | 0.769 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -9.7 | 175.4 | -71.1 | -66.9 | 0 | 0 | 0 | 114.3 | S1185 T1187 S1191 | S1185-H1189 PolarHBondContact O-CD2 2.81Å; S1185-H1189 PolarHBondContact O-N 3.49Å; T1187-H1189 PolarHBondContact O-N 3.14Å; H1189-S1191 PolarHBondContact O-N 2.79Å |
| 1190 | L | 52 | Low | 61 | Low | 100 Ų | 100 | 101.2 Ų | 101.2 | 52% | 0.524 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -80 | 107.4 | 165.3 | -73.7 | 163.8 | 0 | 0 | 0 | 108.1 | T1187 | T1187-L1190 PolarHBondContact O-N 2.82Å; T1187-L1190 VanDerWaalsContact O-N 3.15Å |
| 1191 | S | 53.6 | Low | 60.1 | Low | 42 Ų | 42 | 105.5 Ų | 105.5 | 29% | 0.294 | 57% | 0.57 | S | S | . | * | trans | -68.7 | 150.6 | -177.9 | 80.6 | 0 | 0 | 0 | 0 | 110.7 | H1189 T1193 D1194 L1195 | H1189-S1191 PolarHBondContact O-N 2.79Å; S1191-T1193 WeakPolarHBondContact CB-OG1 3.33Å; S1191-T1193 PolarHBondContact O-N 2.8Å; S1191-T1193 VanDerWaalsContact O-N 3.13Å; S1191-T1193 PolarHBondContact OG-OG1 3.44Å; S1191-D1194 WeakPolarHBondContact CB-OD2 3.13Å; S1191-D1194 PolarHBondContact N-OD2 3.22Å; S1191-D1194 PolarHBondContact O-N 3.36Å; S1191-D1194 PolarHBondContact OG-N 3.44Å; S1191-D1194 VanDerWaalsContact OG-N 3.16Å; S1191-D1194 PolarHBondContact OG-OD2 3.16Å; S1191-L1195 PolarHBondContact O-N 2.92Å | ||
| 1192 | F | 47.3 | Very low | 59.2 | Low | 166 Ų | 166 | 102.5 Ų | 102.5 | 73% | 0.728 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -57.8 | -28.5 | 175.2 | -164.2 | -104 | 0 | 0 | 0 | 111.6 | L1196 | F1192-L1196 HydrophobicContact CD1-CD1 3.76Å; F1192-L1196 HydrophobicContact CE1-CD1 3.75Å; F1192-L1196 VanDerWaalsContact O-CG 3.31Å; F1192-L1196 WeakPolarHBondContact O-CG 3.43Å; F1192-L1196 PolarHBondContact O-N 3.12Å |
| 1193 | T | 59.1 | Low | 58.2 | Low | 102 Ų | 102 | 102.4 Ų | 102.4 | 63% | 0.626 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.7 | -39.7 | 170.8 | 15.9 | 0 | 0 | 0 | 0 | 113.8 | S1191 L1196 S1197 | S1191-T1193 WeakPolarHBondContact CB-OG1 3.33Å; S1191-T1193 PolarHBondContact O-N 2.8Å; S1191-T1193 VanDerWaalsContact O-N 3.13Å; S1191-T1193 PolarHBondContact OG-OG1 3.44Å; T1193-L1196 PolarHBondContact O-N 3Å; T1193-S1197 PolarHBondContact O-N 2.97Å |
| 1194 | D | 59.8 | Low | 57.3 | Low | 81 Ų | 81 | 103.1 Ų | 103.1 | 43% | 0.433 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.4 | -42.9 | 179.7 | -58.3 | -50.4 | 0 | 0 | 0 | 110.8 | S1191 L1196 S1197 | S1191-D1194 WeakPolarHBondContact CB-OD2 3.13Å; S1191-D1194 PolarHBondContact N-OD2 3.22Å; S1191-D1194 PolarHBondContact O-N 3.36Å; S1191-D1194 PolarHBondContact OG-N 3.44Å; S1191-D1194 VanDerWaalsContact OG-N 3.16Å; S1191-D1194 PolarHBondContact OG-OD2 3.16Å; D1194-L1196 VanDerWaalsContact C-N 3.26Å; D1194-L1196 PolarHBondContact O-N 3.17Å; D1194-S1197 WeakPolarHBondContact O-CB 3.43Å; D1194-S1197 PolarHBondContact O-N 3.31Å; D1194-S1197 PolarHBondContact O-OG 3.16Å |
| 1195 | L | 56.9 | Low | 56.3 | Low | 106 Ų | 106 | 101.7 Ų | 101.7 | 56% | 0.555 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63 | -29.4 | 175 | -82 | 161.7 | 0 | 0 | 0 | 113.2 | S1191 | S1191-L1195 PolarHBondContact O-N 2.92Å |
| 1196 | L | 60 | Low | 55.3 | Low | 92 Ų | 92 | 110 Ų | 110 | 48% | 0.482 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -82.3 | -29.2 | 174.7 | -72.2 | 171 | 0 | 0 | 0 | 113.2 | F1192 T1193 D1194 V1198 T1199 | F1192-L1196 HydrophobicContact CD1-CD1 3.76Å; F1192-L1196 HydrophobicContact CE1-CD1 3.75Å; F1192-L1196 VanDerWaalsContact O-CG 3.31Å; F1192-L1196 WeakPolarHBondContact O-CG 3.43Å; F1192-L1196 PolarHBondContact O-N 3.12Å; T1193-L1196 PolarHBondContact O-N 3Å; D1194-L1196 VanDerWaalsContact C-N 3.26Å; D1194-L1196 PolarHBondContact O-N 3.17Å; L1196-V1198 PolarHBondContact O-N 2.86Å; L1196-V1198 VanDerWaalsContact O-N 3.13Å; L1196-T1199 PolarHBondContact O-N 2.82Å; L1196-T1199 VanDerWaalsContact O-N 3.14Å; L1196-T1199 PolarHBondContact O-OG1 3.39Å |
| 1197 | S | 56.5 | Low | 54.2 | Low | 67 Ų | 67 | 113 Ų | 113 | 47% | 0.469 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -56.9 | -30.7 | -177.8 | 76.3 | 0 | 0 | 0 | 0 | 113.7 | T1193 D1194 T1199 N1200 | T1193-S1197 PolarHBondContact O-N 2.97Å; D1194-S1197 WeakPolarHBondContact O-CB 3.43Å; D1194-S1197 PolarHBondContact O-N 3.31Å; D1194-S1197 PolarHBondContact O-OG 3.16Å; S1197-T1199 PolarHBondContact O-N 2.84Å; S1197-N1200 PolarHBondContact O-N 3.46Å |
| 1198 | V | 55.7 | Low | 53.6 | Low | 98 Ų | 98 | 113.1 Ų | 113.1 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -9.7 | -178.9 | -174.2 | 0 | 0 | 0 | 0 | 113.1 | L1196 | L1196-V1198 PolarHBondContact O-N 2.86Å; L1196-V1198 VanDerWaalsContact O-N 3.13Å |
| 1199 | T | 53.9 | Low | 53.5 | Low | 101 Ų | 101 | 115.6 Ų | 115.6 | 62% | 0.62 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -7.5 | -177.2 | 62.5 | 0 | 0 | 0 | 0 | 115.5 | L1196 S1197 V1201 | L1196-T1199 PolarHBondContact O-N 2.82Å; L1196-T1199 VanDerWaalsContact O-N 3.14Å; L1196-T1199 PolarHBondContact O-OG1 3.39Å; S1197-T1199 PolarHBondContact O-N 2.84Å; T1199-V1201 PolarHBondContact O-N 3.01Å |
| 1200 | N | 49.2 | Very low | 53.7 | Low | 139 Ų | 139 | 110.8 Ų | 110.8 | 74% | 0.743 | 64% | 0.639 | S | S | * | * | trans | -80.8 | 106.1 | -175.8 | -76.2 | -38.2 | 0 | 0 | 0 | 112.6 | S1197 G1202 | S1197-N1200 PolarHBondContact O-N 3.46Å; N1200-G1202 PolarHBondContact O-N 3.23Å | ||
| 1201 | V | 52 | Low | 53.9 | Low | 137 Ų | 137 | 110 Ų | 110 | 83% | 0.83 | 64% | 0.642 | S | S | * | * | trans | -73.2 | 114.8 | 174.5 | 179 | 0 | 0 | 0 | 0 | 110.1 | T1199 | T1199-V1201 PolarHBondContact O-N 3.01Š| ||
| 1202 | G | 53.5 | Low | 54.4 | Low | 47 Ų | 47 | 118.3 Ų | 118.3 | 49% | 0.485 | 67% | 0.667 | S | S | . | * | trans | -66.5 | 151 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N1200 D1204 | N1200-G1202 PolarHBondContact O-N 3.23Å; G1202-D1204 PolarHBondContact O-N 2.86Å; G1202-D1204 VanDerWaalsContact O-N 3.12Å | ||
| 1203 | P | 54.6 | Low | 55.4 | Low | 130 Ų | 130 | 115.8 Ų | 115.8 | 84% | 0.844 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -17.5 | -168.2 | 25.8 | -35.4 | 0 | 0 | 0 | 115.4 | G1205 | P1203-G1205 VanDerWaalsContact C-N 3.28Å; P1203-G1205 PolarHBondContact O-N 3.4Å |
| 1204 | D | 54 | Low | 55.9 | Low | 139 Ų | 139 | 113.2 Ų | 113.2 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 6.4 | -170.3 | -57.5 | -41 | 0 | 0 | 0 | 115.1 | G1202 R1206 | G1202-D1204 PolarHBondContact O-N 2.86Å; G1202-D1204 VanDerWaalsContact O-N 3.12Å; D1204-R1206 PolarHBondContact O-N 3.2Å |
| 1205 | G | 48 | Very low | 56.5 | Low | 69 Ų | 69 | 114.7 Ų | 114.7 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | trans | 66 | 6.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | P1203 | P1203-G1205 VanDerWaalsContact C-N 3.28Å; P1203-G1205 PolarHBondContact O-N 3.4Å | ||
| 1206 | R | 52 | Low | 57.4 | Low | 225 Ų | 225 | 115.3 Ų | 115.3 | 85% | 0.849 | 66% | 0.658 | S | S | * | * | trans | -95.6 | 123.3 | 179.9 | -67 | 179.9 | -172.2 | -117.3 | 2.2 | 111.2 | D1204 A1208 | D1204-R1206 PolarHBondContact O-N 3.2Å; R1206-A1208 PolarHBondContact O-N 2.9Å | ||
| 1207 | P | 45.4 | Very low | 58.1 | Low | 130 Ų | 130 | 116 Ų | 116 | 84% | 0.844 | 66% | 0.662 | S | S | * | * | trans | -71.9 | 102.9 | 178.7 | 28.4 | -33.6 | 0 | 0 | 0 | 111 | ||||
| 1208 | A | 49.4 | Very low | 59 | Low | 83 Ų | 83 | 122.2 Ų | 122.2 | 69% | 0.686 | 68% | 0.675 | S | S | * | * | trans | -63.5 | 155.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1206 S1210 | R1206-A1208 PolarHBondContact O-N 2.9Å; A1208-S1210 PolarHBondContact O-N 2.86Å | ||
| 1209 | K | 56.5 | Low | 60.1 | Low | 207 Ų | 207 | 123 Ų | 123 | 90% | 0.9 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 9.6 | -167.4 | -61.7 | 177.5 | 179.9 | 175.9 | 0 | 115.9 | S1211 | K1209-S1211 PolarHBondContact O-N 3.31Š|
| 1210 | S | 57.3 | Low | 61.2 | Low | 66 Ų | 66 | 121.6 Ų | 121.6 | 46% | 0.462 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.5 | -21.1 | -173.9 | -165.1 | 0 | 0 | 0 | 0 | 114.9 | A1208 R1212 N1213 S1214 | A1208-S1210 PolarHBondContact O-N 2.86Å; S1210-R1212 VanDerWaalsContact C-N 3.26Å; S1210-R1212 PolarHBondContact O-N 2.94Å; S1210-N1213 PolarHBondContact O-N 3.45Å; S1210-S1214 PolarHBondContact O-N 3.27Å; S1210-S1214 VanDerWaalsContact O-N 3.11Å |
| 1211 | S | 56.5 | Low | 62.6 | Low | 84 Ų | 84 | 120.4 Ų | 120.4 | 59% | 0.587 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -54.8 | -38.1 | -178 | -178.1 | 0 | 0 | 0 | 0 | 113.6 | K1209 N1213 S1214 L1215 | K1209-S1211 PolarHBondContact O-N 3.31Å; S1211-N1213 VanDerWaalsContact C-N 3.31Å; S1211-N1213 PolarHBondContact O-N 3.14Å; S1211-S1214 PolarHBondContact O-N 2.93Å; S1211-S1214 PolarHBondContact O-OG 3.32Å; S1211-L1215 PolarHBondContact O-N 3.03Å; S1211-L1215 VanDerWaalsContact O-N 3.09Å |
| 1212 | R | 64 | Low | 64.1 | Low | 215 Ų | 215 | 118 Ų | 118 | 81% | 0.811 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.7 | -32.6 | -180 | -149.1 | 171.2 | -168 | 148.8 | 2.8 | 112.3 | S1210 L1216 | S1210-R1212 VanDerWaalsContact C-N 3.26Å; S1210-R1212 PolarHBondContact O-N 2.94Å; R1212-L1216 WeakPolarHBondContact O-CB 3.45Å; R1212-L1216 PolarHBondContact O-N 3.36Å; R1212-L1216 VanDerWaalsContact O-N 3.16Å |
| 1213 | N | 69.7 | Low | 65.3 | Low | 113 Ų | 113 | 118.5 Ų | 118.5 | 60% | 0.604 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -76.4 | -39.4 | 177.9 | -67.5 | 7.8 | 0 | 0 | 0 | 111.4 | S1210 S1211 L1215 L1216 L1217 | S1210-N1213 PolarHBondContact O-N 3.45Å; S1211-N1213 VanDerWaalsContact C-N 3.31Å; S1211-N1213 PolarHBondContact O-N 3.14Å; N1213-L1215 VanDerWaalsContact C-N 3.34Å; N1213-L1215 PolarHBondContact O-N 3.2Å; N1213-L1216 PolarHBondContact O-N 3.36Å; N1213-L1217 VanDerWaalsContact O-CB 3.27Å; N1213-L1217 WeakPolarHBondContact O-CB 3.34Å; N1213-L1217 PolarHBondContact O-N 3.29Å |
| 1214 | S | 68.6 | Low | 66.4 | Low | 49 Ų | 49 | 115.4 Ų | 115.4 | 34% | 0.343 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70 | -30.5 | 177.3 | 69.9 | 0 | 0 | 0 | 0 | 112.9 | S1210 S1211 R1218 | S1210-S1214 PolarHBondContact O-N 3.27Å; S1210-S1214 VanDerWaalsContact O-N 3.11Å; S1211-S1214 PolarHBondContact O-N 2.93Å; S1211-S1214 PolarHBondContact O-OG 3.32Å; S1214-R1218 WeakPolarHBondContact O-CB 3.29Å; S1214-R1218 WeakPolarHBondContact O-CG 3.49Å; S1214-R1218 PolarHBondContact O-N 2.91Å |
| 1215 | L | 73.3 | Confident | 67.5 | Low | 112 Ų | 112 | 111.9 Ų | 111.9 | 59% | 0.586 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.2 | -43.8 | 172.5 | -131.3 | 170.6 | 0 | 0 | 0 | 111.7 | S1211 N1213 R1218 H1219 | S1211-L1215 PolarHBondContact O-N 3.03Å; S1211-L1215 VanDerWaalsContact O-N 3.09Å; N1213-L1215 VanDerWaalsContact C-N 3.34Å; N1213-L1215 PolarHBondContact O-N 3.2Å; L1215-R1218 PolarHBondContact O-N 2.86Å; L1215-H1219 PolarHBondContact O-N 2.85Å |
| 1216 | L | 75.3 | Confident | 69.1 | Low | 119 Ų | 119 | 116.2 Ų | 116.2 | 62% | 0.623 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.6 | -45.2 | 174.5 | -171.2 | 70.2 | 0 | 0 | 0 | 111.5 | R1212 N1213 R1218 H1219 T1220 | R1212-L1216 WeakPolarHBondContact O-CB 3.45Å; R1212-L1216 PolarHBondContact O-N 3.36Å; R1212-L1216 VanDerWaalsContact O-N 3.16Å; N1213-L1216 PolarHBondContact O-N 3.36Å; L1216-R1218 PolarHBondContact O-N 3.42Å; L1216-H1219 PolarHBondContact O-N 2.91Å; L1216-T1220 PolarHBondContact O-N 3.48Å; L1216-T1220 PolarHBondContact O-OG1 2.98Å |
| 1217 | L | 73.7 | Confident | 70.5 | Confident | 107 Ų | 107 | 111.3 Ų | 111.3 | 56% | 0.56 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.5 | -38.3 | 177.4 | -165.3 | 74.3 | 0 | 0 | 0 | 112 | N1213 H1219 T1220 L1221 | N1213-L1217 VanDerWaalsContact O-CB 3.27Å; N1213-L1217 WeakPolarHBondContact O-CB 3.34Å; N1213-L1217 PolarHBondContact O-N 3.29Å; L1217-H1219 VanDerWaalsContact C-N 3.35Å; L1217-T1220 PolarHBondContact O-OG1 2.74Å; L1217-L1221 VanDerWaalsContact O-CB 3.25Å; L1217-L1221 WeakPolarHBondContact O-CB 3.41Å; L1217-L1221 PolarHBondContact O-N 3.38Å |
| 1218 | R | 76.6 | Confident | 72 | Confident | 197 Ų | 197 | 109.2 Ų | 109.2 | 74% | 0.743 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.6 | -36.9 | 173 | -85.4 | -178.5 | 169.9 | -172.3 | -2.3 | 112.8 | S1214 L1215 L1216 N1222 | S1214-R1218 WeakPolarHBondContact O-CB 3.29Å; S1214-R1218 WeakPolarHBondContact O-CG 3.49Å; S1214-R1218 PolarHBondContact O-N 2.91Å; L1215-R1218 PolarHBondContact O-N 2.86Å; L1216-R1218 PolarHBondContact O-N 3.42Å; R1218-N1222 WeakPolarHBondContact O-CB 3.31Å; R1218-N1222 PolarHBondContact O-N 3.12Å; R1218-N1222 VanDerWaalsContact O-N 3.07Å |
| 1219 | H | 79 | Confident | 73.6 | Confident | 113 Ų | 113 | 110 Ų | 110 | 52% | 0.523 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.6 | -50.9 | 178.7 | -144.5 | -63.3 | 0 | 0 | 0 | 110.6 | L1215 L1216 L1217 L1221 N1222 D1223 | L1215-H1219 PolarHBondContact O-N 2.85Å; L1216-H1219 PolarHBondContact O-N 2.91Å; L1217-H1219 VanDerWaalsContact C-N 3.35Å; H1219-L1221 VanDerWaalsContact C-N 3.3Å; H1219-L1221 PolarHBondContact O-N 2.88Å; H1219-N1222 PolarHBondContact O-N 3.07Å; H1219-N1222 VanDerWaalsContact O-N 3.08Å; H1219-D1223 IonicContact CE1-OD2 3.55Å; H1219-D1223 PolarHBondContact CE1-OD2 3.21Å; H1219-D1223 IonicContact CG-OD2 3.53Å; H1219-D1223 IonicContact ND1-OD1 3.14Å; H1219-D1223 IonicContact ND1-OD2 2.67Å; H1219-D1223 PolarHBondContact ND1-OD2 2.89Å; H1219-D1223 PolarHBondContact O-N 3.21Å; H1219-D1223 VanDerWaalsContact O-OD2 3.11Å |
| 1220 | T | 76.6 | Confident | 74.8 | Confident | 73 Ų | 73 | 105 Ų | 105 | 45% | 0.448 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -34.6 | 177 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | L1216 L1217 T1224 | L1216-T1220 PolarHBondContact O-N 3.48Å; L1216-T1220 PolarHBondContact O-OG1 2.98Å; L1217-T1220 PolarHBondContact O-OG1 2.74Å; T1220-T1224 WeakPolarHBondContact O-CB 3.29Å; T1220-T1224 WeakPolarHBondContact O-CG2 3.37Å; T1220-T1224 PolarHBondContact O-N 2.69Å; T1220-T1224 PolarHBondContact O-OG1 2.87Å |
| 1221 | L | 79.3 | Confident | 75.7 | Confident | 114 Ų | 114 | 105.6 Ų | 105.6 | 60% | 0.597 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.6 | -40.1 | 172.8 | -159.8 | 89.1 | 0 | 0 | 0 | 112.3 | L1217 H1219 T1224 C1225 | L1217-L1221 VanDerWaalsContact O-CB 3.25Å; L1217-L1221 WeakPolarHBondContact O-CB 3.41Å; L1217-L1221 PolarHBondContact O-N 3.38Å; H1219-L1221 VanDerWaalsContact C-N 3.3Å; H1219-L1221 PolarHBondContact O-N 2.88Å; L1221-T1224 WeakPolarHBondContact CA-OG1 3.4Å; L1221-T1224 PolarHBondContact O-OG1 3.15Å; L1221-T1224 VanDerWaalsContact O-OG1 3.06Å; L1221-C1225 WeakPolarHBondContact O-CB 3.47Å; L1221-C1225 PolarHBondContact O-N 2.83Å; L1221-C1225 PolarHBondContact O-SG 3.38Å |
| 1222 | N | 83.5 | Confident | 77 | Confident | 87 Ų | 87 | 109.4 Ų | 109.4 | 47% | 0.465 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.9 | -43.6 | 177.9 | -166.8 | -5.6 | 0 | 0 | 0 | 111.4 | R1218 H1219 C1225 R1226 | R1218-N1222 WeakPolarHBondContact O-CB 3.31Å; R1218-N1222 PolarHBondContact O-N 3.12Å; R1218-N1222 VanDerWaalsContact O-N 3.07Å; H1219-N1222 PolarHBondContact O-N 3.07Å; H1219-N1222 VanDerWaalsContact O-N 3.08Å; N1222-C1225 PolarHBondContact O-N 3.43Å; N1222-R1226 WeakPolarHBondContact O-CG 3.39Å; N1222-R1226 PolarHBondContact O-N 2.73Å |
| 1223 | D | 78.2 | Confident | 77.9 | Confident | 57 Ų | 57 | 105.5 Ų | 105.5 | 31% | 0.305 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67 | -38.8 | 178.2 | -65 | -41.4 | 0 | 0 | 0 | 112.1 | H1219 R1226 Q1227 | H1219-D1223 IonicContact CE1-OD2 3.55Å; H1219-D1223 PolarHBondContact CE1-OD2 3.21Å; H1219-D1223 IonicContact CG-OD2 3.53Å; H1219-D1223 IonicContact ND1-OD1 3.14Å; H1219-D1223 IonicContact ND1-OD2 2.67Å; H1219-D1223 PolarHBondContact ND1-OD2 2.89Å; H1219-D1223 PolarHBondContact O-N 3.21Å; H1219-D1223 VanDerWaalsContact O-OD2 3.11Å; D1223-R1226 PolarHBondContact O-N 3.5Å; D1223-Q1227 WeakPolarHBondContact O-CG 3.47Å; D1223-Q1227 PolarHBondContact O-N 2.79Å |
| 1224 | T | 76.9 | Confident | 78.3 | Confident | 64 Ų | 64 | 107.2 Ų | 107.2 | 39% | 0.393 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 171.9 | 48.5 | 0 | 0 | 0 | 0 | 112.1 | T1220 L1221 R1226 Q1227 L1228 | T1220-T1224 WeakPolarHBondContact O-CB 3.29Å; T1220-T1224 WeakPolarHBondContact O-CG2 3.37Å; T1220-T1224 PolarHBondContact O-N 2.69Å; T1220-T1224 PolarHBondContact O-OG1 2.87Å; L1221-T1224 WeakPolarHBondContact CA-OG1 3.4Å; L1221-T1224 PolarHBondContact O-OG1 3.15Å; L1221-T1224 VanDerWaalsContact O-OG1 3.06Å; T1224-R1226 VanDerWaalsContact C-N 3.34Å; T1224-R1226 PolarHBondContact O-N 3.06Å; T1224-Q1227 PolarHBondContact O-N 3.49Å; T1224-L1228 WeakPolarHBondContact O-CB 3.33Å; T1224-L1228 VanDerWaalsContact O-CG 3.29Å; T1224-L1228 WeakPolarHBondContact O-CG 3.29Å; T1224-L1228 PolarHBondContact O-N 3.44Å |
| 1225 | C | 78 | Confident | 78.8 | Confident | 65 Ų | 65 | 108.9 Ų | 108.9 | 44% | 0.439 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 171.5 | -76.3 | 0 | 0 | 0 | 0 | 112.6 | L1221 N1222 L1228 V1229 | L1221-C1225 WeakPolarHBondContact O-CB 3.47Å; L1221-C1225 PolarHBondContact O-N 2.83Å; L1221-C1225 PolarHBondContact O-SG 3.38Å; N1222-C1225 PolarHBondContact O-N 3.43Å; C1225-L1228 PolarHBondContact O-N 2.78Å; C1225-V1229 WeakPolarHBondContact O-CG2 3.3Å; C1225-V1229 PolarHBondContact O-N 2.89Å |
| 1226 | R | 80.8 | Confident | 79.1 | Confident | 160 Ų | 160 | 107.2 Ų | 107.2 | 60% | 0.604 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.6 | -43.3 | 175 | -76.1 | 173.9 | 165 | -160.8 | -8.2 | 112.2 | N1222 D1223 T1224 V1229 L1230 | N1222-R1226 WeakPolarHBondContact O-CG 3.39Å; N1222-R1226 PolarHBondContact O-N 2.73Å; D1223-R1226 PolarHBondContact O-N 3.5Å; T1224-R1226 VanDerWaalsContact C-N 3.34Å; T1224-R1226 PolarHBondContact O-N 3.06Å; R1226-V1229 PolarHBondContact O-N 3.48Å; R1226-L1230 WeakPolarHBondContact O-CG 3.49Å; R1226-L1230 PolarHBondContact O-N 3.07Å; R1226-L1230 VanDerWaalsContact O-N 3.07Å |
| 1227 | Q | 81.2 | Confident | 79.4 | Confident | 123 Ų | 123 | 106.7 Ų | 106.7 | 58% | 0.575 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.1 | -39.6 | 175.2 | -71.3 | 175.8 | 20.1 | 0 | 0 | 111.9 | D1223 T1224 L1230 L1231 | D1223-Q1227 WeakPolarHBondContact O-CG 3.47Å; D1223-Q1227 PolarHBondContact O-N 2.79Å; T1224-Q1227 PolarHBondContact O-N 3.49Å; Q1227-L1230 PolarHBondContact O-N 3.41Å; Q1227-L1231 WeakPolarHBondContact O-CB 3.48Å; Q1227-L1231 VanDerWaalsContact O-CG 3.31Å; Q1227-L1231 WeakPolarHBondContact O-CG 3.27Å; Q1227-L1231 PolarHBondContact O-N 3.22Å |
| 1228 | L | 77.9 | Confident | 79.6 | Confident | 86 Ų | 86 | 106.6 Ų | 106.6 | 45% | 0.45 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 175.3 | -74.6 | 168.2 | 0 | 0 | 0 | 112.7 | L1180 T1224 C1225 L1231 R1232 | L1180-L1228 HydrophobicContact CD2-CD2 3.67Å; T1224-L1228 WeakPolarHBondContact O-CB 3.33Å; T1224-L1228 VanDerWaalsContact O-CG 3.29Å; T1224-L1228 WeakPolarHBondContact O-CG 3.29Å; T1224-L1228 PolarHBondContact O-N 3.44Å; C1225-L1228 PolarHBondContact O-N 2.78Å; L1228-L1231 PolarHBondContact O-N 3.29Å; L1228-R1232 VanDerWaalsContact O-CB 3.29Å; L1228-R1232 WeakPolarHBondContact O-CB 3.45Å; L1228-R1232 PolarHBondContact O-N 3.45Å |
| 1229 | V | 82.3 | Confident | 79.7 | Confident | 99 Ų | 99 | 101.8 Ų | 101.8 | 60% | 0.6 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.4 | -42.5 | 175.2 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | C1225 R1226 R1232 Q1233 | C1225-V1229 WeakPolarHBondContact O-CG2 3.3Å; C1225-V1229 PolarHBondContact O-N 2.89Å; R1226-V1229 PolarHBondContact O-N 3.48Å; V1229-R1232 WeakPolarHBondContact O-CB 3.42Å; V1229-R1232 PolarHBondContact O-N 3.28Å; V1229-Q1233 PolarHBondContact O-N 3.21Å |
| 1230 | L | 81.4 | Confident | 79.7 | Confident | 103 Ų | 103 | 99 Ų | 99 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.3 | -35.9 | 176.5 | -70.9 | 170.1 | 0 | 0 | 0 | 112.7 | R1226 Q1227 K1234 | R1226-L1230 WeakPolarHBondContact O-CG 3.49Å; R1226-L1230 PolarHBondContact O-N 3.07Å; R1226-L1230 VanDerWaalsContact O-N 3.07Å; Q1227-L1230 PolarHBondContact O-N 3.41Å; L1230-K1234 WeakPolarHBondContact O-CG 3.36Å; L1230-K1234 PolarHBondContact O-N 3.14Å; L1230-K1234 VanDerWaalsContact O-N 3.1Å |
| 1231 | L | 77.9 | Confident | 79.8 | Confident | 77 Ų | 77 | 98.7 Ų | 98.7 | 40% | 0.403 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 171.9 | -77.4 | 168.3 | 0 | 0 | 0 | 111.3 | Q1227 L1228 K1234 F1235 | Q1227-L1231 WeakPolarHBondContact O-CB 3.48Å; Q1227-L1231 VanDerWaalsContact O-CG 3.31Å; Q1227-L1231 WeakPolarHBondContact O-CG 3.27Å; Q1227-L1231 PolarHBondContact O-N 3.22Å; L1228-L1231 PolarHBondContact O-N 3.29Å; L1231-K1234 PolarHBondContact O-N 2.92Å; L1231-F1235 WeakPolarHBondContact O-CB 3.38Å; L1231-F1235 PolarHBondContact O-N 2.98Å |
| 1232 | R | 82.7 | Confident | 79.7 | Confident | 164 Ų | 164 | 97.2 Ų | 97.2 | 62% | 0.619 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.3 | -50.9 | 175.2 | -176.9 | 62.3 | -174.1 | -103 | 3.3 | 111.1 | L1228 V1229 K1234 F1235 D1236 | L1228-R1232 VanDerWaalsContact O-CB 3.29Å; L1228-R1232 WeakPolarHBondContact O-CB 3.45Å; L1228-R1232 PolarHBondContact O-N 3.45Å; V1229-R1232 WeakPolarHBondContact O-CB 3.42Å; V1229-R1232 PolarHBondContact O-N 3.28Å; R1232-K1234 VanDerWaalsContact C-N 3.29Å; R1232-K1234 PolarHBondContact O-N 3.03Å; R1232-F1235 WeakPolarHBondContact O-CB 3.49Å; R1232-F1235 PolarHBondContact O-N 3.48Å; R1232-D1236 IonicContact CZ-OD1 3.24Å; R1232-D1236 IonicContact NE-OD1 2.7Å; R1232-D1236 PolarHBondContact NE-OD1 3.13Å; R1232-D1236 IonicContact NE-OD2 3.29Å; R1232-D1236 IonicContact NH2-OD1 3.94Å; R1232-D1236 PolarHBondContact O-N 3.31Å |
| 1233 | Q | 83.4 | Confident | 79.4 | Confident | 134 Ų | 134 | 95.7 Ų | 95.7 | 63% | 0.626 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.4 | -36.9 | 178.2 | -170.3 | 178 | 7.1 | 0 | 0 | 112.6 | V1229 Q1237 | V1229-Q1233 PolarHBondContact O-N 3.21Å; Q1233-Q1237 WeakPolarHBondContact O-CB 3.29Å; Q1233-Q1237 PolarHBondContact O-N 2.98Å; Q1233-Q1237 VanDerWaalsContact O-N 3.16Å |
| 1234 | K | 78.1 | Confident | 79.6 | Confident | 148 Ų | 148 | 98.8 Ų | 98.8 | 64% | 0.643 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -71.2 | -33.6 | 173.3 | -75.1 | -174.6 | 175.8 | -169 | 0 | 113.3 | L1230 L1231 R1232 L1238 | L1230-K1234 WeakPolarHBondContact O-CG 3.36Å; L1230-K1234 PolarHBondContact O-N 3.14Å; L1230-K1234 VanDerWaalsContact O-N 3.1Å; L1231-K1234 PolarHBondContact O-N 2.92Å; R1232-K1234 VanDerWaalsContact C-N 3.29Å; R1232-K1234 PolarHBondContact O-N 3.03Å; K1234-L1238 WeakPolarHBondContact O-CB 3.31Å; K1234-L1238 VanDerWaalsContact O-CG 3.3Å; K1234-L1238 WeakPolarHBondContact O-CG 3.38Å; K1234-L1238 PolarHBondContact O-N 3.25Å |
| 1235 | F | 77.9 | Confident | 79.6 | Confident | 85 Ų | 85 | 99.8 Ų | 99.8 | 37% | 0.373 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69 | -47.1 | 175.2 | -171.2 | -85.6 | 0 | 0 | 0 | 111 | L1231 R1232 Q1237 L1238 E1239 | L1231-F1235 WeakPolarHBondContact O-CB 3.38Å; L1231-F1235 PolarHBondContact O-N 2.98Å; R1232-F1235 WeakPolarHBondContact O-CB 3.49Å; R1232-F1235 PolarHBondContact O-N 3.48Å; F1235-Q1237 PolarHBondContact O-N 3.17Å; F1235-L1238 PolarHBondContact O-N 3.21Å; F1235-L1238 VanDerWaalsContact O-N 3.17Å; F1235-E1239 WeakPolarHBondContact O-CB 3.32Å; F1235-E1239 PolarHBondContact O-N 3Å |
| 1236 | D | 80.2 | Confident | 79.5 | Confident | 77 Ų | 77 | 103 Ų | 103 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.9 | -36.6 | 177.7 | -57.1 | -31.2 | 0 | 0 | 0 | 110.8 | R1232 A1240 | R1232-D1236 IonicContact CZ-OD1 3.24Å; R1232-D1236 IonicContact NE-OD1 2.7Å; R1232-D1236 PolarHBondContact NE-OD1 3.13Å; R1232-D1236 IonicContact NE-OD2 3.29Å; R1232-D1236 IonicContact NH2-OD1 3.94Å; R1232-D1236 PolarHBondContact O-N 3.31Å; D1236-A1240 PolarHBondContact O-N 3.01Å |
| 1237 | Q | 82.4 | Confident | 79.3 | Confident | 107 Ų | 107 | 103.6 Ų | 103.6 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.5 | -50.6 | 171.4 | 178.7 | 61.8 | 49.8 | 0 | 0 | 112.6 | Q1233 F1235 E1239 A1240 D1241 | Q1233-Q1237 WeakPolarHBondContact O-CB 3.29Å; Q1233-Q1237 PolarHBondContact O-N 2.98Å; Q1233-Q1237 VanDerWaalsContact O-N 3.16Å; F1235-Q1237 PolarHBondContact O-N 3.17Å; Q1237-E1239 PolarHBondContact O-N 3.38Å; Q1237-A1240 WeakPolarHBondContact O-CB 3.4Å; Q1237-A1240 PolarHBondContact O-N 2.8Å; Q1237-A1240 VanDerWaalsContact O-N 3.09Å; Q1237-D1241 VanDerWaalsContact NE2-CG 3.27Å; Q1237-D1241 PolarHBondContact NE2-OD1 3.32Å; Q1237-D1241 VanDerWaalsContact NE2-OD1 3.09Å; Q1237-D1241 PolarHBondContact NE2-OD2 2.72Å; Q1237-D1241 PolarHBondContact O-N 3.47Å |
| 1238 | L | 76.5 | Confident | 79.1 | Confident | 105 Ų | 105 | 101.7 Ų | 101.7 | 55% | 0.55 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.4 | -29.7 | 179.1 | -75.7 | 169.9 | 0 | 0 | 0 | 112.7 | K1234 F1235 R1242 | K1234-L1238 WeakPolarHBondContact O-CB 3.31Å; K1234-L1238 VanDerWaalsContact O-CG 3.3Å; K1234-L1238 WeakPolarHBondContact O-CG 3.38Å; K1234-L1238 PolarHBondContact O-N 3.25Å; F1235-L1238 PolarHBondContact O-N 3.21Å; F1235-L1238 VanDerWaalsContact O-N 3.17Å; L1238-R1242 WeakPolarHBondContact O-CB 3.49Å; L1238-R1242 PolarHBondContact O-N 3.48Å |
| 1239 | E | 79.7 | Confident | 78.7 | Confident | 97 Ų | 97 | 102.3 Ų | 102.3 | 45% | 0.453 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.7 | -34.8 | 173.8 | -172.2 | 150.4 | -129.5 | 0 | 0 | 111.8 | F1235 Q1237 A1243 | F1235-E1239 WeakPolarHBondContact O-CB 3.32Å; F1235-E1239 PolarHBondContact O-N 3Å; Q1237-E1239 PolarHBondContact O-N 3.38Å; E1239-A1243 VanDerWaalsContact O-CB 3.32Å; E1239-A1243 WeakPolarHBondContact O-CB 3.39Å; E1239-A1243 PolarHBondContact O-N 3.31Å |
| 1240 | A | 78.1 | Confident | 78.2 | Confident | 55 Ų | 55 | 102.5 Ų | 102.5 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.7 | -46.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1236 Q1237 R1242 A1243 K1244 | D1236-A1240 PolarHBondContact O-N 3.01Å; Q1237-A1240 WeakPolarHBondContact O-CB 3.4Å; Q1237-A1240 PolarHBondContact O-N 2.8Å; Q1237-A1240 VanDerWaalsContact O-N 3.09Å; A1240-R1242 VanDerWaalsContact C-N 3.33Å; A1240-R1242 PolarHBondContact O-N 2.86Å; A1240-A1243 WeakPolarHBondContact O-CB 3.39Å; A1240-A1243 PolarHBondContact O-N 3.49Å; A1240-A1243 VanDerWaalsContact O-N 3.15Å; A1240-K1244 PolarHBondContact O-N 3.36Å |
| 1241 | D | 79.1 | Confident | 77.6 | Confident | 65 Ų | 65 | 100.8 Ų | 100.8 | 35% | 0.348 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 177 | -65.2 | -38.3 | 0 | 0 | 0 | 111.4 | Q1237 K1244 I1245 | Q1237-D1241 VanDerWaalsContact NE2-CG 3.27Å; Q1237-D1241 PolarHBondContact NE2-OD1 3.32Å; Q1237-D1241 VanDerWaalsContact NE2-OD1 3.09Å; Q1237-D1241 PolarHBondContact NE2-OD2 2.72Å; Q1237-D1241 PolarHBondContact O-N 3.47Å; D1241-K1244 WeakPolarHBondContact O-CB 3.49Å; D1241-K1244 PolarHBondContact O-N 2.84Å; D1241-I1245 WeakPolarHBondContact O-CG1 3.45Å; D1241-I1245 PolarHBondContact O-N 3.31Å |
| 1242 | R | 77.3 | Confident | 76.9 | Confident | 83 Ų | 83 | 103 Ų | 103 | 31% | 0.313 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.6 | -29 | 173.4 | -177.3 | -178.1 | -176.7 | 173 | 6.9 | 113.1 | E1173 L1238 A1240 R1246 | E1173-R1242 IonicContact OE1-CZ 2.74Å; E1173-R1242 IonicContact OE1-NH1 3.98Å; E1173-R1242 PolarHBondContact OE1-NH1 3.03Å; E1173-R1242 IonicContact OE2-NH1 3.02Å; L1238-R1242 WeakPolarHBondContact O-CB 3.49Å; L1238-R1242 PolarHBondContact O-N 3.48Å; A1240-R1242 VanDerWaalsContact C-N 3.33Å; A1240-R1242 PolarHBondContact O-N 2.86Å; R1242-R1246 WeakPolarHBondContact O-CB 3.37Å; R1242-R1246 PolarHBondContact O-N 2.85Å |
| 1243 | A | 76.9 | Confident | 76.1 | Confident | 56 Ų | 56 | 100.3 Ų | 100.3 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.1 | -40.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | E1239 A1240 R1246 Y1247 | E1239-A1243 VanDerWaalsContact O-CB 3.32Å; E1239-A1243 WeakPolarHBondContact O-CB 3.39Å; E1239-A1243 PolarHBondContact O-N 3.31Å; A1240-A1243 WeakPolarHBondContact O-CB 3.39Å; A1240-A1243 PolarHBondContact O-N 3.49Å; A1240-A1243 VanDerWaalsContact O-N 3.15Å; A1243-R1246 PolarHBondContact O-N 3.04Å; A1243-Y1247 WeakPolarHBondContact O-CB 3.2Å; A1243-Y1247 PolarHBondContact O-N 3.48Å |
| 1244 | K | 83.5 | Confident | 74.4 | Confident | 122 Ų | 122 | 95.3 Ų | 95.3 | 53% | 0.53 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.8 | -51.9 | 172.1 | -178.4 | -174 | 166.1 | -171.8 | 0 | 111.6 | A1240 D1241 R1246 Y1247 E1248 | A1240-K1244 PolarHBondContact O-N 3.36Å; D1241-K1244 WeakPolarHBondContact O-CB 3.49Å; D1241-K1244 PolarHBondContact O-N 2.84Å; K1244-R1246 VanDerWaalsContact C-N 3.28Å; K1244-R1246 PolarHBondContact O-N 3.35Å; K1244-Y1247 WeakPolarHBondContact O-CB 3.29Å; K1244-Y1247 PolarHBondContact O-N 3.32Å; K1244-Y1247 VanDerWaalsContact O-N 3.07Å; K1244-E1248 WeakPolarHBondContact CE-OE1 3.34Å; K1244-E1248 IonicContact NZ-OE1 2.81Å; K1244-E1248 WeakPolarHBondContact O-CG 3.39Å; K1244-E1248 PolarHBondContact O-N 2.8Å |
| 1245 | I | 75.4 | Confident | 72.8 | Confident | 85 Ų | 85 | 94.2 Ų | 94.2 | 44% | 0.436 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.3 | -34.8 | 178 | -68.2 | 165.2 | 0 | 0 | 0 | 111.4 | D1241 L1249 | D1241-I1245 WeakPolarHBondContact O-CG1 3.45Å; D1241-I1245 PolarHBondContact O-N 3.31Å; I1245-L1249 HydrophobicContact CG2-CD1 3.98Å; I1245-L1249 HydrophobicContact CG2-CG 4.48Å; I1245-L1249 WeakPolarHBondContact O-CB 3.42Å; I1245-L1249 WeakPolarHBondContact O-CG 3.46Å; I1245-L1249 PolarHBondContact O-N 3Å |
| 1246 | R | 75.9 | Confident | 71.1 | Confident | 132 Ų | 132 | 99.8 Ų | 99.8 | 50% | 0.498 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 171.1 | -88.8 | -165.5 | -99.2 | -176.4 | -3.6 | 112.5 | R1242 A1243 K1244 E1248 L1249 D1250 | R1242-R1246 WeakPolarHBondContact O-CB 3.37Å; R1242-R1246 PolarHBondContact O-N 2.85Å; A1243-R1246 PolarHBondContact O-N 3.04Å; K1244-R1246 VanDerWaalsContact C-N 3.28Å; K1244-R1246 PolarHBondContact O-N 3.35Å; R1246-E1248 VanDerWaalsContact C-N 3.33Å; R1246-E1248 PolarHBondContact O-N 3.1Å; R1246-L1249 PolarHBondContact O-N 2.97Å; R1246-D1250 VanDerWaalsContact O-CB 3.23Å; R1246-D1250 WeakPolarHBondContact O-CB 3.41Å; R1246-D1250 PolarHBondContact O-N 3.31Å |
| 1247 | Y | 77.6 | Confident | 69.4 | Low | 172 Ų | 172 | 102 Ų | 102 | 68% | 0.675 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.4 | -43.3 | 175.2 | 176.9 | -94.1 | 0 | 0 | 0 | 111.7 | A1243 K1244 D1250 V1251 | A1243-Y1247 WeakPolarHBondContact O-CB 3.2Å; A1243-Y1247 PolarHBondContact O-N 3.48Å; K1244-Y1247 WeakPolarHBondContact O-CB 3.29Å; K1244-Y1247 PolarHBondContact O-N 3.32Å; K1244-Y1247 VanDerWaalsContact O-N 3.07Å; Y1247-D1250 PolarHBondContact O-N 2.81Å; Y1247-V1251 HydrophobicContact CD1-CG2 4.43Å; Y1247-V1251 HydrophobicContact CE1-CG2 4.09Å; Y1247-V1251 HydrophobicContact CE2-CG2 4.42Å; Y1247-V1251 WeakPolarHBondContact O-CB 3.41Å; Y1247-V1251 VanDerWaalsContact O-CG2 3.27Å; Y1247-V1251 WeakPolarHBondContact O-CG2 3.38Å; Y1247-V1251 PolarHBondContact O-N 3.34Å |
| 1248 | E | 76.8 | Confident | 67.3 | Low | 83 Ų | 83 | 104.4 Ų | 104.4 | 39% | 0.388 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 176.5 | -70.6 | 166.8 | 165.3 | 0 | 0 | 111.8 | K1244 R1246 L1252 | K1244-E1248 WeakPolarHBondContact CE-OE1 3.34Å; K1244-E1248 IonicContact NZ-OE1 2.81Å; K1244-E1248 WeakPolarHBondContact O-CG 3.39Å; K1244-E1248 PolarHBondContact O-N 2.8Å; R1246-E1248 VanDerWaalsContact C-N 3.33Å; R1246-E1248 PolarHBondContact O-N 3.1Å; E1248-L1252 WeakPolarHBondContact O-CB 3.5Å; E1248-L1252 WeakPolarHBondContact O-CD1 3.44Å; E1248-L1252 VanDerWaalsContact O-CG 3.25Å; E1248-L1252 WeakPolarHBondContact O-CG 3.35Å; E1248-L1252 PolarHBondContact O-N 3.18Å |
| 1249 | L | 70.2 | Confident | 65.7 | Low | 99 Ų | 99 | 105.1 Ų | 105.1 | 52% | 0.518 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68 | -39.9 | 173.7 | -77.7 | 170.2 | 0 | 0 | 0 | 113.3 | I1245 R1246 V1251 L1252 K1253 | I1245-L1249 HydrophobicContact CG2-CD1 3.98Å; I1245-L1249 HydrophobicContact CG2-CG 4.48Å; I1245-L1249 WeakPolarHBondContact O-CB 3.42Å; I1245-L1249 WeakPolarHBondContact O-CG 3.46Å; I1245-L1249 PolarHBondContact O-N 3Å; R1246-L1249 PolarHBondContact O-N 2.97Å; L1249-V1251 VanDerWaalsContact C-N 3.32Å; L1249-L1252 PolarHBondContact O-N 3.49Å; L1249-K1253 WeakPolarHBondContact O-CB 3.42Å; L1249-K1253 PolarHBondContact O-N 3.33Å |
| 1250 | D | 70.7 | Confident | 63.9 | Low | 103 Ų | 103 | 106.7 Ų | 106.7 | 55% | 0.551 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -72.6 | -26.6 | 179.8 | -71.3 | -28.9 | 0 | 0 | 0 | 111.2 | R1246 Y1247 G1254 | R1246-D1250 VanDerWaalsContact O-CB 3.23Å; R1246-D1250 WeakPolarHBondContact O-CB 3.41Å; R1246-D1250 PolarHBondContact O-N 3.31Å; Y1247-D1250 PolarHBondContact O-N 2.81Å; D1250-G1254 WeakPolarHBondContact O-CA 3.38Å; D1250-G1254 PolarHBondContact O-N 3.27Å |
| 1251 | V | 68.7 | Low | 61.8 | Low | 67 Ų | 67 | 112.2 Ų | 112.2 | 41% | 0.406 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.4 | -55.7 | 164.8 | 166.9 | 0 | 0 | 0 | 0 | 110.3 | Y1247 L1249 K1253 G1254 D1255 | Y1247-V1251 HydrophobicContact CD1-CG2 4.43Å; Y1247-V1251 HydrophobicContact CE1-CG2 4.09Å; Y1247-V1251 HydrophobicContact CE2-CG2 4.42Å; Y1247-V1251 WeakPolarHBondContact O-CB 3.41Å; Y1247-V1251 VanDerWaalsContact O-CG2 3.27Å; Y1247-V1251 WeakPolarHBondContact O-CG2 3.38Å; Y1247-V1251 PolarHBondContact O-N 3.34Å; L1249-V1251 VanDerWaalsContact C-N 3.32Å; V1251-K1253 PolarHBondContact O-N 2.86Å; V1251-G1254 PolarHBondContact O-N 2.95Å; V1251-G1254 VanDerWaalsContact O-N 3.13Å; V1251-D1255 PolarHBondContact O-N 2.97Å |
| 1252 | L | 64.5 | Low | 59.8 | Low | 123 Ų | 123 | 118.8 Ų | 118.8 | 64% | 0.644 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -58.5 | -23.5 | 178.4 | -72.3 | 167.2 | 0 | 0 | 0 | 113.7 | E1248 L1249 | E1248-L1252 WeakPolarHBondContact O-CB 3.5Å; E1248-L1252 WeakPolarHBondContact O-CD1 3.44Å; E1248-L1252 VanDerWaalsContact O-CG 3.25Å; E1248-L1252 WeakPolarHBondContact O-CG 3.35Å; E1248-L1252 PolarHBondContact O-N 3.18Å; L1249-L1252 PolarHBondContact O-N 3.49Å |
| 1253 | K | 64.9 | Low | 58 | Low | 109 Ų | 109 | 119 Ų | 119 | 47% | 0.474 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -96.3 | -29.5 | 178.6 | -168.6 | 170.8 | -179.5 | -73.9 | 0 | 113 | L1249 V1251 D1255 Y1256 E1257 | L1249-K1253 WeakPolarHBondContact O-CB 3.42Å; L1249-K1253 PolarHBondContact O-N 3.33Å; V1251-K1253 PolarHBondContact O-N 2.86Å; K1253-D1255 VanDerWaalsContact C-N 3.26Å; K1253-D1255 PolarHBondContact O-N 3.39Å; K1253-Y1256 WeakPolarHBondContact O-CB 3.24Å; K1253-Y1256 PolarHBondContact O-N 2.91Å; K1253-E1257 IonicContact NZ-OE1 3.6Å; K1253-E1257 PolarHBondContact NZ-OE1 2.91Å; K1253-E1257 IonicContact NZ-OE2 3.78Å; K1253-E1257 PolarHBondContact O-N 3.31Å; K1253-E1257 VanDerWaalsContact O-N 3.17Å |
| 1254 | G | 47.3 | Very low | 56.3 | Low | 28 Ų | 28 | 123.5 Ų | 123.5 | 29% | 0.289 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -59.2 | -39.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D1250 V1251 Y1256 E1257 M1258 | D1250-G1254 WeakPolarHBondContact O-CA 3.38Å; D1250-G1254 PolarHBondContact O-N 3.27Å; V1251-G1254 PolarHBondContact O-N 2.95Å; V1251-G1254 VanDerWaalsContact O-N 3.13Å; G1254-Y1256 PolarHBondContact O-N 3.38Å; G1254-E1257 PolarHBondContact O-N 3.44Å; G1254-E1257 VanDerWaalsContact O-N 3.16Å; G1254-M1258 WeakPolarHBondContact O-CG 3.39Å; G1254-M1258 PolarHBondContact O-N 3.17Å; G1254-M1258 VanDerWaalsContact O-N 3.1Å |
| 1255 | D | 45.2 | Very low | 54.1 | Low | 126 Ų | 126 | 124.6 Ų | 124.6 | 67% | 0.674 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.9 | -15.6 | 174.4 | -67.3 | -17.7 | 0 | 0 | 0 | 113.4 | V1251 K1253 | V1251-D1255 PolarHBondContact O-N 2.97Å; K1253-D1255 VanDerWaalsContact C-N 3.26Å; K1253-D1255 PolarHBondContact O-N 3.39Å |
| 1256 | Y | 42.8 | Very low | 52.3 | Low | 201 Ų | 201 | 127.6 Ų | 127.6 | 79% | 0.788 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -98.3 | -19.6 | 175 | -139.1 | -88.4 | 0 | 0 | 0 | 113.8 | K1253 G1254 | K1253-Y1256 WeakPolarHBondContact O-CB 3.24Å; K1253-Y1256 PolarHBondContact O-N 2.91Å; G1254-Y1256 PolarHBondContact O-N 3.38Å |
| 1257 | E | 45 | Very low | 50.4 | Low | 124 Ų | 124 | 125.9 Ų | 125.9 | 58% | 0.579 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -103.6 | -9 | -177.8 | -72.5 | 179.9 | -170 | 0 | 0 | 113.8 | K1253 G1254 T1259 | K1253-E1257 IonicContact NZ-OE1 3.6Å; K1253-E1257 PolarHBondContact NZ-OE1 2.91Å; K1253-E1257 IonicContact NZ-OE2 3.78Å; K1253-E1257 PolarHBondContact O-N 3.31Å; K1253-E1257 VanDerWaalsContact O-N 3.17Å; G1254-E1257 PolarHBondContact O-N 3.44Å; G1254-E1257 VanDerWaalsContact O-N 3.16Å; E1257-T1259 PolarHBondContact O-N 2.89Å |
| 1258 | M | 36.6 | Very low | 48.4 | Very low | 158 Ų | 158 | 129 Ų | 129 | 78% | 0.778 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 7.1 | 179.9 | -87.7 | -64.7 | -67.2 | 0 | 0 | 116.3 | G1254 | G1254-M1258 WeakPolarHBondContact O-CG 3.39Å; G1254-M1258 PolarHBondContact O-N 3.17Å; G1254-M1258 VanDerWaalsContact O-N 3.1Å |
| 1259 | T | 43.4 | Very low | 46.4 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 73% | 0.73 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | 42.2 | 178 | 51.1 | 0 | 0 | 0 | 0 | 115.3 | E1257 | E1257-T1259 PolarHBondContact O-N 2.89Š|
| 1260 | T | 42.2 | Very low | 44.7 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 80% | 0.798 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -159.2 | 21.6 | 159.6 | 3.2 | 0 | 0 | 0 | 0 | 120.1 | ||
| 1261 | L | 33 | Very low | 42.9 | Very low | 171 Ų | 171 | 133.9 Ų | 133.9 | 90% | 0.895 | 69% | 0.692 | S | S | * | * | trans | -125 | 104.8 | 178.4 | -73.9 | 178 | 0 | 0 | 0 | 116.6 | ||||
| 1262 | K | 38.9 | Very low | 41.3 | Very low | 204 Ų | 204 | 134 Ų | 134 | 89% | 0.887 | 70% | 0.7 | S | S | * | * | trans | 177.2 | 131.8 | 156.4 | -97 | 153.5 | -175.4 | 166.6 | 0 | 106.5 | ||||
| 1263 | S | 38.6 | Very low | 39.8 | Very low | 87 Ų | 87 | 132.2 Ų | 132.2 | 61% | 0.608 | 70% | 0.698 | S | S | * | * | cis | -167.8 | -170.5 | -8.7 | 56.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1264 | E | 40.5 | Very low | 38.4 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | cis | -158.2 | 151.1 | 7.1 | -142.9 | 100.8 | -117.2 | 0 | 0 | 109.3 | ||||
| 1265 | D | 37.8 | Very low | 37.9 | Very low | 145 Ų | 145 | 138.2 Ų | 138.2 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | trans | 52.5 | 145.3 | 149.3 | -62.5 | -16.1 | 0 | 0 | 0 | 127.8 | ||||
| 1266 | D | 37.8 | Very low | 37.6 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | 73.2 | 93.6 | 141.2 | -93.1 | -12.7 | 0 | 0 | 0 | 125.8 | ||||
| 1267 | S | 36.2 | Very low | 37.3 | Very low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | 106.9 | 132.6 | 107.7 | 83.6 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1268 | R | 35.3 | Very low | 36.9 | Very low | 238 Ų | 238 | 136 Ų | 136 | 90% | 0.898 | 74% | 0.743 | S | S | * | * | trans | 63.9 | 107.8 | 145.7 | -70 | 178.6 | 177.9 | -166.9 | 0.7 | 122.8 | ||||
| 1269 | S | 33.9 | Very low | 37 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | 95.3 | 118.3 | 113.5 | -158.2 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1270 | T | 34.4 | Very low | 36.7 | Very low | 112 Ų | 112 | 133 Ų | 133 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | trans | 73.4 | 123.6 | 137.5 | 47 | 0 | 0 | 0 | 0 | 125 | ||||
| 1271 | K | 34.9 | Very low | 36.3 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | trans | 72.9 | 164.7 | 136.9 | -69.5 | -179.8 | 177 | -177.1 | 0 | 120.7 | H1689 | K1271-H1689 PolarHBondContact O-NE2 3.06Š| ||
| 1272 | A | 34.6 | Very low | 36.6 | Very low | 68 Ų | 68 | 130 Ų | 130 | 56% | 0.562 | 73% | 0.73 | S | S | * | * | cis | -163.9 | 129.1 | -46.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | H1689 | A1272-H1689 VanDerWaalsContact CA-NE2 3.27Å; A1272-H1689 WeakPolarHBondContact CA-NE2 3.34Å; A1272-H1689 PolarHBondContact N-NE2 3.35Å | ||
| 1273 | S | 32.7 | Very low | 36.5 | Very low | 86 Ų | 86 | 128.5 Ų | 128.5 | 60% | 0.601 | 73% | 0.726 | S | S | * | * | trans | 64.4 | 128.5 | 169.6 | -170 | 0 | 0 | 0 | 0 | 119.1 | H1689 | S1273-H1689 PolarHBondContact N-CD2 2.88Å; S1273-H1689 PolarHBondContact N-ND1 3.37Å; S1273-H1689 VanDerWaalsContact N-ND1 3.13Å; S1273-H1689 PolarHBondContact O-CD2 3.47Å | ||
| 1274 | T | 34.4 | Very low | 36.3 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | 168.1 | 149.1 | 92.5 | -46.6 | 0 | 0 | 0 | 0 | 112.5 | H1689 | T1274-H1689 VanDerWaalsContact N-CG 3.27Š| |||
| 1275 | I | 37.9 | Very low | 36.2 | Very low | 154 Ų | 154 | 126 Ų | 126 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | trans | -91 | -162.6 | 171.6 | -2.1 | 175.6 | 0 | 0 | 0 | 110 | ||||
| 1276 | P | 39.1 | Very low | 36.2 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | cis | -127.5 | -168.3 | -36.8 | 32.9 | -12.9 | 0 | 0 | 0 | 112.1 | ||||
| 1277 | T | 35.5 | Very low | 36.1 | Very low | 130 Ų | 130 | 134 Ų | 134 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | 158.4 | 142.9 | 112.8 | -52 | 0 | 0 | 0 | 0 | 113 | |||||
| 1278 | E | 37.1 | Very low | 36.1 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | trans | -67.1 | 178.7 | 170.9 | -122.1 | -177 | -123 | 0 | 0 | 113 | ||||
| 1279 | P | 39.2 | Very low | 36 | Very low | 107 Ų | 107 | 131 Ų | 131 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | -160.6 | -179 | 53.2 | 44.3 | -21.2 | 0 | 0 | 0 | 120.7 | |||||
| 1280 | S | 36.3 | Very low | 36.3 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | 92.1 | 132.7 | 137.2 | 69.5 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1281 | T | 34.2 | Very low | 36.1 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -88.2 | -178.7 | 166.7 | 2.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1282 | P | 39.4 | Very low | 36.1 | Very low | 107 Ų | 107 | 139 Ų | 139 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | cis | -165.2 | 173.6 | 48.9 | 46.8 | -23.1 | 0 | 0 | 0 | 122.7 | ||||
| 1283 | Q | 35.8 | Very low | 36.1 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | 68.2 | 137.2 | 133.7 | -84.1 | -175.7 | 23.2 | 0 | 0 | 127.9 | ||||
| 1284 | V | 36.4 | Very low | 35.9 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 78% | 0.782 | 76% | 0.755 | S | S | * | * | trans | 76.8 | 139.3 | 136.5 | 169 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1285 | G | 37.3 | Very low | 35.9 | Very low | 57 Ų | 57 | 144.6 Ų | 144.6 | 59% | 0.588 | 76% | 0.755 | S | S | * | * | cis | 137.5 | 157.6 | -13.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1286 | R | 37.4 | Very low | 35.5 | Very low | 236 Ų | 236 | 144.7 Ų | 144.7 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | trans | 71.5 | 153.1 | 174.7 | -60.4 | -176.4 | 176.8 | -154.6 | -1.3 | 114.7 | ||||
| 1287 | R | 36.6 | Very low | 35.4 | Very low | 224 Ų | 224 | 146.2 Ų | 146.2 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | cis | -113.7 | -134.1 | 28 | -79.7 | 83.1 | -170.6 | -73 | 2.6 | 116.4 | ||||
| 1288 | S | 35.7 | Very low | 35.2 | Very low | 82 Ų | 82 | 145 Ų | 145 | 57% | 0.573 | 76% | 0.759 | S | S | * | * | trans | 172.1 | 168.6 | -141.6 | 50.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1289 | F | 33.4 | Very low | 35 | Very low | 188 Ų | 188 | 147.8 Ų | 147.8 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | 87.9 | 155.3 | 171.8 | -56.5 | -55.5 | 0 | 0 | 0 | 114.2 | ||||
| 1290 | K | 40 | Very low | 34.8 | Very low | 185 Ų | 185 | 150.5 Ų | 150.5 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | cis | -135.2 | -132.2 | 26.9 | -160.2 | 167.1 | -76.4 | 169.6 | 0 | 114.8 | ||||
| 1291 | R | 31.2 | Very low | 34.7 | Very low | 224 Ų | 224 | 154.3 Ų | 154.3 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | -174.2 | 149.1 | -166.2 | -69 | -175.6 | 170.6 | -168.5 | -7.9 | 110.6 | ||||
| 1292 | L | 34.4 | Very low | 34.7 | Very low | 148 Ų | 148 | 160 Ų | 160 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | 171.2 | 116.6 | 111.1 | -91.6 | 170 | 0 | 0 | 0 | 115.6 | |||||
| 1293 | N | 33.4 | Very low | 34.4 | Very low | 126 Ų | 126 | 160.3 Ų | 160.3 | 67% | 0.674 | 78% | 0.778 | S | S | * | * | trans | 51.4 | 115.8 | 140.2 | -62.8 | 11.8 | 0 | 0 | 0 | 124.2 | ||||
| 1294 | I | 29.1 | Very low | 34.3 | Very low | 149 Ų | 149 | 158.2 Ų | 158.2 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | 50.2 | 138.8 | 98.5 | -61.1 | 160.2 | 0 | 0 | 0 | 117.7 | |||||
| 1295 | P | 35.5 | Very low | 34.1 | Very low | 104 Ų | 104 | 157.7 Ų | 157.7 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | cis | -142.3 | 168.1 | 19.8 | 32.1 | -8.3 | 0 | 0 | 0 | 120.3 | ||||
| 1296 | I | 29.7 | Very low | 33.8 | Very low | 156 Ų | 156 | 161.3 Ų | 161.3 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | 23 | 127.4 | 132.7 | -46.9 | 163.8 | 0 | 0 | 0 | 120.6 | ||||
| 1297 | V | 35.4 | Very low | 33.5 | Very low | 141 Ų | 141 | 155.5 Ų | 155.5 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | -173.7 | 151.7 | 127.3 | 140.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1298 | S | 31.7 | Very low | 33.3 | Very low | 103 Ų | 103 | 150.6 Ų | 150.6 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | -111.9 | 157.2 | -167.9 | 50.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1299 | R | 34.2 | Very low | 33.2 | Very low | 228 Ų | 228 | 151 Ų | 151 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | 175.7 | 119.8 | 139.4 | -100 | 167.7 | 178.4 | -170.3 | 2.6 | 118.3 | ||||
| 1300 | K | 34.3 | Very low | 33.1 | Very low | 164 Ų | 164 | 149.5 Ų | 149.5 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | 80.2 | 108 | 110.8 | -165.8 | -178.6 | -176.7 | 179.3 | 0 | 122.7 | |||||
| 1301 | K | 34.1 | Very low | 32.8 | Very low | 187 Ų | 187 | 148.8 Ų | 148.8 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | 62.8 | 128.2 | 141.7 | -66.7 | -171.6 | 176.5 | -160 | 0 | 121 | ||||
| 1302 | R | 34.7 | Very low | 32.9 | Very low | 250 Ų | 250 | 147.7 Ų | 147.7 | 94% | 0.943 | 80% | 0.796 | S | S | * | * | -160.5 | 173.7 | 99.8 | -115.5 | 176 | 172.1 | 172.5 | -3.8 | 112.9 | |||||
| 1303 | S | 31.4 | Very low | 32.9 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -142.6 | 150.1 | -164.9 | 54.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1304 | S | 35.2 | Very low | 32.9 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -150.9 | 141.7 | 162.3 | 51.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1305 | S | 32.2 | Very low | 33.1 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -119.2 | 155.2 | -173.4 | 53.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1306 | C | 30.5 | Very low | 33 | Very low | 133 Ų | 133 | 146.2 Ų | 146.2 | 90% | 0.899 | 81% | 0.806 | S | S | * | * | trans | -153.4 | 159.1 | 143.2 | -149.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1307 | S | 30.5 | Very low | 33.3 | Very low | 113 Ų | 113 | 147.2 Ų | 147.2 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -158.9 | 131.2 | -168.7 | 55.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1308 | S | 33.5 | Very low | 33.5 | Very low | 122 Ų | 122 | 147.7 Ų | 147.7 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -174.7 | 158.2 | 166.5 | -170.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1309 | S | 32.1 | Very low | 33.5 | Very low | 91 Ų | 91 | 150 Ų | 150 | 64% | 0.636 | 82% | 0.815 | S | S | * | * | cis | 170.3 | 109.7 | -46.7 | 171.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 1310 | M | 31.7 | Very low | 33.6 | Very low | 155 Ų | 155 | 149.5 Ų | 149.5 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | trans | 61.8 | 174.1 | 163.5 | -52.6 | -174.6 | 67.4 | 0 | 0 | 114.7 | ||||
| 1311 | E | 33.3 | Very low | 33.7 | Very low | 170 Ų | 170 | 151.1 Ų | 151.1 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | cis | -146.7 | 176.1 | 6.6 | -162.3 | 148.8 | -152.3 | 0 | 0 | 112.2 | ||||
| 1312 | K | 34.6 | Very low | 33.7 | Very low | 201 Ų | 201 | 149.9 Ų | 149.9 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -93.3 | 146.7 | 175.3 | -61.8 | 175.8 | 179.5 | 177.8 | 0 | 111.7 | ||||
| 1313 | A | 34.1 | Very low | 34.1 | Very low | 107 Ų | 107 | 146.3 Ų | 146.3 | 88% | 0.884 | 82% | 0.816 | S | S | * | * | trans | -149.7 | 164.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1314 | S | 33.7 | Very low | 34.3 | Very low | 95 Ų | 95 | 150.1 Ų | 150.1 | 66% | 0.664 | 82% | 0.818 | S | S | * | * | trans | -149.1 | 151.7 | -167.9 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1315 | Q | 33.7 | Very low | 34.4 | Very low | 177 Ų | 177 | 151.2 Ų | 151.2 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | trans | 67.3 | 157.1 | 167 | -61.3 | 172.8 | -48 | 0 | 0 | 114.1 | ||||
| 1316 | T | 33.4 | Very low | 34.6 | Very low | 118 Ų | 118 | 154.1 Ų | 154.1 | 72% | 0.724 | 82% | 0.815 | S | S | * | * | cis | -152.5 | 180 | 4 | -12.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1317 | E | 34.7 | Very low | 35.2 | Very low | 176 Ų | 176 | 155.5 Ų | 155.5 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | 64.3 | 117.8 | 158.2 | -69.9 | -179.4 | 133.8 | 0 | 0 | 120 | ||||
| 1318 | T | 39.3 | Very low | 36 | Very low | 151 Ų | 151 | 156.9 Ų | 156.9 | 93% | 0.926 | 81% | 0.811 | S | S | * | * | -157.1 | 142.3 | 106 | 3.4 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1319 | D | 32.3 | Very low | 36.5 | Very low | 153 Ų | 153 | 157.1 Ų | 157.1 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -121.8 | 163.4 | -177.7 | -174.7 | 19.3 | 0 | 0 | 0 | 110.4 | ||||
| 1320 | R | 36.8 | Very low | 37.8 | Very low | 216 Ų | 216 | 156.7 Ų | 156.7 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | trans | 103.3 | 110.3 | -179.2 | -59.9 | 161.5 | -178.1 | -179.6 | 2.9 | 115.5 | ||||
| 1321 | F | 35.9 | Very low | 39.6 | Very low | 198 Ų | 198 | 152.8 Ų | 152.8 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | -166.1 | 122.1 | 96.5 | -114.8 | -81.4 | 0 | 0 | 0 | 111 | |||||
| 1322 | L | 35.2 | Very low | 41.6 | Very low | 162 Ų | 162 | 151.7 Ų | 151.7 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | -119.4 | 122.4 | 172.2 | -88.8 | 171 | 0 | 0 | 0 | 110.1 | ||||
| 1323 | Q | 41.2 | Very low | 43.5 | Very low | 174 Ų | 174 | 148.7 Ų | 148.7 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -128.9 | 117.1 | 163.2 | -102.9 | -174.5 | -5.3 | 0 | 0 | 109.7 | ||||
| 1324 | K | 35.8 | Very low | 45.6 | Very low | 194 Ų | 194 | 147.3 Ų | 147.3 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | trans | -75.6 | 134.1 | 172.4 | -73.3 | -179 | 174 | -179.8 | 0 | 109.8 | ||||
| 1325 | N | 37.7 | Very low | 47.7 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 81% | 0.807 | 72% | 0.717 | S | S | * | * | trans | -133.6 | 142 | 153.4 | -89.7 | -47 | 0 | 0 | 0 | 108.9 | L1327 | N1325-L1327 PolarHBondContact O-N 3.33Š| ||
| 1326 | H | 36.2 | Very low | 49.9 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 83% | 0.833 | 70% | 0.696 | S | S | * | * | trans | -79.4 | 114.2 | -179.3 | -75 | -101.5 | 0 | 0 | 0 | 110.2 | ||||
| 1327 | L | 44.4 | Very low | 52.4 | Low | 162 Ų | 162 | 135.3 Ų | 135.3 | 85% | 0.848 | 68% | 0.682 | S | S | * | * | trans | -101.1 | 125 | 160.3 | -76.9 | 167.6 | 0 | 0 | 0 | 108.3 | N1325 | N1325-L1327 PolarHBondContact O-N 3.33Š| ||
| 1328 | N | 46.6 | Very low | 54.7 | Low | 142 Ų | 142 | 129.1 Ų | 129.1 | 76% | 0.759 | 66% | 0.656 | S | S | * | * | trans | -74.4 | 144.9 | -179.8 | -69.4 | -33.5 | 0 | 0 | 0 | 110.3 | T1330 | N1328-T1330 PolarHBondContact O-N 2.9Š| ||
| 1329 | S | 44.6 | Very low | 56.9 | Low | 126 Ų | 126 | 125 Ų | 125 | 88% | 0.881 | 63% | 0.627 | S | S | * | * | trans | -56 | 102.4 | 178.8 | -177 | 0 | 0 | 0 | 0 | 112.2 | D1331 | S1329-D1331 PolarHBondContact O-N 3.02Š| ||
| 1330 | T | 58.8 | Low | 59.4 | Low | 83 Ų | 83 | 121 Ų | 121 | 51% | 0.509 | 61% | 0.611 | S | S | . | * | trans | -83.8 | 106.6 | 169.9 | 46 | 0 | 0 | 0 | 0 | 109.3 | N1328 W1332 | N1328-T1330 PolarHBondContact O-N 2.9Å; T1330-W1332 PolarHBondContact O-N 2.89Å | ||
| 1331 | D | 70.6 | Confident | 61.8 | Low | 72 Ų | 72 | 116.1 Ų | 116.1 | 39% | 0.385 | 60% | 0.598 | S | S | . | * | trans | -55.3 | 129.1 | 178.5 | -173.1 | -19.1 | 0 | 0 | 0 | 110.7 | S1329 K1333 T1334 | S1329-D1331 PolarHBondContact O-N 3.02Å; D1331-K1333 PolarHBondContact O-N 3Å; D1331-K1333 WeakPolarHBondContact OD1-CB 3.28Å; D1331-K1333 VanDerWaalsContact OD1-CG 3.3Å; D1331-K1333 WeakPolarHBondContact OD1-CG 3.46Å; D1331-K1333 PolarHBondContact OD1-N 2.98Å; D1331-K1333 IonicContact OD1-NZ 2.82Å; D1331-K1333 PolarHBondContact OD1-NZ 3.23Å; D1331-K1333 IonicContact OD2-NZ 3.61Å; D1331-K1333 PolarHBondContact OD2-NZ 3.22Å; D1331-T1334 WeakPolarHBondContact O-CB 3.38Å; D1331-T1334 PolarHBondContact O-N 3.13Å; D1331-T1334 PolarHBondContact O-OG1 3Å | ||
| 1332 | W | 73.4 | Confident | 64.3 | Low | 148 Ų | 148 | 106.7 Ų | 106.7 | 56% | 0.561 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -49.5 | -30.9 | 176.2 | 174.5 | -111.9 | 0 | 0 | 0 | 113 | T1330 T1334 V1335 S1336 E1397 | T1330-W1332 PolarHBondContact O-N 2.89Å; W1332-T1334 PolarHBondContact O-N 2.79Å; W1332-T1334 VanDerWaalsContact O-N 3.16Å; W1332-V1335 HydrophobicContact CE3-CB 4.29Å; W1332-V1335 HydrophobicContact CE3-CG2 4.47Å; W1332-V1335 HydrophobicContact CZ3-CG1 4.33Å; W1332-V1335 WeakPolarHBondContact O-CB 3.42Å; W1332-V1335 PolarHBondContact O-N 3.42Å; W1332-S1336 PolarHBondContact O-N 3.46Å; W1332-E1397 HydrophobicContact CH2-CG 4.5Å; W1332-E1397 WeakPolarHBondContact CH2-OE1 3.29Å; W1332-E1397 HydrophobicContact CZ3-CG 4.1Å |
| 1333 | K | 76.3 | Confident | 66.7 | Low | 137 Ų | 137 | 101.9 Ų | 101.9 | 60% | 0.596 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -54.7 | -32.6 | 172.7 | -63.3 | -178 | -155.7 | 88.5 | 0 | 112.8 | D1331 T1337 | D1331-K1333 PolarHBondContact O-N 3Å; D1331-K1333 WeakPolarHBondContact OD1-CB 3.28Å; D1331-K1333 VanDerWaalsContact OD1-CG 3.3Å; D1331-K1333 WeakPolarHBondContact OD1-CG 3.46Å; D1331-K1333 PolarHBondContact OD1-N 2.98Å; D1331-K1333 IonicContact OD1-NZ 2.82Å; D1331-K1333 PolarHBondContact OD1-NZ 3.23Å; D1331-K1333 IonicContact OD2-NZ 3.61Å; D1331-K1333 PolarHBondContact OD2-NZ 3.22Å; K1333-T1337 WeakPolarHBondContact O-CB 3.2Å; K1333-T1337 VanDerWaalsContact O-CG2 3.3Å; K1333-T1337 WeakPolarHBondContact O-CG2 3.22Å; K1333-T1337 PolarHBondContact O-N 2.92Å; K1333-T1337 PolarHBondContact O-OG1 3.19Å |
| 1334 | T | 77.2 | Confident | 69 | Low | 78 Ų | 78 | 99 Ų | 99 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.1 | -40.7 | 177.6 | -36.3 | 0 | 0 | 0 | 0 | 111.6 | D1331 W1332 T1337 T1338 | D1331-T1334 WeakPolarHBondContact O-CB 3.38Å; D1331-T1334 PolarHBondContact O-N 3.13Å; D1331-T1334 PolarHBondContact O-OG1 3Å; W1332-T1334 PolarHBondContact O-N 2.79Å; W1332-T1334 VanDerWaalsContact O-N 3.16Å; T1334-T1337 PolarHBondContact O-OG1 3.45Å; T1334-T1338 WeakPolarHBondContact O-CB 3.35Å; T1334-T1338 PolarHBondContact O-N 3.45Å; T1334-T1338 VanDerWaalsContact O-N 3.13Å; T1334-T1338 PolarHBondContact O-OG1 2.9Å |
| 1335 | V | 78.7 | Confident | 71.6 | Confident | 15 Ų | 15 | 93.1 Ų | 93.1 | 9% | 0.091 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -67.2 | -52.8 | 177.8 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | W1332 T1337 T1338 I1339 A1393 V1396 | W1332-V1335 HydrophobicContact CE3-CB 4.29Å; W1332-V1335 HydrophobicContact CE3-CG2 4.47Å; W1332-V1335 HydrophobicContact CZ3-CG1 4.33Å; W1332-V1335 WeakPolarHBondContact O-CB 3.42Å; W1332-V1335 PolarHBondContact O-N 3.42Å; V1335-T1337 PolarHBondContact O-N 3.34Å; V1335-T1338 PolarHBondContact O-N 3.25Å; V1335-I1339 HydrophobicContact CG1-CD1 4.24Å; V1335-I1339 WeakPolarHBondContact O-CG1 3.42Å; V1335-I1339 PolarHBondContact O-N 2.86Å; V1335-I1339 VanDerWaalsContact O-N 3.09Å; V1335-A1393 HydrophobicContact CG1-CB 3.73Å; V1335-V1396 HydrophobicContact CG2-CG1 4.27Å |
| 1336 | S | 79.7 | Confident | 74.1 | Confident | 55 Ų | 55 | 87.5 Ų | 87.5 | 39% | 0.385 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 179.4 | 179 | 0 | 0 | 0 | 0 | 113.3 | W1332 I1339 S1340 | W1332-S1336 PolarHBondContact O-N 3.46Å; S1336-I1339 PolarHBondContact O-N 3.36Å; S1336-S1340 WeakPolarHBondContact O-CB 3.3Å; S1336-S1340 PolarHBondContact O-N 3.2Å; S1336-S1340 PolarHBondContact O-OG 3.3Å |
| 1337 | T | 84.3 | Confident | 76.6 | Confident | 69 Ų | 69 | 81.7 Ų | 81.7 | 42% | 0.423 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.7 | -36.7 | 177.1 | 47.9 | 0 | 0 | 0 | 0 | 112.6 | K1333 T1334 V1335 S1340 Q1341 | K1333-T1337 WeakPolarHBondContact O-CB 3.2Å; K1333-T1337 VanDerWaalsContact O-CG2 3.3Å; K1333-T1337 WeakPolarHBondContact O-CG2 3.22Å; K1333-T1337 PolarHBondContact O-N 2.92Å; K1333-T1337 PolarHBondContact O-OG1 3.19Å; T1334-T1337 PolarHBondContact O-OG1 3.45Å; V1335-T1337 PolarHBondContact O-N 3.34Å; T1337-S1340 PolarHBondContact O-N 2.95Å; T1337-Q1341 WeakPolarHBondContact O-CB 3.34Å; T1337-Q1341 VanDerWaalsContact O-CG 3.29Å; T1337-Q1341 WeakPolarHBondContact O-CG 3.31Å; T1337-Q1341 PolarHBondContact O-N 3.12Å |
| 1338 | T | 83.8 | Confident | 78.9 | Confident | 45 Ų | 45 | 79.3 Ų | 79.3 | 28% | 0.276 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 176.3 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | T1334 V1335 S1342 R1389 | T1334-T1338 WeakPolarHBondContact O-CB 3.35Å; T1334-T1338 PolarHBondContact O-N 3.45Å; T1334-T1338 VanDerWaalsContact O-N 3.13Å; T1334-T1338 PolarHBondContact O-OG1 2.9Å; V1335-T1338 PolarHBondContact O-N 3.25Å; T1338-S1342 WeakPolarHBondContact O-CB 3.39Å; T1338-S1342 PolarHBondContact O-N 3.11Å; T1338-S1342 PolarHBondContact O-OG 3.27Å; T1338-R1389 HydrophobicContact CG2-CB 3.98Å; T1338-R1389 HydrophobicContact CG2-CG 4.34Å |
| 1339 | I | 85.1 | Confident | 81 | Confident | 65 Ų | 65 | 73.7 Ų | 73.7 | 33% | 0.333 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.2 | -47.6 | 174.4 | -64.7 | 168.4 | 0 | 0 | 0 | 110 | V1335 S1336 Q1341 S1342 A1343 I1390 A1393 | V1335-I1339 HydrophobicContact CG1-CD1 4.24Å; V1335-I1339 WeakPolarHBondContact O-CG1 3.42Å; V1335-I1339 PolarHBondContact O-N 2.86Å; V1335-I1339 VanDerWaalsContact O-N 3.09Å; S1336-I1339 PolarHBondContact O-N 3.36Å; I1339-Q1341 PolarHBondContact O-N 3.07Å; I1339-S1342 WeakPolarHBondContact O-CB 3.49Å; I1339-S1342 PolarHBondContact O-N 3.05Å; I1339-A1343 PolarHBondContact O-N 3.45Å; I1339-I1390 HydrophobicContact CG1-CG1 4.47Å; I1339-A1393 HydrophobicContact CD1-CB 4.1Å; I1339-A1393 HydrophobicContact CG1-CB 4.08Å |
| 1340 | S | 85.9 | Confident | 83.1 | Confident | 68 Ų | 68 | 74.6 Ų | 74.6 | 48% | 0.476 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | -178.2 | -58.5 | 0 | 0 | 0 | 0 | 113.2 | S1336 T1337 S1342 A1343 Q1344 | S1336-S1340 WeakPolarHBondContact O-CB 3.3Å; S1336-S1340 PolarHBondContact O-N 3.2Å; S1336-S1340 PolarHBondContact O-OG 3.3Å; T1337-S1340 PolarHBondContact O-N 2.95Å; S1340-S1342 VanDerWaalsContact C-N 3.34Å; S1340-A1343 PolarHBondContact O-N 3Å; S1340-Q1344 WeakPolarHBondContact O-CB 3.38Å; S1340-Q1344 PolarHBondContact O-N 2.99Å |
| 1341 | Q | 87.1 | Confident | 84.6 | Confident | 114 Ų | 114 | 73.3 Ų | 73.3 | 53% | 0.533 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 175.5 | -74.1 | 172.5 | 6.6 | 0 | 0 | 111.5 | T1337 I1339 Q1344 E1345 | T1337-Q1341 WeakPolarHBondContact O-CB 3.34Å; T1337-Q1341 VanDerWaalsContact O-CG 3.29Å; T1337-Q1341 WeakPolarHBondContact O-CG 3.31Å; T1337-Q1341 PolarHBondContact O-N 3.12Å; I1339-Q1341 PolarHBondContact O-N 3.07Å; Q1341-Q1344 PolarHBondContact O-N 3.15Å; Q1341-E1345 PolarHBondContact O-N 3.06Å |
| 1342 | S | 87.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.4 | -41.4 | -179.6 | -55.1 | 0 | 0 | 0 | 0 | 112.3 | T1338 I1339 S1340 Q1344 E1345 V1346 R1389 | T1338-S1342 WeakPolarHBondContact O-CB 3.39Å; T1338-S1342 PolarHBondContact O-N 3.11Å; T1338-S1342 PolarHBondContact O-OG 3.27Å; I1339-S1342 WeakPolarHBondContact O-CB 3.49Å; I1339-S1342 PolarHBondContact O-N 3.05Å; S1340-S1342 VanDerWaalsContact C-N 3.34Å; S1342-Q1344 VanDerWaalsContact C-N 3.35Å; S1342-E1345 PolarHBondContact O-N 3.49Å; S1342-V1346 PolarHBondContact O-N 3.28Å; S1342-R1389 WeakPolarHBondContact OG-CD 3.49Å; S1342-R1389 PolarHBondContact OG-NH1 2.92Å; S1342-R1389 VanDerWaalsContact OG-NH1 3.1Å |
| 1343 | A | 86.1 | Confident | 86.5 | Confident | 61 Ų | 61 | 68.9 Ų | 68.9 | 50% | 0.504 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | I1339 S1340 E1345 V1346 A1347 | I1339-A1343 PolarHBondContact O-N 3.45Å; S1340-A1343 PolarHBondContact O-N 3Å; A1343-E1345 PolarHBondContact O-N 3.42Å; A1343-V1346 PolarHBondContact O-N 2.95Å; A1343-A1347 WeakPolarHBondContact O-CB 3.38Å; A1343-A1347 PolarHBondContact O-N 3.39Å |
| 1344 | Q | 89.6 | Confident | 87.1 | Confident | 113 Ų | 113 | 66.9 Ų | 66.9 | 53% | 0.528 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.8 | -31.3 | -179.9 | -154.8 | -165.4 | 58.5 | 0 | 0 | 113.2 | S1340 Q1341 S1342 K1348 | S1340-Q1344 WeakPolarHBondContact O-CB 3.38Å; S1340-Q1344 PolarHBondContact O-N 2.99Å; Q1341-Q1344 PolarHBondContact O-N 3.15Å; S1342-Q1344 VanDerWaalsContact C-N 3.35Å; Q1344-K1348 WeakPolarHBondContact O-CD 3.42Å; Q1344-K1348 VanDerWaalsContact O-CG 3.27Å; Q1344-K1348 WeakPolarHBondContact O-CG 3.48Å; Q1344-K1348 PolarHBondContact O-N 3.02Å |
| 1345 | E | 89 | Confident | 87.7 | Confident | 72 Ų | 72 | 65.5 Ų | 65.5 | 34% | 0.336 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67 | -45.7 | 173.3 | -74.9 | 172.4 | 169.9 | 0 | 0 | 111.7 | Q1341 S1342 A1343 K1348 L1349 R1389 | Q1341-E1345 PolarHBondContact O-N 3.06Å; S1342-E1345 PolarHBondContact O-N 3.49Å; A1343-E1345 PolarHBondContact O-N 3.42Å; E1345-K1348 PolarHBondContact O-N 3.37Å; E1345-L1349 PolarHBondContact O-N 3.36Å; E1345-R1389 IonicContact OE1-CZ 2.68Å; E1345-R1389 IonicContact OE1-NH1 3.72Å; E1345-R1389 IonicContact OE1-NH2 3.46Å; E1345-R1389 PolarHBondContact OE1-NH2 2.81Å; E1345-R1389 IonicContact OE2-CZ 3.23Å; E1345-R1389 IonicContact OE2-NH1 2.62Å; E1345-R1389 PolarHBondContact OE2-NH1 3.45Å; E1345-R1389 IonicContact OE2-NH2 2.69Å; E1345-R1389 PolarHBondContact OE2-NH2 2.72Å |
| 1346 | V | 90.7 | Very high | 88.2 | Confident | 32 Ų | 32 | 64.9 Ų | 64.9 | 19% | 0.194 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 177.5 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | S1342 A1343 K1348 L1349 Y1350 L1379 A1382 L1383 A1386 | S1342-V1346 PolarHBondContact O-N 3.28Å; A1343-V1346 PolarHBondContact O-N 2.95Å; V1346-K1348 VanDerWaalsContact C-N 3.32Å; V1346-K1348 PolarHBondContact O-N 3.31Å; V1346-L1349 PolarHBondContact O-N 3.43Å; V1346-Y1350 PolarHBondContact O-N 3.07Å; V1346-L1379 HydrophobicContact CG1-CD1 4.16Å; V1346-A1382 HydrophobicContact CG2-CB 4.37Å; V1346-L1383 HydrophobicContact CG1-CD2 3.79Å; V1346-L1383 HydrophobicContact CG1-CG 4.39Å; V1346-L1383 HydrophobicContact CG2-CD2 3.99Å; V1346-L1383 HydrophobicContact CG2-CG 4.39Å; V1346-A1386 HydrophobicContact CG2-CB 4.09Å |
| 1347 | A | 89.1 | Confident | 88.6 | Confident | 58 Ų | 58 | 67.1 Ų | 67.1 | 48% | 0.479 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60 | -38.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | A1343 L1349 Y1350 A1351 | A1343-A1347 WeakPolarHBondContact O-CB 3.38Å; A1343-A1347 PolarHBondContact O-N 3.39Å; A1347-L1349 PolarHBondContact O-N 2.86Å; A1347-Y1350 PolarHBondContact O-N 2.78Å; A1347-A1351 PolarHBondContact O-N 3.35Å |
| 1348 | K | 91.8 | Very high | 88.7 | Confident | 112 Ų | 112 | 68.9 Ų | 68.9 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 176.3 | -75.4 | 165.9 | -173.7 | 162 | 0 | 112.4 | Q1344 E1345 V1346 Q1352 | Q1344-K1348 WeakPolarHBondContact O-CD 3.42Å; Q1344-K1348 VanDerWaalsContact O-CG 3.27Å; Q1344-K1348 WeakPolarHBondContact O-CG 3.48Å; Q1344-K1348 PolarHBondContact O-N 3.02Å; E1345-K1348 PolarHBondContact O-N 3.37Å; V1346-K1348 VanDerWaalsContact C-N 3.32Å; V1346-K1348 PolarHBondContact O-N 3.31Å; K1348-Q1352 WeakPolarHBondContact O-CG 3.37Å; K1348-Q1352 PolarHBondContact O-N 3.05Å; K1348-Q1352 VanDerWaalsContact O-N 3.12Å |
| 1349 | L | 91 | Very high | 88.8 | Confident | 24 Ų | 24 | 70.7 Ų | 70.7 | 13% | 0.126 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -73.4 | -36.6 | 178.9 | -76.3 | 162.6 | 0 | 0 | 0 | 112.3 | E1345 V1346 A1347 Q1352 I1353 Q1378 L1379 A1382 | E1345-L1349 PolarHBondContact O-N 3.36Å; V1346-L1349 PolarHBondContact O-N 3.43Å; A1347-L1349 PolarHBondContact O-N 2.86Å; L1349-Q1352 PolarHBondContact O-N 2.98Å; L1349-I1353 WeakPolarHBondContact O-CG1 3.31Å; L1349-I1353 PolarHBondContact O-N 3.42Å; L1349-Q1378 HydrophobicContact CD1-CB 4.41Å; L1349-Q1378 HydrophobicContact CD2-CB 3.79Å; L1349-L1379 HydrophobicContact CB-CD1 3.99Å; L1349-A1382 HydrophobicContact CD1-CB 3.37Å |
| 1350 | Y | 90 | Very high | 88.8 | Confident | 146 Ų | 146 | 68.9 Ų | 68.9 | 57% | 0.573 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.6 | -46.9 | 172.2 | -168.4 | -85.9 | 0 | 0 | 0 | 111.3 | V1346 A1347 Q1352 I1353 Q1354 | V1346-Y1350 PolarHBondContact O-N 3.07Å; A1347-Y1350 PolarHBondContact O-N 2.78Å; Y1350-Q1352 VanDerWaalsContact C-N 3.32Å; Y1350-Q1352 PolarHBondContact O-N 3.21Å; Y1350-I1353 PolarHBondContact O-N 2.89Å; Y1350-I1353 VanDerWaalsContact O-N 3.14Å; Y1350-Q1354 PolarHBondContact O-N 3.35Å |
| 1351 | A | 90.4 | Very high | 88.4 | Confident | 56 Ų | 56 | 71.6 Ų | 71.6 | 46% | 0.463 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.6 | -37.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1347 Q1354 A1355 | A1347-A1351 PolarHBondContact O-N 3.35Å; A1351-Q1354 PolarHBondContact O-N 3.25Å; A1351-A1355 WeakPolarHBondContact O-CB 3.25Å; A1351-A1355 PolarHBondContact O-N 3.41Å |
| 1352 | Q | 92.3 | Very high | 88.1 | Confident | 106 Ų | 106 | 70 Ų | 70 | 50% | 0.495 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.1 | -35.3 | 174.6 | -75.9 | -179.6 | -2.9 | 0 | 0 | 113.3 | K1348 L1349 Y1350 Y1356 L1375 | K1348-Q1352 WeakPolarHBondContact O-CG 3.37Å; K1348-Q1352 PolarHBondContact O-N 3.05Å; K1348-Q1352 VanDerWaalsContact O-N 3.12Å; L1349-Q1352 PolarHBondContact O-N 2.98Å; Y1350-Q1352 VanDerWaalsContact C-N 3.32Å; Y1350-Q1352 PolarHBondContact O-N 3.21Å; Q1352-Y1356 WeakPolarHBondContact O-CB 3.42Å; Q1352-Y1356 PolarHBondContact O-N 2.73Å; Q1352-L1375 HydrophobicContact CB-CD2 4.28Å |
| 1353 | I | 90.3 | Very high | 87.5 | Confident | 21 Ų | 21 | 76 Ų | 76 | 11% | 0.108 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.2 | -46 | 174.4 | -71 | 163 | 0 | 0 | 0 | 110.3 | L1349 Y1350 Y1356 Y1357 L1375 L1379 | L1349-I1353 WeakPolarHBondContact O-CG1 3.31Å; L1349-I1353 PolarHBondContact O-N 3.42Å; Y1350-I1353 PolarHBondContact O-N 2.89Å; Y1350-I1353 VanDerWaalsContact O-N 3.14Å; I1353-Y1356 WeakPolarHBondContact O-CB 3.43Å; I1353-Y1356 PolarHBondContact O-N 3.47Å; I1353-Y1357 HydrophobicContact CG2-CD2 3.96Å; I1353-Y1357 HydrophobicContact CG2-CE2 3.82Å; I1353-Y1357 WeakPolarHBondContact O-CD2 3.28Å; I1353-Y1357 PolarHBondContact O-N 2.94Å; I1353-Y1357 VanDerWaalsContact O-N 3.09Å; I1353-L1375 HydrophobicContact CD1-CB 4.32Å; I1353-L1375 HydrophobicContact CG1-CB 3.68Å; I1353-L1375 HydrophobicContact CG1-CD1 4.39Å; I1353-L1379 HydrophobicContact CD1-CB 4Å; I1353-L1379 HydrophobicContact CD1-CD2 3.75Å; I1353-L1379 HydrophobicContact CD1-CG 4.38Å |
| 1354 | Q | 89.8 | Confident | 86.4 | Confident | 94 Ų | 94 | 83 Ų | 83 | 44% | 0.439 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.4 | -49.8 | 179.1 | 178.4 | 169 | -18.5 | 0 | 0 | 111.9 | Y1350 A1351 Y1356 Y1357 E1358 | Y1350-Q1354 PolarHBondContact O-N 3.35Å; A1351-Q1354 PolarHBondContact O-N 3.25Å; Q1354-Y1356 PolarHBondContact O-N 2.83Å; Q1354-Y1357 PolarHBondContact O-N 3.36Å; Q1354-E1358 WeakPolarHBondContact CG-OE1 3.37Å; Q1354-E1358 PolarHBondContact NE2-OE1 3.03Å; Q1354-E1358 PolarHBondContact O-N 3.43Å |
| 1355 | A | 89.8 | Confident | 85.1 | Confident | 50 Ų | 50 | 85.1 Ų | 85.1 | 41% | 0.413 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58.9 | -31.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1351 E1359 | A1351-A1355 WeakPolarHBondContact O-CB 3.25Å; A1351-A1355 PolarHBondContact O-N 3.41Å; A1355-E1359 VanDerWaalsContact O-CB 3.27Å; A1355-E1359 WeakPolarHBondContact O-CB 3.46Å; A1355-E1359 PolarHBondContact O-N 3.25Å |
| 1356 | Y | 89.9 | Confident | 84.1 | Confident | 1 Ų | 1 | 93.1 Ų | 93.1 | 0% | 0.004 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -71 | -36.4 | 173.8 | 177.3 | -110.2 | 0 | 0 | 0 | 113 | Q1352 I1353 Q1354 Q1360 P1367 S1368 R1371 L1372 L1375 | Q1352-Y1356 WeakPolarHBondContact O-CB 3.42Å; Q1352-Y1356 PolarHBondContact O-N 2.73Å; I1353-Y1356 WeakPolarHBondContact O-CB 3.43Å; I1353-Y1356 PolarHBondContact O-N 3.47Å; Q1354-Y1356 PolarHBondContact O-N 2.83Å; Y1356-Q1360 HydrophobicContact CD2-CG 4.24Å; Y1356-Q1360 HydrophobicContact CE1-CG 4.18Å; Y1356-Q1360 HydrophobicContact CE2-CG 3.76Å; Y1356-Q1360 VanDerWaalsContact O-CG 3.3Å; Y1356-Q1360 WeakPolarHBondContact O-CG 3.22Å; Y1356-Q1360 PolarHBondContact O-N 3.1Å; Y1356-P1367 HydrophobicContact CE1-CB 4.15Å; Y1356-S1368 PolarHBondContact OH-N 2.99Å; Y1356-S1368 PolarHBondContact OH-O 2.85Å; Y1356-S1368 PolarHBondContact OH-OG 3.15Å; Y1356-S1368 VanDerWaalsContact OH-OG 3.08Å; Y1356-R1371 HydrophobicContact CD2-CG 4.31Å; Y1356-R1371 HydrophobicContact CE2-CB 4.33Å; Y1356-R1371 HydrophobicContact CE2-CG 3.91Å; Y1356-L1372 HydrophobicContact CD1-CD1 4.27Å; Y1356-L1372 HydrophobicContact CE1-CB 3.97Å; Y1356-L1372 HydrophobicContact CE1-CD1 4.34Å; Y1356-L1375 HydrophobicContact CD1-CD1 4.27Å; Y1356-L1375 HydrophobicContact CG-CD1 4.15Å |
| 1357 | Y | 87.2 | Confident | 83.2 | Confident | 102 Ų | 102 | 93.8 Ų | 93.8 | 40% | 0.4 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 172 | -84.8 | -75.4 | 0 | 0 | 0 | 112 | I1353 Q1354 Q1360 N1361 L1372 | I1353-Y1357 HydrophobicContact CG2-CD2 3.96Å; I1353-Y1357 HydrophobicContact CG2-CE2 3.82Å; I1353-Y1357 WeakPolarHBondContact O-CD2 3.28Å; I1353-Y1357 PolarHBondContact O-N 2.94Å; I1353-Y1357 VanDerWaalsContact O-N 3.09Å; Q1354-Y1357 PolarHBondContact O-N 3.36Å; Y1357-Q1360 PolarHBondContact O-N 2.92Å; Y1357-N1361 WeakPolarHBondContact O-CB 3.49Å; Y1357-N1361 PolarHBondContact O-N 2.81Å; Y1357-L1372 HydrophobicContact CE2-CD1 3.81Å |
| 1358 | E | 87.1 | Confident | 82.8 | Confident | 107 Ų | 107 | 94.2 Ų | 94.2 | 50% | 0.5 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 175.4 | -68.5 | 163.1 | -175.4 | 0 | 0 | 111.1 | Q1354 Q1360 N1361 A1362 | Q1354-E1358 WeakPolarHBondContact CG-OE1 3.37Å; Q1354-E1358 PolarHBondContact NE2-OE1 3.03Å; Q1354-E1358 PolarHBondContact O-N 3.43Å; E1358-Q1360 VanDerWaalsContact C-N 3.35Å; E1358-Q1360 PolarHBondContact O-N 2.74Å; E1358-N1361 PolarHBondContact O-N 3.49Å; E1358-A1362 WeakPolarHBondContact O-CB 3.39Å; E1358-A1362 PolarHBondContact O-N 2.94Å |
| 1359 | E | 86.1 | Confident | 82.4 | Confident | 83 Ų | 83 | 97.7 Ų | 97.7 | 39% | 0.388 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.5 | -39.1 | 174 | -178.9 | -177.7 | -133.6 | 0 | 0 | 112.9 | A1355 H1363 R1371 | A1355-E1359 VanDerWaalsContact O-CB 3.27Å; A1355-E1359 WeakPolarHBondContact O-CB 3.46Å; A1355-E1359 PolarHBondContact O-N 3.25Å; E1359-H1363 PolarHBondContact O-CD2 3.22Å; E1359-R1371 IonicContact OE1-NH1 2.75Å; E1359-R1371 IonicContact OE2-CZ 2.92Å; E1359-R1371 IonicContact OE2-NH1 3.86Å; E1359-R1371 PolarHBondContact OE2-NH1 3.38Å; E1359-R1371 IonicContact OE2-NH2 3.54Å; E1359-R1371 PolarHBondContact OE2-NH2 2.84Å |
| 1360 | Q | 83.5 | Confident | 82 | Confident | 26 Ų | 26 | 104.6 Ų | 104.6 | 12% | 0.121 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -77 | -40 | 178.5 | -66.7 | -59.4 | -73.8 | 0 | 0 | 112.8 | Y1356 Y1357 E1358 A1362 H1363 F1364 P1367 | Y1356-Q1360 HydrophobicContact CD2-CG 4.24Å; Y1356-Q1360 HydrophobicContact CE1-CG 4.18Å; Y1356-Q1360 HydrophobicContact CE2-CG 3.76Å; Y1356-Q1360 VanDerWaalsContact O-CG 3.3Å; Y1356-Q1360 WeakPolarHBondContact O-CG 3.22Å; Y1356-Q1360 PolarHBondContact O-N 3.1Å; Y1357-Q1360 PolarHBondContact O-N 2.92Å; E1358-Q1360 VanDerWaalsContact C-N 3.35Å; E1358-Q1360 PolarHBondContact O-N 2.74Å; Q1360-A1362 VanDerWaalsContact C-N 3.32Å; Q1360-A1362 PolarHBondContact O-N 3.19Å; Q1360-H1363 PolarHBondContact O-N 2.75Å; Q1360-H1363 VanDerWaalsContact O-N 3.13Å; Q1360-F1364 PolarHBondContact O-N 3.44Å; Q1360-P1367 HydrophobicContact CB-CG 3.96Å; Q1360-P1367 HydrophobicContact CG-CB 4.1Å; Q1360-P1367 HydrophobicContact CG-CG 4Å |
| 1361 | N | 79 | Confident | 81.8 | Confident | 125 Ų | 125 | 103.1 Ų | 103.1 | 67% | 0.668 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.8 | -41.1 | 176.4 | -78.5 | -11.3 | 0 | 0 | 0 | 111.5 | Y1357 E1358 H1363 | Y1357-N1361 WeakPolarHBondContact O-CB 3.49Å; Y1357-N1361 PolarHBondContact O-N 2.81Å; E1358-N1361 PolarHBondContact O-N 3.49Å; N1361-H1363 PolarHBondContact O-N 3.03Å |
| 1362 | A | 80.4 | Confident | 81.8 | Confident | 80 Ų | 80 | 102 Ų | 102 | 66% | 0.661 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -19.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1358 Q1360 | E1358-A1362 WeakPolarHBondContact O-CB 3.39Å; E1358-A1362 PolarHBondContact O-N 2.94Å; Q1360-A1362 VanDerWaalsContact C-N 3.32Å; Q1360-A1362 PolarHBondContact O-N 3.19Å |
| 1363 | H | 74.4 | Confident | 81.7 | Confident | 126 Ų | 126 | 100.1 Ų | 100.1 | 58% | 0.583 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | 2.1 | -173.6 | -77.3 | -41.9 | 0 | 0 | 0 | 115.4 | E1359 Q1360 N1361 K1365 | E1359-H1363 PolarHBondContact O-CD2 3.22Å; Q1360-H1363 PolarHBondContact O-N 2.75Å; Q1360-H1363 VanDerWaalsContact O-N 3.13Å; N1361-H1363 PolarHBondContact O-N 3.03Å; H1363-K1365 PolarHBondContact O-N 2.76Å |
| 1364 | F | 62.1 | Low | 81.8 | Confident | 210 Ų | 210 | 104.4 Ų | 104.4 | 92% | 0.921 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 14.5 | 178.3 | -112.2 | -81 | 0 | 0 | 0 | 115.6 | Q1360 | Q1360-F1364 PolarHBondContact O-N 3.44Š|
| 1365 | K | 63.2 | Low | 81.9 | Confident | 157 Ų | 157 | 100.7 Ų | 100.7 | 68% | 0.683 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -98.4 | 142.5 | 178.7 | -74.9 | 172.2 | -178.1 | 175.6 | 0 | 109.2 | H1363 | H1363-K1365 PolarHBondContact O-N 2.76Š|
| 1366 | R | 67.7 | Low | 82 | Confident | 239 Ų | 239 | 102.3 Ų | 102.3 | 90% | 0.902 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -63 | 129.6 | 175.8 | -80.4 | -178.2 | 168.4 | 173.9 | -3.1 | 109.7 | S1368 | R1366-S1368 PolarHBondContact O-N 3.35Š|
| 1367 | P | 72.2 | Confident | 82.1 | Confident | 47 Ų | 47 | 108.4 Ų | 108.4 | 31% | 0.305 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -49.3 | 130.5 | 175.2 | -28.9 | 33.9 | 0 | 0 | 0 | 112.5 | Y1356 Q1360 K1369 | Y1356-P1367 HydrophobicContact CE1-CB 4.15Å; Q1360-P1367 HydrophobicContact CB-CG 3.96Å; Q1360-P1367 HydrophobicContact CG-CB 4.1Å; Q1360-P1367 HydrophobicContact CG-CG 4Å; P1367-K1369 PolarHBondContact O-N 3.37Å |
| 1368 | S | 81.3 | Confident | 82.4 | Confident | 66 Ų | 66 | 107.4 Ų | 107.4 | 46% | 0.462 | 52% | 0.518 | S | S | . | . | trans | -67.5 | 104.9 | 175.7 | 55.4 | 0 | 0 | 0 | 0 | 109.5 | Y1356 R1366 H1370 R1371 L1372 | Y1356-S1368 PolarHBondContact OH-N 2.99Å; Y1356-S1368 PolarHBondContact OH-O 2.85Å; Y1356-S1368 PolarHBondContact OH-OG 3.15Å; Y1356-S1368 VanDerWaalsContact OH-OG 3.08Å; R1366-S1368 PolarHBondContact O-N 3.35Å; S1368-H1370 PolarHBondContact O-N 3.04Å; S1368-R1371 PolarHBondContact O-N 3.29Å; S1368-L1372 PolarHBondContact O-N 3.19Å | ||
| 1369 | K | 81.9 | Confident | 82.7 | Confident | 185 Ų | 185 | 103.6 Ų | 103.6 | 80% | 0.804 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -47.7 | -34.6 | -173.2 | -68 | -173.9 | 176.2 | -175.5 | 0 | 113.7 | P1367 S1373 | P1367-K1369 PolarHBondContact O-N 3.37Å; K1369-S1373 WeakPolarHBondContact O-CB 3.04Å; K1369-S1373 PolarHBondContact O-N 2.98Å |
| 1370 | H | 83.9 | Confident | 82.9 | Confident | 169 Ų | 169 | 104.8 Ų | 104.8 | 78% | 0.782 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.1 | -45 | 174.7 | -83.9 | -62.7 | 0 | 0 | 0 | 114.4 | S1368 S1373 H1374 | S1368-H1370 PolarHBondContact O-N 3.04Å; H1370-S1373 PolarHBondContact O-N 2.8Å; H1370-H1374 WeakPolarHBondContact O-CB 3.39Å; H1370-H1374 PolarHBondContact O-N 3.02Å |
| 1371 | R | 86.1 | Confident | 83.3 | Confident | 115 Ų | 115 | 108 Ų | 108 | 43% | 0.434 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.4 | -41 | -179.2 | -176.3 | 167 | 168.4 | -146.4 | -12.4 | 110.8 | Y1356 E1359 S1368 H1374 L1375 | Y1356-R1371 HydrophobicContact CD2-CG 4.31Å; Y1356-R1371 HydrophobicContact CE2-CB 4.33Å; Y1356-R1371 HydrophobicContact CE2-CG 3.91Å; E1359-R1371 IonicContact OE1-NH1 2.75Å; E1359-R1371 IonicContact OE2-CZ 2.92Å; E1359-R1371 IonicContact OE2-NH1 3.86Å; E1359-R1371 PolarHBondContact OE2-NH1 3.38Å; E1359-R1371 IonicContact OE2-NH2 3.54Å; E1359-R1371 PolarHBondContact OE2-NH2 2.84Å; S1368-R1371 PolarHBondContact O-N 3.29Å; R1371-H1374 PolarHBondContact O-N 3.37Å; R1371-L1375 HydrophobicContact CG-CD1 4.48Å; R1371-L1375 WeakPolarHBondContact O-CG 3.33Å; R1371-L1375 PolarHBondContact O-N 2.86Å; R1371-L1375 VanDerWaalsContact O-N 3.12Å |
| 1372 | L | 90.2 | Very high | 83.8 | Confident | 32 Ų | 32 | 102.6 Ų | 102.6 | 17% | 0.168 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -62 | -47.6 | 172.8 | -174 | 58.5 | 0 | 0 | 0 | 112 | Y1356 Y1357 S1368 H1374 L1375 L1376 | Y1356-L1372 HydrophobicContact CD1-CD1 4.27Å; Y1356-L1372 HydrophobicContact CE1-CB 3.97Å; Y1356-L1372 HydrophobicContact CE1-CD1 4.34Å; Y1357-L1372 HydrophobicContact CE2-CD1 3.81Å; S1368-L1372 PolarHBondContact O-N 3.19Å; L1372-H1374 VanDerWaalsContact C-N 3.31Å; L1372-H1374 PolarHBondContact O-N 3.49Å; L1372-L1375 PolarHBondContact O-N 3.39Å; L1372-L1376 HydrophobicContact CD1-CD1 4.11Å; L1372-L1376 HydrophobicContact CG-CD1 4.03Å; L1372-L1376 WeakPolarHBondContact O-CB 3.44Å; L1372-L1376 PolarHBondContact O-N 2.91Å |
| 1373 | S | 89 | Confident | 84.3 | Confident | 67 Ų | 67 | 102.1 Ų | 102.1 | 47% | 0.469 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.3 | -36.6 | 178.8 | -171.4 | 0 | 0 | 0 | 0 | 112.6 | K1369 H1370 Q1377 | K1369-S1373 WeakPolarHBondContact O-CB 3.04Å; K1369-S1373 PolarHBondContact O-N 2.98Å; H1370-S1373 PolarHBondContact O-N 2.8Å; S1373-Q1377 WeakPolarHBondContact O-CB 3.36Å; S1373-Q1377 PolarHBondContact O-N 3.17Å |
| 1374 | H | 92.3 | Very high | 85 | Confident | 112 Ų | 112 | 103.3 Ų | 103.3 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.8 | -48.1 | 176.4 | -175.9 | -83.1 | 0 | 0 | 0 | 111.5 | H1370 R1371 L1372 L1376 Q1377 Q1378 | H1370-H1374 WeakPolarHBondContact O-CB 3.39Å; H1370-H1374 PolarHBondContact O-N 3.02Å; R1371-H1374 PolarHBondContact O-N 3.37Å; L1372-H1374 VanDerWaalsContact C-N 3.31Å; L1372-H1374 PolarHBondContact O-N 3.49Å; H1374-L1376 PolarHBondContact O-N 3.4Å; H1374-Q1377 PolarHBondContact O-N 3.04Å; H1374-Q1378 PolarHBondContact CE1-OE1 3.41Å; H1374-Q1378 PolarHBondContact ND1-OE1 3.12Å; H1374-Q1378 WeakPolarHBondContact O-CG 3.2Å; H1374-Q1378 PolarHBondContact O-N 3.22Å |
| 1375 | L | 93.1 | Very high | 86.3 | Confident | 16 Ų | 16 | 95.5 Ų | 95.5 | 8% | 0.084 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 177.5 | -69.3 | 169.6 | 0 | 0 | 0 | 111.9 | Q1352 I1353 Y1356 R1371 L1372 Q1377 Q1378 L1379 | Q1352-L1375 HydrophobicContact CB-CD2 4.28Å; I1353-L1375 HydrophobicContact CD1-CB 4.32Å; I1353-L1375 HydrophobicContact CG1-CB 3.68Å; I1353-L1375 HydrophobicContact CG1-CD1 4.39Å; Y1356-L1375 HydrophobicContact CD1-CD1 4.27Å; Y1356-L1375 HydrophobicContact CG-CD1 4.15Å; R1371-L1375 HydrophobicContact CG-CD1 4.48Å; R1371-L1375 WeakPolarHBondContact O-CG 3.33Å; R1371-L1375 PolarHBondContact O-N 2.86Å; R1371-L1375 VanDerWaalsContact O-N 3.12Å; L1372-L1375 PolarHBondContact O-N 3.39Å; L1375-Q1377 VanDerWaalsContact C-N 3.35Å; L1375-Q1377 PolarHBondContact O-N 3.38Å; L1375-Q1378 PolarHBondContact O-N 3.03Å; L1375-L1379 WeakPolarHBondContact O-CB 3.44Å; L1375-L1379 PolarHBondContact O-N 2.87Å |
| 1376 | L | 91 | Very high | 87.5 | Confident | 83 Ų | 83 | 88.3 Ų | 88.3 | 44% | 0.435 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.4 | -40 | 173.1 | -103.4 | 139 | 0 | 0 | 0 | 112.6 | L1372 H1374 L1379 M1380 | L1372-L1376 HydrophobicContact CD1-CD1 4.11Å; L1372-L1376 HydrophobicContact CG-CD1 4.03Å; L1372-L1376 WeakPolarHBondContact O-CB 3.44Å; L1372-L1376 PolarHBondContact O-N 2.91Å; H1374-L1376 PolarHBondContact O-N 3.4Å; L1376-L1379 PolarHBondContact O-N 2.91Å; L1376-M1380 WeakPolarHBondContact O-CG 3.47Å; L1376-M1380 PolarHBondContact O-N 3.47Å |
| 1377 | Q | 92.8 | Very high | 88.4 | Confident | 130 Ų | 130 | 81.7 Ų | 81.7 | 61% | 0.607 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -69.3 | -37.4 | 177.6 | -170.7 | 167 | -1.8 | 0 | 0 | 112 | S1373 H1374 L1375 M1380 E1381 | S1373-Q1377 WeakPolarHBondContact O-CB 3.36Å; S1373-Q1377 PolarHBondContact O-N 3.17Å; H1374-Q1377 PolarHBondContact O-N 3.04Å; L1375-Q1377 VanDerWaalsContact C-N 3.35Å; L1375-Q1377 PolarHBondContact O-N 3.38Å; Q1377-M1380 PolarHBondContact O-N 3.3Å; Q1377-E1381 PolarHBondContact O-N 3.02Å; Q1377-E1381 VanDerWaalsContact O-N 3.12Å |
| 1378 | Q | 92.9 | Very high | 89.2 | Confident | 80 Ų | 80 | 83.1 Ų | 83.1 | 37% | 0.374 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 171 | -70.1 | 178.8 | -68.2 | 0 | 0 | 111.9 | L1349 H1374 L1375 M1380 E1381 A1382 | L1349-Q1378 HydrophobicContact CD1-CB 4.41Å; L1349-Q1378 HydrophobicContact CD2-CB 3.79Å; H1374-Q1378 PolarHBondContact CE1-OE1 3.41Å; H1374-Q1378 PolarHBondContact ND1-OE1 3.12Å; H1374-Q1378 WeakPolarHBondContact O-CG 3.2Å; H1374-Q1378 PolarHBondContact O-N 3.22Å; L1375-Q1378 PolarHBondContact O-N 3.03Å; Q1378-M1380 PolarHBondContact O-N 2.55Å; Q1378-E1381 PolarHBondContact O-N 2.94Å; Q1378-A1382 WeakPolarHBondContact O-CB 3.43Å; Q1378-A1382 PolarHBondContact O-N 3.27Å |
| 1379 | L | 92.8 | Very high | 89.6 | Confident | 28 Ų | 28 | 83.4 Ų | 83.4 | 15% | 0.147 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60 | -44.9 | 175.9 | -178 | 67.7 | 0 | 0 | 0 | 111.5 | V1346 L1349 I1353 L1375 L1376 E1381 A1382 L1383 | V1346-L1379 HydrophobicContact CG1-CD1 4.16Å; L1349-L1379 HydrophobicContact CB-CD1 3.99Å; I1353-L1379 HydrophobicContact CD1-CB 4Å; I1353-L1379 HydrophobicContact CD1-CD2 3.75Å; I1353-L1379 HydrophobicContact CD1-CG 4.38Å; L1375-L1379 WeakPolarHBondContact O-CB 3.44Å; L1375-L1379 PolarHBondContact O-N 2.87Å; L1376-L1379 PolarHBondContact O-N 2.91Å; L1379-E1381 VanDerWaalsContact C-N 3.34Å; L1379-E1381 PolarHBondContact O-N 3.44Å; L1379-A1382 PolarHBondContact O-N 2.72Å; L1379-L1383 HydrophobicContact CD1-CD1 4.4Å; L1379-L1383 HydrophobicContact CG-CD1 4.02Å; L1379-L1383 WeakPolarHBondContact O-CB 3.42Å; L1379-L1383 VanDerWaalsContact O-CG 3.3Å; L1379-L1383 WeakPolarHBondContact O-CG 3.49Å; L1379-L1383 PolarHBondContact O-N 2.95Å |
| 1380 | M | 91.5 | Very high | 89.7 | Confident | 107 Ų | 107 | 77.6 Ų | 77.6 | 53% | 0.527 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.7 | -36.2 | 176.9 | -73.4 | -155.9 | -60.8 | 0 | 0 | 113.2 | L1376 Q1377 Q1378 R1384 | L1376-M1380 WeakPolarHBondContact O-CG 3.47Å; L1376-M1380 PolarHBondContact O-N 3.47Å; Q1377-M1380 PolarHBondContact O-N 3.3Å; Q1378-M1380 PolarHBondContact O-N 2.55Å; M1380-R1384 WeakPolarHBondContact O-CB 3.4Å; M1380-R1384 PolarHBondContact O-N 3.16Å |
| 1381 | E | 91.1 | Very high | 89.8 | Confident | 95 Ų | 95 | 72.6 Ų | 72.6 | 44% | 0.444 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -74.9 | -35.6 | 178 | -164 | 58.7 | -152.5 | 0 | 0 | 112.3 | Q1377 Q1378 L1379 R1384 T1385 | Q1377-E1381 PolarHBondContact O-N 3.02Å; Q1377-E1381 VanDerWaalsContact O-N 3.12Å; Q1378-E1381 PolarHBondContact O-N 2.94Å; L1379-E1381 VanDerWaalsContact C-N 3.34Å; L1379-E1381 PolarHBondContact O-N 3.44Å; E1381-R1384 PolarHBondContact O-N 3.07Å; E1381-R1384 IonicContact OE2-CZ 3.61Å; E1381-R1384 IonicContact OE2-NH1 2.78Å; E1381-R1384 PolarHBondContact OE2-NH1 3.08Å; E1381-T1385 WeakPolarHBondContact O-CB 3.47Å; E1381-T1385 PolarHBondContact O-N 2.96Å; E1381-T1385 PolarHBondContact O-OG1 3.13Å |
| 1382 | A | 89.6 | Confident | 89.7 | Confident | 11 Ų | 11 | 70.7 Ų | 70.7 | 9% | 0.091 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1346 L1349 Q1378 L1379 T1385 A1386 | V1346-A1382 HydrophobicContact CG2-CB 4.37Å; L1349-A1382 HydrophobicContact CD1-CB 3.37Å; Q1378-A1382 WeakPolarHBondContact O-CB 3.43Å; Q1378-A1382 PolarHBondContact O-N 3.27Å; L1379-A1382 PolarHBondContact O-N 2.72Å; A1382-T1385 PolarHBondContact O-N 3.26Å; A1382-A1386 VanDerWaalsContact O-CB 3.3Å; A1382-A1386 WeakPolarHBondContact O-CB 3.37Å; A1382-A1386 PolarHBondContact O-N 3.46Å |
| 1383 | L | 90.6 | Very high | 89.3 | Confident | 70 Ų | 70 | 69.5 Ų | 69.5 | 37% | 0.366 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 173.7 | -74.4 | 167.4 | 0 | 0 | 0 | 112 | V1346 L1379 T1385 A1386 N1387 | V1346-L1383 HydrophobicContact CG1-CD2 3.79Å; V1346-L1383 HydrophobicContact CG1-CG 4.39Å; V1346-L1383 HydrophobicContact CG2-CD2 3.99Å; V1346-L1383 HydrophobicContact CG2-CG 4.39Å; L1379-L1383 HydrophobicContact CD1-CD1 4.4Å; L1379-L1383 HydrophobicContact CG-CD1 4.02Å; L1379-L1383 WeakPolarHBondContact O-CB 3.42Å; L1379-L1383 VanDerWaalsContact O-CG 3.3Å; L1379-L1383 WeakPolarHBondContact O-CG 3.49Å; L1379-L1383 PolarHBondContact O-N 2.95Å; L1383-T1385 VanDerWaalsContact C-N 3.33Å; L1383-T1385 PolarHBondContact O-N 3.33Å; L1383-A1386 PolarHBondContact O-N 3.17Å; L1383-N1387 WeakPolarHBondContact O-CB 3.3Å; L1383-N1387 VanDerWaalsContact O-CG 3.25Å; L1383-N1387 PolarHBondContact O-N 3.17Å |
| 1384 | R | 90.2 | Very high | 88.9 | Confident | 150 Ų | 150 | 69.2 Ų | 69.2 | 57% | 0.566 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.1 | -42 | 174.1 | 178.9 | 176.1 | -70.6 | 116.4 | 5.6 | 112 | M1380 E1381 S1388 | M1380-R1384 WeakPolarHBondContact O-CB 3.4Å; M1380-R1384 PolarHBondContact O-N 3.16Å; E1381-R1384 PolarHBondContact O-N 3.07Å; E1381-R1384 IonicContact OE2-CZ 3.61Å; E1381-R1384 IonicContact OE2-NH1 2.78Å; E1381-R1384 PolarHBondContact OE2-NH1 3.08Å; R1384-S1388 PolarHBondContact O-N 2.91Å |
| 1385 | T | 88.3 | Confident | 88.4 | Confident | 47 Ų | 47 | 67.9 Ų | 67.9 | 29% | 0.288 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -71.3 | -41.1 | 178.4 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | E1381 A1382 L1383 S1388 R1389 | E1381-T1385 WeakPolarHBondContact O-CB 3.47Å; E1381-T1385 PolarHBondContact O-N 2.96Å; E1381-T1385 PolarHBondContact O-OG1 3.13Å; A1382-T1385 PolarHBondContact O-N 3.26Å; L1383-T1385 VanDerWaalsContact C-N 3.33Å; L1383-T1385 PolarHBondContact O-N 3.33Å; T1385-S1388 PolarHBondContact O-N 2.9Å; T1385-S1388 PolarHBondContact O-OG 2.74Å; T1385-R1389 WeakPolarHBondContact O-CG 3.34Å; T1385-R1389 PolarHBondContact O-N 3.27Å; T1385-R1389 VanDerWaalsContact O-N 3.16Å |
| 1386 | A | 88.5 | Confident | 87.8 | Confident | 5 Ų | 5 | 69.3 Ų | 69.3 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1346 A1382 L1383 S1388 R1389 I1390 | V1346-A1386 HydrophobicContact CG2-CB 4.09Å; A1382-A1386 VanDerWaalsContact O-CB 3.3Å; A1382-A1386 WeakPolarHBondContact O-CB 3.37Å; A1382-A1386 PolarHBondContact O-N 3.46Å; L1383-A1386 PolarHBondContact O-N 3.17Å; A1386-S1388 PolarHBondContact O-N 2.94Å; A1386-R1389 PolarHBondContact O-N 3.02Å; A1386-I1390 WeakPolarHBondContact O-CB 3.49Å; A1386-I1390 VanDerWaalsContact O-CG1 3.26Å; A1386-I1390 WeakPolarHBondContact O-CG1 3.45Å; A1386-I1390 PolarHBondContact O-N 3.39Å |
| 1387 | N | 88.1 | Confident | 87.1 | Confident | 101 Ų | 101 | 69 Ų | 69 | 54% | 0.54 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.5 | -35.8 | 179.9 | -72.9 | -4.2 | 0 | 0 | 0 | 112.8 | L1383 A1391 | L1383-N1387 WeakPolarHBondContact O-CB 3.3Å; L1383-N1387 VanDerWaalsContact O-CG 3.25Å; L1383-N1387 PolarHBondContact O-N 3.17Å; N1387-A1391 VanDerWaalsContact O-CB 3.31Å; N1387-A1391 WeakPolarHBondContact O-CB 3.27Å; N1387-A1391 PolarHBondContact O-N 2.94Å |
| 1388 | S | 87.7 | Confident | 86.5 | Confident | 76 Ų | 76 | 69.4 Ų | 69.4 | 53% | 0.531 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.1 | -38.1 | 175.7 | 70.5 | 0 | 0 | 0 | 0 | 112.4 | R1384 T1385 A1386 S1392 | R1384-S1388 PolarHBondContact O-N 2.91Å; T1385-S1388 PolarHBondContact O-N 2.9Å; T1385-S1388 PolarHBondContact O-OG 2.74Å; A1386-S1388 PolarHBondContact O-N 2.94Å; S1388-S1392 WeakPolarHBondContact O-CB 3.36Å; S1388-S1392 PolarHBondContact O-N 3.29Å; S1388-S1392 VanDerWaalsContact O-N 3.08Å |
| 1389 | R | 89.2 | Confident | 85.7 | Confident | 72 Ų | 72 | 68.2 Ų | 68.2 | 27% | 0.272 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 172.6 | -70.8 | 174.2 | -175.6 | 164.1 | 4 | 112.1 | T1338 S1342 E1345 T1385 A1386 S1392 A1393 | T1338-R1389 HydrophobicContact CG2-CB 3.98Å; T1338-R1389 HydrophobicContact CG2-CG 4.34Å; S1342-R1389 WeakPolarHBondContact OG-CD 3.49Å; S1342-R1389 PolarHBondContact OG-NH1 2.92Å; S1342-R1389 VanDerWaalsContact OG-NH1 3.1Å; E1345-R1389 IonicContact OE1-CZ 2.68Å; E1345-R1389 IonicContact OE1-NH1 3.72Å; E1345-R1389 IonicContact OE1-NH2 3.46Å; E1345-R1389 PolarHBondContact OE1-NH2 2.81Å; E1345-R1389 IonicContact OE2-CZ 3.23Å; E1345-R1389 IonicContact OE2-NH1 2.62Å; E1345-R1389 PolarHBondContact OE2-NH1 3.45Å; E1345-R1389 IonicContact OE2-NH2 2.69Å; E1345-R1389 PolarHBondContact OE2-NH2 2.72Å; T1385-R1389 WeakPolarHBondContact O-CG 3.34Å; T1385-R1389 PolarHBondContact O-N 3.27Å; T1385-R1389 VanDerWaalsContact O-N 3.16Å; A1386-R1389 PolarHBondContact O-N 3.02Å; R1389-S1392 WeakPolarHBondContact O-CB 3.26Å; R1389-S1392 PolarHBondContact O-N 3Å; R1389-A1393 WeakPolarHBondContact O-CB 3.35Å; R1389-A1393 PolarHBondContact O-N 3.49Å |
| 1390 | I | 84.8 | Confident | 84.9 | Confident | 63 Ų | 63 | 70.4 Ų | 70.4 | 32% | 0.323 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 177.4 | -68.5 | 163.9 | 0 | 0 | 0 | 111 | I1339 A1386 S1392 A1393 V1394 | I1339-I1390 HydrophobicContact CG1-CG1 4.47Å; A1386-I1390 WeakPolarHBondContact O-CB 3.49Å; A1386-I1390 VanDerWaalsContact O-CG1 3.26Å; A1386-I1390 WeakPolarHBondContact O-CG1 3.45Å; A1386-I1390 PolarHBondContact O-N 3.39Å; I1390-S1392 VanDerWaalsContact C-N 3.3Å; I1390-S1392 PolarHBondContact O-N 2.84Å; I1390-A1393 WeakPolarHBondContact O-CB 3.26Å; I1390-A1393 PolarHBondContact O-N 2.85Å; I1390-A1393 VanDerWaalsContact O-N 3.17Å; I1390-V1394 HydrophobicContact CG2-CG2 4.42Å; I1390-V1394 WeakPolarHBondContact O-CG2 3.44Å; I1390-V1394 PolarHBondContact O-N 2.81Å |
| 1391 | A | 85.1 | Confident | 84.2 | Confident | 65 Ų | 65 | 71.4 Ų | 71.4 | 54% | 0.537 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1387 S1395 | N1387-A1391 VanDerWaalsContact O-CB 3.31Å; N1387-A1391 WeakPolarHBondContact O-CB 3.27Å; N1387-A1391 PolarHBondContact O-N 2.94Å; A1391-S1395 WeakPolarHBondContact O-CB 3.38Å; A1391-S1395 PolarHBondContact O-N 2.77Å; A1391-S1395 VanDerWaalsContact O-N 3.17Å |
| 1392 | S | 83.9 | Confident | 83.7 | Confident | 75 Ų | 75 | 73.1 Ų | 73.1 | 52% | 0.524 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 172.8 | -168.6 | 0 | 0 | 0 | 0 | 112 | S1388 R1389 I1390 S1395 V1396 | S1388-S1392 WeakPolarHBondContact O-CB 3.36Å; S1388-S1392 PolarHBondContact O-N 3.29Å; S1388-S1392 VanDerWaalsContact O-N 3.08Å; R1389-S1392 WeakPolarHBondContact O-CB 3.26Å; R1389-S1392 PolarHBondContact O-N 3Å; I1390-S1392 VanDerWaalsContact C-N 3.3Å; I1390-S1392 PolarHBondContact O-N 2.84Å; S1392-S1395 WeakPolarHBondContact O-CB 3.39Å; S1392-S1395 PolarHBondContact O-N 3.22Å; S1392-V1396 PolarHBondContact O-N 3.14Å; S1392-V1396 VanDerWaalsContact O-N 3.14Å |
| 1393 | A | 82.8 | Confident | 83.3 | Confident | 7 Ų | 7 | 76 Ų | 76 | 6% | 0.058 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.4 | -49.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1335 I1339 R1389 I1390 S1395 V1396 E1397 | V1335-A1393 HydrophobicContact CG1-CB 3.73Å; I1339-A1393 HydrophobicContact CD1-CB 4.1Å; I1339-A1393 HydrophobicContact CG1-CB 4.08Å; R1389-A1393 WeakPolarHBondContact O-CB 3.35Å; R1389-A1393 PolarHBondContact O-N 3.49Å; I1390-A1393 WeakPolarHBondContact O-CB 3.26Å; I1390-A1393 PolarHBondContact O-N 2.85Å; I1390-A1393 VanDerWaalsContact O-N 3.17Å; A1393-S1395 VanDerWaalsContact C-N 3.28Å; A1393-S1395 PolarHBondContact O-N 2.88Å; A1393-V1396 PolarHBondContact O-N 3.35Å; A1393-V1396 VanDerWaalsContact O-N 3.11Å; A1393-E1397 PolarHBondContact O-N 3.41Å |
| 1394 | V | 81.3 | Confident | 82.7 | Confident | 60 Ų | 60 | 79.5 Ų | 79.5 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.6 | -31 | 178.4 | 173.6 | 0 | 0 | 0 | 0 | 112.1 | I1390 E1397 K1398 | I1390-V1394 HydrophobicContact CG2-CG2 4.42Å; I1390-V1394 WeakPolarHBondContact O-CG2 3.44Å; I1390-V1394 PolarHBondContact O-N 2.81Å; V1394-E1397 PolarHBondContact O-N 3.27Å; V1394-K1398 PolarHBondContact O-N 2.87Å; V1394-K1398 VanDerWaalsContact O-N 3.16Å |
| 1395 | S | 80.8 | Confident | 82.2 | Confident | 85 Ų | 85 | 76.4 Ų | 76.4 | 59% | 0.594 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -67.6 | -36.5 | 173.5 | -167.1 | 0 | 0 | 0 | 0 | 112.5 | A1391 S1392 A1393 S1399 | A1391-S1395 WeakPolarHBondContact O-CB 3.38Å; A1391-S1395 PolarHBondContact O-N 2.77Å; A1391-S1395 VanDerWaalsContact O-N 3.17Å; S1392-S1395 WeakPolarHBondContact O-CB 3.39Å; S1392-S1395 PolarHBondContact O-N 3.22Å; A1393-S1395 VanDerWaalsContact C-N 3.28Å; A1393-S1395 PolarHBondContact O-N 2.88Å; S1395-S1399 PolarHBondContact O-N 2.91Å |
| 1396 | V | 80.1 | Confident | 81.9 | Confident | 46 Ų | 46 | 80.5 Ų | 80.5 | 28% | 0.279 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.1 | -44.1 | 173.2 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | V1335 S1392 A1393 K1398 S1399 V1400 | V1335-V1396 HydrophobicContact CG2-CG1 4.27Å; S1392-V1396 PolarHBondContact O-N 3.14Å; S1392-V1396 VanDerWaalsContact O-N 3.14Å; A1393-V1396 PolarHBondContact O-N 3.35Å; A1393-V1396 VanDerWaalsContact O-N 3.11Å; V1396-K1398 PolarHBondContact O-N 3.43Å; V1396-S1399 WeakPolarHBondContact O-CA 3.23Å; V1396-S1399 WeakPolarHBondContact O-CB 3.39Å; V1396-S1399 PolarHBondContact O-N 2.92Å; V1396-S1399 PolarHBondContact O-OG 2.84Å; V1396-V1400 HydrophobicContact CG1-CG2 4.48Å; V1396-V1400 PolarHBondContact O-N 3.5Å; V1396-V1400 VanDerWaalsContact O-N 3.07Å |
| 1397 | E | 77.4 | Confident | 81.6 | Confident | 77 Ų | 77 | 86.1 Ų | 86.1 | 36% | 0.36 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -53.2 | -50 | 177.9 | -176.3 | 169.4 | -151.4 | 0 | 0 | 112.4 | W1332 A1393 V1394 S1399 V1400 E1401 | W1332-E1397 HydrophobicContact CH2-CG 4.5Å; W1332-E1397 WeakPolarHBondContact CH2-OE1 3.29Å; W1332-E1397 HydrophobicContact CZ3-CG 4.1Å; A1393-E1397 PolarHBondContact O-N 3.41Å; V1394-E1397 PolarHBondContact O-N 3.27Å; E1397-S1399 PolarHBondContact O-N 2.84Å; E1397-V1400 PolarHBondContact O-N 3.02Å; E1397-E1401 PolarHBondContact O-N 2.9Å |
| 1398 | K | 79.4 | Confident | 81.3 | Confident | 138 Ų | 138 | 84.3 Ų | 84.3 | 60% | 0.6 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -60.5 | -29.8 | 175.1 | -72.3 | -170.8 | 174.4 | -169 | 0 | 114 | V1394 V1396 M1402 | V1394-K1398 PolarHBondContact O-N 2.87Å; V1394-K1398 VanDerWaalsContact O-N 3.16Å; V1396-K1398 PolarHBondContact O-N 3.43Å; K1398-M1402 WeakPolarHBondContact O-CB 3.48Å; K1398-M1402 PolarHBondContact O-N 3.13Å |
| 1399 | S | 76.7 | Confident | 81.1 | Confident | 54 Ų | 54 | 84 Ų | 84 | 38% | 0.378 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -73.6 | -33.2 | 175.5 | 78.4 | 0 | 0 | 0 | 0 | 112.5 | S1395 V1396 E1397 S1403 | S1395-S1399 PolarHBondContact O-N 2.91Å; V1396-S1399 WeakPolarHBondContact O-CA 3.23Å; V1396-S1399 WeakPolarHBondContact O-CB 3.39Å; V1396-S1399 PolarHBondContact O-N 2.92Å; V1396-S1399 PolarHBondContact O-OG 2.84Å; E1397-S1399 PolarHBondContact O-N 2.84Å; S1399-S1403 PolarHBondContact O-N 3.37Å; S1399-S1403 VanDerWaalsContact O-N 3.12Å |
| 1400 | V | 76.2 | Confident | 80.9 | Confident | 74 Ų | 74 | 83.4 Ų | 83.4 | 45% | 0.448 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -73.2 | -43.7 | 174.7 | 176 | 0 | 0 | 0 | 0 | 110.6 | V1396 E1397 S1403 Y1404 | V1396-V1400 HydrophobicContact CG1-CG2 4.48Å; V1396-V1400 PolarHBondContact O-N 3.5Å; V1396-V1400 VanDerWaalsContact O-N 3.07Å; E1397-V1400 PolarHBondContact O-N 3.02Å; V1400-S1403 PolarHBondContact O-N 3.41Å; V1400-Y1404 PolarHBondContact O-N 2.74Å |
| 1401 | E | 77.2 | Confident | 80.7 | Confident | 129 Ų | 129 | 84.3 Ų | 84.3 | 60% | 0.603 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -56.1 | -50.2 | 173.9 | -177.4 | -179.4 | -150.3 | 0 | 0 | 111.4 | E1397 S1403 Y1404 Q1405 | E1397-E1401 PolarHBondContact O-N 2.9Å; E1401-S1403 VanDerWaalsContact C-N 3.33Å; E1401-S1403 PolarHBondContact O-N 2.87Å; E1401-Y1404 PolarHBondContact O-N 3.35Å; E1401-Y1404 VanDerWaalsContact O-N 3.13Å; E1401-Q1405 PolarHBondContact O-N 3.36Å |
| 1402 | M | 80 | Confident | 80.5 | Confident | 130 Ų | 130 | 87.7 Ų | 87.7 | 64% | 0.64 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.9 | -36.2 | 177 | -173 | 169.2 | 59.6 | 0 | 0 | 112.7 | K1398 M1406 | K1398-M1402 WeakPolarHBondContact O-CB 3.48Å; K1398-M1402 PolarHBondContact O-N 3.13Å; M1402-M1406 WeakPolarHBondContact O-CG 3.5Å; M1402-M1406 PolarHBondContact O-N 3.31Å; M1402-M1406 VanDerWaalsContact O-N 3.12Å |
| 1403 | S | 80 | Confident | 80.4 | Confident | 73 Ų | 73 | 90.6 Ų | 90.6 | 51% | 0.51 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.3 | -35.7 | 173.3 | -170.1 | 0 | 0 | 0 | 0 | 112.8 | S1399 V1400 E1401 Q1407 | S1399-S1403 PolarHBondContact O-N 3.37Å; S1399-S1403 VanDerWaalsContact O-N 3.12Å; V1400-S1403 PolarHBondContact O-N 3.41Å; E1401-S1403 VanDerWaalsContact C-N 3.33Å; E1401-S1403 PolarHBondContact O-N 2.87Å; S1403-Q1407 PolarHBondContact O-N 2.97Å; S1403-Q1407 VanDerWaalsContact O-N 3.16Å |
| 1404 | Y | 78.2 | Confident | 80.3 | Confident | 142 Ų | 142 | 96.2 Ų | 96.2 | 56% | 0.557 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.8 | -41.8 | 176.3 | -176.5 | -100.6 | 0 | 0 | 0 | 111 | V1400 E1401 M1406 Q1407 M1408 | V1400-Y1404 PolarHBondContact O-N 2.74Å; E1401-Y1404 PolarHBondContact O-N 3.35Å; E1401-Y1404 VanDerWaalsContact O-N 3.13Å; Y1404-M1406 PolarHBondContact O-N 3.47Å; Y1404-Q1407 WeakPolarHBondContact O-CB 3.43Å; Y1404-Q1407 PolarHBondContact O-N 3.48Å; Y1404-Q1407 VanDerWaalsContact O-N 3.1Å; Y1404-M1408 HydrophobicContact CD1-CG 4.06Å; Y1404-M1408 HydrophobicContact CE1-CG 3.66Å; Y1404-M1408 HydrophobicContact CE1-SD 4.33Å; Y1404-M1408 WeakPolarHBondContact O-CG 3.3Å; Y1404-M1408 PolarHBondContact O-N 2.92Å |
| 1405 | Q | 80 | Confident | 80.1 | Confident | 85 Ų | 85 | 98.2 Ų | 98.2 | 40% | 0.397 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 174.6 | -174.5 | 54.4 | 43.7 | 0 | 0 | 111.7 | E1401 Q1407 M1408 D1409 | E1401-Q1405 PolarHBondContact O-N 3.36Å; Q1405-Q1407 VanDerWaalsContact C-N 3.27Å; Q1405-Q1407 PolarHBondContact O-N 2.84Å; Q1405-M1408 PolarHBondContact O-N 2.78Å; Q1405-D1409 VanDerWaalsContact NE2-CG 3.27Å; Q1405-D1409 PolarHBondContact NE2-OD1 3.36Å; Q1405-D1409 PolarHBondContact NE2-OD2 2.9Å; Q1405-D1409 PolarHBondContact O-N 2.96Å |
| 1406 | M | 82.9 | Confident | 80.1 | Confident | 134 Ų | 134 | 100.2 Ų | 100.2 | 66% | 0.66 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.7 | -33.7 | 174.5 | -71.1 | -169.5 | 77.3 | 0 | 0 | 113.2 | M1402 Y1404 S1410 | M1402-M1406 WeakPolarHBondContact O-CG 3.5Å; M1402-M1406 PolarHBondContact O-N 3.31Å; M1402-M1406 VanDerWaalsContact O-N 3.12Å; Y1404-M1406 PolarHBondContact O-N 3.47Å; M1406-S1410 WeakPolarHBondContact O-CB 3.4Å; M1406-S1410 PolarHBondContact O-N 3.33Å; M1406-S1410 VanDerWaalsContact O-N 3.12Å |
| 1407 | Q | 82.7 | Confident | 80.1 | Confident | 122 Ų | 122 | 102.8 Ų | 102.8 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71.7 | -39.1 | 175.6 | -173.1 | 172.7 | -5 | 0 | 0 | 111.8 | S1403 Y1404 Q1405 S1410 L1411 | S1403-Q1407 PolarHBondContact O-N 2.97Å; S1403-Q1407 VanDerWaalsContact O-N 3.16Å; Y1404-Q1407 WeakPolarHBondContact O-CB 3.43Å; Y1404-Q1407 PolarHBondContact O-N 3.48Å; Y1404-Q1407 VanDerWaalsContact O-N 3.1Å; Q1405-Q1407 VanDerWaalsContact C-N 3.27Å; Q1405-Q1407 PolarHBondContact O-N 2.84Å; Q1407-S1410 WeakPolarHBondContact O-CB 3.39Å; Q1407-S1410 PolarHBondContact O-N 2.95Å; Q1407-L1411 WeakPolarHBondContact O-CG 3.49Å; Q1407-L1411 PolarHBondContact O-N 3.17Å |
| 1408 | M | 81.2 | Confident | 80 | Confident | 64 Ų | 64 | 101.9 Ų | 101.9 | 32% | 0.315 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 175.4 | -72.9 | -59.6 | -65 | 0 | 0 | 112.6 | Y1404 Q1405 L1411 R1412 | Y1404-M1408 HydrophobicContact CD1-CG 4.06Å; Y1404-M1408 HydrophobicContact CE1-CG 3.66Å; Y1404-M1408 HydrophobicContact CE1-SD 4.33Å; Y1404-M1408 WeakPolarHBondContact O-CG 3.3Å; Y1404-M1408 PolarHBondContact O-N 2.92Å; Q1405-M1408 PolarHBondContact O-N 2.78Å; M1408-L1411 PolarHBondContact O-N 2.92Å; M1408-L1411 HydrophobicContact SD-CD1 4.35Å; M1408-R1412 WeakPolarHBondContact O-CG 3.43Å; M1408-R1412 PolarHBondContact O-N 2.89Å |
| 1409 | D | 82.9 | Confident | 79.8 | Confident | 68 Ų | 68 | 100.5 Ų | 100.5 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.7 | -33.8 | 176 | -69.2 | -37 | 0 | 0 | 0 | 112.6 | Q1405 R1412 Q1413 | Q1405-D1409 VanDerWaalsContact NE2-CG 3.27Å; Q1405-D1409 PolarHBondContact NE2-OD1 3.36Å; Q1405-D1409 PolarHBondContact NE2-OD2 2.9Å; Q1405-D1409 PolarHBondContact O-N 2.96Å; D1409-R1412 PolarHBondContact O-N 3.18Å; D1409-R1412 WeakPolarHBondContact OD1-CD 3.45Å; D1409-R1412 IonicContact OD1-CZ 3.99Å; D1409-R1412 IonicContact OD1-NE 2.68Å; D1409-R1412 IonicContact OD1-NH1 2.7Å; D1409-R1412 PolarHBondContact OD1-NH1 3.2Å; D1409-Q1413 PolarHBondContact O-N 2.93Å |
| 1410 | S | 84.6 | Confident | 80.2 | Confident | 60 Ų | 60 | 104 Ų | 104 | 42% | 0.42 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 168.8 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | M1406 Q1407 Q1413 Q1414 | M1406-S1410 WeakPolarHBondContact O-CB 3.4Å; M1406-S1410 PolarHBondContact O-N 3.33Å; M1406-S1410 VanDerWaalsContact O-N 3.12Å; Q1407-S1410 WeakPolarHBondContact O-CB 3.39Å; Q1407-S1410 PolarHBondContact O-N 2.95Å; S1410-Q1413 PolarHBondContact O-N 3.34Å; S1410-Q1414 PolarHBondContact O-N 2.99Å |
| 1411 | L | 82.2 | Confident | 80.5 | Confident | 82 Ų | 82 | 104.8 Ų | 104.8 | 43% | 0.429 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66 | -40.2 | 175.3 | -74.4 | 169.5 | 0 | 0 | 0 | 112.4 | Q1407 M1408 Q1413 Q1414 L1415 | Q1407-L1411 WeakPolarHBondContact O-CG 3.49Å; Q1407-L1411 PolarHBondContact O-N 3.17Å; M1408-L1411 PolarHBondContact O-N 2.92Å; M1408-L1411 HydrophobicContact SD-CD1 4.35Å; L1411-Q1413 VanDerWaalsContact C-N 3.31Å; L1411-Q1413 PolarHBondContact O-N 3.27Å; L1411-Q1414 PolarHBondContact O-N 3.03Å; L1411-L1415 PolarHBondContact O-N 3.17Å |
| 1412 | R | 80.2 | Confident | 80.4 | Confident | 137 Ų | 137 | 101.7 Ų | 101.7 | 52% | 0.517 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.7 | -43.3 | 172.4 | -74.2 | 164.9 | 172.2 | 171.5 | -4.2 | 111.5 | M1408 D1409 L1415 Q1416 | M1408-R1412 WeakPolarHBondContact O-CG 3.43Å; M1408-R1412 PolarHBondContact O-N 2.89Å; D1409-R1412 PolarHBondContact O-N 3.18Å; D1409-R1412 WeakPolarHBondContact OD1-CD 3.45Å; D1409-R1412 IonicContact OD1-CZ 3.99Å; D1409-R1412 IonicContact OD1-NE 2.68Å; D1409-R1412 IonicContact OD1-NH1 2.7Å; D1409-R1412 PolarHBondContact OD1-NH1 3.2Å; R1412-L1415 PolarHBondContact O-N 2.66Å; R1412-Q1416 WeakPolarHBondContact O-CG 3.46Å; R1412-Q1416 PolarHBondContact O-N 3.13Å |
| 1413 | Q | 81.6 | Confident | 80.3 | Confident | 135 Ų | 135 | 97.9 Ų | 97.9 | 63% | 0.631 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.2 | -35.6 | 178.5 | -164.8 | 175.5 | 36.3 | 0 | 0 | 112.7 | D1409 S1410 L1411 M1417 | D1409-Q1413 PolarHBondContact O-N 2.93Å; S1410-Q1413 PolarHBondContact O-N 3.34Å; L1411-Q1413 VanDerWaalsContact C-N 3.31Å; L1411-Q1413 PolarHBondContact O-N 3.27Å; Q1413-M1417 PolarHBondContact O-N 2.88Å |
| 1414 | Q | 80.5 | Confident | 80.3 | Confident | 125 Ų | 125 | 98.2 Ų | 98.2 | 58% | 0.584 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.9 | -39.6 | 171.9 | -70.4 | -177 | 6 | 0 | 0 | 112.2 | S1410 L1411 M1417 A1418 | S1410-Q1414 PolarHBondContact O-N 2.99Å; L1411-Q1414 PolarHBondContact O-N 3.03Å; Q1414-M1417 PolarHBondContact O-N 3.16Å; Q1414-A1418 PolarHBondContact O-N 3.04Å |
| 1415 | L | 78.1 | Confident | 80.4 | Confident | 103 Ų | 103 | 96.3 Ų | 96.3 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.2 | -47 | 176.1 | -117.2 | 155.2 | 0 | 0 | 0 | 111.5 | L1411 R1412 M1417 A1418 E1419 | L1411-L1415 PolarHBondContact O-N 3.17Å; R1412-L1415 PolarHBondContact O-N 2.66Å; L1415-M1417 VanDerWaalsContact C-N 3.26Å; L1415-M1417 PolarHBondContact O-N 3.48Å; L1415-A1418 WeakPolarHBondContact O-CB 3.43Å; L1415-A1418 PolarHBondContact O-N 3.41Å; L1415-E1419 HydrophobicContact CD2-CG 4.41Å; L1415-E1419 WeakPolarHBondContact CD2-OE1 3.44Å; L1415-E1419 WeakPolarHBondContact O-CB 3.28Å; L1415-E1419 WeakPolarHBondContact O-CG 3.47Å; L1415-E1419 PolarHBondContact O-N 2.98Å |
| 1416 | Q | 80.7 | Confident | 80.3 | Confident | 126 Ų | 126 | 93.9 Ų | 93.9 | 59% | 0.589 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.2 | -36.2 | 174.3 | -74.1 | -180 | -20.8 | 0 | 0 | 113 | R1412 Y1420 | R1412-Q1416 WeakPolarHBondContact O-CG 3.46Å; R1412-Q1416 PolarHBondContact O-N 3.13Å; Q1416-Y1420 WeakPolarHBondContact O-CB 3.35Å; Q1416-Y1420 PolarHBondContact O-N 3.44Å |
| 1417 | M | 80.5 | Confident | 80.1 | Confident | 101 Ų | 101 | 92.6 Ų | 92.6 | 50% | 0.498 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.9 | -37.6 | 173.8 | -85.4 | -97.5 | 58.7 | 0 | 0 | 112.8 | Q1413 Q1414 L1415 Y1420 N1421 | Q1413-M1417 PolarHBondContact O-N 2.88Å; Q1414-M1417 PolarHBondContact O-N 3.16Å; L1415-M1417 VanDerWaalsContact C-N 3.26Å; L1415-M1417 PolarHBondContact O-N 3.48Å; M1417-Y1420 HydrophobicContact CE-CD1 4.09Å; M1417-Y1420 HydrophobicContact CE-CG 4.44Å; M1417-N1421 PolarHBondContact O-N 3.02Å; M1417-N1421 VanDerWaalsContact O-N 3.14Å; M1417-N1421 PolarHBondContact O-ND2 3.5Å |
| 1418 | A | 74.9 | Confident | 80 | Confident | 57 Ų | 57 | 91.8 Ų | 91.8 | 47% | 0.471 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.8 | -43.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1414 L1415 N1421 A1422 | Q1414-A1418 PolarHBondContact O-N 3.04Å; L1415-A1418 WeakPolarHBondContact O-CB 3.43Å; L1415-A1418 PolarHBondContact O-N 3.41Å; A1418-N1421 PolarHBondContact O-N 3.34Å; A1418-A1422 WeakPolarHBondContact O-CB 3.28Å; A1418-A1422 PolarHBondContact O-N 2.91Å |
| 1419 | E | 74.1 | Confident | 79.8 | Confident | 110 Ų | 110 | 93.9 Ų | 93.9 | 51% | 0.514 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 174.6 | -71.5 | 165 | 179.4 | 0 | 0 | 111.6 | L1415 N1421 A1422 A1423 | L1415-E1419 HydrophobicContact CD2-CG 4.41Å; L1415-E1419 WeakPolarHBondContact CD2-OE1 3.44Å; L1415-E1419 WeakPolarHBondContact O-CB 3.28Å; L1415-E1419 WeakPolarHBondContact O-CG 3.47Å; L1415-E1419 PolarHBondContact O-N 2.98Å; E1419-N1421 PolarHBondContact O-N 3.49Å; E1419-A1422 PolarHBondContact O-N 2.74Å; E1419-A1423 VanDerWaalsContact O-CB 3.29Å; E1419-A1423 WeakPolarHBondContact O-CB 3.4Å; E1419-A1423 PolarHBondContact O-N 3.3Å |
| 1420 | Y | 85.6 | Confident | 79.6 | Confident | 127 Ų | 127 | 94.6 Ų | 94.6 | 50% | 0.498 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.4 | -46.1 | 175.2 | 179.1 | -87.2 | 0 | 0 | 0 | 112 | Q1416 M1417 A1423 Q1424 | Q1416-Y1420 WeakPolarHBondContact O-CB 3.35Å; Q1416-Y1420 PolarHBondContact O-N 3.44Å; M1417-Y1420 HydrophobicContact CE-CD1 4.09Å; M1417-Y1420 HydrophobicContact CE-CG 4.44Å; Y1420-A1423 PolarHBondContact O-N 2.82Å; Y1420-Q1424 PolarHBondContact O-N 3.18Å |
| 1421 | N | 82.8 | Confident | 79.3 | Confident | 91 Ų | 91 | 98.2 Ų | 98.2 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 179.3 | -69.9 | -22.8 | 0 | 0 | 0 | 111.9 | M1417 A1418 E1419 Q1424 L1425 | M1417-N1421 PolarHBondContact O-N 3.02Å; M1417-N1421 VanDerWaalsContact O-N 3.14Å; M1417-N1421 PolarHBondContact O-ND2 3.5Å; A1418-N1421 PolarHBondContact O-N 3.34Å; E1419-N1421 PolarHBondContact O-N 3.49Å; N1421-Q1424 PolarHBondContact O-N 3.06Å; N1421-L1425 PolarHBondContact O-N 3Å |
| 1422 | A | 75.3 | Confident | 79.1 | Confident | 64 Ų | 64 | 100.4 Ų | 100.4 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1418 E1419 Q1424 L1425 G1426 | A1418-A1422 WeakPolarHBondContact O-CB 3.28Å; A1418-A1422 PolarHBondContact O-N 2.91Å; E1419-A1422 PolarHBondContact O-N 2.74Å; A1422-Q1424 VanDerWaalsContact C-N 3.26Å; A1422-Q1424 PolarHBondContact O-N 2.81Å; A1422-L1425 PolarHBondContact O-N 2.82Å; A1422-G1426 PolarHBondContact O-N 3.38Å |
| 1423 | A | 76.7 | Confident | 79 | Confident | 49 Ų | 49 | 99.5 Ų | 99.5 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.6 | -21.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1419 Y1420 R1427 | E1419-A1423 VanDerWaalsContact O-CB 3.29Å; E1419-A1423 WeakPolarHBondContact O-CB 3.4Å; E1419-A1423 PolarHBondContact O-N 3.3Å; Y1420-A1423 PolarHBondContact O-N 2.82Å; A1423-R1427 PolarHBondContact O-NE 3.31Å |
| 1424 | Q | 81.1 | Confident | 78.9 | Confident | 80 Ų | 80 | 96 Ų | 96 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -76.4 | -50.4 | 169.1 | -171.9 | 171.2 | -37.6 | 0 | 0 | 111.6 | Y1420 N1421 A1422 G1426 R1427 E1428 | Y1420-Q1424 PolarHBondContact O-N 3.18Å; N1421-Q1424 PolarHBondContact O-N 3.06Å; A1422-Q1424 VanDerWaalsContact C-N 3.26Å; A1422-Q1424 PolarHBondContact O-N 2.81Å; Q1424-G1426 VanDerWaalsContact C-N 3.26Å; Q1424-G1426 PolarHBondContact O-N 3.02Å; Q1424-R1427 WeakPolarHBondContact O-CB 3.32Å; Q1424-R1427 PolarHBondContact O-N 3.08Å; Q1424-E1428 PolarHBondContact O-N 3.26Å |
| 1425 | L | 79.4 | Confident | 79 | Confident | 102 Ų | 102 | 96.5 Ų | 96.5 | 53% | 0.534 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.5 | -38.5 | 176.5 | -171 | 68.9 | 0 | 0 | 0 | 112 | N1421 A1422 R1427 E1428 I1429 | N1421-L1425 PolarHBondContact O-N 3Å; A1422-L1425 PolarHBondContact O-N 2.82Å; L1425-R1427 PolarHBondContact O-N 3.36Å; L1425-E1428 PolarHBondContact O-N 2.62Å; L1425-I1429 HydrophobicContact CG-CD1 4.28Å; L1425-I1429 WeakPolarHBondContact O-CG1 3.48Å; L1425-I1429 PolarHBondContact O-N 2.7Å; L1425-I1429 VanDerWaalsContact O-N 3.12Å |
| 1426 | G | 78.9 | Confident | 79.2 | Confident | 35 Ų | 35 | 96.3 Ų | 96.3 | 36% | 0.361 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.1 | -8.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A1422 Q1424 | A1422-G1426 PolarHBondContact O-N 3.38Å; Q1424-G1426 VanDerWaalsContact C-N 3.26Å; Q1424-G1426 PolarHBondContact O-N 3.02Å |
| 1427 | R | 78.1 | Confident | 79.2 | Confident | 106 Ų | 106 | 95.3 Ų | 95.3 | 40% | 0.4 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -86.2 | -44.8 | 166.7 | -79.3 | 171.5 | -82.6 | -170.4 | 2 | 110.7 | A1423 Q1424 L1425 I1429 E1430 E1431 | A1423-R1427 PolarHBondContact O-NE 3.31Å; Q1424-R1427 WeakPolarHBondContact O-CB 3.32Å; Q1424-R1427 PolarHBondContact O-N 3.08Å; L1425-R1427 PolarHBondContact O-N 3.36Å; R1427-I1429 VanDerWaalsContact C-N 3.29Å; R1427-I1429 PolarHBondContact O-N 3.29Å; R1427-E1430 PolarHBondContact O-N 2.88Å; R1427-E1430 VanDerWaalsContact O-N 3.15Å; R1427-E1431 PolarHBondContact O-N 3.29Å |
| 1428 | E | 81.2 | Confident | 79.2 | Confident | 105 Ų | 105 | 98.9 Ų | 98.9 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.3 | -37.4 | 179.6 | -64.4 | 171.2 | -164.7 | 0 | 0 | 112.2 | Q1424 L1425 F1432 | Q1424-E1428 PolarHBondContact O-N 3.26Å; L1425-E1428 PolarHBondContact O-N 2.62Å; E1428-F1432 PolarHBondContact O-N 3.47Å |
| 1429 | I | 76.9 | Confident | 79.6 | Confident | 108 Ų | 108 | 103.7 Ų | 103.7 | 55% | 0.554 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.6 | -40.9 | 175.2 | -66.7 | 169.3 | 0 | 0 | 0 | 112.2 | L1425 R1427 F1432 R1433 | L1425-I1429 HydrophobicContact CG-CD1 4.28Å; L1425-I1429 WeakPolarHBondContact O-CG1 3.48Å; L1425-I1429 PolarHBondContact O-N 2.7Å; L1425-I1429 VanDerWaalsContact O-N 3.12Å; R1427-I1429 VanDerWaalsContact C-N 3.29Å; R1427-I1429 PolarHBondContact O-N 3.29Å; I1429-F1432 WeakPolarHBondContact O-CB 3.47Å; I1429-F1432 PolarHBondContact O-N 3.28Å; I1429-R1433 PolarHBondContact O-N 2.9Å |
| 1430 | E | 78.1 | Confident | 79.7 | Confident | 83 Ų | 83 | 104 Ų | 104 | 39% | 0.388 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -74 | -36.9 | -178.4 | -168.4 | 56 | -138.6 | 0 | 0 | 111.8 | R1427 F1432 R1433 I1434 | R1427-E1430 PolarHBondContact O-N 2.88Å; R1427-E1430 VanDerWaalsContact O-N 3.15Å; E1430-F1432 PolarHBondContact O-N 3.42Å; E1430-R1433 PolarHBondContact O-N 3.1Å; E1430-R1433 VanDerWaalsContact O-N 3.15Å; E1430-I1434 HydrophobicContact CG-CD1 4.1Å; E1430-I1434 WeakPolarHBondContact O-CG1 3.23Å; E1430-I1434 PolarHBondContact O-N 2.89Å |
| 1431 | E | 78.8 | Confident | 79.4 | Confident | 137 Ų | 137 | 101 Ų | 101 | 64% | 0.64 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -57.5 | -39.4 | 171.1 | -73.7 | -176.9 | -171.2 | 0 | 0 | 111.6 | R1427 Q1435 | R1427-E1431 PolarHBondContact O-N 3.29Å; E1431-Q1435 WeakPolarHBondContact O-CB 3.48Å; E1431-Q1435 PolarHBondContact O-N 2.89Å |
| 1432 | F | 78.1 | Confident | 79.2 | Confident | 128 Ų | 128 | 99 Ų | 99 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.3 | -40.5 | 174.6 | -172.4 | -106.5 | 0 | 0 | 0 | 112.9 | E1428 I1429 E1430 Q1435 Q1436 | E1428-F1432 PolarHBondContact O-N 3.47Å; I1429-F1432 WeakPolarHBondContact O-CB 3.47Å; I1429-F1432 PolarHBondContact O-N 3.28Å; E1430-F1432 PolarHBondContact O-N 3.42Å; F1432-Q1435 PolarHBondContact O-N 2.76Å; F1432-Q1436 PolarHBondContact O-N 3.33Å; F1432-Q1436 VanDerWaalsContact O-N 3.08Å |
| 1433 | R | 78.7 | Confident | 79.3 | Confident | 118 Ų | 118 | 103.2 Ų | 103.2 | 45% | 0.445 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 174.2 | -179.6 | 174 | 168 | 97.1 | -2.1 | 111.3 | I1429 E1430 Q1435 Q1436 Q1437 | I1429-R1433 PolarHBondContact O-N 2.9Å; E1430-R1433 PolarHBondContact O-N 3.1Å; E1430-R1433 VanDerWaalsContact O-N 3.15Å; R1433-Q1435 VanDerWaalsContact C-N 3.28Å; R1433-Q1435 PolarHBondContact O-N 2.87Å; R1433-Q1436 PolarHBondContact O-N 2.86Å; R1433-Q1437 PolarHBondContact O-N 3.33Å |
| 1434 | I | 78.6 | Confident | 79.1 | Confident | 61 Ų | 61 | 107.3 Ų | 107.3 | 31% | 0.313 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60 | -38.5 | 176.1 | -67.5 | 167.3 | 0 | 0 | 0 | 111 | E1430 Q1437 R1438 | E1430-I1434 HydrophobicContact CG-CD1 4.1Å; E1430-I1434 WeakPolarHBondContact O-CG1 3.23Å; E1430-I1434 PolarHBondContact O-N 2.89Å; I1434-Q1437 PolarHBondContact O-N 3.38Å; I1434-R1438 HydrophobicContact CG2-CG 4.49Å; I1434-R1438 WeakPolarHBondContact O-CG 3.5Å; I1434-R1438 PolarHBondContact O-N 3.48Å |
| 1435 | Q | 82.5 | Confident | 78.8 | Confident | 136 Ų | 136 | 108.3 Ų | 108.3 | 64% | 0.636 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.3 | -38.6 | 178.1 | -167.1 | 171.8 | 16.6 | 0 | 0 | 112.5 | E1431 F1432 R1433 Y1439 | E1431-Q1435 WeakPolarHBondContact O-CB 3.48Å; E1431-Q1435 PolarHBondContact O-N 2.89Å; F1432-Q1435 PolarHBondContact O-N 2.76Å; R1433-Q1435 VanDerWaalsContact C-N 3.28Å; R1433-Q1435 PolarHBondContact O-N 2.87Å; Q1435-Y1439 PolarHBondContact O-N 3.29Å |
| 1436 | Q | 82.5 | Confident | 78.6 | Confident | 98 Ų | 98 | 113 Ų | 113 | 46% | 0.458 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 171.3 | -68.3 | -164.8 | 26.7 | 0 | 0 | 112 | F1432 R1433 R1438 Y1439 F1440 | F1432-Q1436 PolarHBondContact O-N 3.33Å; F1432-Q1436 VanDerWaalsContact O-N 3.08Å; R1433-Q1436 PolarHBondContact O-N 2.86Å; Q1436-R1438 VanDerWaalsContact C-N 3.33Å; Q1436-R1438 PolarHBondContact O-N 2.81Å; Q1436-Y1439 WeakPolarHBondContact O-CA 3.22Å; Q1436-Y1439 WeakPolarHBondContact O-CB 3.38Å; Q1436-Y1439 PolarHBondContact O-N 2.97Å; Q1436-F1440 VanDerWaalsContact O-CD2 3.28Å; Q1436-F1440 WeakPolarHBondContact O-CD2 3.3Å; Q1436-F1440 PolarHBondContact O-N 2.84Å |
| 1437 | Q | 80.4 | Confident | 78.3 | Confident | 105 Ų | 105 | 116.4 Ų | 116.4 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | -178.2 | -157.1 | 173.3 | 18.7 | 0 | 0 | 111.4 | R1433 I1434 Y1439 F1440 S1441 | R1433-Q1437 PolarHBondContact O-N 3.33Å; I1434-Q1437 PolarHBondContact O-N 3.38Å; Q1437-Y1439 VanDerWaalsContact C-N 3.32Å; Q1437-Y1439 PolarHBondContact O-N 2.86Å; Q1437-F1440 PolarHBondContact O-N 3.49Å; Q1437-S1441 PolarHBondContact O-N 3.13Å; Q1437-S1441 PolarHBondContact O-OG 2.59Å |
| 1438 | R | 81.4 | Confident | 77.7 | Confident | 177 Ų | 177 | 118.7 Ų | 118.7 | 67% | 0.668 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.4 | -37 | 172.2 | -72.5 | 174.9 | 179.8 | 173.7 | 3.4 | 113.2 | I1434 Q1436 A1442 | I1434-R1438 HydrophobicContact CG2-CG 4.49Å; I1434-R1438 WeakPolarHBondContact O-CG 3.5Å; I1434-R1438 PolarHBondContact O-N 3.48Å; Q1436-R1438 VanDerWaalsContact C-N 3.33Å; Q1436-R1438 PolarHBondContact O-N 2.81Å; R1438-A1442 VanDerWaalsContact O-CB 3.3Å; R1438-A1442 WeakPolarHBondContact O-CB 3.16Å; R1438-A1442 PolarHBondContact O-N 2.84Å; R1438-A1442 VanDerWaalsContact O-N 3.08Å |
| 1439 | Y | 82.5 | Confident | 76.5 | Confident | 157 Ų | 157 | 119.9 Ų | 119.9 | 62% | 0.616 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.6 | -38.9 | 176.1 | 175.2 | -100.5 | 0 | 0 | 0 | 112.2 | Q1435 Q1436 Q1437 R1443 | Q1435-Y1439 PolarHBondContact O-N 3.29Å; Q1436-Y1439 WeakPolarHBondContact O-CA 3.22Å; Q1436-Y1439 WeakPolarHBondContact O-CB 3.38Å; Q1436-Y1439 PolarHBondContact O-N 2.97Å; Q1437-Y1439 VanDerWaalsContact C-N 3.32Å; Q1437-Y1439 PolarHBondContact O-N 2.86Å; Y1439-R1443 PolarHBondContact O-N 3.4Å |
| 1440 | F | 76.7 | Confident | 75.3 | Confident | 118 Ų | 118 | 120.3 Ų | 120.3 | 52% | 0.518 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.8 | -45.6 | 175 | -77.1 | -71.9 | 0 | 0 | 0 | 112.8 | Q1436 Q1437 A1442 R1443 F1444 | Q1436-F1440 VanDerWaalsContact O-CD2 3.28Å; Q1436-F1440 WeakPolarHBondContact O-CD2 3.3Å; Q1436-F1440 PolarHBondContact O-N 2.84Å; Q1437-F1440 PolarHBondContact O-N 3.49Å; F1440-A1442 PolarHBondContact O-N 3.44Å; F1440-R1443 WeakPolarHBondContact O-CB 3.26Å; F1440-R1443 PolarHBondContact O-N 2.75Å; F1440-R1443 VanDerWaalsContact O-N 3.07Å; F1440-F1444 PolarHBondContact O-N 2.94Å |
| 1441 | S | 79.2 | Confident | 73.9 | Confident | 64 Ų | 64 | 121.6 Ų | 121.6 | 45% | 0.448 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -57.4 | -49.1 | 175.7 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | Q1437 R1443 F1444 D1445 | Q1437-S1441 PolarHBondContact O-N 3.13Å; Q1437-S1441 PolarHBondContact O-OG 2.59Å; S1441-R1443 PolarHBondContact O-N 3.06Å; S1441-R1443 VanDerWaalsContact O-N 3.07Å; S1441-F1444 PolarHBondContact O-N 3.28Å; S1441-D1445 PolarHBondContact O-N 3.41Å |
| 1442 | A | 78.3 | Confident | 72.1 | Confident | 48 Ų | 48 | 120.6 Ų | 120.6 | 40% | 0.397 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.9 | -10.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1438 F1440 R1446 | R1438-A1442 VanDerWaalsContact O-CB 3.3Å; R1438-A1442 WeakPolarHBondContact O-CB 3.16Å; R1438-A1442 PolarHBondContact O-N 2.84Å; R1438-A1442 VanDerWaalsContact O-N 3.08Å; F1440-A1442 PolarHBondContact O-N 3.44Å; A1442-R1446 WeakPolarHBondContact O-CG 3.45Å; A1442-R1446 PolarHBondContact O-NE 3.31Å |
| 1443 | R | 76.8 | Confident | 70.4 | Confident | 152 Ų | 152 | 120.4 Ų | 120.4 | 57% | 0.574 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -88.3 | -38.8 | 168.4 | -175.8 | 177.1 | 178 | 177.2 | -1.8 | 111.4 | Y1439 F1440 S1441 R1446 | Y1439-R1443 PolarHBondContact O-N 3.4Å; F1440-R1443 WeakPolarHBondContact O-CB 3.26Å; F1440-R1443 PolarHBondContact O-N 2.75Å; F1440-R1443 VanDerWaalsContact O-N 3.07Å; S1441-R1443 PolarHBondContact O-N 3.06Å; S1441-R1443 VanDerWaalsContact O-N 3.07Å; R1443-R1446 PolarHBondContact O-N 3.17Å |
| 1444 | F | 73.7 | Confident | 68.5 | Low | 136 Ų | 136 | 120.4 Ų | 120.4 | 60% | 0.596 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.1 | -44.2 | 177.2 | -130.3 | -84.9 | 0 | 0 | 0 | 111.9 | F1440 S1441 R1446 L1447 H1448 | F1440-F1444 PolarHBondContact O-N 2.94Å; S1441-F1444 PolarHBondContact O-N 3.28Å; F1444-R1446 PolarHBondContact O-N 3.14Å; F1444-R1446 VanDerWaalsContact O-N 3.13Å; F1444-L1447 PolarHBondContact O-N 2.81Å; F1444-H1448 PolarHBondContact O-N 3.11Å |
| 1445 | D | 74.8 | Confident | 66.6 | Low | 101 Ų | 101 | 123 Ų | 123 | 54% | 0.54 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -57.3 | -29.9 | 176.8 | -66.1 | -30.9 | 0 | 0 | 0 | 112.8 | S1441 N1449 | S1441-D1445 PolarHBondContact O-N 3.41Å; D1445-N1449 PolarHBondContact O-ND2 3.02Å |
| 1446 | R | 73.7 | Confident | 64.6 | Low | 199 Ų | 199 | 121.6 Ų | 121.6 | 75% | 0.751 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -75.5 | -28.2 | 177.3 | -68.1 | 178.3 | -172.2 | -153 | 0.3 | 113.3 | A1442 R1443 F1444 | A1442-R1446 WeakPolarHBondContact O-CG 3.45Å; A1442-R1446 PolarHBondContact O-NE 3.31Å; R1443-R1446 PolarHBondContact O-N 3.17Å; F1444-R1446 PolarHBondContact O-N 3.14Å; F1444-R1446 VanDerWaalsContact O-N 3.13Å |
| 1447 | L | 72.4 | Confident | 62.6 | Low | 108 Ų | 108 | 123.9 Ų | 123.9 | 57% | 0.565 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -77.5 | -37.6 | 177.6 | -65.4 | 172 | 0 | 0 | 0 | 110.9 | F1444 N1449 I1450 | F1444-L1447 PolarHBondContact O-N 2.81Å; L1447-N1449 PolarHBondContact O-N 3.42Å; L1447-I1450 WeakPolarHBondContact O-CG1 3.46Å |
| 1448 | H | 65.4 | Low | 60.8 | Low | 153 Ų | 153 | 124.6 Ų | 124.6 | 71% | 0.708 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -71 | -13.7 | 175.8 | -99.6 | -70 | 0 | 0 | 0 | 114.9 | F1444 | F1444-H1448 PolarHBondContact O-N 3.11Å |
| 1449 | N | 57.9 | Low | 58.9 | Low | 130 Ų | 130 | 120.8 Ų | 120.8 | 70% | 0.695 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | 22.6 | -179.7 | -82.3 | -78.9 | 0 | 0 | 0 | 114 | D1445 L1447 P1451 | D1445-N1449 PolarHBondContact O-ND2 3.02Å; L1447-N1449 PolarHBondContact O-N 3.42Å; N1449-P1451 WeakPolarHBondContact O-CD 3.47Å |
| 1450 | I | 51.2 | Low | 56.9 | Low | 117 Ų | 117 | 121 Ų | 121 | 60% | 0.6 | 67% | 0.674 | S | S | * | * | trans | -78.1 | 116.8 | 171.9 | -62.4 | 172.4 | 0 | 0 | 0 | 108.9 | L1447 S1452 | L1447-I1450 WeakPolarHBondContact O-CG1 3.46Å; I1450-S1452 PolarHBondContact O-N 3.18Å | ||
| 1451 | P | 47.5 | Very low | 55.2 | Low | 111 Ų | 111 | 122.8 Ų | 122.8 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | trans | -79.6 | 120.4 | -172.2 | 30.4 | -33.9 | 0 | 0 | 0 | 112.6 | N1449 S1453 | N1449-P1451 WeakPolarHBondContact O-CD 3.47Å; P1451-S1453 VanDerWaalsContact C-N 3.35Å; P1451-S1453 PolarHBondContact O-N 3.41Å | ||
| 1452 | S | 41.6 | Very low | 53.5 | Low | 116 Ų | 116 | 125.1 Ų | 125.1 | 81% | 0.811 | 69% | 0.691 | S | S | * | * | trans | -71.2 | 78.4 | 177.8 | -46.6 | 0 | 0 | 0 | 0 | 112.8 | I1450 S1454 | I1450-S1452 PolarHBondContact O-N 3.18Å; S1452-S1454 PolarHBondContact O-N 3.09Å; S1452-S1454 VanDerWaalsContact O-N 3.15Å | ||
| 1453 | S | 41.8 | Very low | 51.9 | Low | 123 Ų | 123 | 129.7 Ų | 129.7 | 86% | 0.86 | 71% | 0.708 | S | S | * | * | trans | -64.3 | 111.7 | 178.4 | 58.1 | 0 | 0 | 0 | 0 | 111.9 | P1451 | P1451-S1453 VanDerWaalsContact C-N 3.35Å; P1451-S1453 PolarHBondContact O-N 3.41Å | ||
| 1454 | S | 40.4 | Very low | 50.3 | Low | 119 Ų | 119 | 127.9 Ų | 127.9 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | trans | -122.6 | 172.5 | 178.6 | 48.3 | 0 | 0 | 0 | 0 | 112 | S1452 | S1452-S1454 PolarHBondContact O-N 3.09Å; S1452-S1454 VanDerWaalsContact O-N 3.15Å | ||
| 1455 | S | 37.8 | Very low | 48.8 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 81% | 0.811 | 72% | 0.723 | S | S | * | * | trans | -96.4 | 154.7 | -147.8 | 53.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 1456 | S | 40.1 | Very low | 47.3 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | trans | -174.8 | 149.7 | 153.1 | 27.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1457 | D | 40.9 | Very low | 45.7 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | cis | -167.2 | 154.7 | -6.6 | -114.8 | -23.2 | 0 | 0 | 0 | 112.5 | ||||
| 1458 | V | 42.9 | Very low | 44.2 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | 67.4 | 144.5 | 137.7 | 164.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1459 | P | 40.9 | Very low | 42.9 | Very low | 98 Ų | 98 | 128 Ų | 128 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | cis | -150.9 | -178 | -27.4 | 43.7 | -23.7 | 0 | 0 | 0 | 118.6 | ||||
| 1460 | L | 41.2 | Very low | 42 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | 84.9 | 152 | 139 | -92.2 | 160 | 0 | 0 | 0 | 125.1 | ||||
| 1461 | E | 40.3 | Very low | 41.5 | Very low | 157 Ų | 157 | 127.4 Ų | 127.4 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | 69.4 | 131.5 | 173.7 | -65.2 | -162.8 | -153 | 0 | 0 | 117.8 | ||||
| 1462 | N | 43.1 | Very low | 41 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 60% | 0.599 | 77% | 0.77 | S | S | * | * | cis | -159 | 132.8 | 0.4 | -94.1 | -32.1 | 0 | 0 | 0 | 113.6 | ||||
| 1463 | I | 45.9 | Very low | 41 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | 56.6 | 139.2 | 126 | -61.1 | 170.1 | 0 | 0 | 0 | 120.7 | |||||
| 1464 | P | 42.5 | Very low | 40.7 | Very low | 114 Ų | 114 | 126 Ų | 126 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | cis | -148.2 | -173.1 | -27 | 44 | -23.3 | 0 | 0 | 0 | 117.2 | ||||
| 1465 | A | 41.9 | Very low | 40.4 | Very low | 92 Ų | 92 | 125 Ų | 125 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | trans | 68.7 | 156.7 | 147.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1466 | E | 43.3 | Very low | 40.3 | Very low | 192 Ų | 192 | 125.6 Ų | 125.6 | 90% | 0.897 | 75% | 0.745 | S | S | * | * | cis | -139.7 | 150.3 | 8.3 | -68.8 | -178.6 | 133.5 | 0 | 0 | 113.4 | ||||
| 1467 | G | 40.7 | Very low | 39.9 | Very low | 73 Ų | 73 | 131.3 Ų | 131.3 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | trans | 70.3 | 146 | 152.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1468 | F | 40.5 | Very low | 39.6 | Very low | 205 Ų | 205 | 129 Ų | 129 | 90% | 0.899 | 75% | 0.745 | S | S | * | * | cis | -154.8 | 142.7 | -5.2 | -133 | -89.6 | 0 | 0 | 0 | 108.9 | ||||
| 1469 | N | 38.7 | Very low | 39.3 | Very low | 137 Ų | 137 | 130.7 Ų | 130.7 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | -90.1 | 173 | 173.6 | -61.5 | -16.7 | 0 | 0 | 0 | 110.1 | ||||
| 1470 | D | 39.4 | Very low | 38.8 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | 174.1 | 178.4 | 57.3 | -125.6 | -46.5 | 0 | 0 | 0 | 112.8 | |||||
| 1471 | A | 40.7 | Very low | 38.7 | Very low | 85 Ų | 85 | 134.9 Ų | 134.9 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | trans | 69.4 | 92.2 | 152.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1472 | S | 36.3 | Very low | 38.4 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | -27.1 | 178 | 122.4 | -54.6 | 0 | 0 | 0 | 0 | 118 | |||||
| 1473 | P | 42.4 | Very low | 38.1 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | cis | -142.5 | -175.9 | -34.8 | 36.5 | -16.9 | 0 | 0 | 0 | 115.5 | ||||
| 1474 | S | 34.3 | Very low | 37.7 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | 82.1 | 131.6 | 137.5 | 75.5 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1475 | S | 34.1 | Very low | 37.3 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | trans | 88.7 | 149.1 | 137.7 | 86.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 1476 | N | 35.4 | Very low | 36.9 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 69% | 0.69 | 74% | 0.74 | S | S | * | * | trans | 79.5 | 106.5 | 151.1 | -73.2 | -55.2 | 0 | 0 | 0 | 122.3 | ||||
| 1477 | R | 33.3 | Very low | 36.5 | Very low | 226 Ų | 226 | 126.4 Ų | 126.4 | 85% | 0.853 | 72% | 0.716 | S | S | * | * | 69.5 | 113.9 | 125.7 | -74.1 | -177.3 | 164.7 | -155.9 | -4.3 | 120.6 | |||||
| 1478 | S | 33.1 | Very low | 36.5 | Very low | 97 Ų | 97 | 126.6 Ų | 126.6 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | 62.7 | 105.4 | 113.5 | -157.9 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 1479 | N | 36.6 | Very low | 36.2 | Very low | 155 Ų | 155 | 123 Ų | 123 | 83% | 0.829 | 69% | 0.685 | S | S | * | * | -176.3 | 148.1 | 107.9 | -91.7 | -30.2 | 0 | 0 | 0 | 114.3 | |||||
| 1480 | R | 31.8 | Very low | 36.2 | Very low | 238 Ų | 238 | 124.3 Ų | 124.3 | 90% | 0.898 | 68% | 0.68 | S | S | * | * | trans | -78.3 | 178.3 | 160.3 | -119.5 | -176.8 | 175 | -172.3 | -1 | 108.5 | ||||
| 1481 | P | 38.2 | Very low | 36 | Very low | 107 Ų | 107 | 122.9 Ų | 122.9 | 70% | 0.695 | 67% | 0.669 | S | S | * | * | cis | -146.1 | -178.1 | 10.8 | 45.4 | -26.8 | 0 | 0 | 0 | 118.1 | ||||
| 1482 | S | 33.4 | Very low | 36 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 83% | 0.825 | 67% | 0.667 | S | S | * | * | trans | 74.4 | 157.1 | 137.3 | -153.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1483 | A | 37.1 | Very low | 36.1 | Very low | 82 Ų | 82 | 125.6 Ų | 125.6 | 68% | 0.678 | 66% | 0.663 | S | S | * | * | trans | 78.8 | 113.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1484 | K | 37.5 | Very low | 35.8 | Very low | 201 Ų | 201 | 126.2 Ų | 126.2 | 87% | 0.874 | 66% | 0.656 | S | S | * | * | 78.4 | 141.3 | 69.8 | -76.8 | -156.8 | 175.3 | -163 | 0 | 112.9 | |||||
| 1485 | T | 34.2 | Very low | 36.1 | Very low | 85 Ų | 85 | 124.4 Ų | 124.4 | 52% | 0.521 | 64% | 0.644 | S | S | . | * | cis | -176.8 | 148.3 | -2.8 | -95.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1486 | D | 34.3 | Very low | 36.3 | Very low | 64 Ų | 64 | 125.3 Ų | 125.3 | 34% | 0.342 | 65% | 0.65 | S | S | . | * | trans | 55.6 | 156.1 | 164.3 | -67.7 | -37.7 | 0 | 0 | 0 | 119.2 | E149 T150 | E149-D1486 PolarHBondContact N-OD1 3.15Å; E149-D1486 VanDerWaalsContact N-OD1 3.16Å; E149-D1486 PolarHBondContact O-N 3.12Å; T150-D1486 VanDerWaalsContact OG1-CA 3.3Å; T150-D1486 WeakPolarHBondContact OG1-CA 3.3Å; T150-D1486 PolarHBondContact OG1-N 3.08Å | ||
| 1487 | Q | 35.3 | Very low | 36.6 | Very low | 85 Ų | 85 | 122.8 Ų | 122.8 | 40% | 0.397 | 66% | 0.655 | S | S | . | * | cis | -161.9 | 157.5 | -9.1 | -118.7 | 174.5 | 45 | 0 | 0 | 113.5 | E148 E149 T150 | E148-Q1487 HydrophobicContact CB-CG 4.27Å; E148-Q1487 VanDerWaalsContact CB-NE2 3.27Å; E148-Q1487 VanDerWaalsContact OE2-CD 3.27Å; E148-Q1487 PolarHBondContact OE2-NE2 3.15Å; E148-Q1487 PolarHBondContact OE2-OE1 2.89Å; E149-Q1487 HydrophobicContact CB-CG 4.26Å; T150-Q1487 VanDerWaalsContact CG2-CA 3.49Å | ||
| 1488 | L | 39.1 | Very low | 36.8 | Very low | 76 Ų | 76 | 118.3 Ų | 118.3 | 40% | 0.398 | 65% | 0.653 | S | S | . | * | trans | 21.2 | 127.2 | 133 | -94.3 | 150.1 | 0 | 0 | 0 | 120.7 | E148 E149 | E148-L1488 HydrophobicContact CG-CD1 4.17Å; E148-L1488 VanDerWaalsContact OE1-CD1 3.31Å; E148-L1488 WeakPolarHBondContact OE1-CD1 3.41Å; E149-L1488 WeakPolarHBondContact OE2-CG 3.34Å; E149-L1488 PolarHBondContact OE2-N 2.9Å | ||
| 1489 | E | 35.2 | Very low | 37 | Very low | 130 Ų | 130 | 121.2 Ų | 121.2 | 61% | 0.607 | 66% | 0.66 | S | S | * | * | 174 | 141.8 | 97.7 | -92.9 | -135 | 130.1 | 0 | 0 | 117 | |||||
| 1490 | R | 38.9 | Very low | 36.9 | Very low | 165 Ų | 165 | 119.1 Ų | 119.1 | 62% | 0.623 | 65% | 0.653 | S | S | * | * | trans | 75.7 | 120.6 | 136.4 | -77.1 | -166.7 | 150.9 | 92.1 | 21 | 126.1 | ||||
| 1491 | E | 35.7 | Very low | 37.1 | Very low | 119 Ų | 119 | 114.7 Ų | 114.7 | 56% | 0.556 | 65% | 0.646 | S | S | * | * | 81.8 | 153.2 | 120 | -68.2 | -176.8 | 172.5 | 0 | 0 | 121.8 | |||||
| 1492 | K | 39.8 | Very low | 37.1 | Very low | 152 Ų | 152 | 116.9 Ų | 116.9 | 66% | 0.661 | 65% | 0.647 | S | S | * | * | cis | -166.8 | 158.4 | 0.2 | -127.3 | 168.5 | -165.9 | 148.7 | 0 | 116.2 | ||||
| 1493 | S | 38.2 | Very low | 37.1 | Very low | 101 Ų | 101 | 118.7 Ų | 118.7 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | trans | 64.5 | 169.8 | 137.5 | 74.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1494 | E | 37.2 | Very low | 37.2 | Very low | 123 Ų | 123 | 120.1 Ų | 120.1 | 58% | 0.575 | 65% | 0.648 | S | S | * | * | cis | -159.8 | -179.5 | -16 | -124.2 | -176.7 | -95.1 | 0 | 0 | 105 | T170 | T170-E1494 PolarHBondContact N-OE2 3.24Š| ||
| 1495 | S | 39.5 | Very low | 37.2 | Very low | 62 Ų | 62 | 116.8 Ų | 116.8 | 43% | 0.434 | 64% | 0.639 | S | S | . | * | cis | 179.5 | 161.2 | -2.6 | 49.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1496 | S | 38.3 | Very low | 37.3 | Very low | 117 Ų | 117 | 119.5 Ų | 119.5 | 82% | 0.818 | 65% | 0.65 | S | S | * | * | cis | -177.2 | 157.9 | -21.1 | -76.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1497 | G | 41.2 | Very low | 37.6 | Very low | 76 Ų | 76 | 122.5 Ų | 122.5 | 78% | 0.784 | 67% | 0.667 | S | S | * | * | trans | -171 | 142.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1498 | T | 38.4 | Very low | 37.8 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | trans | -158.2 | 168.4 | -151.1 | -30.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1499 | L | 38 | Very low | 37.7 | Very low | 158 Ų | 158 | 126.8 Ų | 126.8 | 83% | 0.827 | 71% | 0.705 | S | S | * | * | trans | 136 | 174.8 | 148.3 | -67.1 | -174.9 | 0 | 0 | 0 | 116 | ||||
| 1500 | T | 34.6 | Very low | 37.8 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 69% | 0.687 | 72% | 0.717 | S | S | * | * | trans | -160.5 | 175.4 | -146.8 | 53.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1501 | L | 35.6 | Very low | 38.4 | Very low | 145 Ų | 145 | 124.8 Ų | 124.8 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | trans | 85.6 | 160.4 | 159.3 | -104.7 | 64.8 | 0 | 0 | 0 | 117.7 | ||||
| 1502 | Q | 37.2 | Very low | 38.4 | Very low | 152 Ų | 152 | 124.4 Ų | 124.4 | 71% | 0.71 | 72% | 0.722 | S | S | * | * | cis | -155.5 | 173.2 | 16.7 | -155.5 | 162.3 | -14.1 | 0 | 0 | 115.7 | ||||
| 1503 | Q | 35 | Very low | 38.1 | Very low | 157 Ų | 157 | 123.3 Ų | 123.3 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | -37.9 | 176.6 | 178.5 | -62.2 | 155.6 | -60.7 | 0 | 0 | 119.9 | ||||
| 1504 | S | 38.8 | Very low | 38.1 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | cis | -161.1 | -175.7 | 31.8 | 61.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1505 | N | 36.2 | Very low | 37.9 | Very low | 131 Ų | 131 | 124.9 Ų | 124.9 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | trans | -56.7 | -167.4 | -177.8 | -39.5 | 2 | 0 | 0 | 0 | 118.7 | ||||
| 1506 | D | 37.9 | Very low | 37.7 | Very low | 141 Ų | 141 | 126.2 Ų | 126.2 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | cis | -154.3 | -179.5 | 12.8 | -72.7 | -65.1 | 0 | 0 | 0 | 108.7 | ||||
| 1507 | D | 38.7 | Very low | 37.4 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | cis | -173.1 | 164.2 | -44.2 | -169.7 | 3.1 | 0 | 0 | 0 | 109.7 | ||||
| 1508 | H | 40.4 | Very low | 37.1 | Very low | 174 Ų | 174 | 130.5 Ų | 130.5 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | trans | 71.2 | 152.2 | 171.3 | -62.7 | 12.8 | 0 | 0 | 0 | 119.3 | ||||
| 1509 | G | 36.7 | Very low | 36.9 | Very low | 77 Ų | 77 | 129.9 Ų | 129.9 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | cis | -170.6 | 179.7 | 1.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1510 | D | 38.4 | Very low | 36.7 | Very low | 161 Ų | 161 | 129 Ų | 129 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | trans | -96.1 | -165.5 | -169.9 | -147.3 | 17.8 | 0 | 0 | 0 | 111.8 | ||||
| 1511 | P | 49.8 | Very low | 36.6 | Very low | 93 Ų | 93 | 127.7 Ų | 127.7 | 60% | 0.604 | 75% | 0.745 | S | S | * | * | cis | -147.9 | -175.8 | -5.1 | 38.3 | -14.1 | 0 | 0 | 0 | 119.8 | ||||
| 1512 | T | 35.8 | Very low | 36.6 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 68% | 0.681 | 75% | 0.745 | S | S | * | * | trans | 80.7 | 123.2 | 139.4 | 43.9 | 0 | 0 | 0 | 0 | 127.4 | ||||
| 1513 | T | 33.7 | Very low | 36.6 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | trans | 69.8 | 160.2 | 139.4 | 60.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1514 | V | 38.4 | Very low | 36.7 | Very low | 138 Ų | 138 | 127.7 Ų | 127.7 | 84% | 0.836 | 74% | 0.738 | S | S | * | * | cis | -144.9 | 168 | 26.6 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1515 | S | 33.9 | Very low | 36.4 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | trans | -101.5 | 154.1 | -177.9 | -38.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 1516 | A | 35.6 | Very low | 36.4 | Very low | 90 Ų | 90 | 128.2 Ų | 128.2 | 74% | 0.744 | 73% | 0.733 | S | S | * | * | trans | -174.1 | 141.6 | 152 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1517 | N | 31.8 | Very low | 36.2 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | 73.4 | 133.6 | 51.6 | -80 | 13.3 | 0 | 0 | 0 | 113.6 | |||||
| 1518 | L | 34.6 | Very low | 35.9 | Very low | 138 Ų | 138 | 128.9 Ų | 128.9 | 72% | 0.723 | 74% | 0.735 | S | S | * | * | cis | -158.5 | 160.1 | 5.6 | -89.9 | 143.9 | 0 | 0 | 0 | 111.5 | ||||
| 1519 | N | 34 | Very low | 35.7 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 63% | 0.631 | 74% | 0.736 | S | S | * | * | trans | 53.7 | 146.4 | 143.7 | -69.9 | 43.1 | 0 | 0 | 0 | 125.7 | ||||
| 1520 | D | 32.8 | Very low | 35.5 | Very low | 140 Ų | 140 | 129.1 Ų | 129.1 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | trans | 25.6 | 153.5 | 131.8 | -25.1 | -38 | 0 | 0 | 0 | 121.2 | ||||
| 1521 | A | 33.8 | Very low | 35.2 | Very low | 84 Ų | 84 | 129.2 Ų | 129.2 | 69% | 0.694 | 72% | 0.724 | S | S | * | * | cis | -159 | 167.9 | 15.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1522 | D | 34.3 | Very low | 34.4 | Very low | 143 Ų | 143 | 132 Ų | 132 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | trans | 51.1 | 123.8 | 138.4 | -79.7 | -26.3 | 0 | 0 | 0 | 125.6 | ||||
| 1523 | E | 37.2 | Very low | 34.3 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 62% | 0.617 | 74% | 0.741 | S | S | * | * | 75.9 | 147.2 | 126 | -83.9 | -156.3 | 117 | 0 | 0 | 125.8 | |||||
| 1524 | R | 37.1 | Very low | 34.3 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | trans | 82.1 | 104.2 | 147.3 | -75.2 | 163.6 | -148.9 | -101.7 | -14.5 | 121.9 | ||||
| 1525 | M | 34.2 | Very low | 34.3 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | 98.5 | 94.1 | 117.1 | -75.5 | -162.7 | -65.1 | 0 | 0 | 122.5 | |||||
| 1526 | T | 34.8 | Very low | 34.4 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 66% | 0.663 | 75% | 0.746 | S | S | * | * | 71.6 | 142.2 | 119.3 | 62.4 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1527 | K | 35.4 | Very low | 35.1 | Very low | 191 Ų | 191 | 135.7 Ų | 135.7 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | trans | 66 | 125.9 | 149.7 | -72.7 | 162.8 | 179.8 | 174.4 | 0 | 116.1 | ||||
| 1528 | S | 32.4 | Very low | 35.2 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | cis | 159 | 173.1 | 17.9 | 45.6 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 1529 | L | 34.4 | Very low | 35.4 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | 71.3 | 153 | 172.5 | -51.2 | 167.8 | 0 | 0 | 0 | 115.2 | ||||
| 1530 | C | 32.4 | Very low | 35.9 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | cis | -171.4 | 157.9 | -38.9 | -111.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1531 | E | 32.2 | Very low | 36.2 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | trans | 58.4 | 118.9 | 150.6 | -64.8 | 175.8 | 112.7 | 0 | 0 | 122.5 | ||||
| 1532 | N | 33 | Very low | 36.4 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | 50.2 | 100.2 | 126.3 | -57.1 | -25.2 | 0 | 0 | 0 | 122.6 | |||||
| 1533 | A | 34.9 | Very low | 36.3 | Very low | 99 Ų | 99 | 139 Ų | 139 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | -172.3 | 136.4 | 129.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 1534 | Q | 33.9 | Very low | 36.4 | Very low | 196 Ų | 196 | 138.8 Ų | 138.8 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | cis | 80.9 | 68.2 | 21.1 | -154.8 | -178.7 | 19.4 | 0 | 0 | 116.8 | ||||
| 1535 | S | 38 | Very low | 36.3 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -166.7 | 102.6 | 151.1 | 55.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1536 | D | 36.6 | Very low | 36.4 | Very low | 165 Ų | 165 | 137.3 Ų | 137.3 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | 46.8 | 171.7 | 125.6 | -109.5 | 2.4 | 0 | 0 | 0 | 122.1 | |||||
| 1537 | P | 49.7 | Very low | 36.4 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 61% | 0.61 | 77% | 0.773 | S | S | * | * | trans | -119.1 | -173.6 | -131.3 | 41.9 | -27 | 0 | 0 | 0 | 114.1 | ||||
| 1538 | F | 34.3 | Very low | 36.4 | Very low | 179 Ų | 179 | 133.5 Ų | 133.5 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | 172.6 | 152.2 | 127 | -110.3 | -97.2 | 0 | 0 | 0 | 114.1 | |||||
| 1539 | E | 37.3 | Very low | 36.5 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | trans | 73.8 | 123.5 | 151.3 | -103.8 | 163.6 | -134.8 | 0 | 0 | 124.5 | ||||
| 1540 | P | 45.3 | Very low | 36.6 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -113.5 | 140.5 | 170.3 | 39 | -29 | 0 | 0 | 0 | 114.6 | ||||
| 1541 | I | 39.3 | Very low | 36.9 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | trans | -150.2 | 164.4 | 175.5 | -8.2 | 177 | 0 | 0 | 0 | 110.7 | ||||
| 1542 | P | 38 | Very low | 37.4 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | -123.8 | 168 | -88.6 | 41.3 | -28.9 | 0 | 0 | 0 | 115.2 | |||||
| 1543 | S | 32.2 | Very low | 37.5 | Very low | 119 Ų | 119 | 130 Ų | 130 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 131.1 | 170.1 | -46.7 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1544 | P | 39.7 | Very low | 37.8 | Very low | 128 Ų | 128 | 135 Ų | 135 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 139.6 | 172.8 | 32.7 | -33 | 0 | 0 | 0 | 112.1 | ||
| 1545 | S | 33.7 | Very low | 37.7 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -78 | 161.5 | 169.6 | 69.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1546 | M | 37.6 | Very low | 37.7 | Very low | 182 Ų | 182 | 133.6 Ų | 133.6 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | -161.4 | 132.4 | 126.6 | -101.9 | -82.3 | -98.1 | 0 | 0 | 111.9 | |||||
| 1547 | A | 34.9 | Very low | 37.6 | Very low | 69 Ų | 69 | 129.5 Ų | 129.5 | 57% | 0.57 | 78% | 0.783 | S | S | * | * | trans | -69.2 | 175.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1548 | N | 35.5 | Very low | 37 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | cis | -162.5 | 152.9 | 16.5 | -112.6 | -33.7 | 0 | 0 | 0 | 108 | ||||
| 1549 | L | 34.8 | Very low | 37.3 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | 176.2 | 160.4 | 117.9 | -95.5 | 163.9 | 0 | 0 | 0 | 112 | |||||
| 1550 | S | 35.8 | Very low | 37.2 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | trans | -141.2 | 153.5 | -166 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1551 | T | 39.3 | Very low | 37.5 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | -170 | 136.9 | 129.9 | 12.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1552 | A | 41.2 | Very low | 37.9 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | 40.8 | 129.7 | 153 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1553 | G | 35.7 | Very low | 38.4 | Very low | 77 Ų | 77 | 130.6 Ų | 130.6 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | cis | 137.2 | 119.8 | -14.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1554 | E | 40.5 | Very low | 39.1 | Very low | 202 Ų | 202 | 130.7 Ų | 130.7 | 94% | 0.944 | 77% | 0.771 | S | S | * | * | trans | -144.2 | 145.1 | 152.5 | -114.4 | 170.4 | -158.7 | 0 | 0 | 106.5 | ||||
| 1555 | S | 31.8 | Very low | 39.7 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -136.7 | 124.1 | -160.9 | -173.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1556 | I | 37.9 | Very low | 41.3 | Very low | 162 Ų | 162 | 132.1 Ų | 132.1 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | trans | -110.2 | 118.6 | 166.3 | -62.6 | 177.4 | 0 | 0 | 0 | 106.9 | F1558 | I1556-F1558 PolarHBondContact O-N 3.39Š| ||
| 1557 | A | 34.3 | Very low | 43.5 | Very low | 80 Ų | 80 | 126 Ų | 126 | 66% | 0.661 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 121.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1558 | F | 37.7 | Very low | 45.4 | Very low | 203 Ų | 203 | 127.4 Ų | 127.4 | 89% | 0.89 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 137.3 | 158.9 | -94.9 | -96 | 0 | 0 | 0 | 109.9 | I1556 | I1556-F1558 PolarHBondContact O-N 3.39Š|
| 1559 | Y | 41.3 | Very low | 47.4 | Very low | 216 Ų | 216 | 128 Ų | 128 | 85% | 0.847 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 142.6 | -178.6 | -82.3 | -109 | 0 | 0 | 0 | 111.5 | ||
| 1560 | S | 35.7 | Very low | 49.6 | Very low | 71 Ų | 71 | 123 Ų | 123 | 50% | 0.497 | 72% | 0.715 | S | S | . | * | P | Polyproline II helix | trans | -75.5 | 140.6 | 168.2 | -167.1 | 0 | 0 | 0 | 0 | 111.4 | D1562 S1563 | S1560-D1562 WeakPolarHBondContact CB-OD2 3.21Å; S1560-D1562 PolarHBondContact O-N 2.83Å; S1560-D1562 VanDerWaalsContact OG-CG 3.27Å; S1560-D1562 PolarHBondContact OG-OD2 3.23Å; S1560-S1563 PolarHBondContact O-OG 2.89Å; S1560-S1563 VanDerWaalsContact O-OG 3.12Å |
| 1561 | C | 50.2 | Low | 51.6 | Low | 106 Ų | 106 | 122.1 Ų | 122.1 | 72% | 0.716 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -67.4 | -10.1 | 177.1 | -64.9 | 0 | 0 | 0 | 0 | 113.9 | S1563 L1564 | C1561-S1563 PolarHBondContact O-N 3.06Å; C1561-L1564 PolarHBondContact O-N 3.34Å |
| 1562 | D | 47.5 | Very low | 53.6 | Low | 153 Ų | 153 | 120.6 Ų | 120.6 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -60.2 | 1.6 | 178.7 | -52.2 | -49.9 | 0 | 0 | 0 | 114.9 | S1560 | S1560-D1562 WeakPolarHBondContact CB-OD2 3.21Å; S1560-D1562 PolarHBondContact O-N 2.83Å; S1560-D1562 VanDerWaalsContact OG-CG 3.27Å; S1560-D1562 PolarHBondContact OG-OD2 3.23Å |
| 1563 | S | 48.4 | Very low | 55.7 | Low | 86 Ų | 86 | 122.8 Ų | 122.8 | 60% | 0.601 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -113 | -0 | -175 | 56.7 | 0 | 0 | 0 | 0 | 114.6 | S1560 C1561 | S1560-S1563 PolarHBondContact O-OG 2.89Å; S1560-S1563 VanDerWaalsContact O-OG 3.12Å; C1561-S1563 PolarHBondContact O-N 3.06Å |
| 1564 | L | 48.5 | Very low | 58 | Low | 121 Ų | 121 | 123.4 Ų | 123.4 | 63% | 0.634 | 66% | 0.664 | S | S | * | * | trans | -107.3 | 107.9 | 178.3 | -65.5 | 178.3 | 0 | 0 | 0 | 111.7 | C1561 L1566 | C1561-L1564 PolarHBondContact O-N 3.34Å; L1564-L1566 HydrophobicContact CB-CG 4.4Å; L1564-L1566 PolarHBondContact O-N 2.85Å | ||
| 1565 | N | 51.8 | Low | 60.1 | Low | 179 Ų | 179 | 119.4 Ų | 119.4 | 96% | 0.957 | 65% | 0.645 | S | S | * | * | trans | -72.3 | 73.5 | 168.8 | -76.6 | -32.4 | 0 | 0 | 0 | 110.7 | ||||
| 1566 | L | 67.6 | Low | 62.6 | Low | 90 Ų | 90 | 120.1 Ų | 120.1 | 47% | 0.471 | 64% | 0.635 | S | S | . | * | trans | -76.2 | 145.3 | 165.5 | -70.1 | 164.8 | 0 | 0 | 0 | 109.5 | L1564 D1570 V1571 L1574 | L1564-L1566 HydrophobicContact CB-CG 4.4Å; L1564-L1566 PolarHBondContact O-N 2.85Å; L1566-D1570 HydrophobicContact CB-CB 4.09Å; L1566-D1570 HydrophobicContact CD2-CB 4.02Å; L1566-V1571 HydrophobicContact CB-CG2 4.46Å; L1566-L1574 HydrophobicContact CD1-CD1 4.22Å | ||
| 1567 | S | 82.9 | Confident | 64.9 | Low | 53 Ų | 53 | 116 Ų | 116 | 37% | 0.371 | 62% | 0.615 | S | S | . | * | trans | -76.1 | 165.5 | 176.3 | 74.9 | 0 | 0 | 0 | 0 | 111.4 | E1569 D1570 V1571 | S1567-E1569 PolarHBondContact O-N 3.16Å; S1567-E1569 PolarHBondContact OG-N 3.1Å; S1567-D1570 WeakPolarHBondContact CA-OD2 3.36Å; S1567-D1570 VanDerWaalsContact CB-OD2 3.23Å; S1567-D1570 WeakPolarHBondContact CB-OD2 3.42Å; S1567-D1570 PolarHBondContact N-OD2 3.39Å; S1567-D1570 PolarHBondContact O-N 3.46Å; S1567-D1570 VanDerWaalsContact O-N 3.17Å; S1567-D1570 VanDerWaalsContact OG-CG 3.25Å; S1567-D1570 PolarHBondContact OG-N 3.03Å; S1567-D1570 PolarHBondContact OG-OD2 3.39Å; S1567-V1571 WeakPolarHBondContact O-CG2 3.28Å; S1567-V1571 PolarHBondContact O-N 2.83Å; S1567-V1571 VanDerWaalsContact O-N 3.13Å | ||
| 1568 | C | 74.8 | Confident | 67.4 | Low | 98 Ų | 98 | 116.1 Ų | 116.1 | 66% | 0.662 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -59.5 | -35.3 | 174.3 | -160.8 | 0 | 0 | 0 | 0 | 111.7 | V1571 D1572 | C1568-V1571 PolarHBondContact O-N 2.82Å; C1568-D1572 PolarHBondContact O-N 2.95Å |
| 1569 | E | 76.8 | Confident | 69.7 | Low | 162 Ų | 162 | 111.2 Ų | 111.2 | 76% | 0.757 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.6 | -36.8 | 177.5 | -59.6 | -178.5 | 164.7 | 0 | 0 | 111.6 | S1567 V1571 Y1573 | S1567-E1569 PolarHBondContact O-N 3.16Å; S1567-E1569 PolarHBondContact OG-N 3.1Å; E1569-V1571 VanDerWaalsContact C-N 3.34Å; E1569-Y1573 VanDerWaalsContact O-CB 3.26Å; E1569-Y1573 WeakPolarHBondContact O-CB 3.45Å; E1569-Y1573 PolarHBondContact O-N 3.34Å |
| 1570 | D | 82.2 | Confident | 71.7 | Confident | 71 Ų | 71 | 105.4 Ų | 105.4 | 38% | 0.38 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.9 | -36.3 | 173.7 | -61.3 | -63.5 | 0 | 0 | 0 | 112 | L1566 S1567 L1574 | L1566-D1570 HydrophobicContact CB-CB 4.09Å; L1566-D1570 HydrophobicContact CD2-CB 4.02Å; S1567-D1570 WeakPolarHBondContact CA-OD2 3.36Å; S1567-D1570 VanDerWaalsContact CB-OD2 3.23Å; S1567-D1570 WeakPolarHBondContact CB-OD2 3.42Å; S1567-D1570 PolarHBondContact N-OD2 3.39Å; S1567-D1570 PolarHBondContact O-N 3.46Å; S1567-D1570 VanDerWaalsContact O-N 3.17Å; S1567-D1570 VanDerWaalsContact OG-CG 3.25Å; S1567-D1570 PolarHBondContact OG-N 3.03Å; S1567-D1570 PolarHBondContact OG-OD2 3.39Å; D1570-L1574 WeakPolarHBondContact O-CB 3.31Å; D1570-L1574 PolarHBondContact O-N 3.28Å |
| 1571 | V | 78.3 | Confident | 74.1 | Confident | 80 Ų | 80 | 107.3 Ų | 107.3 | 49% | 0.485 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71.2 | -44.3 | 178.7 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | L1566 S1567 C1568 E1569 Y1573 L1574 H1575 | L1566-V1571 HydrophobicContact CB-CG2 4.46Å; S1567-V1571 WeakPolarHBondContact O-CG2 3.28Å; S1567-V1571 PolarHBondContact O-N 2.83Å; S1567-V1571 VanDerWaalsContact O-N 3.13Å; C1568-V1571 PolarHBondContact O-N 2.82Å; E1569-V1571 VanDerWaalsContact C-N 3.34Å; V1571-Y1573 VanDerWaalsContact C-N 3.33Å; V1571-L1574 PolarHBondContact O-N 3.37Å; V1571-H1575 WeakPolarHBondContact O-CB 3.48Å; V1571-H1575 PolarHBondContact O-N 2.97Å |
| 1572 | D | 81.3 | Confident | 75.7 | Confident | 106 Ų | 106 | 110.2 Ų | 110.2 | 57% | 0.567 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.2 | -39.3 | 174.6 | -75.1 | -31.8 | 0 | 0 | 0 | 111.3 | C1568 H1575 Q1576 | C1568-D1572 PolarHBondContact O-N 2.95Å; D1572-H1575 PolarHBondContact O-N 3.05Å; D1572-Q1576 WeakPolarHBondContact O-CB 3.42Å; D1572-Q1576 PolarHBondContact O-N 3.03Å |
| 1573 | Y | 83.7 | Confident | 77.4 | Confident | 148 Ų | 148 | 108 Ų | 108 | 58% | 0.58 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63 | -45.5 | 173.4 | -176.5 | -104 | 0 | 0 | 0 | 112 | E1569 V1571 H1575 Q1576 L1577 | E1569-Y1573 VanDerWaalsContact O-CB 3.26Å; E1569-Y1573 WeakPolarHBondContact O-CB 3.45Å; E1569-Y1573 PolarHBondContact O-N 3.34Å; V1571-Y1573 VanDerWaalsContact C-N 3.33Å; Y1573-H1575 PolarHBondContact O-N 2.79Å; Y1573-Q1576 PolarHBondContact O-N 2.85Å; Y1573-L1577 WeakPolarHBondContact O-CB 3.37Å; Y1573-L1577 PolarHBondContact O-N 3.25Å |
| 1574 | L | 84.2 | Confident | 79 | Confident | 89 Ų | 89 | 113.1 Ų | 113.1 | 47% | 0.466 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60 | -42.3 | 173.9 | -95 | 160.8 | 0 | 0 | 0 | 112.2 | L1566 D1570 V1571 L1577 L1578 | L1566-L1574 HydrophobicContact CD1-CD1 4.22Å; D1570-L1574 WeakPolarHBondContact O-CB 3.31Å; D1570-L1574 PolarHBondContact O-N 3.28Å; V1571-L1574 PolarHBondContact O-N 3.37Å; L1574-L1577 PolarHBondContact O-N 3.25Å; L1574-L1578 VanDerWaalsContact O-CB 3.26Å; L1574-L1578 WeakPolarHBondContact O-CB 3.42Å; L1574-L1578 PolarHBondContact O-N 2.77Å |
| 1575 | H | 84.6 | Confident | 80.6 | Confident | 119 Ų | 119 | 114.1 Ų | 114.1 | 55% | 0.551 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66 | -40.3 | 177.7 | -165.9 | -70.7 | 0 | 0 | 0 | 111.6 | V1571 D1572 Y1573 L1578 Q1579 | V1571-H1575 WeakPolarHBondContact O-CB 3.48Å; V1571-H1575 PolarHBondContact O-N 2.97Å; D1572-H1575 PolarHBondContact O-N 3.05Å; Y1573-H1575 PolarHBondContact O-N 2.79Å; H1575-L1578 PolarHBondContact O-N 2.91Å; H1575-Q1579 WeakPolarHBondContact O-CB 3.31Å; H1575-Q1579 PolarHBondContact O-N 2.87Å |
| 1576 | Q | 85.5 | Confident | 82.1 | Confident | 129 Ų | 129 | 112.3 Ų | 112.3 | 60% | 0.603 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.6 | -38.8 | 176.4 | -169.3 | 168.2 | 92.4 | 0 | 0 | 111.9 | D1572 Y1573 Q1579 L1580 | D1572-Q1576 WeakPolarHBondContact O-CB 3.42Å; D1572-Q1576 PolarHBondContact O-N 3.03Å; Y1573-Q1576 PolarHBondContact O-N 2.85Å; Q1576-Q1579 PolarHBondContact O-N 2.86Å; Q1576-L1580 WeakPolarHBondContact O-CG 3.45Å; Q1576-L1580 PolarHBondContact O-N 3.37Å |
| 1577 | L | 86.4 | Confident | 82.7 | Confident | 76 Ų | 76 | 112.5 Ų | 112.5 | 40% | 0.398 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 174.1 | -156.6 | 80.1 | 0 | 0 | 0 | 111.4 | Y1573 L1574 Q1579 L1580 E1581 | Y1573-L1577 WeakPolarHBondContact O-CB 3.37Å; Y1573-L1577 PolarHBondContact O-N 3.25Å; L1574-L1577 PolarHBondContact O-N 3.25Å; L1577-Q1579 VanDerWaalsContact C-N 3.28Å; L1577-Q1579 PolarHBondContact O-N 2.83Å; L1577-L1580 WeakPolarHBondContact O-CB 3.41Å; L1577-L1580 PolarHBondContact O-N 3.25Å; L1577-L1580 VanDerWaalsContact O-N 3.17Å; L1577-E1581 PolarHBondContact O-N 3.32Å |
| 1578 | L | 86.5 | Confident | 82.7 | Confident | 82 Ų | 82 | 114.5 Ų | 114.5 | 43% | 0.429 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.2 | -27.9 | -179.5 | -161.7 | 149.2 | 0 | 0 | 0 | 112 | L1574 H1575 R1582 | L1574-L1578 VanDerWaalsContact O-CB 3.26Å; L1574-L1578 WeakPolarHBondContact O-CB 3.42Å; L1574-L1578 PolarHBondContact O-N 2.77Å; H1575-L1578 PolarHBondContact O-N 2.91Å; L1578-R1582 WeakPolarHBondContact O-CG 3.37Å; L1578-R1582 PolarHBondContact O-N 2.88Å; L1578-R1582 VanDerWaalsContact O-N 3.12Å |
| 1579 | Q | 84.7 | Confident | 82.9 | Confident | 101 Ų | 101 | 116.3 Ų | 116.3 | 47% | 0.472 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -72.7 | -40.5 | 170.6 | -172.2 | 161 | -22.5 | 0 | 0 | 112.4 | H1575 Q1576 L1577 E1581 R1582 E1583 | H1575-Q1579 WeakPolarHBondContact O-CB 3.31Å; H1575-Q1579 PolarHBondContact O-N 2.87Å; Q1576-Q1579 PolarHBondContact O-N 2.86Å; L1577-Q1579 VanDerWaalsContact C-N 3.28Å; L1577-Q1579 PolarHBondContact O-N 2.83Å; Q1579-E1581 VanDerWaalsContact C-N 3.32Å; Q1579-E1581 PolarHBondContact O-N 3.16Å; Q1579-R1582 PolarHBondContact O-N 3.04Å; Q1579-E1583 PolarHBondContact O-N 3.22Å |
| 1580 | L | 84.3 | Confident | 83.2 | Confident | 94 Ų | 94 | 114.7 Ų | 114.7 | 49% | 0.492 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.1 | -34.4 | 172.1 | -73.1 | 168.3 | 0 | 0 | 0 | 112.5 | Q1576 L1577 R1584 | Q1576-L1580 WeakPolarHBondContact O-CG 3.45Å; Q1576-L1580 PolarHBondContact O-N 3.37Å; L1577-L1580 WeakPolarHBondContact O-CB 3.41Å; L1577-L1580 PolarHBondContact O-N 3.25Å; L1577-L1580 VanDerWaalsContact O-N 3.17Å; L1580-R1584 WeakPolarHBondContact O-CB 3.23Å; L1580-R1584 WeakPolarHBondContact O-CG 3.3Å; L1580-R1584 PolarHBondContact O-N 3.33Å |
| 1581 | E | 85.3 | Confident | 83.1 | Confident | 110 Ų | 110 | 117.7 Ų | 117.7 | 51% | 0.514 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 171.7 | -72.5 | -166.2 | 147.7 | 0 | 0 | 112.1 | L1577 Q1579 E1583 R1584 F1585 | L1577-E1581 PolarHBondContact O-N 3.32Å; Q1579-E1581 VanDerWaalsContact C-N 3.32Å; Q1579-E1581 PolarHBondContact O-N 3.16Å; E1581-E1583 PolarHBondContact O-N 3.05Å; E1581-R1584 WeakPolarHBondContact O-CB 3.41Å; E1581-R1584 PolarHBondContact O-N 3.04Å; E1581-F1585 WeakPolarHBondContact O-CD2 3.17Å; E1581-F1585 PolarHBondContact O-N 2.65Å |
| 1582 | R | 85.2 | Confident | 83.2 | Confident | 168 Ų | 168 | 116.5 Ų | 116.5 | 63% | 0.634 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.5 | -42.1 | 174.3 | -75 | 172.5 | 178.5 | 177.3 | 2.2 | 112.7 | L1578 Q1579 F1585 K1586 | L1578-R1582 WeakPolarHBondContact O-CG 3.37Å; L1578-R1582 PolarHBondContact O-N 2.88Å; L1578-R1582 VanDerWaalsContact O-N 3.12Å; Q1579-R1582 PolarHBondContact O-N 3.04Å; R1582-F1585 PolarHBondContact O-N 2.95Å; R1582-K1586 PolarHBondContact O-N 3.16Å |
| 1583 | E | 82.6 | Confident | 83.2 | Confident | 107 Ų | 107 | 114.1 Ų | 114.1 | 50% | 0.5 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 175.3 | -72 | -179.7 | -179.6 | 0 | 0 | 111.8 | Q1579 E1581 K1586 I1587 | Q1579-E1583 PolarHBondContact O-N 3.22Å; E1581-E1583 PolarHBondContact O-N 3.05Å; E1583-K1586 PolarHBondContact O-N 2.95Å; E1583-I1587 WeakPolarHBondContact O-CG1 3.36Å; E1583-I1587 PolarHBondContact O-N 3.07Å; E1583-I1587 VanDerWaalsContact O-N 3.12Å |
| 1584 | R | 81 | Confident | 83.1 | Confident | 192 Ų | 192 | 112.4 Ų | 112.4 | 73% | 0.725 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.6 | -45.7 | 172.3 | -81.1 | 177.7 | 153.1 | -150 | -7.1 | 112.8 | L1580 E1581 K1586 I1587 V1588 | L1580-R1584 WeakPolarHBondContact O-CB 3.23Å; L1580-R1584 WeakPolarHBondContact O-CG 3.3Å; L1580-R1584 PolarHBondContact O-N 3.33Å; E1581-R1584 WeakPolarHBondContact O-CB 3.41Å; E1581-R1584 PolarHBondContact O-N 3.04Å; R1584-K1586 PolarHBondContact O-N 3.49Å; R1584-I1587 PolarHBondContact O-N 3.24Å; R1584-V1588 WeakPolarHBondContact O-CG2 3.09Å; R1584-V1588 PolarHBondContact O-N 2.95Å |
| 1585 | F | 81.8 | Confident | 82.9 | Confident | 142 Ų | 142 | 113.1 Ų | 113.1 | 62% | 0.623 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.3 | -44.4 | 176.8 | -94.8 | -75.9 | 0 | 0 | 0 | 111.6 | E1581 R1582 I1587 V1588 E1589 | E1581-F1585 WeakPolarHBondContact O-CD2 3.17Å; E1581-F1585 PolarHBondContact O-N 2.65Å; R1582-F1585 PolarHBondContact O-N 2.95Å; F1585-I1587 VanDerWaalsContact C-N 3.34Å; F1585-I1587 PolarHBondContact O-N 2.96Å; F1585-V1588 WeakPolarHBondContact O-CB 3.3Å; F1585-V1588 PolarHBondContact O-N 3.38Å; F1585-E1589 PolarHBondContact O-N 3.01Å |
| 1586 | K | 83.4 | Confident | 82.8 | Confident | 142 Ų | 142 | 114.1 Ų | 114.1 | 62% | 0.617 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -58.5 | -42.9 | 176.5 | -171.7 | -176.9 | 176.2 | -170.4 | 0 | 112.6 | R1582 E1583 R1584 V1588 E1589 E1590 | R1582-K1586 PolarHBondContact O-N 3.16Å; E1583-K1586 PolarHBondContact O-N 2.95Å; R1584-K1586 PolarHBondContact O-N 3.49Å; K1586-V1588 VanDerWaalsContact C-N 3.3Å; K1586-V1588 PolarHBondContact O-N 3.22Å; K1586-E1589 PolarHBondContact O-N 3.03Å; K1586-E1590 WeakPolarHBondContact O-CB 3.2Å; K1586-E1590 PolarHBondContact O-N 3.25Å |
| 1587 | I | 80.9 | Confident | 82.8 | Confident | 93 Ų | 93 | 115 Ų | 115 | 48% | 0.477 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.3 | -32.5 | 176.9 | -67.3 | 165.9 | 0 | 0 | 0 | 111.5 | E1583 R1584 F1585 K1591 | E1583-I1587 WeakPolarHBondContact O-CG1 3.36Å; E1583-I1587 PolarHBondContact O-N 3.07Å; E1583-I1587 VanDerWaalsContact O-N 3.12Å; R1584-I1587 PolarHBondContact O-N 3.24Å; F1585-I1587 VanDerWaalsContact C-N 3.34Å; F1585-I1587 PolarHBondContact O-N 2.96Å; I1587-K1591 WeakPolarHBondContact O-CB 3.11Å; I1587-K1591 WeakPolarHBondContact O-CG 3.24Å; I1587-K1591 PolarHBondContact O-N 3.06Å; I1587-K1591 VanDerWaalsContact O-N 3.11Å |
| 1588 | V | 83.6 | Confident | 82.4 | Confident | 95 Ų | 95 | 115.1 Ų | 115.1 | 58% | 0.576 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -71.3 | -42.1 | 174.9 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | R1584 F1585 K1586 K1591 A1592 | R1584-V1588 WeakPolarHBondContact O-CG2 3.09Å; R1584-V1588 PolarHBondContact O-N 2.95Å; F1585-V1588 WeakPolarHBondContact O-CB 3.3Å; F1585-V1588 PolarHBondContact O-N 3.38Å; K1586-V1588 VanDerWaalsContact C-N 3.3Å; K1586-V1588 PolarHBondContact O-N 3.22Å; V1588-K1591 PolarHBondContact O-N 2.83Å; V1588-A1592 WeakPolarHBondContact O-CB 3.4Å; V1588-A1592 PolarHBondContact O-N 2.84Å |
| 1589 | E | 79.4 | Confident | 82.3 | Confident | 137 Ų | 137 | 114.7 Ų | 114.7 | 64% | 0.64 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.2 | -44.5 | 174.7 | -70.7 | -177.6 | 145.7 | 0 | 0 | 112 | F1585 K1586 K1591 A1592 A1593 | F1585-E1589 PolarHBondContact O-N 3.01Å; K1586-E1589 PolarHBondContact O-N 3.03Å; E1589-K1591 PolarHBondContact O-N 2.88Å; E1589-A1592 PolarHBondContact O-N 3.38Å; E1589-A1593 PolarHBondContact O-N 2.57Å |
| 1590 | E | 81.6 | Confident | 82.1 | Confident | 128 Ų | 128 | 113.3 Ų | 113.3 | 60% | 0.598 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62 | -41.7 | 177.8 | -172.3 | 165.5 | -159.8 | 0 | 0 | 111.7 | K1586 Q1594 | K1586-E1590 WeakPolarHBondContact O-CB 3.2Å; K1586-E1590 PolarHBondContact O-N 3.25Å; E1590-Q1594 PolarHBondContact O-N 2.84Å |
| 1591 | K | 80.8 | Confident | 82 | Confident | 133 Ų | 133 | 113.5 Ų | 113.5 | 58% | 0.578 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.3 | -33.7 | 173.4 | -75 | -172.3 | 175.3 | -166.5 | 0 | 113.7 | I1587 V1588 E1589 Q1594 L1595 | I1587-K1591 WeakPolarHBondContact O-CB 3.11Å; I1587-K1591 WeakPolarHBondContact O-CG 3.24Å; I1587-K1591 PolarHBondContact O-N 3.06Å; I1587-K1591 VanDerWaalsContact O-N 3.11Å; V1588-K1591 PolarHBondContact O-N 2.83Å; E1589-K1591 PolarHBondContact O-N 2.88Å; K1591-Q1594 PolarHBondContact O-N 3.29Å; K1591-L1595 WeakPolarHBondContact O-CB 3.38Å; K1591-L1595 WeakPolarHBondContact O-CG 3.45Å; K1591-L1595 PolarHBondContact O-N 2.8Å |
| 1592 | A | 81.3 | Confident | 81.8 | Confident | 55 Ų | 55 | 113.4 Ų | 113.4 | 46% | 0.455 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.7 | -44.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1588 E1589 Q1594 L1595 E1596 | V1588-A1592 WeakPolarHBondContact O-CB 3.4Å; V1588-A1592 PolarHBondContact O-N 2.84Å; E1589-A1592 PolarHBondContact O-N 3.38Å; A1592-Q1594 VanDerWaalsContact C-N 3.35Å; A1592-Q1594 PolarHBondContact O-N 3.43Å; A1592-L1595 PolarHBondContact O-N 2.84Å; A1592-E1596 WeakPolarHBondContact O-CB 3.2Å; A1592-E1596 PolarHBondContact O-N 2.96Å |
| 1593 | A | 80.9 | Confident | 81.5 | Confident | 57 Ų | 57 | 110.1 Ų | 110.1 | 47% | 0.471 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.3 | -37.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1589 K1597 | E1589-A1593 PolarHBondContact O-N 2.57Å; A1593-K1597 WeakPolarHBondContact O-CB 3.4Å; A1593-K1597 PolarHBondContact O-N 3.06Å |
| 1594 | Q | 81.2 | Confident | 81.6 | Confident | 111 Ų | 111 | 111.5 Ų | 111.5 | 52% | 0.519 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.9 | -46 | 172.5 | -179.3 | 169.2 | -10.2 | 0 | 0 | 111.8 | E1590 K1591 A1592 E1596 K1597 E1598 | E1590-Q1594 PolarHBondContact O-N 2.84Å; K1591-Q1594 PolarHBondContact O-N 3.29Å; A1592-Q1594 VanDerWaalsContact C-N 3.35Å; A1592-Q1594 PolarHBondContact O-N 3.43Å; Q1594-E1596 VanDerWaalsContact C-N 3.33Å; Q1594-E1596 PolarHBondContact O-N 2.79Å; Q1594-K1597 WeakPolarHBondContact O-CB 3.28Å; Q1594-K1597 PolarHBondContact O-N 2.83Å; Q1594-E1598 HydrophobicContact CG-CG 4.44Å; Q1594-E1598 VanDerWaalsContact CG-OE1 3.27Å; Q1594-E1598 WeakPolarHBondContact CG-OE1 3.26Å; Q1594-E1598 PolarHBondContact NE2-OE1 3.19Å; Q1594-E1598 WeakPolarHBondContact O-CG 3.29Å; Q1594-E1598 PolarHBondContact O-N 3.12Å |
| 1595 | L | 80.4 | Confident | 81.5 | Confident | 104 Ų | 104 | 106.9 Ų | 106.9 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.6 | -35.7 | 176.4 | -76.5 | 169.4 | 0 | 0 | 0 | 112.6 | K1591 A1592 E1598 T1599 | K1591-L1595 WeakPolarHBondContact O-CB 3.38Å; K1591-L1595 WeakPolarHBondContact O-CG 3.45Å; K1591-L1595 PolarHBondContact O-N 2.8Å; A1592-L1595 PolarHBondContact O-N 2.84Å; L1595-E1598 PolarHBondContact O-N 3.37Å; L1595-T1599 WeakPolarHBondContact O-CB 3.43Å; L1595-T1599 PolarHBondContact O-N 2.68Å; L1595-T1599 PolarHBondContact O-OG1 3Å |
| 1596 | E | 82.2 | Confident | 81.5 | Confident | 140 Ų | 140 | 104 Ų | 104 | 65% | 0.654 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.5 | -40.6 | 174.1 | -174.5 | 173.5 | -162.1 | 0 | 0 | 111.4 | A1592 Q1594 S1600 | A1592-E1596 WeakPolarHBondContact O-CB 3.2Å; A1592-E1596 PolarHBondContact O-N 2.96Å; Q1594-E1596 VanDerWaalsContact C-N 3.33Å; Q1594-E1596 PolarHBondContact O-N 2.79Å; E1596-S1600 VanDerWaalsContact O-CB 3.27Å; E1596-S1600 WeakPolarHBondContact O-CB 3.33Å; E1596-S1600 PolarHBondContact O-N 2.85Å; E1596-S1600 PolarHBondContact O-OG 3.12Å |
| 1597 | K | 84.3 | Confident | 81.4 | Confident | 148 Ų | 148 | 98.5 Ų | 98.5 | 64% | 0.643 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.9 | -45 | 174.5 | -174.8 | -177.9 | 178.1 | -174.4 | 0 | 112.2 | A1593 Q1594 S1600 M1601 | A1593-K1597 WeakPolarHBondContact O-CB 3.4Å; A1593-K1597 PolarHBondContact O-N 3.06Å; Q1594-K1597 WeakPolarHBondContact O-CB 3.28Å; Q1594-K1597 PolarHBondContact O-N 2.83Å; K1597-S1600 PolarHBondContact O-N 2.93Å; K1597-M1601 WeakPolarHBondContact O-CB 3.48Å; K1597-M1601 PolarHBondContact O-N 3.27Å |
| 1598 | E | 79.4 | Confident | 81.4 | Confident | 79 Ų | 79 | 98.4 Ų | 98.4 | 37% | 0.369 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -43.2 | 177.1 | -72.8 | 170.7 | -171.7 | 0 | 0 | 111.4 | Q1594 L1595 S1600 M1601 L1602 | Q1594-E1598 HydrophobicContact CG-CG 4.44Å; Q1594-E1598 VanDerWaalsContact CG-OE1 3.27Å; Q1594-E1598 WeakPolarHBondContact CG-OE1 3.26Å; Q1594-E1598 PolarHBondContact NE2-OE1 3.19Å; Q1594-E1598 WeakPolarHBondContact O-CG 3.29Å; Q1594-E1598 PolarHBondContact O-N 3.12Å; L1595-E1598 PolarHBondContact O-N 3.37Å; E1598-S1600 VanDerWaalsContact C-N 3.31Å; E1598-S1600 PolarHBondContact O-N 2.82Å; E1598-M1601 WeakPolarHBondContact O-CB 3.12Å; E1598-M1601 PolarHBondContact O-N 3.24Å; E1598-L1602 WeakPolarHBondContact O-CB 3.38Å; E1598-L1602 WeakPolarHBondContact O-CG 3.41Å; E1598-L1602 PolarHBondContact O-N 3.04Å |
| 1599 | T | 83.2 | Confident | 81.1 | Confident | 73 Ų | 73 | 99.1 Ų | 99.1 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -36 | 175.1 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | L1595 N1603 | L1595-T1599 WeakPolarHBondContact O-CB 3.43Å; L1595-T1599 PolarHBondContact O-N 2.68Å; L1595-T1599 PolarHBondContact O-OG1 3Å; T1599-N1603 WeakPolarHBondContact O-CB 3.43Å; T1599-N1603 PolarHBondContact O-N 3.44Å; T1599-N1603 PolarHBondContact O-ND2 2.67Å |
| 1600 | S | 80.4 | Confident | 81 | Confident | 71 Ų | 71 | 100.2 Ų | 100.2 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 174.4 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | E1596 K1597 E1598 N1603 F1604 | E1596-S1600 VanDerWaalsContact O-CB 3.27Å; E1596-S1600 WeakPolarHBondContact O-CB 3.33Å; E1596-S1600 PolarHBondContact O-N 2.85Å; E1596-S1600 PolarHBondContact O-OG 3.12Å; K1597-S1600 PolarHBondContact O-N 2.93Å; E1598-S1600 VanDerWaalsContact C-N 3.31Å; E1598-S1600 PolarHBondContact O-N 2.82Å; S1600-N1603 PolarHBondContact O-N 2.82Å; S1600-F1604 PolarHBondContact O-N 3.36Å |
| 1601 | M | 82.5 | Confident | 80.5 | Confident | 98 Ų | 98 | 100.2 Ų | 100.2 | 48% | 0.483 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -49.4 | 175.1 | -165 | -174.2 | -47.5 | 0 | 0 | 111.2 | K1597 E1598 N1603 F1604 E1605 | K1597-M1601 WeakPolarHBondContact O-CB 3.48Å; K1597-M1601 PolarHBondContact O-N 3.27Å; E1598-M1601 WeakPolarHBondContact O-CB 3.12Å; E1598-M1601 PolarHBondContact O-N 3.24Å; M1601-N1603 VanDerWaalsContact C-N 3.33Å; M1601-N1603 PolarHBondContact O-N 3.34Å; M1601-F1604 WeakPolarHBondContact O-CB 3.3Å; M1601-F1604 PolarHBondContact O-N 3.19Å; M1601-F1604 VanDerWaalsContact O-N 3.08Å; M1601-E1605 WeakPolarHBondContact O-CG 3.31Å; M1601-E1605 PolarHBondContact O-N 3.15Å |
| 1602 | L | 80.8 | Confident | 80.5 | Confident | 109 Ų | 109 | 100 Ų | 100 | 57% | 0.571 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.3 | -39.5 | 176.5 | -72.3 | 169.1 | 0 | 0 | 0 | 112.2 | E1598 E1605 L1606 | E1598-L1602 WeakPolarHBondContact O-CB 3.38Å; E1598-L1602 WeakPolarHBondContact O-CG 3.41Å; E1598-L1602 PolarHBondContact O-N 3.04Å; L1602-E1605 PolarHBondContact O-N 2.76Å; L1602-L1606 WeakPolarHBondContact O-CB 3.38Å; L1602-L1606 PolarHBondContact O-N 3.08Å |
| 1603 | N | 79.9 | Confident | 80.5 | Confident | 99 Ų | 99 | 98.4 Ų | 98.4 | 53% | 0.529 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.3 | -35.6 | 174.3 | -82.4 | -56 | 0 | 0 | 0 | 112.7 | T1599 S1600 M1601 G1607 | T1599-N1603 WeakPolarHBondContact O-CB 3.43Å; T1599-N1603 PolarHBondContact O-N 3.44Å; T1599-N1603 PolarHBondContact O-ND2 2.67Å; S1600-N1603 PolarHBondContact O-N 2.82Å; M1601-N1603 VanDerWaalsContact C-N 3.33Å; M1601-N1603 PolarHBondContact O-N 3.34Å; N1603-G1607 PolarHBondContact O-N 3.41Å |
| 1604 | F | 83.7 | Confident | 80.4 | Confident | 136 Ų | 136 | 99 Ų | 99 | 60% | 0.596 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.4 | -46.2 | 173.9 | 177.5 | -94.4 | 0 | 0 | 0 | 111.7 | S1600 M1601 G1607 M1608 | S1600-F1604 PolarHBondContact O-N 3.36Å; M1601-F1604 WeakPolarHBondContact O-CB 3.3Å; M1601-F1604 PolarHBondContact O-N 3.19Å; M1601-F1604 VanDerWaalsContact O-N 3.08Å; F1604-G1607 CarbonylContact O-C 3.58Å; F1604-G1607 PolarHBondContact O-N 2.93Å; F1604-M1608 HydrophobicContact CD1-CG 4.35Å; F1604-M1608 HydrophobicContact CE1-CG 3.99Å; F1604-M1608 HydrophobicContact CZ-CG 4.23Å; F1604-M1608 WeakPolarHBondContact O-CG 3.4Å; F1604-M1608 PolarHBondContact O-N 3.35Å |
| 1605 | E | 80.7 | Confident | 79.9 | Confident | 95 Ų | 95 | 97.2 Ų | 97.2 | 44% | 0.444 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 175.3 | -71.1 | -179.5 | 168.6 | 0 | 0 | 112 | M1601 L1602 G1607 M1608 L1609 | M1601-E1605 WeakPolarHBondContact O-CG 3.31Å; M1601-E1605 PolarHBondContact O-N 3.15Å; L1602-E1605 PolarHBondContact O-N 2.76Å; E1605-G1607 VanDerWaalsContact C-N 3.27Å; E1605-G1607 PolarHBondContact O-N 2.96Å; E1605-M1608 CarbonylContact O-C 3.59Å; E1605-M1608 WeakPolarHBondContact O-CA 3.28Å; E1605-M1608 WeakPolarHBondContact O-CB 3.33Å; E1605-M1608 PolarHBondContact O-N 3.49Å; E1605-L1609 WeakPolarHBondContact O-CG 3.22Å; E1605-L1609 PolarHBondContact O-N 3.27Å |
| 1606 | L | 79.9 | Confident | 79.8 | Confident | 82 Ų | 82 | 94.4 Ų | 94.4 | 43% | 0.429 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.2 | -39.2 | 175.5 | -160.7 | 71.5 | 0 | 0 | 0 | 111.4 | L1602 L1609 Y1610 | L1602-L1606 WeakPolarHBondContact O-CB 3.38Å; L1602-L1606 PolarHBondContact O-N 3.08Å; L1606-L1609 PolarHBondContact O-N 3.05Å; L1606-Y1610 WeakPolarHBondContact O-CB 3.31Å; L1606-Y1610 PolarHBondContact O-N 3.25Å |
| 1607 | G | 83.1 | Confident | 79.8 | Confident | 25 Ų | 25 | 93.6 Ų | 93.6 | 26% | 0.258 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.9 | -35 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1603 F1604 E1605 R1611 | N1603-G1607 PolarHBondContact O-N 3.41Å; F1604-G1607 CarbonylContact O-C 3.58Å; F1604-G1607 PolarHBondContact O-N 2.93Å; E1605-G1607 VanDerWaalsContact C-N 3.27Å; E1605-G1607 PolarHBondContact O-N 2.96Å; G1607-R1611 WeakPolarHBondContact O-CB 3.47Å; G1607-R1611 VanDerWaalsContact O-CG 3.26Å; G1607-R1611 WeakPolarHBondContact O-CG 3.18Å; G1607-R1611 PolarHBondContact O-N 3.42Å; G1607-R1611 PolarHBondContact O-NE 3.46Å |
| 1608 | M | 79.2 | Confident | 79.5 | Confident | 91 Ų | 91 | 91 Ų | 91 | 45% | 0.448 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.9 | -44.4 | 172.8 | -73 | -64.4 | -80.3 | 0 | 0 | 111.9 | F1604 E1605 R1611 R1612 | F1604-M1608 HydrophobicContact CD1-CG 4.35Å; F1604-M1608 HydrophobicContact CE1-CG 3.99Å; F1604-M1608 HydrophobicContact CZ-CG 4.23Å; F1604-M1608 WeakPolarHBondContact O-CG 3.4Å; F1604-M1608 PolarHBondContact O-N 3.35Å; E1605-M1608 CarbonylContact O-C 3.59Å; E1605-M1608 WeakPolarHBondContact O-CA 3.28Å; E1605-M1608 WeakPolarHBondContact O-CB 3.33Å; E1605-M1608 PolarHBondContact O-N 3.49Å; M1608-R1611 CarbonylContact O-C 3.59Å; M1608-R1611 PolarHBondContact O-N 3.44Å; M1608-R1611 PolarHBondContact SD-NH2 3.38Å; M1608-R1611 VanDerWaalsContact SD-NH2 3.38Å; M1608-R1612 PolarHBondContact O-N 2.78Å |
| 1609 | L | 77.4 | Confident | 79.6 | Confident | 111 Ų | 111 | 92.5 Ų | 92.5 | 58% | 0.581 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.2 | -46.6 | 176.5 | -71.9 | 171.7 | 0 | 0 | 0 | 112 | E1605 L1606 R1611 R1612 Q1613 | E1605-L1609 WeakPolarHBondContact O-CG 3.22Å; E1605-L1609 PolarHBondContact O-N 3.27Å; L1606-L1609 PolarHBondContact O-N 3.05Å; L1609-R1611 VanDerWaalsContact C-N 3.28Å; L1609-R1611 PolarHBondContact O-N 3.07Å; L1609-R1612 WeakPolarHBondContact O-CA 3.41Å; L1609-R1612 WeakPolarHBondContact O-CB 3.25Å; L1609-R1612 PolarHBondContact O-N 3.44Å; L1609-Q1613 PolarHBondContact O-N 3.32Å |
| 1610 | Y | 78.2 | Confident | 79.6 | Confident | 160 Ų | 160 | 92.2 Ų | 92.2 | 63% | 0.627 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.2 | -36.6 | 176.1 | -165.1 | -102.6 | 0 | 0 | 0 | 112 | L1606 R1612 S1614 | L1606-Y1610 WeakPolarHBondContact O-CB 3.31Å; L1606-Y1610 PolarHBondContact O-N 3.25Å; Y1610-R1612 VanDerWaalsContact C-N 3.31Å; Y1610-R1612 PolarHBondContact O-N 3.09Å; Y1610-S1614 VanDerWaalsContact O-CB 3.24Å; Y1610-S1614 WeakPolarHBondContact O-CB 3.2Å; Y1610-S1614 PolarHBondContact O-N 2.74Å |
| 1611 | R | 70.5 | Confident | 79.9 | Confident | 127 Ų | 127 | 95.2 Ų | 95.2 | 48% | 0.479 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70.9 | -21.6 | 172 | -74.8 | 176.5 | -68.7 | -161.3 | 1.8 | 113.2 | G1607 M1608 L1609 R1615 | G1607-R1611 WeakPolarHBondContact O-CB 3.47Å; G1607-R1611 VanDerWaalsContact O-CG 3.26Å; G1607-R1611 WeakPolarHBondContact O-CG 3.18Å; G1607-R1611 PolarHBondContact O-N 3.42Å; G1607-R1611 PolarHBondContact O-NE 3.46Å; M1608-R1611 CarbonylContact O-C 3.59Å; M1608-R1611 PolarHBondContact O-N 3.44Å; M1608-R1611 PolarHBondContact SD-NH2 3.38Å; M1608-R1611 VanDerWaalsContact SD-NH2 3.38Å; L1609-R1611 VanDerWaalsContact C-N 3.28Å; L1609-R1611 PolarHBondContact O-N 3.07Å; R1611-R1615 PolarHBondContact O-NE 2.92Å; R1611-R1615 PolarHBondContact O-NH2 2.74Å |
| 1612 | R | 81.2 | Confident | 79.9 | Confident | 129 Ų | 129 | 94.2 Ų | 94.2 | 49% | 0.487 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -79.5 | -54.4 | 172.2 | 177.7 | 174.8 | 172.9 | 160.5 | 1.3 | 110.8 | M1608 L1609 Y1610 S1614 R1615 E1616 | M1608-R1612 PolarHBondContact O-N 2.78Å; L1609-R1612 WeakPolarHBondContact O-CA 3.41Å; L1609-R1612 WeakPolarHBondContact O-CB 3.25Å; L1609-R1612 PolarHBondContact O-N 3.44Å; Y1610-R1612 VanDerWaalsContact C-N 3.31Å; Y1610-R1612 PolarHBondContact O-N 3.09Å; R1612-S1614 VanDerWaalsContact C-N 3.27Å; R1612-S1614 PolarHBondContact O-N 3.43Å; R1612-R1615 WeakPolarHBondContact O-CA 3.22Å; R1612-R1615 WeakPolarHBondContact O-CB 3.47Å; R1612-R1615 PolarHBondContact O-N 3.41Å; R1612-E1616 WeakPolarHBondContact CG-OE1 3.4Å; R1612-E1616 IonicContact CZ-OE1 3.57Å; R1612-E1616 IonicContact NE-OE1 3.97Å; R1612-E1616 PolarHBondContact NE-OE1 2.93Å; R1612-E1616 IonicContact NH2-OE1 3.48Å; R1612-E1616 PolarHBondContact NH2-OE1 3.29Å; R1612-E1616 PolarHBondContact O-N 2.65Å |
| 1613 | Q | 81.1 | Confident | 80.1 | Confident | 22 Ų | 22 | 94.2 Ų | 94.2 | 10% | 0.103 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -55.2 | -40.1 | 177.9 | -173.4 | -173.4 | 48.5 | 0 | 0 | 112.6 | D795 N798 L1609 R1615 E1616 R1617 | D795-Q1613 PolarHBondContact OD1-NE2 3.23Å; N798-Q1613 HydrophobicContact CB-CG 4.49Å; N798-Q1613 PolarHBondContact OD1-NE2 2.9Å; L1609-Q1613 PolarHBondContact O-N 3.32Å; Q1613-R1615 VanDerWaalsContact C-N 3.34Å; Q1613-R1615 PolarHBondContact O-N 3.28Å; Q1613-E1616 PolarHBondContact O-N 2.85Å; Q1613-R1617 WeakPolarHBondContact O-CG 3.47Å; Q1613-R1617 PolarHBondContact O-N 2.97Å |
| 1614 | S | 78.3 | Confident | 80.3 | Confident | 68 Ų | 68 | 93.6 Ų | 93.6 | 48% | 0.476 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 175.3 | -172.9 | 0 | 0 | 0 | 0 | 112.8 | Y1610 R1612 E1618 | Y1610-S1614 VanDerWaalsContact O-CB 3.24Å; Y1610-S1614 WeakPolarHBondContact O-CB 3.2Å; Y1610-S1614 PolarHBondContact O-N 2.74Å; R1612-S1614 VanDerWaalsContact C-N 3.27Å; R1612-S1614 PolarHBondContact O-N 3.43Å; S1614-E1618 PolarHBondContact O-N 2.71Å; S1614-E1618 VanDerWaalsContact O-N 3.08Å |
| 1615 | R | 72.2 | Confident | 80.4 | Confident | 75 Ų | 75 | 91.1 Ų | 91.1 | 28% | 0.283 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -70 | -40.7 | 173.4 | -80.2 | 176.9 | -80.6 | -177.3 | -3.1 | 112.1 | L1168 R1611 R1612 Q1613 E1618 L1619 | L1168-R1615 VanDerWaalsContact CD2-NH1 3.33Å; R1611-R1615 PolarHBondContact O-NE 2.92Å; R1611-R1615 PolarHBondContact O-NH2 2.74Å; R1612-R1615 WeakPolarHBondContact O-CA 3.22Å; R1612-R1615 WeakPolarHBondContact O-CB 3.47Å; R1612-R1615 PolarHBondContact O-N 3.41Å; Q1613-R1615 VanDerWaalsContact C-N 3.34Å; Q1613-R1615 PolarHBondContact O-N 3.28Å; R1615-E1618 PolarHBondContact O-N 3.26Å; R1615-L1619 WeakPolarHBondContact O-CB 3.43Å; R1615-L1619 WeakPolarHBondContact O-CG 3.39Å; R1615-L1619 PolarHBondContact O-N 3.39Å |
| 1616 | E | 78.2 | Confident | 80.8 | Confident | 44 Ų | 44 | 94 Ų | 94 | 21% | 0.206 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 177.1 | -72.2 | 161.6 | 168.3 | 0 | 0 | 111.1 | R1612 Q1613 L1619 L1620 | R1612-E1616 WeakPolarHBondContact CG-OE1 3.4Å; R1612-E1616 IonicContact CZ-OE1 3.57Å; R1612-E1616 IonicContact NE-OE1 3.97Å; R1612-E1616 PolarHBondContact NE-OE1 2.93Å; R1612-E1616 IonicContact NH2-OE1 3.48Å; R1612-E1616 PolarHBondContact NH2-OE1 3.29Å; R1612-E1616 PolarHBondContact O-N 2.65Å; Q1613-E1616 PolarHBondContact O-N 2.85Å; E1616-L1619 PolarHBondContact O-N 3.27Å; E1616-L1620 WeakPolarHBondContact O-CB 3.48Å; E1616-L1620 WeakPolarHBondContact O-CG 3.06Å; E1616-L1620 PolarHBondContact O-N 2.8Å |
| 1617 | R | 82.1 | Confident | 81.1 | Confident | 123 Ų | 123 | 94.1 Ų | 94.1 | 46% | 0.464 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 171.4 | -73 | -178.1 | 180 | -165 | 1 | 113.7 | Q1613 L1620 K1621 | Q1613-R1617 WeakPolarHBondContact O-CG 3.47Å; Q1613-R1617 PolarHBondContact O-N 2.97Å; R1617-L1620 PolarHBondContact O-N 2.93Å; R1617-K1621 WeakPolarHBondContact O-CB 3.25Å; R1617-K1621 PolarHBondContact O-N 3.35Å |
| 1618 | E | 77.8 | Confident | 81.3 | Confident | 93 Ų | 93 | 98.6 Ų | 98.6 | 44% | 0.435 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.7 | -36.2 | 179.3 | -164.8 | 168.4 | -143.1 | 0 | 0 | 111.3 | R1175 S1614 R1615 K1621 T1622 | R1175-E1618 IonicContact CZ-OE2 3.37Å; R1175-E1618 IonicContact NH1-OE2 3.46Å; R1175-E1618 PolarHBondContact NH1-OE2 3.33Å; S1614-E1618 PolarHBondContact O-N 2.71Å; S1614-E1618 VanDerWaalsContact O-N 3.08Å; R1615-E1618 PolarHBondContact O-N 3.26Å; E1618-K1621 PolarHBondContact O-N 3.06Å; E1618-T1622 WeakPolarHBondContact O-CG2 3.3Å; E1618-T1622 PolarHBondContact O-N 3.03Å; E1618-T1622 PolarHBondContact O-OG1 3.41Å |
| 1619 | L | 81.6 | Confident | 81.7 | Confident | 111 Ų | 111 | 100.7 Ų | 100.7 | 58% | 0.581 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -61.7 | -52.7 | 170 | -75.4 | 169.7 | 0 | 0 | 0 | 111.4 | R1615 E1616 K1621 T1622 E1623 | R1615-L1619 WeakPolarHBondContact O-CB 3.43Å; R1615-L1619 WeakPolarHBondContact O-CG 3.39Å; R1615-L1619 PolarHBondContact O-N 3.39Å; E1616-L1619 PolarHBondContact O-N 3.27Å; L1619-K1621 PolarHBondContact O-N 2.97Å; L1619-T1622 CarbonylContact O-C 3.6Å; L1619-T1622 PolarHBondContact O-N 2.76Å; L1619-T1622 PolarHBondContact O-OG1 3.37Å; L1619-E1623 PolarHBondContact O-N 2.91Å |
| 1620 | L | 82 | Confident | 82.3 | Confident | 68 Ų | 68 | 99.8 Ų | 99.8 | 36% | 0.356 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.1 | -33.1 | 177 | -75.4 | 167.8 | 0 | 0 | 0 | 112.5 | E1616 R1617 N1624 | E1616-L1620 WeakPolarHBondContact O-CB 3.48Å; E1616-L1620 WeakPolarHBondContact O-CG 3.06Å; E1616-L1620 PolarHBondContact O-N 2.8Å; R1617-L1620 PolarHBondContact O-N 2.93Å; L1620-N1624 WeakPolarHBondContact O-CB 3.4Å; L1620-N1624 PolarHBondContact O-N 3.02Å; L1620-N1624 PolarHBondContact O-ND2 2.7Å |
| 1621 | K | 86.6 | Confident | 82.8 | Confident | 134 Ų | 134 | 95.9 Ų | 95.9 | 58% | 0.583 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.6 | -49 | 171 | -172 | -175.6 | 176.3 | -166.1 | 0 | 111.4 | R1617 E1618 L1619 E1623 N1624 E1625 | R1617-K1621 WeakPolarHBondContact O-CB 3.25Å; R1617-K1621 PolarHBondContact O-N 3.35Å; E1618-K1621 PolarHBondContact O-N 3.06Å; L1619-K1621 PolarHBondContact O-N 2.97Å; K1621-E1623 VanDerWaalsContact C-N 3.29Å; K1621-E1623 PolarHBondContact O-N 3.31Å; K1621-N1624 PolarHBondContact O-N 3.04Å; K1621-E1625 VanDerWaalsContact CE-OE1 3.22Å; K1621-E1625 WeakPolarHBondContact CE-OE1 3.41Å; K1621-E1625 IonicContact NZ-OE1 3.94Å; K1621-E1625 WeakPolarHBondContact O-CG 3.37Å; K1621-E1625 PolarHBondContact O-N 2.75Å |
| 1622 | T | 83.8 | Confident | 83.7 | Confident | 76 Ų | 76 | 94.1 Ų | 94.1 | 47% | 0.466 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.8 | -30.4 | 178 | 58.8 | 0 | 0 | 0 | 0 | 113.3 | E1618 L1619 R1626 | E1618-T1622 WeakPolarHBondContact O-CG2 3.3Å; E1618-T1622 PolarHBondContact O-N 3.03Å; E1618-T1622 PolarHBondContact O-OG1 3.41Å; L1619-T1622 CarbonylContact O-C 3.6Å; L1619-T1622 PolarHBondContact O-N 2.76Å; L1619-T1622 PolarHBondContact O-OG1 3.37Å; T1622-R1626 WeakPolarHBondContact O-CB 3.2Å; T1622-R1626 PolarHBondContact O-N 3.37Å |
| 1623 | E | 85.4 | Confident | 84.1 | Confident | 109 Ų | 109 | 92.6 Ų | 92.6 | 51% | 0.509 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -75.2 | -40.2 | 175.4 | -173 | 154.8 | -145 | 0 | 0 | 111.4 | L1619 K1621 R1626 L1627 | L1619-E1623 PolarHBondContact O-N 2.91Å; K1621-E1623 VanDerWaalsContact C-N 3.29Å; K1621-E1623 PolarHBondContact O-N 3.31Å; E1623-R1626 CarbonylContact O-C 3.54Å; E1623-R1626 WeakPolarHBondContact O-CB 3.5Å; E1623-R1626 PolarHBondContact O-N 3.34Å; E1623-L1627 HydrophobicContact CG-CD1 4.18Å; E1623-L1627 HydrophobicContact CG-CG 4.43Å; E1623-L1627 WeakPolarHBondContact O-CB 3.4Å; E1623-L1627 VanDerWaalsContact O-CG 3.32Å; E1623-L1627 WeakPolarHBondContact O-CG 3.39Å; E1623-L1627 PolarHBondContact O-N 2.85Å |
| 1624 | N | 83.5 | Confident | 84.4 | Confident | 87 Ų | 87 | 96.6 Ų | 96.6 | 47% | 0.465 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 168.3 | -87.8 | -66.9 | 0 | 0 | 0 | 112.4 | L1620 K1621 R1626 L1627 H1628 | L1620-N1624 WeakPolarHBondContact O-CB 3.4Å; L1620-N1624 PolarHBondContact O-N 3.02Å; L1620-N1624 PolarHBondContact O-ND2 2.7Å; K1621-N1624 PolarHBondContact O-N 3.04Å; N1624-R1626 VanDerWaalsContact C-N 3.26Å; N1624-R1626 PolarHBondContact O-N 3.45Å; N1624-L1627 PolarHBondContact O-N 3.4Å; N1624-H1628 WeakPolarHBondContact O-CB 3.37Å; N1624-H1628 PolarHBondContact O-CD2 3.17Å; N1624-H1628 PolarHBondContact O-N 2.75Å |
| 1625 | E | 86 | Confident | 84.9 | Confident | 84 Ų | 84 | 97 Ų | 97 | 39% | 0.393 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.6 | -33.6 | 174 | -76.2 | -178.7 | -153 | 0 | 0 | 112.3 | K1621 K1629 | K1621-E1625 VanDerWaalsContact CE-OE1 3.22Å; K1621-E1625 WeakPolarHBondContact CE-OE1 3.41Å; K1621-E1625 IonicContact NZ-OE1 3.94Å; K1621-E1625 WeakPolarHBondContact O-CG 3.37Å; K1621-E1625 PolarHBondContact O-N 2.75Å; E1625-K1629 WeakPolarHBondContact O-CB 3.47Å; E1625-K1629 VanDerWaalsContact O-CD 3.29Å; E1625-K1629 WeakPolarHBondContact O-CD 3.19Å; E1625-K1629 WeakPolarHBondContact O-CG 3.49Å; E1625-K1629 PolarHBondContact O-N 2.95Å; E1625-K1629 VanDerWaalsContact O-N 3.13Å |
| 1626 | R | 87.8 | Confident | 85.7 | Confident | 156 Ų | 156 | 97 Ų | 97 | 59% | 0.589 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -70.8 | -46.1 | 172.6 | 171.5 | -179.9 | 163.9 | 153.9 | -6.3 | 111.6 | T1622 E1623 N1624 K1629 Q1630 | T1622-R1626 WeakPolarHBondContact O-CB 3.2Å; T1622-R1626 PolarHBondContact O-N 3.37Å; E1623-R1626 CarbonylContact O-C 3.54Å; E1623-R1626 WeakPolarHBondContact O-CB 3.5Å; E1623-R1626 PolarHBondContact O-N 3.34Å; N1624-R1626 VanDerWaalsContact C-N 3.26Å; N1624-R1626 PolarHBondContact O-N 3.45Å; R1626-K1629 CarbonylContact O-C 3.6Å; R1626-K1629 WeakPolarHBondContact O-CB 2.93Å; R1626-K1629 PolarHBondContact O-N 2.68Å; R1626-K1629 VanDerWaalsContact O-N 3.15Å; R1626-Q1630 HydrophobicContact CG-CG 4.47Å; R1626-Q1630 WeakPolarHBondContact O-CG 3.1Å; R1626-Q1630 PolarHBondContact O-N 2.69Å |
| 1627 | L | 87.1 | Confident | 86.2 | Confident | 84 Ų | 84 | 102.3 Ų | 102.3 | 44% | 0.44 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 179.3 | -73 | 170.8 | 0 | 0 | 0 | 110.8 | E1623 N1624 K1629 Q1630 V1631 | E1623-L1627 HydrophobicContact CG-CD1 4.18Å; E1623-L1627 HydrophobicContact CG-CG 4.43Å; E1623-L1627 WeakPolarHBondContact O-CB 3.4Å; E1623-L1627 VanDerWaalsContact O-CG 3.32Å; E1623-L1627 WeakPolarHBondContact O-CG 3.39Å; E1623-L1627 PolarHBondContact O-N 2.85Å; N1624-L1627 PolarHBondContact O-N 3.4Å; L1627-K1629 VanDerWaalsContact C-N 3.34Å; L1627-K1629 PolarHBondContact O-N 3.04Å; L1627-Q1630 PolarHBondContact O-N 2.72Å; L1627-Q1630 VanDerWaalsContact O-N 3.16Å; L1627-V1631 WeakPolarHBondContact O-CB 3.39Å; L1627-V1631 VanDerWaalsContact O-CG2 3.32Å; L1627-V1631 WeakPolarHBondContact O-CG2 3.42Å; L1627-V1631 PolarHBondContact O-N 3.3Å |
| 1628 | H | 86.7 | Confident | 86.3 | Confident | 118 Ų | 118 | 101.7 Ų | 101.7 | 55% | 0.546 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.5 | -42 | 169.9 | -87.2 | -70.9 | 0 | 0 | 0 | 112.2 | N1624 N1632 | N1624-H1628 WeakPolarHBondContact O-CB 3.37Å; N1624-H1628 PolarHBondContact O-CD2 3.17Å; N1624-H1628 PolarHBondContact O-N 2.75Å; H1628-N1632 WeakPolarHBondContact O-CB 3.2Å; H1628-N1632 PolarHBondContact O-N 3.32Å; H1628-N1632 PolarHBondContact O-OD1 2.68Å |
| 1629 | K | 88.7 | Confident | 86.7 | Confident | 135 Ų | 135 | 103 Ų | 103 | 59% | 0.587 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63 | -41.2 | 173.9 | -75.7 | 162.5 | -172.9 | 154.6 | 0 | 112.1 | E1625 R1626 L1627 E1633 | E1625-K1629 WeakPolarHBondContact O-CB 3.47Å; E1625-K1629 VanDerWaalsContact O-CD 3.29Å; E1625-K1629 WeakPolarHBondContact O-CD 3.19Å; E1625-K1629 WeakPolarHBondContact O-CG 3.49Å; E1625-K1629 PolarHBondContact O-N 2.95Å; E1625-K1629 VanDerWaalsContact O-N 3.13Å; R1626-K1629 CarbonylContact O-C 3.6Å; R1626-K1629 WeakPolarHBondContact O-CB 2.93Å; R1626-K1629 PolarHBondContact O-N 2.68Å; R1626-K1629 VanDerWaalsContact O-N 3.15Å; L1627-K1629 VanDerWaalsContact C-N 3.34Å; L1627-K1629 PolarHBondContact O-N 3.04Å; K1629-E1633 WeakPolarHBondContact O-CB 3.28Å; K1629-E1633 PolarHBondContact O-N 3.05Å |
| 1630 | Q | 88.7 | Confident | 86.8 | Confident | 92 Ų | 92 | 103 Ų | 103 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.4 | -39.8 | 178.1 | -68.6 | -172.2 | -81 | 0 | 0 | 112.6 | R1626 L1627 E1633 L1634 | R1626-Q1630 HydrophobicContact CG-CG 4.47Å; R1626-Q1630 WeakPolarHBondContact O-CG 3.1Å; R1626-Q1630 PolarHBondContact O-N 2.69Å; L1627-Q1630 PolarHBondContact O-N 2.72Å; L1627-Q1630 VanDerWaalsContact O-N 3.16Å; Q1630-E1633 PolarHBondContact O-N 3.07Å; Q1630-L1634 WeakPolarHBondContact O-CB 3.46Å; Q1630-L1634 PolarHBondContact O-N 2.73Å |
| 1631 | V | 88.9 | Confident | 86.9 | Confident | 78 Ų | 78 | 102.4 Ų | 102.4 | 47% | 0.473 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 173.8 | 168.2 | 0 | 0 | 0 | 0 | 110.2 | L1627 E1633 L1634 I1635 | L1627-V1631 WeakPolarHBondContact O-CB 3.39Å; L1627-V1631 VanDerWaalsContact O-CG2 3.32Å; L1627-V1631 WeakPolarHBondContact O-CG2 3.42Å; L1627-V1631 PolarHBondContact O-N 3.3Å; V1631-E1633 VanDerWaalsContact C-N 3.35Å; V1631-E1633 PolarHBondContact O-N 3.29Å; V1631-L1634 CarbonylContact O-C 3.55Å; V1631-L1634 PolarHBondContact O-N 2.73Å; V1631-L1634 VanDerWaalsContact O-N 3.11Å; V1631-I1635 HydrophobicContact CG1-CD1 3.88Å; V1631-I1635 HydrophobicContact CG1-CG1 4.49Å; V1631-I1635 WeakPolarHBondContact O-CG1 3.4Å; V1631-I1635 PolarHBondContact O-N 3.39Å |
| 1632 | N | 89 | Confident | 86.6 | Confident | 90 Ų | 90 | 99 Ų | 99 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 176 | -69.8 | 2.9 | 0 | 0 | 0 | 111.1 | H1628 L1634 I1635 D1636 | H1628-N1632 WeakPolarHBondContact O-CB 3.2Å; H1628-N1632 PolarHBondContact O-N 3.32Å; H1628-N1632 PolarHBondContact O-OD1 2.68Å; N1632-L1634 VanDerWaalsContact C-N 3.28Å; N1632-L1634 PolarHBondContact O-N 3.37Å; N1632-I1635 PolarHBondContact O-N 3.36Å; N1632-D1636 WeakPolarHBondContact O-CB 2.9Å; N1632-D1636 PolarHBondContact O-N 2.85Å |
| 1633 | E | 90 | Very high | 86.4 | Confident | 98 Ų | 98 | 100.6 Ų | 100.6 | 46% | 0.458 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -32.5 | 174.5 | -157 | -163.7 | 155.6 | 0 | 0 | 112.4 | K1629 Q1630 V1631 D1636 R1637 | K1629-E1633 WeakPolarHBondContact O-CB 3.28Å; K1629-E1633 PolarHBondContact O-N 3.05Å; Q1630-E1633 PolarHBondContact O-N 3.07Å; V1631-E1633 VanDerWaalsContact C-N 3.35Å; V1631-E1633 PolarHBondContact O-N 3.29Å; E1633-D1636 WeakPolarHBondContact O-CB 2.97Å; E1633-R1637 WeakPolarHBondContact O-CB 3.37Å; E1633-R1637 WeakPolarHBondContact O-CD 3.24Å; E1633-R1637 WeakPolarHBondContact O-CG 3.42Å; E1633-R1637 PolarHBondContact O-N 3.2Å; E1633-R1637 IonicContact OE1-CZ 3.58Å; E1633-R1637 VanDerWaalsContact OE1-CZ 3.28Å; E1633-R1637 IonicContact OE1-NE 2.69Å; E1633-R1637 PolarHBondContact OE1-NE 3.3Å; E1633-R1637 VanDerWaalsContact OE1-NE 3.14Å; E1633-R1637 IonicContact OE1-NH2 3.81Å; E1633-R1637 PolarHBondContact OE1-NH2 3.17Å; E1633-R1637 IonicContact OE2-NH2 3.33Å |
| 1634 | L | 87.2 | Confident | 85.7 | Confident | 106 Ų | 106 | 103.3 Ų | 103.3 | 56% | 0.555 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -74.3 | -38.5 | 176.6 | -153 | 157.9 | 0 | 0 | 0 | 111.3 | Q1630 V1631 N1632 R1637 L1638 | Q1630-L1634 WeakPolarHBondContact O-CB 3.46Å; Q1630-L1634 PolarHBondContact O-N 2.73Å; V1631-L1634 CarbonylContact O-C 3.55Å; V1631-L1634 PolarHBondContact O-N 2.73Å; V1631-L1634 VanDerWaalsContact O-N 3.11Å; N1632-L1634 VanDerWaalsContact C-N 3.28Å; N1632-L1634 PolarHBondContact O-N 3.37Å; L1634-R1637 PolarHBondContact O-N 3Å; L1634-L1638 HydrophobicContact CD2-CD1 3.67Å; L1634-L1638 HydrophobicContact CD2-CG 4.1Å; L1634-L1638 WeakPolarHBondContact O-CB 3.21Å; L1634-L1638 WeakPolarHBondContact O-CG 3.4Å; L1634-L1638 PolarHBondContact O-N 3.31Å |
| 1635 | I | 89.4 | Confident | 84.3 | Confident | 77 Ų | 77 | 109.2 Ų | 109.2 | 40% | 0.395 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.1 | -50.3 | 168.4 | -67.9 | 165.7 | 0 | 0 | 0 | 109.7 | V1631 N1632 R1637 L1638 E1639 | V1631-I1635 HydrophobicContact CG1-CD1 3.88Å; V1631-I1635 HydrophobicContact CG1-CG1 4.49Å; V1631-I1635 WeakPolarHBondContact O-CG1 3.4Å; V1631-I1635 PolarHBondContact O-N 3.39Å; N1632-I1635 PolarHBondContact O-N 3.36Å; I1635-R1637 VanDerWaalsContact C-N 3.26Å; I1635-R1637 PolarHBondContact O-N 2.68Å; I1635-L1638 CarbonylContact O-C 3.59Å; I1635-L1638 WeakPolarHBondContact O-CA 3.46Å; I1635-L1638 WeakPolarHBondContact O-CB 3.05Å; I1635-L1638 PolarHBondContact O-N 2.73Å; I1635-E1639 HydrophobicContact CG2-CG 4.29Å; I1635-E1639 PolarHBondContact O-N 3.38Å |
| 1636 | D | 89 | Confident | 82.5 | Confident | 73 Ų | 73 | 109.4 Ų | 109.4 | 39% | 0.39 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -51.5 | -44.4 | 175.1 | -122.5 | 54.4 | 0 | 0 | 0 | 111.9 | N1632 E1633 K1640 | N1632-D1636 WeakPolarHBondContact O-CB 2.9Å; N1632-D1636 PolarHBondContact O-N 2.85Å; E1633-D1636 WeakPolarHBondContact O-CB 2.97Å; D1636-K1640 VanDerWaalsContact O-CB 3.3Å; D1636-K1640 WeakPolarHBondContact O-CB 2.99Å; D1636-K1640 VanDerWaalsContact O-CD 3.27Å; D1636-K1640 WeakPolarHBondContact O-CD 3.27Å; D1636-K1640 WeakPolarHBondContact O-CG 2.93Å; D1636-K1640 PolarHBondContact O-N 2.69Å; D1636-K1640 IonicContact OD2-NZ 3.73Å; D1636-K1640 PolarHBondContact OD2-NZ 3.26Å |
| 1637 | R | 87.8 | Confident | 80.5 | Confident | 156 Ų | 156 | 108.2 Ų | 108.2 | 59% | 0.589 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69 | -37.2 | 177 | -72.2 | 163.3 | -178.4 | -147.8 | 6.5 | 112 | E1633 L1634 I1635 A1641 | E1633-R1637 WeakPolarHBondContact O-CB 3.37Å; E1633-R1637 WeakPolarHBondContact O-CD 3.24Å; E1633-R1637 WeakPolarHBondContact O-CG 3.42Å; E1633-R1637 PolarHBondContact O-N 3.2Å; E1633-R1637 IonicContact OE1-CZ 3.58Å; E1633-R1637 VanDerWaalsContact OE1-CZ 3.28Å; E1633-R1637 IonicContact OE1-NE 2.69Å; E1633-R1637 PolarHBondContact OE1-NE 3.3Å; E1633-R1637 VanDerWaalsContact OE1-NE 3.14Å; E1633-R1637 IonicContact OE1-NH2 3.81Å; E1633-R1637 PolarHBondContact OE1-NH2 3.17Å; E1633-R1637 IonicContact OE2-NH2 3.33Å; L1634-R1637 PolarHBondContact O-N 3Å; I1635-R1637 VanDerWaalsContact C-N 3.26Å; I1635-R1637 PolarHBondContact O-N 2.68Å; R1637-A1641 VanDerWaalsContact O-CB 3.28Å; R1637-A1641 WeakPolarHBondContact O-CB 3.38Å; R1637-A1641 PolarHBondContact O-N 3.37Å |
| 1638 | L | 84.6 | Confident | 78.8 | Confident | 111 Ų | 111 | 109.8 Ų | 109.8 | 58% | 0.581 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.2 | -39.9 | 175.3 | -74.6 | 170.1 | 0 | 0 | 0 | 112.1 | L1634 I1635 A1641 A1642 | L1634-L1638 HydrophobicContact CD2-CD1 3.67Å; L1634-L1638 HydrophobicContact CD2-CG 4.1Å; L1634-L1638 WeakPolarHBondContact O-CB 3.21Å; L1634-L1638 WeakPolarHBondContact O-CG 3.4Å; L1634-L1638 PolarHBondContact O-N 3.31Å; I1635-L1638 CarbonylContact O-C 3.59Å; I1635-L1638 WeakPolarHBondContact O-CA 3.46Å; I1635-L1638 WeakPolarHBondContact O-CB 3.05Å; I1635-L1638 PolarHBondContact O-N 2.73Å; L1638-A1641 CarbonylContact O-C 3.58Å; L1638-A1641 PolarHBondContact O-N 2.82Å; L1638-A1642 WeakPolarHBondContact O-CB 3.32Å; L1638-A1642 PolarHBondContact O-N 3.35Å |
| 1639 | E | 85.9 | Confident | 76.6 | Confident | 119 Ų | 119 | 108.6 Ų | 108.6 | 56% | 0.556 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.8 | -40 | 174.6 | -70.7 | -169.2 | 172.5 | 0 | 0 | 111.7 | I1635 A1641 A1642 T1643 | I1635-E1639 HydrophobicContact CG2-CG 4.29Å; I1635-E1639 PolarHBondContact O-N 3.38Å; E1639-A1641 VanDerWaalsContact C-N 3.34Å; E1639-A1642 PolarHBondContact O-N 2.61Å; E1639-T1643 WeakPolarHBondContact O-CB 2.98Å; E1639-T1643 WeakPolarHBondContact O-CG2 3.18Å; E1639-T1643 PolarHBondContact O-N 3.2Å; E1639-T1643 PolarHBondContact O-OG1 2.97Å |
| 1640 | K | 85.6 | Confident | 74.5 | Confident | 113 Ų | 113 | 110 Ų | 110 | 49% | 0.491 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63 | -39.3 | 170.5 | -73.4 | 161.5 | -173.8 | 161.8 | 0 | 111.6 | D1636 T1643 H1644 | D1636-K1640 VanDerWaalsContact O-CB 3.3Å; D1636-K1640 WeakPolarHBondContact O-CB 2.99Å; D1636-K1640 VanDerWaalsContact O-CD 3.27Å; D1636-K1640 WeakPolarHBondContact O-CD 3.27Å; D1636-K1640 WeakPolarHBondContact O-CG 2.93Å; D1636-K1640 PolarHBondContact O-N 2.69Å; D1636-K1640 IonicContact OD2-NZ 3.73Å; D1636-K1640 PolarHBondContact OD2-NZ 3.26Å; K1640-T1643 WeakPolarHBondContact CA-OG1 3.43Å; K1640-T1643 PolarHBondContact O-OG1 3.47Å; K1640-H1644 WeakPolarHBondContact O-CB 3.26Å; K1640-H1644 PolarHBondContact O-CD2 3.41Å; K1640-H1644 PolarHBondContact O-N 3.33Å; K1640-H1644 VanDerWaalsContact O-N 3.11Å |
| 1641 | A | 82.9 | Confident | 72.2 | Confident | 55 Ų | 55 | 110.8 Ų | 110.8 | 46% | 0.455 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.1 | -31.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1637 L1638 E1639 | R1637-A1641 VanDerWaalsContact O-CB 3.28Å; R1637-A1641 WeakPolarHBondContact O-CB 3.38Å; R1637-A1641 PolarHBondContact O-N 3.37Å; L1638-A1641 CarbonylContact O-C 3.58Å; L1638-A1641 PolarHBondContact O-N 2.82Å; E1639-A1641 VanDerWaalsContact C-N 3.34Å |
| 1642 | A | 79.6 | Confident | 69.8 | Low | 62 Ų | 62 | 110 Ų | 110 | 51% | 0.512 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -73.8 | -47.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1638 E1639 H1644 R1645 | L1638-A1642 WeakPolarHBondContact O-CB 3.32Å; L1638-A1642 PolarHBondContact O-N 3.35Å; E1639-A1642 PolarHBondContact O-N 2.61Å; A1642-H1644 VanDerWaalsContact C-N 3.34Å; A1642-H1644 PolarHBondContact O-N 3.28Å; A1642-R1645 PolarHBondContact O-N 2.81Å; A1642-R1645 VanDerWaalsContact O-N 3.08Å |
| 1643 | T | 79.5 | Confident | 67.6 | Low | 109 Ų | 109 | 116.5 Ų | 116.5 | 67% | 0.669 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.4 | -29.9 | -179.8 | 49.3 | 0 | 0 | 0 | 0 | 113.3 | E1639 K1640 R1645 | E1639-T1643 WeakPolarHBondContact O-CB 2.98Å; E1639-T1643 WeakPolarHBondContact O-CG2 3.18Å; E1639-T1643 PolarHBondContact O-N 3.2Å; E1639-T1643 PolarHBondContact O-OG1 2.97Å; K1640-T1643 WeakPolarHBondContact CA-OG1 3.43Å; K1640-T1643 PolarHBondContact O-OG1 3.47Å; T1643-R1645 VanDerWaalsContact C-N 3.28Å; T1643-R1645 PolarHBondContact O-N 3.32Å |
| 1644 | H | 70.9 | Confident | 65.2 | Low | 167 Ų | 167 | 122 Ų | 122 | 77% | 0.773 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -6.9 | 171.5 | -77.5 | -54.9 | 0 | 0 | 0 | 114.7 | K1640 A1642 S1646 | K1640-H1644 WeakPolarHBondContact O-CB 3.26Å; K1640-H1644 PolarHBondContact O-CD2 3.41Å; K1640-H1644 PolarHBondContact O-N 3.33Å; K1640-H1644 VanDerWaalsContact O-N 3.11Å; A1642-H1644 VanDerWaalsContact C-N 3.34Å; A1642-H1644 PolarHBondContact O-N 3.28Å; H1644-S1646 PolarHBondContact O-N 2.74Å |
| 1645 | R | 55.6 | Low | 63.2 | Low | 211 Ų | 211 | 129 Ų | 129 | 80% | 0.796 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -87.1 | 90.5 | 172.2 | -76.8 | -177.4 | 173 | -158.7 | -1.2 | 111.2 | A1642 T1643 | A1642-R1645 PolarHBondContact O-N 2.81Å; A1642-R1645 VanDerWaalsContact O-N 3.08Å; T1643-R1645 VanDerWaalsContact C-N 3.28Å; T1643-R1645 PolarHBondContact O-N 3.32Å |
| 1646 | S | 47.4 | Very low | 61 | Low | 88 Ų | 88 | 136.7 Ų | 136.7 | 62% | 0.615 | 68% | 0.683 | S | S | * | * | trans | -51 | 136 | 171.5 | 61.5 | 0 | 0 | 0 | 0 | 111.7 | H1644 T1648 | H1644-S1646 PolarHBondContact O-N 2.74Å; S1646-T1648 VanDerWaalsContact C-N 3.33Å; S1646-T1648 PolarHBondContact O-N 3.11Å | ||
| 1647 | P | 46.1 | Very low | 58.8 | Low | 131 Ų | 131 | 141.2 Ų | 141.2 | 85% | 0.851 | 71% | 0.706 | S | S | * | * | trans | -76.6 | 73.9 | -164.2 | 31 | -37.8 | 0 | 0 | 0 | 113.8 | C1649 | P1647-C1649 PolarHBondContact O-N 3.22Å; P1647-C1649 VanDerWaalsContact O-N 3.13Å | ||
| 1648 | T | 51 | Low | 56.5 | Low | 116 Ų | 116 | 139.3 Ų | 139.3 | 71% | 0.712 | 72% | 0.716 | S | S | * | * | trans | -83 | 85.4 | 170.4 | -51 | 0 | 0 | 0 | 0 | 109.1 | S1646 I1650 | S1646-T1648 VanDerWaalsContact C-N 3.33Å; S1646-T1648 PolarHBondContact O-N 3.11Å; T1648-I1650 PolarHBondContact O-N 3.17Å; T1648-I1650 VanDerWaalsContact O-N 3.07Å | ||
| 1649 | C | 39.9 | Very low | 54.3 | Low | 94 Ų | 94 | 138.8 Ų | 138.8 | 64% | 0.635 | 73% | 0.728 | S | S | * | * | trans | -57.8 | 108.1 | -178.2 | 165.5 | 0 | 0 | 0 | 0 | 112.6 | P1647 C1651 | P1647-C1649 PolarHBondContact O-N 3.22Å; P1647-C1649 VanDerWaalsContact O-N 3.13Å; C1649-C1651 WeakPolarHBondContact CB-SG 3.02Å; C1649-C1651 PolarHBondContact O-N 3.22Å; C1649-C1651 WeakPolarHBondContact SG-CB 3.42Å; C1649-C1651 PolarHBondContact SG-N 2.95Å; C1649-C1651 VanDerWaalsContact SG-N 3.43Å; C1649-C1651 CovalentContact SG-SG 2.04Å; C1649-C1651 PolarHBondContact SG-SG 3.03Å | ||
| 1650 | I | 45.2 | Very low | 52.2 | Low | 165 Ų | 165 | 144.5 Ų | 144.5 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | trans | -98 | 52 | 162.7 | -48.9 | -175.2 | 0 | 0 | 0 | 108.4 | T1648 G1652 | T1648-I1650 PolarHBondContact O-N 3.17Å; T1648-I1650 VanDerWaalsContact O-N 3.07Å; I1650-G1652 PolarHBondContact O-N 3.41Å | ||
| 1651 | C | 41.7 | Very low | 49.9 | Very low | 107 Ų | 107 | 144 Ų | 144 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | trans | -90.8 | 92.5 | -176.2 | -27.5 | 0 | 0 | 0 | 0 | 110.4 | C1649 | C1649-C1651 WeakPolarHBondContact CB-SG 3.02Å; C1649-C1651 PolarHBondContact O-N 3.22Å; C1649-C1651 WeakPolarHBondContact SG-CB 3.42Å; C1649-C1651 PolarHBondContact SG-N 2.95Å; C1649-C1651 VanDerWaalsContact SG-N 3.43Å; C1649-C1651 CovalentContact SG-SG 2.04Å; C1649-C1651 PolarHBondContact SG-SG 3.03Å | ||
| 1652 | G | 37.8 | Very low | 47.9 | Very low | 62 Ų | 62 | 149.1 Ų | 149.1 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | trans | 142 | 155.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | I1650 | I1650-G1652 PolarHBondContact O-N 3.41Š| ||
| 1653 | R | 42.4 | Very low | 46.1 | Very low | 227 Ų | 227 | 150.8 Ų | 150.8 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | 82.3 | 125.8 | -173.4 | -54 | 175.4 | -178.7 | -163.5 | 0.8 | 113 | ||||
| 1654 | R | 40.2 | Very low | 44.3 | Very low | 214 Ų | 214 | 150.5 Ų | 150.5 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | cis | -155.8 | 113.3 | 0.7 | -112.9 | 167.7 | -174.8 | -163.4 | 0.4 | 111.9 | ||||
| 1655 | R | 44.7 | Very low | 42.9 | Very low | 251 Ų | 251 | 147.8 Ų | 147.8 | 95% | 0.947 | 79% | 0.79 | S | S | * | * | trans | -110.5 | 98.1 | 143.8 | -80.2 | -168.7 | -177.8 | -172 | 3.1 | 108.3 | ||||
| 1656 | R | 43.8 | Very low | 42.4 | Very low | 240 Ų | 240 | 141.6 Ų | 141.6 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | trans | -149.3 | 119.1 | 156.3 | -78.2 | -157 | 179.4 | -179.7 | 0.6 | 109.1 | ||||
| 1657 | I | 42.9 | Very low | 42.3 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 86% | 0.862 | 79% | 0.792 | S | S | * | * | trans | -83.7 | 146.8 | 171.9 | -70.6 | 169.1 | 0 | 0 | 0 | 108.6 | ||||
| 1658 | S | 39.8 | Very low | 42.3 | Very low | 115 Ų | 115 | 148.4 Ų | 148.4 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 45.1 | 100.2 | 162.2 | -161.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1659 | A | 38.4 | Very low | 41.9 | Very low | 101 Ų | 101 | 147.2 Ų | 147.2 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -155.3 | 152.4 | 138.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1660 | R | 40 | Very low | 42 | Very low | 239 Ų | 239 | 147.4 Ų | 147.4 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -81.3 | 162 | -164.6 | -72 | 173.3 | 165.1 | 173.4 | -5.8 | 115.6 | ||||
| 1661 | S | 38.6 | Very low | 41.9 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 82.7 | 124 | 141.1 | 60.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1662 | L | 40.7 | Very low | 42 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | 66.2 | 147.3 | 144.6 | -58.5 | 165.5 | 0 | 0 | 0 | 118.9 | ||||
| 1663 | S | 41.1 | Very low | 42.2 | Very low | 97 Ų | 97 | 152.8 Ų | 152.8 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | cis | -174 | 150.7 | -20.5 | 50.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1664 | A | 41.5 | Very low | 42.2 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | 65.1 | 156.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1665 | S | 42.3 | Very low | 42.2 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | cis | -166.6 | 162.6 | -19.8 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1666 | A | 45.2 | Very low | 42.2 | Very low | 81 Ų | 81 | 136.3 Ų | 136.3 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | trans | 72.3 | 149.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 1667 | R | 46.3 | Very low | 42 | Very low | 208 Ų | 208 | 130.3 Ų | 130.3 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | cis | -166.9 | 144.7 | -14.2 | -108.5 | 174.8 | -175.1 | -162.3 | 1.2 | 112.4 | ||||
| 1668 | H | 45.7 | Very low | 42.1 | Very low | 154 Ų | 154 | 127.7 Ų | 127.7 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | 60 | 155.5 | 142.3 | -60.1 | -33.5 | 0 | 0 | 0 | 123 | ||||
| 1669 | S | 42.6 | Very low | 42.2 | Very low | 92 Ų | 92 | 130 Ų | 130 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | cis | -174.4 | 170.6 | -25.2 | 58.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1670 | S | 42.2 | Very low | 42.4 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | trans | 66.4 | 128.6 | 148.3 | 44.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 1671 | S | 42.4 | Very low | 42.5 | Very low | 102 Ų | 102 | 127 Ų | 127 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | 81.6 | 140.9 | 54.3 | -84.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 1672 | E | 43.3 | Very low | 42.5 | Very low | 136 Ų | 136 | 126.8 Ų | 126.8 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | cis | -168.1 | 168.3 | -12 | -127 | 176.8 | 120.4 | 0 | 0 | 111.7 | ||||
| 1673 | R | 42.5 | Very low | 42.5 | Very low | 209 Ų | 209 | 126.8 Ų | 126.8 | 79% | 0.789 | 73% | 0.732 | S | S | * | * | trans | 52.7 | 106 | 150.8 | -68.5 | -176.8 | -157.2 | -129 | -6.6 | 122.9 | ||||
| 1674 | A | 42 | Very low | 42.6 | Very low | 90 Ų | 90 | 132 Ų | 132 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | 83.6 | 145.2 | 102.3 | 0 | 0 | 0 | 0 | 0 | 124 | |||||
| 1675 | S | 40.9 | Very low | 42.6 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | trans | 110.9 | 154.4 | 137.2 | 78.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 1676 | I | 43.7 | Very low | 42.6 | Very low | 150 Ų | 150 | 133.5 Ų | 133.5 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | 83.9 | 90.7 | 163.2 | -55.2 | 171.7 | 0 | 0 | 0 | 118.2 | ||||
| 1677 | S | 40.1 | Very low | 42.3 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | 66.7 | 163.6 | 123.1 | -76.3 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1678 | P | 45.7 | Very low | 42.1 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | trans | -115.6 | -179.4 | -155.7 | 43.5 | -34.1 | 0 | 0 | 0 | 114.1 | ||||
| 1679 | M | 40.3 | Very low | 41.8 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | -179.9 | 149.9 | 126.7 | -88.7 | -118.6 | 75.4 | 0 | 0 | 113.4 | |||||
| 1680 | S | 43.2 | Very low | 41.8 | Very low | 86 Ų | 86 | 136.8 Ų | 136.8 | 60% | 0.601 | 73% | 0.732 | S | S | * | * | trans | 50.5 | 121.3 | 143.8 | 67.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 1681 | K | 42.1 | Very low | 41.8 | Very low | 191 Ų | 191 | 138.9 Ų | 138.9 | 83% | 0.83 | 74% | 0.735 | S | S | * | * | 71.6 | 110.6 | 124.4 | -69.6 | -173.4 | 175.1 | -174.4 | 0 | 120.8 | |||||
| 1682 | S | 39.5 | Very low | 41.7 | Very low | 95 Ų | 95 | 140.9 Ų | 140.9 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | 90.5 | 132.2 | 111.3 | 71.1 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1683 | E | 40.7 | Very low | 41.6 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | trans | 95.7 | 150.6 | 131.7 | -102.3 | 165.4 | -125.5 | 0 | 0 | 121 | ||||
| 1684 | Y | 41.8 | Very low | 41.6 | Very low | 206 Ų | 206 | 137 Ų | 137 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | trans | 58 | 73 | 172.9 | -73.5 | -80.1 | 0 | 0 | 0 | 120.4 | ||||
| 1685 | A | 42.4 | Very low | 41.6 | Very low | 79 Ų | 79 | 140.1 Ų | 140.1 | 65% | 0.653 | 74% | 0.739 | S | S | * | * | 36.4 | 149.7 | 104.7 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 1686 | H | 41.2 | Very low | 41.6 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | 73.1 | 145.1 | 168.9 | -68.1 | -34.8 | 0 | 0 | 0 | 116.3 | ||||
| 1687 | R | 39 | Very low | 41.5 | Very low | 204 Ų | 204 | 142 Ų | 142 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | cis | -154.3 | 140.6 | 4.7 | -126.6 | 167.8 | -161.2 | -165.1 | 3.5 | 110.6 | ||||
| 1688 | V | 43.8 | Very low | 41.6 | Very low | 102 Ų | 102 | 144.3 Ų | 144.3 | 62% | 0.618 | 73% | 0.73 | S | S | * | * | trans | 48.7 | 102.6 | 147.2 | 176.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1689 | H | 39.3 | Very low | 41.2 | Very low | 161 Ų | 161 | 147.2 Ų | 147.2 | 75% | 0.745 | 73% | 0.731 | S | S | * | * | -138.2 | 0 | 101.6 | -124.4 | -70.7 | 0 | 0 | 0 | 112.7 | K1271 A1272 S1273 T1274 | K1271-H1689 PolarHBondContact O-NE2 3.06Å; A1272-H1689 VanDerWaalsContact CA-NE2 3.27Å; A1272-H1689 WeakPolarHBondContact CA-NE2 3.34Å; A1272-H1689 PolarHBondContact N-NE2 3.35Å; S1273-H1689 PolarHBondContact N-CD2 2.88Å; S1273-H1689 PolarHBondContact N-ND1 3.37Å; S1273-H1689 VanDerWaalsContact N-ND1 3.13Å; S1273-H1689 PolarHBondContact O-CD2 3.47Å; T1274-H1689 VanDerWaalsContact N-CG 3.27Å |
Retrieved 1,689 of 1,689 residues in 1225.3 ms
(Link to these results)