| 1 | M | 33.4 | Very low | 38.1 | Very low | 241 Ų | 241 | 139.4 Ų | 139.4 | 100% | 1.187 | 85% | 0.85 | S | S | * | * | | | | 0 | 136.8 | 0 | -76 | -58.1 | -162.6 | 0 | 0 | 108.3 | | |
| 2 | A | 35.7 | Very low | 38.4 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 80% | 0.802 | 84% | 0.844 | S | S | * | * | | | trans | 56.5 | 126.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 3 | V | 38.1 | Very low | 38.7 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 83% | 0.83 | 84% | 0.839 | S | S | * | * | | | cis | 90.6 | 88.8 | 23.8 | -171.2 | 0 | 0 | 0 | 0 | 115.2 | | |
| 4 | A | 41.9 | Very low | 39.3 | Very low | 86 Ų | 86 | 132.7 Ų | 132.7 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | | | trans | 42.9 | 125 | 132.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 5 | R | 40.1 | Very low | 39.7 | Very low | 253 Ų | 253 | 132.5 Ų | 132.5 | 96% | 0.955 | 83% | 0.832 | S | S | * | * | | | | -173.1 | 152.2 | 125 | -96.3 | 148.2 | 176.2 | 166.7 | -2 | 107.9 | | |
| 6 | G | 34.2 | Very low | 39.5 | Very low | 71 Ų | 71 | 135.3 Ų | 135.3 | 73% | 0.732 | 83% | 0.831 | S | S | * | * | | | cis | 136.8 | 85.8 | 2.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 7 | V | 41.8 | Very low | 39 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 89% | 0.891 | 83% | 0.828 | S | S | * | * | | | trans | -125.6 | 130.3 | -179.7 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 8 | G | 34.1 | Very low | 38.7 | Very low | 71 Ų | 71 | 140.5 Ų | 140.5 | 73% | 0.732 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 152 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 9 | S | 37.1 | Very low | 38.2 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 149.2 | 166.9 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 10 | P | 43.2 | Very low | 37.9 | Very low | 126 Ų | 126 | 149.8 Ų | 149.8 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 151.8 | 174 | 31.5 | -35.1 | 0 | 0 | 0 | 112.5 | | |
| 11 | E | 39.7 | Very low | 37.5 | Very low | 185 Ų | 185 | 145.9 Ų | 145.9 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 137.9 | 179.2 | -172.8 | -177 | 169.9 | 0 | 0 | 112.1 | | |
| 12 | P | 41.7 | Very low | 37.4 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 123.8 | 176.7 | 31.4 | -33.1 | 0 | 0 | 0 | 112.4 | | |
| 13 | A | 42.5 | Very low | 37.2 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 78% | 0.777 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 149.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 14 | P | 47.3 | Very low | 36.8 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 153.3 | -179.7 | 30.9 | -36.1 | 0 | 0 | 0 | 113.7 | | |
| 15 | P | 44.5 | Very low | 36.5 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 84% | 0.844 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 141 | -176.9 | 28.7 | -35.1 | 0 | 0 | 0 | 113.5 | | |
| 16 | Q | 36.3 | Very low | 36 | Very low | 177 Ų | 177 | 132.4 Ų | 132.4 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 137 | -174.9 | -75.3 | -73.2 | -2.6 | 0 | 0 | 114.1 | | |
| 17 | L | 32.2 | Very low | 36 | Very low | 148 Ų | 148 | 137.7 Ų | 137.7 | 78% | 0.775 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 117.6 | 171 | -93 | 158.7 | 0 | 0 | 0 | 110.9 | K19 | L17-K19 PolarHBondContact O-N 3.04Å; L17-K19 VanDerWaalsContact O-N 3.08Å |
| 18 | Y | 33 | Very low | 36.3 | Very low | 216 Ų | 216 | 136.6 Ų | 136.6 | 85% | 0.847 | 82% | 0.815 | S | S | * | * | | | trans | -68.1 | 102.8 | 175.2 | 28.5 | -92.3 | 0 | 0 | 0 | 111.5 | | |
| 19 | K | 30 | Very low | 36.2 | Very low | 205 Ų | 205 | 136.1 Ų | 136.1 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 128.5 | 168.6 | -68.7 | 178.2 | 179 | 175.1 | 0 | 109.9 | L17 | L17-K19 PolarHBondContact O-N 3.04Å; L17-K19 VanDerWaalsContact O-N 3.08Å |
| 20 | W | 31.5 | Very low | 35.8 | Very low | 262 Ų | 262 | 137 Ų | 137 | 99% | 0.992 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -96 | 119.8 | 160.7 | -141.9 | 1 | 0 | 0 | 0 | 108.3 | | |
| 21 | G | 29.5 | Very low | 35.1 | Very low | 67 Ų | 67 | 135.4 Ų | 135.4 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 139.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 22 | G | 31.3 | Very low | 34.9 | Very low | 82 Ų | 82 | 133.3 Ų | 133.3 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 130.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 23 | C | 30.8 | Very low | 34.3 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 121.2 | 169.4 | -59.2 | 0 | 0 | 0 | 0 | 109 | | |
| 24 | G | 30.9 | Very low | 34.1 | Very low | 65 Ų | 65 | 141 Ų | 141 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | | | trans | -90.8 | -171.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 25 | L | 34.4 | Very low | 33.4 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 98% | 0.979 | 82% | 0.815 | S | S | * | * | | | trans | 69.3 | 143.5 | -165.7 | -45.2 | 170.4 | 0 | 0 | 0 | 111.8 | | |
| 26 | G | 29.5 | Very low | 33 | Very low | 66 Ų | 66 | 145 Ų | 145 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | | | cis | 168.2 | 143.7 | -4.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 27 | E | 35.2 | Very low | 32.9 | Very low | 182 Ų | 182 | 141.6 Ų | 141.6 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | | | trans | -60.1 | 143.7 | 174.2 | -71.3 | -74.1 | 132.1 | 0 | 0 | 110.4 | | |
| 28 | P | 46.9 | Very low | 32.8 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | | | | -133.3 | 138.2 | 92.7 | 36.8 | -27.7 | 0 | 0 | 0 | 113.7 | | |
| 29 | G | 31.9 | Very low | 32.8 | Very low | 62 Ų | 62 | 133.6 Ų | 133.6 | 64% | 0.639 | 82% | 0.819 | S | S | * | * | | | trans | -78 | 148.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 30 | C | 28.7 | Very low | 33 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 93% | 0.932 | 82% | 0.822 | S | S | * | * | | | trans | -151.1 | 169.6 | 156.8 | -146.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 31 | A | 30.3 | Very low | 33 | Very low | 91 Ų | 91 | 126.1 Ų | 126.1 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | | | trans | -78.5 | 140 | -155.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 32 | L | 33.9 | Very low | 33.2 | Very low | 142 Ų | 142 | 135 Ų | 135 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | | | | 36 | 112.3 | 128.3 | -166.2 | 84.7 | 0 | 0 | 0 | 119.6 | | |
| 33 | E | 29.1 | Very low | 33.2 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | | | trans | -151.8 | 150.8 | 143.4 | -120.1 | -80 | 70.8 | 0 | 0 | 109.7 | | |
| 34 | R | 38.6 | Very low | 33.4 | Very low | 208 Ų | 208 | 134 Ų | 134 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -112.5 | 117.7 | -168.2 | -57.8 | -176.7 | -166.5 | -163.7 | 4.5 | 112.8 | | |
| 35 | R | 33.1 | Very low | 33.4 | Very low | 240 Ų | 240 | 143 Ų | 143 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | | | trans | -133.6 | 116.3 | 156.9 | -66 | -167.8 | -179.8 | -156.1 | -1.7 | 111.5 | | |
| 36 | G | 36 | Very low | 33.2 | Very low | 87 Ų | 87 | 140.7 Ų | 140.7 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 124.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 37 | A | 33.6 | Very low | 33.3 | Very low | 104 Ų | 104 | 148.8 Ų | 148.8 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -91 | 118.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | A39 | A37-A39 PolarHBondContact O-N 3.42Š|
| 38 | A | 30.8 | Very low | 33.1 | Very low | 96 Ų | 96 | 144.6 Ų | 144.6 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -71 | 117.1 | -173 | 0 | 0 | 0 | 0 | 0 | 113.2 | R40 | A38-R40 PolarHBondContact O-N 3.3Š|
| 39 | A | 33.2 | Very low | 32.5 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | | | trans | -66.3 | 113.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | A37 G41 | A37-A39 PolarHBondContact O-N 3.42Å; A39-G41 VanDerWaalsContact C-N 3.28Å; A39-G41 PolarHBondContact O-N 3.02Å |
| 40 | R | 34.5 | Very low | 32.4 | Very low | 248 Ų | 248 | 152.9 Ų | 152.9 | 94% | 0.936 | 83% | 0.833 | S | S | * | * | | | trans | -72.2 | 74.5 | -179.3 | -70 | -172.7 | 175.7 | -167.9 | -0.4 | 112.8 | A38 | A38-R40 PolarHBondContact O-N 3.3Š|
| 41 | G | 31.6 | Very low | 32.5 | Very low | 62 Ų | 62 | 153.5 Ų | 153.5 | 64% | 0.639 | 83% | 0.826 | S | S | * | * | | | trans | -63.2 | 132.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A39 C43 | A39-G41 VanDerWaalsContact C-N 3.28Å; A39-G41 PolarHBondContact O-N 3.02Å; G41-C43 PolarHBondContact O-N 3.08Å; G41-C43 VanDerWaalsContact O-N 3.16Å |
| 42 | R | 33.3 | Very low | 32.7 | Very low | 253 Ų | 253 | 154.6 Ų | 154.6 | 96% | 0.955 | 83% | 0.825 | S | S | * | * | | | trans | -82.1 | 90.6 | 176.5 | -63.1 | -175 | -167 | -133.1 | 1.3 | 110.4 | G44 | R42-G44 PolarHBondContact O-N 3.29Å; R42-G44 VanDerWaalsContact O-N 3.14Å |
| 43 | C | 30.3 | Very low | 32.7 | Very low | 127 Ų | 127 | 154.6 Ų | 154.6 | 86% | 0.858 | 83% | 0.826 | S | S | * | * | | | trans | -64.3 | 111.2 | 171 | -64.5 | 0 | 0 | 0 | 0 | 110.6 | G41 | G41-C43 PolarHBondContact O-N 3.08Å; G41-C43 VanDerWaalsContact O-N 3.16Å |
| 44 | G | 35.5 | Very low | 32.6 | Very low | 66 Ų | 66 | 152.1 Ų | 152.1 | 68% | 0.68 | 83% | 0.828 | S | S | * | * | | | trans | -70 | 129 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | R42 V46 | R42-G44 PolarHBondContact O-N 3.29Å; R42-G44 VanDerWaalsContact O-N 3.14Å; G44-V46 PolarHBondContact O-N 3.02Å |
| 45 | R | 31.1 | Very low | 32.2 | Very low | 254 Ų | 254 | 152 Ų | 152 | 96% | 0.958 | 83% | 0.833 | S | S | * | * | | | trans | -65.5 | 104.1 | 176.4 | -76.4 | -178 | 172.1 | 178.4 | -3.6 | 110.7 | | |
| 46 | V | 30.9 | Very low | 32.1 | Very low | 138 Ų | 138 | 150.1 Ų | 150.1 | 84% | 0.836 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 132.7 | 159.7 | -179.7 | 0 | 0 | 0 | 0 | 107.9 | G44 | G44-V46 PolarHBondContact O-N 3.02Š|
| 47 | R | 31.6 | Very low | 31.8 | Very low | 235 Ų | 235 | 157.7 Ų | 157.7 | 89% | 0.887 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 133.9 | 170.5 | -79.1 | -178.1 | 170.9 | 177.3 | -3.3 | 109 | | |
| 48 | A | 30.3 | Very low | 31.5 | Very low | 94 Ų | 94 | 156.1 Ų | 156.1 | 78% | 0.777 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 133.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 49 | P | 33.4 | Very low | 31.5 | Very low | 120 Ų | 120 | 160.5 Ų | 160.5 | 78% | 0.779 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 149.7 | 165.7 | 31.3 | -33.2 | 0 | 0 | 0 | 109.8 | | |
| 50 | R | 29.9 | Very low | 31.2 | Very low | 240 Ų | 240 | 161.5 Ų | 161.5 | 91% | 0.906 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 146.4 | 169.5 | -67.9 | -177.6 | 175.5 | -175.4 | -2.6 | 109.6 | | |
| 51 | L | 31 | Very low | 31.3 | Very low | 152 Ų | 152 | 155.7 Ų | 155.7 | 80% | 0.796 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 141.4 | 163 | -87.4 | 68 | 0 | 0 | 0 | 109.7 | | |
| 52 | P | 35.9 | Very low | 31.3 | Very low | 113 Ų | 113 | 162.2 Ų | 162.2 | 73% | 0.734 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 116.1 | 153.2 | 32.9 | -23.5 | 0 | 0 | 0 | 109.6 | | |
| 53 | D | 32.4 | Very low | 32.3 | Very low | 142 Ų | 142 | 156.4 Ų | 156.4 | 76% | 0.759 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 134.1 | 164.4 | -67.5 | -62.3 | 0 | 0 | 0 | 109.8 | | |
| 54 | S | 28.8 | Very low | 32.1 | Very low | 115 Ų | 115 | 153.8 Ų | 153.8 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | | | trans | -158.3 | 118.5 | 168.8 | -76.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 55 | F | 29.5 | Very low | 31.9 | Very low | 205 Ų | 205 | 155.9 Ų | 155.9 | 90% | 0.899 | 84% | 0.839 | S | S | * | * | | | trans | -72.2 | 154.9 | -179.6 | -80.7 | -108.6 | 0 | 0 | 0 | 112 | | |
| 56 | H | 30.5 | Very low | 31.7 | Very low | 201 Ų | 201 | 155.3 Ų | 155.3 | 93% | 0.931 | 84% | 0.837 | S | S | * | * | | | trans | -57.5 | 146.1 | 169.1 | -85.1 | -90.2 | 0 | 0 | 0 | 112 | | |
| 57 | R | 30.3 | Very low | 31.7 | Very low | 245 Ų | 245 | 153.2 Ų | 153.2 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | | | trans | -135.7 | 119.8 | 160.8 | -151.2 | 177.8 | -162.1 | -150.5 | 2.4 | 109.8 | | |
| 58 | G | 27.4 | Very low | 32.5 | Very low | 71 Ų | 71 | 147.2 Ų | 147.2 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | | | trans | -80.6 | 177.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 59 | E | 30.1 | Very low | 32.6 | Very low | 188 Ų | 188 | 154.1 Ų | 154.1 | 88% | 0.879 | 83% | 0.832 | S | S | * | * | | | trans | -100.7 | -174.4 | -166.9 | -59.8 | -174.2 | 91.8 | 0 | 0 | 114.8 | | |
| 60 | C | 27.2 | Very low | 32.5 | Very low | 122 Ų | 122 | 153.5 Ų | 153.5 | 82% | 0.824 | 83% | 0.83 | S | S | * | * | | | trans | 78.5 | 156 | 169.5 | -59.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 61 | P | 36.5 | Very low | 32.7 | Very low | 126 Ų | 126 | 146.2 Ų | 146.2 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | cis | -128.6 | -159.2 | -47.4 | 37.9 | -23.3 | 0 | 0 | 0 | 112.3 | | |
| 62 | K | 32.2 | Very low | 32.8 | Very low | 200 Ų | 200 | 150.5 Ų | 150.5 | 87% | 0.87 | 83% | 0.826 | S | S | * | * | | | trans | -90.6 | -170.5 | -176 | -47.3 | -177.3 | 179.4 | 175.7 | 0 | 113 | | |
| 63 | P | 52.8 | Low | 32.5 | Very low | 130 Ų | 130 | 151.2 Ų | 151.2 | 84% | 0.844 | 83% | 0.833 | S | S | * | * | | | | -127.1 | 170 | -107.4 | 37.4 | -17.4 | 0 | 0 | 0 | 115.8 | | |
| 64 | G | 27.8 | Very low | 32.4 | Very low | 73 Ų | 73 | 147.9 Ų | 147.9 | 75% | 0.753 | 83% | 0.832 | S | S | * | * | | | trans | 179.4 | 164.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 65 | A | 30.5 | Very low | 32.5 | Very low | 110 Ų | 110 | 151.3 Ų | 151.3 | 91% | 0.909 | 84% | 0.835 | S | S | * | * | | | trans | 66 | 116.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 66 | R | 27.9 | Very low | 33.6 | Very low | 241 Ų | 241 | 145.9 Ų | 145.9 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | | | trans | -47.2 | 133.5 | 173.1 | -61.3 | 165.8 | 170.2 | -169.7 | -4 | 118 | | |
| 67 | A | 29.3 | Very low | 33.7 | Very low | 95 Ų | 95 | 143.6 Ų | 143.6 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | | | | 53.5 | 177.9 | 115.8 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 68 | P | 48.2 | Very low | 34.6 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | | | cis | -136.5 | 166.1 | -13.7 | 38.8 | -21.5 | 0 | 0 | 0 | 117 | | |
| 69 | R | 32.8 | Very low | 35.8 | Very low | 240 Ų | 240 | 139.7 Ų | 139.7 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | | | trans | 68.4 | 159.2 | 146.3 | -78 | 168 | -175.2 | -170.6 | -0.2 | 118.9 | | |
| 70 | S | 32.6 | Very low | 35.9 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | | | cis | -162.4 | 168.7 | -1.9 | 41.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 71 | A | 32.4 | Very low | 36.3 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 72% | 0.719 | 81% | 0.806 | S | S | * | * | | | trans | 73.4 | 123.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 72 | R | 34.5 | Very low | 37.2 | Very low | 242 Ų | 242 | 134.8 Ų | 134.8 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | | | | 70.7 | 142.7 | 66.4 | -73 | -171.2 | 178.4 | -151.4 | 1.1 | 113.8 | | |
| 73 | C | 29.5 | Very low | 37.9 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | | | cis | 151.5 | 132.2 | -22.6 | -92.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 74 | G | 30.6 | Very low | 37.8 | Very low | 73 Ų | 73 | 130.1 Ų | 130.1 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | trans | 105.4 | 132.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 75 | E | 30.3 | Very low | 38 | Very low | 186 Ų | 186 | 131.2 Ų | 131.2 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | | | cis | 79.5 | 148.6 | 35.3 | -75.6 | -146 | 95.6 | 0 | 0 | 116.2 | | |
| 76 | P | 51.5 | Low | 38 | Very low | 91 Ų | 91 | 137.6 Ų | 137.6 | 59% | 0.591 | 80% | 0.796 | S | S | * | * | | | cis | -146 | -164.7 | -32.6 | 39.3 | -19 | 0 | 0 | 0 | 115.3 | | |
| 77 | L | 32.4 | Very low | 38.5 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | | | trans | 83.6 | 172.4 | 157.4 | -65.4 | 169.4 | 0 | 0 | 0 | 118.9 | | |
| 78 | P | 49.6 | Very low | 38.8 | Very low | 114 Ų | 114 | 136 Ų | 136 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | | | | -127.3 | -126.3 | -91.9 | 31.5 | -5.5 | 0 | 0 | 0 | 117.4 | | |
| 79 | P | 54 | Low | 38.1 | Very low | 119 Ų | 119 | 136 Ų | 136 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | | -126.8 | 162.2 | -103.6 | 40.1 | -23.3 | 0 | 0 | 0 | 118.2 | | |
| 80 | A | 31.6 | Very low | 38.3 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 88% | 0.884 | 80% | 0.799 | S | S | * | * | | | trans | -167.5 | 168 | 155.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 81 | S | 34.7 | Very low | 38.4 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | | | trans | -155.5 | 176.6 | -177.9 | 67.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 82 | P | 55.9 | Low | 38.5 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | | | cis | -113.3 | -100.5 | -8.3 | 30.4 | -7.6 | 0 | 0 | 0 | 112.2 | | |
| 83 | P | 47.6 | Very low | 38.5 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | | | cis | -113.6 | -115.8 | -10.7 | 30.2 | -4.1 | 0 | 0 | 0 | 114.5 | | |
| 84 | P | 49.3 | Very low | 38.9 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | | | trans | -127.9 | 132 | -138.1 | 36.3 | -13.8 | 0 | 0 | 0 | 120.6 | | |
| 85 | A | 32.2 | Very low | 39.1 | Very low | 96 Ų | 96 | 150.6 Ų | 150.6 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | | | trans | 55.4 | 120.4 | 130.1 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 86 | R | 31.4 | Very low | 39.4 | Very low | 244 Ų | 244 | 145.9 Ų | 145.9 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | | | | -159 | 165.7 | 114.7 | -105.7 | -176 | 178.2 | -164 | -1.4 | 110.8 | | |
| 87 | P | 38.9 | Very low | 39 | Very low | 119 Ų | 119 | 147.7 Ų | 147.7 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | | | trans | -94.1 | 162.8 | -145.3 | 36.1 | -39.6 | 0 | 0 | 0 | 117 | | |
| 88 | Q | 34.8 | Very low | 39.2 | Very low | 183 Ų | 183 | 149.1 Ų | 149.1 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | | | trans | -125.3 | 130.5 | 162.9 | -68.2 | -175.7 | -6.6 | 0 | 0 | 110.3 | | |
| 89 | A | 33.3 | Very low | 38.5 | Very low | 108 Ų | 108 | 149.5 Ų | 149.5 | 89% | 0.893 | 83% | 0.825 | S | S | * | * | | | trans | -93.4 | 130.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 90 | Q | 37.4 | Very low | 37.7 | Very low | 183 Ų | 183 | 154.4 Ų | 154.4 | 86% | 0.855 | 83% | 0.828 | S | S | * | * | | | trans | -87.3 | 152.1 | -171.5 | -67.3 | -173.3 | -6.8 | 0 | 0 | 113.5 | | |
| 91 | R | 35.3 | Very low | 37.9 | Very low | 249 Ų | 249 | 161.3 Ų | 161.3 | 94% | 0.94 | 83% | 0.831 | S | S | * | * | | | trans | -109.9 | 85.9 | -172.7 | -164.4 | -178.2 | -168.5 | -154.8 | 5.6 | 110.5 | | |
| 92 | E | 34.5 | Very low | 37.9 | Very low | 165 Ų | 165 | 166.8 Ų | 166.8 | 77% | 0.771 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 155.8 | -177 | -96.4 | -73 | 86 | 0 | 0 | 114.2 | | |
| 93 | R | 34.1 | Very low | 36.8 | Very low | 217 Ų | 217 | 165.9 Ų | 165.9 | 82% | 0.819 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 143.3 | -174.4 | -66.3 | 179.5 | 175.6 | -175 | -1.1 | 113 | | |
| 94 | P | 37.7 | Very low | 36 | Very low | 133 Ų | 133 | 168.7 Ų | 168.7 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 138.5 | 178.3 | 29.1 | -34.8 | 0 | 0 | 0 | 112.8 | | |
| 95 | R | 35.3 | Very low | 35.4 | Very low | 235 Ų | 235 | 171.1 Ų | 171.1 | 89% | 0.887 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 147.7 | 171.3 | -66.1 | -177.3 | -179.4 | -178.2 | 1 | 111.1 | | |
| 96 | A | 34.9 | Very low | 35.3 | Very low | 88 Ų | 88 | 175 Ų | 175 | 73% | 0.727 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 153.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 97 | P | 44 | Very low | 35.3 | Very low | 128 Ų | 128 | 171.4 Ų | 171.4 | 83% | 0.831 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 141.3 | -165.5 | 31.7 | -36.1 | 0 | 0 | 0 | 114.9 | | |
| 98 | H | 37.6 | Very low | 34.8 | Very low | 185 Ų | 185 | 169.9 Ų | 169.9 | 86% | 0.856 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 137 | 163.6 | -78.8 | -103.8 | 0 | 0 | 0 | 111 | R100 | H98-R100 PolarHBondContact O-N 3.45Š|
| 99 | S | 33.7 | Very low | 34.6 | Very low | 121 Ų | 121 | 169 Ų | 169 | 85% | 0.846 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 120.4 | 174.2 | 55.2 | 0 | 0 | 0 | 0 | 111.2 | R101 | S99-R101 PolarHBondContact O-N 3.01Š|
| 100 | R | 38.3 | Very low | 34.3 | Very low | 222 Ų | 222 | 172.5 Ų | 172.5 | 84% | 0.838 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 129.9 | -176.3 | -65 | 172.7 | 174.3 | 164.8 | -4.2 | 112.4 | H98 | H98-R100 PolarHBondContact O-N 3.45Š|
| 101 | R | 35.2 | Very low | 33.8 | Very low | 252 Ų | 252 | 168.6 Ų | 168.6 | 95% | 0.951 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 144.9 | 140.9 | -66.3 | -173.9 | -178.7 | -160.2 | 1.7 | 107.1 | S99 | S99-R101 PolarHBondContact O-N 3.01Š|
| 102 | R | 35.3 | Very low | 33.4 | Very low | 227 Ų | 227 | 165.4 Ų | 165.4 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | | | trans | -132.3 | 114.9 | 172.2 | -145.4 | 177 | -169.2 | -176.3 | -0.1 | 107.5 | | |
| 103 | A | 32 | Very low | 34.2 | Very low | 96 Ų | 96 | 162.5 Ų | 162.5 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | | | trans | -77.5 | 162.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 104 | M | 31.2 | Very low | 33.8 | Very low | 175 Ų | 175 | 159.5 Ų | 159.5 | 86% | 0.862 | 82% | 0.815 | S | S | * | * | | | trans | -78.5 | 150.6 | 174.3 | -60.6 | -168.5 | -67.2 | 0 | 0 | 110.6 | | |
| 105 | L | 35.3 | Very low | 33.3 | Very low | 168 Ų | 168 | 156.6 Ų | 156.6 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | | | trans | -120.6 | 133.4 | 156.3 | -71.9 | 174.4 | 0 | 0 | 0 | 106.3 | | |
| 106 | H | 31.9 | Very low | 32.9 | Very low | 177 Ų | 177 | 153 Ų | 153 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | | | trans | -103.1 | 132.1 | 169.1 | -127.8 | -96 | 0 | 0 | 0 | 107.5 | | |
| 107 | L | 29.7 | Very low | 32.7 | Very low | 168 Ų | 168 | 156 Ų | 156 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | | | trans | -148 | 130.5 | 160.1 | -95.8 | 125.7 | 0 | 0 | 0 | 106.6 | | |
| 108 | S | 29.8 | Very low | 31.9 | Very low | 87 Ų | 87 | 155.3 Ų | 155.3 | 61% | 0.608 | 80% | 0.796 | S | S | * | * | | | trans | -105.2 | 152 | 176.2 | 44.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 109 | E | 30.3 | Very low | 31.5 | Very low | 164 Ų | 164 | 155.1 Ų | 155.1 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | | | trans | 65.3 | 125 | 169 | -61.3 | 156.2 | -162.4 | 0 | 0 | 114.4 | | |
| 110 | F | 26 | Very low | 31.2 | Very low | 182 Ų | 182 | 154 Ų | 154 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | | | | -163.4 | 150.1 | 73.3 | -118 | -99.7 | 0 | 0 | 0 | 113.2 | | |
| 111 | S | 27.4 | Very low | 31 | Very low | 101 Ų | 101 | 149 Ų | 149 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | | | trans | 42.2 | 124.5 | 150.1 | 60.9 | 0 | 0 | 0 | 0 | 122.7 | | |
| 112 | E | 26.8 | Very low | 31 | Very low | 183 Ų | 183 | 145.3 Ų | 145.3 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | | | trans | -64.3 | -179.6 | 147.2 | -60.8 | -165.8 | 118.9 | 0 | 0 | 112.2 | | |
| 113 | P | 52.1 | Low | 30.7 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | | | cis | -133.3 | -173.9 | -0.7 | 28.5 | -4.4 | 0 | 0 | 0 | 115.8 | | |
| 114 | D | 25.8 | Very low | 30.5 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | | 100.6 | 156.6 | 129.9 | -113.1 | -39.7 | 0 | 0 | 0 | 123.3 | | |
| 115 | A | 26.9 | Very low | 30.3 | Very low | 72 Ų | 72 | 136.1 Ų | 136.1 | 60% | 0.595 | 76% | 0.763 | S | S | * | * | | | trans | 76.6 | 91.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 116 | L | 27.1 | Very low | 29.9 | Very low | 158 Ų | 158 | 132.4 Ų | 132.4 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | | | | 83.1 | 158.5 | 121.7 | -66.4 | 174.1 | 0 | 0 | 0 | 123.1 | | |
| 117 | L | 29.8 | Very low | 29.6 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | | | trans | 65.8 | 105.3 | 170.5 | -96.6 | 59.4 | 0 | 0 | 0 | 117.8 | | |
| 118 | V | 27.6 | Very low | 30.4 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | | | cis | 100.7 | 133.9 | 31.2 | 173.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 119 | K | 28.8 | Very low | 30.5 | Very low | 182 Ų | 182 | 129.7 Ų | 129.7 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | trans | 74.5 | 115.3 | 170.6 | -78.8 | 165.6 | -176 | 178.8 | 0 | 115.6 | | |
| 120 | S | 28 | Very low | 30.6 | Very low | 97 Ų | 97 | 126.1 Ų | 126.1 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | | | | 78.6 | 147.6 | 66.3 | 76.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 121 | T | 33.7 | Very low | 30.7 | Very low | 117 Ų | 117 | 125 Ų | 125 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | | | cis | -153.1 | 163.8 | 39.1 | 37.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 122 | E | 34.9 | Very low | 30.9 | Very low | 175 Ų | 175 | 126.9 Ų | 126.9 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | cis | -121.8 | -115.4 | -23.7 | -69.5 | -149 | 144.3 | 0 | 0 | 108.8 | | |
| 123 | G | 29.7 | Very low | 31.9 | Very low | 68 Ų | 68 | 122.2 Ų | 122.2 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | | | cis | 141 | 156.1 | -9.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 124 | C | 27.5 | Very low | 30.7 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | | | cis | -157.8 | 176.8 | -18.8 | -136.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 125 | C | 28.1 | Very low | 30.8 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | | | trans | 76.1 | 140.7 | 178.8 | -54.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 126 | A | 26.3 | Very low | 31.9 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | | | cis | -174.7 | 123.8 | -35.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 127 | E | 25.6 | Very low | 32 | Very low | 159 Ų | 159 | 126.4 Ų | 126.4 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | | | | 10 | 153 | 125.7 | -73.1 | -50.6 | 118.7 | 0 | 0 | 120.2 | S129 | E127-S129 PolarHBondContact OE2-N 3.22Å; E127-S129 VanDerWaalsContact OE2-N 3.09Å |
| 128 | P | 46.7 | Very low | 32.1 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | | | cis | -146.8 | 147.9 | 43.4 | 39.6 | -19.1 | 0 | 0 | 0 | 121.2 | | |
| 129 | S | 31.6 | Very low | 32.1 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | | | trans | 65.8 | 145.7 | 137 | -60.9 | 0 | 0 | 0 | 0 | 119.4 | E127 | E127-S129 PolarHBondContact OE2-N 3.22Å; E127-S129 VanDerWaalsContact OE2-N 3.09Å |
| 130 | A | 32.3 | Very low | 32.2 | Very low | 88 Ų | 88 | 125.2 Ų | 125.2 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | cis | -148.4 | -167.1 | 6.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 131 | E | 29 | Very low | 33.1 | Very low | 159 Ų | 159 | 126.5 Ų | 126.5 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | | | cis | -152.2 | 179.9 | 5.2 | -137.7 | -48 | 68.2 | 0 | 0 | 110.2 | | |
| 132 | L | 30.5 | Very low | 32.9 | Very low | 140 Ų | 140 | 125.3 Ų | 125.3 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | | | trans | -101.6 | -166.9 | 176.6 | -82.2 | 167.1 | 0 | 0 | 0 | 111.3 | | |
| 133 | P | 48.7 | Very low | 32.6 | Very low | 86 Ų | 86 | 121.3 Ų | 121.3 | 56% | 0.558 | 74% | 0.744 | S | S | * | * | | | cis | -134.9 | 161 | -0.6 | 16.5 | 10.1 | 0 | 0 | 0 | 119.1 | | |
| 134 | R | 26.5 | Very low | 32.6 | Very low | 215 Ų | 215 | 125.6 Ų | 125.6 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | | | trans | 67.8 | 128.2 | 144.2 | -66.7 | 163.4 | -176.1 | 144.4 | 1.3 | 118.6 | | |
| 135 | L | 28.5 | Very low | 32.7 | Very low | 157 Ų | 157 | 124.1 Ų | 124.1 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | | | | 69.8 | 146.7 | 52.4 | -64.1 | 176 | 0 | 0 | 0 | 114.4 | | |
| 136 | P | 49.8 | Very low | 32.7 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | | | cis | -141.6 | -172.6 | -28.1 | 40.2 | -21.2 | 0 | 0 | 0 | 115.1 | | |
| 137 | A | 28.4 | Very low | 33.8 | Very low | 89 Ų | 89 | 130.9 Ų | 130.9 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | | | trans | -13.7 | 159.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 138 | R | 31.5 | Very low | 34 | Very low | 212 Ų | 212 | 126 Ų | 126 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | | | | -174.7 | 150.2 | 107.2 | -95.9 | -179.9 | 82.2 | 145.7 | 7.4 | 115.6 | | |
| 139 | D | 27.5 | Very low | 33.3 | Very low | 119 Ų | 119 | 126.4 Ų | 126.4 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | trans | 50.1 | 130.2 | 144.3 | -51.3 | -1.9 | 0 | 0 | 0 | 123.6 | | |
| 140 | A | 32.3 | Very low | 33.2 | Very low | 91 Ų | 91 | 125 Ų | 125 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | | | trans | -90.7 | 170.7 | 148.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 141 | P | 46.6 | Very low | 33.3 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | | | | -154.3 | 179.8 | 100.1 | 40.5 | -22.6 | 0 | 0 | 0 | 116.6 | | |
| 142 | A | 29.4 | Very low | 33.3 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | | | trans | 25 | 120.7 | 153 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 143 | A | 28 | Very low | 33.3 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | | | cis | 79.8 | 119.4 | 49.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 144 | T | 30.3 | Very low | 32.3 | Very low | 159 Ų | 159 | 131.1 Ų | 131.1 | 98% | 0.975 | 80% | 0.797 | S | S | * | * | | | trans | -179.2 | 155 | 144.8 | 17.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 145 | G | 29.3 | Very low | 32.4 | Very low | 78 Ų | 78 | 132.6 Ų | 132.6 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | 115.4 | 80.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 146 | Y | 29.3 | Very low | 32.3 | Very low | 222 Ų | 222 | 128.7 Ų | 128.7 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | | | trans | -101.4 | 145 | 151.1 | -101.9 | -88.8 | 0 | 0 | 0 | 107.4 | | |
| 147 | P | 47.4 | Very low | 31.4 | Very low | 137 Ų | 137 | 131.1 Ų | 131.1 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | | | | -138.4 | 176.4 | 72.1 | 38.3 | -22.5 | 0 | 0 | 0 | 113.8 | | |
| 148 | G | 30 | Very low | 31.4 | Very low | 58 Ų | 58 | 134 Ų | 134 | 60% | 0.598 | 80% | 0.802 | S | S | * | * | | | cis | 163.7 | 156.9 | -6.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 149 | A | 32.6 | Very low | 31.2 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 98% | 0.975 | 80% | 0.802 | S | S | * | * | | | trans | 63.4 | 146.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 150 | G | 30.1 | Very low | 31 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | | | trans | 136.5 | 87.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 151 | D | 34.4 | Very low | 30.7 | Very low | 149 Ų | 149 | 130 Ų | 130 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | | | trans | -55.6 | 146.3 | -166.6 | -61.6 | -66.2 | 0 | 0 | 0 | 120.8 | | |
| 152 | F | 28.3 | Very low | 29.9 | Very low | 173 Ų | 173 | 129 Ų | 129 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | | | trans | 57.4 | 104.9 | 138.1 | -82.6 | -109.9 | 0 | 0 | 0 | 122.8 | | |
| 153 | L | 31.7 | Very low | 29.9 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | | | trans | 68.8 | 89.6 | 134.3 | -57.3 | -178.2 | 0 | 0 | 0 | 121.2 | | |
| 154 | S | 27.6 | Very low | 30 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 88% | 0.881 | 81% | 0.813 | S | S | * | * | | | trans | -164.7 | 81.4 | 136.9 | 61.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 155 | W | 27.8 | Very low | 29.8 | Very low | 246 Ų | 246 | 129 Ų | 129 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | | | trans | -171.2 | 153 | 157.8 | 115.2 | -64.9 | 0 | 0 | 0 | 109.6 | | |
| 156 | A | 26.8 | Very low | 30 | Very low | 75 Ų | 75 | 133 Ų | 133 | 62% | 0.62 | 81% | 0.808 | S | S | * | * | | | cis | -159.4 | 172.7 | -22.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 157 | L | 30.2 | Very low | 30.1 | Very low | 166 Ų | 166 | 125.8 Ų | 125.8 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | | | trans | -76.1 | 118.2 | 176.8 | -78.3 | 157.4 | 0 | 0 | 0 | 112.9 | | |
| 158 | N | 27.6 | Very low | 29.2 | Very low | 148 Ų | 148 | 126.3 Ų | 126.3 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | 175.3 | 145 | 138.4 | -92.9 | -35 | 0 | 0 | 0 | 109.1 | | |
| 159 | S | 27.3 | Very low | 29.5 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | cis | -143.8 | 167.2 | 36.1 | -60.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 160 | C | 25 | Very low | 29.2 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | | | trans | -45.4 | 133 | 177 | -56 | 0 | 0 | 0 | 0 | 117.9 | | |
| 161 | S | 25 | Very low | 29.2 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | 45.5 | 110.5 | 132.4 | 67.5 | 0 | 0 | 0 | 0 | 121 | | |
| 162 | A | 30.1 | Very low | 29.1 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | -144.2 | 149.1 | 138.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 163 | S | 29.2 | Very low | 29.2 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | | | trans | -56.5 | 141.6 | -173.3 | 49.1 | 0 | 0 | 0 | 0 | 118.5 | | |
| 164 | G | 29.2 | Very low | 29 | Very low | 67 Ų | 67 | 132.1 Ų | 132.1 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | | | | 111.6 | 123.2 | 117.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 165 | D | 27.4 | Very low | 29.5 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | | | | 7.8 | 137.8 | 129.5 | -53.3 | -37.2 | 0 | 0 | 0 | 118.5 | | |
| 166 | L | 32.8 | Very low | 29.7 | Very low | 162 Ų | 162 | 124.7 Ų | 124.7 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | | | cis | -160.2 | -176.4 | -3.3 | -149.7 | 84.7 | 0 | 0 | 0 | 109.7 | | |
| 167 | A | 31.1 | Very low | 30.2 | Very low | 72 Ų | 72 | 127.3 Ų | 127.3 | 60% | 0.595 | 80% | 0.798 | S | S | * | * | | | trans | -75.5 | 168.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 168 | D | 30.2 | Very low | 30.7 | Very low | 147 Ų | 147 | 125.8 Ų | 125.8 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | | | trans | 80 | 106.1 | 146.7 | -60.3 | -31.8 | 0 | 0 | 0 | 122.7 | | |
| 169 | S | 35.4 | Very low | 31.5 | Very low | 112 Ų | 112 | 124.3 Ų | 124.3 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | | | | 83.5 | 133.2 | 122.6 | 76.8 | 0 | 0 | 0 | 0 | 121.1 | | |
| 170 | C | 26.8 | Very low | 32.3 | Very low | 134 Ų | 134 | 124.9 Ų | 124.9 | 91% | 0.905 | 79% | 0.794 | S | S | * | * | | | | -145.6 | 142.1 | 124.8 | -105.9 | 0 | 0 | 0 | 0 | 109 | | |
| 171 | F | 29.7 | Very low | 33.2 | Very low | 205 Ų | 205 | 125.8 Ų | 125.8 | 90% | 0.899 | 80% | 0.799 | S | S | * | * | | | trans | -95.9 | -170.1 | 173.4 | -131.3 | -101.5 | 0 | 0 | 0 | 109.8 | | |
| 172 | L | 32.5 | Very low | 33.4 | Very low | 149 Ų | 149 | 123.8 Ų | 123.8 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | | | trans | 97.3 | 134.2 | 172.6 | -56.2 | 167.5 | 0 | 0 | 0 | 115.2 | | |
| 173 | E | 29.7 | Very low | 33.5 | Very low | 184 Ų | 184 | 127.5 Ų | 127.5 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | cis | -159.6 | 151 | -22.3 | -148.4 | 176.4 | 166.1 | 0 | 0 | 109.4 | | |
| 174 | G | 27.8 | Very low | 33.6 | Very low | 66 Ų | 66 | 127.2 Ų | 127.2 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | | | trans | -170.6 | 140.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 175 | P | 39.1 | Very low | 33.7 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | | | trans | -94.6 | 146.2 | -150.1 | 34.7 | -37.2 | 0 | 0 | 0 | 117.2 | | |
| 176 | A | 31.8 | Very low | 34.1 | Very low | 88 Ų | 88 | 132 Ų | 132 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | trans | 24 | 137.4 | 146.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 177 | P | 35.5 | Very low | 34 | Very low | 130 Ų | 130 | 127 Ų | 127 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | | | | -130.7 | 169.9 | 86.6 | 38.7 | -31.6 | 0 | 0 | 0 | 115.6 | | |
| 178 | T | 41.9 | Very low | 34.4 | Very low | 134 Ų | 134 | 129.1 Ų | 129.1 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | trans | -87.3 | 152.7 | -174.5 | 50.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 179 | P | 44.4 | Very low | 34.4 | Very low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | | | trans | -108.5 | 152.9 | 145.7 | 35.2 | -29.1 | 0 | 0 | 0 | 113.1 | | |
| 180 | P | 43.3 | Very low | 34.2 | Very low | 126 Ų | 126 | 134 Ų | 134 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -80.6 | 174.3 | -179.2 | 34.5 | -36.7 | 0 | 0 | 0 | 113.8 | | |
| 181 | P | 44.3 | Very low | 34.7 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | | | trans | -107.6 | 158.6 | -146.6 | 39.3 | -36.1 | 0 | 0 | 0 | 116.9 | | |
| 182 | G | 29.2 | Very low | 34.9 | Very low | 74 Ų | 74 | 134 Ų | 134 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | | | trans | 95 | 125.4 | 140.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 183 | L | 31.8 | Very low | 34.8 | Very low | 179 Ų | 179 | 131.1 Ų | 131.1 | 94% | 0.937 | 79% | 0.792 | S | S | * | * | | | | -154.4 | 128.4 | 120.8 | -102.7 | 178.1 | 0 | 0 | 0 | 108.8 | | |
| 184 | S | 31.8 | Very low | 35.3 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -89.1 | 129.9 | 175 | 53 | 0 | 0 | 0 | 0 | 110.3 | | |
| 185 | Y | 32.3 | Very low | 35.6 | Very low | 218 Ų | 218 | 130.7 Ų | 130.7 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | | | trans | -131 | 117.7 | 163.2 | -164.2 | -100.5 | 0 | 0 | 0 | 111.4 | | |
| 186 | S | 35.7 | Very low | 35.7 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | -87 | 124.1 | 173.9 | 51.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 187 | G | 29.2 | Very low | 36 | Very low | 58 Ų | 58 | 135.8 Ų | 135.8 | 60% | 0.598 | 79% | 0.788 | S | S | * | * | | | trans | -140.4 | 72.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 188 | S | 40.2 | Very low | 36.3 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -83.9 | 109.2 | 176.8 | -57.6 | 0 | 0 | 0 | 0 | 111 | | |
| 189 | F | 30.8 | Very low | 36.6 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 82% | 0.82 | 79% | 0.787 | S | S | * | * | | | trans | -132.6 | 109.3 | 170.9 | -88.2 | -81.4 | 0 | 0 | 0 | 113.8 | | |
| 190 | F | 30.7 | Very low | 36.8 | Very low | 176 Ų | 176 | 137 Ų | 137 | 77% | 0.772 | 78% | 0.777 | S | S | * | * | | | trans | 29.9 | 128.1 | 149.8 | -74.9 | -91 | 0 | 0 | 0 | 122.2 | | |
| 191 | I | 37 | Very low | 37.4 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | | | trans | -86.3 | 112.6 | 156.6 | -60.6 | 171.9 | 0 | 0 | 0 | 109.1 | | |
| 192 | Q | 33.9 | Very low | 37.9 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | | | trans | -147.7 | 140.3 | 155.1 | -76.5 | -170.6 | -9.9 | 0 | 0 | 107.3 | | |
| 193 | A | 31.1 | Very low | 39.1 | Very low | 87 Ų | 87 | 136.2 Ų | 136.2 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | | | cis | -142.8 | 165.6 | -10.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | P195 | A193-P195 WeakPolarHBondContact O-CD 3.5Š|
| 194 | V | 38.4 | Very low | 40.5 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 76% | 0.758 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 121.6 | 176.5 | 176.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 195 | P | 36 | Very low | 42 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 75% | 0.753 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 129 | 163.5 | -11.7 | 29 | 0 | 0 | 0 | 110.2 | A193 | A193-P195 WeakPolarHBondContact O-CD 3.5Š|
| 196 | E | 41.2 | Very low | 43.2 | Very low | 162 Ų | 162 | 128.3 Ų | 128.3 | 76% | 0.757 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -64.9 | 156.4 | 167.5 | -71.4 | -84.8 | 104 | 0 | 0 | 110.9 | | |
| 197 | H | 38.1 | Very low | 44.8 | Very low | 162 Ų | 162 | 129 Ų | 129 | 75% | 0.75 | 70% | 0.704 | S | S | * | * | | | trans | 69.3 | 95 | 177.1 | -63.1 | -77.7 | 0 | 0 | 0 | 118.9 | H199 | H197-H199 PolarHBondContact O-N 3.42Š|
| 198 | P | 40.1 | Very low | 46.3 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 79% | 0.792 | 70% | 0.697 | S | S | * | * | | | trans | -90.4 | 93.4 | 168.9 | 34.5 | -31.5 | 0 | 0 | 0 | 112.3 | | |
| 199 | H | 48.5 | Very low | 47.4 | Very low | 184 Ų | 184 | 126.1 Ų | 126.1 | 85% | 0.852 | 67% | 0.665 | S | S | * | * | | | trans | -132.4 | 33 | 173.7 | -93.9 | -45.5 | 0 | 0 | 0 | 115.2 | H197 | H197-H199 PolarHBondContact O-N 3.42Š|
| 200 | D | 48.3 | Very low | 48.6 | Very low | 101 Ų | 101 | 120 Ų | 120 | 54% | 0.54 | 66% | 0.655 | S | S | . | * | | | trans | -135.1 | 122.8 | 170.5 | -156.4 | -45.3 | 0 | 0 | 0 | 111.4 | E202 | D200-E202 PolarHBondContact OD1-N 3.02Å; D200-E202 VanDerWaalsContact OD1-N 3.08Å |
| 201 | P | 56.5 | Low | 50 | Low | 107 Ų | 107 | 117.2 Ų | 117.2 | 70% | 0.695 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.2 | -23.8 | 179.6 | 30 | -35.4 | 0 | 0 | 0 | 114 | F205 | P201-F205 PolarHBondContact O-N 3.04Å |
| 202 | E | 54.8 | Low | 51 | Low | 140 Ų | 140 | 115.4 Ų | 115.4 | 65% | 0.654 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -76.8 | -37.7 | -172.3 | -61.1 | -170.2 | 167.4 | 0 | 0 | 111.7 | D200 L204 F205 N206 | D200-E202 PolarHBondContact OD1-N 3.02Å; D200-E202 VanDerWaalsContact OD1-N 3.08Å; E202-L204 VanDerWaalsContact C-N 3.26Å; E202-L204 PolarHBondContact O-N 3.27Å; E202-F205 PolarHBondContact O-N 3.39Å; E202-N206 PolarHBondContact O-N 3.11Å; E202-N206 PolarHBondContact O-ND2 2.78Å |
| 203 | A | 54.8 | Low | 51.5 | Low | 64 Ų | 64 | 110.3 Ų | 110.3 | 53% | 0.529 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -57 | -38.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L207 | A203-L207 WeakPolarHBondContact O-CB 3.43Å; A203-L207 PolarHBondContact O-N 3.14Å |
| 204 | L | 61.5 | Low | 52.5 | Low | 118 Ų | 118 | 111.8 Ų | 111.8 | 62% | 0.618 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.2 | -35.6 | 179.8 | -162.2 | 154.2 | 0 | 0 | 0 | 111.7 | E202 M208 | E202-L204 VanDerWaalsContact C-N 3.26Å; E202-L204 PolarHBondContact O-N 3.27Å; L204-M208 HydrophobicContact CD2-CG 4.4Å; L204-M208 PolarHBondContact O-N 3.03Å; L204-M208 VanDerWaalsContact O-N 3.14Å |
| 205 | F | 62.5 | Low | 52.6 | Low | 138 Ų | 138 | 110 Ų | 110 | 61% | 0.605 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.9 | -43 | 174.4 | -170.7 | -95.2 | 0 | 0 | 0 | 111.9 | P201 E202 M208 S209 | P201-F205 PolarHBondContact O-N 3.04Å; E202-F205 PolarHBondContact O-N 3.39Å; F205-M208 PolarHBondContact O-N 3.39Å; F205-S209 WeakPolarHBondContact O-CB 3.39Å; F205-S209 PolarHBondContact O-N 3.21Å; F205-S209 PolarHBondContact O-OG 3.17Å |
| 206 | N | 57 | Low | 52.9 | Low | 89 Ų | 89 | 109.5 Ų | 109.5 | 48% | 0.476 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.9 | -41.9 | 177.4 | -71.5 | -28.1 | 0 | 0 | 0 | 112.2 | E202 M208 S209 G210 | E202-N206 PolarHBondContact O-N 3.11Å; E202-N206 PolarHBondContact O-ND2 2.78Å; N206-M208 VanDerWaalsContact C-N 3.33Å; N206-M208 PolarHBondContact O-N 3.14Å; N206-S209 PolarHBondContact O-N 2.94Å; N206-G210 PolarHBondContact O-N 3.34Å |
| 207 | L | 69.3 | Low | 52.5 | Low | 120 Ų | 120 | 111 Ų | 111 | 63% | 0.628 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -56.7 | -46.3 | 173.2 | -173.2 | 77.6 | 0 | 0 | 0 | 111.7 | A203 S209 I211 | A203-L207 WeakPolarHBondContact O-CB 3.43Å; A203-L207 PolarHBondContact O-N 3.14Å; L207-S209 VanDerWaalsContact C-N 3.35Å; L207-I211 HydrophobicContact CG-CD1 4.41Å; L207-I211 WeakPolarHBondContact O-CD1 3.38Å; L207-I211 WeakPolarHBondContact O-CG1 3.47Å; L207-I211 PolarHBondContact O-N 3.34Å |
| 208 | M | 61 | Low | 52.7 | Low | 91 Ų | 91 | 109 Ų | 109 | 45% | 0.448 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -71.4 | -27.7 | 179.5 | -77.1 | -96.2 | 54.5 | 0 | 0 | 113.5 | L204 F205 N206 I211 L212 | L204-M208 HydrophobicContact CD2-CG 4.4Å; L204-M208 PolarHBondContact O-N 3.03Å; L204-M208 VanDerWaalsContact O-N 3.14Å; F205-M208 PolarHBondContact O-N 3.39Å; N206-M208 VanDerWaalsContact C-N 3.33Å; N206-M208 PolarHBondContact O-N 3.14Å; M208-I211 HydrophobicContact CE-CB 4.28Å; M208-I211 HydrophobicContact CE-CD1 4.13Å; M208-I211 HydrophobicContact CE-CG2 4.23Å; M208-L212 WeakPolarHBondContact O-CG 3.44Å |
| 209 | S | 63.7 | Low | 52.8 | Low | 20 Ų | 20 | 106 Ų | 106 | 14% | 0.14 | 62% | 0.62 | C | S | . | * | H | α-helix | trans | -74.4 | -40.7 | 177.3 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | F205 N206 L207 I211 L212 G213 L214 | F205-S209 WeakPolarHBondContact O-CB 3.39Å; F205-S209 PolarHBondContact O-N 3.21Å; F205-S209 PolarHBondContact O-OG 3.17Å; N206-S209 PolarHBondContact O-N 2.94Å; L207-S209 VanDerWaalsContact C-N 3.35Å; S209-I211 VanDerWaalsContact C-N 3.32Å; S209-I211 PolarHBondContact O-N 3.09Å; S209-L212 CarbonylContact O-C 3.19Å; S209-L212 PolarHBondContact O-N 3.43Å; S209-L212 VanDerWaalsContact O-N 3.09Å; S209-G213 PolarHBondContact O-N 2.67Å; S209-L214 PolarHBondContact O-N 3.32Å |
| 210 | G | 56.5 | Low | 52.5 | Low | 59 Ų | 59 | 103.7 Ų | 103.7 | 61% | 0.608 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.2 | -36.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N206 L212 G213 | N206-G210 PolarHBondContact O-N 3.34Å; G210-L212 PolarHBondContact O-N 3.35Å; G210-G213 PolarHBondContact O-N 2.73Å |
| 211 | I | 60.6 | Low | 51.6 | Low | 118 Ų | 118 | 108 Ų | 108 | 61% | 0.605 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.9 | -21.9 | 175.3 | -69.5 | 165.8 | 0 | 0 | 0 | 112.4 | L207 M208 S209 | L207-I211 HydrophobicContact CG-CD1 4.41Å; L207-I211 WeakPolarHBondContact O-CD1 3.38Å; L207-I211 WeakPolarHBondContact O-CG1 3.47Å; L207-I211 PolarHBondContact O-N 3.34Å; M208-I211 HydrophobicContact CE-CB 4.28Å; M208-I211 HydrophobicContact CE-CD1 4.13Å; M208-I211 HydrophobicContact CE-CG2 4.23Å; S209-I211 VanDerWaalsContact C-N 3.32Å; S209-I211 PolarHBondContact O-N 3.09Å |
| 212 | L | 56.3 | Low | 50.4 | Low | 124 Ų | 124 | 107.6 Ų | 107.6 | 65% | 0.649 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 4.7 | -178.9 | -64.9 | 175.3 | 0 | 0 | 0 | 113.8 | M208 S209 G210 L214 | M208-L212 WeakPolarHBondContact O-CG 3.44Å; S209-L212 CarbonylContact O-C 3.19Å; S209-L212 PolarHBondContact O-N 3.43Å; S209-L212 VanDerWaalsContact O-N 3.09Å; G210-L212 PolarHBondContact O-N 3.35Å; L212-L214 PolarHBondContact O-N 2.81Å |
| 213 | G | 44.8 | Very low | 49.2 | Very low | 70 Ų | 70 | 106.3 Ų | 106.3 | 72% | 0.722 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.3 | 19.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | S209 G210 | S209-G213 PolarHBondContact O-N 2.67Å; G210-G213 PolarHBondContact O-N 2.73Å |
| 214 | L | 51.8 | Low | 48 | Very low | 117 Ų | 117 | 107.8 Ų | 107.8 | 61% | 0.613 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 137.1 | 177.5 | -62.4 | 179.2 | 0 | 0 | 0 | 110.5 | S209 L212 | S209-L214 PolarHBondContact O-N 3.32Å; L212-L214 PolarHBondContact O-N 2.81Å |
| 215 | A | 42.3 | Very low | 46.5 | Very low | 88 Ų | 88 | 107.2 Ų | 107.2 | 73% | 0.727 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 138 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 216 | P | 41.9 | Very low | 45 | Very low | 106 Ų | 106 | 111.9 Ų | 111.9 | 69% | 0.688 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 145.7 | 175.6 | -23 | 34 | 0 | 0 | 0 | 112.8 | | |
| 217 | F | 32.9 | Very low | 43.6 | Very low | 193 Ų | 193 | 113 Ų | 113 | 85% | 0.846 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 136 | 168.3 | -97.9 | -97.9 | 0 | 0 | 0 | 110.4 | | |
| 218 | P | 42.3 | Very low | 42.5 | Very low | 120 Ų | 120 | 112.7 Ų | 112.7 | 78% | 0.779 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 128.2 | 171.7 | 29.4 | -33 | 0 | 0 | 0 | 110.6 | | |
| 219 | G | 41.7 | Very low | 41.1 | Very low | 58 Ų | 58 | 115.7 Ų | 115.7 | 60% | 0.598 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 162.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E221 | G219-E221 PolarHBondContact O-N 3.38Š|
| 220 | P | 40.9 | Very low | 39.4 | Very low | 137 Ų | 137 | 121.6 Ų | 121.6 | 89% | 0.89 | 76% | 0.756 | S | S | * | * | | | trans | -74.8 | 113.1 | -178.9 | 29.9 | -33.5 | 0 | 0 | 0 | 111.5 | | |
| 221 | E | 30.6 | Very low | 38.1 | Very low | 192 Ų | 192 | 122.3 Ų | 122.3 | 90% | 0.897 | 76% | 0.756 | S | S | * | * | | | trans | -69.2 | 136.9 | 172.3 | -69.2 | -154.7 | 117.6 | 0 | 0 | 112.1 | G219 | G219-E221 PolarHBondContact O-N 3.38Š|
| 222 | A | 30.7 | Very low | 36.6 | Very low | 97 Ų | 97 | 122.3 Ų | 122.3 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | | | trans | -79.8 | 119.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | A224 | A222-A224 PolarHBondContact O-N 2.91Š|
| 223 | A | 29.8 | Very low | 35.5 | Very low | 113 Ų | 113 | 125.9 Ų | 125.9 | 93% | 0.934 | 78% | 0.777 | S | S | * | * | | | trans | -67.1 | 105.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 224 | A | 29.1 | Very low | 35.9 | Very low | 96 Ų | 96 | 128 Ų | 128 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | | | trans | -131.7 | 114 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110 | A222 | A222-A224 PolarHBondContact O-N 2.91Š|
| 225 | S | 31.4 | Very low | 34.8 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | -72.7 | 139.5 | -176.3 | 59 | 0 | 0 | 0 | 0 | 113.2 | | |
| 226 | R | 30.4 | Very low | 34.2 | Very low | 236 Ų | 236 | 126.3 Ų | 126.3 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | | | | 178.8 | 146.4 | 113.3 | -96.6 | 159.5 | -178.1 | -170.8 | -1.6 | 113.6 | | |
| 227 | S | 27.4 | Very low | 35.2 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | trans | -118 | 176.9 | 163.1 | -45 | 0 | 0 | 0 | 0 | 108.2 | | |
| 228 | P | 47.1 | Very low | 35.2 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | | | | -115 | -139.9 | -71.3 | 38.4 | -24.6 | 0 | 0 | 0 | 109.5 | | |
| 229 | L | 31.2 | Very low | 34.7 | Very low | 154 Ų | 154 | 122.8 Ų | 122.8 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | | | trans | 79.9 | 141.3 | -178.9 | -54.3 | 172.6 | 0 | 0 | 0 | 115 | | |
| 230 | D | 28.3 | Very low | 34.4 | Very low | 144 Ų | 144 | 128.3 Ų | 128.3 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | | | cis | -159.7 | 172 | -25.3 | -149.2 | -20.2 | 0 | 0 | 0 | 110.2 | | |
| 231 | A | 28.6 | Very low | 34.1 | Very low | 74 Ų | 74 | 129.7 Ų | 129.7 | 61% | 0.612 | 80% | 0.797 | S | S | * | * | | | trans | 24.6 | 115.2 | 155.7 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 232 | S | 30 | Very low | 35 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | | 68 | 133.1 | 121.2 | -55.6 | 0 | 0 | 0 | 0 | 124.1 | | |
| 233 | F | 33.1 | Very low | 35.2 | Very low | 198 Ų | 198 | 125.1 Ų | 125.1 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | | | trans | -48.5 | 169.7 | 149.6 | -70.1 | -84.7 | 0 | 0 | 0 | 113.7 | | |
| 234 | P | 51.7 | Low | 36.9 | Very low | 115 Ų | 115 | 125.2 Ų | 125.2 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | | | cis | -150.2 | -176.4 | 28.2 | 44.8 | -24.4 | 0 | 0 | 0 | 119.5 | | |
| 235 | A | 29.9 | Very low | 38 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | 72.4 | 148 | 147.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 236 | G | 28.4 | Very low | 38.2 | Very low | 70 Ų | 70 | 128.2 Ų | 128.2 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | trans | -108.3 | -146.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 237 | P | 64.3 | Low | 38.3 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | cis | -120.2 | -169.2 | 1.1 | 40.7 | -24.8 | 0 | 0 | 0 | 112.5 | | |
| 238 | D | 31.8 | Very low | 38.5 | Very low | 150 Ų | 150 | 129.3 Ų | 129.3 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | | | | 172.2 | 140.9 | 112.7 | -105.7 | -36.4 | 0 | 0 | 0 | 117.8 | | |
| 239 | A | 33.3 | Very low | 38 | Very low | 80 Ų | 80 | 128.3 Ų | 128.3 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | | | trans | 66.4 | 153.1 | 135.3 | 0 | 0 | 0 | 0 | 0 | 126.8 | | |
| 240 | L | 34.7 | Very low | 39.3 | Very low | 173 Ų | 173 | 126 Ų | 126 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | | | trans | 88.7 | 120.7 | 155.1 | -52.5 | -171.3 | 0 | 0 | 0 | 122.5 | | |
| 241 | L | 35.4 | Very low | 39.7 | Very low | 166 Ų | 166 | 125.2 Ų | 125.2 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | | | trans | -76.1 | 171.6 | 154 | -75.4 | 168.5 | 0 | 0 | 0 | 110.2 | | |
| 242 | P | 49.4 | Very low | 40.1 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | | | cis | -129.4 | -164.6 | 20.2 | 44.5 | -26.8 | 0 | 0 | 0 | 113.2 | | |
| 243 | G | 33.5 | Very low | 40.1 | Very low | 65 Ų | 65 | 126.8 Ų | 126.8 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | | | cis | -174.1 | 173 | 1.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 244 | P | 66.4 | Low | 40 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | | | trans | -107.9 | -159.5 | -165.6 | 48.1 | -39.2 | 0 | 0 | 0 | 111.5 | | |
| 245 | P | 52.7 | Low | 39 | Very low | 124 Ų | 124 | 123.7 Ų | 123.7 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | | | cis | -132.8 | 161.6 | 44.8 | 40.5 | -23.5 | 0 | 0 | 0 | 117.3 | | |
| 246 | D | 34.4 | Very low | 40 | Very low | 140 Ų | 140 | 124.7 Ų | 124.7 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | | | trans | -76.3 | 176.6 | 167.2 | -49.2 | -100.1 | 0 | 0 | 0 | 114 | | |
| 247 | L | 33.7 | Very low | 40.2 | Very low | 157 Ų | 157 | 130.4 Ų | 130.4 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | | 161.5 | 141.1 | 124.5 | -83.4 | 167.2 | 0 | 0 | 0 | 109 | | |
| 248 | Y | 30.6 | Very low | 39.7 | Very low | 214 Ų | 214 | 130.6 Ų | 130.6 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | | | cis | -151.4 | 172.6 | 36.6 | -154.2 | -99.4 | 0 | 0 | 0 | 111.9 | | |
| 249 | S | 36.3 | Very low | 39.7 | Very low | 93 Ų | 93 | 132 Ų | 132 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | | | trans | -135.9 | -164.2 | -172.7 | -135.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 250 | P | 58.8 | Low | 39.8 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | | | cis | -115.8 | -127.6 | -17.5 | 22.4 | 4 | 0 | 0 | 0 | 110.1 | | |
| 251 | D | 36.9 | Very low | 39.5 | Very low | 127 Ų | 127 | 133 Ų | 133 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | | | cis | -167.1 | 171.1 | 1.6 | -152.9 | -6.2 | 0 | 0 | 0 | 113.3 | | |
| 252 | L | 36 | Very low | 39.3 | Very low | 157 Ų | 157 | 136 Ų | 136 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | trans | 62.2 | 133.7 | 163.6 | -50.7 | -179 | 0 | 0 | 0 | 119.6 | | |
| 253 | G | 30.1 | Very low | 38.3 | Very low | 70 Ų | 70 | 136.9 Ų | 136.9 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | | | cis | 169.2 | 166 | -8.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 254 | A | 31.1 | Very low | 38.1 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 88% | 0.884 | 78% | 0.776 | S | S | * | * | | | trans | 74.1 | 154.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 255 | V | 30.8 | Very low | 36.5 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | | | trans | -148.9 | 176.1 | -172.4 | -116.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 256 | P | 50.5 | Low | 36.8 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | cis | -135.8 | -162.9 | -7.2 | 36.2 | -13.3 | 0 | 0 | 0 | 115.3 | | |
| 257 | F | 34.1 | Very low | 36.5 | Very low | 191 Ų | 191 | 136 Ų | 136 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | trans | -57.4 | 170.1 | 166 | -97.3 | -107.7 | 0 | 0 | 0 | 114.8 | | |
| 258 | P | 53.5 | Low | 36.4 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | | -151.3 | -160.1 | 53.7 | 44 | -20.5 | 0 | 0 | 0 | 119 | | |
| 259 | E | 32.2 | Very low | 36.3 | Very low | 180 Ų | 180 | 127 Ų | 127 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | | | trans | -82.8 | 162.4 | -167.3 | -52.4 | 163 | 92 | 0 | 0 | 116.4 | | |
| 260 | A | 34.6 | Very low | 36 | Very low | 96 Ų | 96 | 127.2 Ų | 127.2 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | | | | 163.8 | 128.1 | 121.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 261 | F | 28 | Very low | 35.7 | Very low | 176 Ų | 176 | 127.7 Ų | 127.7 | 77% | 0.772 | 79% | 0.788 | S | S | * | * | | | | 45 | 125.1 | 124.9 | -151.8 | -89.3 | 0 | 0 | 0 | 124 | | |
| 262 | W | 31 | Very low | 35.6 | Very low | 230 Ų | 230 | 126.9 Ų | 126.9 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | | | trans | -173.2 | 176.9 | 130.2 | 66 | -81.6 | 0 | 0 | 0 | 113.7 | | |
| 263 | E | 30 | Very low | 35.5 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | | | trans | -130.3 | 165.1 | -163.1 | -75.3 | 179.3 | 74 | 0 | 0 | 116.6 | | |
| 264 | A | 29.1 | Very low | 35.3 | Very low | 83 Ų | 83 | 129.7 Ų | 129.7 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | | | trans | 79 | 116.7 | 150.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 265 | S | 32.9 | Very low | 35.3 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | | 40.9 | 163.5 | 107.8 | -87.5 | 0 | 0 | 0 | 0 | 122.8 | | |
| 266 | P | 59 | Low | 35.2 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | | | cis | -141.1 | -154.5 | -10.4 | 33.4 | -8.5 | 0 | 0 | 0 | 114.4 | | |
| 267 | C | 28.1 | Very low | 34.6 | Very low | 121 Ų | 121 | 137 Ų | 137 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | 82.7 | 154 | 160.9 | -64.7 | 0 | 0 | 0 | 0 | 119.1 | | |
| 268 | A | 30.5 | Very low | 34.9 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | cis | -169.5 | 143.5 | -29.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 269 | G | 29 | Very low | 33.9 | Very low | 82 Ų | 82 | 135.5 Ų | 135.5 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | trans | 149 | 134.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 270 | A | 30.7 | Very low | 33.9 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | | | trans | -152.6 | -175.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 271 | P | 52.3 | Low | 33.9 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | | | cis | -129.4 | 170.7 | -16 | 39.8 | -26 | 0 | 0 | 0 | 113.3 | | |
| 272 | S | 34.8 | Very low | 34.7 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -171.7 | 124.2 | 136.4 | 22.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 273 | Q | 33.1 | Very low | 35.5 | Very low | 177 Ų | 177 | 127.9 Ų | 127.9 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | | | trans | 56.7 | 120.9 | 132.2 | -61 | -168 | 20.8 | 0 | 0 | 122.8 | | |
| 274 | C | 27.1 | Very low | 35.7 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | | | trans | 92.3 | 130.2 | 131 | -70.4 | 0 | 0 | 0 | 0 | 122.5 | | |
| 275 | L | 29.3 | Very low | 35.9 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | 70.3 | 85.3 | 147.7 | -61.1 | 171.7 | 0 | 0 | 0 | 120.7 | | |
| 276 | Y | 30.1 | Very low | 36.1 | Very low | 216 Ų | 216 | 133.2 Ų | 133.2 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | | | | 26 | 137.8 | 120 | -152.6 | -106.4 | 0 | 0 | 0 | 121.6 | | |
| 277 | E | 36.8 | Very low | 35.4 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 66% | 0.659 | 80% | 0.796 | S | S | * | * | | | trans | 85.9 | 100.9 | 160.5 | -152.6 | 173.1 | 136.9 | 0 | 0 | 119.9 | | |
| 278 | P | 40.9 | Very low | 35.4 | Very low | 127 Ų | 127 | 132 Ų | 132 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | -92.7 | 122.5 | 158.2 | -0.5 | 20.9 | 0 | 0 | 0 | 111.9 | | |
| 279 | Q | 33.3 | Very low | 35.6 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 72% | 0.715 | 80% | 0.798 | S | S | * | * | | | trans | -58 | 139.2 | 166.9 | -74.8 | -96 | 8.8 | 0 | 0 | 112.8 | | |
| 280 | L | 32 | Very low | 35.5 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | | | trans | -142.8 | 130.2 | 149.7 | -82.8 | -176.2 | 0 | 0 | 0 | 111.4 | | |
| 281 | S | 34 | Very low | 35.6 | Very low | 102 Ų | 102 | 144 Ų | 144 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 162.7 | 176.2 | -77 | 0 | 0 | 0 | 0 | 111.4 | | |
| 282 | P | 44.6 | Very low | 35.1 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -88 | 155.8 | -169.1 | 35.1 | -36.5 | 0 | 0 | 0 | 114.3 | | |
| 283 | P | 48.4 | Very low | 35.4 | Very low | 128 Ų | 128 | 145 Ų | 145 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 154.9 | 162.5 | 35.8 | -32.9 | 0 | 0 | 0 | 112.2 | | |
| 284 | D | 33.7 | Very low | 35.3 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | | | trans | -145 | 164.5 | 178.5 | -156.2 | -19.2 | 0 | 0 | 0 | 110.8 | | |
| 285 | V | 34.3 | Very low | 35.7 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 70% | 0.703 | 81% | 0.806 | S | S | * | * | | | trans | 70.6 | 96.2 | 167 | -165.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 286 | K | 36.3 | Very low | 36.2 | Very low | 187 Ų | 187 | 139.5 Ų | 139.5 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | | | | 33 | 136.1 | 128.8 | -70 | -178.4 | 176.8 | 175.9 | 0 | 122.1 | | |
| 287 | P | 43.2 | Very low | 36.2 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | | -90.1 | -178.5 | 85.6 | 23.2 | -35 | 0 | 0 | 0 | 115.2 | | |
| 288 | G | 29.2 | Very low | 35.9 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | | | cis | -163.5 | -144.8 | 6.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 289 | L | 33.8 | Very low | 35.2 | Very low | 185 Ų | 185 | 136.8 Ų | 136.8 | 97% | 0.969 | 81% | 0.812 | S | S | * | * | | | trans | -133.7 | 129.4 | -169.4 | -77.1 | 165.9 | 0 | 0 | 0 | 115.3 | | |
| 290 | R | 27.8 | Very low | 35 | Very low | 256 Ų | 256 | 133.9 Ų | 133.9 | 97% | 0.966 | 81% | 0.814 | S | S | * | * | | | trans | -159.3 | 148.3 | 131.4 | -149.4 | 166.6 | -175.3 | 163.7 | 1.3 | 109.3 | | |
| 291 | A | 33 | Very low | 34.9 | Very low | 89 Ų | 89 | 130.1 Ų | 130.1 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | | | trans | -105.7 | 152 | -162.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 292 | P | 41.7 | Very low | 34.6 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 151.3 | 156.8 | 36.2 | -31.1 | 0 | 0 | 0 | 111.5 | | |
| 293 | P | 41.4 | Very low | 33.8 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 158.6 | 173.2 | 31.1 | -34.7 | 0 | 0 | 0 | 112.7 | | |
| 294 | A | 30.6 | Very low | 32.9 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 169.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 295 | S | 35.1 | Very low | 32.7 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 168.3 | 179.3 | -41.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 296 | P | 40.7 | Very low | 32.5 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | | | | -118.6 | 145 | 96.1 | 35.1 | -33.9 | 0 | 0 | 0 | 111.7 | | |
| 297 | A | 28.9 | Very low | 32.6 | Very low | 89 Ų | 89 | 130.7 Ų | 130.7 | 74% | 0.736 | 82% | 0.82 | S | S | * | * | | | cis | 76.5 | 103.2 | 45.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 298 | L | 31.8 | Very low | 31.9 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | | | trans | -139.2 | 116.7 | 172.2 | -83.3 | 175.6 | 0 | 0 | 0 | 109.7 | | |
| 299 | D | 26.2 | Very low | 31.9 | Very low | 165 Ų | 165 | 136.3 Ų | 136.3 | 88% | 0.882 | 82% | 0.823 | S | S | * | * | | | trans | -150.5 | 150.9 | 169.9 | -86.2 | -54.3 | 0 | 0 | 0 | 106.2 | | |
| 300 | A | 29.3 | Very low | 32.3 | Very low | 91 Ų | 91 | 133.2 Ų | 133.2 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | | | cis | -167.1 | 142.7 | -20.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 301 | A | 28.5 | Very low | 32.3 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | | | trans | -164.2 | 128.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 302 | S | 27.8 | Very low | 32.3 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | | | | 72.5 | 125.5 | 56.4 | -158.9 | 0 | 0 | 0 | 0 | 112 | | |
| 303 | A | 28.7 | Very low | 31.9 | Very low | 85 Ų | 85 | 136.8 Ų | 136.8 | 70% | 0.702 | 81% | 0.811 | S | S | * | * | | | cis | -144 | 157 | 12.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 304 | F | 28.3 | Very low | 31.3 | Very low | 210 Ų | 210 | 137.9 Ų | 137.9 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | | | trans | -123.2 | 119.3 | 159.3 | -118.6 | -90.7 | 0 | 0 | 0 | 108.7 | G306 | F304-G306 PolarHBondContact O-N 3.27Š|
| 305 | K | 30.3 | Very low | 31.3 | Very low | 207 Ų | 207 | 138.2 Ų | 138.2 | 90% | 0.9 | 81% | 0.805 | S | S | * | * | | | trans | -78.9 | 115.9 | 174.6 | -82.3 | -179.2 | 175.1 | 176 | 0 | 109.6 | | |
| 306 | G | 30.8 | Very low | 31.1 | Very low | 69 Ų | 69 | 140.3 Ų | 140.3 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | | | trans | -111 | 124 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | F304 | F304-G306 PolarHBondContact O-N 3.27Š|
| 307 | P | 38 | Very low | 30.5 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | trans | -77.1 | 138.6 | 172.9 | 31.6 | -32.7 | 0 | 0 | 0 | 110.4 | | |
| 308 | Y | 27.4 | Very low | 30.7 | Very low | 231 Ų | 231 | 138.7 Ų | 138.7 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | | | trans | -147.7 | 123 | 162.5 | -141.5 | -91.8 | 0 | 0 | 0 | 109.9 | | |
| 309 | A | 29.7 | Very low | 31.5 | Very low | 89 Ų | 89 | 137 Ų | 137 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | | | trans | -136.3 | 150.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 310 | P | 42.1 | Very low | 31.7 | Very low | 119 Ų | 119 | 133 Ų | 133 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | | | trans | -98.9 | 165 | -156.9 | 4 | 17.5 | 0 | 0 | 0 | 113 | | |
| 311 | W | 28.5 | Very low | 31.8 | Very low | 226 Ų | 226 | 136 Ų | 136 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | | | trans | -125.3 | 135.8 | 150.7 | 65.4 | -84 | 0 | 0 | 0 | 109.6 | | |
| 312 | E | 31.5 | Very low | 31.7 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | | | trans | -100.5 | 162.9 | 167.6 | -80.4 | -147.4 | 137.1 | 0 | 0 | 110.2 | | |
| 313 | L | 33.4 | Very low | 31.7 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 78% | 0.78 | 81% | 0.813 | S | S | * | * | | | trans | 42.3 | 109 | 149.2 | -65.3 | 168.5 | 0 | 0 | 0 | 118.8 | | |
| 314 | L | 28.8 | Very low | 32 | Very low | 156 Ų | 156 | 136 Ų | 136 | 82% | 0.817 | 82% | 0.818 | S | S | * | * | | | trans | -141.2 | 141.3 | 144.4 | -106.9 | 174.3 | 0 | 0 | 0 | 110.8 | | |
| 315 | S | 31.6 | Very low | 32.1 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | | | trans | -162.1 | 144.4 | 170.8 | -77.6 | 0 | 0 | 0 | 0 | 110 | | |
| 316 | V | 31.7 | Very low | 32.1 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 93% | 0.927 | 82% | 0.818 | S | S | * | * | | | trans | 72.6 | 129.1 | 177.3 | -166.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 317 | G | 27.3 | Very low | 32 | Very low | 77 Ų | 77 | 129.3 Ų | 129.3 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | | | trans | 127.8 | 120 | 164.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 318 | A | 32.3 | Very low | 31.6 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | | | trans | -162.1 | 170.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 319 | P | 49.3 | Very low | 31.9 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | | | cis | -121.6 | 176.2 | -13 | 38.5 | -23.7 | 0 | 0 | 0 | 113.5 | | |
| 320 | G | 30.4 | Very low | 31.8 | Very low | 82 Ų | 82 | 130 Ų | 130 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | | | trans | -159.1 | 154.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 321 | N | 31.4 | Very low | 31.5 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | | | trans | -105.9 | 156.9 | -152.2 | -154.7 | 15.9 | 0 | 0 | 0 | 116.9 | | |
| 322 | C | 26.6 | Very low | 32.1 | Very low | 110 Ų | 110 | 123.9 Ų | 123.9 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | | | trans | 54.3 | 125.6 | 151.2 | 66.8 | 0 | 0 | 0 | 0 | 125.1 | | |
| 323 | G | 28.3 | Very low | 32.2 | Very low | 76 Ų | 76 | 125.6 Ų | 125.6 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | | | trans | 84.4 | 159.6 | 143.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 324 | S | 34.1 | Very low | 31.9 | Very low | 115 Ų | 115 | 123 Ų | 123 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | cis | -172.9 | 130.9 | -28.1 | 48.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 325 | Q | 31.1 | Very low | 31.8 | Very low | 201 Ų | 201 | 127.4 Ų | 127.4 | 94% | 0.939 | 81% | 0.806 | S | S | * | * | | | trans | 54.1 | 140.5 | 158.6 | -60.6 | -168.1 | 7 | 0 | 0 | 123.2 | | |
| 326 | G | 30.4 | Very low | 31.9 | Very low | 86 Ų | 86 | 132 Ų | 132 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | | | trans | 81.8 | 155.2 | 151.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 327 | G | 28 | Very low | 32.3 | Very low | 59 Ų | 59 | 130.6 Ų | 130.6 | 61% | 0.608 | 81% | 0.807 | S | S | * | * | | | cis | 162.2 | 104.2 | -14 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 328 | Y | 29.4 | Very low | 32.4 | Very low | 221 Ų | 221 | 130.8 Ų | 130.8 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | | | trans | 72.9 | 124.1 | 152.5 | -46.6 | -66 | 0 | 0 | 0 | 122.8 | | |
| 329 | Q | 34 | Very low | 32.2 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | | | | 69.3 | 151.2 | 129.6 | -59.6 | -77.7 | 28.7 | 0 | 0 | 119.9 | | |
| 330 | T | 27.3 | Very low | 31.2 | Very low | 76 Ų | 76 | 131.1 Ų | 131.1 | 47% | 0.466 | 80% | 0.797 | S | S | . | * | | | cis | -154.6 | -179.9 | 22.2 | -9.4 | 0 | 0 | 0 | 0 | 113.5 | A368 | T330-A368 HydrophobicContact CG2-CB 3.45Å; T330-A368 VanDerWaalsContact CG2-CB 3.45Å; T330-A368 WeakPolarHBondContact OG1-CB 3.47Å |
| 331 | A | 35.2 | Very low | 31.2 | Very low | 86 Ų | 86 | 133 Ų | 133 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | trans | -94.9 | -177.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 332 | P | 41.3 | Very low | 31.2 | Very low | 132 Ų | 132 | 134 Ų | 134 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | | | | -149.9 | -179.8 | 94.5 | 40 | -22.1 | 0 | 0 | 0 | 117.2 | | |
| 333 | E | 34.6 | Very low | 31.4 | Very low | 195 Ų | 195 | 134.4 Ų | 134.4 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | | | trans | -93.8 | 168.3 | -179 | -64.5 | 177 | 72.2 | 0 | 0 | 115.8 | | |
| 334 | A | 26.8 | Very low | 31.6 | Very low | 95 Ų | 95 | 139 Ų | 139 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | trans | -155.1 | 113 | 154.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 335 | R | 26.6 | Very low | 31.4 | Very low | 249 Ų | 249 | 139.9 Ų | 139.9 | 94% | 0.94 | 78% | 0.779 | S | S | * | * | | | trans | 62.5 | 146.2 | 142.4 | -71.9 | -177.2 | 163.8 | 122 | -2.7 | 124.1 | | |
| 336 | F | 33 | Very low | 31.5 | Very low | 205 Ų | 205 | 137 Ų | 137 | 90% | 0.899 | 77% | 0.769 | S | S | * | * | | | trans | -96.8 | 162.2 | 171.5 | -75.2 | -94 | 0 | 0 | 0 | 113.4 | | |
| 337 | P | 40.6 | Very low | 31.5 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | | | | -149.4 | -168.4 | 106.6 | 40.2 | -24.3 | 0 | 0 | 0 | 114.7 | | |
| 338 | A | 29.7 | Very low | 31.5 | Very low | 81 Ų | 81 | 141.6 Ų | 141.6 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | | | | -170.5 | 141.3 | -62 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 339 | I | 28.3 | Very low | 31.6 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | | | trans | 68.6 | 137.3 | 153.3 | -61.1 | 160.8 | 0 | 0 | 0 | 120.4 | | |
| 340 | G | 28 | Very low | 31.2 | Very low | 72 Ų | 72 | 137 Ų | 137 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | | | trans | 175 | 84.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 341 | T | 31.4 | Very low | 31.1 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | -31 | 157 | 165.6 | 56.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 342 | K | 30.1 | Very low | 31.5 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | | -175.9 | 149.4 | 66.5 | -87.9 | -168.5 | 168.4 | -172.6 | 0 | 116.4 | | |
| 343 | I | 30.7 | Very low | 31 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 61% | 0.605 | 78% | 0.781 | S | S | * | * | | | trans | 63.1 | 106.5 | 131.9 | -62.7 | -178.1 | 0 | 0 | 0 | 120 | | |
| 344 | E | 32.7 | Very low | 30.7 | Very low | 171 Ų | 171 | 138.2 Ų | 138.2 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | | | | 81.7 | 146.3 | 96.2 | -66.7 | 163.9 | -171.4 | 0 | 0 | 115.5 | | |
| 345 | D | 29.8 | Very low | 30.8 | Very low | 134 Ų | 134 | 141.4 Ų | 141.4 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | | | cis | -124.8 | -136.9 | 7.1 | -160.3 | 14.2 | 0 | 0 | 0 | 111.2 | | |
| 346 | L | 33.2 | Very low | 31.8 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | | | cis | -154.4 | 162.2 | 6.5 | -136.8 | -175.7 | 0 | 0 | 0 | 111.5 | | |
| 347 | L | 31 | Very low | 31.6 | Very low | 145 Ų | 145 | 129.4 Ų | 129.4 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | | | trans | -56.9 | 158 | 172.3 | -60.7 | 164.7 | 0 | 0 | 0 | 113.2 | | |
| 348 | S | 28.2 | Very low | 31.1 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | | | cis | -163.1 | 152.5 | 18.5 | -136.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 349 | I | 30.2 | Very low | 32.4 | Very low | 172 Ų | 172 | 131.6 Ų | 131.6 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | | | trans | 176.4 | 145.2 | 140.8 | -92.5 | 155.4 | 0 | 0 | 0 | 108.9 | | |
| 350 | S | 26 | Very low | 32.6 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | | | trans | -92.6 | 159 | -157.7 | -53.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 351 | C | 26.9 | Very low | 32.8 | Very low | 112 Ų | 112 | 131 Ų | 131 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | | | trans | -64.5 | 176.9 | 173.1 | -42.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 352 | P | 42.4 | Very low | 32.7 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | | | | -102.3 | 156.2 | 52.1 | -6.5 | 28.3 | 0 | 0 | 0 | 113.4 | | |
| 353 | A | 30.6 | Very low | 32.7 | Very low | 87 Ų | 87 | 133 Ų | 133 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | | | cis | 69 | 133.7 | 49.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 354 | E | 28.8 | Very low | 32.6 | Very low | 191 Ų | 191 | 137.2 Ų | 137.2 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | | | cis | -123.8 | -164 | 22.3 | -57.8 | -167.4 | 99.7 | 0 | 0 | 115.9 | | |
| 355 | L | 28.2 | Very low | 33.8 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | | | trans | -153.5 | -175.5 | -163 | -88.6 | 179.3 | 0 | 0 | 0 | 109.1 | | |
| 356 | P | 47.9 | Very low | 34 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | | | cis | -138.7 | -172.2 | -30.6 | 34.9 | -15 | 0 | 0 | 0 | 115.1 | | |
| 357 | A | 28.8 | Very low | 34 | Very low | 90 Ų | 90 | 131.1 Ų | 131.1 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | | | trans | 75.9 | 160.9 | 146.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 358 | V | 29.7 | Very low | 34.3 | Very low | 134 Ų | 134 | 126.7 Ų | 126.7 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | | | cis | -137.1 | 149.9 | 9.3 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 359 | P | 56.9 | Low | 34.6 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | | | trans | -107 | 169.5 | 179.2 | 40.3 | -35 | 0 | 0 | 0 | 115.7 | | |
| 360 | A | 32.8 | Very low | 34.8 | Very low | 80 Ų | 80 | 130 Ų | 130 | 66% | 0.661 | 76% | 0.762 | S | S | * | * | | | | 153.9 | 149.8 | 127.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 361 | N | 31.7 | Very low | 35.3 | Very low | 152 Ų | 152 | 128.8 Ų | 128.8 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | | | trans | 66.2 | 146.7 | 155.5 | -56.1 | -31.7 | 0 | 0 | 0 | 119 | | |
| 362 | R | 30.8 | Very low | 35.7 | Very low | 219 Ų | 219 | 132.9 Ų | 132.9 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | | | cis | -151.5 | 147.2 | 39.4 | -83.6 | -173.6 | 147.7 | 143.4 | -5.1 | 113.3 | | |
| 363 | L | 29.1 | Very low | 36.3 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 63% | 0.634 | 76% | 0.76 | S | S | * | * | | | | 64.5 | 146.1 | 95.1 | -45.9 | 178.3 | 0 | 0 | 0 | 116.2 | | |
| 364 | Y | 29.6 | Very low | 36.4 | Very low | 207 Ų | 207 | 136.2 Ų | 136.2 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | | | cis | -159.9 | -159.2 | -2.2 | -126.6 | -27.4 | 0 | 0 | 0 | 114 | | |
| 365 | P | 57.9 | Low | 36.7 | Very low | 109 Ų | 109 | 131 Ų | 131 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | | | trans | -129.7 | -152.7 | -150.7 | 47.3 | -25.1 | 0 | 0 | 0 | 115.8 | | |
| 366 | S | 33.2 | Very low | 37.7 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | trans | -152 | 172.7 | 161.2 | 63.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 367 | G | 32.9 | Very low | 36.9 | Very low | 82 Ų | 82 | 127.7 Ų | 127.7 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | | | trans | -138.5 | -152.2 | -166.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 368 | A | 38.1 | Very low | 37 | Very low | 52 Ų | 52 | 131.3 Ų | 131.3 | 43% | 0.43 | 77% | 0.765 | S | S | . | * | | | trans | -113.7 | 171.8 | -156 | 0 | 0 | 0 | 0 | 0 | 117.3 | T330 | T330-A368 HydrophobicContact CG2-CB 3.45Å; T330-A368 VanDerWaalsContact CG2-CB 3.45Å; T330-A368 WeakPolarHBondContact OG1-CB 3.47Å |
| 369 | Y | 33.6 | Very low | 37.1 | Very low | 198 Ų | 198 | 133 Ų | 133 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | | 151.6 | 137.9 | 126.1 | -85.4 | -66.8 | 0 | 0 | 0 | 118 | | |
| 370 | D | 35.6 | Very low | 35.8 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | trans | 53.4 | 159.6 | 136.7 | -67.3 | -1.3 | 0 | 0 | 0 | 125.3 | | |
| 371 | A | 36.6 | Very low | 35.9 | Very low | 90 Ų | 90 | 137.1 Ų | 137.1 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | | | cis | -171.4 | -173.2 | -20.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 372 | F | 34.6 | Very low | 35.8 | Very low | 198 Ų | 198 | 133.6 Ų | 133.6 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | | | trans | -48.6 | 160.4 | -172 | -89.5 | -81.3 | 0 | 0 | 0 | 123.1 | | |
| 373 | P | 54.7 | Low | 35.9 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | | | | -140.1 | -178 | 97.2 | 42.4 | -29.3 | 0 | 0 | 0 | 113.4 | | |
| 374 | L | 33.5 | Very low | 36.1 | Very low | 170 Ų | 170 | 130.4 Ų | 130.4 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | | | cis | -158.8 | -167.4 | -4.9 | -126.5 | 172.7 | 0 | 0 | 0 | 111.1 | | |
| 375 | A | 35.4 | Very low | 36.2 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | | | trans | -153.5 | -171.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 376 | P | 48.8 | Very low | 35.2 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | cis | -139.6 | -157.2 | 1.8 | 45.5 | -24.9 | 0 | 0 | 0 | 115.7 | | |
| 377 | G | 31 | Very low | 36.4 | Very low | 69 Ų | 69 | 127.6 Ų | 127.6 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | | | trans | 166.4 | 170.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 378 | D | 29.7 | Very low | 36.3 | Very low | 166 Ų | 166 | 127.1 Ų | 127.1 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | | | cis | -163 | -164.7 | -15.2 | -147.1 | -79.5 | 0 | 0 | 0 | 110.9 | | |
| 379 | L | 33.3 | Very low | 36 | Very low | 170 Ų | 170 | 132.2 Ų | 132.2 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | | | trans | -114.1 | 147.6 | -170.8 | -75.8 | 174 | 0 | 0 | 0 | 118.6 | | |
| 380 | G | 28.9 | Very low | 35.7 | Very low | 77 Ų | 77 | 130.1 Ų | 130.1 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | | | trans | 165.8 | 143.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 381 | E | 35.2 | Very low | 35.5 | Very low | 207 Ų | 207 | 129.6 Ų | 129.6 | 97% | 0.967 | 82% | 0.816 | S | S | * | * | | | trans | -118.2 | 153.3 | -163.9 | -67.2 | -179.6 | 89.1 | 0 | 0 | 117.7 | | |
| 382 | G | 30.1 | Very low | 36.4 | Very low | 78 Ų | 78 | 130.7 Ų | 130.7 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | 91 | 157.7 | 150 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 383 | A | 32.7 | Very low | 37.3 | Very low | 85 Ų | 85 | 126.7 Ų | 126.7 | 70% | 0.702 | 81% | 0.81 | S | S | * | * | | | cis | -171.5 | 167.6 | -21 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 384 | E | 32.3 | Very low | 36 | Very low | 188 Ų | 188 | 127.2 Ų | 127.2 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | | | trans | 59.1 | 134.8 | 164.8 | -46.8 | -48.1 | 92.4 | 0 | 0 | 121.7 | | |
| 385 | G | 32.4 | Very low | 35.9 | Very low | 79 Ų | 79 | 122 Ų | 122 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | | | trans | 140.3 | 98.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 386 | L | 36.3 | Very low | 35.9 | Very low | 179 Ų | 179 | 127.9 Ų | 127.9 | 94% | 0.937 | 82% | 0.817 | S | S | * | * | | | trans | -103.2 | 167.3 | 179.6 | -82.1 | 173.6 | 0 | 0 | 0 | 114.1 | | |
| 387 | P | 58.6 | Low | 35 | Very low | 124 Ų | 124 | 125 Ų | 125 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | | | trans | -116.6 | -178.2 | -155 | 44.1 | -37.2 | 0 | 0 | 0 | 116.5 | | |
| 388 | G | 32 | Very low | 35.1 | Very low | 72 Ų | 72 | 125.7 Ų | 125.7 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | | | trans | 122.7 | 167.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 389 | L | 30 | Very low | 35.2 | Very low | 159 Ų | 159 | 124 Ų | 124 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | | | cis | -169 | 176.3 | -12 | -133.5 | -179.5 | 0 | 0 | 0 | 108.7 | | |
| 390 | L | 29 | Very low | 35.3 | Very low | 153 Ų | 153 | 121.8 Ų | 121.8 | 80% | 0.801 | 82% | 0.819 | S | S | * | * | | | trans | 77.6 | 171.7 | 163.8 | -61.5 | 170.8 | 0 | 0 | 0 | 119.8 | | |
| 391 | T | 30.1 | Very low | 35.4 | Very low | 131 Ų | 131 | 122 Ų | 122 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | trans | -124.4 | -110.5 | -156.2 | 33.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 392 | P | 56.6 | Low | 35.6 | Very low | 113 Ų | 113 | 120.4 Ų | 120.4 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | | | | -112.3 | -174.8 | -129 | 37.4 | -19 | 0 | 0 | 0 | 114.1 | | |
| 393 | P | 52.8 | Low | 35.8 | Very low | 115 Ų | 115 | 120 Ų | 120 | 75% | 0.747 | 82% | 0.815 | S | S | * | * | | | cis | -141.7 | -149.9 | 14.3 | 44.4 | -22.6 | 0 | 0 | 0 | 115.5 | | |
| 394 | S | 28.4 | Very low | 35.9 | Very low | 120 Ų | 120 | 119.4 Ų | 119.4 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | | | trans | 82.8 | 142.8 | 165.1 | -58.8 | 0 | 0 | 0 | 0 | 118.7 | | |
| 395 | G | 31.3 | Very low | 36.2 | Very low | 61 Ų | 61 | 118.2 Ų | 118.2 | 63% | 0.629 | 81% | 0.812 | S | S | * | * | | | cis | -171.6 | -178.3 | -2.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 396 | E | 33.6 | Very low | 36 | Very low | 204 Ų | 204 | 122.8 Ų | 122.8 | 95% | 0.953 | 81% | 0.809 | S | S | * | * | | | trans | 44.4 | 138.9 | 163.5 | 71.2 | -155.7 | 117.8 | 0 | 0 | 122.5 | | |
| 397 | G | 31.3 | Very low | 35.9 | Very low | 76 Ų | 76 | 122.2 Ų | 122.2 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | | | cis | 170.1 | 176.2 | -6.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 398 | G | 32.2 | Very low | 34.6 | Very low | 83 Ų | 83 | 122.4 Ų | 122.4 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | | | trans | 78.7 | 96 | 150.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 399 | S | 32.2 | Very low | 34.4 | Very low | 129 Ų | 129 | 124 Ų | 124 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | | | trans | -158.7 | 125.3 | 144.7 | -172.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 400 | S | 35.6 | Very low | 34.5 | Very low | 124 Ų | 124 | 122.9 Ų | 122.9 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | trans | -157.4 | 136 | 172.6 | 57.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 401 | G | 31.8 | Very low | 34.8 | Very low | 82 Ų | 82 | 123.1 Ų | 123.1 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | trans | -144.2 | 125.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 402 | D | 38.9 | Very low | 35.6 | Very low | 174 Ų | 174 | 121.7 Ų | 121.7 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | | | trans | -127.5 | 165 | -176.1 | -141.4 | -43.1 | 0 | 0 | 0 | 110.8 | | |
| 403 | G | 34.8 | Very low | 34.3 | Very low | 69 Ų | 69 | 123.7 Ų | 123.7 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | | | trans | -92.5 | 168.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 404 | G | 33.5 | Very low | 33.2 | Very low | 72 Ų | 72 | 125 Ų | 125 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | | | trans | -155.8 | 130.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 405 | E | 38.4 | Very low | 33.5 | Very low | 164 Ų | 164 | 124.3 Ų | 124.3 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | | | trans | -68.3 | 163.9 | -179.4 | 59.8 | -110.5 | 54.3 | 0 | 0 | 115.9 | | |
| 406 | F | 28.2 | Very low | 34.4 | Very low | 175 Ų | 175 | 126.7 Ų | 126.7 | 77% | 0.768 | 79% | 0.794 | S | S | * | * | | | | 177.9 | 140 | 114.8 | -115 | -86.7 | 0 | 0 | 0 | 113.8 | | |
| 407 | L | 34.2 | Very low | 34.3 | Very low | 166 Ų | 166 | 125.4 Ų | 125.4 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | | | trans | 156 | 155.2 | 131.4 | -83 | 179.4 | 0 | 0 | 0 | 112.9 | | |
| 408 | V | 30.8 | Very low | 34.1 | Very low | 128 Ų | 128 | 124.5 Ų | 124.5 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -138.4 | 162.5 | -165.6 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 409 | S | 28.7 | Very low | 34.1 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | | | trans | 80.5 | 144.9 | 179.5 | -59.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 410 | T | 31.5 | Very low | 34.1 | Very low | 136 Ų | 136 | 133 Ų | 133 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | | | cis | -146.3 | 158.3 | 13.9 | -24.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 411 | Q | 35.8 | Very low | 34.2 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | | | trans | -73.8 | -179.7 | 160.8 | -123.5 | -156.2 | 38.7 | 0 | 0 | 110.5 | | |
| 412 | P | 48 | Very low | 34.3 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 66% | 0.656 | 77% | 0.772 | S | S | * | * | | | cis | -101.4 | -156 | 21.7 | 45.8 | -41.6 | 0 | 0 | 0 | 112.5 | | |
| 413 | Q | 28.8 | Very low | 34 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | | | cis | -148.1 | 177 | 5.5 | -122.5 | -43.1 | 2.6 | 0 | 0 | 110.7 | | |
| 414 | L | 29.6 | Very low | 33.8 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | | | trans | -128.3 | 179.1 | 174 | -81.4 | 166.8 | 0 | 0 | 0 | 111.8 | | |
| 415 | S | 33.4 | Very low | 33.8 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | | | trans | 108.3 | 156.9 | 158.5 | -36.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 416 | P | 51.8 | Low | 33.3 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | | | | -145.7 | 178.7 | -95.5 | 38.4 | -16.1 | 0 | 0 | 0 | 116.7 | | |
| 417 | L | 30.1 | Very low | 33.5 | Very low | 177 Ų | 177 | 131.2 Ų | 131.2 | 93% | 0.927 | 77% | 0.774 | S | S | * | * | | | trans | 56.4 | 143.5 | 158.7 | -64 | 163.1 | 0 | 0 | 0 | 118.5 | | |
| 418 | G | 27.5 | Very low | 34.3 | Very low | 57 Ų | 57 | 129.1 Ų | 129.1 | 59% | 0.588 | 77% | 0.77 | S | S | * | * | | | cis | 169.8 | -171.7 | 0.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 419 | L | 33.1 | Very low | 34.8 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | | | trans | 72 | 145.8 | -179.4 | -48.2 | 172.1 | 0 | 0 | 0 | 114.4 | | |
| 420 | R | 32.4 | Very low | 35.6 | Very low | 224 Ų | 224 | 132.5 Ų | 132.5 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | | | cis | -151.6 | 169.3 | 4.5 | -134.6 | 168.9 | -176.5 | -160.1 | 0.4 | 112.1 | | |
| 421 | S | 35.9 | Very low | 35.9 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | -43.6 | 170.4 | -175.5 | -36 | 0 | 0 | 0 | 0 | 118.8 | | |
| 422 | A | 33.8 | Very low | 35.7 | Very low | 87 Ų | 87 | 132.6 Ų | 132.6 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | | | cis | -154 | 148.9 | 17.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 423 | A | 33.5 | Very low | 35 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | | 72.9 | 142 | 103.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 424 | A | 31.2 | Very low | 35.1 | Very low | 91 Ų | 91 | 131.1 Ų | 131.1 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | cis | -169.3 | 173.1 | -13.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 425 | A | 32.2 | Very low | 35.4 | Very low | 88 Ų | 88 | 131.8 Ų | 131.8 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | 67.9 | 150.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 426 | D | 29.2 | Very low | 36.3 | Very low | 152 Ų | 152 | 132.6 Ų | 132.6 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | cis | -159.5 | 173.6 | -28.7 | -121.5 | -60.2 | 0 | 0 | 0 | 112.7 | | |
| 427 | F | 32.1 | Very low | 35.3 | Very low | 190 Ų | 190 | 131 Ų | 131 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | | | trans | -86.5 | -179 | 174.9 | -91.2 | -81.9 | 0 | 0 | 0 | 111.7 | | |
| 428 | P | 51.5 | Low | 35.3 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | | | cis | -145.5 | -178.1 | 22.9 | 45.7 | -25.3 | 0 | 0 | 0 | 119.4 | | |
| 429 | K | 39.8 | Very low | 35.6 | Very low | 176 Ų | 176 | 130.7 Ų | 130.7 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | | | trans | -95.2 | 166 | 155.7 | -96.4 | 178.5 | 175.6 | 175 | 0 | 110.2 | | |
| 430 | P | 45.2 | Very low | 35.5 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | | | trans | -104 | 155 | 147.2 | 34.4 | -28.2 | 0 | 0 | 0 | 112.9 | | |
| 431 | L | 38 | Very low | 35.8 | Very low | 157 Ų | 157 | 122.8 Ų | 122.8 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | -143.4 | 137.4 | 176.6 | -83.4 | 171 | 0 | 0 | 0 | 109.9 | | |
| 432 | V | 32.8 | Very low | 35.7 | Very low | 138 Ų | 138 | 122 Ų | 122 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | | | trans | -155 | 122.8 | 163.3 | -179 | 0 | 0 | 0 | 0 | 104.9 | | |
| 433 | A | 33 | Very low | 36 | Very low | 79 Ų | 79 | 122.1 Ų | 122.1 | 65% | 0.653 | 79% | 0.794 | S | S | * | * | | | cis | 80.5 | 82.7 | 30.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 434 | D | 31.3 | Very low | 37 | Very low | 146 Ų | 146 | 122.9 Ų | 122.9 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | | | | 114.3 | 174.1 | 81.8 | -106.1 | -79.5 | 0 | 0 | 0 | 109.1 | | |
| 435 | I | 35.9 | Very low | 37.9 | Very low | 157 Ų | 157 | 124.6 Ų | 124.6 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | | | cis | -145 | 175.1 | 13.6 | 7.4 | 178 | 0 | 0 | 0 | 109.6 | | |
| 436 | P | 51.6 | Low | 38.8 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | | | trans | -104.7 | 164.8 | -154.5 | 40.6 | -40.6 | 0 | 0 | 0 | 119.8 | | |
| 437 | G | 30.5 | Very low | 40.3 | Very low | 77 Ų | 77 | 124.7 Ų | 124.7 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | -176.4 | 146.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 438 | S | 31.2 | Very low | 41.6 | Very low | 111 Ų | 111 | 121.1 Ų | 121.1 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | cis | -159.3 | 152.5 | -0.4 | 56 | 0 | 0 | 0 | 0 | 112.5 | | |
| 439 | S | 33.4 | Very low | 41.9 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | 41.6 | 114.2 | 159.9 | 61.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 440 | G | 31 | Very low | 42.6 | Very low | 76 Ų | 76 | 117.6 Ų | 117.6 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | | | | 118.1 | 160.1 | 84.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 441 | V | 39.2 | Very low | 42.6 | Very low | 148 Ų | 148 | 117.4 Ų | 117.4 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | | | cis | -135.7 | 152 | 2 | 172.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 442 | A | 33.1 | Very low | 42.9 | Very low | 99 Ų | 99 | 115 Ų | 115 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -81.2 | 148.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 443 | A | 39.4 | Very low | 43.2 | Very low | 91 Ų | 91 | 114.5 Ų | 114.5 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | | | trans | -118.9 | 151 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 444 | P | 55.4 | Low | 43.6 | Very low | 115 Ų | 115 | 119.1 Ų | 119.1 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 148.8 | -167 | 28.6 | -35.7 | 0 | 0 | 0 | 113.8 | V446 | P444-V446 PolarHBondContact O-N 3.14Š|
| 445 | P | 49.9 | Very low | 44.4 | Very low | 127 Ų | 127 | 117.4 Ų | 117.4 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 127 | 177.2 | 29.5 | -34 | 0 | 0 | 0 | 111.7 | | |
| 446 | V | 51.7 | Low | 44.7 | Very low | 132 Ų | 132 | 115.4 Ų | 115.4 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -72 | 133.6 | 170.9 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | P444 | P444-V446 PolarHBondContact O-N 3.14Š|
| 447 | P | 61.3 | Low | 44.2 | Very low | 109 Ų | 109 | 114 Ų | 114 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -66 | 144.7 | 178.1 | 27.2 | -35 | 0 | 0 | 0 | 111.6 | | |
| 448 | P | 58.5 | Low | 44.5 | Very low | 115 Ų | 115 | 120 Ų | 120 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 148 | 176.8 | 28.9 | -34.8 | 0 | 0 | 0 | 111.2 | | |
| 449 | P | 57 | Low | 44.7 | Very low | 114 Ų | 114 | 120.5 Ų | 120.5 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 150.4 | 176 | 28.4 | -35.1 | 0 | 0 | 0 | 111.2 | | |
| 450 | P | 54.9 | Low | 45.1 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 145.8 | 178.8 | 26.8 | -34.9 | 0 | 0 | 0 | 111.1 | T452 | P450-T452 PolarHBondContact O-N 2.83Å; P450-T452 VanDerWaalsContact O-N 3.11Å |
| 451 | P | 44.7 | Very low | 45.3 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | trans | -64 | 115.9 | 179.8 | 26.4 | -33.8 | 0 | 0 | 0 | 110 | | |
| 452 | T | 44.5 | Very low | 45.2 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | | | trans | -62.5 | 140.6 | 172.3 | 49.5 | 0 | 0 | 0 | 0 | 109.7 | P450 F454 | P450-T452 PolarHBondContact O-N 2.83Å; P450-T452 VanDerWaalsContact O-N 3.11Å; T452-F454 PolarHBondContact O-N 3.31Å |
| 453 | P | 39.2 | Very low | 45.3 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | | | trans | -69 | 98.7 | -178.7 | 27 | -33.8 | 0 | 0 | 0 | 109.8 | | |
| 454 | F | 41.3 | Very low | 45.4 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 77% | 0.772 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -53 | 129 | 168.2 | -77.2 | -93.1 | 0 | 0 | 0 | 108.9 | T452 | T452-F454 PolarHBondContact O-N 3.31Š|
| 455 | P | 47.8 | Very low | 45.1 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -58 | 130.1 | 171.8 | 25.5 | -33.3 | 0 | 0 | 0 | 107.6 | A457 | P455-A457 PolarHBondContact O-N 3.07Š|
| 456 | P | 42.7 | Very low | 45 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 120.4 | -163.1 | 18.5 | -32.3 | 0 | 0 | 0 | 110.2 | K458 | P456-K458 PolarHBondContact O-N 2.9Š|
| 457 | A | 41.5 | Very low | 44.8 | Very low | 93 Ų | 93 | 142.1 Ų | 142.1 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -50.7 | 110.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 108 | P455 V459 | P455-A457 PolarHBondContact O-N 3.07Å; A457-V459 VanDerWaalsContact C-N 3.28Å; A457-V459 PolarHBondContact O-N 3.05Å |
| 458 | K | 37.1 | Very low | 44.2 | Very low | 203 Ų | 203 | 146.9 Ų | 146.9 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | -65.8 | 92.4 | -169.2 | -76.2 | 178.9 | 179.8 | 169.2 | 0 | 108.7 | P456 R460 | P456-K458 PolarHBondContact O-N 2.9Å; K458-R460 PolarHBondContact O-N 3.15Å |
| 459 | V | 34.9 | Very low | 43.5 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | | | trans | -43.5 | 115.1 | 177.4 | 173.5 | 0 | 0 | 0 | 0 | 106.1 | A457 R461 | A457-V459 VanDerWaalsContact C-N 3.28Å; A457-V459 PolarHBondContact O-N 3.05Å; V459-R461 HydrophobicContact CG1-CG 4.45Å; V459-R461 PolarHBondContact O-N 3.28Å |
| 460 | R | 42.5 | Very low | 43.4 | Very low | 238 Ų | 238 | 144 Ų | 144 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | | | trans | -73.5 | 65.6 | -172 | -175.3 | 175.5 | 164 | -156 | -0.7 | 108.6 | K458 K462 | K458-R460 PolarHBondContact O-N 3.15Å; R460-K462 PolarHBondContact O-N 2.82Å |
| 461 | R | 35.2 | Very low | 43.2 | Very low | 227 Ų | 227 | 146 Ų | 146 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | trans | -48.7 | 106 | 172.3 | -75.2 | -171.8 | 175.6 | -165.6 | -1 | 104.9 | V459 G463 | V459-R461 HydrophobicContact CG1-CG 4.45Å; V459-R461 PolarHBondContact O-N 3.28Å; R461-G463 PolarHBondContact O-N 3.29Å |
| 462 | K | 37.3 | Very low | 43.6 | Very low | 204 Ų | 204 | 151 Ų | 151 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | | | trans | -71.5 | 75.6 | -174.6 | -170.3 | 173.3 | -176.7 | 176.5 | 0 | 106.7 | R460 R464 | R460-K462 PolarHBondContact O-N 2.82Å; K462-R464 PolarHBondContact O-N 3.24Å; K462-R464 VanDerWaalsContact O-N 3.12Å |
| 463 | G | 35.2 | Very low | 43.5 | Very low | 60 Ų | 60 | 149 Ų | 149 | 62% | 0.619 | 78% | 0.777 | S | S | * | * | | | trans | -50.1 | 121.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | R461 R465 | R461-G463 PolarHBondContact O-N 3.29Å; G463-R465 PolarHBondContact O-N 3.29Å |
| 464 | R | 41.8 | Very low | 44.1 | Very low | 246 Ų | 246 | 153.1 Ų | 153.1 | 93% | 0.928 | 78% | 0.783 | S | S | * | * | | | trans | -49.7 | 112.3 | 179.5 | -74 | -174.8 | 175.7 | -134.5 | 1.7 | 106.5 | K462 G466 | K462-R464 PolarHBondContact O-N 3.24Å; K462-R464 VanDerWaalsContact O-N 3.12Å; R464-G466 PolarHBondContact O-N 2.68Å |
| 465 | R | 48.8 | Very low | 44.2 | Very low | 241 Ų | 241 | 148.1 Ų | 148.1 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 117.1 | 179.7 | -77.5 | -175.7 | -78.7 | -146 | -0.1 | 106.1 | G463 G467 | G463-R465 PolarHBondContact O-N 3.29Å; R465-G467 PolarHBondContact O-N 3.48Å |
| 466 | G | 47.8 | Very low | 44.4 | Very low | 68 Ų | 68 | 149.1 Ų | 149.1 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 129.3 | -162.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | R464 K468 | R464-G466 PolarHBondContact O-N 2.68Å; G466-K468 PolarHBondContact O-N 3.1Å |
| 467 | G | 46.9 | Very low | 44.6 | Very low | 75 Ų | 75 | 153.2 Ų | 153.2 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 131 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | R465 C469 | R465-G467 PolarHBondContact O-N 3.48Å; G467-C469 PolarHBondContact O-N 3.12Å |
| 468 | K | 48.8 | Very low | 45.1 | Very low | 210 Ų | 210 | 154.6 Ų | 154.6 | 91% | 0.913 | 78% | 0.777 | S | S | * | * | | | trans | -56.9 | 102.4 | -178.3 | -54.9 | 168.5 | -171.2 | 172.2 | 0 | 107.6 | G466 S470 | G466-K468 PolarHBondContact O-N 3.1Å; K468-S470 PolarHBondContact O-N 2.86Å |
| 469 | C | 44.5 | Very low | 45.8 | Very low | 83 Ų | 83 | 151.8 Ų | 151.8 | 56% | 0.561 | 77% | 0.767 | S | S | * | * | | | trans | -61.9 | 128.3 | 165.3 | 52.9 | 0 | 0 | 0 | 0 | 106.5 | G467 C473 | G467-C469 PolarHBondContact O-N 3.12Å; C469-C473 HydrophobicContact CB-CB 4.01Å |
| 470 | S | 54.7 | Low | 46.9 | Very low | 84 Ų | 84 | 150.2 Ų | 150.2 | 59% | 0.587 | 77% | 0.766 | S | S | * | * | | | trans | -62.9 | 153.4 | 176.1 | 55.2 | 0 | 0 | 0 | 0 | 108.7 | K468 R472 C473 | K468-S470 PolarHBondContact O-N 2.86Å; S470-R472 PolarHBondContact O-N 3.4Å; S470-C473 PolarHBondContact O-N 3.45Å; S470-C473 VanDerWaalsContact O-N 3.11Å |
| 471 | T | 51.1 | Low | 47.6 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 25.9 | -166.9 | 38.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 472 | R | 52.4 | Low | 49.8 | Very low | 229 Ų | 229 | 140.3 Ų | 140.3 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.2 | 2.4 | 175 | -58.1 | -172.8 | -173.3 | -178.3 | 3.5 | 113.9 | S470 F474 | S470-R472 PolarHBondContact O-N 3.4Å; R472-F474 PolarHBondContact O-N 2.96Å |
| 473 | C | 42.8 | Very low | 51.9 | Low | 65 Ų | 65 | 134.8 Ų | 134.8 | 44% | 0.439 | 72% | 0.724 | S | S | . | * | | | trans | -74.9 | 92.9 | 174.6 | -65.5 | 0 | 0 | 0 | 0 | 111.5 | C469 S470 C475 | C469-C473 HydrophobicContact CB-CB 4.01Å; S470-C473 PolarHBondContact O-N 3.45Å; S470-C473 VanDerWaalsContact O-N 3.11Å; C473-C475 PolarHBondContact O-N 3.34Å |
| 474 | F | 50.9 | Low | 54.3 | Low | 213 Ų | 213 | 134.9 Ų | 134.9 | 93% | 0.934 | 72% | 0.719 | S | S | * | * | | | trans | -76.7 | 59.2 | 174 | -125 | -85.1 | 0 | 0 | 0 | 111.6 | R472 P476 | R472-F474 PolarHBondContact O-N 2.96Å; F474-P476 WeakPolarHBondContact O-CD 2.96Å |
| 475 | C | 42.4 | Very low | 56.5 | Low | 72 Ų | 72 | 124 Ų | 124 | 49% | 0.486 | 68% | 0.68 | S | S | . | * | | | trans | -79 | 118.6 | 179 | -63.7 | 0 | 0 | 0 | 0 | 110.5 | C473 R477 | C473-C475 PolarHBondContact O-N 3.34Å; C475-R477 PolarHBondContact O-N 3.16Å |
| 476 | P | 52.8 | Low | 58.2 | Low | 132 Ų | 132 | 117.2 Ų | 117.2 | 86% | 0.857 | 67% | 0.667 | S | S | * | * | | | trans | -75 | 10.3 | 177.4 | 32.4 | -36.7 | 0 | 0 | 0 | 113.5 | F474 | F474-P476 WeakPolarHBondContact O-CD 2.96Š|
| 477 | R | 47.3 | Very low | 60 | Low | 200 Ų | 200 | 116.3 Ų | 116.3 | 76% | 0.755 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -83.1 | 122.6 | 173.4 | -69.6 | -176.7 | 173.3 | -178.1 | -2.5 | 108.5 | C475 H479 | C475-R477 PolarHBondContact O-N 3.16Å; R477-H479 PolarHBondContact O-CD2 3.49Å; R477-H479 PolarHBondContact O-N 2.81Å |
| 478 | P | 51.7 | Low | 61.5 | Low | 121 Ų | 121 | 122 Ų | 122 | 79% | 0.786 | 66% | 0.655 | S | S | * | * | | | trans | -69 | 97.4 | -178.3 | 26.7 | -33.8 | 0 | 0 | 0 | 110.8 | A480 | P478-A480 PolarHBondContact O-N 3.05Š|
| 479 | H | 52.7 | Low | 63.2 | Low | 145 Ų | 145 | 117.2 Ų | 117.2 | 67% | 0.671 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -71.1 | 115.4 | 174.3 | -74.5 | -87.1 | 0 | 0 | 0 | 109.6 | R477 | R477-H479 PolarHBondContact O-CD2 3.49Å; R477-H479 PolarHBondContact O-N 2.81Å |
| 480 | A | 57.5 | Low | 65.3 | Low | 88 Ų | 88 | 114.4 Ų | 114.4 | 73% | 0.727 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 71.7 | 131.1 | -164.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | P478 A482 | P478-A480 PolarHBondContact O-N 3.05Å; A480-A482 PolarHBondContact O-N 3.32Å; A480-A482 VanDerWaalsContact O-N 3.16Å |
| 481 | K | 57.2 | Low | 66.7 | Low | 195 Ų | 195 | 117.8 Ų | 117.8 | 85% | 0.848 | 65% | 0.646 | S | S | * | * | | | trans | -71.2 | 105.3 | 177.1 | -61.1 | -178 | 179.8 | -172.6 | 0 | 108.8 | | |
| 482 | A | 80.2 | Confident | 68.3 | Low | 63 Ų | 63 | 116.8 Ų | 116.8 | 52% | 0.521 | 63% | 0.625 | S | S | . | * | | | trans | -72.3 | 134 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | A480 A484 F494 | A480-A482 PolarHBondContact O-N 3.32Å; A480-A482 VanDerWaalsContact O-N 3.16Å; A482-A484 PolarHBondContact O-N 3.09Å; A482-A484 VanDerWaalsContact O-N 3.12Å; A482-F494 CarbonylContact C-O 3.6Å |
| 483 | F | 81.7 | Confident | 70 | Confident | 87 Ų | 87 | 109.7 Ų | 109.7 | 38% | 0.382 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.8 | 93.7 | 176.6 | -67.4 | -87.6 | 0 | 0 | 0 | 108.7 | S493 F494 L500 | F483-S493 CarbonylContact O-C 3.49Å; F483-S493 WeakPolarHBondContact O-CA 3.46Å; F483-F494 HydrophobicContact CB-CB 4.46Å; F483-F494 PolarHBondContact N-O 3.4Å; F483-F494 PolarHBondContact O-N 3.3Å; F483-L500 HydrophobicContact CB-CB 4.02Å; F483-L500 HydrophobicContact CB-CD2 3.88Å |
| 484 | A | 86.9 | Confident | 72.1 | Confident | 63 Ų | 63 | 107.9 Ų | 107.9 | 52% | 0.521 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.4 | 149.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A482 P486 L500 | A482-A484 PolarHBondContact O-N 3.09Å; A482-A484 VanDerWaalsContact O-N 3.12Å; A484-P486 WeakPolarHBondContact O-CD 3.23Å; A484-L500 WeakPolarHBondContact O-CD2 3.32Å |
| 485 | C | 88.3 | Confident | 73.9 | Confident | 16 Ų | 16 | 101.9 Ų | 101.9 | 11% | 0.108 | 59% | 0.585 | C | S | . | * | | | trans | -71.1 | 125.5 | 169.9 | -173.9 | 0 | 0 | 0 | 0 | 110.3 | V487 C490 R492 L500 H507 | C485-V487 PolarHBondContact O-N 2.84Å; C485-C490 HydrophobicContact CB-CB 4.38Å; C485-C490 WeakPolarHBondContact CB-O 3.4Å; C485-R492 VanDerWaalsContact CB-O 3.3Å; C485-R492 WeakPolarHBondContact CB-O 3.36Å; C485-R492 PolarHBondContact N-O 3.37Å; C485-L500 HydrophobicContact CB-CD1 4.26Å; C485-H507 PolarHBondContact SG-NE2 2.92Å |
| 486 | P | 83.8 | Confident | 76 | Confident | 99 Ų | 99 | 105.2 Ų | 105.2 | 64% | 0.643 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -67 | -15.4 | 174.5 | -22.3 | 33.9 | 0 | 0 | 0 | 114.8 | A484 E488 | A484-P486 WeakPolarHBondContact O-CD 3.23Å; P486-E488 PolarHBondContact O-N 3.42Å |
| 487 | V | 85.6 | Confident | 77.6 | Confident | 49 Ų | 49 | 101.8 Ų | 101.8 | 30% | 0.297 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -79.5 | 113.1 | 179 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | C485 S489 C490 H507 | C485-V487 PolarHBondContact O-N 2.84Å; V487-S489 VanDerWaalsContact C-N 3.26Å; V487-S489 WeakPolarHBondContact CG1-OG 3.23Å; V487-S489 PolarHBondContact O-N 3.5Å; V487-C490 HydrophobicContact CB-CB 4.41Å; V487-C490 WeakPolarHBondContact O-CA 3.49Å; V487-C490 WeakPolarHBondContact O-CB 3.29Å; V487-C490 PolarHBondContact O-N 2.9Å; V487-H507 HydrophobicContact CG2-CB 4.2Å |
| 488 | E | 77.6 | Confident | 79.4 | Confident | 194 Ų | 194 | 95.3 Ų | 95.3 | 91% | 0.907 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -34.6 | -172.3 | -58 | -173.1 | 145.5 | 0 | 0 | 114.1 | P486 C490 | P486-E488 PolarHBondContact O-N 3.42Å; E488-C490 PolarHBondContact O-N 3.34Å; E488-C490 VanDerWaalsContact O-N 3.08Å |
| 489 | S | 85.8 | Confident | 81.1 | Confident | 111 Ų | 111 | 92.1 Ų | 92.1 | 78% | 0.776 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | 1.5 | 175.3 | 64.4 | 0 | 0 | 0 | 0 | 114.2 | V487 | V487-S489 VanDerWaalsContact C-N 3.26Å; V487-S489 WeakPolarHBondContact CG1-OG 3.23Å; V487-S489 PolarHBondContact O-N 3.5Å |
| 490 | C | 86.9 | Confident | 82.9 | Confident | 24 Ų | 24 | 86 Ų | 86 | 16% | 0.162 | 49% | 0.494 | C | S | . | . | | | trans | -131.8 | 91.9 | -172.8 | -151.3 | 0 | 0 | 0 | 0 | 113.4 | C485 V487 E488 R492 H503 H507 | C485-C490 HydrophobicContact CB-CB 4.38Å; C485-C490 WeakPolarHBondContact CB-O 3.4Å; V487-C490 HydrophobicContact CB-CB 4.41Å; V487-C490 WeakPolarHBondContact O-CA 3.49Å; V487-C490 WeakPolarHBondContact O-CB 3.29Å; V487-C490 PolarHBondContact O-N 2.9Å; E488-C490 PolarHBondContact O-N 3.34Å; E488-C490 VanDerWaalsContact O-N 3.08Å; C490-R492 PolarHBondContact O-N 3.42Å; C490-H503 PolarHBondContact SG-NE2 3Å; C490-H507 VanDerWaalsContact SG-CE1 3.58Å |
| 491 | V | 86.1 | Confident | 84.2 | Confident | 155 Ų | 155 | 86.3 Ų | 86.3 | 94% | 0.939 | 48% | 0.483 | S | S | * | . | | | trans | -72.5 | 40.1 | 179.1 | -156 | 0 | 0 | 0 | 0 | 113.3 | | |
| 492 | R | 84.7 | Confident | 85.6 | Confident | 131 Ų | 131 | 80.8 Ų | 80.8 | 49% | 0.494 | 46% | 0.457 | S | S | . | . | | | trans | -103.9 | 125.9 | -177.6 | -63.3 | -170.3 | 73.5 | 174.7 | 4.5 | 111.2 | C485 C490 F494 | C485-R492 VanDerWaalsContact CB-O 3.3Å; C485-R492 WeakPolarHBondContact CB-O 3.36Å; C485-R492 PolarHBondContact N-O 3.37Å; C490-R492 PolarHBondContact O-N 3.42Å; R492-F494 HydrophobicContact CB-CE2 3.75Å; R492-F494 HydrophobicContact CB-CZ 3.88Å |
| 493 | S | 88 | Confident | 86 | Confident | 81 Ų | 81 | 78.2 Ų | 78.2 | 57% | 0.566 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 152.5 | 170.7 | 60.6 | 0 | 0 | 0 | 0 | 111.4 | F483 | F483-S493 CarbonylContact O-C 3.49Å; F483-S493 WeakPolarHBondContact O-CA 3.46Å |
| 494 | F | 86.9 | Confident | 86.3 | Confident | 26 Ų | 26 | 76.3 Ų | 76.3 | 11% | 0.114 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 148.6 | -172.1 | -61.1 | -88.2 | 0 | 0 | 0 | 111.3 | A482 F483 R492 R496 E499 L500 H503 | A482-F494 CarbonylContact C-O 3.6Å; F483-F494 HydrophobicContact CB-CB 4.46Å; F483-F494 PolarHBondContact N-O 3.4Å; F483-F494 PolarHBondContact O-N 3.3Å; R492-F494 HydrophobicContact CB-CE2 3.75Å; R492-F494 HydrophobicContact CB-CZ 3.88Å; F494-R496 VanDerWaalsContact C-N 3.25Å; F494-R496 PolarHBondContact O-N 3.07Å; F494-E499 HydrophobicContact CB-CB 4.01Å; F494-E499 HydrophobicContact CD1-CB 3.83Å; F494-E499 HydrophobicContact CG-CB 4.18Å; F494-L500 HydrophobicContact CB-CB 4.43Å; F494-L500 HydrophobicContact CD2-CB 4.06Å; F494-L500 HydrophobicContact CD2-CD1 4.11Å; F494-L500 HydrophobicContact CE2-CD1 4.32Å; F494-L500 HydrophobicContact CG-CB 4.41Å; F494-H503 HydrophobicContact CE1-CB 4.1Å; F494-H503 HydrophobicContact CE2-CB 3.86Å; F494-H503 AromaticContact CE2-CD2 3.29Å; F494-H503 WeakPolarHBondContact CE2-CD2 3.32Å; F494-H503 AromaticContact CE2-CG 3.74Å; F494-H503 HydrophobicContact CZ-CB 3.5Å; F494-H503 VanDerWaalsContact CZ-CB 3.5Å; F494-H503 AromaticContact CZ-CD2 3.42Å; F494-H503 VanDerWaalsContact CZ-CD2 3.42Å; F494-H503 WeakPolarHBondContact CZ-CD2 3.44Å; F494-H503 AromaticContact CZ-CG 3.43Å; F494-H503 VanDerWaalsContact CZ-CG 3.43Å |
| 495 | A | 87.2 | Confident | 86.3 | Confident | 87 Ų | 87 | 76.1 Ų | 76.1 | 72% | 0.719 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -74 | -17.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 496 | R | 86.2 | Confident | 86.2 | Confident | 143 Ų | 143 | 80.6 Ų | 80.6 | 54% | 0.54 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -140.3 | 153.1 | -177.4 | -37.8 | -161.2 | -47 | 179.2 | 1.1 | 112.4 | F494 D498 E499 L500 | F494-R496 VanDerWaalsContact C-N 3.25Å; F494-R496 PolarHBondContact O-N 3.07Å; R496-D498 WeakPolarHBondContact CB-OD1 3.47Å; R496-D498 IonicContact CZ-OD1 2.79Å; R496-D498 VanDerWaalsContact CZ-OD1 3.22Å; R496-D498 IonicContact CZ-OD2 3.68Å; R496-D498 IonicContact NE-OD1 3.57Å; R496-D498 PolarHBondContact NE-OD1 3.42Å; R496-D498 IonicContact NE-OD2 3.62Å; R496-D498 IonicContact NH2-OD1 2.76Å; R496-D498 PolarHBondContact NH2-OD1 3.22Å; R496-D498 IonicContact NH2-OD2 3.06Å; R496-D498 PolarHBondContact NH2-OD2 2.87Å; R496-E499 HydrophobicContact CB-CG 4.18Å; R496-E499 HydrophobicContact CG-CG 4.48Å; R496-E499 PolarHBondContact O-N 2.87Å; R496-L500 PolarHBondContact O-N 3.1Å |
| 497 | S | 87.1 | Confident | 86.2 | Confident | 60 Ų | 60 | 79.4 Ų | 79.4 | 42% | 0.42 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.1 | -34.6 | 179.5 | 49.6 | 0 | 0 | 0 | 0 | 113.7 | E499 L500 N501 | S497-E499 VanDerWaalsContact C-N 3.27Å; S497-E499 PolarHBondContact O-N 3.2Å; S497-L500 PolarHBondContact O-N 3.23Å; S497-N501 WeakPolarHBondContact O-CB 3.41Å; S497-N501 VanDerWaalsContact O-CG 3.28Å; S497-N501 PolarHBondContact O-N 2.39Å |
| 498 | D | 86.2 | Confident | 86.1 | Confident | 63 Ų | 63 | 81.8 Ų | 81.8 | 34% | 0.337 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.8 | -30.7 | 176.3 | 71 | -68.4 | 0 | 0 | 0 | 112.3 | R496 R502 | R496-D498 WeakPolarHBondContact CB-OD1 3.47Å; R496-D498 IonicContact CZ-OD1 2.79Å; R496-D498 VanDerWaalsContact CZ-OD1 3.22Å; R496-D498 IonicContact CZ-OD2 3.68Å; R496-D498 IonicContact NE-OD1 3.57Å; R496-D498 PolarHBondContact NE-OD1 3.42Å; R496-D498 IonicContact NE-OD2 3.62Å; R496-D498 IonicContact NH2-OD1 2.76Å; R496-D498 PolarHBondContact NH2-OD1 3.22Å; R496-D498 IonicContact NH2-OD2 3.06Å; R496-D498 PolarHBondContact NH2-OD2 2.87Å; D498-R502 WeakPolarHBondContact O-CB 3.12Å; D498-R502 PolarHBondContact O-N 3.21Å |
| 499 | E | 87.3 | Confident | 86.4 | Confident | 55 Ų | 55 | 74.2 Ų | 74.2 | 26% | 0.257 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -73.3 | -39.2 | 176.4 | -59.6 | -158.6 | 115.6 | 0 | 0 | 111.7 | F494 R496 S497 R502 H503 | F494-E499 HydrophobicContact CB-CB 4.01Å; F494-E499 HydrophobicContact CD1-CB 3.83Å; F494-E499 HydrophobicContact CG-CB 4.18Å; R496-E499 HydrophobicContact CB-CG 4.18Å; R496-E499 HydrophobicContact CG-CG 4.48Å; R496-E499 PolarHBondContact O-N 2.87Å; S497-E499 VanDerWaalsContact C-N 3.27Å; S497-E499 PolarHBondContact O-N 3.2Å; E499-R502 PolarHBondContact O-N 3.06Å; E499-R502 IonicContact OE1-CZ 3.89Å; E499-R502 IonicContact OE1-NH2 2.82Å; E499-R502 PolarHBondContact OE1-NH2 2.96Å; E499-H503 WeakPolarHBondContact O-CB 2.88Å; E499-H503 PolarHBondContact O-N 3.4Å |
| 500 | L | 88.8 | Confident | 86.5 | Confident | 17 Ų | 17 | 74 Ų | 74 | 9% | 0.089 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.7 | -49.8 | 168.5 | 172.3 | 60.2 | 0 | 0 | 0 | 110.8 | F483 A484 C485 F494 R496 S497 R502 H503 L504 | F483-L500 HydrophobicContact CB-CB 4.02Å; F483-L500 HydrophobicContact CB-CD2 3.88Å; A484-L500 WeakPolarHBondContact O-CD2 3.32Å; C485-L500 HydrophobicContact CB-CD1 4.26Å; F494-L500 HydrophobicContact CB-CB 4.43Å; F494-L500 HydrophobicContact CD2-CB 4.06Å; F494-L500 HydrophobicContact CD2-CD1 4.11Å; F494-L500 HydrophobicContact CE2-CD1 4.32Å; F494-L500 HydrophobicContact CG-CB 4.41Å; R496-L500 PolarHBondContact O-N 3.1Å; S497-L500 PolarHBondContact O-N 3.23Å; L500-R502 VanDerWaalsContact C-N 3.27Å; L500-R502 PolarHBondContact O-N 3Å; L500-H503 CarbonylContact O-C 3.44Å; L500-H503 WeakPolarHBondContact O-CA 3.37Å; L500-H503 WeakPolarHBondContact O-CB 3.35Å; L500-H503 PolarHBondContact O-N 3.44Å; L500-L504 HydrophobicContact CD1-CD1 4.34Å; L500-L504 HydrophobicContact CD1-CD2 4.44Å; L500-L504 HydrophobicContact CD1-CG 4.03Å; L500-L504 HydrophobicContact CG-CD1 4.17Å; L500-L504 HydrophobicContact CG-CG 4.32Å; L500-L504 WeakPolarHBondContact O-CG 3.46Å; L500-L504 PolarHBondContact O-N 3.36Å |
| 501 | N | 86.4 | Confident | 86.6 | Confident | 94 Ų | 94 | 78.3 Ų | 78.3 | 50% | 0.503 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.7 | -35.2 | 178.7 | -70.6 | -10.9 | 0 | 0 | 0 | 112.1 | S497 H503 R505 | S497-N501 WeakPolarHBondContact O-CB 3.41Å; S497-N501 VanDerWaalsContact O-CG 3.28Å; S497-N501 PolarHBondContact O-N 2.39Å; N501-H503 VanDerWaalsContact C-N 3.34Å; N501-R505 PolarHBondContact O-N 3.18Å |
| 502 | R | 87 | Confident | 86.5 | Confident | 79 Ų | 79 | 73.9 Ų | 73.9 | 30% | 0.298 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.7 | -32.6 | 170.3 | -178.5 | -178.7 | 64.8 | -162.4 | -5.8 | 112.5 | D498 E499 L500 R524 | D498-R502 WeakPolarHBondContact O-CB 3.12Å; D498-R502 PolarHBondContact O-N 3.21Å; E499-R502 PolarHBondContact O-N 3.06Å; E499-R502 IonicContact OE1-CZ 3.89Å; E499-R502 IonicContact OE1-NH2 2.82Å; E499-R502 PolarHBondContact OE1-NH2 2.96Å; L500-R502 VanDerWaalsContact C-N 3.27Å; L500-R502 PolarHBondContact O-N 3Å; R502-R524 HydrophobicContact CG-CG 4.31Å |
| 503 | H | 87.9 | Confident | 86.8 | Confident | 9 Ų | 9 | 70.7 Ų | 70.7 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -75.7 | -39 | 174.4 | 173.9 | 41.5 | 0 | 0 | 0 | 112.9 | C490 F494 E499 L500 N501 R505 I506 H507 | C490-H503 PolarHBondContact SG-NE2 3Å; F494-H503 HydrophobicContact CE1-CB 4.1Å; F494-H503 HydrophobicContact CE2-CB 3.86Å; F494-H503 AromaticContact CE2-CD2 3.29Å; F494-H503 WeakPolarHBondContact CE2-CD2 3.32Å; F494-H503 AromaticContact CE2-CG 3.74Å; F494-H503 HydrophobicContact CZ-CB 3.5Å; F494-H503 VanDerWaalsContact CZ-CB 3.5Å; F494-H503 AromaticContact CZ-CD2 3.42Å; F494-H503 VanDerWaalsContact CZ-CD2 3.42Å; F494-H503 WeakPolarHBondContact CZ-CD2 3.44Å; F494-H503 AromaticContact CZ-CG 3.43Å; F494-H503 VanDerWaalsContact CZ-CG 3.43Å; E499-H503 WeakPolarHBondContact O-CB 2.88Å; E499-H503 PolarHBondContact O-N 3.4Å; L500-H503 CarbonylContact O-C 3.44Å; L500-H503 WeakPolarHBondContact O-CA 3.37Å; L500-H503 WeakPolarHBondContact O-CB 3.35Å; L500-H503 PolarHBondContact O-N 3.44Å; N501-H503 VanDerWaalsContact C-N 3.34Å; H503-R505 PolarHBondContact O-N 3.43Å; H503-I506 WeakPolarHBondContact O-CB 3.44Å; H503-I506 WeakPolarHBondContact O-CG1 3.37Å; H503-I506 PolarHBondContact O-N 2.86Å; H503-H507 AromaticContact CE1-CE1 3.77Å; H503-H507 AromaticContact CE1-NE2 3.25Å; H503-H507 PolarHBondContact CE1-NE2 3.1Å; H503-H507 VanDerWaalsContact CE1-NE2 3.25Å; H503-H507 AromaticContact NE2-CD2 3.96Å; H503-H507 AromaticContact NE2-CE1 3.97Å; H503-H507 AromaticContact NE2-NE2 3.13Å; H503-H507 PolarHBondContact NE2-NE2 3.34Å; H503-H507 VanDerWaalsContact NE2-NE2 3.13Å |
| 504 | L | 87.1 | Confident | 86.9 | Confident | 46 Ų | 46 | 71.4 Ų | 71.4 | 24% | 0.241 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.5 | -29.9 | 176.6 | -74.5 | 174.9 | 0 | 0 | 0 | 112.8 | L500 I506 H507 T508 | L500-L504 HydrophobicContact CD1-CD1 4.34Å; L500-L504 HydrophobicContact CD1-CD2 4.44Å; L500-L504 HydrophobicContact CD1-CG 4.03Å; L500-L504 HydrophobicContact CG-CD1 4.17Å; L500-L504 HydrophobicContact CG-CG 4.32Å; L500-L504 WeakPolarHBondContact O-CG 3.46Å; L500-L504 PolarHBondContact O-N 3.36Å; L504-I506 PolarHBondContact O-N 3.34Å; L504-H507 PolarHBondContact O-N 3.43Å; L504-H507 VanDerWaalsContact O-N 3.15Å; L504-T508 PolarHBondContact O-N 2.97Å; L504-T508 PolarHBondContact O-OG1 3.33Å |
| 505 | R | 87.7 | Confident | 87.2 | Confident | 59 Ų | 59 | 70.2 Ų | 70.2 | 22% | 0.223 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.9 | -13.8 | 169.7 | -75.3 | -171.5 | -73.7 | -158.1 | -8.5 | 115 | N501 H503 T508 G509 H510 S523 | N501-R505 PolarHBondContact O-N 3.18Å; H503-R505 PolarHBondContact O-N 3.43Å; R505-T508 WeakPolarHBondContact CA-OG1 3.2Å; R505-G509 CarbonylContact O-C 3.53Å; R505-G509 WeakPolarHBondContact O-CA 3.49Å; R505-G509 PolarHBondContact O-N 3.06Å; R505-H510 WeakPolarHBondContact CB-O 3.47Å; R505-H510 HydrophobicContact CG-CB 4.21Å; R505-H510 PolarHBondContact O-N 3.37Å; R505-S523 PolarHBondContact NE-O 3.32Å; R505-S523 PolarHBondContact NH1-O 3.18Å |
| 506 | I | 85.6 | Confident | 87.4 | Confident | 110 Ų | 110 | 77.6 Ų | 77.6 | 56% | 0.564 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -79.8 | -45.5 | 172.1 | -54.9 | -179.4 | 0 | 0 | 0 | 109.6 | H503 L504 G509 | H503-I506 WeakPolarHBondContact O-CB 3.44Å; H503-I506 WeakPolarHBondContact O-CG1 3.37Å; H503-I506 PolarHBondContact O-N 2.86Å; L504-I506 PolarHBondContact O-N 3.34Å; I506-G509 PolarHBondContact O-N 2.95Å |
| 507 | H | 85.1 | Confident | 87.6 | Confident | 74 Ų | 74 | 75.6 Ų | 75.6 | 34% | 0.343 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70.5 | -44 | 179.6 | -59.3 | -52.5 | 0 | 0 | 0 | 112.5 | C485 V487 C490 H503 L504 G509 | C485-H507 PolarHBondContact SG-NE2 2.92Å; V487-H507 HydrophobicContact CG2-CB 4.2Å; C490-H507 VanDerWaalsContact SG-CE1 3.58Å; H503-H507 AromaticContact CE1-CE1 3.77Å; H503-H507 AromaticContact CE1-NE2 3.25Å; H503-H507 PolarHBondContact CE1-NE2 3.1Å; H503-H507 VanDerWaalsContact CE1-NE2 3.25Å; H503-H507 AromaticContact NE2-CD2 3.96Å; H503-H507 AromaticContact NE2-CE1 3.97Å; H503-H507 AromaticContact NE2-NE2 3.13Å; H503-H507 PolarHBondContact NE2-NE2 3.34Å; H503-H507 VanDerWaalsContact NE2-NE2 3.13Å; L504-H507 PolarHBondContact O-N 3.43Å; L504-H507 VanDerWaalsContact O-N 3.15Å; H507-G509 PolarHBondContact O-N 3.34Å |
| 508 | T | 83 | Confident | 87.8 | Confident | 100 Ų | 100 | 75.5 Ų | 75.5 | 61% | 0.613 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -3.1 | 177 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | L504 R505 H510 | L504-T508 PolarHBondContact O-N 2.97Å; L504-T508 PolarHBondContact O-OG1 3.33Å; R505-T508 WeakPolarHBondContact CA-OG1 3.2Å; T508-H510 PolarHBondContact O-N 2.85Å |
| 509 | G | 84.2 | Confident | 88 | Confident | 35 Ų | 35 | 77.9 Ų | 77.9 | 36% | 0.361 | 39% | 0.385 | S | S | . | . | | | trans | 61.6 | 2.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | R505 I506 H507 K511 | R505-G509 CarbonylContact O-C 3.53Å; R505-G509 WeakPolarHBondContact O-CA 3.49Å; R505-G509 PolarHBondContact O-N 3.06Å; I506-G509 PolarHBondContact O-N 2.95Å; H507-G509 PolarHBondContact O-N 3.34Å; G509-K511 WeakPolarHBondContact O-CD 3.48Å; G509-K511 WeakPolarHBondContact O-CE 3.44Å; G509-K511 VanDerWaalsContact O-CG 3.29Å; G509-K511 WeakPolarHBondContact O-CG 3.38Å; G509-K511 PolarHBondContact O-N 3.37Å |
| 510 | H | 87.2 | Confident | 88.1 | Confident | 106 Ų | 106 | 83.3 Ų | 83.3 | 49% | 0.491 | 40% | 0.403 | S | S | . | . | | | trans | -67.5 | 119 | -166.4 | 177.2 | -136.2 | 0 | 0 | 0 | 113.1 | R505 T508 P512 | R505-H510 WeakPolarHBondContact CB-O 3.47Å; R505-H510 HydrophobicContact CG-CB 4.21Å; R505-H510 PolarHBondContact O-N 3.37Å; T508-H510 PolarHBondContact O-N 2.85Å; H510-P512 WeakPolarHBondContact O-CD 3.22Å |
| 511 | K | 88.6 | Confident | 88.2 | Confident | 114 Ų | 114 | 86.1 Ų | 86.1 | 50% | 0.496 | 42% | 0.418 | S | S | . | . | | | trans | -125 | 76.6 | -172 | -68.6 | 149.3 | -171.2 | 164.7 | 0 | 111.6 | G509 F513 N521 F522 | G509-K511 WeakPolarHBondContact O-CD 3.48Å; G509-K511 WeakPolarHBondContact O-CE 3.44Å; G509-K511 VanDerWaalsContact O-CG 3.29Å; G509-K511 WeakPolarHBondContact O-CG 3.38Å; G509-K511 PolarHBondContact O-N 3.37Å; K511-F513 PolarHBondContact O-N 2.82Å; K511-N521 HydrophobicContact CB-CB 3.73Å; K511-N521 HydrophobicContact CD-CB 4.41Å; K511-F522 CarbonylContact C-O 3.57Å; K511-F522 VanDerWaalsContact CA-O 3.27Å; K511-F522 WeakPolarHBondContact CA-O 3.04Å |
| 512 | P | 85.3 | Confident | 88.4 | Confident | 63 Ų | 63 | 83.4 Ų | 83.4 | 41% | 0.409 | 40% | 0.402 | S | S | . | . | | | trans | -75.2 | -0.1 | -172 | 29.8 | -36 | 0 | 0 | 0 | 115.3 | H510 | H510-P512 WeakPolarHBondContact O-CD 3.22Š|
| 513 | F | 89.3 | Confident | 88.4 | Confident | 63 Ų | 63 | 81.4 Ų | 81.4 | 28% | 0.276 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 96 | -176.1 | -58.9 | -74.5 | 0 | 0 | 0 | 111.1 | K511 F522 R524 S525 L528 | K511-F513 PolarHBondContact O-N 2.82Å; F513-F522 HydrophobicContact CB-CB 4.29Å; F513-F522 WeakPolarHBondContact CB-O 3.36Å; F513-F522 PolarHBondContact N-O 3.16Å; F513-F522 VanDerWaalsContact N-O 3.09Å; F513-F522 PolarHBondContact O-N 3.21Å; F513-R524 VanDerWaalsContact CD2-CA 3.49Å; F513-S525 VanDerWaalsContact CD2-N 3.31Å; F513-S525 VanDerWaalsContact CE2-N 3.35Å; F513-L528 HydrophobicContact CB-CB 4.14Å; F513-L528 HydrophobicContact CB-CD2 3.86Å |
| 514 | Q | 91.9 | Very high | 88.4 | Confident | 97 Ų | 97 | 84.4 Ų | 84.4 | 45% | 0.453 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 139.1 | 178.7 | -166.6 | 165.2 | 40.5 | 0 | 0 | 112.6 | L519 N521 L528 | Q514-L519 WeakPolarHBondContact CG-O 3.49Å; Q514-L519 PolarHBondContact NE2-O 3.24Å; Q514-N521 WeakPolarHBondContact CA-OD1 3.25Å; Q514-N521 WeakPolarHBondContact CB-OD1 3.4Å; Q514-N521 WeakPolarHBondContact CG-OD1 3.46Å; Q514-L528 WeakPolarHBondContact O-CD2 3.42Å |
| 515 | C | 93.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 85.2 Ų | 85.2 | 0% | 0 | 42% | 0.42 | C | S | . | . | | | trans | -79.8 | 120 | 168.2 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | I517 L519 R520 F522 L528 H531 | C515-I517 PolarHBondContact O-N 3.11Å; C515-L519 WeakPolarHBondContact O-CA 3.35Å; C515-L519 PolarHBondContact O-N 2.96Å; C515-R520 PolarHBondContact N-O 3.3Å; C515-F522 HydrophobicContact CB-CE2 4.2Å; C515-L528 HydrophobicContact CB-CD1 3.67Å; C515-H531 VanDerWaalsContact SG-CD2 3.6Å |
| 516 | R | 90.3 | Very high | 88.5 | Confident | 242 Ų | 242 | 85.4 Ų | 85.4 | 91% | 0.913 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -20.7 | -179.9 | -67.5 | -176.1 | 178 | 177.9 | -2.1 | 114.2 | | |
| 517 | I | 90.4 | Very high | 88.6 | Confident | 101 Ų | 101 | 82.9 Ų | 82.9 | 52% | 0.518 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -36.8 | -173.9 | -58 | 171.2 | 0 | 0 | 0 | 112.1 | C515 V532 H535 | C515-I517 PolarHBondContact O-N 3.11Å; I517-V532 HydrophobicContact CD1-CG1 4.48Å; I517-H535 HydrophobicContact CD1-CB 3.55Å; I517-H535 HydrophobicContact CG2-CB 4.15Å |
| 518 | C | 91.1 | Very high | 89 | Confident | 58 Ų | 58 | 80.8 Ų | 80.8 | 39% | 0.392 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.2 | 14.2 | -177 | 68 | 0 | 0 | 0 | 0 | 114 | R520 H531 H535 | C518-R520 PolarHBondContact O-N 3.29Å; C518-H531 PolarHBondContact SG-NE2 2.98Å; C518-H535 PolarHBondContact SG-NE2 2.95Å; C518-H535 VanDerWaalsContact SG-NE2 3.43Å |
| 519 | L | 90.1 | Very high | 89.3 | Confident | 114 Ų | 114 | 79.8 Ų | 79.8 | 60% | 0.597 | 40% | 0.396 | S | S | * | . | | | trans | 54.7 | 9.3 | 178.5 | -56 | -178.4 | 0 | 0 | 0 | 116.2 | Q514 C515 | Q514-L519 WeakPolarHBondContact CG-O 3.49Å; Q514-L519 PolarHBondContact NE2-O 3.24Å; C515-L519 WeakPolarHBondContact O-CA 3.35Å; C515-L519 PolarHBondContact O-N 2.96Å |
| 520 | R | 89.8 | Confident | 89.5 | Confident | 168 Ų | 168 | 79.5 Ų | 79.5 | 63% | 0.634 | 39% | 0.388 | S | S | * | . | | | trans | -71.8 | 131.3 | -178.3 | -168 | 172.9 | -169.3 | 165.5 | 6.8 | 111.7 | C515 C518 F522 | C515-R520 PolarHBondContact N-O 3.3Å; C518-R520 PolarHBondContact O-N 3.29Å; R520-F522 HydrophobicContact CB-CE2 3.99Å; R520-F522 HydrophobicContact CB-CZ 4.43Å; R520-F522 HydrophobicContact CG-CE2 3.99Å; R520-F522 HydrophobicContact CG-CZ 4.07Å; R520-F522 VanDerWaalsContact O-CD2 3.29Å; R520-F522 WeakPolarHBondContact O-CD2 3.42Å; R520-F522 VanDerWaalsContact O-CE2 3.29Å; R520-F522 WeakPolarHBondContact O-CE2 3.47Å |
| 521 | N | 91.5 | Very high | 89.6 | Confident | 77 Ų | 77 | 75.9 Ų | 75.9 | 41% | 0.412 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 133.1 | -175.7 | -69.7 | -42 | 0 | 0 | 0 | 113.2 | K511 Q514 | K511-N521 HydrophobicContact CB-CB 3.73Å; K511-N521 HydrophobicContact CD-CB 4.41Å; Q514-N521 WeakPolarHBondContact CA-OD1 3.25Å; Q514-N521 WeakPolarHBondContact CB-OD1 3.4Å; Q514-N521 WeakPolarHBondContact CG-OD1 3.46Å |
| 522 | F | 89.4 | Confident | 89.7 | Confident | 37 Ų | 37 | 72.9 Ų | 72.9 | 16% | 0.162 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 147.2 | -178.8 | -63.7 | -94.1 | 0 | 0 | 0 | 111.9 | K511 F513 C515 R520 R524 H527 L528 H531 | K511-F522 CarbonylContact C-O 3.57Å; K511-F522 VanDerWaalsContact CA-O 3.27Å; K511-F522 WeakPolarHBondContact CA-O 3.04Å; F513-F522 HydrophobicContact CB-CB 4.29Å; F513-F522 WeakPolarHBondContact CB-O 3.36Å; F513-F522 PolarHBondContact N-O 3.16Å; F513-F522 VanDerWaalsContact N-O 3.09Å; F513-F522 PolarHBondContact O-N 3.21Å; C515-F522 HydrophobicContact CB-CE2 4.2Å; R520-F522 HydrophobicContact CB-CE2 3.99Å; R520-F522 HydrophobicContact CB-CZ 4.43Å; R520-F522 HydrophobicContact CG-CE2 3.99Å; R520-F522 HydrophobicContact CG-CZ 4.07Å; R520-F522 VanDerWaalsContact O-CD2 3.29Å; R520-F522 WeakPolarHBondContact O-CD2 3.42Å; R520-F522 VanDerWaalsContact O-CE2 3.29Å; R520-F522 WeakPolarHBondContact O-CE2 3.47Å; F522-R524 VanDerWaalsContact C-N 3.31Å; F522-R524 PolarHBondContact O-N 2.95Å; F522-H527 HydrophobicContact CD1-CB 4.14Å; F522-L528 HydrophobicContact CB-CB 4.35Å; F522-L528 HydrophobicContact CD2-CB 4.27Å; F522-L528 HydrophobicContact CD2-CD1 4.16Å; F522-L528 HydrophobicContact CE2-CD1 4.42Å; F522-L528 HydrophobicContact CG-CB 4.39Å; F522-H531 HydrophobicContact CE1-CB 4.12Å; F522-H531 HydrophobicContact CE2-CB 4.26Å; F522-H531 AromaticContact CE2-CD2 3.29Å; F522-H531 WeakPolarHBondContact CE2-CD2 3.31Å; F522-H531 AromaticContact CE2-CG 3.93Å; F522-H531 HydrophobicContact CZ-CB 3.72Å; F522-H531 AromaticContact CZ-CD2 3.23Å; F522-H531 WeakPolarHBondContact CZ-CD2 3.39Å; F522-H531 AromaticContact CZ-CG 3.42Å; F522-H531 VanDerWaalsContact CZ-CG 3.42Å; F522-H531 AromaticContact CZ-NE2 3.95Å |
| 523 | S | 87.9 | Confident | 89.9 | Confident | 36 Ų | 36 | 72.7 Ų | 72.7 | 25% | 0.252 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -80.4 | -8.2 | 177.5 | 56.7 | 0 | 0 | 0 | 0 | 114.1 | R505 | R505-S523 PolarHBondContact NE-O 3.32Å; R505-S523 PolarHBondContact NH1-O 3.18Å |
| 524 | R | 87.6 | Confident | 89.8 | Confident | 73 Ų | 73 | 74.1 Ų | 74.1 | 28% | 0.275 | 37% | 0.367 | S | S | . | . | | | trans | -145.1 | 141.3 | -177.5 | -64.8 | 169.3 | 52.7 | 161.4 | -5.8 | 112.1 | R502 F513 F522 D526 H527 L528 | R502-R524 HydrophobicContact CG-CG 4.31Å; F513-R524 VanDerWaalsContact CD2-CA 3.49Å; F522-R524 VanDerWaalsContact C-N 3.31Å; F522-R524 PolarHBondContact O-N 2.95Å; R524-D526 WeakPolarHBondContact CB-OD1 3.46Å; R524-D526 IonicContact CZ-OD1 3.22Å; R524-D526 VanDerWaalsContact CZ-OD1 3.3Å; R524-D526 IonicContact CZ-OD2 2.76Å; R524-D526 IonicContact NE-OD1 2.9Å; R524-D526 PolarHBondContact NE-OD1 3.41Å; R524-D526 IonicContact NE-OD2 2.73Å; R524-D526 IonicContact NH2-OD1 3.64Å; R524-D526 PolarHBondContact NH2-OD1 2.84Å; R524-D526 IonicContact NH2-OD2 3.73Å; R524-D526 PolarHBondContact NH2-OD2 2.84Å; R524-H527 HydrophobicContact CB-CB 4.31Å; R524-H527 PolarHBondContact NE-CE1 2.82Å; R524-H527 PolarHBondContact O-N 3.12Å; R524-L528 PolarHBondContact O-N 3.21Å |
| 525 | S | 88.6 | Confident | 89.5 | Confident | 63 Ų | 63 | 73.1 Ų | 73.1 | 44% | 0.441 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 177.6 | 46.6 | 0 | 0 | 0 | 0 | 112.7 | F513 H527 L528 T529 | F513-S525 VanDerWaalsContact CD2-N 3.31Å; F513-S525 VanDerWaalsContact CE2-N 3.35Å; S525-H527 PolarHBondContact O-N 3.03Å; S525-L528 WeakPolarHBondContact O-CB 3.49Å; S525-L528 PolarHBondContact O-N 3.48Å; S525-L528 VanDerWaalsContact O-N 3.12Å; S525-T529 PolarHBondContact O-N 2.88Å; S525-T529 PolarHBondContact O-OG1 3.23Å; S525-T529 VanDerWaalsContact O-OG1 3.1Å |
| 526 | D | 87.8 | Confident | 89.2 | Confident | 62 Ų | 62 | 76.5 Ų | 76.5 | 33% | 0.332 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.4 | -33.1 | 178.4 | 68.7 | -71.1 | 0 | 0 | 0 | 112.3 | R524 T530 | R524-D526 WeakPolarHBondContact CB-OD1 3.46Å; R524-D526 IonicContact CZ-OD1 3.22Å; R524-D526 VanDerWaalsContact CZ-OD1 3.3Å; R524-D526 IonicContact CZ-OD2 2.76Å; R524-D526 IonicContact NE-OD1 2.9Å; R524-D526 PolarHBondContact NE-OD1 3.41Å; R524-D526 IonicContact NE-OD2 2.73Å; R524-D526 IonicContact NH2-OD1 3.64Å; R524-D526 PolarHBondContact NH2-OD1 2.84Å; R524-D526 IonicContact NH2-OD2 3.73Å; R524-D526 PolarHBondContact NH2-OD2 2.84Å; D526-T530 WeakPolarHBondContact O-CG2 3.44Å; D526-T530 PolarHBondContact O-N 3.09Å; D526-T530 PolarHBondContact O-OG1 3.22Å |
| 527 | H | 89.3 | Confident | 89 | Confident | 58 Ų | 58 | 67 Ų | 67 | 27% | 0.269 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.1 | -43.1 | 175.1 | -65.1 | 5.1 | 0 | 0 | 0 | 111.1 | F522 R524 S525 T530 H531 | F522-H527 HydrophobicContact CD1-CB 4.14Å; R524-H527 HydrophobicContact CB-CB 4.31Å; R524-H527 PolarHBondContact NE-CE1 2.82Å; R524-H527 PolarHBondContact O-N 3.12Å; S525-H527 PolarHBondContact O-N 3.03Å; H527-T530 PolarHBondContact O-N 3.02Å; H527-T530 PolarHBondContact O-OG1 2.88Å; H527-H531 WeakPolarHBondContact O-CB 3.2Å; H527-H531 PolarHBondContact O-N 2.96Å |
| 528 | L | 91.9 | Very high | 88.8 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 16% | 0.157 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.4 | -49.3 | 171 | 170.1 | 60.4 | 0 | 0 | 0 | 111.4 | F513 Q514 C515 F522 R524 S525 T530 H531 V532 | F513-L528 HydrophobicContact CB-CB 4.14Å; F513-L528 HydrophobicContact CB-CD2 3.86Å; Q514-L528 WeakPolarHBondContact O-CD2 3.42Å; C515-L528 HydrophobicContact CB-CD1 3.67Å; F522-L528 HydrophobicContact CB-CB 4.35Å; F522-L528 HydrophobicContact CD2-CB 4.27Å; F522-L528 HydrophobicContact CD2-CD1 4.16Å; F522-L528 HydrophobicContact CE2-CD1 4.42Å; F522-L528 HydrophobicContact CG-CB 4.39Å; R524-L528 PolarHBondContact O-N 3.21Å; S525-L528 WeakPolarHBondContact O-CB 3.49Å; S525-L528 PolarHBondContact O-N 3.48Å; S525-L528 VanDerWaalsContact O-N 3.12Å; L528-T530 VanDerWaalsContact C-N 3.33Å; L528-T530 PolarHBondContact O-N 2.79Å; L528-H531 CarbonylContact O-C 3.39Å; L528-H531 WeakPolarHBondContact O-CA 3.44Å; L528-H531 WeakPolarHBondContact O-CB 3.46Å; L528-H531 PolarHBondContact O-N 3.28Å; L528-V532 HydrophobicContact CD1-CG2 3.93Å; L528-V532 HydrophobicContact CG-CG2 4.45Å; L528-V532 PolarHBondContact O-N 3.3Å |
| 529 | T | 89.9 | Confident | 88.6 | Confident | 78 Ų | 78 | 69.6 Ų | 69.6 | 48% | 0.479 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 178.3 | -52 | 0 | 0 | 0 | 0 | 111.8 | S525 H531 V532 | S525-T529 PolarHBondContact O-N 2.88Å; S525-T529 PolarHBondContact O-OG1 3.23Å; S525-T529 VanDerWaalsContact O-OG1 3.1Å; T529-H531 PolarHBondContact O-N 2.78Å; T529-V532 PolarHBondContact O-N 2.96Å |
| 530 | T | 88.7 | Confident | 88.5 | Confident | 30 Ų | 30 | 67.2 Ų | 67.2 | 18% | 0.184 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.2 | -20 | 175.6 | 59.9 | 0 | 0 | 0 | 0 | 113.8 | D526 H527 L528 R552 | D526-T530 WeakPolarHBondContact O-CG2 3.44Å; D526-T530 PolarHBondContact O-N 3.09Å; D526-T530 PolarHBondContact O-OG1 3.22Å; H527-T530 PolarHBondContact O-N 3.02Å; H527-T530 PolarHBondContact O-OG1 2.88Å; L528-T530 VanDerWaalsContact C-N 3.33Å; L528-T530 PolarHBondContact O-N 2.79Å; T530-R552 HydrophobicContact CG2-CG 3.7Å; T530-R552 PolarHBondContact OG1-NH1 2.85Å; T530-R552 VanDerWaalsContact OG1-NH1 3.15Å |
| 531 | H | 89.9 | Confident | 88.4 | Confident | 30 Ų | 30 | 62.4 Ų | 62.4 | 14% | 0.139 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -86.4 | -34.2 | 174.5 | 172.9 | 50.4 | 0 | 0 | 0 | 113.1 | C515 C518 F522 H527 L528 T529 R533 T534 H535 | C515-H531 VanDerWaalsContact SG-CD2 3.6Å; C518-H531 PolarHBondContact SG-NE2 2.98Å; F522-H531 HydrophobicContact CE1-CB 4.12Å; F522-H531 HydrophobicContact CE2-CB 4.26Å; F522-H531 AromaticContact CE2-CD2 3.29Å; F522-H531 WeakPolarHBondContact CE2-CD2 3.31Å; F522-H531 AromaticContact CE2-CG 3.93Å; F522-H531 HydrophobicContact CZ-CB 3.72Å; F522-H531 AromaticContact CZ-CD2 3.23Å; F522-H531 WeakPolarHBondContact CZ-CD2 3.39Å; F522-H531 AromaticContact CZ-CG 3.42Å; F522-H531 VanDerWaalsContact CZ-CG 3.42Å; F522-H531 AromaticContact CZ-NE2 3.95Å; H527-H531 WeakPolarHBondContact O-CB 3.2Å; H527-H531 PolarHBondContact O-N 2.96Å; L528-H531 CarbonylContact O-C 3.39Å; L528-H531 WeakPolarHBondContact O-CA 3.44Å; L528-H531 WeakPolarHBondContact O-CB 3.46Å; L528-H531 PolarHBondContact O-N 3.28Å; T529-H531 PolarHBondContact O-N 2.78Å; H531-R533 PolarHBondContact O-N 2.9Å; H531-T534 PolarHBondContact CE1-OG1 3.08Å; H531-T534 PolarHBondContact ND1-OG1 3.43Å; H531-T534 PolarHBondContact O-N 3.16Å; H531-T534 PolarHBondContact O-OG1 3.15Å; H531-H535 AromaticContact CE1-CD2 3.87Å; H531-H535 AromaticContact CE1-CE1 3.93Å; H531-H535 AromaticContact CE1-NE2 3.15Å; H531-H535 PolarHBondContact CE1-NE2 2.99Å; H531-H535 AromaticContact NE2-CD2 3.87Å; H531-H535 AromaticContact NE2-NE2 3.1Å; H531-H535 PolarHBondContact NE2-NE2 3.15Å; H531-H535 VanDerWaalsContact NE2-NE2 3.1Å |
| 532 | V | 89.3 | Confident | 88.4 | Confident | 50 Ų | 50 | 60.4 Ų | 60.4 | 30% | 0.303 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.2 | -36.2 | 172.8 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | I517 L528 T529 T534 H535 T536 | I517-V532 HydrophobicContact CD1-CG1 4.48Å; L528-V532 HydrophobicContact CD1-CG2 3.93Å; L528-V532 HydrophobicContact CG-CG2 4.45Å; L528-V532 PolarHBondContact O-N 3.3Å; T529-V532 PolarHBondContact O-N 2.96Å; V532-T534 PolarHBondContact O-N 2.76Å; V532-H535 WeakPolarHBondContact O-CB 3.3Å; V532-H535 PolarHBondContact O-N 3.47Å; V532-T536 HydrophobicContact CG1-CG2 4.38Å; V532-T536 PolarHBondContact O-N 2.84Å; V532-T536 VanDerWaalsContact O-N 3.07Å |
| 533 | R | 90.3 | Very high | 88.6 | Confident | 59 Ų | 59 | 58.8 Ų | 58.8 | 22% | 0.223 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.5 | -18.2 | 172 | -65.7 | -169.5 | 176 | 144.5 | 6.5 | 115.8 | H531 H535 G537 E538 A551 | H531-R533 PolarHBondContact O-N 2.9Å; R533-H535 VanDerWaalsContact C-N 3.28Å; R533-G537 CarbonylContact O-C 3.6Å; R533-G537 WeakPolarHBondContact O-CA 3.44Å; R533-G537 PolarHBondContact O-N 2.83Å; R533-G537 VanDerWaalsContact O-N 3.09Å; R533-E538 HydrophobicContact CB-CB 4.18Å; R533-E538 HydrophobicContact CG-CB 3.88Å; R533-E538 IonicContact NE-OE2 3.5Å; R533-E538 PolarHBondContact O-N 2.67Å; R533-A551 HydrophobicContact CB-CB 4.37Å; R533-A551 PolarHBondContact NH1-O 3.1Å; R533-A551 VanDerWaalsContact NH1-O 3.1Å |
| 534 | T | 86.7 | Confident | 88.7 | Confident | 93 Ų | 93 | 63.3 Ų | 63.3 | 57% | 0.571 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -78.4 | -16.4 | 171.6 | 69.7 | 0 | 0 | 0 | 0 | 112.3 | H531 V532 | H531-T534 PolarHBondContact CE1-OG1 3.08Å; H531-T534 PolarHBondContact ND1-OG1 3.43Å; H531-T534 PolarHBondContact O-N 3.16Å; H531-T534 PolarHBondContact O-OG1 3.15Å; V532-T534 PolarHBondContact O-N 2.76Å |
| 535 | H | 86.6 | Confident | 88.7 | Confident | 76 Ų | 76 | 64.8 Ų | 64.8 | 35% | 0.352 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -93.2 | -42.3 | 172.8 | -60.5 | -70.5 | 0 | 0 | 0 | 111.9 | I517 C518 H531 V532 R533 G537 | I517-H535 HydrophobicContact CD1-CB 3.55Å; I517-H535 HydrophobicContact CG2-CB 4.15Å; C518-H535 PolarHBondContact SG-NE2 2.95Å; C518-H535 VanDerWaalsContact SG-NE2 3.43Å; H531-H535 AromaticContact CE1-CD2 3.87Å; H531-H535 AromaticContact CE1-CE1 3.93Å; H531-H535 AromaticContact CE1-NE2 3.15Å; H531-H535 PolarHBondContact CE1-NE2 2.99Å; H531-H535 AromaticContact NE2-CD2 3.87Å; H531-H535 AromaticContact NE2-NE2 3.1Å; H531-H535 PolarHBondContact NE2-NE2 3.15Å; H531-H535 VanDerWaalsContact NE2-NE2 3.1Å; V532-H535 WeakPolarHBondContact O-CB 3.3Å; V532-H535 PolarHBondContact O-N 3.47Å; R533-H535 VanDerWaalsContact C-N 3.28Å; H535-G537 VanDerWaalsContact C-N 3.28Å; H535-G537 PolarHBondContact O-N 3.48Å |
| 536 | T | 86 | Confident | 88.8 | Confident | 72 Ų | 72 | 63.8 Ų | 63.8 | 44% | 0.442 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -80 | -6.4 | 177.4 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | V532 E538 | V532-T536 HydrophobicContact CG1-CG2 4.38Å; V532-T536 PolarHBondContact O-N 2.84Å; V532-T536 VanDerWaalsContact O-N 3.07Å; T536-E538 WeakPolarHBondContact CB-OE1 3.4Å; T536-E538 PolarHBondContact O-N 3.12Å; T536-E538 VanDerWaalsContact O-N 3.1Å; T536-E538 VanDerWaalsContact OG1-CD 3.27Å; T536-E538 WeakPolarHBondContact OG1-CG 3.44Å; T536-E538 PolarHBondContact OG1-OE1 2.7Å |
| 537 | G | 85.3 | Confident | 88.8 | Confident | 43 Ų | 43 | 63.2 Ų | 63.2 | 44% | 0.443 | 37% | 0.365 | S | S | . | . | | | trans | 70.5 | -2.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R533 H535 K539 | R533-G537 CarbonylContact O-C 3.6Å; R533-G537 WeakPolarHBondContact O-CA 3.44Å; R533-G537 PolarHBondContact O-N 2.83Å; R533-G537 VanDerWaalsContact O-N 3.09Å; H535-G537 VanDerWaalsContact C-N 3.28Å; H535-G537 PolarHBondContact O-N 3.48Å; G537-K539 WeakPolarHBondContact O-CG 3.42Å; G537-K539 PolarHBondContact O-N 2.88Å |
| 538 | E | 87.2 | Confident | 88.9 | Confident | 93 Ų | 93 | 68.1 Ų | 68.1 | 44% | 0.435 | 38% | 0.381 | S | S | . | . | | | trans | -55.1 | 116.2 | -174.9 | -82.7 | 169.2 | -117.8 | 0 | 0 | 113.6 | R533 T536 P540 | R533-E538 HydrophobicContact CB-CB 4.18Å; R533-E538 HydrophobicContact CG-CB 3.88Å; R533-E538 IonicContact NE-OE2 3.5Å; R533-E538 PolarHBondContact O-N 2.67Å; T536-E538 WeakPolarHBondContact CB-OE1 3.4Å; T536-E538 PolarHBondContact O-N 3.12Å; T536-E538 VanDerWaalsContact O-N 3.1Å; T536-E538 VanDerWaalsContact OG1-CD 3.27Å; T536-E538 WeakPolarHBondContact OG1-CG 3.44Å; T536-E538 PolarHBondContact OG1-OE1 2.7Å; E538-P540 VanDerWaalsContact C-CD 3.49Å; E538-P540 VanDerWaalsContact O-CD 3.32Å; E538-P540 WeakPolarHBondContact O-CD 3.43Å |
| 539 | K | 87.6 | Confident | 88.8 | Confident | 120 Ų | 120 | 74.5 Ų | 74.5 | 52% | 0.522 | 40% | 0.403 | S | S | . | . | | | trans | -120.4 | 77 | 174.9 | -67.1 | 157.1 | -170.3 | 168.4 | 0 | 109.9 | G537 F541 R549 F550 | G537-K539 WeakPolarHBondContact O-CG 3.42Å; G537-K539 PolarHBondContact O-N 2.88Å; K539-F541 VanDerWaalsContact C-N 3.3Å; K539-F541 PolarHBondContact O-N 2.76Å; K539-R549 HydrophobicContact CB-CB 3.5Å; K539-R549 VanDerWaalsContact CB-CB 3.5Å; K539-R549 WeakPolarHBondContact O-CB 3.41Å; K539-R549 PolarHBondContact O-NE 3.27Å; K539-F550 CarbonylContact C-O 3.58Å; K539-F550 WeakPolarHBondContact CA-O 3.28Å |
| 540 | P | 86.8 | Confident | 88.8 | Confident | 64 Ų | 64 | 72.9 Ų | 72.9 | 42% | 0.416 | 39% | 0.389 | S | S | . | . | | | trans | -72 | -20.1 | -175.7 | 27.8 | -34.4 | 0 | 0 | 0 | 113.5 | E538 A542 | E538-P540 VanDerWaalsContact C-CD 3.49Å; E538-P540 VanDerWaalsContact O-CD 3.32Å; E538-P540 WeakPolarHBondContact O-CD 3.43Å; P540-A542 PolarHBondContact O-N 2.73Å |
| 541 | F | 89.3 | Confident | 88.7 | Confident | 67 Ų | 67 | 72.3 Ų | 72.3 | 29% | 0.294 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 83.8 | -175.5 | -55.3 | -70.3 | 0 | 0 | 0 | 111.8 | K539 F550 A551 K556 | K539-F541 VanDerWaalsContact C-N 3.3Å; K539-F541 PolarHBondContact O-N 2.76Å; F541-F550 HydrophobicContact CB-CB 4.36Å; F541-F550 PolarHBondContact N-O 2.81Å; F541-F550 VanDerWaalsContact N-O 3.12Å; F541-F550 PolarHBondContact O-N 3.45Å; F541-A551 WeakPolarHBondContact CE2-O 3.32Å; F541-K556 HydrophobicContact CB-CB 4.17Å; F541-K556 HydrophobicContact CB-CD 4.29Å |
| 542 | A | 90.4 | Very high | 88.6 | Confident | 35 Ų | 35 | 73.8 Ų | 73.8 | 29% | 0.289 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 143.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P540 R548 R549 K556 | P540-A542 PolarHBondContact O-N 2.73Å; A542-R548 CarbonylContact C-O 3.6Å; A542-R549 HydrophobicContact CB-CG 4.19Å; A542-K556 VanDerWaalsContact O-CD 3.23Å; A542-K556 WeakPolarHBondContact O-CD 3.36Å; A542-K556 WeakPolarHBondContact O-CE 3.43Å; A542-K556 PolarHBondContact O-NZ 3.28Å |
| 543 | C | 93.3 | Very high | 88.6 | Confident | 2 Ų | 2 | 74 Ų | 74 | 1% | 0.014 | 40% | 0.396 | C | S | . | . | | | trans | -90.8 | 127.9 | 172.6 | -173.6 | 0 | 0 | 0 | 0 | 110.9 | V545 C546 G547 R548 F550 | C543-V545 PolarHBondContact O-N 3.18Å; C543-V545 VanDerWaalsContact O-N 3.14Å; C543-C546 PolarHBondContact O-N 3.09Å; C543-G547 WeakPolarHBondContact O-CA 3.46Å; C543-G547 PolarHBondContact O-N 3.19Å; C543-R548 WeakPolarHBondContact CB-O 3.41Å; C543-R548 PolarHBondContact N-O 3.06Å; C543-F550 HydrophobicContact CB-CE2 4.09Å |
| 544 | D | 89.9 | Confident | 88.6 | Confident | 132 Ų | 132 | 75 Ų | 75 | 71% | 0.706 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -10.7 | -164 | -33 | -79.4 | 0 | 0 | 0 | 113.4 | K556 | D544-K556 IonicContact OD1-NZ 2.67Å; D544-K556 PolarHBondContact OD1-NZ 3.11Å; D544-K556 WeakPolarHBondContact OD2-CE 3.43Å; D544-K556 IonicContact OD2-NZ 2.81Å; D544-K556 PolarHBondContact OD2-NZ 2.71Å |
| 545 | V | 88.6 | Confident | 88.7 | Confident | 103 Ų | 103 | 73.1 Ų | 73.1 | 62% | 0.624 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -16.6 | -178.5 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | C543 H563 | C543-V545 PolarHBondContact O-N 3.18Å; C543-V545 VanDerWaalsContact O-N 3.14Å; V545-H563 HydrophobicContact CB-CB 4.36Å; V545-H563 HydrophobicContact CG1-CB 4.04Å; V545-H563 HydrophobicContact CG2-CB 4.39Å |
| 546 | C | 91.1 | Very high | 89.1 | Confident | 42 Ų | 42 | 71.8 Ų | 71.8 | 28% | 0.284 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -151.3 | 9.1 | -168 | 70.9 | 0 | 0 | 0 | 0 | 115.3 | C543 R548 H559 H563 | C543-C546 PolarHBondContact O-N 3.09Å; C546-R548 PolarHBondContact O-N 3.39Å; C546-H559 PolarHBondContact SG-NE2 3.28Å; C546-H563 WeakPolarHBondContact CB-NE2 3.44Å |
| 547 | G | 87.3 | Confident | 89.4 | Confident | 51 Ų | 51 | 75 Ų | 75 | 53% | 0.526 | 39% | 0.391 | S | S | . | . | | | trans | 67.8 | -22.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | C543 R549 | C543-G547 WeakPolarHBondContact O-CA 3.46Å; C543-G547 PolarHBondContact O-N 3.19Å; G547-R549 VanDerWaalsContact O-CG 3.29Å; G547-R549 WeakPolarHBondContact O-CG 3.47Å; G547-R549 PolarHBondContact O-N 3.49Å |
| 548 | R | 89.9 | Confident | 89.7 | Confident | 160 Ų | 160 | 81.5 Ų | 81.5 | 60% | 0.604 | 40% | 0.402 | S | S | * | . | | | trans | -53.3 | 124.7 | -171.4 | -64.6 | -173.6 | -169 | -152.4 | 1.5 | 111.8 | A542 C543 C546 F550 | A542-R548 CarbonylContact C-O 3.6Å; C543-R548 WeakPolarHBondContact CB-O 3.41Å; C543-R548 PolarHBondContact N-O 3.06Å; C546-R548 PolarHBondContact O-N 3.39Å; R548-F550 HydrophobicContact CB-CE2 3.95Å; R548-F550 HydrophobicContact CB-CZ 4.11Å; R548-F550 WeakPolarHBondContact O-CD2 3.11Å; R548-F550 WeakPolarHBondContact O-CE2 3.23Å |
| 549 | R | 91.3 | Very high | 89.9 | Confident | 165 Ų | 165 | 78.4 Ų | 78.4 | 62% | 0.623 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 135 | -173.3 | -48.3 | -178.1 | 84.1 | 126.8 | 0.9 | 111.4 | K539 A542 G547 | K539-R549 HydrophobicContact CB-CB 3.5Å; K539-R549 VanDerWaalsContact CB-CB 3.5Å; K539-R549 WeakPolarHBondContact O-CB 3.41Å; K539-R549 PolarHBondContact O-NE 3.27Å; A542-R549 HydrophobicContact CB-CG 4.19Å; G547-R549 VanDerWaalsContact O-CG 3.29Å; G547-R549 WeakPolarHBondContact O-CG 3.47Å; G547-R549 PolarHBondContact O-N 3.49Å |
| 550 | F | 88.9 | Confident | 90.1 | Very high | 43 Ų | 43 | 74.3 Ų | 74.3 | 19% | 0.189 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 150.6 | -177.3 | -61.3 | -85.2 | 0 | 0 | 0 | 111.9 | K539 F541 C543 R548 R552 E555 K556 H559 | K539-F550 CarbonylContact C-O 3.58Å; K539-F550 WeakPolarHBondContact CA-O 3.28Å; F541-F550 HydrophobicContact CB-CB 4.36Å; F541-F550 PolarHBondContact N-O 2.81Å; F541-F550 VanDerWaalsContact N-O 3.12Å; F541-F550 PolarHBondContact O-N 3.45Å; C543-F550 HydrophobicContact CB-CE2 4.09Å; R548-F550 HydrophobicContact CB-CE2 3.95Å; R548-F550 HydrophobicContact CB-CZ 4.11Å; R548-F550 WeakPolarHBondContact O-CD2 3.11Å; R548-F550 WeakPolarHBondContact O-CE2 3.23Å; F550-R552 VanDerWaalsContact C-N 3.33Å; F550-E555 HydrophobicContact CB-CB 3.95Å; F550-E555 HydrophobicContact CD1-CB 3.75Å; F550-E555 HydrophobicContact CG-CB 4.04Å; F550-K556 HydrophobicContact CD2-CB 4.17Å; F550-H559 HydrophobicContact CE1-CB 4.25Å; F550-H559 HydrophobicContact CE2-CB 3.94Å; F550-H559 AromaticContact CE2-CD2 3.54Å; F550-H559 AromaticContact CE2-CG 3.9Å; F550-H559 HydrophobicContact CZ-CB 3.59Å; F550-H559 AromaticContact CZ-CD2 3.44Å; F550-H559 VanDerWaalsContact CZ-CD2 3.44Å; F550-H559 WeakPolarHBondContact CZ-CD2 3.44Å; F550-H559 AromaticContact CZ-CG 3.45Å; F550-H559 VanDerWaalsContact CZ-CG 3.45Å |
| 551 | A | 87.6 | Confident | 90.4 | Very high | 18 Ų | 18 | 77.8 Ų | 77.8 | 15% | 0.149 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -75 | -25.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R533 F541 E555 | R533-A551 HydrophobicContact CB-CB 4.37Å; R533-A551 PolarHBondContact NH1-O 3.1Å; R533-A551 VanDerWaalsContact NH1-O 3.1Å; F541-A551 WeakPolarHBondContact CE2-O 3.32Å; A551-E555 PolarHBondContact N-OE2 2.92Å |
| 552 | R | 87.5 | Confident | 90.6 | Very high | 62 Ų | 62 | 77.7 Ų | 77.7 | 23% | 0.234 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -127.2 | 151.8 | -177.7 | -46.2 | 174.8 | 42.1 | 128.9 | -16.7 | 113.6 | T530 F550 D554 E555 K556 | T530-R552 HydrophobicContact CG2-CG 3.7Å; T530-R552 PolarHBondContact OG1-NH1 2.85Å; T530-R552 VanDerWaalsContact OG1-NH1 3.15Å; F550-R552 VanDerWaalsContact C-N 3.33Å; R552-D554 WeakPolarHBondContact CB-OD1 3.29Å; R552-D554 IonicContact CZ-OD1 3.52Å; R552-D554 IonicContact CZ-OD2 3.48Å; R552-D554 IonicContact NE-OD1 3.57Å; R552-D554 PolarHBondContact NE-OD1 2.87Å; R552-D554 IonicContact NE-OD2 2.96Å; R552-D554 IonicContact NH2-OD1 3.3Å; R552-D554 PolarHBondContact NH2-OD1 2.69Å; R552-D554 IonicContact NH2-OD2 2.78Å; R552-D554 PolarHBondContact NH2-OD2 3.05Å; R552-E555 HydrophobicContact CB-CB 4.43Å; R552-E555 HydrophobicContact CB-CG 3.97Å; R552-E555 WeakPolarHBondContact CB-OE2 3.48Å; R552-E555 WeakPolarHBondContact CD-OE1 3.15Å; R552-E555 HydrophobicContact CG-CG 4.47Å; R552-E555 PolarHBondContact N-OE2 2.85Å; R552-E555 WeakPolarHBondContact O-CB 3.29Å; R552-E555 PolarHBondContact O-N 2.98Å; R552-K556 PolarHBondContact O-N 3.11Å |
| 553 | S | 89.4 | Confident | 90.6 | Very high | 54 Ų | 54 | 78 Ų | 78 | 38% | 0.378 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -79.5 | -24.1 | -178.1 | 63 | 0 | 0 | 0 | 0 | 113.6 | E555 K557 | S553-E555 VanDerWaalsContact C-N 3.34Å; S553-K557 WeakPolarHBondContact O-CB 3.4Å; S553-K557 VanDerWaalsContact O-CG 3.25Å; S553-K557 WeakPolarHBondContact O-CG 3.17Å; S553-K557 PolarHBondContact O-N 2.89Å |
| 554 | D | 89.9 | Confident | 90.4 | Very high | 79 Ų | 79 | 83.4 Ų | 83.4 | 42% | 0.422 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -72.1 | -28 | 170.7 | 58.6 | -30.4 | 0 | 0 | 0 | 112.2 | R552 R558 | R552-D554 WeakPolarHBondContact CB-OD1 3.29Å; R552-D554 IonicContact CZ-OD1 3.52Å; R552-D554 IonicContact CZ-OD2 3.48Å; R552-D554 IonicContact NE-OD1 3.57Å; R552-D554 PolarHBondContact NE-OD1 2.87Å; R552-D554 IonicContact NE-OD2 2.96Å; R552-D554 IonicContact NH2-OD1 3.3Å; R552-D554 PolarHBondContact NH2-OD1 2.69Å; R552-D554 IonicContact NH2-OD2 2.78Å; R552-D554 PolarHBondContact NH2-OD2 3.05Å; D554-R558 VanDerWaalsContact O-CB 3.28Å; D554-R558 WeakPolarHBondContact O-CB 3.29Å; D554-R558 PolarHBondContact O-N 3.41Å |
| 555 | E | 89.4 | Confident | 90.5 | Very high | 55 Ų | 55 | 84.8 Ų | 84.8 | 26% | 0.257 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.7 | -51.1 | 169.3 | -64.4 | 165.6 | 163.2 | 0 | 0 | 111.2 | F550 A551 R552 S553 K557 R558 H559 | F550-E555 HydrophobicContact CB-CB 3.95Å; F550-E555 HydrophobicContact CD1-CB 3.75Å; F550-E555 HydrophobicContact CG-CB 4.04Å; A551-E555 PolarHBondContact N-OE2 2.92Å; R552-E555 HydrophobicContact CB-CB 4.43Å; R552-E555 HydrophobicContact CB-CG 3.97Å; R552-E555 WeakPolarHBondContact CB-OE2 3.48Å; R552-E555 WeakPolarHBondContact CD-OE1 3.15Å; R552-E555 HydrophobicContact CG-CG 4.47Å; R552-E555 PolarHBondContact N-OE2 2.85Å; R552-E555 WeakPolarHBondContact O-CB 3.29Å; R552-E555 PolarHBondContact O-N 2.98Å; S553-E555 VanDerWaalsContact C-N 3.34Å; E555-K557 VanDerWaalsContact C-N 3.31Å; E555-K557 PolarHBondContact O-N 3.42Å; E555-R558 PolarHBondContact O-N 3.31Å; E555-H559 WeakPolarHBondContact O-CB 3.27Å; E555-H559 PolarHBondContact O-N 2.85Å |
| 556 | K | 94.1 | Very high | 90.5 | Very high | 47 Ų | 47 | 84.8 Ų | 84.8 | 20% | 0.204 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -52 | -49.1 | 171.5 | 176.4 | 179 | 175.6 | 162.1 | 0 | 111.3 | F541 A542 D544 F550 R552 R558 H559 S560 | F541-K556 HydrophobicContact CB-CB 4.17Å; F541-K556 HydrophobicContact CB-CD 4.29Å; A542-K556 VanDerWaalsContact O-CD 3.23Å; A542-K556 WeakPolarHBondContact O-CD 3.36Å; A542-K556 WeakPolarHBondContact O-CE 3.43Å; A542-K556 PolarHBondContact O-NZ 3.28Å; D544-K556 IonicContact OD1-NZ 2.67Å; D544-K556 PolarHBondContact OD1-NZ 3.11Å; D544-K556 WeakPolarHBondContact OD2-CE 3.43Å; D544-K556 IonicContact OD2-NZ 2.81Å; D544-K556 PolarHBondContact OD2-NZ 2.71Å; F550-K556 HydrophobicContact CD2-CB 4.17Å; R552-K556 PolarHBondContact O-N 3.11Å; K556-R558 VanDerWaalsContact C-N 3.28Å; K556-R558 PolarHBondContact O-N 2.85Å; K556-H559 PolarHBondContact O-N 3.35Å; K556-S560 PolarHBondContact O-N 3.26Å; K556-S560 PolarHBondContact O-OG 2.85Å |
| 557 | K | 91.8 | Very high | 90.5 | Very high | 139 Ų | 139 | 87.5 Ų | 87.5 | 60% | 0.604 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -67 | -22.4 | 179.5 | -73.4 | 172.5 | 179.7 | -179.1 | 0 | 114.3 | S553 E555 K561 | S553-K557 WeakPolarHBondContact O-CB 3.4Å; S553-K557 VanDerWaalsContact O-CG 3.25Å; S553-K557 WeakPolarHBondContact O-CG 3.17Å; S553-K557 PolarHBondContact O-N 2.89Å; E555-K557 VanDerWaalsContact C-N 3.31Å; E555-K557 PolarHBondContact O-N 3.42Å; K557-K561 WeakPolarHBondContact O-CG 3.5Å |
| 558 | R | 91.8 | Very high | 90.6 | Very high | 180 Ų | 180 | 87.5 Ų | 87.5 | 68% | 0.679 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -82.8 | -35.7 | 172 | 179.6 | 168.6 | 57.7 | 113.8 | -2 | 111.2 | D554 E555 K556 | D554-R558 VanDerWaalsContact O-CB 3.28Å; D554-R558 WeakPolarHBondContact O-CB 3.29Å; D554-R558 PolarHBondContact O-N 3.41Å; E555-R558 PolarHBondContact O-N 3.31Å; K556-R558 VanDerWaalsContact C-N 3.28Å; K556-R558 PolarHBondContact O-N 2.85Å |
| 559 | H | 92.6 | Very high | 90.5 | Very high | 29 Ų | 29 | 87.5 Ų | 87.5 | 13% | 0.134 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -73.4 | -41.4 | 177.2 | -175.4 | 57.5 | 0 | 0 | 0 | 112.9 | C546 F550 E555 K556 K561 V562 H563 | C546-H559 PolarHBondContact SG-NE2 3.28Å; F550-H559 HydrophobicContact CE1-CB 4.25Å; F550-H559 HydrophobicContact CE2-CB 3.94Å; F550-H559 AromaticContact CE2-CD2 3.54Å; F550-H559 AromaticContact CE2-CG 3.9Å; F550-H559 HydrophobicContact CZ-CB 3.59Å; F550-H559 AromaticContact CZ-CD2 3.44Å; F550-H559 VanDerWaalsContact CZ-CD2 3.44Å; F550-H559 WeakPolarHBondContact CZ-CD2 3.44Å; F550-H559 AromaticContact CZ-CG 3.45Å; F550-H559 VanDerWaalsContact CZ-CG 3.45Å; E555-H559 WeakPolarHBondContact O-CB 3.27Å; E555-H559 PolarHBondContact O-N 2.85Å; K556-H559 PolarHBondContact O-N 3.35Å; H559-K561 PolarHBondContact O-N 3.23Å; H559-K561 VanDerWaalsContact O-N 3.16Å; H559-V562 WeakPolarHBondContact O-CA 3.1Å; H559-V562 WeakPolarHBondContact O-CB 3.45Å; H559-V562 WeakPolarHBondContact O-CG2 3.19Å; H559-V562 PolarHBondContact O-N 3.36Å; H559-H563 AromaticContact NE2-NE2 3.94Å |
| 560 | S | 91.3 | Very high | 90.3 | Very high | 34 Ų | 34 | 82 Ų | 82 | 24% | 0.238 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.2 | -25.1 | 176.8 | 64.9 | 0 | 0 | 0 | 0 | 113.3 | K556 V562 H563 L564 | K556-S560 PolarHBondContact O-N 3.26Å; K556-S560 PolarHBondContact O-OG 2.85Å; S560-V562 PolarHBondContact O-N 3.45Å; S560-H563 PolarHBondContact O-N 2.82Å; S560-L564 WeakPolarHBondContact O-CG 3.33Å; S560-L564 PolarHBondContact O-N 3.13Å |
| 561 | K | 93.2 | Very high | 90.2 | Very high | 136 Ų | 136 | 82.3 Ų | 82.3 | 59% | 0.591 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -67.9 | -17.7 | 169.5 | -70.3 | 178.6 | -178.4 | -173.1 | 0 | 114.1 | K557 H559 K565 | K557-K561 WeakPolarHBondContact O-CG 3.5Å; H559-K561 PolarHBondContact O-N 3.23Å; H559-K561 VanDerWaalsContact O-N 3.16Å; K561-K565 VanDerWaalsContact O-CG 3.31Å; K561-K565 WeakPolarHBondContact O-CG 3.43Å; K561-K565 PolarHBondContact O-N 3.06Å |
| 562 | V | 92.7 | Very high | 90.2 | Very high | 65 Ų | 65 | 88 Ų | 88 | 39% | 0.394 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -73.3 | -48.1 | 169.2 | -174.1 | 0 | 0 | 0 | 0 | 109.1 | H559 S560 L564 K565 Q566 | H559-V562 WeakPolarHBondContact O-CA 3.1Å; H559-V562 WeakPolarHBondContact O-CB 3.45Å; H559-V562 WeakPolarHBondContact O-CG2 3.19Å; H559-V562 PolarHBondContact O-N 3.36Å; S560-V562 PolarHBondContact O-N 3.45Å; V562-L564 PolarHBondContact O-N 2.9Å; V562-K565 CarbonylContact O-C 3.57Å; V562-K565 WeakPolarHBondContact O-CB 3.29Å; V562-K565 PolarHBondContact O-N 3.16Å; V562-K565 VanDerWaalsContact O-N 3.11Å; V562-Q566 HydrophobicContact CG1-CG 4.42Å; V562-Q566 WeakPolarHBondContact O-CG 3.47Å; V562-Q566 PolarHBondContact O-N 3.46Å |
| 563 | H | 90.3 | Very high | 90 | Very high | 41 Ų | 41 | 93 Ų | 93 | 19% | 0.19 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 175.8 | -61 | -49.3 | 0 | 0 | 0 | 112.9 | V545 C546 H559 S560 K565 Q566 K567 | V545-H563 HydrophobicContact CB-CB 4.36Å; V545-H563 HydrophobicContact CG1-CB 4.04Å; V545-H563 HydrophobicContact CG2-CB 4.39Å; C546-H563 WeakPolarHBondContact CB-NE2 3.44Å; H559-H563 AromaticContact NE2-NE2 3.94Å; S560-H563 PolarHBondContact O-N 2.82Å; H563-K565 VanDerWaalsContact C-N 3.28Å; H563-K565 PolarHBondContact O-N 3.29Å; H563-Q566 PolarHBondContact CE1-OE1 3.21Å; H563-Q566 PolarHBondContact ND1-OE1 2.87Å; H563-Q566 PolarHBondContact O-N 2.93Å; H563-Q566 VanDerWaalsContact O-N 3.16Å; H563-K567 WeakPolarHBondContact O-CB 3.33Å; H563-K567 PolarHBondContact O-N 3.34Å |
| 564 | L | 89.5 | Confident | 89.4 | Confident | 117 Ų | 117 | 92.6 Ų | 92.6 | 61% | 0.613 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.6 | -37.3 | 173.9 | -72.7 | 164.2 | 0 | 0 | 0 | 112.5 | S560 V562 A568 | S560-L564 WeakPolarHBondContact O-CG 3.33Å; S560-L564 PolarHBondContact O-N 3.13Å; V562-L564 PolarHBondContact O-N 2.9Å; L564-A568 WeakPolarHBondContact O-CB 3.42Å; L564-A568 PolarHBondContact O-N 2.93Å |
| 565 | K | 91.6 | Very high | 88.9 | Confident | 160 Ų | 160 | 94.1 Ų | 94.1 | 70% | 0.696 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -72.6 | -37.2 | 173.7 | -76.7 | 179.4 | 173.3 | -164.7 | 0 | 113 | K561 V562 H563 A568 R569 | K561-K565 VanDerWaalsContact O-CG 3.31Å; K561-K565 WeakPolarHBondContact O-CG 3.43Å; K561-K565 PolarHBondContact O-N 3.06Å; V562-K565 CarbonylContact O-C 3.57Å; V562-K565 WeakPolarHBondContact O-CB 3.29Å; V562-K565 PolarHBondContact O-N 3.16Å; V562-K565 VanDerWaalsContact O-N 3.11Å; H563-K565 VanDerWaalsContact C-N 3.28Å; H563-K565 PolarHBondContact O-N 3.29Å; K565-A568 PolarHBondContact O-N 3.25Å; K565-R569 WeakPolarHBondContact O-CB 3.35Å; K565-R569 PolarHBondContact O-N 3.39Å |
| 566 | Q | 90.3 | Very high | 88 | Confident | 104 Ų | 104 | 94.9 Ų | 94.9 | 49% | 0.486 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 176.4 | -74.2 | 170.7 | -41 | 0 | 0 | 110.7 | V562 H563 R569 A570 | V562-Q566 HydrophobicContact CG1-CG 4.42Å; V562-Q566 WeakPolarHBondContact O-CG 3.47Å; V562-Q566 PolarHBondContact O-N 3.46Å; H563-Q566 PolarHBondContact CE1-OE1 3.21Å; H563-Q566 PolarHBondContact ND1-OE1 2.87Å; H563-Q566 PolarHBondContact O-N 2.93Å; H563-Q566 VanDerWaalsContact O-N 3.16Å; Q566-R569 PolarHBondContact O-N 3.38Å; Q566-A570 WeakPolarHBondContact O-CB 3.43Å; Q566-A570 PolarHBondContact O-N 2.82Å |
| 567 | K | 89.4 | Confident | 86.9 | Confident | 98 Ų | 98 | 98.6 Ų | 98.6 | 43% | 0.426 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.6 | -49.7 | 171.7 | 175.4 | 161.3 | 177.7 | 161.8 | 0 | 111.4 | H563 R569 A570 E571 F586 | H563-K567 WeakPolarHBondContact O-CB 3.33Å; H563-K567 PolarHBondContact O-N 3.34Å; K567-R569 VanDerWaalsContact C-N 3.32Å; K567-R569 PolarHBondContact O-N 2.79Å; K567-A570 WeakPolarHBondContact O-CB 3.35Å; K567-A570 PolarHBondContact O-N 2.9Å; K567-A570 VanDerWaalsContact O-N 3.09Å; K567-E571 WeakPolarHBondContact CE-OE1 3.5Å; K567-E571 HydrophobicContact CG-CG 4.37Å; K567-E571 WeakPolarHBondContact CG-OE1 3.42Å; K567-E571 WeakPolarHBondContact O-CG 3.35Å; K567-E571 PolarHBondContact O-N 3.25Å; K567-F586 HydrophobicContact CD-CZ 4.36Å |
| 568 | A | 89.8 | Confident | 85.5 | Confident | 52 Ų | 52 | 93.3 Ų | 93.3 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.8 | -41.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L564 K565 E571 E572 | L564-A568 WeakPolarHBondContact O-CB 3.42Å; L564-A568 PolarHBondContact O-N 2.93Å; K565-A568 PolarHBondContact O-N 3.25Å; A568-E571 PolarHBondContact O-N 2.96Å; A568-E572 VanDerWaalsContact O-CB 3.3Å; A568-E572 WeakPolarHBondContact O-CB 3.36Å; A568-E572 PolarHBondContact O-N 2.85Å |
| 569 | R | 87.8 | Confident | 83.8 | Confident | 160 Ų | 160 | 88.3 Ų | 88.3 | 60% | 0.604 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -70.1 | -30.7 | 176.1 | -168.8 | -179.4 | -175.9 | -164.3 | 1.4 | 113 | K565 Q566 K567 R573 | K565-R569 WeakPolarHBondContact O-CB 3.35Å; K565-R569 PolarHBondContact O-N 3.39Å; Q566-R569 PolarHBondContact O-N 3.38Å; K567-R569 VanDerWaalsContact C-N 3.32Å; K567-R569 PolarHBondContact O-N 2.79Å; R569-R573 WeakPolarHBondContact O-CB 3.21Å; R569-R573 WeakPolarHBondContact O-CG 3.29Å; R569-R573 PolarHBondContact O-N 3.28Å |
| 570 | A | 87.1 | Confident | 82 | Confident | 48 Ų | 48 | 92.4 Ų | 92.4 | 40% | 0.397 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -71.2 | -46.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q566 K567 E572 R573 L574 | Q566-A570 WeakPolarHBondContact O-CB 3.43Å; Q566-A570 PolarHBondContact O-N 2.82Å; K567-A570 WeakPolarHBondContact O-CB 3.35Å; K567-A570 PolarHBondContact O-N 2.9Å; K567-A570 VanDerWaalsContact O-N 3.09Å; A570-E572 VanDerWaalsContact C-N 3.32Å; A570-E572 PolarHBondContact O-N 3.14Å; A570-R573 PolarHBondContact O-N 3.45Å; A570-L574 WeakPolarHBondContact O-CG 3.41Å; A570-L574 PolarHBondContact O-N 2.84Å |
| 571 | E | 87.3 | Confident | 80.5 | Confident | 51 Ų | 51 | 96 Ų | 96 | 24% | 0.238 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -58.6 | -41.6 | 172.4 | -71.3 | 174.9 | -155.3 | 0 | 0 | 112.3 | K567 A568 L574 K575 F586 | K567-E571 WeakPolarHBondContact CE-OE1 3.5Å; K567-E571 HydrophobicContact CG-CG 4.37Å; K567-E571 WeakPolarHBondContact CG-OE1 3.42Å; K567-E571 WeakPolarHBondContact O-CG 3.35Å; K567-E571 PolarHBondContact O-N 3.25Å; A568-E571 PolarHBondContact O-N 2.96Å; E571-L574 PolarHBondContact O-N 3.15Å; E571-K575 WeakPolarHBondContact O-CB 3.3Å; E571-K575 WeakPolarHBondContact O-CD 3.45Å; E571-K575 WeakPolarHBondContact O-CG 3.44Å; E571-K575 PolarHBondContact O-N 2.86Å; E571-K575 IonicContact OE2-NZ 3.47Å; E571-K575 PolarHBondContact OE2-NZ 3.18Å; E571-F586 HydrophobicContact CG-CD2 4.33Å; E571-F586 HydrophobicContact CG-CE2 4Å |
| 572 | E | 87 | Confident | 78.8 | Confident | 136 Ų | 136 | 95.6 Ų | 95.6 | 64% | 0.636 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.3 | -41.4 | 175.5 | -174.5 | 176.3 | -153.7 | 0 | 0 | 111.9 | A568 A570 K575 G576 | A568-E572 VanDerWaalsContact O-CB 3.3Å; A568-E572 WeakPolarHBondContact O-CB 3.36Å; A568-E572 PolarHBondContact O-N 2.85Å; A570-E572 VanDerWaalsContact C-N 3.32Å; A570-E572 PolarHBondContact O-N 3.14Å; E572-K575 PolarHBondContact O-N 3.32Å; E572-G576 PolarHBondContact O-N 3.03Å |
| 573 | R | 83.3 | Confident | 77.1 | Confident | 167 Ų | 167 | 95.8 Ų | 95.8 | 63% | 0.63 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64 | -43.6 | 172.4 | -81.7 | 178.1 | 145.3 | -176 | -10.1 | 112.6 | R569 A570 K575 G576 L577 | R569-R573 WeakPolarHBondContact O-CB 3.21Å; R569-R573 WeakPolarHBondContact O-CG 3.29Å; R569-R573 PolarHBondContact O-N 3.28Å; A570-R573 PolarHBondContact O-N 3.45Å; R573-K575 VanDerWaalsContact C-N 3.28Å; R573-K575 PolarHBondContact O-N 3.32Å; R573-G576 PolarHBondContact O-N 2.9Å; R573-L577 WeakPolarHBondContact O-CG 3.36Å; R573-L577 PolarHBondContact O-N 3.05Å |
| 574 | L | 77.2 | Confident | 75.6 | Confident | 47 Ų | 47 | 98.1 Ų | 98.1 | 25% | 0.246 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -64.5 | -32.6 | 176 | -70.3 | 166.8 | 0 | 0 | 0 | 112.2 | A570 E571 L577 F579 Y580 | A570-L574 WeakPolarHBondContact O-CG 3.41Å; A570-L574 PolarHBondContact O-N 2.84Å; E571-L574 PolarHBondContact O-N 3.15Å; L574-L577 PolarHBondContact O-N 3.12Å; L574-F579 HydrophobicContact CD2-CD2 4.49Å; L574-Y580 HydrophobicContact CB-CE2 4.27Å |
| 575 | K | 79.3 | Confident | 73.8 | Confident | 110 Ų | 110 | 95.3 Ų | 95.3 | 48% | 0.478 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 171.7 | -72.6 | 159.8 | -171.1 | 158.6 | 0 | 111.1 | E571 E572 R573 L577 G578 Y580 | E571-K575 WeakPolarHBondContact O-CB 3.3Å; E571-K575 WeakPolarHBondContact O-CD 3.45Å; E571-K575 WeakPolarHBondContact O-CG 3.44Å; E571-K575 PolarHBondContact O-N 2.86Å; E571-K575 IonicContact OE2-NZ 3.47Å; E571-K575 PolarHBondContact OE2-NZ 3.18Å; E572-K575 PolarHBondContact O-N 3.32Å; R573-K575 VanDerWaalsContact C-N 3.28Å; R573-K575 PolarHBondContact O-N 3.32Å; K575-L577 VanDerWaalsContact C-N 3.28Å; K575-L577 PolarHBondContact O-N 3.13Å; K575-G578 PolarHBondContact O-N 2.77Å; K575-Y580 HydrophobicContact CB-CD2 4.37Å; K575-Y580 HydrophobicContact CB-CE2 4.13Å; K575-Y580 HydrophobicContact CD-CE2 4.45Å; K575-Y580 WeakPolarHBondContact CE-OH 3.48Å; K575-Y580 HydrophobicContact CG-CD2 3.78Å; K575-Y580 HydrophobicContact CG-CE1 4.43Å; K575-Y580 HydrophobicContact CG-CE2 3.3Å |
| 576 | G | 70.2 | Confident | 72 | Confident | 72 Ų | 72 | 92.2 Ų | 92.2 | 74% | 0.742 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.5 | -25.7 | 174 | 0 | 0 | 0 | 0 | 0 | 114.7 | E572 R573 G578 | E572-G576 PolarHBondContact O-N 3.03Å; R573-G576 PolarHBondContact O-N 2.9Å; G576-G578 VanDerWaalsContact C-N 3.31Å |
| 577 | L | 71.3 | Confident | 70.3 | Confident | 124 Ų | 124 | 91.9 Ų | 91.9 | 65% | 0.649 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 7.7 | 176.8 | -70.7 | 168 | 0 | 0 | 0 | 114 | R573 L574 K575 F579 | R573-L577 WeakPolarHBondContact O-CG 3.36Å; R573-L577 PolarHBondContact O-N 3.05Å; L574-L577 PolarHBondContact O-N 3.12Å; K575-L577 VanDerWaalsContact C-N 3.28Å; K575-L577 PolarHBondContact O-N 3.13Å; L577-F579 HydrophobicContact CB-CD2 4.21Å; L577-F579 PolarHBondContact O-N 2.81Å; L577-F579 VanDerWaalsContact O-N 3.15Å |
| 578 | G | 62.9 | Low | 68.6 | Low | 29 Ų | 29 | 91 Ų | 91 | 30% | 0.299 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | 7.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | K575 G576 Y580 S581 | K575-G578 PolarHBondContact O-N 2.77Å; G576-G578 VanDerWaalsContact C-N 3.31Å; G578-Y580 PolarHBondContact O-N 3.37Å; G578-Y580 VanDerWaalsContact O-N 3.07Å; G578-S581 VanDerWaalsContact O-CB 3.23Å; G578-S581 WeakPolarHBondContact O-CB 3.46Å; G578-S581 PolarHBondContact O-N 3.49Å; G578-S581 PolarHBondContact O-OG 3.16Å |
| 579 | F | 56.6 | Low | 66.7 | Low | 74 Ų | 74 | 96 Ų | 96 | 33% | 0.325 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -56.5 | -29 | -178 | -99.3 | -98.5 | 0 | 0 | 0 | 114.1 | L574 L577 S581 L582 L584 | L574-F579 HydrophobicContact CD2-CD2 4.49Å; L577-F579 HydrophobicContact CB-CD2 4.21Å; L577-F579 PolarHBondContact O-N 2.81Å; L577-F579 VanDerWaalsContact O-N 3.15Å; F579-S581 PolarHBondContact O-N 3.3Å; F579-L582 PolarHBondContact O-N 3.2Å; F579-L584 HydrophobicContact CD1-CB 4.42Å; F579-L584 HydrophobicContact CD1-CD1 3.95Å; F579-L584 HydrophobicContact CE1-CD1 3.93Å |
| 580 | Y | 55.4 | Low | 65.6 | Low | 116 Ų | 116 | 92.9 Ų | 92.9 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -70.1 | -17 | 178 | -63.3 | -100.1 | 0 | 0 | 0 | 112.8 | L574 K575 G578 L582 | L574-Y580 HydrophobicContact CB-CE2 4.27Å; K575-Y580 HydrophobicContact CB-CD2 4.37Å; K575-Y580 HydrophobicContact CB-CE2 4.13Å; K575-Y580 HydrophobicContact CD-CE2 4.45Å; K575-Y580 WeakPolarHBondContact CE-OH 3.48Å; K575-Y580 HydrophobicContact CG-CD2 3.78Å; K575-Y580 HydrophobicContact CG-CE1 4.43Å; K575-Y580 HydrophobicContact CG-CE2 3.3Å; G578-Y580 PolarHBondContact O-N 3.37Å; G578-Y580 VanDerWaalsContact O-N 3.07Å; Y580-L582 VanDerWaalsContact C-N 3.28Å |
| 581 | S | 57.8 | Low | 64.5 | Low | 110 Ų | 110 | 95.2 Ų | 95.2 | 77% | 0.769 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -77.3 | -12.6 | 170.8 | -50.5 | 0 | 0 | 0 | 0 | 113 | G578 F579 | G578-S581 VanDerWaalsContact O-CB 3.23Å; G578-S581 WeakPolarHBondContact O-CB 3.46Å; G578-S581 PolarHBondContact O-N 3.49Å; G578-S581 PolarHBondContact O-OG 3.16Å; F579-S581 PolarHBondContact O-N 3.3Å |
| 582 | L | 58.5 | Low | 63.3 | Low | 127 Ų | 127 | 97.7 Ų | 97.7 | 67% | 0.665 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -105.1 | 7.9 | -178.7 | -62.2 | 174.7 | 0 | 0 | 0 | 113.1 | F579 Y580 L584 | F579-L582 PolarHBondContact O-N 3.2Å; Y580-L582 VanDerWaalsContact C-N 3.28Å; L582-L584 HydrophobicContact CB-CD1 4.42Å; L582-L584 PolarHBondContact O-N 3.4Å |
| 583 | G | 56.8 | Low | 61.9 | Low | 69 Ų | 69 | 95.4 Ų | 95.4 | 71% | 0.711 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.1 | -4.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | S585 | G583-S585 PolarHBondContact O-N 3.08Š|
| 584 | L | 58.7 | Low | 60.5 | Low | 89 Ų | 89 | 90.9 Ų | 90.9 | 47% | 0.466 | 55% | 0.551 | S | S | . | * | | | trans | -67.3 | 117.1 | -179.1 | -72.3 | 165.6 | 0 | 0 | 0 | 111.2 | F579 L582 | F579-L584 HydrophobicContact CD1-CB 4.42Å; F579-L584 HydrophobicContact CD1-CD1 3.95Å; F579-L584 HydrophobicContact CE1-CD1 3.93Å; L582-L584 HydrophobicContact CB-CD1 4.42Å; L582-L584 PolarHBondContact O-N 3.4Å |
| 585 | S | 51.6 | Low | 59.4 | Low | 58 Ų | 58 | 93.9 Ų | 93.9 | 41% | 0.406 | 57% | 0.571 | S | S | . | * | | | trans | -80.2 | 156.1 | -177 | 90.7 | 0 | 0 | 0 | 0 | 112.3 | G583 A587 S588 | G583-S585 PolarHBondContact O-N 3.08Å; S585-A587 PolarHBondContact O-N 2.88Å; S585-A587 VanDerWaalsContact O-N 3.11Å; S585-A587 PolarHBondContact OG-N 3.19Å; S585-A587 VanDerWaalsContact OG-N 3.14Å; S585-S588 WeakPolarHBondContact O-CB 3.44Å; S585-S588 PolarHBondContact O-N 3.29Å; S585-S588 PolarHBondContact OG-OG 3.09Å |
| 586 | F | 54.9 | Low | 58 | Low | 96 Ų | 96 | 92.7 Ų | 92.7 | 42% | 0.421 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -64.5 | -11.3 | 172.5 | -167.7 | -83.4 | 0 | 0 | 0 | 113.2 | K567 E571 S588 | K567-F586 HydrophobicContact CD-CZ 4.36Å; E571-F586 HydrophobicContact CG-CD2 4.33Å; E571-F586 HydrophobicContact CG-CE2 4Å; F586-S588 VanDerWaalsContact C-N 3.28Å |
| 587 | A | 54.3 | Low | 57 | Low | 97 Ų | 97 | 94.3 Ų | 94.3 | 80% | 0.802 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -87.4 | 2.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S585 | S585-A587 PolarHBondContact O-N 2.88Å; S585-A587 VanDerWaalsContact O-N 3.11Å; S585-A587 PolarHBondContact OG-N 3.19Å; S585-A587 VanDerWaalsContact OG-N 3.14Å |
| 588 | S | 54.1 | Low | 55.9 | Low | 79 Ų | 79 | 91.8 Ų | 91.8 | 55% | 0.552 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -112.3 | 10.4 | -176.4 | -47.4 | 0 | 0 | 0 | 0 | 112.8 | S585 F586 | S585-S588 WeakPolarHBondContact O-CB 3.44Å; S585-S588 PolarHBondContact O-N 3.29Å; S585-S588 PolarHBondContact OG-OG 3.09Å; F586-S588 VanDerWaalsContact C-N 3.28Å |
| 589 | L | 48.8 | Very low | 55.2 | Low | 158 Ų | 158 | 97.5 Ų | 97.5 | 83% | 0.827 | 58% | 0.582 | S | S | * | * | | | trans | -144.2 | 0 | -177.6 | -76.4 | 171.1 | 0 | 0 | 0 | 110.1 | | |