| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.2 | Very low | 39.9 | Very low | 238 Ų | 238 | 146.6 Ų | 146.6 | 100% | 1.172 | 81% | 0.814 | S | S | * | * | 0 | 93.7 | 0 | -58.7 | 166.7 | -175 | 0 | 0 | 104.9 | |||||
| 2 | A | 36.8 | Very low | 39.4 | Very low | 94 Ų | 94 | 150.3 Ų | 150.3 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | 61.2 | 121.1 | 71.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 3 | T | 38.9 | Very low | 38.9 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | cis | -158.4 | 132.9 | 6.1 | 21.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 4 | S | 43.7 | Very low | 39 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | 54.1 | 105.1 | 82.3 | -54.5 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 5 | I | 44.6 | Very low | 39.6 | Very low | 163 Ų | 163 | 143 Ų | 143 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -146.6 | 115.6 | 140 | -59.8 | -169.5 | 0 | 0 | 0 | 109.5 | ||||
| 6 | L | 40.5 | Very low | 40.3 | Very low | 167 Ų | 167 | 142.2 Ų | 142.2 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | 18.5 | 141.2 | 144.1 | -49.9 | 170.2 | 0 | 0 | 0 | 119.5 | ||||
| 7 | G | 35.9 | Very low | 40.2 | Very low | 68 Ų | 68 | 143.8 Ų | 143.8 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | cis | 105.8 | 138.1 | 38.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 8 | E | 33.4 | Very low | 40 | Very low | 198 Ų | 198 | 140.5 Ų | 140.5 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | cis | -150.1 | 168.8 | 10.2 | -68.2 | -179.9 | 89 | 0 | 0 | 112.6 | ||||
| 9 | E | 38.3 | Very low | 39.9 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 72% | 0.724 | 81% | 0.811 | S | S | * | * | trans | -74.7 | -174.4 | 165.9 | -84.5 | -84.6 | 138.7 | 0 | 0 | 111.1 | ||||
| 10 | P | 48.8 | Very low | 39.9 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | cis | -153.8 | 154 | 25 | 41.3 | -17.5 | 0 | 0 | 0 | 122.2 | ||||
| 11 | R | 38.8 | Very low | 39.6 | Very low | 188 Ų | 188 | 140.6 Ų | 140.6 | 71% | 0.709 | 81% | 0.808 | S | S | * | * | 51.9 | 157 | 126.8 | -54.5 | 175.3 | -180 | -172.9 | -1.1 | 126 | |||||
| 12 | F | 34 | Very low | 39.8 | Very low | 190 Ų | 190 | 133.8 Ų | 133.8 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | trans | 75.7 | 141.5 | 160.5 | -55.4 | -72.8 | 0 | 0 | 0 | 116.9 | ||||
| 13 | G | 32.9 | Very low | 39.8 | Very low | 58 Ų | 58 | 136.3 Ų | 136.3 | 60% | 0.598 | 80% | 0.796 | S | S | * | * | cis | 160.7 | 160.7 | -4.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 14 | T | 40.4 | Very low | 39.7 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 91% | 0.914 | 80% | 0.797 | S | S | * | * | trans | 69 | 130.6 | 167.8 | 63.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 15 | T | 48.3 | Very low | 39.4 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | trans | -83.6 | 163.3 | 158.4 | 48.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 16 | P | 49.6 | Very low | 39.3 | Very low | 130 Ų | 130 | 139 Ų | 139 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | -148.8 | -179.5 | 115.6 | 37.4 | -20.4 | 0 | 0 | 0 | 115.9 | |||||
| 17 | L | 39.1 | Very low | 39.1 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | trans | -93.6 | 155.4 | -176.4 | -109.4 | 141.8 | 0 | 0 | 0 | 113.7 | ||||
| 18 | A | 36.4 | Very low | 38.9 | Very low | 85 Ų | 85 | 139.1 Ų | 139.1 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | 85.3 | 152.4 | 146.6 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 19 | M | 37.8 | Very low | 38.9 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 86% | 0.862 | 79% | 0.792 | S | S | * | * | trans | 78.6 | 147.7 | 168.8 | -51.6 | -149.6 | -78.3 | 0 | 0 | 116.4 | ||||
| 20 | L | 39.9 | Very low | 38.8 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | cis | -147.6 | -177.2 | 4.3 | -155.4 | 67.8 | 0 | 0 | 0 | 111.2 | ||||
| 21 | A | 35.1 | Very low | 38.4 | Very low | 86 Ų | 86 | 137.1 Ų | 137.1 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -87.7 | 159.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 22 | A | 42.6 | Very low | 39.1 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | 25.5 | 123.4 | 148.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 23 | T | 37.8 | Very low | 38.9 | Very low | 146 Ų | 146 | 131.9 Ų | 131.9 | 90% | 0.896 | 81% | 0.805 | S | S | * | * | trans | -143 | 145.9 | 146.3 | 48.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 24 | C | 35.1 | Very low | 38.9 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -123.8 | 138.5 | 174.7 | -60.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 25 | N | 38.2 | Very low | 38.5 | Very low | 156 Ų | 156 | 133.5 Ų | 133.5 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | 172.2 | 165.9 | 146.6 | -95.8 | -38.3 | 0 | 0 | 0 | 109.9 | ||||
| 26 | K | 43.4 | Very low | 38 | Very low | 181 Ų | 181 | 135 Ų | 135 | 79% | 0.787 | 81% | 0.805 | S | S | * | * | cis | 171.7 | 116.5 | -42.1 | 171.8 | 178.8 | -179 | -178.7 | 0 | 108.1 | ||||
| 27 | I | 34.6 | Very low | 38 | Very low | 180 Ų | 180 | 134.5 Ų | 134.5 | 92% | 0.923 | 80% | 0.802 | S | S | * | * | trans | -151.1 | 136.2 | 162.4 | -49.5 | 178.5 | 0 | 0 | 0 | 106.4 | ||||
| 28 | G | 32.6 | Very low | 37.5 | Very low | 58 Ų | 58 | 133.5 Ų | 133.5 | 60% | 0.598 | 80% | 0.798 | S | S | * | * | cis | -175.3 | 157.9 | -7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 29 | N | 33.3 | Very low | 37.4 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | 30.6 | 122.5 | 160.6 | -55.3 | -5.8 | 0 | 0 | 0 | 119.4 | ||||
| 30 | T | 36.7 | Very low | 37.1 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | -152.8 | 158.5 | 77.6 | 34 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 31 | S | 39.5 | Very low | 36.7 | Very low | 117 Ų | 117 | 128 Ų | 128 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -151.4 | 155 | 171.5 | -51.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 32 | P | 53.1 | Low | 36.4 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | -148.9 | -174.3 | 71 | 33.7 | -10.2 | 0 | 0 | 0 | 113.4 | |||||
| 33 | L | 31.6 | Very low | 35.9 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | cis | -150.5 | 163.4 | -18.4 | -135.4 | 81 | 0 | 0 | 0 | 108.7 | ||||
| 34 | T | 32.5 | Very low | 35.8 | Very low | 111 Ų | 111 | 136 Ų | 136 | 68% | 0.681 | 79% | 0.79 | S | S | * | * | trans | -4.9 | 139.9 | 153.4 | -7.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 35 | T | 32.4 | Very low | 35.6 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | -169.4 | 148.7 | 64.4 | 45.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 36 | L | 36.9 | Very low | 35.3 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -85.9 | 153.9 | 159.1 | -74.6 | 170.4 | 0 | 0 | 0 | 109.5 | ||||
| 37 | P | 48.5 | Very low | 34.7 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | -148.7 | 176.9 | 75.6 | 39.6 | -19.1 | 0 | 0 | 0 | 118.1 | |||||
| 38 | D | 29 | Very low | 34.8 | Very low | 148 Ų | 148 | 132 Ų | 132 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -13 | 147 | 171.7 | -77.3 | -56.5 | 0 | 0 | 0 | 124.5 | ||||
| 39 | S | 34.5 | Very low | 35.3 | Very low | 104 Ų | 104 | 134.2 Ų | 134.2 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 60.5 | 104.2 | 138.6 | -63.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 40 | S | 31 | Very low | 35.2 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | 160.3 | 153.4 | 107.4 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 41 | A | 31.9 | Very low | 34.8 | Very low | 86 Ų | 86 | 142.3 Ų | 142.3 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | 61.7 | 133.9 | 150.3 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 42 | F | 28.9 | Very low | 34.3 | Very low | 201 Ų | 201 | 147.6 Ų | 147.6 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | trans | 78.4 | 116.9 | 141.8 | -98.9 | -118.2 | 0 | 0 | 0 | 122.4 | ||||
| 43 | S | 33.4 | Very low | 33.2 | Very low | 88 Ų | 88 | 147.1 Ų | 147.1 | 62% | 0.615 | 81% | 0.806 | S | S | * | * | trans | 97.1 | 114.6 | 134.6 | -67.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 44 | K | 35.1 | Very low | 33.2 | Very low | 205 Ų | 205 | 145.8 Ų | 145.8 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | trans | 79.2 | 117.8 | 134.2 | -70.1 | 177.8 | 176.8 | 176.3 | 0 | 120.4 | ||||
| 45 | G | 31 | Very low | 33.2 | Very low | 86 Ų | 86 | 145.7 Ų | 145.7 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | trans | 95.4 | 123.8 | 155.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 46 | G | 30.4 | Very low | 33.2 | Very low | 69 Ų | 69 | 144.6 Ų | 144.6 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | cis | 179.1 | 162.7 | -6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 47 | F | 31.2 | Very low | 32.7 | Very low | 213 Ų | 213 | 141.8 Ų | 141.8 | 93% | 0.934 | 80% | 0.804 | S | S | * | * | trans | 70.2 | 129.8 | 173.5 | -79.1 | -94.7 | 0 | 0 | 0 | 119.2 | ||||
| 48 | H | 37.1 | Very low | 31.8 | Very low | 184 Ų | 184 | 144 Ų | 144 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | trans | -98.1 | 153.9 | -170.1 | -65.9 | -90.4 | 0 | 0 | 0 | 113.5 | ||||
| 49 | P | 43.9 | Very low | 32 | Very low | 104 Ų | 104 | 144.8 Ų | 144.8 | 68% | 0.675 | 81% | 0.812 | S | S | * | * | trans | -87 | 152.9 | 158.9 | 35.6 | -32.1 | 0 | 0 | 0 | 112.4 | ||||
| 50 | W | 29.7 | Very low | 31.9 | Very low | 256 Ų | 256 | 143.2 Ų | 143.2 | 97% | 0.97 | 81% | 0.813 | S | S | * | * | trans | 63.3 | 135.9 | 156.8 | -72.3 | 42.9 | 0 | 0 | 0 | 119.3 | ||||
| 51 | K | 28.1 | Very low | 31.9 | Very low | 216 Ų | 216 | 143.4 Ų | 143.4 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | trans | -147.4 | 131.2 | 161.5 | -136 | 176.7 | -172.7 | -179.9 | 0 | 111.7 | ||||
| 52 | R | 30 | Very low | 31.9 | Very low | 228 Ų | 228 | 144.9 Ų | 144.9 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -130.2 | 134 | 162 | 178.4 | -179.1 | -89.9 | -100.4 | 5.3 | 107.5 | ||||
| 53 | S | 29.4 | Very low | 32 | Very low | 105 Ų | 105 | 143.1 Ų | 143.1 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | trans | 34 | 120.6 | 159.5 | -53.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 54 | S | 31.3 | Very low | 33.1 | Very low | 125 Ų | 125 | 145 Ų | 145 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | -169.2 | 147.1 | 120.2 | 46.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 55 | S | 34 | Very low | 32.9 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | trans | -80.4 | 150.1 | 167.9 | 44.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 56 | S | 30.8 | Very low | 32.7 | Very low | 107 Ų | 107 | 144.3 Ų | 144.3 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | 171 | 151.1 | 124.2 | -73.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 57 | C | 28.5 | Very low | 32.9 | Very low | 107 Ų | 107 | 146.6 Ų | 146.6 | 72% | 0.723 | 82% | 0.82 | S | S | * | * | trans | 20.9 | 150.9 | 154.7 | 64.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 58 | N | 28.3 | Very low | 32.8 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -142.2 | 142.7 | 144.9 | -106.8 | -42.9 | 0 | 0 | 0 | 110.9 | ||||
| 59 | L | 34 | Very low | 32.4 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | trans | -84.5 | 170.1 | 162.7 | -76.4 | 70.5 | 0 | 0 | 0 | 108.1 | ||||
| 60 | G | 31.1 | Very low | 31.8 | Very low | 71 Ų | 71 | 139.4 Ų | 139.4 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | cis | 143.9 | 138 | -2.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 61 | S | 31.4 | Very low | 32 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | 175.1 | 150.9 | 169.8 | 48.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 62 | S | 31.5 | Very low | 32.2 | Very low | 118 Ų | 118 | 133 Ų | 133 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | cis | -158.4 | 160.1 | -21.9 | 44.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 63 | L | 32.2 | Very low | 32.2 | Very low | 164 Ų | 164 | 126 Ų | 126 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | -65.5 | -175.2 | -172.5 | -69.2 | 166.1 | 0 | 0 | 0 | 116.4 | ||||
| 64 | P | 56.5 | Low | 32.4 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | cis | -137.9 | -178.8 | -43.7 | 36.9 | -20.2 | 0 | 0 | 0 | 114 | ||||
| 65 | G | 29.8 | Very low | 32.5 | Very low | 65 Ų | 65 | 127.2 Ų | 127.2 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | 170.2 | 112.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 66 | F | 27.3 | Very low | 32.4 | Very low | 213 Ų | 213 | 125.3 Ų | 125.3 | 93% | 0.934 | 79% | 0.79 | S | S | * | * | trans | 70.5 | 162.3 | 155.6 | -80.9 | -83.1 | 0 | 0 | 0 | 122.5 | ||||
| 67 | T | 33.8 | Very low | 32.4 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 71% | 0.712 | 80% | 0.799 | S | S | * | * | trans | -136.9 | 147.5 | -145.9 | 46.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 68 | V | 30.8 | Very low | 32.8 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 79% | 0.788 | 80% | 0.801 | S | S | * | * | trans | 59.4 | 119.5 | 145.8 | 177.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 69 | A | 27.8 | Very low | 33.6 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -152.1 | 160.4 | 139 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 70 | T | 30.9 | Very low | 33.5 | Very low | 118 Ų | 118 | 126 Ų | 126 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | trans | -132.3 | 142.7 | -150.9 | -26.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 71 | S | 34.4 | Very low | 33.6 | Very low | 95 Ų | 95 | 128.6 Ų | 128.6 | 66% | 0.664 | 80% | 0.801 | S | S | * | * | trans | 76 | 156.2 | 144.3 | 77.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 72 | R | 32.3 | Very low | 33.4 | Very low | 242 Ų | 242 | 126.2 Ų | 126.2 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | trans | 77.2 | 152 | 164 | -62.9 | 178.2 | 174.3 | -179.6 | -2.1 | 118 | ||||
| 73 | A | 30.6 | Very low | 33.4 | Very low | 81 Ų | 81 | 126 Ų | 126 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | cis | -172.8 | 138.1 | -30.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 74 | S | 33.8 | Very low | 33.2 | Very low | 107 Ų | 107 | 121.8 Ų | 121.8 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | 53.2 | 155.1 | 142 | -53.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 75 | T | 32.7 | Very low | 32.1 | Very low | 149 Ų | 149 | 123.4 Ų | 123.4 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | trans | 74.1 | 143.3 | 176 | 75 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 76 | G | 30.9 | Very low | 32.2 | Very low | 67 Ų | 67 | 126 Ų | 126 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | cis | 147.5 | 154.3 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 77 | L | 32.3 | Very low | 32.6 | Very low | 181 Ų | 181 | 119.9 Ų | 119.9 | 95% | 0.948 | 80% | 0.796 | S | S | * | * | trans | 92.9 | 132.1 | 170.4 | -53.3 | 175.7 | 0 | 0 | 0 | 119.2 | ||||
| 78 | T | 35.6 | Very low | 32.5 | Very low | 125 Ų | 125 | 123.9 Ų | 123.9 | 77% | 0.767 | 80% | 0.804 | S | S | * | * | trans | -90.5 | 170.9 | 158 | 51.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 79 | P | 45.4 | Very low | 32.5 | Very low | 127 Ų | 127 | 123.3 Ų | 123.3 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | -143.9 | -155.2 | 99.4 | 39 | -22.2 | 0 | 0 | 0 | 113.9 | |||||
| 80 | T | 32.8 | Very low | 32.7 | Very low | 125 Ų | 125 | 126.8 Ų | 126.8 | 77% | 0.767 | 81% | 0.808 | S | S | * | * | trans | -123.2 | 177.7 | -148.5 | 53.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 81 | S | 31.8 | Very low | 32.8 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | 77.2 | 148.4 | 171.3 | 79.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 82 | G | 28.2 | Very low | 32.5 | Very low | 71 Ų | 71 | 127.2 Ų | 127.2 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | cis | -179.5 | 161.8 | -5.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 83 | A | 31.2 | Very low | 32.5 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 93% | 0.934 | 82% | 0.818 | S | S | * | * | trans | 18.9 | 137.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 84 | G | 29 | Very low | 32.6 | Very low | 76 Ų | 76 | 123.3 Ų | 123.3 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | trans | 173.9 | 132 | 161 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 85 | N | 32.8 | Very low | 33.5 | Very low | 161 Ų | 161 | 123.3 Ų | 123.3 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | trans | -100.8 | 171.2 | -174.6 | -71.4 | -40.8 | 0 | 0 | 0 | 113.7 | ||||
| 86 | S | 32.3 | Very low | 33.5 | Very low | 120 Ų | 120 | 122.7 Ų | 122.7 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | trans | 86.2 | 152.5 | 145.2 | 78.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 87 | A | 35.6 | Very low | 33.5 | Very low | 84 Ų | 84 | 124.2 Ų | 124.2 | 69% | 0.694 | 81% | 0.814 | S | S | * | * | trans | -94.8 | 161.1 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 88 | F | 31.2 | Very low | 33.5 | Very low | 200 Ų | 200 | 121 Ų | 121 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -140.9 | 130.5 | 157.7 | -101.4 | -83 | 0 | 0 | 0 | 111.1 | ||||
| 89 | C | 32 | Very low | 33.4 | Very low | 118 Ų | 118 | 118.9 Ų | 118.9 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -96.4 | 138.2 | 164.1 | -59.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 90 | L | 31.8 | Very low | 32.6 | Very low | 176 Ų | 176 | 122.8 Ų | 122.8 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -141.7 | 135.3 | 153 | -81.1 | -177.4 | 0 | 0 | 0 | 109.9 | ||||
| 91 | A | 31.7 | Very low | 32.5 | Very low | 94 Ų | 94 | 122 Ų | 122 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | -87 | 158 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 92 | S | 29.6 | Very low | 32.6 | Very low | 127 Ų | 127 | 122 Ų | 122 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -155.2 | 158.4 | 161.8 | -79.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 93 | T | 31.6 | Very low | 32.9 | Very low | 139 Ų | 139 | 126.6 Ų | 126.6 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -94.7 | 167.4 | -153.4 | 46.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 94 | S | 33.4 | Very low | 32.9 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | -62.4 | 178.4 | 169 | 57.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 95 | P | 51.9 | Low | 33.1 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | cis | -157.4 | -162.4 | 46.4 | 39.8 | -12.9 | 0 | 0 | 0 | 119.2 | ||||
| 96 | T | 31.8 | Very low | 33.1 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | 85 | 148.3 | 167.6 | 79 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 97 | S | 31.4 | Very low | 33.1 | Very low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | cis | -155.5 | 161.6 | 13.8 | 54.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 98 | S | 32.8 | Very low | 32.8 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 62 | 155.7 | 147.9 | 61.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 99 | A | 33.3 | Very low | 32.9 | Very low | 80 Ų | 80 | 128.8 Ų | 128.8 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | cis | -173.8 | 174.6 | -25.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 100 | F | 28 | Very low | 32.9 | Very low | 209 Ų | 209 | 130.9 Ų | 130.9 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | trans | 79 | 114.8 | 164.7 | -77.6 | -82.5 | 0 | 0 | 0 | 121.2 | ||||
| 101 | S | 30.2 | Very low | 32.9 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | -77.1 | 167.3 | 163.2 | -38.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 102 | T | 35.2 | Very low | 33 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 77% | 0.767 | 78% | 0.784 | S | S | * | * | -171.6 | 129.3 | 118.5 | -67.2 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 103 | E | 34.8 | Very low | 33 | Very low | 168 Ų | 168 | 126.3 Ų | 126.3 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | 11.7 | 151.7 | 148.4 | -50.3 | -174.8 | 163.1 | 0 | 0 | 120.4 | ||||
| 104 | Y | 30.5 | Very low | 33 | Very low | 215 Ų | 215 | 125.9 Ų | 125.9 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | cis | -158 | 173.7 | 42.1 | -170 | -99.4 | 0 | 0 | 0 | 113.6 | ||||
| 105 | S | 33.9 | Very low | 32.8 | Very low | 97 Ų | 97 | 126.9 Ų | 126.9 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | -85.9 | 152.5 | -156.7 | -53.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 106 | G | 31.7 | Very low | 31.9 | Very low | 70 Ų | 70 | 127.4 Ų | 127.4 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | 102 | 160.9 | 129.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 107 | L | 32 | Very low | 31.9 | Very low | 139 Ų | 139 | 129.7 Ų | 129.7 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | cis | -168.8 | 140.5 | -13.2 | -100 | -172.9 | 0 | 0 | 0 | 108.4 | ||||
| 108 | F | 30.3 | Very low | 31.7 | Very low | 179 Ų | 179 | 131.3 Ų | 131.3 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | 55.6 | 167.3 | 153.4 | -63 | -47.9 | 0 | 0 | 0 | 119.2 | ||||
| 109 | S | 31.8 | Very low | 31.7 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | cis | -160.7 | 166.5 | -28.6 | -102.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 110 | N | 33.2 | Very low | 31.6 | Very low | 162 Ų | 162 | 130 Ų | 130 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | trans | -53.3 | 152.8 | 171.4 | -58.3 | -56.6 | 0 | 0 | 0 | 114.8 | ||||
| 111 | S | 31.7 | Very low | 31.9 | Very low | 127 Ų | 127 | 129 Ų | 129 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | -157.7 | 155.1 | 126.4 | 60.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 112 | A | 33 | Very low | 32.1 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | -119.7 | 167.9 | -172 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 113 | G | 30.1 | Very low | 32 | Very low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | 154.9 | 107.9 | 170 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 114 | V | 31.1 | Very low | 31.8 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | 85.7 | 138 | 50.8 | 174.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 115 | T | 30.7 | Very low | 31.9 | Very low | 124 Ų | 124 | 125.2 Ų | 125.2 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | 67.1 | 149.6 | 174.6 | 47.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 116 | T | 31.8 | Very low | 31.7 | Very low | 118 Ų | 118 | 125.6 Ų | 125.6 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | cis | -175.2 | 162.8 | -43.9 | 19.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 117 | Q | 32 | Very low | 31.7 | Very low | 185 Ų | 185 | 131.9 Ų | 131.9 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | 68.5 | 155.7 | 165 | -79.8 | -175.5 | -14.5 | 0 | 0 | 116.6 | ||||
| 118 | D | 28.4 | Very low | 31.8 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | cis | -161.2 | 165.5 | -13.9 | 174.9 | 44.6 | 0 | 0 | 0 | 109.6 | ||||
| 119 | S | 32 | Very low | 31.8 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | 42.3 | 151 | 153.7 | 61 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 120 | G | 31.5 | Very low | 32 | Very low | 68 Ų | 68 | 131.5 Ų | 131.5 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | 121.3 | 79.2 | 132.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 121 | Q | 34.9 | Very low | 31.8 | Very low | 189 Ų | 189 | 128.8 Ų | 128.8 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | 51.8 | 147.8 | 134.9 | -62.7 | -170 | -3.6 | 0 | 0 | 124.7 | ||||
| 122 | S | 33.3 | Very low | 31.7 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | 97.3 | 142.8 | 142.5 | 80.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 123 | A | 34.1 | Very low | 31.5 | Very low | 88 Ų | 88 | 129.8 Ų | 129.8 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -119 | 156.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 124 | F | 30 | Very low | 31.6 | Very low | 192 Ų | 192 | 132.1 Ų | 132.1 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | trans | -150.2 | 108.5 | 159.1 | -110.8 | -82.1 | 0 | 0 | 0 | 114.2 | ||||
| 125 | I | 32 | Very low | 31.5 | Very low | 132 Ų | 132 | 132 Ų | 132 | 68% | 0.677 | 76% | 0.759 | S | S | * | * | trans | 48.9 | 107.2 | 138.7 | -54.8 | -173.5 | 0 | 0 | 0 | 120.9 | ||||
| 126 | S | 29.4 | Very low | 31.5 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | 36.6 | 131.1 | 126.1 | -45.8 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 127 | K | 33.2 | Very low | 32.1 | Very low | 202 Ų | 202 | 135.7 Ų | 135.7 | 88% | 0.878 | 76% | 0.761 | S | S | * | * | -146.9 | 128.1 | 119.4 | -140.3 | 147.7 | -173.3 | 170.1 | 0 | 113 | |||||
| 128 | V | 33.3 | Very low | 32.3 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 65% | 0.648 | 76% | 0.764 | S | S | * | * | trans | -101.2 | 144 | 174.6 | 176.8 | 0 | 0 | 0 | 0 | 108.2 | T130 | V128-T130 HydrophobicContact CG1-CG2 4.27Š| ||
| 129 | H | 31.3 | Very low | 32.6 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | trans | -140.1 | 117.3 | 149.6 | -104.8 | -83.3 | 0 | 0 | 0 | 110.3 | ||||
| 130 | T | 34.8 | Very low | 32.5 | Very low | 123 Ų | 123 | 137 Ų | 137 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -122.8 | 124.3 | 172.5 | 42.4 | 0 | 0 | 0 | 0 | 108.9 | V128 | V128-T130 HydrophobicContact CG1-CG2 4.27Š| ||
| 131 | S | 28.6 | Very low | 32.6 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -170.4 | 119.9 | 155 | 37.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 132 | A | 29.3 | Very low | 32.5 | Very low | 91 Ų | 91 | 138 Ų | 138 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | 63.5 | 134.2 | 68.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 133 | E | 30.6 | Very low | 32.6 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | cis | 175.5 | -176.8 | 9.7 | -114.6 | -90.6 | 138.5 | 0 | 0 | 105.4 | ||||
| 134 | T | 31.9 | Very low | 32.6 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 71% | 0.712 | 78% | 0.778 | S | S | * | * | trans | 79.6 | 154.6 | 168.4 | 78.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 135 | L | 29.1 | Very low | 32.8 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | cis | -160.8 | 129.9 | -26.9 | -98.5 | 167.8 | 0 | 0 | 0 | 110.9 | ||||
| 136 | Y | 30.3 | Very low | 32.8 | Very low | 209 Ų | 209 | 145.4 Ų | 145.4 | 82% | 0.82 | 78% | 0.784 | S | S | * | * | trans | 64.2 | 161.8 | 147.4 | -74.8 | -45.6 | 0 | 0 | 0 | 125.3 | ||||
| 137 | P | 43.4 | Very low | 32.9 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | cis | -130 | 156.1 | -19.2 | 30.7 | -11.4 | 0 | 0 | 0 | 116.5 | ||||
| 138 | R | 36.6 | Very low | 32.9 | Very low | 244 Ų | 244 | 146.3 Ų | 146.3 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -101.3 | 114.3 | 171.8 | 177.9 | -179.6 | -178.5 | 165.9 | -0.5 | 110.2 | ||||
| 139 | V | 33.9 | Very low | 32.8 | Very low | 133 Ų | 133 | 152.3 Ų | 152.3 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | trans | -85 | 122.6 | 172.6 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 140 | G | 31.6 | Very low | 32.6 | Very low | 66 Ų | 66 | 153.9 Ų | 153.9 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | -91.2 | 143 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 141 | M | 33.2 | Very low | 32.4 | Very low | 175 Ų | 175 | 153.5 Ų | 153.5 | 86% | 0.862 | 80% | 0.801 | S | S | * | * | trans | -125.7 | 127.5 | 164.3 | -86.2 | 178.6 | 166.7 | 0 | 0 | 109.2 | ||||
| 142 | A | 32.2 | Very low | 32.4 | Very low | 103 Ų | 103 | 152 Ų | 152 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -74.7 | 141 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 143 | H | 35.3 | Very low | 32.3 | Very low | 180 Ų | 180 | 157.7 Ų | 157.7 | 83% | 0.833 | 81% | 0.81 | S | S | * | * | trans | -84 | 123.3 | 170.5 | -72.8 | -88.6 | 0 | 0 | 0 | 110.3 | Y145 | H143-Y145 PolarHBondContact O-N 2.9Å; H143-Y145 VanDerWaalsContact O-N 3.11Å | ||
| 144 | P | 35.3 | Very low | 32.2 | Very low | 129 Ų | 129 | 157.7 Ų | 157.7 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -88.1 | 70.2 | 179.8 | 35.3 | -34.7 | 0 | 0 | 0 | 111.7 | ||
| 145 | Y | 32.5 | Very low | 32 | Very low | 189 Ų | 189 | 157.7 Ų | 157.7 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | trans | -159.5 | 56.1 | 158.9 | -157.1 | -100.2 | 0 | 0 | 0 | 113 | H143 | H143-Y145 PolarHBondContact O-N 2.9Å; H143-Y145 VanDerWaalsContact O-N 3.11Å | ||
| 146 | E | 32.1 | Very low | 32.1 | Very low | 194 Ų | 194 | 157 Ų | 157 | 91% | 0.907 | 82% | 0.816 | S | S | * | * | trans | -131.5 | 86.7 | 160.3 | -80.7 | -139.6 | 150.9 | 0 | 0 | 109.7 | ||||
| 147 | S | 32.9 | Very low | 32.1 | Very low | 104 Ų | 104 | 155.2 Ų | 155.2 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | trans | -160.3 | 52.7 | 172.1 | 61.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 148 | W | 32.8 | Very low | 31.5 | Very low | 223 Ų | 223 | 155.9 Ų | 155.9 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -143 | 151.1 | 148.5 | -79.5 | -33 | 0 | 0 | 0 | 108.9 | ||
| 149 | Y | 30 | Very low | 31.2 | Very low | 232 Ų | 232 | 147.7 Ų | 147.7 | 91% | 0.91 | 82% | 0.818 | S | S | * | * | trans | 75.8 | 69.5 | -170.4 | -54.4 | -75.4 | 0 | 0 | 0 | 117.3 | ||||
| 150 | K | 28.9 | Very low | 31 | Very low | 213 Ų | 213 | 149 Ų | 149 | 93% | 0.926 | 82% | 0.82 | S | S | * | * | trans | -149.8 | 94.9 | 142 | -133.5 | 176 | -172.5 | 178.3 | 0 | 112.6 | ||||
| 151 | S | 30.4 | Very low | 30.9 | Very low | 116 Ų | 116 | 152.5 Ų | 152.5 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | trans | -133.2 | 96.4 | 157.2 | 56.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 152 | G | 28.1 | Very low | 30.7 | Very low | 73 Ų | 73 | 148.3 Ų | 148.3 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | -82.2 | 134.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 153 | F | 27.1 | Very low | 30.7 | Very low | 211 Ų | 211 | 151.7 Ų | 151.7 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | trans | -108.8 | 133.8 | 150.3 | -88.3 | -83.9 | 0 | 0 | 0 | 107.8 | ||||
| 154 | H | 28.8 | Very low | 30.4 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 76% | 0.759 | 82% | 0.824 | S | S | * | * | trans | -115.7 | 120.9 | -178.7 | 177.6 | -86.7 | 0 | 0 | 0 | 108.5 | ||||
| 155 | S | 27.3 | Very low | 30.1 | Very low | 116 Ų | 116 | 145.2 Ų | 145.2 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -153.2 | 109.8 | 170.3 | 53.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 156 | T | 32 | Very low | 30.1 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 68% | 0.681 | 83% | 0.825 | S | S | * | * | trans | -75.4 | 137.5 | 170.3 | 45 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 157 | I | 29.5 | Very low | 30.1 | Very low | 172 Ų | 172 | 137.7 Ų | 137.7 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | -167.6 | 143.4 | 146.9 | -99.9 | 149.2 | 0 | 0 | 0 | 108.2 | ||||
| 158 | S | 31.5 | Very low | 29.9 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 88% | 0.881 | 82% | 0.823 | S | S | * | * | trans | -90.4 | 155.2 | -178.7 | -52 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 159 | G | 29.2 | Very low | 30 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 74% | 0.742 | 83% | 0.826 | S | S | * | * | trans | 164.1 | 135.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 160 | D | 30.4 | Very low | 30 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | -91.3 | 169.7 | -164.4 | -59.3 | -80 | 0 | 0 | 0 | 116.6 | ||||
| 161 | V | 29.4 | Very low | 30.3 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | trans | 95 | 122.1 | 152.8 | -175.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 162 | A | 29.9 | Very low | 30.5 | Very low | 87 Ų | 87 | 138.7 Ų | 138.7 | 72% | 0.719 | 81% | 0.812 | S | S | * | * | trans | 77.9 | 115.6 | 148.6 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 163 | N | 31.6 | Very low | 30.7 | Very low | 175 Ų | 175 | 140.2 Ų | 140.2 | 94% | 0.936 | 81% | 0.811 | S | S | * | * | trans | 24.9 | 115.2 | 135.2 | -76.4 | -27.1 | 0 | 0 | 0 | 120.4 | ||||
| 164 | G | 27.8 | Very low | 30.9 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -157.8 | 130.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 165 | A | 29.9 | Very low | 31.3 | Very low | 95 Ų | 95 | 135.7 Ų | 135.7 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -73.4 | 136.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113 | S167 | A165-S167 PolarHBondContact O-N 3.3Š| ||
| 166 | S | 31.6 | Very low | 31.3 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -86.6 | 78.6 | 178.9 | 42.7 | 0 | 0 | 0 | 0 | 112.7 | W168 | S166-W168 PolarHBondContact O-N 3.3Š| ||
| 167 | S | 32.8 | Very low | 31.2 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | -85.9 | 89.6 | 172.9 | -62.5 | 0 | 0 | 0 | 0 | 112.4 | A165 | A165-S167 PolarHBondContact O-N 3.3Š| ||
| 168 | W | 29.3 | Very low | 31.1 | Very low | 220 Ų | 220 | 137.2 Ų | 137.2 | 83% | 0.833 | 81% | 0.814 | S | S | * | * | trans | -131 | 122.9 | 156.8 | -63.6 | -36.4 | 0 | 0 | 0 | 105.8 | S166 | S166-W168 PolarHBondContact O-N 3.3Š| ||
| 169 | W | 34.6 | Very low | 31.3 | Very low | 241 Ų | 241 | 137.9 Ų | 137.9 | 91% | 0.913 | 81% | 0.807 | S | S | * | * | cis | -142.1 | 131.4 | 43 | -49 | 76.3 | 0 | 0 | 0 | 111.9 | ||||
| 170 | D | 29.4 | Very low | 31.3 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | -91.9 | 121.9 | 161.8 | -99.3 | -55 | 0 | 0 | 0 | 110 | ||||
| 171 | V | 36.6 | Very low | 31.5 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | trans | -131.9 | 101.3 | 162.6 | 174.3 | 0 | 0 | 0 | 0 | 107.9 | S173 | V171-S173 PolarHBondContact O-N 3.19Š| ||
| 172 | H | 34.1 | Very low | 31.6 | Very low | 176 Ų | 176 | 141.7 Ų | 141.7 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | trans | -63.3 | 127.8 | 163.3 | -75.2 | -86 | 0 | 0 | 0 | 109.5 | ||||
| 173 | S | 32.3 | Very low | 31.8 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -142.9 | 94.3 | 162.1 | -76.6 | 0 | 0 | 0 | 0 | 108 | V171 | V171-S173 PolarHBondContact O-N 3.19Š| ||
| 174 | N | 30.4 | Very low | 32.5 | Very low | 162 Ų | 162 | 142 Ų | 142 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | trans | -64 | 130.2 | -177 | -161.3 | 14.5 | 0 | 0 | 0 | 110.1 | ||||
| 175 | P | 36.7 | Very low | 32.7 | Very low | 118 Ų | 118 | 143 Ų | 143 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | trans | -87 | 130.7 | -179.2 | 33 | -32.6 | 0 | 0 | 0 | 111.5 | ||||
| 176 | G | 29.1 | Very low | 32.7 | Very low | 76 Ų | 76 | 141.6 Ų | 141.6 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | 155.4 | 105.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 177 | S | 29.6 | Very low | 32.6 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | 145 | 116.4 | 122.1 | -160.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 178 | W | 26.8 | Very low | 32.5 | Very low | 246 Ų | 246 | 143.8 Ų | 143.8 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | trans | -138.6 | 148.8 | 162.6 | -116.8 | 70.6 | 0 | 0 | 0 | 105.6 | ||||
| 179 | L | 34.6 | Very low | 32.4 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | 81.1 | 139.5 | -158.2 | -50.2 | 163.7 | 0 | 0 | 0 | 111.6 | ||||
| 180 | D | 30.7 | Very low | 32.4 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | cis | -143.8 | 170.5 | 10.4 | -139.3 | -41.5 | 0 | 0 | 0 | 113.2 | ||||
| 181 | V | 33.4 | Very low | 32.3 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | trans | -99.5 | 110.4 | 175.3 | 171.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 182 | Q | 32.3 | Very low | 32.1 | Very low | 188 Ų | 188 | 136.7 Ų | 136.7 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | -166.8 | 123.7 | 151.8 | -104.3 | 142.4 | 33.9 | 0 | 0 | 112.6 | ||||
| 183 | N | 33.8 | Very low | 31.9 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -87.7 | 164.7 | 149.8 | -112.8 | -31.8 | 0 | 0 | 0 | 107 | ||||
| 184 | P | 47.4 | Very low | 31.8 | Very low | 114 Ų | 114 | 137 Ų | 137 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | cis | -141.5 | 176.6 | 23.2 | 41.3 | -22.1 | 0 | 0 | 0 | 117.2 | ||||
| 185 | A | 30.6 | Very low | 31.8 | Very low | 100 Ų | 100 | 132 Ų | 132 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | 41 | 130.4 | 143 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 186 | G | 29.8 | Very low | 31.6 | Very low | 65 Ų | 65 | 133.1 Ų | 133.1 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | 146.7 | 110.2 | 144.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 187 | T | 31 | Very low | 32.7 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | trans | 59.9 | 126.5 | 137.1 | 47.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 188 | L | 29.1 | Very low | 32.9 | Very low | 141 Ų | 141 | 139 Ų | 139 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | 70.1 | 108.3 | 136.6 | -62.2 | 172.9 | 0 | 0 | 0 | 118.5 | ||||
| 189 | Q | 28.8 | Very low | 33 | Very low | 169 Ų | 169 | 131 Ų | 131 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | 69.8 | 117.8 | 92.8 | -84.3 | -158.9 | 1.5 | 0 | 0 | 115.7 | |||||
| 190 | T | 33.2 | Very low | 32.7 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | -152.9 | 127 | 125.8 | 33.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 191 | S | 27.9 | Very low | 32.8 | Very low | 87 Ų | 87 | 133 Ų | 133 | 61% | 0.608 | 78% | 0.781 | S | S | * | * | trans | -83.3 | 155.5 | 173.1 | -50.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 192 | L | 31.9 | Very low | 32.9 | Very low | 180 Ų | 180 | 131.1 Ų | 131.1 | 94% | 0.942 | 77% | 0.774 | S | S | * | * | trans | -138.7 | 134.6 | 152.5 | -108.4 | 156.6 | 0 | 0 | 0 | 109.4 | ||||
| 193 | H | 29.5 | Very low | 33 | Very low | 165 Ų | 165 | 130 Ų | 130 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | -112.8 | 139.4 | -164.5 | -72.3 | 79.7 | 0 | 0 | 0 | 112.4 | ||||
| 194 | S | 31.4 | Very low | 32.8 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | -169.1 | 138.8 | 139.7 | 49.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 195 | G | 29.1 | Very low | 32.1 | Very low | 57 Ų | 57 | 129.2 Ų | 129.2 | 59% | 0.588 | 77% | 0.766 | S | S | * | * | cis | 113.8 | 62.1 | 13.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 196 | T | 34.5 | Very low | 32 | Very low | 140 Ų | 140 | 127.6 Ų | 127.6 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | 71.6 | 164.7 | 104.7 | 59.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 197 | P | 50.6 | Low | 31.9 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | cis | -136.4 | 168.7 | 5.1 | 41.8 | -25.1 | 0 | 0 | 0 | 116.9 | ||||
| 198 | Q | 33.6 | Very low | 31.9 | Very low | 196 Ų | 196 | 136.6 Ų | 136.6 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | trans | 165 | 145.4 | 142.8 | -93.5 | 177.7 | 24.7 | 0 | 0 | 108.1 | ||||
| 199 | A | 29.6 | Very low | 33.2 | Very low | 79 Ų | 79 | 134 Ų | 134 | 65% | 0.653 | 76% | 0.762 | S | S | * | * | cis | -160.1 | 130.5 | -24.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 200 | I | 28.5 | Very low | 33.1 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | 44.4 | 108.5 | 145.6 | -37.9 | 164.2 | 0 | 0 | 0 | 120.3 | ||||
| 201 | H | 33.3 | Very low | 32.9 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 78% | 0.782 | 76% | 0.756 | S | S | * | * | 179.9 | 105.8 | 123.7 | -112.4 | -104.1 | 0 | 0 | 0 | 109.4 | |||||
| 202 | S | 34.1 | Very low | 33.1 | Very low | 83 Ų | 83 | 135.2 Ų | 135.2 | 58% | 0.58 | 76% | 0.762 | S | S | * | * | 69.1 | 101.8 | 103.4 | 74.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 203 | Q | 34.6 | Very low | 33 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | 75.5 | 134.3 | 82.5 | -64.8 | -94.5 | -2.4 | 0 | 0 | 112.2 | |||||
| 204 | L | 31 | Very low | 33 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | cis | -166 | 173 | -1.2 | -171.1 | 57.6 | 0 | 0 | 0 | 110.1 | ||||
| 205 | S | 33.1 | Very low | 32.9 | Very low | 112 Ų | 112 | 129.7 Ų | 129.7 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | trans | 81.4 | 138.7 | 156.2 | -54.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 206 | G | 27.2 | Very low | 33 | Very low | 66 Ų | 66 | 134.8 Ų | 134.8 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | cis | 153.5 | 154.2 | -6.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 207 | Y | 28.3 | Very low | 32.9 | Very low | 237 Ų | 237 | 133 Ų | 133 | 93% | 0.929 | 74% | 0.741 | S | S | * | * | trans | 73.6 | 96.3 | 164.4 | -77.6 | -87.9 | 0 | 0 | 0 | 121.5 | ||||
| 208 | N | 30.7 | Very low | 31.9 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | -36.1 | 179 | 126.4 | -113.5 | -7.9 | 0 | 0 | 0 | 115.6 | |||||
| 209 | P | 55.4 | Low | 31.6 | Very low | 86 Ų | 86 | 131.7 Ų | 131.7 | 56% | 0.558 | 74% | 0.737 | S | S | * | * | cis | -142.6 | -167 | -7.7 | 33 | -8.9 | 0 | 0 | 0 | 115.5 | ||||
| 210 | D | 27.6 | Very low | 31.6 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | trans | 68.7 | 160.7 | 150.3 | -61.5 | -28.4 | 0 | 0 | 0 | 121.1 | ||||
| 211 | F | 29.3 | Very low | 31.9 | Very low | 180 Ų | 180 | 130.4 Ų | 130.4 | 79% | 0.789 | 74% | 0.737 | S | S | * | * | cis | 172.9 | 153.2 | -37.4 | -149.7 | -87.7 | 0 | 0 | 0 | 104.6 | ||||
| 212 | S | 31.7 | Very low | 32 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | trans | 74 | 148.8 | 172.7 | -40.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 213 | S | 28.9 | Very low | 31.9 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | cis | -172.1 | 154.6 | -17.8 | 51.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 214 | L | 30 | Very low | 31.8 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | 68.1 | 134.1 | 145.4 | -73.1 | 159.2 | 0 | 0 | 0 | 121.7 | ||||
| 215 | T | 30.6 | Very low | 31.8 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | trans | 88.7 | 132.3 | 136.3 | 43.6 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 216 | H | 30.9 | Very low | 32.6 | Very low | 164 Ų | 164 | 127.1 Ų | 127.1 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | 72.2 | 89.7 | 144.1 | -73.5 | -61 | 0 | 0 | 0 | 122 | ||||
| 217 | S | 31.8 | Very low | 32.9 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | 55 | 137.8 | 115.1 | 62.6 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 218 | A | 29.9 | Very low | 33 | Very low | 86 Ų | 86 | 122.2 Ų | 122.2 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | trans | 114.6 | 121 | 134.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 219 | F | 27.7 | Very low | 33.2 | Very low | 196 Ų | 196 | 120.3 Ų | 120.3 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | trans | 85.1 | 153.5 | 134 | -101.4 | -96.5 | 0 | 0 | 0 | 123.5 | ||||
| 220 | S | 28.3 | Very low | 32 | Very low | 103 Ų | 103 | 123.8 Ų | 123.8 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | trans | 78.1 | 112.5 | 166.1 | -52 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 221 | S | 36.1 | Very low | 32 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | cis | 89.9 | 114 | 25.6 | 88.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 222 | T | 35 | Very low | 32 | Very low | 145 Ų | 145 | 122 Ų | 122 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | trans | -167 | 131.3 | 143.3 | 35.2 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 223 | G | 30.6 | Very low | 31.9 | Very low | 71 Ų | 71 | 121.4 Ų | 121.4 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | 90.1 | 131.3 | 72.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 224 | I | 32.8 | Very low | 32.1 | Very low | 173 Ų | 173 | 122.6 Ų | 122.6 | 89% | 0.887 | 75% | 0.749 | S | S | * | * | cis | -162.3 | 159.6 | 35.3 | -81.2 | 156 | 0 | 0 | 0 | 109.3 | ||||
| 225 | S | 31.8 | Very low | 32.1 | Very low | 104 Ų | 104 | 120.3 Ų | 120.3 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | -110.9 | 165 | 168 | -141.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 226 | P | 49.7 | Very low | 32.6 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | -158.9 | 174.9 | 53.7 | 39.9 | -16.4 | 0 | 0 | 0 | 119.5 | |||||
| 227 | S | 32.7 | Very low | 32.6 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | trans | 58.9 | 164.2 | 145.6 | 53.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 228 | A | 31.8 | Very low | 32.6 | Very low | 87 Ų | 87 | 126.3 Ų | 126.3 | 72% | 0.719 | 76% | 0.758 | S | S | * | * | cis | -169.8 | 176.9 | -31 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 229 | S | 33.6 | Very low | 32.7 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 98.3 | 112.7 | 151.4 | -51.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 230 | H | 30.5 | Very low | 33 | Very low | 160 Ų | 160 | 125.5 Ų | 125.5 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | 62.1 | 115.9 | 123.2 | -72.8 | -88.1 | 0 | 0 | 0 | 124.8 | |||||
| 231 | L | 28.4 | Very low | 33.1 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | 74.3 | 134.2 | 125.3 | -58.7 | 174.6 | 0 | 0 | 0 | 123 | |||||
| 232 | L | 28.2 | Very low | 32.8 | Very low | 150 Ų | 150 | 129.4 Ų | 129.4 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | 37.8 | 132.5 | 146.7 | -72.5 | 83.7 | 0 | 0 | 0 | 118.6 | ||||
| 233 | S | 29.8 | Very low | 32.6 | Very low | 92 Ų | 92 | 126 Ų | 126 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | 179.5 | 154.2 | 58.5 | -165.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 234 | T | 33.5 | Very low | 32.7 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | trans | 44.3 | 122.1 | 145.8 | 47.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 235 | S | 31.3 | Very low | 32.6 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | 125.1 | 138.3 | 108.1 | -91.4 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 236 | Q | 40.2 | Very low | 32.6 | Very low | 178 Ų | 178 | 135.3 Ų | 135.3 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | 72.8 | 109.3 | 159.6 | -65.1 | 166.6 | 16.5 | 0 | 0 | 117.2 | ||||
| 237 | H | 30.1 | Very low | 31.7 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | 77.2 | 103.7 | 75.6 | -110.7 | -101.4 | 0 | 0 | 0 | 113.9 | |||||
| 238 | L | 32.9 | Very low | 31.6 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | -176.5 | 159.9 | 111 | -95.3 | 160.2 | 0 | 0 | 0 | 111.4 | |||||
| 239 | L | 31.1 | Very low | 32.3 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | -73.9 | 164.7 | 179.1 | -54.7 | 97.3 | 0 | 0 | 0 | 109.8 | ||||
| 240 | T | 33.9 | Very low | 32 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | cis | -159.2 | 139.6 | 44.4 | 42.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 241 | Q | 30.9 | Very low | 31.8 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | 40.3 | 125.5 | 137.3 | -69.2 | -170 | -89.6 | 0 | 0 | 123.9 | ||||
| 242 | D | 30 | Very low | 32 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | 68.6 | 79.9 | 126.6 | -54.1 | -27.1 | 0 | 0 | 0 | 120.8 | |||||
| 243 | G | 31.4 | Very low | 31.9 | Very low | 72 Ų | 72 | 140.9 Ų | 140.9 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | -102.2 | 109.5 | 156 | 0 | 0 | 0 | 0 | 0 | 112.5 | K245 | G243-K245 PolarHBondContact O-N 2.81Š| ||
| 244 | F | 31.9 | Very low | 32 | Very low | 207 Ų | 207 | 140.8 Ų | 140.8 | 91% | 0.908 | 77% | 0.771 | S | S | * | * | trans | -64.7 | 116.9 | 169 | -89.6 | -96 | 0 | 0 | 0 | 110.6 | ||||
| 245 | K | 31.6 | Very low | 32 | Very low | 201 Ų | 201 | 141.2 Ų | 141.2 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -91.1 | 118.2 | 175.8 | -73.7 | -177 | 176.8 | 178.9 | 0 | 111.6 | G243 | G243-K245 PolarHBondContact O-N 2.81Š| ||
| 246 | T | 31.5 | Very low | 32 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -113.3 | 101.6 | 162.2 | 48.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 247 | V | 31 | Very low | 31.7 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | -141 | 131.6 | 169.7 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 248 | I | 29.1 | Very low | 31.9 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -140.5 | 157.8 | 162.9 | -29 | 178.3 | 0 | 0 | 0 | 105.9 | ||||
| 249 | P | 47.1 | Very low | 31.7 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | -110.3 | -168.9 | -69.5 | 36.6 | -23.2 | 0 | 0 | 0 | 110.4 | |||||
| 250 | T | 27.7 | Very low | 31.8 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 68% | 0.681 | 79% | 0.792 | S | S | * | * | 178 | 145.6 | 116.8 | 29.9 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 251 | Y | 26.6 | Very low | 31.9 | Very low | 198 Ų | 198 | 138.1 Ų | 138.1 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | 61.6 | 144.4 | 148.3 | 73 | -121.4 | 0 | 0 | 0 | 124.6 | ||||
| 252 | T | 31.6 | Very low | 32.1 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | trans | 63.9 | 146.8 | 163.2 | 64.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 253 | D | 27.3 | Very low | 32.2 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | cis | -149.3 | 176.1 | -16.5 | -142.2 | -38.1 | 0 | 0 | 0 | 110 | ||||
| 254 | A | 32 | Very low | 32.2 | Very low | 90 Ų | 90 | 133.7 Ų | 133.7 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | -82.8 | 147.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 255 | S | 32.3 | Very low | 32.3 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | trans | -150.7 | 144.8 | 147.6 | 54.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 256 | A | 32.4 | Very low | 32.4 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | trans | -111.7 | 150.5 | -167.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 257 | A | 33.5 | Very low | 32.6 | Very low | 90 Ų | 90 | 124.6 Ų | 124.6 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | -151.8 | 116.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 258 | N | 34.7 | Very low | 33 | Very low | 158 Ų | 158 | 126.3 Ų | 126.3 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | 36.2 | 105.8 | 145.1 | -54.8 | -21.2 | 0 | 0 | 0 | 118.6 | ||||
| 259 | A | 29.3 | Very low | 33 | Very low | 89 Ų | 89 | 124.5 Ų | 124.5 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | 81.8 | 115.4 | 72 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 260 | M | 31.9 | Very low | 32.5 | Very low | 197 Ų | 197 | 124.9 Ų | 124.9 | 97% | 0.97 | 81% | 0.812 | S | S | * | * | trans | -148 | 147.7 | 133.5 | -78.5 | -146.4 | 177.7 | 0 | 0 | 110.1 | ||||
| 261 | I | 36.3 | Very low | 32.6 | Very low | 163 Ų | 163 | 124.9 Ų | 124.9 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | trans | -108.1 | 139.5 | -171.7 | -66.6 | 168 | 0 | 0 | 0 | 109.7 | ||||
| 262 | S | 35.1 | Very low | 33 | Very low | 122 Ų | 122 | 121.4 Ų | 121.4 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -168.4 | 146.4 | 142 | -84.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 263 | G | 31.4 | Very low | 33.2 | Very low | 83 Ų | 83 | 127 Ų | 127 | 86% | 0.856 | 83% | 0.829 | S | S | * | * | trans | -63.4 | 177.6 | -160.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 264 | G | 32.1 | Very low | 33.8 | Very low | 64 Ų | 64 | 124.9 Ų | 124.9 | 66% | 0.66 | 83% | 0.826 | S | S | * | * | cis | 173.6 | -161.8 | 5.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 265 | T | 35 | Very low | 34 | Very low | 152 Ų | 152 | 125.4 Ų | 125.4 | 93% | 0.933 | 82% | 0.824 | S | S | * | * | trans | 80.4 | 124.7 | -175.6 | 74.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 266 | S | 33.4 | Very low | 34.2 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 94% | 0.937 | 82% | 0.823 | S | S | * | * | trans | -87.1 | 121 | -170.7 | -46.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 267 | G | 35.7 | Very low | 34.5 | Very low | 67 Ų | 67 | 135.9 Ų | 135.9 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | trans | -112.4 | 130 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | S269 | G267-S269 PolarHBondContact O-N 3.22Š| ||
| 268 | I | 38.3 | Very low | 34.2 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 87% | 0.872 | 82% | 0.824 | S | S | * | * | trans | -63.3 | 121.7 | -172.5 | -61.3 | 155.9 | 0 | 0 | 0 | 111 | S270 | I268-S270 PolarHBondContact O-N 3.28Š| ||
| 269 | S | 29.9 | Very low | 34.4 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | trans | -69.2 | 84.2 | -179.3 | -56 | 0 | 0 | 0 | 0 | 113 | G267 S271 | G267-S269 PolarHBondContact O-N 3.22Å; S269-S271 PolarHBondContact O-N 3.43Å | ||
| 270 | S | 35.6 | Very low | 34.7 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | -74 | 113.1 | 169.5 | 64.5 | 0 | 0 | 0 | 0 | 110.9 | I268 | I268-S270 PolarHBondContact O-N 3.28Š| ||
| 271 | S | 29.6 | Very low | 35.1 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -34.2 | 131.6 | -179.9 | -174 | 0 | 0 | 0 | 0 | 116 | S269 R273 | S269-S271 PolarHBondContact O-N 3.43Å; S271-R273 VanDerWaalsContact C-N 3.33Å; S271-R273 PolarHBondContact O-N 3.22Å | ||
| 272 | S | 34.9 | Very low | 35.3 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | -64.2 | 79.2 | -179.8 | -59.1 | 0 | 0 | 0 | 0 | 113.5 | S274 | S272-S274 PolarHBondContact O-N 2.94Š| ||
| 273 | R | 37 | Very low | 35.8 | Very low | 237 Ų | 237 | 129.1 Ų | 129.1 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | trans | -65.3 | 117.8 | 163.4 | -84 | -176.3 | 170.2 | 166.3 | -1.2 | 109.3 | S271 S275 | S271-R273 VanDerWaalsContact C-N 3.33Å; S271-R273 PolarHBondContact O-N 3.22Å; R273-S275 VanDerWaalsContact C-N 3.33Å; R273-S275 PolarHBondContact O-N 3.37Å | ||
| 274 | S | 39.2 | Very low | 36.7 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | -57.2 | 87.9 | 179.3 | -172.5 | 0 | 0 | 0 | 0 | 112.1 | S272 R276 | S272-S274 PolarHBondContact O-N 2.94Å; S274-R276 PolarHBondContact O-N 3.34Å | ||
| 275 | S | 35.7 | Very low | 37.9 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | trans | -87.8 | 89.7 | 164.5 | -171.6 | 0 | 0 | 0 | 0 | 107.7 | R273 R277 | R273-S275 VanDerWaalsContact C-N 3.33Å; R273-S275 PolarHBondContact O-N 3.37Å; S275-R277 VanDerWaalsContact C-N 3.27Å; S275-R277 PolarHBondContact O-N 3.28Å | ||
| 276 | R | 36.1 | Very low | 39.2 | Very low | 227 Ų | 227 | 123.2 Ų | 123.2 | 86% | 0.857 | 70% | 0.697 | S | S | * | * | trans | -58.8 | 98.8 | 159.6 | -69.1 | -174.3 | -169.5 | -165.5 | 2.6 | 106.7 | S274 Y278 | S274-R276 PolarHBondContact O-N 3.34Å; R276-Y278 VanDerWaalsContact C-N 3.27Å; R276-Y278 PolarHBondContact O-N 3.32Å | ||
| 277 | R | 38.7 | Very low | 40.8 | Very low | 226 Ų | 226 | 119.1 Ų | 119.1 | 85% | 0.853 | 67% | 0.668 | S | S | * | * | trans | -62 | 97.8 | 165.5 | -70.8 | -166.8 | -168 | -170.2 | 7.2 | 106.5 | S275 S279 | S275-R277 VanDerWaalsContact C-N 3.27Å; S275-R277 PolarHBondContact O-N 3.28Å; R277-S279 PolarHBondContact O-N 3.01Å | ||
| 278 | Y | 28.8 | Very low | 42 | Very low | 200 Ų | 200 | 117.1 Ų | 117.1 | 78% | 0.784 | 64% | 0.641 | S | S | * | * | trans | -67.8 | 89.6 | 169.4 | -170 | -95.5 | 0 | 0 | 0 | 107.2 | R276 G280 | R276-Y278 VanDerWaalsContact C-N 3.27Å; R276-Y278 PolarHBondContact O-N 3.32Å; Y278-G280 WeakPolarHBondContact CD1-O 3.2Å; Y278-G280 WeakPolarHBondContact CE1-O 3.46Å; Y278-G280 PolarHBondContact O-N 3.06Å | ||
| 279 | S | 38.1 | Very low | 43.3 | Very low | 119 Ų | 119 | 109.6 Ų | 109.6 | 83% | 0.832 | 60% | 0.603 | S | S | * | * | trans | -73.9 | 2.5 | 177 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | R277 R281 | R277-S279 PolarHBondContact O-N 3.01Å; S279-R281 PolarHBondContact O-N 3.39Å | ||
| 280 | G | 35 | Very low | 45.1 | Very low | 38 Ų | 38 | 110.3 Ų | 110.3 | 39% | 0.392 | 59% | 0.593 | S | S | . | * | trans | -66.6 | 97.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y278 A282 | Y278-G280 WeakPolarHBondContact CD1-O 3.2Å; Y278-G280 WeakPolarHBondContact CE1-O 3.46Å; Y278-G280 PolarHBondContact O-N 3.06Å; G280-A282 PolarHBondContact O-N 3.25Å | ||
| 281 | R | 41.1 | Very low | 46.5 | Very low | 142 Ų | 142 | 108.4 Ų | 108.4 | 54% | 0.536 | 57% | 0.572 | S | S | . | * | trans | -65.8 | 86.5 | 169.5 | -167.2 | -176.4 | -157.2 | -105.4 | 20.2 | 107.9 | S279 T283 E293 | S279-R281 PolarHBondContact O-N 3.39Å; R281-T283 PolarHBondContact O-N 3.36Å; R281-E293 IonicContact CZ-OE1 3.58Å; R281-E293 IonicContact CZ-OE2 3.5Å; R281-E293 IonicContact NH1-OE1 3.42Å; R281-E293 PolarHBondContact NH1-OE1 3.4Å; R281-E293 IonicContact NH1-OE2 2.76Å; R281-E293 PolarHBondContact NH1-OE2 3.14Å; R281-E293 IonicContact NH2-OE1 2.68Å; R281-E293 PolarHBondContact NH2-OE1 2.84Å; R281-E293 IonicContact NH2-OE2 3.88Å | ||
| 282 | A | 40 | Very low | 48.3 | Very low | 82 Ų | 82 | 103.1 Ų | 103.1 | 68% | 0.678 | 54% | 0.536 | S | S | * | . | trans | -57.6 | 103.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | G280 C284 | G280-A282 PolarHBondContact O-N 3.25Å; A282-C284 PolarHBondContact O-N 2.82Å | ||
| 283 | T | 45.8 | Very low | 50 | Low | 95 Ų | 95 | 101.9 Ų | 101.9 | 58% | 0.583 | 52% | 0.516 | S | S | * | . | trans | -65.5 | 100.8 | -178.7 | 46.1 | 0 | 0 | 0 | 0 | 107.5 | R281 D285 | R281-T283 PolarHBondContact O-N 3.36Å; T283-D285 PolarHBondContact O-N 2.87Å; T283-D285 VanDerWaalsContact O-N 3.15Å | ||
| 284 | C | 50.1 | Low | 51.6 | Low | 43 Ų | 43 | 98.8 Ų | 98.8 | 29% | 0.291 | 51% | 0.505 | S | S | . | . | trans | -77 | 99.4 | 175.4 | 40.7 | 0 | 0 | 0 | 0 | 108 | A282 C286 C289 T322 | A282-C284 PolarHBondContact O-N 2.82Å; C284-C286 PolarHBondContact O-N 3.31Å; C284-C289 HydrophobicContact CB-CB 3.86Å; C284-C289 WeakPolarHBondContact CB-SG 3.38Å; C284-C289 WeakPolarHBondContact O-CB 3.17Å; C284-C289 WeakPolarHBondContact SG-CB 3.39Å; C284-C289 CovalentContact SG-SG 2.05Å; C284-C289 PolarHBondContact SG-SG 3.15Å; C284-T322 HydrophobicContact CB-CG2 3.77Å | ||
| 285 | D | 56.6 | Low | 53.2 | Low | 121 Ų | 121 | 96.4 Ų | 96.4 | 65% | 0.647 | 48% | 0.483 | S | S | * | . | trans | -69.9 | 26.3 | 176.4 | -35.3 | -56.9 | 0 | 0 | 0 | 113 | T283 | T283-D285 PolarHBondContact O-N 2.87Å; T283-D285 VanDerWaalsContact O-N 3.15Å | ||
| 286 | C | 63.6 | Low | 55.1 | Low | 12 Ų | 12 | 93.2 Ų | 93.2 | 8% | 0.081 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -83.5 | 145 | 175.7 | 78 | 0 | 0 | 0 | 0 | 109.9 | C284 N288 C289 Q290 H308 L325 | C284-C286 PolarHBondContact O-N 3.31Å; C286-N288 PolarHBondContact O-N 3.36Å; C286-C289 WeakPolarHBondContact O-CB 3.46Å; C286-C289 PolarHBondContact O-N 2.81Å; C286-C289 VanDerWaalsContact SG-CB 3.57Å; C286-C289 PolarHBondContact SG-N 2.92Å; C286-C289 VanDerWaalsContact SG-N 3.43Å; C286-C289 PolarHBondContact SG-SG 3.47Å; C286-Q290 PolarHBondContact O-N 3.3Å; C286-H308 PolarHBondContact SG-ND1 3.32Å; C286-L325 HydrophobicContact CB-CD2 3.8Å |
| 287 | P | 66.1 | Low | 56.8 | Low | 48 Ų | 48 | 88.5 Ų | 88.5 | 31% | 0.312 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -53.7 | -35.6 | -175.6 | -29.3 | 35.9 | 0 | 0 | 0 | 113.4 | Q290 E291 H311 | P287-Q290 PolarHBondContact O-N 2.78Å; P287-E291 WeakPolarHBondContact O-CB 3.49Å; P287-E291 PolarHBondContact O-N 2.97Å; P287-H311 HydrophobicContact CB-CB 4.27Å; P287-H311 HydrophobicContact CG-CB 3.95Å |
| 288 | N | 62.5 | Low | 58.1 | Low | 25 Ų | 25 | 81.5 Ų | 81.5 | 13% | 0.134 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -72.1 | -30.2 | 178 | -161.1 | 14.7 | 0 | 0 | 0 | 113.7 | C286 A292 L302 L307 | C286-N288 PolarHBondContact O-N 3.36Å; N288-A292 WeakPolarHBondContact O-CB 3.39Å; N288-A292 PolarHBondContact O-N 3.07Å; N288-L302 WeakPolarHBondContact OD1-CD2 3.23Å; N288-L307 PolarHBondContact ND2-O 3.05Å |
| 289 | C | 64.6 | Low | 59.6 | Low | 11 Ų | 11 | 72 Ų | 72 | 7% | 0.074 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -75.6 | -39.7 | 172.7 | -81.3 | 0 | 0 | 0 | 0 | 111.6 | C284 C286 A292 E293 | C284-C289 HydrophobicContact CB-CB 3.86Å; C284-C289 WeakPolarHBondContact CB-SG 3.38Å; C284-C289 WeakPolarHBondContact O-CB 3.17Å; C284-C289 WeakPolarHBondContact SG-CB 3.39Å; C284-C289 CovalentContact SG-SG 2.05Å; C284-C289 PolarHBondContact SG-SG 3.15Å; C286-C289 WeakPolarHBondContact O-CB 3.46Å; C286-C289 PolarHBondContact O-N 2.81Å; C286-C289 VanDerWaalsContact SG-CB 3.57Å; C286-C289 PolarHBondContact SG-N 2.92Å; C286-C289 VanDerWaalsContact SG-N 3.43Å; C286-C289 PolarHBondContact SG-SG 3.47Å; C289-A292 PolarHBondContact O-N 2.98Å; C289-E293 VanDerWaalsContact O-CB 3.27Å; C289-E293 WeakPolarHBondContact O-CB 3.37Å; C289-E293 PolarHBondContact O-N 2.83Å |
| 290 | Q | 67.8 | Low | 60.8 | Low | 136 Ų | 136 | 68.1 Ų | 68.1 | 64% | 0.636 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64.1 | -42.9 | 175.1 | -172.6 | 178.9 | 11 | 0 | 0 | 111 | C286 P287 E293 R294 | C286-Q290 PolarHBondContact O-N 3.3Å; P287-Q290 PolarHBondContact O-N 2.78Å; Q290-E293 WeakPolarHBondContact O-CB 3.34Å; Q290-E293 PolarHBondContact O-N 3.34Å; Q290-R294 WeakPolarHBondContact O-CB 3.3Å; Q290-R294 PolarHBondContact O-N 3.46Å |
| 291 | E | 65.3 | Low | 62 | Low | 67 Ų | 67 | 69.1 Ų | 69.1 | 31% | 0.313 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.2 | -42.4 | 174.2 | -177.7 | 60 | -168.3 | 0 | 0 | 111.7 | P287 E293 R294 L295 | P287-E291 WeakPolarHBondContact O-CB 3.49Å; P287-E291 PolarHBondContact O-N 2.97Å; E291-E293 PolarHBondContact O-N 3.42Å; E291-R294 PolarHBondContact O-N 2.72Å; E291-R294 IonicContact OE1-CZ 3.41Å; E291-R294 IonicContact OE1-NE 3.72Å; E291-R294 PolarHBondContact OE1-NE 3.4Å; E291-R294 IonicContact OE1-NH2 3.74Å; E291-R294 PolarHBondContact OE1-NH2 3.13Å; E291-R294 IonicContact OE2-CZ 3.53Å; E291-R294 IonicContact OE2-NE 3.15Å; E291-R294 PolarHBondContact OE2-NE 3.24Å; E291-R294 IonicContact OE2-NH2 2.8Å; E291-R294 PolarHBondContact OE2-NH2 2.76Å; E291-L295 HydrophobicContact CG-CD1 3.93Å; E291-L295 HydrophobicContact CG-CG 4.42Å; E291-L295 VanDerWaalsContact O-CB 3.32Å; E291-L295 WeakPolarHBondContact O-CB 3.44Å; E291-L295 VanDerWaalsContact O-CG 3.26Å; E291-L295 WeakPolarHBondContact O-CG 3.39Å; E291-L295 PolarHBondContact O-N 3Å; E291-L295 WeakPolarHBondContact OE1-CD1 3.49Å |
| 292 | A | 66.5 | Low | 63 | Low | 2 Ų | 2 | 65 Ų | 65 | 2% | 0.017 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.7 | -16.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N288 C289 L302 R303 | N288-A292 WeakPolarHBondContact O-CB 3.39Å; N288-A292 PolarHBondContact O-N 3.07Å; C289-A292 PolarHBondContact O-N 2.98Å; A292-L302 HydrophobicContact CB-CB 4.08Å; A292-R303 HydrophobicContact CB-CG 3.89Å |
| 293 | E | 70.7 | Confident | 63.8 | Low | 98 Ų | 98 | 66.3 Ų | 66.3 | 46% | 0.458 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -83.2 | -46 | 170.3 | -177.3 | 121.9 | -131.1 | 0 | 0 | 110.4 | R281 C289 Q290 E291 L295 G296 R303 | R281-E293 IonicContact CZ-OE1 3.58Å; R281-E293 IonicContact CZ-OE2 3.5Å; R281-E293 IonicContact NH1-OE1 3.42Å; R281-E293 PolarHBondContact NH1-OE1 3.4Å; R281-E293 IonicContact NH1-OE2 2.76Å; R281-E293 PolarHBondContact NH1-OE2 3.14Å; R281-E293 IonicContact NH2-OE1 2.68Å; R281-E293 PolarHBondContact NH2-OE1 2.84Å; R281-E293 IonicContact NH2-OE2 3.88Å; C289-E293 VanDerWaalsContact O-CB 3.27Å; C289-E293 WeakPolarHBondContact O-CB 3.37Å; C289-E293 PolarHBondContact O-N 2.83Å; Q290-E293 WeakPolarHBondContact O-CB 3.34Å; Q290-E293 PolarHBondContact O-N 3.34Å; E291-E293 PolarHBondContact O-N 3.42Å; E293-L295 VanDerWaalsContact C-N 3.28Å; E293-L295 PolarHBondContact O-N 2.9Å; E293-G296 PolarHBondContact O-N 2.96Å; E293-G296 VanDerWaalsContact O-N 3.08Å; E293-R303 IonicContact OE2-NH2 3.57Å |
| 294 | R | 72 | Confident | 64.2 | Low | 171 Ų | 171 | 71.8 Ų | 71.8 | 65% | 0.645 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -58.3 | -36.3 | 172.8 | -165.2 | -169 | 71 | 76.9 | -2.8 | 113 | Q290 E291 | Q290-R294 WeakPolarHBondContact O-CB 3.3Å; Q290-R294 PolarHBondContact O-N 3.46Å; E291-R294 PolarHBondContact O-N 2.72Å; E291-R294 IonicContact OE1-CZ 3.41Å; E291-R294 IonicContact OE1-NE 3.72Å; E291-R294 PolarHBondContact OE1-NE 3.4Å; E291-R294 IonicContact OE1-NH2 3.74Å; E291-R294 PolarHBondContact OE1-NH2 3.13Å; E291-R294 IonicContact OE2-CZ 3.53Å; E291-R294 IonicContact OE2-NE 3.15Å; E291-R294 PolarHBondContact OE2-NE 3.24Å; E291-R294 IonicContact OE2-NH2 2.8Å; E291-R294 PolarHBondContact OE2-NH2 2.76Å |
| 295 | L | 72.6 | Confident | 64.7 | Low | 61 Ų | 61 | 77.2 Ų | 77.2 | 32% | 0.319 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -3 | 178 | -66.7 | 175.3 | 0 | 0 | 0 | 113.9 | E291 E293 A298 G299 L302 | E291-L295 HydrophobicContact CG-CD1 3.93Å; E291-L295 HydrophobicContact CG-CG 4.42Å; E291-L295 VanDerWaalsContact O-CB 3.32Å; E291-L295 WeakPolarHBondContact O-CB 3.44Å; E291-L295 VanDerWaalsContact O-CG 3.26Å; E291-L295 WeakPolarHBondContact O-CG 3.39Å; E291-L295 PolarHBondContact O-N 3Å; E291-L295 WeakPolarHBondContact OE1-CD1 3.49Å; E293-L295 VanDerWaalsContact C-N 3.28Å; E293-L295 PolarHBondContact O-N 2.9Å; L295-A298 WeakPolarHBondContact O-CB 3.38Å; L295-A298 PolarHBondContact O-N 2.73Å; L295-G299 PolarHBondContact O-N 3.49Å; L295-L302 HydrophobicContact CD1-CD1 4.09Å |
| 296 | G | 74.2 | Confident | 65.1 | Low | 34 Ų | 34 | 73 Ų | 73 | 35% | 0.351 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | 50 | -128.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | E293 A298 G299 | E293-G296 PolarHBondContact O-N 2.96Å; E293-G296 VanDerWaalsContact O-N 3.08Å; G296-A298 VanDerWaalsContact C-N 3.28Å; G296-A298 PolarHBondContact O-N 3.23Å; G296-G299 WeakPolarHBondContact O-CA 3.38Å; G296-G299 PolarHBondContact O-N 2.85Å |
| 297 | P | 72.1 | Confident | 65.5 | Low | 128 Ų | 128 | 76.3 Ų | 76.3 | 83% | 0.831 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -57.8 | -32.9 | 178.3 | -25.5 | 35.3 | 0 | 0 | 0 | 114.6 | G299 A300 | P297-G299 VanDerWaalsContact C-N 3.29Å; P297-G299 PolarHBondContact O-N 2.85Å; P297-A300 WeakPolarHBondContact O-CB 3.21Å; P297-A300 PolarHBondContact O-N 3.39Å |
| 298 | A | 65.9 | Low | 65.9 | Low | 78 Ų | 78 | 75.1 Ų | 75.1 | 65% | 0.645 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -68.8 | -30.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L295 G296 A300 | L295-A298 WeakPolarHBondContact O-CB 3.38Å; L295-A298 PolarHBondContact O-N 2.73Å; G296-A298 VanDerWaalsContact C-N 3.28Å; G296-A298 PolarHBondContact O-N 3.23Å; A298-A300 PolarHBondContact O-N 2.86Å |
| 299 | G | 61 | Low | 66.5 | Low | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -68.8 | -10.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L295 G296 P297 S301 L302 R303 | L295-G299 PolarHBondContact O-N 3.49Å; G296-G299 WeakPolarHBondContact O-CA 3.38Å; G296-G299 PolarHBondContact O-N 2.85Å; P297-G299 VanDerWaalsContact C-N 3.29Å; P297-G299 PolarHBondContact O-N 2.85Å; G299-S301 PolarHBondContact O-N 2.79Å; G299-S301 VanDerWaalsContact O-N 3.13Å; G299-L302 WeakPolarHBondContact O-CB 3.49Å; G299-L302 PolarHBondContact O-N 2.94Å; G299-R303 PolarHBondContact O-N 2.89Å |
| 300 | A | 63.2 | Low | 67.1 | Low | 38 Ų | 38 | 76.5 Ų | 76.5 | 31% | 0.314 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.1 | -21.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | P297 A298 R304 | P297-A300 WeakPolarHBondContact O-CB 3.21Å; P297-A300 PolarHBondContact O-N 3.39Å; A298-A300 PolarHBondContact O-N 2.86Å; A300-R304 WeakPolarHBondContact O-CB 3.37Å; A300-R304 PolarHBondContact O-N 3.23Å; A300-R304 VanDerWaalsContact O-N 3.1Å |
| 301 | S | 61.3 | Low | 67.2 | Low | 59 Ų | 59 | 77 Ų | 77 | 41% | 0.413 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -72.5 | -35.4 | 174.1 | 78.3 | 0 | 0 | 0 | 0 | 112.5 | G299 R304 K305 | G299-S301 PolarHBondContact O-N 2.79Å; G299-S301 VanDerWaalsContact O-N 3.13Å; S301-R304 PolarHBondContact O-N 3.32Å; S301-K305 PolarHBondContact O-N 3.25Å |
| 302 | L | 60.4 | Low | 67.7 | Low | 57 Ų | 57 | 76.5 Ų | 76.5 | 30% | 0.298 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70.3 | -39.3 | 176.9 | -66.4 | 155.4 | 0 | 0 | 0 | 110.4 | N288 A292 L295 G299 K305 | N288-L302 WeakPolarHBondContact OD1-CD2 3.23Å; A292-L302 HydrophobicContact CB-CB 4.08Å; L295-L302 HydrophobicContact CD1-CD1 4.09Å; G299-L302 WeakPolarHBondContact O-CB 3.49Å; G299-L302 PolarHBondContact O-N 2.94Å; L302-K305 PolarHBondContact O-N 2.72Å |
| 303 | R | 58.3 | Low | 67 | Low | 109 Ų | 109 | 82.4 Ų | 82.4 | 41% | 0.411 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 170.2 | -72.9 | 179.3 | 174.4 | -113.9 | -5.1 | 112.8 | A292 E293 G299 | A292-R303 HydrophobicContact CB-CG 3.89Å; E293-R303 IonicContact OE2-NH2 3.57Å; G299-R303 PolarHBondContact O-N 2.89Å |
| 304 | R | 54.4 | Low | 66.7 | Low | 209 Ų | 209 | 82 Ų | 82 | 79% | 0.789 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -72.2 | -25.2 | -179.4 | -85.3 | -169.8 | -75.3 | 177.8 | -4.9 | 115 | A300 S301 G306 | A300-R304 WeakPolarHBondContact O-CB 3.37Å; A300-R304 PolarHBondContact O-N 3.23Å; A300-R304 VanDerWaalsContact O-N 3.1Å; S301-R304 PolarHBondContact O-N 3.32Å; R304-G306 VanDerWaalsContact C-N 3.29Å; R304-G306 PolarHBondContact O-N 2.86Å |
| 305 | K | 60.2 | Low | 66.7 | Low | 158 Ų | 158 | 75 Ų | 75 | 69% | 0.687 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -13 | 179.9 | -75.4 | 177.7 | 178.1 | 178.4 | 0 | 113.9 | S301 L302 L307 | S301-K305 PolarHBondContact O-N 3.25Å; L302-K305 PolarHBondContact O-N 2.72Å; K305-L307 HydrophobicContact CB-CB 4.21Å; K305-L307 WeakPolarHBondContact O-CB 3.5Å; K305-L307 PolarHBondContact O-N 2.91Å |
| 306 | G | 65 | Low | 66.7 | Low | 32 Ų | 32 | 75.2 Ų | 75.2 | 33% | 0.33 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 17.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R304 H308 G320 | R304-G306 VanDerWaalsContact C-N 3.29Å; R304-G306 PolarHBondContact O-N 2.86Å; G306-H308 PolarHBondContact O-CD2 2.79Å; G306-G320 CarbonylContact O-C 3.6Å; G306-G320 VanDerWaalsContact O-CA 3.23Å; G306-G320 WeakPolarHBondContact O-CA 3.34Å |
| 307 | L | 70.7 | Confident | 66.8 | Low | 81 Ų | 81 | 78.6 Ų | 78.6 | 42% | 0.424 | 46% | 0.462 | S | S | . | . | trans | -119.7 | 117.5 | -160.8 | -173.7 | 63.3 | 0 | 0 | 0 | 109.7 | N288 K305 V318 | N288-L307 PolarHBondContact ND2-O 3.05Å; K305-L307 HydrophobicContact CB-CB 4.21Å; K305-L307 WeakPolarHBondContact O-CB 3.5Å; K305-L307 PolarHBondContact O-N 2.91Å; L307-V318 HydrophobicContact CD1-CB 4.11Å; L307-V318 HydrophobicContact CD1-CG1 3.43Å; L307-V318 VanDerWaalsContact CD1-CG1 3.43Å; L307-V318 HydrophobicContact CD2-CG1 3.95Å; L307-V318 HydrophobicContact CG-CB 4.49Å; L307-V318 HydrophobicContact CG-CG1 3.39Å | ||
| 308 | H | 75.4 | Confident | 67.1 | Low | 23 Ų | 23 | 76.1 Ų | 76.1 | 11% | 0.106 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 109.6 | -169.6 | -54 | -85.9 | 0 | 0 | 0 | 109.8 | C286 G306 Y319 T322 L325 | C286-H308 PolarHBondContact SG-ND1 3.32Å; G306-H308 PolarHBondContact O-CD2 2.79Å; H308-Y319 PolarHBondContact CD2-O 3.5Å; H308-Y319 PolarHBondContact N-O 3.2Å; H308-Y319 PolarHBondContact O-N 3.18Å; H308-T322 WeakPolarHBondContact CE1-CG2 3.45Å; H308-T322 WeakPolarHBondContact NE2-CG2 3.2Å; H308-L325 HydrophobicContact CB-CB 4.05Å; H308-L325 HydrophobicContact CB-CD2 3.6Å; H308-L325 HydrophobicContact CB-CG 4.42Å |
| 309 | S | 74.7 | Confident | 67.7 | Low | 54 Ų | 54 | 75 Ų | 75 | 38% | 0.378 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 148.4 | 177.7 | 41.6 | 0 | 0 | 0 | 0 | 112.4 | L325 | S309-L325 WeakPolarHBondContact O-CD2 3.37Å |
| 310 | C | 76.8 | Confident | 68.6 | Low | 12 Ų | 12 | 77.8 Ų | 77.8 | 8% | 0.081 | 45% | 0.453 | C | S | . | . | trans | -73.7 | 126.4 | 162.9 | -169 | 0 | 0 | 0 | 0 | 109.4 | I312 C315 K317 L325 H328 | C310-I312 VanDerWaalsContact C-N 3.3Å; C310-C315 HydrophobicContact CB-CB 4.33Å; C310-K317 PolarHBondContact N-O 2.79Å; C310-L325 HydrophobicContact CB-CD1 4.18Å; C310-H328 WeakPolarHBondContact CB-NE2 3.18Å; C310-H328 PolarHBondContact SG-NE2 3.42Å | ||
| 311 | H | 71.1 | Confident | 69.2 | Low | 147 Ų | 147 | 82 Ų | 82 | 68% | 0.681 | 47% | 0.465 | S | S | * | . | trans | -79.4 | -12.9 | 179 | 178 | 59.4 | 0 | 0 | 0 | 113 | P287 | P287-H311 HydrophobicContact CB-CB 4.27Å; P287-H311 HydrophobicContact CG-CB 3.95Å | ||
| 312 | I | 74.6 | Confident | 69.9 | Low | 56 Ų | 56 | 82.1 Ų | 82.1 | 29% | 0.287 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -75.2 | 125.2 | -170.5 | -62.9 | 176.2 | 0 | 0 | 0 | 109.7 | C310 G314 C315 L329 H332 | C310-I312 VanDerWaalsContact C-N 3.3Å; I312-G314 PolarHBondContact O-N 3.04Å; I312-C315 WeakPolarHBondContact O-CB 3.46Å; I312-C315 PolarHBondContact O-N 3.1Å; I312-C315 VanDerWaalsContact O-N 3.13Å; I312-L329 HydrophobicContact CD1-CD2 3.97Å; I312-L329 HydrophobicContact CG1-CD2 4.45Å; I312-H332 HydrophobicContact CD1-CB 3.28Å; I312-H332 VanDerWaalsContact CD1-CG 3.43Å |
| 313 | P | 53.1 | Low | 70.7 | Confident | 125 Ų | 125 | 82.8 Ų | 82.8 | 81% | 0.812 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 138.4 | -174.3 | 23.1 | -33.8 | 0 | 0 | 0 | 111.1 | C315 | P313-C315 VanDerWaalsContact C-N 3.31Å; P313-C315 PolarHBondContact O-N 3.44Å |
| 314 | G | 62.9 | Low | 71.6 | Confident | 91 Ų | 91 | 81.7 Ų | 81.7 | 94% | 0.938 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | -12.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | I312 | I312-G314 PolarHBondContact O-N 3.04Š|
| 315 | C | 72.7 | Confident | 72.8 | Confident | 23 Ų | 23 | 71.8 Ų | 71.8 | 16% | 0.155 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -49.9 | -178.4 | -171 | 0 | 0 | 0 | 0 | 114 | C310 I312 P313 K317 H328 H332 | C310-C315 HydrophobicContact CB-CB 4.33Å; I312-C315 WeakPolarHBondContact O-CB 3.46Å; I312-C315 PolarHBondContact O-N 3.1Å; I312-C315 VanDerWaalsContact O-N 3.13Å; P313-C315 VanDerWaalsContact C-N 3.31Å; P313-C315 PolarHBondContact O-N 3.44Å; C315-K317 PolarHBondContact O-N 3.43Å; C315-H328 PolarHBondContact SG-CE1 3.06Å; C315-H328 PolarHBondContact SG-NE2 3.49Å; C315-H332 PolarHBondContact SG-NE2 3.31Å |
| 316 | G | 73.1 | Confident | 73.4 | Confident | 65 Ų | 65 | 70.1 Ų | 70.1 | 67% | 0.67 | 43% | 0.427 | S | S | * | . | trans | 61.8 | 0.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | V318 | G316-V318 WeakPolarHBondContact O-CG2 3.46Š| ||
| 317 | K | 75.1 | Confident | 73.9 | Confident | 105 Ų | 105 | 69.5 Ų | 69.5 | 46% | 0.457 | 42% | 0.419 | S | S | . | . | trans | -72.2 | 145.1 | -176.3 | -62.9 | -178 | -159 | -64.1 | 0 | 111.8 | C310 C315 Y319 | C310-K317 PolarHBondContact N-O 2.79Å; C315-K317 PolarHBondContact O-N 3.43Å; K317-Y319 HydrophobicContact CB-CE2 3.67Å; K317-Y319 VanDerWaalsContact CD-OH 3.3Å; K317-Y319 WeakPolarHBondContact CD-OH 3.18Å | ||
| 318 | V | 79.2 | Confident | 74.2 | Confident | 76 Ų | 76 | 66.6 Ų | 66.6 | 46% | 0.461 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 138 | -174.5 | -150.7 | 0 | 0 | 0 | 0 | 110.7 | L307 G316 | L307-V318 HydrophobicContact CD1-CB 4.11Å; L307-V318 HydrophobicContact CD1-CG1 3.43Å; L307-V318 VanDerWaalsContact CD1-CG1 3.43Å; L307-V318 HydrophobicContact CD2-CG1 3.95Å; L307-V318 HydrophobicContact CG-CB 4.49Å; L307-V318 HydrophobicContact CG-CG1 3.39Å; G316-V318 WeakPolarHBondContact O-CG2 3.46Å |
| 319 | Y | 79.6 | Confident | 74 | Confident | 54 Ų | 54 | 67.5 Ų | 67.5 | 21% | 0.212 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 129.2 | -167.7 | -63 | -84.6 | 0 | 0 | 0 | 112.4 | H308 K317 K321 H324 L325 H328 | H308-Y319 PolarHBondContact CD2-O 3.5Å; H308-Y319 PolarHBondContact N-O 3.2Å; H308-Y319 PolarHBondContact O-N 3.18Å; K317-Y319 HydrophobicContact CB-CE2 3.67Å; K317-Y319 VanDerWaalsContact CD-OH 3.3Å; K317-Y319 WeakPolarHBondContact CD-OH 3.18Å; Y319-K321 PolarHBondContact O-N 2.68Å; Y319-H324 HydrophobicContact CD1-CB 3.71Å; Y319-H324 HydrophobicContact CG-CB 4.14Å; Y319-L325 HydrophobicContact CD2-CB 4.15Å; Y319-L325 HydrophobicContact CD2-CD1 3.95Å; Y319-L325 HydrophobicContact CE2-CD1 4.33Å; Y319-L325 HydrophobicContact CG-CB 4.44Å; Y319-H328 HydrophobicContact CE1-CB 4.35Å; Y319-H328 HydrophobicContact CE2-CB 3.75Å; Y319-H328 AromaticContact CE2-CD2 3.34Å; Y319-H328 WeakPolarHBondContact CE2-CD2 3.5Å; Y319-H328 AromaticContact CE2-CG 3.58Å; Y319-H328 AromaticContact CZ-CD2 3.84Å; Y319-H328 AromaticContact CZ-CG 3.59Å; Y319-H328 PolarHBondContact OH-ND1 2.77Å |
| 320 | G | 78 | Confident | 73.8 | Confident | 60 Ų | 60 | 67.7 Ų | 67.7 | 62% | 0.619 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -71.9 | 9.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | G306 | G306-G320 CarbonylContact O-C 3.6Å; G306-G320 VanDerWaalsContact O-CA 3.23Å; G306-G320 WeakPolarHBondContact O-CA 3.34Å |
| 321 | K | 76.6 | Confident | 73.2 | Confident | 126 Ų | 126 | 74.4 Ų | 74.4 | 55% | 0.548 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -149.6 | 135.3 | -179.4 | -64.3 | -173.5 | -179 | -179.9 | 0 | 110.9 | Y319 S323 H324 L325 | Y319-K321 PolarHBondContact O-N 2.68Å; K321-S323 VanDerWaalsContact C-N 3.29Å; K321-S323 PolarHBondContact O-N 3.15Å; K321-H324 HydrophobicContact CB-CB 4.37Å; K321-H324 PolarHBondContact O-N 2.76Å; K321-H324 VanDerWaalsContact O-N 3.15Å; K321-L325 PolarHBondContact O-N 2.87Å |
| 322 | T | 75.9 | Confident | 73 | Confident | 61 Ų | 61 | 70.2 Ų | 70.2 | 37% | 0.374 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -55.8 | -40.4 | 174.5 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | C284 H308 H324 L325 K326 | C284-T322 HydrophobicContact CB-CG2 3.77Å; H308-T322 WeakPolarHBondContact CE1-CG2 3.45Å; H308-T322 WeakPolarHBondContact NE2-CG2 3.2Å; T322-H324 VanDerWaalsContact C-N 3.3Å; T322-H324 PolarHBondContact O-N 2.75Å; T322-L325 PolarHBondContact O-N 3.33Å; T322-K326 WeakPolarHBondContact O-CB 3.46Å; T322-K326 PolarHBondContact O-N 3.42Å |
| 323 | S | 76.9 | Confident | 72.5 | Confident | 71 Ų | 71 | 71.4 Ų | 71.4 | 50% | 0.497 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.6 | -35.5 | 178.6 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | K321 A327 | K321-S323 VanDerWaalsContact C-N 3.29Å; K321-S323 PolarHBondContact O-N 3.15Å; S323-A327 WeakPolarHBondContact O-CB 3.48Å; S323-A327 PolarHBondContact O-N 3.09Å |
| 324 | H | 78.3 | Confident | 72.8 | Confident | 86 Ų | 86 | 67.9 Ų | 67.9 | 40% | 0.398 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -73.3 | -40.6 | 176.7 | -68.9 | -170.9 | 0 | 0 | 0 | 111.3 | Y319 K321 T322 A327 H328 | Y319-H324 HydrophobicContact CD1-CB 3.71Å; Y319-H324 HydrophobicContact CG-CB 4.14Å; K321-H324 HydrophobicContact CB-CB 4.37Å; K321-H324 PolarHBondContact O-N 2.76Å; K321-H324 VanDerWaalsContact O-N 3.15Å; T322-H324 VanDerWaalsContact C-N 3.3Å; T322-H324 PolarHBondContact O-N 2.75Å; H324-A327 PolarHBondContact O-N 3.16Å; H324-H328 WeakPolarHBondContact O-CB 3.44Å; H324-H328 PolarHBondContact O-N 3.37Å |
| 325 | L | 78.3 | Confident | 72.5 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 172.3 | 177.2 | 62.4 | 0 | 0 | 0 | 111.2 | C286 H308 S309 C310 Y319 K321 T322 A327 H328 L329 | C286-L325 HydrophobicContact CB-CD2 3.8Å; H308-L325 HydrophobicContact CB-CB 4.05Å; H308-L325 HydrophobicContact CB-CD2 3.6Å; H308-L325 HydrophobicContact CB-CG 4.42Å; S309-L325 WeakPolarHBondContact O-CD2 3.37Å; C310-L325 HydrophobicContact CB-CD1 4.18Å; Y319-L325 HydrophobicContact CD2-CB 4.15Å; Y319-L325 HydrophobicContact CD2-CD1 3.95Å; Y319-L325 HydrophobicContact CE2-CD1 4.33Å; Y319-L325 HydrophobicContact CG-CB 4.44Å; K321-L325 PolarHBondContact O-N 2.87Å; T322-L325 PolarHBondContact O-N 3.33Å; L325-A327 VanDerWaalsContact C-N 3.33Å; L325-A327 PolarHBondContact O-N 3.05Å; L325-H328 CarbonylContact O-C 3.33Å; L325-H328 WeakPolarHBondContact O-CA 3.29Å; L325-H328 WeakPolarHBondContact O-CB 3.11Å; L325-H328 PolarHBondContact O-N 2.82Å; L325-L329 HydrophobicContact CD1-CD1 4.19Å; L325-L329 HydrophobicContact CD1-CD2 4.38Å; L325-L329 HydrophobicContact CD1-CG 3.97Å; L325-L329 HydrophobicContact CD2-CD1 4.45Å; L325-L329 HydrophobicContact CG-CD1 3.94Å; L325-L329 HydrophobicContact CG-CG 4.21Å; L325-L329 WeakPolarHBondContact O-CG 3.31Å; L325-L329 PolarHBondContact O-N 3.44Å |
| 326 | K | 74.6 | Confident | 72 | Confident | 123 Ų | 123 | 74.3 Ų | 74.3 | 54% | 0.535 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 178.8 | -166.8 | 162.6 | -172.4 | 162.4 | 0 | 112 | T322 H328 R330 | T322-K326 WeakPolarHBondContact O-CB 3.46Å; T322-K326 PolarHBondContact O-N 3.42Å; K326-H328 VanDerWaalsContact C-N 3.35Å; K326-R330 PolarHBondContact O-N 3.37Å |
| 327 | A | 73.9 | Confident | 71.6 | Confident | 19 Ų | 19 | 74.5 Ų | 74.5 | 16% | 0.157 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.4 | -32.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S323 H324 L325 R351 | S323-A327 WeakPolarHBondContact O-CB 3.48Å; S323-A327 PolarHBondContact O-N 3.09Å; H324-A327 PolarHBondContact O-N 3.16Å; L325-A327 VanDerWaalsContact C-N 3.33Å; L325-A327 PolarHBondContact O-N 3.05Å; A327-R351 HydrophobicContact CB-CG 4.22Å |
| 328 | H | 77.6 | Confident | 71.1 | Confident | 20 Ų | 20 | 72 Ų | 72 | 9% | 0.093 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -74.2 | -41 | 175.4 | 167.2 | 51.9 | 0 | 0 | 0 | 112.7 | C310 C315 Y319 H324 L325 K326 R330 W331 H332 | C310-H328 WeakPolarHBondContact CB-NE2 3.18Å; C310-H328 PolarHBondContact SG-NE2 3.42Å; C315-H328 PolarHBondContact SG-CE1 3.06Å; C315-H328 PolarHBondContact SG-NE2 3.49Å; Y319-H328 HydrophobicContact CE1-CB 4.35Å; Y319-H328 HydrophobicContact CE2-CB 3.75Å; Y319-H328 AromaticContact CE2-CD2 3.34Å; Y319-H328 WeakPolarHBondContact CE2-CD2 3.5Å; Y319-H328 AromaticContact CE2-CG 3.58Å; Y319-H328 AromaticContact CZ-CD2 3.84Å; Y319-H328 AromaticContact CZ-CG 3.59Å; Y319-H328 PolarHBondContact OH-ND1 2.77Å; H324-H328 WeakPolarHBondContact O-CB 3.44Å; H324-H328 PolarHBondContact O-N 3.37Å; L325-H328 CarbonylContact O-C 3.33Å; L325-H328 WeakPolarHBondContact O-CA 3.29Å; L325-H328 WeakPolarHBondContact O-CB 3.11Å; L325-H328 PolarHBondContact O-N 2.82Å; K326-H328 VanDerWaalsContact C-N 3.35Å; H328-R330 PolarHBondContact O-N 3.27Å; H328-W331 VanDerWaalsContact O-CB 3.24Å; H328-W331 WeakPolarHBondContact O-CB 3.01Å; H328-W331 PolarHBondContact O-N 3.48Å; H328-H332 AromaticContact CE1-CD2 3.57Å; H328-H332 AromaticContact CE1-NE2 3.22Å; H328-H332 PolarHBondContact CE1-NE2 3.07Å; H328-H332 AromaticContact NE2-CD2 3.7Å; H328-H332 AromaticContact NE2-NE2 3.34Å; H328-H332 PolarHBondContact NE2-NE2 3.16Å |
| 329 | L | 71.7 | Confident | 70.5 | Confident | 43 Ų | 43 | 71.6 Ų | 71.6 | 23% | 0.225 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.4 | -32.6 | 177.9 | -71.7 | 169.8 | 0 | 0 | 0 | 112 | I312 L325 W331 H332 T333 | I312-L329 HydrophobicContact CD1-CD2 3.97Å; I312-L329 HydrophobicContact CG1-CD2 4.45Å; L325-L329 HydrophobicContact CD1-CD1 4.19Å; L325-L329 HydrophobicContact CD1-CD2 4.38Å; L325-L329 HydrophobicContact CD1-CG 3.97Å; L325-L329 HydrophobicContact CD2-CD1 4.45Å; L325-L329 HydrophobicContact CG-CD1 3.94Å; L325-L329 HydrophobicContact CG-CG 4.21Å; L325-L329 WeakPolarHBondContact O-CG 3.31Å; L325-L329 PolarHBondContact O-N 3.44Å; L329-W331 PolarHBondContact O-N 3.28Å; L329-H332 WeakPolarHBondContact O-CB 3.35Å; L329-H332 PolarHBondContact O-N 2.84Å; L329-T333 PolarHBondContact O-N 3.06Å; L329-T333 PolarHBondContact O-OG1 3.07Å |
| 330 | R | 71.1 | Confident | 70.4 | Confident | 57 Ų | 57 | 69.2 Ų | 69.2 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.6 | -22.7 | 171.4 | -72.5 | 177.2 | -179.5 | 159.5 | -0.7 | 115.1 | K326 H328 H332 T333 G334 E335 T350 | K326-R330 PolarHBondContact O-N 3.37Å; H328-R330 PolarHBondContact O-N 3.27Å; R330-H332 VanDerWaalsContact C-N 3.35Å; R330-T333 WeakPolarHBondContact CA-OG1 3.13Å; R330-G334 PolarHBondContact O-N 3.28Å; R330-E335 HydrophobicContact CG-CB 4.34Å; R330-E335 PolarHBondContact O-N 3.46Å; R330-T350 HydrophobicContact CB-CG2 4.34Å; R330-T350 VanDerWaalsContact CD-O 3.28Å; R330-T350 WeakPolarHBondContact CD-O 3.3Å; R330-T350 PolarHBondContact NH1-O 2.05Å |
| 331 | W | 64.1 | Low | 69.9 | Low | 154 Ų | 154 | 74.1 Ų | 74.1 | 58% | 0.583 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -70.4 | -35.4 | 172 | 179.6 | 74.4 | 0 | 0 | 0 | 111.3 | H328 L329 | H328-W331 VanDerWaalsContact O-CB 3.24Å; H328-W331 WeakPolarHBondContact O-CB 3.01Å; H328-W331 PolarHBondContact O-N 3.48Å; L329-W331 PolarHBondContact O-N 3.28Å |
| 332 | H | 65.9 | Low | 69.5 | Low | 58 Ų | 58 | 74 Ų | 74 | 27% | 0.269 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -81.9 | -37.1 | 177.8 | -68.5 | -81.1 | 0 | 0 | 0 | 113.5 | I312 C315 H328 L329 R330 G334 | I312-H332 HydrophobicContact CD1-CB 3.28Å; I312-H332 VanDerWaalsContact CD1-CG 3.43Å; C315-H332 PolarHBondContact SG-NE2 3.31Å; H328-H332 AromaticContact CE1-CD2 3.57Å; H328-H332 AromaticContact CE1-NE2 3.22Å; H328-H332 PolarHBondContact CE1-NE2 3.07Å; H328-H332 AromaticContact NE2-CD2 3.7Å; H328-H332 AromaticContact NE2-NE2 3.34Å; H328-H332 PolarHBondContact NE2-NE2 3.16Å; L329-H332 WeakPolarHBondContact O-CB 3.35Å; L329-H332 PolarHBondContact O-N 2.84Å; R330-H332 VanDerWaalsContact C-N 3.35Å; H332-G334 VanDerWaalsContact C-N 3.26Å; H332-G334 PolarHBondContact O-N 3.28Å |
| 333 | T | 63.8 | Low | 68.7 | Low | 81 Ų | 81 | 78.4 Ų | 78.4 | 50% | 0.497 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -79.6 | -7.2 | 178.8 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | L329 R330 E335 | L329-T333 PolarHBondContact O-N 3.06Å; L329-T333 PolarHBondContact O-OG1 3.07Å; R330-T333 WeakPolarHBondContact CA-OG1 3.13Å; T333-E335 PolarHBondContact O-N 3.02Å; T333-E335 VanDerWaalsContact O-N 3.1Å; T333-E335 WeakPolarHBondContact OG1-CG 3.5Å |
| 334 | G | 59.9 | Low | 67.9 | Low | 52 Ų | 52 | 83.9 Ų | 83.9 | 54% | 0.536 | 41% | 0.411 | S | S | . | . | trans | 69.2 | -0.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R330 H332 R336 | R330-G334 PolarHBondContact O-N 3.28Å; H332-G334 VanDerWaalsContact C-N 3.26Å; H332-G334 PolarHBondContact O-N 3.28Å; G334-R336 PolarHBondContact O-N 3.2Å; G334-R336 VanDerWaalsContact O-N 3.07Å | ||
| 335 | E | 56.3 | Low | 67.7 | Low | 117 Ų | 117 | 81 Ų | 81 | 55% | 0.547 | 40% | 0.4 | S | S | . | . | trans | -65.3 | 108.8 | -179.2 | -71.7 | -178.6 | 172.8 | 0 | 0 | 111.3 | R330 T333 P337 | R330-E335 HydrophobicContact CG-CB 4.34Å; R330-E335 PolarHBondContact O-N 3.46Å; T333-E335 PolarHBondContact O-N 3.02Å; T333-E335 VanDerWaalsContact O-N 3.1Å; T333-E335 WeakPolarHBondContact OG1-CG 3.5Å; E335-P337 WeakPolarHBondContact O-CD 3.31Å | ||
| 336 | R | 62.1 | Low | 66.9 | Low | 131 Ų | 131 | 83.2 Ų | 83.2 | 49% | 0.494 | 42% | 0.423 | S | S | . | . | trans | -109.7 | 73.3 | 174 | -62.8 | 167.1 | 80.1 | 154.7 | 2.4 | 109.6 | G334 F338 R348 F349 T350 | G334-R336 PolarHBondContact O-N 3.2Å; G334-R336 VanDerWaalsContact O-N 3.07Å; R336-F338 PolarHBondContact O-N 3.13Å; R336-R348 HydrophobicContact CB-CB 3.51Å; R336-R348 HydrophobicContact CG-CB 4.42Å; R336-R348 PolarHBondContact NE-O 3.26Å; R336-R348 PolarHBondContact NH2-O 3.27Å; R336-F349 CarbonylContact C-O 3.58Å; R336-F349 WeakPolarHBondContact CA-O 3.35Å; R336-T350 HydrophobicContact CG-CG2 3.95Å | ||
| 337 | P | 65.3 | Low | 66.8 | Low | 69 Ų | 69 | 81.6 Ų | 81.6 | 45% | 0.448 | 42% | 0.416 | S | S | . | . | trans | -70.8 | -14.4 | -172.3 | 29.6 | -37.2 | 0 | 0 | 0 | 113.9 | E335 | E335-P337 WeakPolarHBondContact O-CD 3.31Š| ||
| 338 | F | 65.1 | Low | 66.8 | Low | 54 Ų | 54 | 87.7 Ų | 87.7 | 24% | 0.237 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 93.9 | -177.8 | -59 | -70.1 | 0 | 0 | 0 | 110.4 | R336 R348 F349 R351 S352 L355 | R336-F338 PolarHBondContact O-N 3.13Å; F338-R348 CarbonylContact O-C 3.48Å; F338-R348 WeakPolarHBondContact O-CA 3.44Å; F338-F349 HydrophobicContact CB-CB 4.22Å; F338-F349 WeakPolarHBondContact CB-O 3.38Å; F338-F349 PolarHBondContact N-O 2.89Å; F338-F349 VanDerWaalsContact N-O 3.14Å; F338-F349 PolarHBondContact O-N 2.86Å; F338-R351 VanDerWaalsContact CE2-C 3.47Å; F338-S352 VanDerWaalsContact CE2-N 3.33Å; F338-L355 HydrophobicContact CB-CB 3.91Å; F338-L355 HydrophobicContact CB-CD2 3.77Å; F338-L355 HydrophobicContact CB-CG 4.42Å; F338-L355 HydrophobicContact CD1-CD2 4.47Å |
| 339 | V | 66.6 | Low | 66.7 | Low | 66 Ų | 66 | 88.1 Ų | 88.1 | 40% | 0.4 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 139.4 | 178.2 | -171.6 | 0 | 0 | 0 | 0 | 110.3 | N341 R348 | V339-N341 PolarHBondContact O-N 3.3Å; V339-R348 HydrophobicContact CG1-CG 4.29Å; V339-R348 HydrophobicContact CG2-CG 4Å |
| 340 | C | 76.6 | Confident | 66.5 | Low | 4 Ų | 4 | 88 Ų | 88 | 3% | 0.027 | 44% | 0.438 | C | S | . | . | trans | -71 | 112.7 | 167.3 | -173.5 | 0 | 0 | 0 | 0 | 109.7 | W342 C345 K347 F349 L355 H358 H362 | C340-W342 PolarHBondContact O-N 3.42Å; C340-W342 VanDerWaalsContact O-N 3.11Å; C340-W342 VanDerWaalsContact SG-CB 3.57Å; C340-C345 HydrophobicContact CB-CB 4.4Å; C340-K347 HydrophobicContact CB-CB 4.42Å; C340-K347 WeakPolarHBondContact CB-O 3.39Å; C340-K347 PolarHBondContact N-O 2.93Å; C340-F349 HydrophobicContact CB-CE2 4.48Å; C340-L355 HydrophobicContact CB-CD1 4.09Å; C340-H358 VanDerWaalsContact SG-CD2 3.59Å; C340-H358 PolarHBondContact SG-NE2 2.84Å; C340-H362 PolarHBondContact SG-NE2 3.34Å | ||
| 341 | N | 67.6 | Low | 66.6 | Low | 163 Ų | 163 | 90.1 Ų | 90.1 | 87% | 0.872 | 45% | 0.446 | S | S | * | . | trans | -74.4 | 9.9 | 178.8 | -156.3 | 60.2 | 0 | 0 | 0 | 113.9 | V339 | V339-N341 PolarHBondContact O-N 3.3Š| ||
| 342 | W | 68.4 | Low | 67 | Low | 124 Ų | 124 | 85.9 Ų | 85.9 | 47% | 0.47 | 44% | 0.44 | S | S | . | . | trans | -79 | 123.6 | 174.5 | -163.6 | -84.4 | 0 | 0 | 0 | 109.3 | C340 F344 C345 H362 | C340-W342 PolarHBondContact O-N 3.42Å; C340-W342 VanDerWaalsContact O-N 3.11Å; C340-W342 VanDerWaalsContact SG-CB 3.57Å; W342-F344 VanDerWaalsContact C-N 3.26Å; W342-F344 PolarHBondContact O-N 2.81Å; W342-F344 VanDerWaalsContact O-N 3.07Å; W342-C345 HydrophobicContact CB-CB 3.91Å; W342-C345 HydrophobicContact CG-CB 4.47Å; W342-C345 PolarHBondContact O-N 2.89Å; W342-H362 AromaticContact CD1-CE1 3.89Å; W342-H362 AromaticContact CD1-ND1 3.88Å; W342-H362 HydrophobicContact CD2-CB 3.8Å; W342-H362 AromaticContact CD2-CG 3.63Å; W342-H362 AromaticContact CD2-ND1 3.88Å; W342-H362 HydrophobicContact CE3-CB 3.56Å; W342-H362 AromaticContact CE3-CG 3.81Å; W342-H362 AromaticContact CG-CD2 3.94Å; W342-H362 AromaticContact CG-CE1 3.81Å; W342-H362 AromaticContact CG-CG 3.85Å; W342-H362 AromaticContact CG-ND1 3.8Å; W342-H362 AromaticContact CG-NE2 3.92Å; W342-H362 HydrophobicContact CH2-CB 3.97Å; W342-H362 HydrophobicContact CZ2-CB 4.2Å; W342-H362 HydrophobicContact CZ3-CB 3.65Å; W342-H362 AromaticContact NE1-ND1 4Å | ||
| 343 | L | 58.9 | Low | 67.4 | Low | 154 Ų | 154 | 86 Ų | 86 | 81% | 0.806 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -39.3 | -163.2 | -168.3 | 65 | 0 | 0 | 0 | 114.2 | ||
| 344 | F | 60.8 | Low | 68 | Low | 185 Ų | 185 | 85.5 Ų | 85.5 | 81% | 0.811 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 2.2 | -179.1 | -56.1 | -72 | 0 | 0 | 0 | 114.7 | W342 | W342-F344 VanDerWaalsContact C-N 3.26Å; W342-F344 PolarHBondContact O-N 2.81Å; W342-F344 VanDerWaalsContact O-N 3.07Å |
| 345 | C | 74.1 | Confident | 68.9 | Low | 26 Ų | 26 | 84 Ų | 84 | 18% | 0.176 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -48.6 | -171 | -158 | 0 | 0 | 0 | 0 | 114 | C340 W342 K347 H358 H362 | C340-C345 HydrophobicContact CB-CB 4.4Å; W342-C345 HydrophobicContact CB-CB 3.91Å; W342-C345 HydrophobicContact CG-CB 4.47Å; W342-C345 PolarHBondContact O-N 2.89Å; C345-K347 PolarHBondContact O-N 3.19Å; C345-H358 PolarHBondContact SG-CE1 3.4Å; C345-H358 PolarHBondContact SG-NE2 3.14Å; C345-H362 PolarHBondContact SG-CE1 3.28Å; C345-H362 PolarHBondContact SG-NE2 3.25Å |
| 346 | G | 61.5 | Low | 69.8 | Low | 47 Ų | 47 | 83.5 Ų | 83.5 | 49% | 0.485 | 41% | 0.412 | S | S | . | . | trans | 59.5 | -2.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | R348 | G346-R348 WeakPolarHBondContact O-CG 3.41Å; G346-R348 PolarHBondContact O-N 3.43Å | ||
| 347 | K | 70.9 | Confident | 70.5 | Confident | 89 Ų | 89 | 80 Ų | 80 | 39% | 0.387 | 40% | 0.399 | S | S | . | . | trans | -63.6 | 128.4 | -173.1 | -68.8 | -177.7 | -172 | -178.3 | 0 | 110.9 | C340 C345 F349 | C340-K347 HydrophobicContact CB-CB 4.42Å; C340-K347 WeakPolarHBondContact CB-O 3.39Å; C340-K347 PolarHBondContact N-O 2.93Å; C345-K347 PolarHBondContact O-N 3.19Å; K347-F349 HydrophobicContact CB-CE2 3.77Å; K347-F349 HydrophobicContact CB-CZ 3.69Å; K347-F349 WeakPolarHBondContact O-CE2 3.45Å | ||
| 348 | R | 74.2 | Confident | 71.3 | Confident | 147 Ų | 147 | 77.5 Ų | 77.5 | 56% | 0.555 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 146.8 | 179.9 | -45.7 | -168.1 | 178.6 | -167.3 | -0.2 | 111.2 | R336 F338 V339 G346 | R336-R348 HydrophobicContact CB-CB 3.51Å; R336-R348 HydrophobicContact CG-CB 4.42Å; R336-R348 PolarHBondContact NE-O 3.26Å; R336-R348 PolarHBondContact NH2-O 3.27Å; F338-R348 CarbonylContact O-C 3.48Å; F338-R348 WeakPolarHBondContact O-CA 3.44Å; V339-R348 HydrophobicContact CG1-CG 4.29Å; V339-R348 HydrophobicContact CG2-CG 4Å; G346-R348 WeakPolarHBondContact O-CG 3.41Å; G346-R348 PolarHBondContact O-N 3.43Å |
| 349 | F | 75.3 | Confident | 71.8 | Confident | 29 Ų | 29 | 77.4 Ų | 77.4 | 13% | 0.127 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 151.8 | -177.1 | -55.2 | -82.2 | 0 | 0 | 0 | 111.7 | R336 F338 C340 K347 E354 L355 H358 | R336-F349 CarbonylContact C-O 3.58Å; R336-F349 WeakPolarHBondContact CA-O 3.35Å; F338-F349 HydrophobicContact CB-CB 4.22Å; F338-F349 WeakPolarHBondContact CB-O 3.38Å; F338-F349 PolarHBondContact N-O 2.89Å; F338-F349 VanDerWaalsContact N-O 3.14Å; F338-F349 PolarHBondContact O-N 2.86Å; C340-F349 HydrophobicContact CB-CE2 4.48Å; K347-F349 HydrophobicContact CB-CE2 3.77Å; K347-F349 HydrophobicContact CB-CZ 3.69Å; K347-F349 WeakPolarHBondContact O-CE2 3.45Å; F349-E354 HydrophobicContact CB-CB 4.11Å; F349-E354 HydrophobicContact CB-CG 4.2Å; F349-E354 HydrophobicContact CD1-CB 4.12Å; F349-E354 HydrophobicContact CD1-CG 3.32Å; F349-E354 HydrophobicContact CE1-CG 3.93Å; F349-E354 HydrophobicContact CG-CB 4.28Å; F349-E354 HydrophobicContact CG-CG 3.96Å; F349-L355 HydrophobicContact CB-CB 4.48Å; F349-L355 HydrophobicContact CD2-CB 3.98Å; F349-L355 HydrophobicContact CD2-CD1 3.98Å; F349-L355 HydrophobicContact CE2-CD1 4.16Å; F349-L355 HydrophobicContact CG-CB 4.49Å; F349-H358 HydrophobicContact CE1-CB 4.29Å; F349-H358 HydrophobicContact CE2-CB 3.88Å; F349-H358 AromaticContact CE2-CD2 3.31Å; F349-H358 WeakPolarHBondContact CE2-CD2 3.41Å; F349-H358 AromaticContact CE2-CG 3.72Å; F349-H358 HydrophobicContact CZ-CB 3.58Å; F349-H358 AromaticContact CZ-CD2 3.42Å; F349-H358 VanDerWaalsContact CZ-CD2 3.42Å; F349-H358 WeakPolarHBondContact CZ-CD2 3.46Å; F349-H358 AromaticContact CZ-CG 3.4Å; F349-H358 VanDerWaalsContact CZ-CG 3.4Å |
| 350 | T | 68.8 | Low | 72.2 | Confident | 42 Ų | 42 | 79 Ų | 79 | 26% | 0.258 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -84.3 | -17.3 | 179 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | R330 R336 | R330-T350 HydrophobicContact CB-CG2 4.34Å; R330-T350 VanDerWaalsContact CD-O 3.28Å; R330-T350 WeakPolarHBondContact CD-O 3.3Å; R330-T350 PolarHBondContact NH1-O 2.05Å; R336-T350 HydrophobicContact CG-CG2 3.95Å |
| 351 | R | 71.6 | Confident | 72.1 | Confident | 100 Ų | 100 | 82.2 Ų | 82.2 | 38% | 0.377 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -132.2 | 149 | -177.7 | -57.3 | 170.4 | 49.8 | 126.9 | -8.9 | 112.2 | A327 F338 D353 E354 L355 | A327-R351 HydrophobicContact CB-CG 4.22Å; F338-R351 VanDerWaalsContact CE2-C 3.47Å; R351-D353 WeakPolarHBondContact CB-OD1 3.43Å; R351-D353 IonicContact CZ-OD1 3.61Å; R351-D353 IonicContact CZ-OD2 3.49Å; R351-D353 IonicContact NE-OD1 3.55Å; R351-D353 PolarHBondContact NE-OD1 3.44Å; R351-D353 IonicContact NE-OD2 2.68Å; R351-D353 VanDerWaalsContact NH2-CG 3.28Å; R351-D353 IonicContact NH2-OD1 3.47Å; R351-D353 PolarHBondContact NH2-OD1 3.34Å; R351-D353 IonicContact NH2-OD2 2.86Å; R351-D353 PolarHBondContact NH2-OD2 2.87Å; R351-E354 HydrophobicContact CB-CB 4.38Å; R351-E354 WeakPolarHBondContact O-CB 3.39Å; R351-E354 PolarHBondContact O-N 3.01Å; R351-L355 PolarHBondContact O-N 2.82Å |
| 352 | S | 72.8 | Confident | 72.3 | Confident | 66 Ų | 66 | 76.8 Ų | 76.8 | 46% | 0.462 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -73.7 | -34 | -178.7 | 48 | 0 | 0 | 0 | 0 | 113.3 | F338 E354 L355 Q356 | F338-S352 VanDerWaalsContact CE2-N 3.33Å; S352-E354 VanDerWaalsContact C-N 3.25Å; S352-E354 PolarHBondContact O-N 2.8Å; S352-L355 PolarHBondContact O-N 2.7Å; S352-Q356 WeakPolarHBondContact O-CB 3.26Å; S352-Q356 VanDerWaalsContact O-CG 3.31Å; S352-Q356 WeakPolarHBondContact O-CG 3.32Å; S352-Q356 PolarHBondContact O-N 3.39Å |
| 353 | D | 75 | Confident | 72.4 | Confident | 61 Ų | 61 | 75 Ų | 75 | 33% | 0.326 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.1 | -27.8 | 175.5 | 64.2 | -50.8 | 0 | 0 | 0 | 112.6 | R351 R357 | R351-D353 WeakPolarHBondContact CB-OD1 3.43Å; R351-D353 IonicContact CZ-OD1 3.61Å; R351-D353 IonicContact CZ-OD2 3.49Å; R351-D353 IonicContact NE-OD1 3.55Å; R351-D353 PolarHBondContact NE-OD1 3.44Å; R351-D353 IonicContact NE-OD2 2.68Å; R351-D353 VanDerWaalsContact NH2-CG 3.28Å; R351-D353 IonicContact NH2-OD1 3.47Å; R351-D353 PolarHBondContact NH2-OD1 3.34Å; R351-D353 IonicContact NH2-OD2 2.86Å; R351-D353 PolarHBondContact NH2-OD2 2.87Å; D353-R357 WeakPolarHBondContact O-CB 3.12Å; D353-R357 PolarHBondContact O-N 3.15Å; D353-R357 VanDerWaalsContact O-N 3.09Å; D353-R357 IonicContact OD2-NH2 2.72Å |
| 354 | E | 76.3 | Confident | 72.6 | Confident | 69 Ų | 69 | 69.9 Ų | 69.9 | 32% | 0.322 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.5 | -50 | 172.1 | -164.6 | 62.4 | -124.5 | 0 | 0 | 111.1 | F349 R351 S352 Q356 R357 H358 | F349-E354 HydrophobicContact CB-CB 4.11Å; F349-E354 HydrophobicContact CB-CG 4.2Å; F349-E354 HydrophobicContact CD1-CB 4.12Å; F349-E354 HydrophobicContact CD1-CG 3.32Å; F349-E354 HydrophobicContact CE1-CG 3.93Å; F349-E354 HydrophobicContact CG-CB 4.28Å; F349-E354 HydrophobicContact CG-CG 3.96Å; R351-E354 HydrophobicContact CB-CB 4.38Å; R351-E354 WeakPolarHBondContact O-CB 3.39Å; R351-E354 PolarHBondContact O-N 3.01Å; S352-E354 VanDerWaalsContact C-N 3.25Å; S352-E354 PolarHBondContact O-N 2.8Å; E354-Q356 VanDerWaalsContact C-N 3.34Å; E354-Q356 PolarHBondContact O-N 2.75Å; E354-R357 PolarHBondContact O-N 2.91Å; E354-R357 VanDerWaalsContact O-N 3.16Å; E354-R357 IonicContact OE1-CZ 3.78Å; E354-R357 IonicContact OE1-NH1 2.77Å; E354-R357 PolarHBondContact OE1-NH1 3.42Å; E354-R357 IonicContact OE2-CZ 2.79Å; E354-R357 IonicContact OE2-NH1 3.18Å; E354-R357 PolarHBondContact OE2-NH1 3.48Å; E354-R357 IonicContact OE2-NH2 2.91Å; E354-H358 WeakPolarHBondContact O-CB 3.24Å; E354-H358 PolarHBondContact O-N 2.91Å |
| 355 | L | 78.7 | Confident | 72.6 | Confident | 22 Ų | 22 | 64.9 Ų | 64.9 | 12% | 0.115 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58 | -45.4 | 174.9 | 172.5 | 61.9 | 0 | 0 | 0 | 111.6 | F338 C340 F349 R351 S352 R357 H358 L359 | F338-L355 HydrophobicContact CB-CB 3.91Å; F338-L355 HydrophobicContact CB-CD2 3.77Å; F338-L355 HydrophobicContact CB-CG 4.42Å; F338-L355 HydrophobicContact CD1-CD2 4.47Å; C340-L355 HydrophobicContact CB-CD1 4.09Å; F349-L355 HydrophobicContact CB-CB 4.48Å; F349-L355 HydrophobicContact CD2-CB 3.98Å; F349-L355 HydrophobicContact CD2-CD1 3.98Å; F349-L355 HydrophobicContact CE2-CD1 4.16Å; F349-L355 HydrophobicContact CG-CB 4.49Å; R351-L355 PolarHBondContact O-N 2.82Å; S352-L355 PolarHBondContact O-N 2.7Å; L355-R357 VanDerWaalsContact C-N 3.29Å; L355-R357 PolarHBondContact O-N 3.36Å; L355-H358 PolarHBondContact O-N 2.85Å; L355-L359 HydrophobicContact CD1-CD1 4.1Å; L355-L359 HydrophobicContact CD1-CD2 4.46Å; L355-L359 HydrophobicContact CD1-CG 3.98Å; L355-L359 HydrophobicContact CG-CD1 4.01Å; L355-L359 HydrophobicContact CG-CG 4.36Å; L355-L359 WeakPolarHBondContact O-CG 3.5Å; L355-L359 PolarHBondContact O-N 2.85Å |
| 356 | Q | 75.9 | Confident | 72.4 | Confident | 105 Ų | 105 | 67.3 Ų | 67.3 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.3 | -30.2 | 178.8 | -74.7 | -66.3 | -36.5 | 0 | 0 | 113.1 | S352 E354 R360 | S352-Q356 WeakPolarHBondContact O-CB 3.26Å; S352-Q356 VanDerWaalsContact O-CG 3.31Å; S352-Q356 WeakPolarHBondContact O-CG 3.32Å; S352-Q356 PolarHBondContact O-N 3.39Å; E354-Q356 VanDerWaalsContact C-N 3.34Å; E354-Q356 PolarHBondContact O-N 2.75Å; Q356-R360 WeakPolarHBondContact O-CG 3.34Å; Q356-R360 PolarHBondContact O-NE 2.9Å |
| 357 | R | 77.1 | Confident | 72.9 | Confident | 59 Ų | 59 | 73 Ų | 73 | 22% | 0.223 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -75 | -38.4 | 172 | -163.3 | -175.2 | -42.6 | 114.2 | 9.7 | 111.6 | D353 E354 L355 R360 R379 | D353-R357 WeakPolarHBondContact O-CB 3.12Å; D353-R357 PolarHBondContact O-N 3.15Å; D353-R357 VanDerWaalsContact O-N 3.09Å; D353-R357 IonicContact OD2-NH2 2.72Å; E354-R357 PolarHBondContact O-N 2.91Å; E354-R357 VanDerWaalsContact O-N 3.16Å; E354-R357 IonicContact OE1-CZ 3.78Å; E354-R357 IonicContact OE1-NH1 2.77Å; E354-R357 PolarHBondContact OE1-NH1 3.42Å; E354-R357 IonicContact OE2-CZ 2.79Å; E354-R357 IonicContact OE2-NH1 3.18Å; E354-R357 PolarHBondContact OE2-NH1 3.48Å; E354-R357 IonicContact OE2-NH2 2.91Å; L355-R357 VanDerWaalsContact C-N 3.29Å; L355-R357 PolarHBondContact O-N 3.36Å; R357-R360 WeakPolarHBondContact O-CB 3.41Å; R357-R360 PolarHBondContact O-N 3.35Å; R357-R379 HydrophobicContact CG-CG 4.26Å |
| 358 | H | 81.1 | Confident | 73 | Confident | 16 Ų | 16 | 72 Ų | 72 | 7% | 0.074 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.6 | -39.2 | 176.4 | 172.7 | 48.1 | 0 | 0 | 0 | 112.5 | C340 C345 F349 E354 L355 R360 T361 H362 | C340-H358 VanDerWaalsContact SG-CD2 3.59Å; C340-H358 PolarHBondContact SG-NE2 2.84Å; C345-H358 PolarHBondContact SG-CE1 3.4Å; C345-H358 PolarHBondContact SG-NE2 3.14Å; F349-H358 HydrophobicContact CE1-CB 4.29Å; F349-H358 HydrophobicContact CE2-CB 3.88Å; F349-H358 AromaticContact CE2-CD2 3.31Å; F349-H358 WeakPolarHBondContact CE2-CD2 3.41Å; F349-H358 AromaticContact CE2-CG 3.72Å; F349-H358 HydrophobicContact CZ-CB 3.58Å; F349-H358 AromaticContact CZ-CD2 3.42Å; F349-H358 VanDerWaalsContact CZ-CD2 3.42Å; F349-H358 WeakPolarHBondContact CZ-CD2 3.46Å; F349-H358 AromaticContact CZ-CG 3.4Å; F349-H358 VanDerWaalsContact CZ-CG 3.4Å; E354-H358 WeakPolarHBondContact O-CB 3.24Å; E354-H358 PolarHBondContact O-N 2.91Å; L355-H358 PolarHBondContact O-N 2.85Å; H358-R360 PolarHBondContact O-N 3.17Å; H358-R360 VanDerWaalsContact O-N 3.14Å; H358-T361 PolarHBondContact ND1-OG1 2.84Å; H358-T361 WeakPolarHBondContact O-CB 3.47Å; H358-T361 PolarHBondContact O-N 2.83Å; H358-T361 PolarHBondContact O-OG1 3.03Å; H358-H362 AromaticContact CE1-CE1 3.86Å; H358-H362 AromaticContact CE1-NE2 3.29Å; H358-H362 PolarHBondContact CE1-NE2 3.27Å; H358-H362 VanDerWaalsContact CE1-NE2 3.29Å; H358-H362 AromaticContact NE2-CD2 4Å; H358-H362 AromaticContact NE2-NE2 3.15Å; H358-H362 PolarHBondContact NE2-NE2 2.87Å; H358-H362 VanDerWaalsContact NE2-NE2 3.15Å |
| 359 | L | 75.7 | Confident | 73.4 | Confident | 52 Ų | 52 | 67.6 Ų | 67.6 | 27% | 0.272 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.9 | -30.2 | 175.9 | -73.7 | 167.1 | 0 | 0 | 0 | 112.3 | L355 T361 H362 T363 | L355-L359 HydrophobicContact CD1-CD1 4.1Å; L355-L359 HydrophobicContact CD1-CD2 4.46Å; L355-L359 HydrophobicContact CD1-CG 3.98Å; L355-L359 HydrophobicContact CG-CD1 4.01Å; L355-L359 HydrophobicContact CG-CG 4.36Å; L355-L359 WeakPolarHBondContact O-CG 3.5Å; L355-L359 PolarHBondContact O-N 2.85Å; L359-T361 PolarHBondContact O-N 3.43Å; L359-H362 PolarHBondContact O-N 2.82Å; L359-H362 VanDerWaalsContact O-N 3.16Å; L359-T363 PolarHBondContact O-N 3.49Å |
| 360 | R | 75.6 | Confident | 73.8 | Confident | 99 Ų | 99 | 66.2 Ų | 66.2 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.3 | -21.7 | 174.2 | -61.1 | 167.4 | -164.7 | -179.6 | -0.1 | 113.5 | Q356 R357 H358 H362 T363 G364 M378 | Q356-R360 WeakPolarHBondContact O-CG 3.34Å; Q356-R360 PolarHBondContact O-NE 2.9Å; R357-R360 WeakPolarHBondContact O-CB 3.41Å; R357-R360 PolarHBondContact O-N 3.35Å; H358-R360 PolarHBondContact O-N 3.17Å; H358-R360 VanDerWaalsContact O-N 3.14Å; R360-H362 VanDerWaalsContact C-N 3.25Å; R360-H362 PolarHBondContact O-N 3.3Å; R360-T363 WeakPolarHBondContact CA-OG1 3.27Å; R360-T363 PolarHBondContact O-N 3.34Å; R360-T363 PolarHBondContact O-OG1 3.26Å; R360-G364 PolarHBondContact O-N 3.18Å; R360-M378 VanDerWaalsContact C-SD 3.57Å; R360-M378 HydrophobicContact CB-CG 4.24Å; R360-M378 HydrophobicContact CB-SD 4.1Å; R360-M378 VanDerWaalsContact O-SD 3.34Å |
| 361 | T | 73.7 | Confident | 74.3 | Confident | 71 Ų | 71 | 69.1 Ų | 69.1 | 44% | 0.436 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -71.8 | -23.4 | 174.7 | 75.9 | 0 | 0 | 0 | 0 | 111.9 | H358 L359 M378 | H358-T361 PolarHBondContact ND1-OG1 2.84Å; H358-T361 WeakPolarHBondContact O-CB 3.47Å; H358-T361 PolarHBondContact O-N 2.83Å; H358-T361 PolarHBondContact O-OG1 3.03Å; L359-T361 PolarHBondContact O-N 3.43Å; T361-M378 HydrophobicContact CG2-CE 3.74Å; T361-M378 HydrophobicContact CG2-SD 4Å |
| 362 | H | 72.3 | Confident | 74.7 | Confident | 50 Ų | 50 | 68.8 Ų | 68.8 | 23% | 0.231 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -81.9 | -32.4 | 173.6 | -61.5 | -58.9 | 0 | 0 | 0 | 112.3 | C340 W342 C345 H358 L359 R360 | C340-H362 PolarHBondContact SG-NE2 3.34Å; W342-H362 AromaticContact CD1-CE1 3.89Å; W342-H362 AromaticContact CD1-ND1 3.88Å; W342-H362 HydrophobicContact CD2-CB 3.8Å; W342-H362 AromaticContact CD2-CG 3.63Å; W342-H362 AromaticContact CD2-ND1 3.88Å; W342-H362 HydrophobicContact CE3-CB 3.56Å; W342-H362 AromaticContact CE3-CG 3.81Å; W342-H362 AromaticContact CG-CD2 3.94Å; W342-H362 AromaticContact CG-CE1 3.81Å; W342-H362 AromaticContact CG-CG 3.85Å; W342-H362 AromaticContact CG-ND1 3.8Å; W342-H362 AromaticContact CG-NE2 3.92Å; W342-H362 HydrophobicContact CH2-CB 3.97Å; W342-H362 HydrophobicContact CZ2-CB 4.2Å; W342-H362 HydrophobicContact CZ3-CB 3.65Å; W342-H362 AromaticContact NE1-ND1 4Å; C345-H362 PolarHBondContact SG-CE1 3.28Å; C345-H362 PolarHBondContact SG-NE2 3.25Å; H358-H362 AromaticContact CE1-CE1 3.86Å; H358-H362 AromaticContact CE1-NE2 3.29Å; H358-H362 PolarHBondContact CE1-NE2 3.27Å; H358-H362 VanDerWaalsContact CE1-NE2 3.29Å; H358-H362 AromaticContact NE2-CD2 4Å; H358-H362 AromaticContact NE2-NE2 3.15Å; H358-H362 PolarHBondContact NE2-NE2 2.87Å; H358-H362 VanDerWaalsContact NE2-NE2 3.15Å; L359-H362 PolarHBondContact O-N 2.82Å; L359-H362 VanDerWaalsContact O-N 3.16Å; R360-H362 VanDerWaalsContact C-N 3.25Å; R360-H362 PolarHBondContact O-N 3.3Å |
| 363 | T | 69.4 | Low | 75.3 | Confident | 85 Ų | 85 | 67.9 Ų | 67.9 | 52% | 0.521 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -84.8 | -10.6 | 177.8 | 62.6 | 0 | 0 | 0 | 0 | 114.2 | L359 R360 E365 | L359-T363 PolarHBondContact O-N 3.49Å; R360-T363 WeakPolarHBondContact CA-OG1 3.27Å; R360-T363 PolarHBondContact O-N 3.34Å; R360-T363 PolarHBondContact O-OG1 3.26Å; T363-E365 PolarHBondContact O-N 2.96Å |
| 364 | G | 64.8 | Low | 75.5 | Confident | 47 Ų | 47 | 71 Ų | 71 | 49% | 0.485 | 37% | 0.374 | S | S | . | . | trans | 66.9 | 4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | R360 K366 | R360-G364 PolarHBondContact O-N 3.18Å; G364-K366 PolarHBondContact O-N 3.41Å | ||
| 365 | E | 60.6 | Low | 75.6 | Confident | 80 Ų | 80 | 73.1 Ų | 73.1 | 37% | 0.374 | 38% | 0.382 | S | S | . | . | trans | -69.4 | 97.4 | -170 | -70.4 | -172.2 | 133.8 | 0 | 0 | 113.7 | T363 R367 | T363-E365 PolarHBondContact O-N 2.96Å; E365-R367 HydrophobicContact CB-CG 4.11Å; E365-R367 PolarHBondContact O-N 3.34Å; E365-R367 IonicContact OE1-CZ 3.67Å; E365-R367 IonicContact OE1-NE 3.23Å; E365-R367 IonicContact OE1-NH2 3.56Å; E365-R367 PolarHBondContact OE1-NH2 3.22Å; E365-R367 IonicContact OE2-CZ 3.17Å; E365-R367 IonicContact OE2-NE 3.72Å; E365-R367 PolarHBondContact OE2-NE 3.29Å; E365-R367 IonicContact OE2-NH2 2.73Å; E365-R367 PolarHBondContact OE2-NH2 3.23Å | ||
| 366 | K | 69.2 | Low | 75.6 | Confident | 77 Ų | 77 | 79.8 Ų | 79.8 | 34% | 0.335 | 41% | 0.406 | S | S | . | . | trans | -77.4 | 80.5 | 171 | -61.3 | 172.2 | -176.2 | 171.9 | 0 | 110 | G364 R376 F377 D405 | G364-K366 PolarHBondContact O-N 3.41Å; K366-R376 HydrophobicContact CB-CB 3.65Å; K366-R376 PolarHBondContact O-NE 3.25Å; K366-R376 PolarHBondContact O-NH2 3.04Å; K366-F377 CarbonylContact C-O 3.59Å; K366-D405 IonicContact NZ-OD1 2.76Å; K366-D405 PolarHBondContact NZ-OD1 3.28Å | ||
| 367 | R | 71.5 | Confident | 75.8 | Confident | 166 Ų | 166 | 77 Ų | 77 | 63% | 0.626 | 39% | 0.392 | S | S | * | . | trans | -77.8 | -18.3 | -174.5 | -67.2 | -173.6 | 177 | -124.6 | -1.2 | 116 | E365 F377 | E365-R367 HydrophobicContact CB-CG 4.11Å; E365-R367 PolarHBondContact O-N 3.34Å; E365-R367 IonicContact OE1-CZ 3.67Å; E365-R367 IonicContact OE1-NE 3.23Å; E365-R367 IonicContact OE1-NH2 3.56Å; E365-R367 PolarHBondContact OE1-NH2 3.22Å; E365-R367 IonicContact OE2-CZ 3.17Å; E365-R367 IonicContact OE2-NE 3.72Å; E365-R367 PolarHBondContact OE2-NE 3.29Å; E365-R367 IonicContact OE2-NH2 2.73Å; E365-R367 PolarHBondContact OE2-NH2 3.23Å; R367-F377 PolarHBondContact N-O 3Å | ||
| 368 | F | 74.5 | Confident | 75.7 | Confident | 70 Ų | 70 | 77 Ų | 77 | 31% | 0.307 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 101.1 | -171.6 | -62.2 | -78.5 | 0 | 0 | 0 | 111.9 | R376 F377 L383 | F368-R376 CarbonylContact O-C 3.58Å; F368-R376 WeakPolarHBondContact O-CA 3.39Å; F368-F377 HydrophobicContact CB-CB 4.32Å; F368-F377 WeakPolarHBondContact CB-O 3.49Å; F368-F377 PolarHBondContact N-O 3.43Å; F368-F377 PolarHBondContact O-N 2.9Å; F368-L383 HydrophobicContact CB-CB 4.26Å; F368-L383 HydrophobicContact CB-CD2 3.87Å |
| 369 | A | 80.8 | Confident | 75.5 | Confident | 54 Ų | 54 | 79.7 Ų | 79.7 | 45% | 0.446 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 145.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K375 R376 | A369-K375 CarbonylContact C-O 3.38Å; A369-R376 HydrophobicContact CB-CG 4.4Å |
| 370 | C | 83.5 | Confident | 75.7 | Confident | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 41% | 0.413 | C | S | . | . | trans | -81.4 | 124.6 | 169.2 | -175.8 | 0 | 0 | 0 | 0 | 111.1 | V372 N374 K375 F377 L383 H386 | C370-V372 PolarHBondContact O-N 3.41Å; C370-N374 WeakPolarHBondContact O-CA 2.96Å; C370-N374 PolarHBondContact O-N 2.76Å; C370-K375 PolarHBondContact N-O 2.92Å; C370-F377 HydrophobicContact CB-CE2 4.29Å; C370-L383 HydrophobicContact CB-CD1 3.82Å; C370-H386 VanDerWaalsContact SG-CD2 3.53Å | ||
| 371 | P | 79.8 | Confident | 76 | Confident | 102 Ų | 102 | 78.1 Ų | 78.1 | 66% | 0.662 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -15.1 | -179.3 | 28.5 | -35.6 | 0 | 0 | 0 | 113.8 | ||
| 372 | V | 81.3 | Confident | 76.5 | Confident | 93 Ų | 93 | 77.6 Ų | 77.6 | 56% | 0.564 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -30.8 | -176.8 | -174.2 | 0 | 0 | 0 | 0 | 112.6 | C370 H390 | C370-V372 PolarHBondContact O-N 3.41Å; V372-H390 HydrophobicContact CB-CB 4.48Å; V372-H390 HydrophobicContact CG1-CB 4.14Å; V372-H390 HydrophobicContact CG2-CB 4.4Å |
| 373 | C | 84.2 | Confident | 77.1 | Confident | 48 Ų | 48 | 76.3 Ų | 76.3 | 32% | 0.324 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.2 | 14.3 | -175.6 | 71.9 | 0 | 0 | 0 | 0 | 114.7 | K375 H386 H390 | C373-K375 PolarHBondContact O-N 2.69Å; C373-H386 PolarHBondContact SG-NE2 3.08Å; C373-H390 VanDerWaalsContact SG-CE1 3.6Å; C373-H390 PolarHBondContact SG-NE2 3.49Å; C373-H390 VanDerWaalsContact SG-NE2 3.39Å |
| 374 | N | 79.9 | Confident | 77.8 | Confident | 127 Ų | 127 | 75.3 Ų | 75.3 | 68% | 0.679 | 39% | 0.393 | S | S | * | . | trans | 54.7 | 5.8 | 177.3 | -65.7 | -35.4 | 0 | 0 | 0 | 117.2 | C370 R376 | C370-N374 WeakPolarHBondContact O-CA 2.96Å; C370-N374 PolarHBondContact O-N 2.76Å; N374-R376 PolarHBondContact O-N 2.87Å | ||
| 375 | K | 78.7 | Confident | 78.7 | Confident | 112 Ų | 112 | 79 Ų | 79 | 49% | 0.487 | 40% | 0.396 | S | S | . | . | trans | -58.1 | 127.8 | 173.6 | -72.4 | -177.2 | -177.4 | -69.5 | 0 | 110.4 | A369 C370 C373 F377 | A369-K375 CarbonylContact C-O 3.38Å; C370-K375 PolarHBondContact N-O 2.92Å; C373-K375 PolarHBondContact O-N 2.69Å; K375-F377 HydrophobicContact CB-CE2 3.89Å; K375-F377 HydrophobicContact CB-CZ 4.09Å; K375-F377 WeakPolarHBondContact O-CD2 3.28Å; K375-F377 VanDerWaalsContact O-CE2 3.3Å; K375-F377 WeakPolarHBondContact O-CE2 3.36Å | ||
| 376 | R | 78.5 | Confident | 79.9 | Confident | 163 Ų | 163 | 76.8 Ų | 76.8 | 62% | 0.615 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 131.1 | -176.4 | -60 | 177 | 63.2 | 173.2 | 1.6 | 111 | K366 F368 A369 N374 | K366-R376 HydrophobicContact CB-CB 3.65Å; K366-R376 PolarHBondContact O-NE 3.25Å; K366-R376 PolarHBondContact O-NH2 3.04Å; F368-R376 CarbonylContact O-C 3.58Å; F368-R376 WeakPolarHBondContact O-CA 3.39Å; A369-R376 HydrophobicContact CB-CG 4.4Å; N374-R376 PolarHBondContact O-N 2.87Å |
| 377 | F | 79.1 | Confident | 80.6 | Confident | 46 Ų | 46 | 75.9 Ų | 75.9 | 20% | 0.202 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 149 | -179.8 | -60.2 | -88.9 | 0 | 0 | 0 | 110.6 | K366 R367 F368 C370 K375 R379 H382 L383 H386 | K366-F377 CarbonylContact C-O 3.59Å; R367-F377 PolarHBondContact N-O 3Å; F368-F377 HydrophobicContact CB-CB 4.32Å; F368-F377 WeakPolarHBondContact CB-O 3.49Å; F368-F377 PolarHBondContact N-O 3.43Å; F368-F377 PolarHBondContact O-N 2.9Å; C370-F377 HydrophobicContact CB-CE2 4.29Å; K375-F377 HydrophobicContact CB-CE2 3.89Å; K375-F377 HydrophobicContact CB-CZ 4.09Å; K375-F377 WeakPolarHBondContact O-CD2 3.28Å; K375-F377 VanDerWaalsContact O-CE2 3.3Å; K375-F377 WeakPolarHBondContact O-CE2 3.36Å; F377-R379 VanDerWaalsContact C-N 3.35Å; F377-H382 HydrophobicContact CD1-CB 3.97Å; F377-L383 HydrophobicContact CB-CB 4.38Å; F377-L383 HydrophobicContact CD2-CB 4.06Å; F377-L383 HydrophobicContact CD2-CD1 3.93Å; F377-L383 HydrophobicContact CE2-CD1 4.16Å; F377-L383 HydrophobicContact CG-CB 4.34Å; F377-H386 HydrophobicContact CE1-CB 4.2Å; F377-H386 HydrophobicContact CE2-CB 4.1Å; F377-H386 AromaticContact CE2-CD2 3.37Å; F377-H386 WeakPolarHBondContact CE2-CD2 3.16Å; F377-H386 AromaticContact CE2-CG 3.81Å; F377-H386 HydrophobicContact CZ-CB 3.64Å; F377-H386 AromaticContact CZ-CD2 3.39Å; F377-H386 WeakPolarHBondContact CZ-CD2 3.49Å; F377-H386 AromaticContact CZ-CG 3.37Å |
| 378 | M | 76.1 | Confident | 81.3 | Confident | 60 Ų | 60 | 74.8 Ų | 74.8 | 30% | 0.296 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -81.4 | -15.1 | 174.1 | -178 | 166.6 | 45.1 | 0 | 0 | 112.8 | R360 T361 | R360-M378 VanDerWaalsContact C-SD 3.57Å; R360-M378 HydrophobicContact CB-CG 4.24Å; R360-M378 HydrophobicContact CB-SD 4.1Å; R360-M378 VanDerWaalsContact O-SD 3.34Å; T361-M378 HydrophobicContact CG2-CE 3.74Å; T361-M378 HydrophobicContact CG2-SD 4Å |
| 379 | R | 75.9 | Confident | 81.7 | Confident | 72 Ų | 72 | 75.7 Ų | 75.7 | 27% | 0.272 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -134 | 142.5 | -178.3 | -60.1 | 166.7 | 44.8 | 171.8 | -2.9 | 112 | R357 F377 D381 H382 L383 | R357-R379 HydrophobicContact CG-CG 4.26Å; F377-R379 VanDerWaalsContact C-N 3.35Å; R379-D381 WeakPolarHBondContact CB-OD1 3.42Å; R379-D381 IonicContact CZ-OD1 3.55Å; R379-D381 IonicContact CZ-OD2 2.85Å; R379-D381 IonicContact NE-OD1 3.48Å; R379-D381 PolarHBondContact NE-OD1 2.82Å; R379-D381 IonicContact NE-OD2 2.75Å; R379-D381 VanDerWaalsContact NH2-CG 3.33Å; R379-D381 IonicContact NH2-OD1 3.41Å; R379-D381 PolarHBondContact NH2-OD1 3.06Å; R379-D381 IonicContact NH2-OD2 2.7Å; R379-D381 PolarHBondContact NH2-OD2 3.4Å; R379-H382 VanDerWaalsContact CD-CD2 3.5Å; R379-H382 WeakPolarHBondContact CD-CD2 3.38Å; R379-H382 WeakPolarHBondContact CD-NE2 3.31Å; R379-H382 PolarHBondContact NE-NE2 3.15Å; R379-H382 PolarHBondContact NH1-NE2 3.06Å; R379-H382 PolarHBondContact O-N 3.45Å; R379-L383 PolarHBondContact O-N 3.14Å |
| 380 | S | 80.1 | Confident | 81.6 | Confident | 64 Ų | 64 | 76.5 Ų | 76.5 | 45% | 0.448 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68 | -31.8 | 178.6 | 51.2 | 0 | 0 | 0 | 0 | 113.2 | L383 S384 | S380-L383 WeakPolarHBondContact O-CB 3.47Å; S380-L383 PolarHBondContact O-N 2.87Å; S380-S384 PolarHBondContact O-N 2.79Å; S380-S384 PolarHBondContact O-OG 3.23Å |
| 381 | D | 82.1 | Confident | 81.1 | Confident | 54 Ų | 54 | 82.2 Ų | 82.2 | 29% | 0.289 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -71.4 | -34.4 | 178.6 | 68.3 | -63.7 | 0 | 0 | 0 | 112.7 | R379 S384 K385 | R379-D381 WeakPolarHBondContact CB-OD1 3.42Å; R379-D381 IonicContact CZ-OD1 3.55Å; R379-D381 IonicContact CZ-OD2 2.85Å; R379-D381 IonicContact NE-OD1 3.48Å; R379-D381 PolarHBondContact NE-OD1 2.82Å; R379-D381 IonicContact NE-OD2 2.75Å; R379-D381 VanDerWaalsContact NH2-CG 3.33Å; R379-D381 IonicContact NH2-OD1 3.41Å; R379-D381 PolarHBondContact NH2-OD1 3.06Å; R379-D381 IonicContact NH2-OD2 2.7Å; R379-D381 PolarHBondContact NH2-OD2 3.4Å; D381-S384 PolarHBondContact O-N 2.76Å; D381-K385 WeakPolarHBondContact O-CG 3.32Å; D381-K385 PolarHBondContact O-N 3.3Å |
| 382 | H | 83.4 | Confident | 80.3 | Confident | 59 Ų | 59 | 81.7 Ų | 81.7 | 27% | 0.273 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 169.9 | -63.5 | -42.3 | 0 | 0 | 0 | 111.3 | F377 R379 S384 K385 H386 | F377-H382 HydrophobicContact CD1-CB 3.97Å; R379-H382 VanDerWaalsContact CD-CD2 3.5Å; R379-H382 WeakPolarHBondContact CD-CD2 3.38Å; R379-H382 WeakPolarHBondContact CD-NE2 3.31Å; R379-H382 PolarHBondContact NE-NE2 3.15Å; R379-H382 PolarHBondContact NH1-NE2 3.06Å; R379-H382 PolarHBondContact O-N 3.45Å; H382-S384 VanDerWaalsContact C-N 3.35Å; H382-S384 PolarHBondContact O-N 2.79Å; H382-K385 PolarHBondContact O-N 3.15Å; H382-H386 WeakPolarHBondContact O-CB 3.38Å; H382-H386 PolarHBondContact O-N 3.11Å |
| 383 | L | 85.8 | Confident | 79.1 | Confident | 23 Ų | 23 | 79.7 Ų | 79.7 | 12% | 0.12 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -57.8 | -46.2 | 171.7 | 172.8 | 62.8 | 0 | 0 | 0 | 111.3 | F368 C370 F377 R379 S380 K385 H386 I387 | F368-L383 HydrophobicContact CB-CB 4.26Å; F368-L383 HydrophobicContact CB-CD2 3.87Å; C370-L383 HydrophobicContact CB-CD1 3.82Å; F377-L383 HydrophobicContact CB-CB 4.38Å; F377-L383 HydrophobicContact CD2-CB 4.06Å; F377-L383 HydrophobicContact CD2-CD1 3.93Å; F377-L383 HydrophobicContact CE2-CD1 4.16Å; F377-L383 HydrophobicContact CG-CB 4.34Å; R379-L383 PolarHBondContact O-N 3.14Å; S380-L383 WeakPolarHBondContact O-CB 3.47Å; S380-L383 PolarHBondContact O-N 2.87Å; L383-K385 VanDerWaalsContact C-N 3.35Å; L383-K385 PolarHBondContact O-N 3.49Å; L383-H386 CarbonylContact O-C 3.16Å; L383-H386 PolarHBondContact O-N 3.3Å; L383-H386 VanDerWaalsContact O-N 3.15Å; L383-I387 HydrophobicContact CD1-CD1 3.76Å; L383-I387 HydrophobicContact CD1-CG1 3.85Å; L383-I387 HydrophobicContact CD2-CD1 4.35Å; L383-I387 HydrophobicContact CG-CD1 3.79Å; L383-I387 HydrophobicContact CG-CG1 4.3Å; L383-I387 WeakPolarHBondContact O-CG1 3.5Å; L383-I387 PolarHBondContact O-N 3.43Å |
| 384 | S | 84.3 | Confident | 77.8 | Confident | 64 Ų | 64 | 81.6 Ų | 81.6 | 45% | 0.448 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.7 | -34.6 | 179.3 | -59.7 | 0 | 0 | 0 | 0 | 113.4 | S380 D381 H382 K388 | S380-S384 PolarHBondContact O-N 2.79Å; S380-S384 PolarHBondContact O-OG 3.23Å; D381-S384 PolarHBondContact O-N 2.76Å; H382-S384 VanDerWaalsContact C-N 3.35Å; H382-S384 PolarHBondContact O-N 2.79Å; S384-K388 WeakPolarHBondContact O-CG 3.07Å |
| 385 | K | 84.6 | Confident | 76.3 | Confident | 126 Ų | 126 | 79.5 Ų | 79.5 | 55% | 0.548 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.9 | -42.8 | 170.9 | -73.7 | 174.1 | 178.6 | -179.3 | 0 | 111 | D381 H382 L383 K388 T389 | D381-K385 WeakPolarHBondContact O-CG 3.32Å; D381-K385 PolarHBondContact O-N 3.3Å; H382-K385 PolarHBondContact O-N 3.15Å; L383-K385 VanDerWaalsContact C-N 3.35Å; L383-K385 PolarHBondContact O-N 3.49Å; K385-K388 WeakPolarHBondContact O-CB 3.46Å; K385-K388 PolarHBondContact O-N 3.13Å; K385-T389 PolarHBondContact O-N 3.29Å |
| 386 | H | 85.6 | Confident | 75 | Confident | 32 Ų | 32 | 77.6 Ų | 77.6 | 15% | 0.148 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -70.2 | -36.4 | -179.5 | 174.9 | 63.3 | 0 | 0 | 0 | 113.9 | C370 C373 F377 H382 L383 K388 T389 H390 | C370-H386 VanDerWaalsContact SG-CD2 3.53Å; C373-H386 PolarHBondContact SG-NE2 3.08Å; F377-H386 HydrophobicContact CE1-CB 4.2Å; F377-H386 HydrophobicContact CE2-CB 4.1Å; F377-H386 AromaticContact CE2-CD2 3.37Å; F377-H386 WeakPolarHBondContact CE2-CD2 3.16Å; F377-H386 AromaticContact CE2-CG 3.81Å; F377-H386 HydrophobicContact CZ-CB 3.64Å; F377-H386 AromaticContact CZ-CD2 3.39Å; F377-H386 WeakPolarHBondContact CZ-CD2 3.49Å; F377-H386 AromaticContact CZ-CG 3.37Å; H382-H386 WeakPolarHBondContact O-CB 3.38Å; H382-H386 PolarHBondContact O-N 3.11Å; L383-H386 CarbonylContact O-C 3.16Å; L383-H386 PolarHBondContact O-N 3.3Å; L383-H386 VanDerWaalsContact O-N 3.15Å; H386-K388 PolarHBondContact O-N 3.41Å; H386-T389 PolarHBondContact O-N 3.49Å; H386-T389 VanDerWaalsContact O-N 3.07Å; H386-T389 PolarHBondContact O-OG1 2.68Å; H386-H390 AromaticContact CD2-NE2 3.84Å; H386-H390 AromaticContact CE1-CE1 4Å; H386-H390 AromaticContact CE1-NE2 3.25Å; H386-H390 PolarHBondContact CE1-NE2 2.83Å; H386-H390 VanDerWaalsContact CE1-NE2 3.25Å; H386-H390 AromaticContact NE2-CD2 3.84Å; H386-H390 AromaticContact NE2-NE2 3.01Å; H386-H390 PolarHBondContact NE2-NE2 3.47Å; H386-H390 PolarHBondContact O-CD2 2.76Å |
| 387 | I | 84.1 | Confident | 73.5 | Confident | 59 Ų | 59 | 79.6 Ų | 79.6 | 30% | 0.303 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.4 | -39.4 | 173.5 | -70.5 | 168.3 | 0 | 0 | 0 | 110.2 | L383 T389 H390 T391 | L383-I387 HydrophobicContact CD1-CD1 3.76Å; L383-I387 HydrophobicContact CD1-CG1 3.85Å; L383-I387 HydrophobicContact CD2-CD1 4.35Å; L383-I387 HydrophobicContact CG-CD1 3.79Å; L383-I387 HydrophobicContact CG-CG1 4.3Å; L383-I387 WeakPolarHBondContact O-CG1 3.5Å; L383-I387 PolarHBondContact O-N 3.43Å; I387-T389 VanDerWaalsContact C-N 3.26Å; I387-T389 PolarHBondContact O-N 3.07Å; I387-H390 WeakPolarHBondContact O-CB 3.43Å; I387-H390 PolarHBondContact O-N 3.41Å; I387-T391 PolarHBondContact O-N 2.96Å; I387-T391 PolarHBondContact O-OG1 3.44Å |
| 388 | K | 85.2 | Confident | 71.7 | Confident | 143 Ų | 143 | 86.8 Ų | 86.8 | 62% | 0.622 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.4 | -27.7 | 176.5 | -65.3 | 172.4 | -175.7 | -171.1 | 0 | 113.4 | S384 K385 H386 H390 T391 A392 | S384-K388 WeakPolarHBondContact O-CG 3.07Å; K385-K388 WeakPolarHBondContact O-CB 3.46Å; K385-K388 PolarHBondContact O-N 3.13Å; H386-K388 PolarHBondContact O-N 3.41Å; K388-H390 VanDerWaalsContact C-N 3.27Å; K388-H390 PolarHBondContact O-N 3.21Å; K388-T391 PolarHBondContact O-N 3.16Å; K388-A392 WeakPolarHBondContact O-CB 3.46Å; K388-A392 PolarHBondContact O-N 3.35Å |
| 389 | T | 81.9 | Confident | 70.6 | Confident | 88 Ų | 88 | 87.7 Ų | 87.7 | 54% | 0.54 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.8 | -24.1 | 175 | 59.1 | 0 | 0 | 0 | 0 | 112.8 | K385 H386 I387 | K385-T389 PolarHBondContact O-N 3.29Å; H386-T389 PolarHBondContact O-N 3.49Å; H386-T389 VanDerWaalsContact O-N 3.07Å; H386-T389 PolarHBondContact O-OG1 2.68Å; I387-T389 VanDerWaalsContact C-N 3.26Å; I387-T389 PolarHBondContact O-N 3.07Å |
| 390 | H | 78.9 | Confident | 68.8 | Low | 71 Ų | 71 | 88.1 Ų | 88.1 | 33% | 0.329 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -77 | -30.3 | 170.7 | -63.7 | -72.7 | 0 | 0 | 0 | 112.6 | V372 C373 H386 I387 K388 | V372-H390 HydrophobicContact CB-CB 4.48Å; V372-H390 HydrophobicContact CG1-CB 4.14Å; V372-H390 HydrophobicContact CG2-CB 4.4Å; C373-H390 VanDerWaalsContact SG-CE1 3.6Å; C373-H390 PolarHBondContact SG-NE2 3.49Å; C373-H390 VanDerWaalsContact SG-NE2 3.39Å; H386-H390 AromaticContact CD2-NE2 3.84Å; H386-H390 AromaticContact CE1-CE1 4Å; H386-H390 AromaticContact CE1-NE2 3.25Å; H386-H390 PolarHBondContact CE1-NE2 2.83Å; H386-H390 VanDerWaalsContact CE1-NE2 3.25Å; H386-H390 AromaticContact NE2-CD2 3.84Å; H386-H390 AromaticContact NE2-NE2 3.01Å; H386-H390 PolarHBondContact NE2-NE2 3.47Å; H386-H390 PolarHBondContact O-CD2 2.76Å; I387-H390 WeakPolarHBondContact O-CB 3.43Å; I387-H390 PolarHBondContact O-N 3.41Å; K388-H390 VanDerWaalsContact C-N 3.27Å; K388-H390 PolarHBondContact O-N 3.21Å |
| 391 | T | 73.2 | Confident | 67.2 | Low | 120 Ų | 120 | 93.3 Ų | 93.3 | 74% | 0.736 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -85.3 | -27.7 | -178.7 | -39.1 | 0 | 0 | 0 | 0 | 113.4 | I387 K388 | I387-T391 PolarHBondContact O-N 2.96Å; I387-T391 PolarHBondContact O-OG1 3.44Å; K388-T391 PolarHBondContact O-N 3.16Å |
| 392 | A | 64.4 | Low | 65.4 | Low | 92 Ų | 92 | 93.9 Ų | 93.9 | 76% | 0.76 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -96.6 | -3.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | K388 | K388-A392 WeakPolarHBondContact O-CB 3.46Å; K388-A392 PolarHBondContact O-N 3.35Å |
| 393 | G | 56.1 | Low | 63.4 | Low | 51 Ų | 51 | 98.2 Ų | 98.2 | 53% | 0.526 | 61% | 0.614 | S | S | . | * | trans | -158.9 | 107.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 394 | G | 55.1 | Low | 61.3 | Low | 88 Ų | 88 | 101.9 Ų | 101.9 | 91% | 0.907 | 64% | 0.638 | S | S | * | * | trans | -72 | 155.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 395 | G | 48.9 | Very low | 59.2 | Low | 82 Ų | 82 | 104.5 Ų | 104.5 | 85% | 0.845 | 65% | 0.647 | S | S | * | * | trans | 101 | 75.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 396 | G | 51.8 | Low | 57.1 | Low | 73 Ų | 73 | 104.1 Ų | 104.1 | 75% | 0.753 | 66% | 0.655 | S | S | * | * | trans | -72 | -168.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 397 | K | 46.3 | Very low | 54.9 | Low | 204 Ų | 204 | 107.7 Ų | 107.7 | 89% | 0.887 | 68% | 0.684 | S | S | * | * | trans | -161.6 | 142.6 | 134.8 | -107.1 | 159.7 | -170.4 | 176.2 | 0 | 111 | ||||
| 398 | K | 41.7 | Very low | 52.5 | Low | 198 Ų | 198 | 111.3 Ų | 111.3 | 86% | 0.861 | 70% | 0.704 | S | S | * | * | trans | 23.9 | 136.8 | 159.9 | -74.5 | -178 | 167.8 | -176.8 | 0 | 119.6 | S400 | K398-S400 PolarHBondContact O-N 2.97Š| ||
| 399 | G | 52.7 | Low | 50.4 | Low | 79 Ų | 79 | 110.1 Ų | 110.1 | 81% | 0.814 | 70% | 0.704 | S | S | * | * | trans | -56 | 132.8 | 154.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 400 | S | 39.2 | Very low | 47.9 | Very low | 81 Ų | 81 | 113 Ų | 113 | 57% | 0.566 | 71% | 0.711 | S | S | * | * | trans | -123 | 122.5 | 152.5 | 56.4 | 0 | 0 | 0 | 0 | 105.9 | K398 S402 | K398-S400 PolarHBondContact O-N 2.97Å; S400-S402 PolarHBondContact O-N 3.2Å; S400-S402 VanDerWaalsContact O-N 3.13Å | ||
| 401 | D | 46.3 | Very low | 45.7 | Very low | 172 Ų | 172 | 114.4 Ų | 114.4 | 92% | 0.92 | 73% | 0.725 | S | S | * | * | trans | -63.6 | 111.2 | 166 | -56.6 | -68.3 | 0 | 0 | 0 | 107.3 | ||||
| 402 | S | 43.3 | Very low | 43.7 | Very low | 67 Ų | 67 | 114 Ų | 114 | 47% | 0.469 | 72% | 0.724 | S | S | . | * | trans | -152.4 | 99.6 | 174.8 | 64.2 | 0 | 0 | 0 | 0 | 107.3 | S400 T404 | S400-S402 PolarHBondContact O-N 3.2Å; S400-S402 VanDerWaalsContact O-N 3.13Å; S402-T404 PolarHBondContact O-N 3.49Å | ||
| 403 | D | 42.2 | Very low | 42.3 | Very low | 149 Ų | 149 | 120.1 Ų | 120.1 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | trans | -67 | 69.4 | 163.9 | -72.4 | -66.3 | 0 | 0 | 0 | 109.5 | D405 | D403-D405 VanDerWaalsContact C-N 3.31Å; D403-D405 PolarHBondContact O-N 3.1Å; D403-D405 VanDerWaalsContact O-N 3.15Å | ||
| 404 | T | 40.8 | Very low | 41.1 | Very low | 100 Ų | 100 | 121 Ų | 121 | 61% | 0.613 | 73% | 0.726 | S | S | * | * | trans | -80.6 | 88.3 | 163 | 50.2 | 0 | 0 | 0 | 0 | 107 | S402 T406 | S402-T404 PolarHBondContact O-N 3.49Å; T404-T406 PolarHBondContact O-N 2.86Å | ||
| 405 | D | 41.1 | Very low | 40 | Very low | 119 Ų | 119 | 124 Ų | 124 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | trans | -63.4 | 79.6 | 163.4 | -90.2 | -25.8 | 0 | 0 | 0 | 109.1 | K366 D403 S407 | K366-D405 IonicContact NZ-OD1 2.76Å; K366-D405 PolarHBondContact NZ-OD1 3.28Å; D403-D405 VanDerWaalsContact C-N 3.31Å; D403-D405 PolarHBondContact O-N 3.1Å; D403-D405 VanDerWaalsContact O-N 3.15Å; D405-S407 PolarHBondContact O-N 3.26Å | ||
| 406 | T | 40.7 | Very low | 39.3 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 72% | 0.724 | 71% | 0.708 | S | S | * | * | trans | -69.2 | 75 | 155.9 | 39.5 | 0 | 0 | 0 | 0 | 107.7 | T404 N408 | T404-T406 PolarHBondContact O-N 2.86Å; T406-N408 PolarHBondContact O-N 2.75Å | ||
| 407 | S | 40.3 | Very low | 38.8 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | trans | -65.3 | 46.5 | 156.1 | 52.6 | 0 | 0 | 0 | 0 | 110.1 | D405 L409 | D405-S407 PolarHBondContact O-N 3.26Å; S407-L409 PolarHBondContact O-N 3.38Å | ||
| 408 | N | 31.7 | Very low | 38 | Very low | 135 Ų | 135 | 125.9 Ų | 125.9 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | trans | -72.1 | 97.6 | -178.9 | -156.4 | -16.7 | 0 | 0 | 0 | 107.3 | T406 E410 | T406-N408 PolarHBondContact O-N 2.75Å; N408-E410 VanDerWaalsContact C-N 3.26Å; N408-E410 PolarHBondContact O-N 2.79Å | ||
| 409 | L | 42.8 | Very low | 37.6 | Very low | 118 Ų | 118 | 125 Ų | 125 | 62% | 0.618 | 71% | 0.712 | S | S | * | * | trans | -71.7 | 84.2 | -176 | -161.8 | 78.5 | 0 | 0 | 0 | 107.8 | S407 T411 | S407-L409 PolarHBondContact O-N 3.38Å; L409-T411 PolarHBondContact O-N 2.87Å; L409-T411 PolarHBondContact O-OG1 3.11Å | ||
| 410 | E | 27.7 | Very low | 36.7 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 69% | 0.687 | 71% | 0.707 | S | S | * | * | trans | -61.3 | 81.5 | 163.4 | -78.7 | -167.8 | 111.8 | 0 | 0 | 108.1 | N408 P412 | N408-E410 VanDerWaalsContact C-N 3.26Å; N408-E410 PolarHBondContact O-N 2.79Å; E410-P412 VanDerWaalsContact O-CD 3.29Å; E410-P412 WeakPolarHBondContact O-CD 3.41Å | ||
| 411 | T | 32.8 | Very low | 36.5 | Very low | 101 Ų | 101 | 132 Ų | 132 | 62% | 0.62 | 72% | 0.722 | S | S | * | * | trans | -58 | 116 | 167.9 | -59.4 | 0 | 0 | 0 | 0 | 106.3 | L409 R413 | L409-T411 PolarHBondContact O-N 2.87Å; L409-T411 PolarHBondContact O-OG1 3.11Å; T411-R413 PolarHBondContact O-N 3.13Å | ||
| 412 | P | 31.5 | Very low | 35.8 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | trans | -62 | 116.7 | 168.3 | 26.2 | -31.2 | 0 | 0 | 0 | 106.5 | E410 S414 | E410-P412 VanDerWaalsContact O-CD 3.29Å; E410-P412 WeakPolarHBondContact O-CD 3.41Å; P412-S414 VanDerWaalsContact C-N 3.29Å; P412-S414 PolarHBondContact O-N 3.48Å | ||
| 413 | R | 34.6 | Very low | 35.2 | Very low | 219 Ų | 219 | 132.6 Ų | 132.6 | 83% | 0.826 | 73% | 0.731 | S | S | * | * | trans | -55.8 | 94.8 | 172.7 | -85.5 | -172.1 | 172.5 | -153.3 | 3.5 | 109.1 | T411 E415 | T411-R413 PolarHBondContact O-N 3.13Å; R413-E415 IonicContact NH1-OE1 3.49Å; R413-E415 PolarHBondContact NH1-OE1 3.46Å | ||
| 414 | S | 32.3 | Very low | 35 | Very low | 71 Ų | 71 | 132.7 Ų | 132.7 | 50% | 0.497 | 74% | 0.736 | S | S | . | * | trans | -89.3 | 92.6 | 154.2 | 55.5 | 0 | 0 | 0 | 0 | 106.3 | P412 S416 | P412-S414 VanDerWaalsContact C-N 3.29Å; P412-S414 PolarHBondContact O-N 3.48Å; S414-S416 PolarHBondContact O-N 3.07Å; S414-S416 VanDerWaalsContact O-N 3.13Å | ||
| 415 | E | 32.5 | Very low | 34.8 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | -60.6 | 112.5 | 163.8 | -70.5 | 167 | 164.2 | 0 | 0 | 107 | R413 | R413-E415 IonicContact NH1-OE1 3.49Å; R413-E415 PolarHBondContact NH1-OE1 3.46Å | ||
| 416 | S | 32.8 | Very low | 34.9 | Very low | 94 Ų | 94 | 135 Ų | 135 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | trans | -130.5 | 135.7 | 170.2 | -71.5 | 0 | 0 | 0 | 0 | 106.3 | S414 | S414-S416 PolarHBondContact O-N 3.07Å; S414-S416 VanDerWaalsContact O-N 3.13Å | ||
| 417 | P | 41 | Very low | 34.5 | Very low | 130 Ų | 130 | 140 Ų | 140 | 84% | 0.844 | 76% | 0.757 | S | S | * | * | trans | -69.2 | 137.2 | -167.8 | 27.2 | -34.5 | 0 | 0 | 0 | 111.8 | ||||
| 418 | E | 30.7 | Very low | 34.3 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | trans | -65.9 | 141.5 | 168.9 | -62.4 | -176.3 | 123.6 | 0 | 0 | 110.4 | ||||
| 419 | L | 33.7 | Very low | 34.4 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 94% | 0.937 | 76% | 0.759 | S | S | * | * | trans | -116.7 | 115 | 154.3 | -74 | -180 | 0 | 0 | 0 | 107.5 | ||||
| 420 | I | 33 | Very low | 34 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 70% | 0.703 | 77% | 0.765 | S | S | * | * | trans | -78.7 | 131.1 | 179.6 | -61.6 | 166.2 | 0 | 0 | 0 | 108.7 | ||||
| 421 | L | 34.1 | Very low | 34.3 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | trans | -155.6 | 108.1 | 148.1 | -109.7 | 140.5 | 0 | 0 | 0 | 108.9 | ||||
| 422 | E | 32.6 | Very low | 34.5 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -61 | 155.7 | 159.2 | -52.8 | -167.7 | 118.1 | 0 | 0 | 108.6 | ||||
| 423 | G | 31.1 | Very low | 35.2 | Very low | 69 Ų | 69 | 146.3 Ų | 146.3 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | cis | 145.3 | 149 | 8.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 424 | V | 36.8 | Very low | 35.3 | Very low | 151 Ų | 151 | 141.1 Ų | 141.1 | 92% | 0.915 | 78% | 0.779 | S | S | * | * | trans | -167.4 | 135.4 | 160.3 | 137.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 425 | N | 37.8 | Very low | 36.3 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -87.2 | 153.1 | -177.3 | -112.1 | -50.9 | 0 | 0 | 0 | 112.2 | ||||
| 426 | P | 43.6 | Very low | 36.3 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -86.3 | 125.5 | 169.3 | 33.5 | -29.1 | 0 | 0 | 0 | 111.1 | ||||
| 427 | R | 31.7 | Very low | 36.7 | Very low | 223 Ų | 223 | 145.8 Ų | 145.8 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -154.2 | 110 | 165.5 | -164.7 | 173.6 | -174 | 172.1 | 2.3 | 111.8 | ||||
| 428 | I | 35.6 | Very low | 36.2 | Very low | 172 Ų | 172 | 148.3 Ų | 148.3 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | -123.1 | 111.5 | 162 | -60.7 | 179.6 | 0 | 0 | 0 | 107.7 | ||||
| 429 | T | 34.7 | Very low | 37.8 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 63% | 0.626 | 82% | 0.815 | S | S | * | * | trans | -102.7 | 152.1 | 153.8 | 47 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 430 | V | 34.3 | Very low | 38 | Very low | 123 Ų | 123 | 147.4 Ų | 147.4 | 75% | 0.745 | 81% | 0.809 | S | S | * | * | -176.3 | 149.8 | 69.5 | 169.1 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 431 | K | 33.6 | Very low | 38.2 | Very low | 189 Ų | 189 | 147.9 Ų | 147.9 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | 154.5 | 109.4 | 115.3 | -153.2 | 139.7 | -171.4 | 174.7 | 0 | 114.4 | |||||
| 432 | D | 35.8 | Very low | 38.5 | Very low | 146 Ų | 146 | 146.7 Ų | 146.7 | 78% | 0.781 | 81% | 0.81 | S | S | * | * | trans | -75.5 | 156.5 | 155.2 | -59.4 | -61.6 | 0 | 0 | 0 | 110.1 | ||||
| 433 | P | 46 | Very low | 38.8 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | -145.2 | 141.9 | 100.9 | 36.6 | -21.1 | 0 | 0 | 0 | 115.9 | |||||
| 434 | S | 38.1 | Very low | 39.3 | Very low | 111 Ų | 111 | 149.3 Ų | 149.3 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -79 | 170.7 | 151.9 | -53 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 435 | P | 52.2 | Low | 39.5 | Very low | 103 Ų | 103 | 149.1 Ų | 149.1 | 67% | 0.669 | 81% | 0.807 | S | S | * | * | cis | -136.7 | 177 | 17.1 | 42.2 | -24.2 | 0 | 0 | 0 | 116.1 | ||||
| 436 | H | 33.4 | Very low | 39.6 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | 173.1 | 128.5 | 122.5 | -96.5 | -70.9 | 0 | 0 | 0 | 113 | |||||
| 437 | D | 40.6 | Very low | 39.3 | Very low | 147 Ų | 147 | 151.5 Ų | 151.5 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | 31.2 | 141.7 | 147.9 | -55.3 | -58.7 | 0 | 0 | 0 | 125.1 | ||||
| 438 | E | 31.8 | Very low | 39.9 | Very low | 183 Ų | 183 | 145.5 Ų | 145.5 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -71.3 | 177.5 | 167.7 | -98.7 | -159.1 | 170.2 | 0 | 0 | 113.7 | ||||
| 439 | P | 62.6 | Low | 40.3 | Very low | 185 Ų | 185 | 143.1 Ų | 143.1 | 100% | 1.201 | 80% | 0.801 | S | S | * | * | cis | -127.4 | 0 | 16.1 | 42.4 | -27.1 | 0 | 0 | 0 | 117.8 |
Retrieved 439 of 439 residues in 136.7 ms
(Link to these results)