| 1 | M | 36.3 | Very low | 38.3 | Very low | 229 Ų | 229 | 146.8 Ų | 146.8 | 100% | 1.128 | 77% | 0.773 | S | S | * | * | | | | 0 | 121 | 0 | -65.6 | 155.2 | 177.5 | 0 | 0 | 106 | | |
| 2 | E | 35.3 | Very low | 38 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | | | cis | -157.8 | 125.5 | -9 | -107.1 | 148.2 | 115.7 | 0 | 0 | 104 | | |
| 3 | A | 37.5 | Very low | 37.5 | Very low | 80 Ų | 80 | 146.8 Ų | 146.8 | 66% | 0.661 | 77% | 0.769 | S | S | * | * | | | | 85.6 | 127.9 | 86.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 4 | T | 42.6 | Very low | 37.2 | Very low | 128 Ų | 128 | 149 Ų | 149 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | 64.4 | 146.1 | 156.9 | 48.6 | 0 | 0 | 0 | 0 | 119 | | |
| 5 | Q | 43.3 | Very low | 36.7 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | | | cis | -146.5 | 140.3 | 2.4 | -106.1 | 149.6 | 1.8 | 0 | 0 | 106.7 | | |
| 6 | D | 37.9 | Very low | 36.8 | Very low | 148 Ų | 148 | 148.4 Ų | 148.4 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | | 84 | 158 | 68.1 | -146.8 | -10.9 | 0 | 0 | 0 | 114 | | |
| 7 | L | 42.5 | Very low | 36.5 | Very low | 158 Ų | 158 | 147.1 Ų | 147.1 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | | | trans | 86.9 | 129.9 | -167.5 | -56.1 | 167.9 | 0 | 0 | 0 | 116.2 | | |
| 8 | S | 37.3 | Very low | 36.2 | Very low | 85 Ų | 85 | 149.2 Ų | 149.2 | 59% | 0.594 | 78% | 0.782 | S | S | * | * | | | cis | -172.6 | 128.8 | -26 | 41.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 9 | E | 39.3 | Very low | 35.9 | Very low | 166 Ų | 166 | 147.1 Ų | 147.1 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | 52.6 | 142.2 | 139 | -54.5 | -160.8 | 122 | 0 | 0 | 121.4 | | |
| 10 | Q | 34.5 | Very low | 35.6 | Very low | 144 Ų | 144 | 148.4 Ų | 148.4 | 67% | 0.673 | 78% | 0.782 | S | S | * | * | | | cis | -155.2 | 134.1 | -9.9 | -102 | 170.7 | 33.8 | 0 | 0 | 105.3 | | |
| 11 | M | 34.7 | Very low | 35.8 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | | | | 41.2 | 128.2 | 104 | -66.8 | -173.3 | 54.8 | 0 | 0 | 115.7 | K13 | M11-K13 HydrophobicContact CE-CD 3.94Š|
| 12 | V | 34.3 | Very low | 35.8 | Very low | 127 Ų | 127 | 142 Ų | 142 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | | | | -160.9 | 121.5 | 76.4 | 149.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 13 | K | 32.2 | Very low | 35.6 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | | | | 54.8 | 139.9 | 85.9 | -82 | -171.1 | -180 | 172.4 | 0 | 114.4 | M11 | M11-K13 HydrophobicContact CE-CD 3.94Š|
| 14 | K | 33.8 | Very low | 36.2 | Very low | 178 Ų | 178 | 142 Ų | 142 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | | | cis | -172.2 | 141.4 | -3.5 | 171.3 | 179.3 | 176.7 | -166 | 0 | 111.3 | | |
| 15 | S | 29.4 | Very low | 35.8 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | | | trans | 51.1 | 145.5 | 149.4 | -55.6 | 0 | 0 | 0 | 0 | 125.4 | | |
| 16 | H | 38.3 | Very low | 35.4 | Very low | 188 Ų | 188 | 140.9 Ų | 140.9 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | | | trans | -48.1 | 158.2 | 155.1 | -74.8 | -89.7 | 0 | 0 | 0 | 116.9 | | |
| 17 | S | 31 | Very low | 35.4 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 88% | 0.881 | 77% | 0.767 | S | S | * | * | | | trans | -152.2 | 171.8 | 138.6 | 55.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 18 | E | 30.8 | Very low | 35 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | | | trans | -112.6 | -176.9 | -157.3 | -171.1 | 177.1 | -179.9 | 0 | 0 | 113.3 | | |
| 19 | S | 30.7 | Very low | 34.9 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | 80.2 | 157.8 | 174.9 | 84 | 0 | 0 | 0 | 0 | 116.5 | | |
| 20 | H | 30.2 | Very low | 34.7 | Very low | 173 Ų | 173 | 144.3 Ų | 144.3 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | | | cis | -155.2 | 159.8 | 4.6 | -164.1 | -75.3 | 0 | 0 | 0 | 110 | | |
| 21 | V | 40.5 | Very low | 34.5 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | | | trans | -79.3 | 147.2 | 172.4 | 175.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 22 | P | 35.1 | Very low | 34.9 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | | | trans | -144 | 149.5 | 136.3 | 36.9 | -22.4 | 0 | 0 | 0 | 115.9 | | |
| 23 | D | 31 | Very low | 35.1 | Very low | 150 Ų | 150 | 149.7 Ų | 149.7 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | trans | -145.3 | 151.4 | 153.2 | -160.8 | 51 | 0 | 0 | 0 | 103.8 | | |
| 24 | P | 50.6 | Low | 35.3 | Very low | 103 Ų | 103 | 149.4 Ų | 149.4 | 67% | 0.669 | 81% | 0.808 | S | S | * | * | | | cis | -141.1 | -162.9 | 31.7 | 42.6 | -21.3 | 0 | 0 | 0 | 116.2 | | |
| 25 | S | 34.6 | Very low | 35.4 | Very low | 104 Ų | 104 | 148.8 Ų | 148.8 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | | | trans | 77.7 | 98.6 | 166.9 | 75.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 26 | D | 34.4 | Very low | 35.5 | Very low | 170 Ų | 170 | 148.6 Ų | 148.6 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | | | | -153.5 | 131.3 | 103.2 | -118.6 | -27.3 | 0 | 0 | 0 | 111.8 | | |
| 27 | A | 38.1 | Very low | 35.3 | Very low | 97 Ų | 97 | 144.6 Ų | 144.6 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | | | trans | -94.7 | 122.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 28 | R | 34.8 | Very low | 35.6 | Very low | 247 Ų | 247 | 145 Ų | 145 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | | | trans | -117.4 | 103.3 | 169 | -162.9 | 171.2 | -173 | 161.4 | 1.4 | 110.2 | | |
| 29 | S | 34.2 | Very low | 35.7 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | | | trans | -67 | 140.5 | 178.8 | -57.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 30 | M | 36.2 | Very low | 35.8 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 89% | 0.892 | 81% | 0.808 | S | S | * | * | | | trans | 31.7 | 125.8 | 144 | -63.5 | 177 | 174.1 | 0 | 0 | 120.1 | | |
| 31 | E | 30.3 | Very low | 35.9 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | | | trans | -132.2 | 110.3 | 134.8 | -168.7 | 175.1 | 148.6 | 0 | 0 | 108.1 | | |
| 32 | M | 42.9 | Very low | 35.5 | Very low | 164 Ų | 164 | 150.5 Ų | 150.5 | 81% | 0.808 | 82% | 0.818 | S | S | * | * | | | trans | -89 | 130 | 168.5 | -72.3 | -110.8 | -71.2 | 0 | 0 | 107.8 | D34 | M32-D34 PolarHBondContact O-N 3.49Š|
| 33 | Q | 39.3 | Very low | 35.1 | Very low | 172 Ų | 172 | 148.3 Ų | 148.3 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | -81.7 | 101.7 | 175.6 | -68.3 | -177.9 | 5.5 | 0 | 0 | 109.9 | L35 | Q33-L35 PolarHBondContact O-N 2.67Å; Q33-L35 VanDerWaalsContact O-N 3.14Å |
| 34 | D | 35.2 | Very low | 35 | Very low | 159 Ų | 159 | 146.4 Ų | 146.4 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | | | trans | -65.1 | 106.8 | 170.4 | -89.3 | -43.3 | 0 | 0 | 0 | 110.8 | M32 A36 | M32-D34 PolarHBondContact O-N 3.49Å; D34-A36 PolarHBondContact O-N 3.03Å |
| 35 | L | 36.9 | Very low | 33.9 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 87% | 0.869 | 83% | 0.828 | S | S | * | * | | | trans | -81 | 93.4 | 166.1 | -73 | 177.7 | 0 | 0 | 0 | 109.8 | Q33 S37 | Q33-L35 PolarHBondContact O-N 2.67Å; Q33-L35 VanDerWaalsContact O-N 3.14Å; L35-S37 PolarHBondContact O-N 3.07Å |
| 36 | A | 31.4 | Very low | 33.7 | Very low | 95 Ų | 95 | 148 Ų | 148 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | | | trans | -58.3 | 131.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | D34 | D34-A36 PolarHBondContact O-N 3.03Š|
| 37 | S | 32.2 | Very low | 33.5 | Very low | 105 Ų | 105 | 145 Ų | 145 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | | | trans | -64.2 | 146.3 | 172.6 | -43.2 | 0 | 0 | 0 | 0 | 111.8 | L35 H39 | L35-S37 PolarHBondContact O-N 3.07Å; S37-H39 PolarHBondContact O-N 3.35Å; S37-H39 VanDerWaalsContact O-N 3.12Å |
| 38 | P | 38.7 | Very low | 33.4 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | | | trans | -70 | 111.5 | 179.2 | 28 | -33.5 | 0 | 0 | 0 | 111.1 | | |
| 39 | H | 32.5 | Very low | 33.3 | Very low | 182 Ų | 182 | 139 Ų | 139 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | | | trans | -75.3 | 136 | 179.2 | -134.9 | 76.2 | 0 | 0 | 0 | 111.9 | S37 R41 | S37-H39 PolarHBondContact O-N 3.35Å; S37-H39 VanDerWaalsContact O-N 3.12Å; H39-R41 PolarHBondContact O-N 2.88Å |
| 40 | N | 33.4 | Very low | 33.2 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 77% | 0.77 | 83% | 0.832 | S | S | * | * | | | trans | -67.1 | 120.2 | -176 | -164.8 | -8.7 | 0 | 0 | 0 | 111.3 | V42 | N40-V42 PolarHBondContact O-N 2.97Š|
| 41 | R | 31.5 | Very low | 33.3 | Very low | 244 Ų | 244 | 141.1 Ų | 141.1 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | | | trans | -91.9 | 94.2 | 178.3 | -96.2 | -170.2 | 168.8 | -172.8 | -2 | 111.8 | H39 | H39-R41 PolarHBondContact O-N 2.88Š|
| 42 | V | 31.4 | Very low | 33.5 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 82% | 0.824 | 83% | 0.831 | S | S | * | * | | | trans | -76.8 | 123.5 | 158.3 | 179.8 | 0 | 0 | 0 | 0 | 108.5 | N40 | N40-V42 PolarHBondContact O-N 2.97Š|
| 43 | G | 27.3 | Very low | 33 | Very low | 75 Ų | 75 | 139.4 Ų | 139.4 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | | | trans | -149.2 | 108.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 44 | A | 28.9 | Very low | 32.8 | Very low | 111 Ų | 111 | 141 Ų | 141 | 92% | 0.917 | 84% | 0.835 | S | S | * | * | | | trans | -81.1 | 153.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 45 | G | 28.7 | Very low | 32.9 | Very low | 75 Ų | 75 | 138 Ų | 138 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | | | trans | -157.1 | 113.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 46 | D | 29.4 | Very low | 32.5 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | | | trans | -64.2 | 149 | -173.2 | -75.9 | -60.8 | 0 | 0 | 0 | 114.7 | | |
| 47 | S | 31.2 | Very low | 32.9 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 76% | 0.755 | 83% | 0.834 | S | S | * | * | | | trans | -166.6 | 110.4 | 137.2 | -82.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 48 | T | 34.3 | Very low | 32.7 | Very low | 137 Ų | 137 | 140 Ų | 140 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | | | trans | 55.7 | 85.9 | 142.8 | 61.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 49 | G | 33 | Very low | 32.6 | Very low | 80 Ų | 80 | 139.2 Ų | 139.2 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | | | trans | 6.5 | 137.9 | 142.5 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 50 | S | 32.2 | Very low | 32.6 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | | | trans | -149 | 146 | 131.5 | 44.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 51 | K | 38 | Very low | 32.5 | Very low | 203 Ų | 203 | 134.9 Ų | 134.9 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | | | trans | -90.7 | 130.5 | -177.2 | 175.2 | -171.5 | -174.4 | -176.8 | 0 | 108.4 | | |
| 52 | L | 35.7 | Very low | 32.5 | Very low | 161 Ų | 161 | 130.6 Ų | 130.6 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | | | trans | -173.1 | 176.3 | 156 | -104.3 | 168.6 | 0 | 0 | 0 | 112.3 | | |
| 53 | D | 31.2 | Very low | 32.7 | Very low | 149 Ų | 149 | 130.4 Ų | 130.4 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | | | trans | -87.8 | 164.8 | -144 | -81.9 | -75.1 | 0 | 0 | 0 | 120.2 | | |
| 54 | K | 36.7 | Very low | 33.1 | Very low | 204 Ų | 204 | 132.4 Ų | 132.4 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | | | trans | -71.4 | 108.3 | 178.3 | -176.5 | -176.9 | -168.6 | 175.7 | 0 | 112.7 | | |
| 55 | S | 35.6 | Very low | 33.3 | Very low | 96 Ų | 96 | 135.3 Ų | 135.3 | 67% | 0.671 | 82% | 0.818 | S | S | * | * | | | trans | -170.7 | 153.3 | 149.1 | 54.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 56 | N | 29.9 | Very low | 33.4 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | | | trans | 73.3 | 102.4 | 163.7 | -53.3 | -47.7 | 0 | 0 | 0 | 118.9 | G58 | N56-G58 PolarHBondContact O-N 2.68Š|
| 57 | L | 39.1 | Very low | 33.7 | Very low | 190 Ų | 190 | 134.5 Ų | 134.5 | 100% | 0.995 | 82% | 0.819 | S | S | * | * | | | trans | -67.1 | 100.9 | 152.7 | -72.1 | 161.9 | 0 | 0 | 0 | 108.5 | | |
| 58 | G | 28.6 | Very low | 34.1 | Very low | 67 Ų | 67 | 133.2 Ų | 133.2 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 128.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | N56 | N56-G58 PolarHBondContact O-N 2.68Š|
| 59 | S | 35.7 | Very low | 33.9 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 140.9 | 175.7 | -42.5 | 0 | 0 | 0 | 0 | 111.8 | S61 | S59-S61 PolarHBondContact O-N 3.33Š|
| 60 | P | 33.8 | Very low | 34.1 | Very low | 126 Ų | 126 | 136 Ų | 136 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 119.6 | 167.8 | 29.2 | -31.1 | 0 | 0 | 0 | 110 | | |
| 61 | S | 29.7 | Very low | 34.1 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 127.7 | 171.7 | 53.7 | 0 | 0 | 0 | 0 | 110.8 | S59 | S59-S61 PolarHBondContact O-N 3.33Š|
| 62 | I | 33.1 | Very low | 34.1 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 123.7 | 165.8 | -75.6 | 174.5 | 0 | 0 | 0 | 109.3 | | |
| 63 | T | 34.4 | Very low | 34.5 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | | | trans | -94 | 107.4 | 163.9 | 48.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 64 | T | 35.7 | Very low | 35 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 71% | 0.712 | 79% | 0.794 | S | S | * | * | | | trans | -70.7 | 127 | -179.3 | -47.7 | 0 | 0 | 0 | 0 | 112 | | |
| 65 | N | 33.4 | Very low | 35.2 | Very low | 172 Ų | 172 | 124.2 Ų | 124.2 | 92% | 0.92 | 79% | 0.785 | S | S | * | * | | | trans | -160.9 | 108 | 156.9 | -96 | -33.8 | 0 | 0 | 0 | 108.2 | | |
| 66 | G | 29.9 | Very low | 35.2 | Very low | 72 Ų | 72 | 124.7 Ų | 124.7 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | | | trans | 144.6 | 118.6 | -178 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 67 | T | 37.2 | Very low | 36.3 | Very low | 151 Ų | 151 | 123 Ų | 123 | 93% | 0.926 | 78% | 0.776 | S | S | * | * | | | trans | -84.2 | 141.4 | -169.7 | -43.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 68 | G | 40.1 | Very low | 36.3 | Very low | 80 Ų | 80 | 116.7 Ų | 116.7 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | | | trans | 83.8 | 109.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 69 | G | 29.7 | Very low | 36.7 | Very low | 74 Ų | 74 | 119 Ų | 119 | 76% | 0.763 | 75% | 0.747 | S | S | * | * | | | trans | 158.9 | 93.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S71 | G69-S71 PolarHBondContact O-N 3.29Š|
| 70 | E | 36.5 | Very low | 37.5 | Very low | 203 Ų | 203 | 120.8 Ų | 120.8 | 95% | 0.949 | 74% | 0.736 | S | S | * | * | | | trans | -75.1 | 94.3 | -177.9 | -61.6 | -176.6 | -136 | 0 | 0 | 109.3 | M72 | E70-M72 PolarHBondContact O-N 3.32Š|
| 71 | S | 32.5 | Very low | 38.2 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | | | trans | -66.1 | 103.2 | 179.4 | -172.8 | 0 | 0 | 0 | 0 | 109.8 | G69 T73 | G69-S71 PolarHBondContact O-N 3.29Å; S71-T73 PolarHBondContact O-N 3.27Å |
| 72 | M | 38.7 | Very low | 38.7 | Very low | 125 Ų | 125 | 123.6 Ų | 123.6 | 62% | 0.616 | 73% | 0.734 | S | S | * | * | | | trans | -55.8 | 97.5 | 176.1 | -173 | -171.1 | -66.1 | 0 | 0 | 110.1 | E70 V74 | E70-M72 PolarHBondContact O-N 3.32Å; M72-V74 VanDerWaalsContact C-N 3.25Å; M72-V74 HydrophobicContact CG-CG2 4.19Å; M72-V74 PolarHBondContact O-N 3.12Å; M72-V74 HydrophobicContact SD-CG2 4.12Å |
| 73 | T | 43.2 | Very low | 38.8 | Very low | 115 Ų | 115 | 119.6 Ų | 119.6 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | | | trans | -72.1 | 87.7 | 169.2 | 52.6 | 0 | 0 | 0 | 0 | 108.2 | S71 L75 | S71-T73 PolarHBondContact O-N 3.27Å; T73-L75 VanDerWaalsContact C-N 3.29Å; T73-L75 PolarHBondContact O-N 3.1Å |
| 74 | V | 40.7 | Very low | 38.8 | Very low | 117 Ų | 117 | 118.9 Ų | 118.9 | 71% | 0.709 | 73% | 0.73 | S | S | * | * | | | trans | -58.4 | 97.6 | 166.2 | -179.3 | 0 | 0 | 0 | 0 | 107 | M72 N76 | M72-V74 VanDerWaalsContact C-N 3.25Å; M72-V74 HydrophobicContact CG-CG2 4.19Å; M72-V74 PolarHBondContact O-N 3.12Å; M72-V74 HydrophobicContact SD-CG2 4.12Å; V74-N76 PolarHBondContact O-N 3.36Å; V74-N76 VanDerWaalsContact O-N 3.09Å |
| 75 | L | 41.6 | Very low | 38.6 | Very low | 133 Ų | 133 | 118.9 Ų | 118.9 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | | | trans | -62.9 | 114.9 | 177 | -78.2 | 170.1 | 0 | 0 | 0 | 107.5 | T73 T77 | T73-L75 VanDerWaalsContact C-N 3.29Å; T73-L75 PolarHBondContact O-N 3.1Å; L75-T77 PolarHBondContact O-N 3.15Å |
| 76 | N | 35 | Very low | 38.8 | Very low | 106 Ų | 106 | 115.8 Ų | 115.8 | 57% | 0.567 | 73% | 0.726 | S | S | * | * | | | trans | -52.3 | 113.3 | -175.1 | -177 | -4.2 | 0 | 0 | 0 | 111 | V74 A78 D79 | V74-N76 PolarHBondContact O-N 3.36Å; V74-N76 VanDerWaalsContact O-N 3.09Å; N76-A78 PolarHBondContact O-N 2.75Å; N76-A78 WeakPolarHBondContact OD1-CB 3.43Å; N76-A78 PolarHBondContact OD1-N 2.82Å; N76-D79 PolarHBondContact O-N 3.16Å |
| 77 | T | 52.9 | Low | 39.2 | Very low | 117 Ų | 117 | 118 Ų | 118 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -56.8 | -17.8 | -176.2 | -48.7 | 0 | 0 | 0 | 0 | 113.6 | L75 | L75-T77 PolarHBondContact O-N 3.15Š|
| 78 | A | 39.3 | Very low | 39.2 | Very low | 57 Ų | 57 | 116.5 Ų | 116.5 | 47% | 0.471 | 72% | 0.72 | S | S | . | * | G | 310 helix | trans | -71.2 | -28.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | N76 W80 | N76-A78 PolarHBondContact O-N 2.75Å; N76-A78 WeakPolarHBondContact OD1-CB 3.43Å; N76-A78 PolarHBondContact OD1-N 2.82Å; A78-W80 VanDerWaalsContact C-N 3.3Å; A78-W80 PolarHBondContact O-N 2.93Å |
| 79 | D | 37.8 | Very low | 39 | Very low | 115 Ų | 115 | 118.6 Ų | 118.6 | 62% | 0.615 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -72 | -20.4 | -171.5 | -84.2 | -37.3 | 0 | 0 | 0 | 113.9 | N76 L81 | N76-D79 PolarHBondContact O-N 3.16Å; D79-L81 VanDerWaalsContact C-N 3.33Å; D79-L81 PolarHBondContact O-N 2.95Å |
| 80 | W | 53.1 | Low | 39.3 | Very low | 155 Ų | 155 | 120.1 Ų | 120.1 | 59% | 0.587 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -73.9 | -19.3 | -175.6 | -62 | 102.2 | 0 | 0 | 0 | 114.4 | A78 R411 | A78-W80 VanDerWaalsContact C-N 3.3Å; A78-W80 PolarHBondContact O-N 2.93Å; W80-R411 VanDerWaalsContact CZ2-NH2 3.29Å |
| 81 | L | 47.1 | Very low | 39.1 | Very low | 154 Ų | 154 | 116 Ų | 116 | 81% | 0.806 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -81.1 | -14.6 | -178.2 | -69.3 | 175.7 | 0 | 0 | 0 | 114 | D79 | D79-L81 VanDerWaalsContact C-N 3.33Å; D79-L81 PolarHBondContact O-N 2.95Å |
| 82 | L | 41.1 | Very low | 39.1 | Very low | 139 Ų | 139 | 114.4 Ų | 114.4 | 73% | 0.728 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -93.2 | -3.8 | -173 | -62.9 | 176.5 | 0 | 0 | 0 | 114.2 | C84 | L82-C84 VanDerWaalsContact C-N 3.34Å; L82-C84 PolarHBondContact O-N 3.01Å |
| 83 | G | 34.8 | Very low | 38.7 | Very low | 69 Ų | 69 | 114 Ų | 114 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | | | trans | -74.1 | -13.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | S85 | G83-S85 PolarHBondContact O-N 3.45Š|
| 84 | C | 35.5 | Very low | 38.4 | Very low | 119 Ų | 119 | 117.8 Ų | 117.8 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | | | trans | -93.1 | 65.5 | -173.3 | -70.8 | 0 | 0 | 0 | 0 | 113.6 | L82 S86 | L82-C84 VanDerWaalsContact C-N 3.34Å; L82-C84 PolarHBondContact O-N 3.01Å; C84-S86 PolarHBondContact O-N 3.28Å; C84-S86 VanDerWaalsContact O-N 3.09Å |
| 85 | S | 31.4 | Very low | 37.9 | Very low | 116 Ų | 116 | 119.6 Ų | 119.6 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | | | trans | -72.2 | 98.1 | 170.8 | -73.4 | 0 | 0 | 0 | 0 | 111.8 | G83 | G83-S85 PolarHBondContact O-N 3.45Š|
| 86 | S | 36.1 | Very low | 37.4 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 137.5 | 166.7 | -61.4 | 0 | 0 | 0 | 0 | 110.5 | C84 | C84-S86 PolarHBondContact O-N 3.28Å; C84-S86 VanDerWaalsContact O-N 3.09Å |
| 87 | P | 39.3 | Very low | 37.1 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -69 | 142.8 | 173.8 | 28.8 | -33.6 | 0 | 0 | 0 | 111 | | |
| 88 | P | 37.3 | Very low | 35.8 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 151 | -178.8 | 29.6 | -35.1 | 0 | 0 | 0 | 112 | | |
| 89 | P | 35.3 | Very low | 35.5 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 137.7 | 177.7 | 29.3 | -34.4 | 0 | 0 | 0 | 111.4 | S91 | P89-S91 PolarHBondContact O-N 2.97Å; P89-S91 VanDerWaalsContact O-N 3.15Å |
| 90 | A | 35.1 | Very low | 35.1 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | | | trans | -70.6 | 106.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | G92 | A90-G92 PolarHBondContact O-N 2.74Š|
| 91 | S | 33.4 | Very low | 34 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | | | trans | -81.3 | 105.1 | 172.7 | 51.5 | 0 | 0 | 0 | 0 | 111.1 | P89 | P89-S91 PolarHBondContact O-N 2.97Å; P89-S91 VanDerWaalsContact O-N 3.15Å |
| 92 | G | 31.9 | Very low | 33.2 | Very low | 75 Ų | 75 | 132.8 Ų | 132.8 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | trans | -81 | 114.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | A90 | A90-G92 PolarHBondContact O-N 2.74Š|
| 93 | S | 30.3 | Very low | 32.6 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | -147.4 | 119.9 | 160.8 | -77.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 94 | K | 37.5 | Very low | 32.1 | Very low | 193 Ų | 193 | 134.4 Ų | 134.4 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | | | trans | -80.1 | 136.6 | 157.9 | -65.5 | 173.5 | 175.8 | 174.8 | 0 | 107.3 | | |
| 95 | D | 30.6 | Very low | 31.9 | Very low | 156 Ų | 156 | 132.9 Ų | 132.9 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | | | | 178.7 | 164.6 | 108.9 | -86.6 | -28 | 0 | 0 | 0 | 111.9 | | |
| 96 | Y | 31.3 | Very low | 31.8 | Very low | 215 Ų | 215 | 135.3 Ų | 135.3 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | | | trans | -62.8 | 151.1 | -171.1 | -99.1 | -122.3 | 0 | 0 | 0 | 114.7 | | |
| 97 | V | 27.1 | Very low | 31.4 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | | | | -171.8 | 135.5 | 103.1 | 152.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 98 | K | 27.5 | Very low | 30.9 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | | | trans | -49.3 | 137.3 | 172.6 | 170.9 | -170.2 | 179.9 | -177.7 | 0 | 117.5 | | |
| 99 | T | 31.4 | Very low | 30.6 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 87% | 0.871 | 80% | 0.798 | S | S | * | * | | | trans | -148 | 146.2 | 143 | 39.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 100 | E | 29.2 | Very low | 30.3 | Very low | 157 Ų | 157 | 136.7 Ų | 136.7 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 158.4 | -170.9 | -61.5 | 176 | 155.4 | 0 | 0 | 114.1 | | |
| 101 | P | 30.4 | Very low | 30.2 | Very low | 129 Ų | 129 | 138 Ų | 138 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 121.9 | 162.3 | 33.5 | -28.5 | 0 | 0 | 0 | 111 | | |
| 102 | L | 30.3 | Very low | 30.2 | Very low | 172 Ų | 172 | 136 Ų | 136 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 124.2 | 172 | -101.9 | 163.4 | 0 | 0 | 0 | 111 | | |
| 103 | N | 29.8 | Very low | 30.3 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 65% | 0.647 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 139.8 | 172.7 | 173.6 | 30.3 | 0 | 0 | 0 | 111.1 | S105 | N103-S105 PolarHBondContact ND2-OG 3.43Å; N103-S105 PolarHBondContact OD1-N 3.5Å; N103-S105 PolarHBondContact OD1-OG 2.89Å |
| 104 | S | 24.5 | Very low | 30.4 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | -132.2 | 109.6 | 158.7 | -69.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 105 | S | 30.7 | Very low | 30.1 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | | | trans | -94.6 | 148.5 | -178.8 | -50.6 | 0 | 0 | 0 | 0 | 110.6 | N103 | N103-S105 PolarHBondContact ND2-OG 3.43Å; N103-S105 PolarHBondContact OD1-N 3.5Å; N103-S105 PolarHBondContact OD1-OG 2.89Å |
| 106 | D | 29.4 | Very low | 30.5 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | | | trans | -138.4 | 145.4 | 153.1 | -110 | -40 | 0 | 0 | 0 | 111.2 | | |
| 107 | T | 28.1 | Very low | 30.6 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | -84.7 | 155.1 | -158.1 | 5.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 108 | V | 28.7 | Very low | 30.8 | Very low | 139 Ų | 139 | 130.1 Ų | 130.1 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | | | | -170.3 | 136.3 | 118.4 | 143.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 109 | T | 29.7 | Very low | 31 | Very low | 108 Ų | 108 | 133 Ų | 133 | 66% | 0.663 | 78% | 0.781 | S | S | * | * | | | trans | -36.5 | 145.4 | 171.8 | -29.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 110 | T | 30.5 | Very low | 31 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | | -172.1 | 131.8 | 71.9 | -59.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 111 | T | 32.9 | Very low | 31.1 | Very low | 134 Ų | 134 | 126.8 Ų | 126.8 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | 7 | 140.8 | 145.6 | -32.7 | 0 | 0 | 0 | 0 | 122.7 | | |
| 112 | G | 32.4 | Very low | 31.1 | Very low | 75 Ų | 75 | 126.4 Ų | 126.4 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | 165.2 | 127.8 | 152.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 113 | D | 33.4 | Very low | 31 | Very low | 149 Ų | 149 | 123.9 Ų | 123.9 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | -129.9 | 161.4 | -168.2 | -154 | -7.2 | 0 | 0 | 0 | 113.2 | | |
| 114 | T | 32.5 | Very low | 31.2 | Very low | 120 Ų | 120 | 125.3 Ų | 125.3 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | trans | 70.5 | 129 | 160.8 | 60.6 | 0 | 0 | 0 | 0 | 124.6 | | |
| 115 | A | 32 | Very low | 31.4 | Very low | 101 Ų | 101 | 125.2 Ų | 125.2 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | | | | 84.6 | 143.1 | 128.9 | 0 | 0 | 0 | 0 | 0 | 124.8 | | |
| 116 | L | 38.8 | Very low | 31.4 | Very low | 154 Ų | 154 | 126 Ų | 126 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | | | trans | -54.9 | 151.2 | 174.2 | -81.5 | 110.2 | 0 | 0 | 0 | 115.3 | | |
| 117 | D | 32.5 | Very low | 31.8 | Very low | 146 Ų | 146 | 124.1 Ų | 124.1 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | | | | -173.9 | -172.1 | 85.5 | -135.4 | -42.6 | 0 | 0 | 0 | 114.4 | | |
| 118 | T | 32.5 | Very low | 31.7 | Very low | 101 Ų | 101 | 121.8 Ų | 121.8 | 62% | 0.62 | 78% | 0.777 | S | S | * | * | | | trans | -107.8 | 135.1 | -152.1 | -47.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 119 | Y | 31.6 | Very low | 31.8 | Very low | 219 Ų | 219 | 126.2 Ų | 126.2 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | | | | 161.8 | 144.5 | 124.1 | -109.7 | -87.4 | 0 | 0 | 0 | 116.5 | | |
| 120 | A | 32.1 | Very low | 32.1 | Very low | 97 Ų | 97 | 125.7 Ų | 125.7 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | trans | 55.4 | 132.9 | 153.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 121 | G | 30.2 | Very low | 32.7 | Very low | 73 Ų | 73 | 125.4 Ų | 125.4 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | 162.4 | -18.1 | 142.7 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 122 | S | 31.5 | Very low | 32.5 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | | | trans | 74.1 | 162.9 | 175.5 | -158.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 123 | V | 27.9 | Very low | 32.4 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | | | trans | 98.3 | 87.2 | 160.9 | -171.7 | 0 | 0 | 0 | 0 | 119.2 | | |
| 124 | I | 32.4 | Very low | 32.7 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | 76.1 | 140.8 | 150 | -6.2 | -174.5 | 0 | 0 | 0 | 123.8 | | |
| 125 | T | 30.3 | Very low | 32.8 | Very low | 121 Ų | 121 | 131 Ų | 131 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | trans | 100.5 | 105 | 152.3 | 61 | 0 | 0 | 0 | 0 | 120.6 | | |
| 126 | S | 30.6 | Very low | 33.1 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | 57.6 | 137.7 | 135.3 | 62.1 | 0 | 0 | 0 | 0 | 123 | | |
| 127 | S | 36.5 | Very low | 32.6 | Very low | 126 Ų | 126 | 138 Ų | 138 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | | | trans | 77.9 | 83.3 | 150.5 | -56 | 0 | 0 | 0 | 0 | 117.6 | | |
| 128 | G | 26.5 | Very low | 32.6 | Very low | 77 Ų | 77 | 135.8 Ų | 135.8 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | -136.6 | 135.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 129 | Y | 30.5 | Very low | 32.8 | Very low | 232 Ų | 232 | 136.5 Ų | 136.5 | 91% | 0.91 | 79% | 0.789 | S | S | * | * | | | trans | -48.5 | 160.1 | -170.2 | -123.1 | -114.3 | 0 | 0 | 0 | 119 | | |
| 130 | S | 36.8 | Very low | 32.9 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | | | trans | -53.9 | 154.2 | 169.6 | -169 | 0 | 0 | 0 | 0 | 113.4 | | |
| 131 | P | 42.2 | Very low | 33.1 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | | -147.1 | 159.1 | 104.6 | 38.6 | -24.1 | 0 | 0 | 0 | 117.3 | | |
| 132 | R | 30 | Very low | 33.4 | Very low | 228 Ų | 228 | 141.8 Ų | 141.8 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | 99.9 | 135.7 | 135.6 | -126.1 | -179.8 | -165.6 | -176.3 | 3.5 | 121.3 | | |
| 133 | S | 30.2 | Very low | 33.6 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | | | trans | 73.5 | 129 | 151.7 | 19.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 134 | A | 38.1 | Very low | 34 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | trans | -79.1 | 127.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 135 | H | 35.1 | Very low | 34.4 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | trans | -137.2 | 133.9 | 151.7 | -90.4 | -82.5 | 0 | 0 | 0 | 109.8 | | |
| 136 | Q | 37.9 | Very low | 34.9 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | 7.3 | 116.8 | 154.2 | -64 | 146.7 | -57.5 | 0 | 0 | 117.5 | | |
| 137 | Y | 29.1 | Very low | 35 | Very low | 236 Ų | 236 | 148.7 Ų | 148.7 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | | | trans | -141.1 | 137.7 | 139 | -105.9 | -79.2 | 0 | 0 | 0 | 111.3 | | |
| 138 | S | 33.1 | Very low | 35.4 | Very low | 101 Ų | 101 | 148.5 Ų | 148.5 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | | | trans | -71.1 | 159.8 | -176.3 | -33.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 139 | P | 36.5 | Very low | 36 | Very low | 116 Ų | 116 | 153.4 Ų | 153.4 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | | | trans | -64.4 | 137.2 | 170.8 | 28.3 | -34.8 | 0 | 0 | 0 | 111.1 | L141 | P139-L141 PolarHBondContact O-N 3.15Š|
| 140 | S | 33.2 | Very low | 36.5 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -68.7 | 112.2 | 174.1 | -54.3 | 0 | 0 | 0 | 0 | 110.3 | Y142 | S140-Y142 PolarHBondContact O-N 3.5Š|
| 141 | L | 37.2 | Very low | 36.6 | Very low | 161 Ų | 161 | 153.4 Ų | 153.4 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | -64.1 | 134 | 167.4 | -73.6 | 98.3 | 0 | 0 | 0 | 109.9 | P139 | P139-L141 PolarHBondContact O-N 3.15Š|
| 142 | Y | 35.4 | Very low | 36.4 | Very low | 221 Ų | 221 | 153.3 Ų | 153.3 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | | | trans | -63.1 | 134.8 | 165.7 | -93.9 | -99.6 | 0 | 0 | 0 | 110.1 | S140 S144 | S140-Y142 PolarHBondContact O-N 3.5Å; Y142-S144 PolarHBondContact O-N 3.01Å |
| 143 | P | 36.4 | Very low | 36.9 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | | | trans | -72.3 | 110.1 | 169 | -11.9 | 27.3 | 0 | 0 | 0 | 109.9 | K145 | P143-K145 PolarHBondContact O-N 3.49Š|
| 144 | S | 36.8 | Very low | 37.7 | Very low | 116 Ų | 116 | 148.9 Ų | 148.9 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 121.8 | 167 | 44.1 | 0 | 0 | 0 | 0 | 109.8 | Y142 | Y142-S144 PolarHBondContact O-N 3.01Š|
| 145 | K | 40.5 | Very low | 38.1 | Very low | 192 Ų | 192 | 150.4 Ų | 150.4 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 134.1 | 172.7 | -67 | 176.8 | 179.8 | 175.2 | 0 | 109.2 | P143 | P143-K145 PolarHBondContact O-N 3.49Š|
| 146 | P | 40.2 | Very low | 38.7 | Very low | 121 Ų | 121 | 147 Ų | 147 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 139.8 | 173.2 | 28.7 | -33 | 0 | 0 | 0 | 110.7 | | |
| 147 | Y | 33.7 | Very low | 39.2 | Very low | 209 Ų | 209 | 144.9 Ų | 144.9 | 82% | 0.82 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 144.5 | 170.5 | -91.1 | -102.2 | 0 | 0 | 0 | 110.8 | H149 | Y147-H149 PolarHBondContact O-N 3.43Š|
| 148 | P | 44.6 | Very low | 40 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 122.9 | 169.8 | 29.2 | -32.2 | 0 | 0 | 0 | 109.7 | | |
| 149 | H | 39.7 | Very low | 40.7 | Very low | 180 Ų | 180 | 141.5 Ų | 141.5 | 83% | 0.833 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 148.5 | 171.4 | -67.6 | -76.5 | 0 | 0 | 0 | 111 | Y147 L151 | Y147-H149 PolarHBondContact O-N 3.43Å; H149-L151 PolarHBondContact O-N 3.46Å |
| 150 | I | 39.6 | Very low | 41.4 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 127.6 | -175 | -53.9 | 158.8 | 0 | 0 | 0 | 110.2 | S152 | I150-S152 PolarHBondContact O-N 2.83Š|
| 151 | L | 39.2 | Very low | 41.7 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | | | trans | -79.7 | 105.3 | 178.1 | -155.6 | 76 | 0 | 0 | 0 | 109.4 | H149 T153 | H149-L151 PolarHBondContact O-N 3.46Å; L151-T153 PolarHBondContact O-N 3.12Å; L151-T153 VanDerWaalsContact O-N 3.17Å |
| 152 | S | 38.1 | Very low | 41.9 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 117.4 | 175 | -59.1 | 0 | 0 | 0 | 0 | 110.7 | I150 | I150-S152 PolarHBondContact O-N 2.83Š|
| 153 | T | 41.6 | Very low | 42.2 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 135.2 | 175.2 | 42.2 | 0 | 0 | 0 | 0 | 110.8 | L151 | L151-T153 PolarHBondContact O-N 3.12Å; L151-T153 VanDerWaalsContact O-N 3.17Å |
| 154 | P | 46.9 | Very low | 42.9 | Very low | 114 Ų | 114 | 137 Ų | 137 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 144.2 | 171.3 | 29 | -33.5 | 0 | 0 | 0 | 110 | A156 | P154-A156 PolarHBondContact O-N 3.48Š|
| 155 | P | 46.6 | Very low | 43.1 | Very low | 129 Ų | 129 | 140 Ų | 140 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 130.2 | 178.1 | 26.6 | -33.6 | 0 | 0 | 0 | 110.9 | | |
| 156 | A | 46.5 | Very low | 43.3 | Very low | 92 Ų | 92 | 135.7 Ų | 135.7 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 147.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P154 | P154-A156 PolarHBondContact O-N 3.48Š|
| 157 | P | 48.3 | Very low | 43.2 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 142.9 | 174.3 | 27.9 | -34.2 | 0 | 0 | 0 | 111.3 | M159 | P157-M159 PolarHBondContact O-N 3.1Š|
| 158 | A | 46.6 | Very low | 43.5 | Very low | 102 Ų | 102 | 139.1 Ų | 139.1 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 130.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 159 | M | 47.8 | Very low | 43.4 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 145.9 | 171.2 | -67.9 | -72 | -81.3 | 0 | 0 | 110.5 | P157 T161 | P157-M159 PolarHBondContact O-N 3.1Å; M159-T161 PolarHBondContact O-N 3.06Å |
| 160 | P | 50.7 | Low | 43.2 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 124.4 | 179.9 | 26.9 | -33.5 | 0 | 0 | 0 | 111.8 | | |
| 161 | T | 39.7 | Very low | 42.9 | Very low | 137 Ų | 137 | 137 Ų | 137 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 126.9 | 177.1 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | M159 | M159-T161 PolarHBondContact O-N 3.06Š|
| 162 | Y | 40.5 | Very low | 42.8 | Very low | 223 Ų | 223 | 138 Ų | 138 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 135.3 | 168.3 | -159.6 | -91 | 0 | 0 | 0 | 110 | G164 | Y162-G164 PolarHBondContact O-N 3.09Š|
| 163 | A | 41.5 | Very low | 42.6 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -72.3 | 123 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 164 | G | 52.9 | Low | 42.1 | Very low | 65 Ų | 65 | 141.3 Ų | 141.3 | 67% | 0.67 | 82% | 0.821 | S | S | * | * | | | trans | 152 | 14.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | Y162 | Y162-G164 PolarHBondContact O-N 3.09Š|
| 165 | Q | 40 | Very low | 41.4 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | | | trans | -135 | 142.8 | 176.6 | -76.8 | -63.5 | -66.2 | 0 | 0 | 113.1 | | |
| 166 | P | 44.8 | Very low | 40.7 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 66% | 0.656 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 146.8 | -179.6 | 31.5 | -34.3 | 0 | 0 | 0 | 112.5 | | |
| 167 | Q | 38.6 | Very low | 39.8 | Very low | 198 Ų | 198 | 148.4 Ų | 148.4 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 129.6 | -178.9 | -65.7 | 170.6 | -79.1 | 0 | 0 | 111.9 | | |
| 168 | F | 40.3 | Very low | 39.2 | Very low | 205 Ų | 205 | 148.4 Ų | 148.4 | 90% | 0.899 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -89 | 138.3 | 161.1 | -85.1 | -89.2 | 0 | 0 | 0 | 110.7 | | |
| 169 | S | 41.5 | Very low | 38.3 | Very low | 120 Ų | 120 | 148.5 Ų | 148.5 | 84% | 0.839 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 135.1 | 179.4 | -57.2 | 0 | 0 | 0 | 0 | 112 | M171 | S169-M171 PolarHBondContact O-N 2.95Š|
| 170 | S | 35.5 | Very low | 37.4 | Very low | 119 Ų | 119 | 150.9 Ų | 150.9 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -62 | 123 | 177.6 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 171 | M | 33.6 | Very low | 36.7 | Very low | 184 Ų | 184 | 150.6 Ų | 150.6 | 91% | 0.906 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 146.2 | 162.2 | -77.6 | -141.5 | 69.8 | 0 | 0 | 111 | S169 | S169-M171 PolarHBondContact O-N 2.95Š|
| 172 | Q | 37.6 | Very low | 36.3 | Very low | 186 Ų | 186 | 153 Ų | 153 | 87% | 0.869 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -67 | 143.5 | -179.5 | -67.4 | -176.8 | -66.5 | 0 | 0 | 111.8 | | |
| 173 | Q | 33.2 | Very low | 36 | Very low | 191 Ų | 191 | 149 Ų | 149 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 135.4 | 164.9 | -74.1 | 175.9 | -25.8 | 0 | 0 | 110.3 | | |
| 174 | S | 30 | Very low | 35.7 | Very low | 118 Ų | 118 | 147.6 Ų | 147.6 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 135.6 | 171 | -67.4 | 0 | 0 | 0 | 0 | 111.3 | V176 | S174-V176 PolarHBondContact O-N 3.02Š|
| 175 | T | 33.3 | Very low | 34.6 | Very low | 133 Ų | 133 | 153.6 Ų | 153.6 | 82% | 0.816 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -64 | 123.5 | 178.9 | -48.9 | 0 | 0 | 0 | 0 | 111.5 | Y177 | T175-Y177 PolarHBondContact O-N 2.92Š|
| 176 | V | 32.1 | Very low | 34.2 | Very low | 131 Ų | 131 | 149 Ų | 149 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 128.1 | 171.6 | 178 | 0 | 0 | 0 | 0 | 109.7 | S174 T178 | S174-V176 PolarHBondContact O-N 3.02Å; V176-T178 PolarHBondContact O-N 2.85Å |
| 177 | Y | 27.6 | Very low | 33.6 | Very low | 220 Ų | 220 | 155.6 Ų | 155.6 | 86% | 0.863 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 127.2 | 175.9 | -106.1 | -96.6 | 0 | 0 | 0 | 111.4 | T175 | T175-Y177 PolarHBondContact O-N 2.92Š|
| 178 | T | 36.4 | Very low | 33.2 | Very low | 122 Ų | 122 | 150 Ų | 150 | 75% | 0.748 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 120.4 | 170 | 19.8 | 0 | 0 | 0 | 0 | 110.8 | V176 Y180 | V176-T178 PolarHBondContact O-N 2.85Å; T178-Y180 PolarHBondContact O-N 3.27Å |
| 179 | A | 27.1 | Very low | 32.8 | Very low | 104 Ų | 104 | 148.9 Ų | 148.9 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 123.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 180 | Y | 29 | Very low | 32.1 | Very low | 214 Ų | 214 | 147.4 Ų | 147.4 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 124.6 | 172.6 | -87.4 | -94.3 | 0 | 0 | 0 | 110.9 | T178 | T178-Y180 PolarHBondContact O-N 3.27Š|
| 181 | S | 35.2 | Very low | 31.8 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 125.3 | 166.8 | 44.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 182 | Q | 31 | Very low | 31.9 | Very low | 188 Ų | 188 | 148.3 Ų | 148.3 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | | | trans | -117.5 | 128.3 | 168.2 | -85.5 | -164.2 | 76 | 0 | 0 | 111.7 | | |
| 183 | T | 34.5 | Very low | 31.7 | Very low | 138 Ų | 138 | 146.3 Ų | 146.3 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | | | trans | -81.3 | 131.4 | 172.8 | 49.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 184 | G | 35.3 | Very low | 31.7 | Very low | 66 Ų | 66 | 145.2 Ų | 145.2 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | | | trans | -76.2 | 152.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 185 | Q | 30.1 | Very low | 31.8 | Very low | 190 Ų | 190 | 143 Ų | 143 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | | | trans | -144.2 | 150 | 150 | -74.5 | -55.9 | -28.1 | 0 | 0 | 108.8 | | |
| 186 | A | 31.8 | Very low | 31.9 | Very low | 81 Ų | 81 | 143.1 Ų | 143.1 | 67% | 0.669 | 81% | 0.808 | S | S | * | * | | | trans | -118.6 | 133 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 187 | Y | 32 | Very low | 32 | Very low | 240 Ų | 240 | 145.8 Ų | 145.8 | 94% | 0.941 | 82% | 0.815 | S | S | * | * | | | trans | -167.2 | 143.9 | 158.6 | -89.7 | -64.4 | 0 | 0 | 0 | 111.9 | | |
| 188 | G | 30.4 | Very low | 32.6 | Very low | 80 Ų | 80 | 142.6 Ų | 142.6 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | 94.2 | 117.1 | 143.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 189 | L | 31.9 | Very low | 33.1 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | | | trans | -79.4 | 148.6 | 168.5 | -64.9 | 163.4 | 0 | 0 | 0 | 111.7 | | |
| 190 | S | 27.3 | Very low | 33.4 | Very low | 88 Ų | 88 | 141.3 Ų | 141.3 | 62% | 0.615 | 81% | 0.81 | S | S | * | * | | | trans | -149.8 | 130.8 | 145.9 | -173 | 0 | 0 | 0 | 0 | 111.1 | | |
| 191 | T | 29.5 | Very low | 33.8 | Very low | 120 Ų | 120 | 139 Ų | 139 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | | | trans | -72.5 | 132.8 | 177.9 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | D193 | T191-D193 HydrophobicContact CG2-CB 4.4Š|
| 192 | Y | 35.5 | Very low | 33.5 | Very low | 202 Ų | 202 | 142.5 Ų | 142.5 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | | | trans | -127.1 | 96.5 | 158.6 | -60.7 | -73.8 | 0 | 0 | 0 | 108.2 | | |
| 193 | D | 31.6 | Very low | 33.5 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | | | trans | -79.7 | 121.1 | 172.2 | 177.3 | 21.4 | 0 | 0 | 0 | 108.6 | T191 | T191-D193 HydrophobicContact CG2-CB 4.4Š|
| 194 | L | 34.3 | Very low | 33.5 | Very low | 168 Ų | 168 | 142 Ų | 142 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | | | trans | -145.1 | 100 | 179.5 | -144 | 104.1 | 0 | 0 | 0 | 112 | | |
| 195 | G | 32.8 | Very low | 33.1 | Very low | 71 Ų | 71 | 144.3 Ų | 144.3 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | | | trans | 90.4 | 75.3 | 146.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 196 | V | 35.4 | Very low | 32.9 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | | | trans | -120.5 | 111 | 151.1 | -166.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 197 | M | 33.3 | Very low | 32.9 | Very low | 187 Ų | 187 | 145.8 Ų | 145.8 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | | | trans | -90.6 | 111.7 | -175.8 | -169.1 | 172.4 | 72.1 | 0 | 0 | 110.2 | | |
| 198 | L | 40.8 | Very low | 32.9 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 80% | 0.801 | 82% | 0.821 | S | S | * | * | | | trans | -104.7 | 134.6 | 174.4 | -85.5 | 168.3 | 0 | 0 | 0 | 111.2 | | |
| 199 | P | 46.5 | Very low | 32.8 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 134.3 | -179.7 | -16.5 | 31.1 | 0 | 0 | 0 | 112.8 | | |
| 200 | G | 32.8 | Very low | 32.6 | Very low | 76 Ų | 76 | 141.9 Ų | 141.9 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 127.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 201 | I | 38.2 | Very low | 32.7 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -75 | 126.9 | 165.6 | 32.6 | 173 | 0 | 0 | 0 | 110.2 | | |
| 202 | K | 28.5 | Very low | 32.7 | Very low | 193 Ų | 193 | 146.2 Ų | 146.2 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -82 | 132.7 | 172.5 | -62.3 | 177.7 | -178.7 | 178.8 | 0 | 108.8 | | |
| 203 | T | 31.7 | Very low | 32.9 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | | | trans | -115.1 | 114.4 | 172.1 | -49.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 204 | E | 33.7 | Very low | 33 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | | | trans | -101.1 | 142.1 | 173.9 | 54.5 | -155.6 | 108.6 | 0 | 0 | 111.1 | | |
| 205 | S | 27.9 | Very low | 32.8 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | | | trans | -89.5 | 136.3 | -167.2 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 206 | S | 25.9 | Very low | 32.8 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | | | trans | -157.8 | 143 | 154.4 | -82.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 207 | L | 31.7 | Very low | 32.6 | Very low | 171 Ų | 171 | 143.5 Ų | 143.5 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | | | trans | -108.8 | 142.5 | -172 | -75.4 | 143.9 | 0 | 0 | 0 | 111.9 | | |
| 208 | T | 31.8 | Very low | 32.5 | Very low | 136 Ų | 136 | 143.2 Ų | 143.2 | 83% | 0.834 | 83% | 0.826 | S | S | * | * | | | trans | -160 | 112.8 | 140.2 | 42.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 209 | Q | 27.4 | Very low | 31.9 | Very low | 184 Ų | 184 | 140.7 Ų | 140.7 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | | | | 53 | 107.3 | 128.7 | -165.2 | 174.8 | 65.3 | 0 | 0 | 121.9 | | |
| 210 | S | 29.3 | Very low | 31.1 | Very low | 102 Ų | 102 | 145.9 Ų | 145.9 | 71% | 0.713 | 83% | 0.827 | S | S | * | * | | | | 168.9 | 149.2 | 99.4 | 65.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 211 | Q | 29.3 | Very low | 31.1 | Very low | 190 Ų | 190 | 147.7 Ų | 147.7 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | | | trans | 38.7 | 140.9 | 154.3 | -59.2 | -174.6 | 27.5 | 0 | 0 | 120.5 | | |
| 212 | S | 29.1 | Very low | 31.3 | Very low | 108 Ų | 108 | 146.1 Ų | 146.1 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | | | cis | -163 | 172.9 | 9.3 | 43.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 213 | P | 38.7 | Very low | 31.4 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | | | trans | -99 | 161.1 | -153 | 38.5 | -36.6 | 0 | 0 | 0 | 116.7 | | |
| 214 | L | 33.2 | Very low | 31.3 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | | | trans | -157.5 | 160.9 | 149.5 | -104.5 | 158.6 | 0 | 0 | 0 | 110.7 | | |
| 215 | Q | 31.3 | Very low | 31.1 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | | | trans | -73.6 | 166.2 | -168.4 | -60.8 | 159.8 | -35 | 0 | 0 | 112.3 | | |
| 216 | T | 32.3 | Very low | 31.5 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | | | cis | -162.1 | 176.3 | 41.8 | -10 | 0 | 0 | 0 | 0 | 111.3 | | |
| 217 | G | 30.5 | Very low | 32.2 | Very low | 67 Ų | 67 | 141.6 Ų | 141.6 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | | | trans | -68.2 | -172.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 218 | L | 31.8 | Very low | 32 | Very low | 181 Ų | 181 | 142 Ų | 142 | 95% | 0.948 | 81% | 0.814 | S | S | * | * | | | cis | -148.1 | 159.8 | 27 | -74.5 | 162.8 | 0 | 0 | 0 | 113 | | |
| 219 | S | 27.8 | Very low | 32.7 | Very low | 99 Ų | 99 | 141.1 Ų | 141.1 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | | | trans | -95.1 | 142 | 178.1 | 52.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 220 | Y | 31.5 | Very low | 32.7 | Very low | 231 Ų | 231 | 135.4 Ų | 135.4 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | | | trans | -155.7 | 126.7 | 148.7 | -90.8 | -69.4 | 0 | 0 | 0 | 112.4 | | |
| 221 | S | 31.1 | Very low | 32.7 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | -125.7 | 149.2 | 158.1 | -65.8 | 0 | 0 | 0 | 0 | 108 | | |
| 222 | P | 43.7 | Very low | 32.7 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | | | | -142.9 | 172.6 | 105.1 | 36.1 | -20.9 | 0 | 0 | 0 | 112 | | |
| 223 | G | 29.5 | Very low | 32.6 | Very low | 63 Ų | 63 | 134.7 Ų | 134.7 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | | | cis | 144.3 | 125.9 | -2.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 224 | F | 30.2 | Very low | 32.1 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 90% | 0.899 | 80% | 0.802 | S | S | * | * | | | trans | 66 | 154.8 | 172.7 | -71.4 | -96.5 | 0 | 0 | 0 | 116.7 | | |
| 225 | T | 29.4 | Very low | 32 | Very low | 129 Ų | 129 | 137 Ų | 137 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | cis | -141.6 | 167 | 27 | 50.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 226 | T | 35.7 | Very low | 32.8 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -117.7 | 159.4 | 161 | 52.3 | 0 | 0 | 0 | 0 | 110 | | |
| 227 | P | 41.3 | Very low | 32.8 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | | -148 | 170.3 | 106.9 | 35.7 | -17.4 | 0 | 0 | 0 | 117.2 | | |
| 228 | Q | 27.6 | Very low | 32.7 | Very low | 178 Ų | 178 | 141 Ų | 141 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -90.6 | -166.7 | 176.4 | -112.6 | -171 | 5.5 | 0 | 0 | 112 | | |
| 229 | P | 45.5 | Very low | 32.8 | Very low | 118 Ų | 118 | 141 Ų | 141 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | | | cis | -138.2 | -179.7 | -33.9 | 36.1 | -17.4 | 0 | 0 | 0 | 115.1 | | |
| 230 | G | 28.9 | Very low | 33.3 | Very low | 65 Ų | 65 | 141.4 Ų | 141.4 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | | | trans | 162.8 | 112.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 231 | Q | 28.1 | Very low | 33.3 | Very low | 186 Ų | 186 | 134.3 Ų | 134.3 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | | | | 66.3 | 120.5 | 80.3 | -63.2 | -92.7 | 49.7 | 0 | 0 | 111.9 | | |
| 232 | T | 29.7 | Very low | 33.3 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | | | cis | -158.7 | 159.5 | 22.7 | 51.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 233 | A | 26.9 | Very low | 32.7 | Very low | 79 Ų | 79 | 133.5 Ų | 133.5 | 65% | 0.653 | 78% | 0.782 | S | S | * | * | | | trans | 38.3 | 126.1 | 146.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 234 | Y | 29.1 | Very low | 32.8 | Very low | 227 Ų | 227 | 139.1 Ų | 139.1 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | | | | -164 | 164.6 | 67 | -103.3 | -90.9 | 0 | 0 | 0 | 112.4 | | |
| 235 | S | 30.6 | Very low | 33.1 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | -153.6 | 153.9 | 172 | -82 | 0 | 0 | 0 | 0 | 107.5 | | |
| 236 | P | 48.3 | Very low | 33.9 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | | | | -158.2 | -171.7 | 70.8 | 36.9 | -11.7 | 0 | 0 | 0 | 118.2 | | |
| 237 | Y | 31.2 | Very low | 33.6 | Very low | 194 Ų | 194 | 133.8 Ų | 133.8 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | | | trans | 68.9 | 105.1 | 171.9 | -75.2 | -93 | 0 | 0 | 0 | 117.5 | | |
| 238 | Q | 28.5 | Very low | 33.3 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | | 77.5 | 116 | 62.6 | -74.5 | -172.3 | -13.2 | 0 | 0 | 114.8 | | |
| 239 | M | 33.4 | Very low | 33.5 | Very low | 181 Ų | 181 | 128.5 Ų | 128.5 | 89% | 0.892 | 78% | 0.778 | S | S | * | * | | | | -155.9 | 156.7 | 119.1 | -90.8 | -53.6 | -85.9 | 0 | 0 | 109.3 | | |
| 240 | P | 38.6 | Very low | 33.2 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | | | trans | -114.2 | 148.2 | -160.7 | 38.9 | -29.1 | 0 | 0 | 0 | 116.6 | | |
| 241 | G | 31.3 | Very low | 33.4 | Very low | 81 Ų | 81 | 138.6 Ų | 138.6 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | 44.1 | 124.4 | 133.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 242 | S | 31.8 | Very low | 33.5 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | | | trans | -132.4 | 151.6 | 143.4 | 78.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 243 | S | 30.4 | Very low | 33.6 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | -146.9 | 127.9 | -170.8 | -78.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 244 | F | 32.7 | Very low | 33.7 | Very low | 182 Ų | 182 | 138.7 Ų | 138.7 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | | | trans | 52.9 | 100.2 | 145.1 | -69.3 | -84.7 | 0 | 0 | 0 | 119.5 | | |
| 245 | T | 35.1 | Very low | 34.2 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | | 94 | -177.5 | 86.6 | 62.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 246 | P | 46.9 | Very low | 34.2 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | | -127.9 | 169.2 | -107.7 | 33.9 | -12.1 | 0 | 0 | 0 | 115.5 | | |
| 247 | S | 30.1 | Very low | 33.4 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | -178 | 140.7 | 146.8 | -164.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 248 | S | 34.7 | Very low | 33.3 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | | | trans | -1 | 150.2 | 152.2 | -48.5 | 0 | 0 | 0 | 0 | 123.8 | | |
| 249 | G | 32.6 | Very low | 33.5 | Very low | 77 Ų | 77 | 131.3 Ų | 131.3 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | | | trans | -162.4 | 129.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 250 | L | 38 | Very low | 34.2 | Very low | 161 Ų | 161 | 128.5 Ų | 128.5 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | -109.2 | 133.2 | -179.5 | -68.9 | 154.3 | 0 | 0 | 0 | 111 | | |
| 251 | Y | 34.3 | Very low | 33.9 | Very low | 234 Ų | 234 | 126.6 Ų | 126.6 | 92% | 0.918 | 79% | 0.793 | S | S | * | * | | | trans | -156.3 | 121.1 | 155.3 | -71.4 | -66.7 | 0 | 0 | 0 | 107.8 | | |
| 252 | A | 29.7 | Very low | 33.9 | Very low | 94 Ų | 94 | 129.3 Ų | 129.3 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | | | | 100.1 | 106.5 | 58.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 253 | T | 31.3 | Very low | 33.8 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | -75.1 | 150.4 | -179.4 | -43.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 254 | N | 29.6 | Very low | 33.8 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -148.2 | 147.3 | 155.3 | -145 | -45.9 | 0 | 0 | 0 | 112.3 | | |
| 255 | N | 38.1 | Very low | 33.7 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | | | trans | -138.1 | 124.2 | 179 | 171.4 | 13.1 | 0 | 0 | 0 | 107.8 | | |
| 256 | S | 30.7 | Very low | 33.5 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | -160.2 | 146 | 156.4 | 38.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 257 | V | 31.8 | Very low | 32.8 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | | | trans | -77.8 | 142.7 | -173.1 | 171 | 0 | 0 | 0 | 0 | 112.1 | | |
| 258 | S | 30.5 | Very low | 32.9 | Very low | 123 Ų | 123 | 134 Ų | 134 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | -160.3 | 123.2 | 152.5 | -78.2 | 0 | 0 | 0 | 0 | 111 | | |
| 259 | N | 31.8 | Very low | 32.6 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | trans | -102.9 | 147.6 | 169 | -165 | 18.5 | 0 | 0 | 0 | 108.3 | | |
| 260 | P | 47.9 | Very low | 32.5 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | | | | -143.6 | 162.9 | 108.7 | 36.5 | -21.8 | 0 | 0 | 0 | 115.1 | | |
| 261 | A | 33.2 | Very low | 32.6 | Very low | 68 Ų | 68 | 138.9 Ų | 138.9 | 56% | 0.562 | 78% | 0.778 | S | S | * | * | | | trans | -75 | 152.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 262 | N | 30.6 | Very low | 32.4 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | | | | 168.5 | 138 | 106.6 | -90.4 | -44.8 | 0 | 0 | 0 | 116 | | |
| 263 | Y | 30.6 | Very low | 32.4 | Very low | 199 Ų | 199 | 137.1 Ų | 137.1 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | | | trans | 59.9 | 110.2 | 142.1 | -81.1 | -74.4 | 0 | 0 | 0 | 125 | | |
| 264 | T | 29.6 | Very low | 32.4 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | 74.9 | 142.1 | 132.5 | 24.4 | 0 | 0 | 0 | 0 | 125.1 | | |
| 265 | A | 30.5 | Very low | 32.4 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 79% | 0.793 | 76% | 0.758 | S | S | * | * | | | trans | 80.7 | 100.6 | 146.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 266 | T | 30.2 | Very low | 32 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | | | trans | -92.9 | 134.9 | 160 | 45.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 267 | Q | 33.3 | Very low | 32.2 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | | | trans | -149.1 | 124.3 | 174.4 | -106.3 | -90.6 | 91.4 | 0 | 0 | 108.4 | | |
| 268 | Q | 32.6 | Very low | 32.2 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | | | trans | 64.5 | 156.8 | 163 | -48.6 | -59.4 | -26.6 | 0 | 0 | 115.9 | | |
| 269 | D | 28.4 | Very low | 32.2 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | | | cis | -151.8 | 166.6 | 5.1 | -139 | -42.1 | 0 | 0 | 0 | 111.4 | | |
| 270 | Y | 30.4 | Very low | 32.2 | Very low | 195 Ų | 195 | 139.6 Ų | 139.6 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | | | trans | -88.3 | 161.1 | 177.5 | -130.8 | -92 | 0 | 0 | 0 | 111.7 | S272 | Y270-S272 VanDerWaalsContact CD1-OG 3.32Å; Y270-S272 WeakPolarHBondContact CD1-OG 3.47Å; Y270-S272 WeakPolarHBondContact CE1-OG 3.45Å |
| 271 | P | 39.7 | Very low | 31.3 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | | | trans | -135.9 | 129.4 | 139.4 | 20.5 | -0.6 | 0 | 0 | 0 | 113.9 | | |
| 272 | S | 30 | Very low | 31.2 | Very low | 86 Ų | 86 | 146 Ų | 146 | 60% | 0.601 | 77% | 0.767 | S | S | * | * | | | trans | -113.6 | 143.4 | 176.9 | -68.7 | 0 | 0 | 0 | 0 | 112.3 | Y270 | Y270-S272 VanDerWaalsContact CD1-OG 3.32Å; Y270-S272 WeakPolarHBondContact CD1-OG 3.47Å; Y270-S272 WeakPolarHBondContact CE1-OG 3.45Å |
| 273 | Y | 30.5 | Very low | 31.1 | Very low | 205 Ų | 205 | 148.6 Ų | 148.6 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | 146 | 132.4 | 142.6 | -98.7 | -96.6 | 0 | 0 | 0 | 111 | | |
| 274 | T | 30.4 | Very low | 31.1 | Very low | 140 Ų | 140 | 149.2 Ų | 149.2 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | | -161.5 | 169.4 | 74.8 | 37.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 275 | T | 30.5 | Very low | 31.2 | Very low | 112 Ų | 112 | 154.2 Ų | 154.2 | 69% | 0.687 | 78% | 0.783 | S | S | * | * | | | trans | -128 | 143.2 | -163.5 | -89.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 276 | F | 28.8 | Very low | 31.2 | Very low | 214 Ų | 214 | 154.5 Ų | 154.5 | 94% | 0.939 | 78% | 0.779 | S | S | * | * | | | trans | -170.5 | 141.8 | 145.8 | -94.4 | -68 | 0 | 0 | 0 | 109.9 | | |
| 277 | G | 35.6 | Very low | 31.2 | Very low | 63 Ų | 63 | 153 Ų | 153 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | | | cis | 152.4 | 69.1 | -17.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 278 | Q | 30.5 | Very low | 31 | Very low | 171 Ų | 171 | 151.2 Ų | 151.2 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | | | trans | -142.7 | 107.3 | 173.6 | -91.4 | -71.3 | -3.6 | 0 | 0 | 115 | | |
| 279 | N | 30.6 | Very low | 31 | Very low | 126 Ų | 126 | 150.6 Ų | 150.6 | 67% | 0.674 | 78% | 0.783 | S | S | * | * | | | trans | 33.5 | 116.6 | 148.2 | -69.1 | -65.9 | 0 | 0 | 0 | 125.6 | | |
| 280 | Q | 32.5 | Very low | 31.2 | Very low | 162 Ų | 162 | 155.2 Ų | 155.2 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | | | | 56.6 | 106.8 | 116.8 | -58.1 | -74.1 | 29.9 | 0 | 0 | 121.6 | | |
| 281 | Y | 29.3 | Very low | 31.2 | Very low | 242 Ų | 242 | 149.2 Ų | 149.2 | 95% | 0.949 | 79% | 0.789 | S | S | * | * | | | | -151.4 | 156.6 | 127.6 | -103.1 | -76.1 | 0 | 0 | 0 | 110.2 | | |
| 282 | A | 30 | Very low | 30.7 | Very low | 83 Ų | 83 | 148.8 Ų | 148.8 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | | | trans | -82.1 | 140.8 | -161 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 283 | Q | 29.1 | Very low | 30.8 | Very low | 191 Ų | 191 | 154.6 Ų | 154.6 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | | | trans | -80.3 | 115.1 | 167.8 | -76.1 | -78.7 | -50.6 | 0 | 0 | 110.5 | | |
| 284 | Y | 31.1 | Very low | 30.8 | Very low | 212 Ų | 212 | 153.2 Ų | 153.2 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | | | trans | -98.6 | 101 | 162.7 | -97.5 | -96.9 | 0 | 0 | 0 | 108.5 | | |
| 285 | Y | 31.6 | Very low | 30.7 | Very low | 233 Ų | 233 | 152.8 Ų | 152.8 | 91% | 0.914 | 80% | 0.8 | S | S | * | * | | | trans | -172.4 | 144.3 | 138.6 | -94.8 | -63.3 | 0 | 0 | 0 | 108.7 | | |
| 286 | S | 29.5 | Very low | 30.7 | Very low | 102 Ų | 102 | 152.1 Ų | 152.1 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | | | trans | -104.2 | 137.1 | -170.9 | -170.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 287 | P | 30.2 | Very low | 30.6 | Very low | 114 Ų | 114 | 148.8 Ų | 148.8 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | | | trans | -79.3 | 120.6 | 171.5 | 31.3 | -31.4 | 0 | 0 | 0 | 110.4 | T289 | P287-T289 PolarHBondContact O-N 3.26Š|
| 288 | S | 30 | Very low | 30.5 | Very low | 119 Ų | 119 | 150.9 Ų | 150.9 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | -88.1 | 107.1 | 176.4 | -68.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 289 | T | 33.2 | Very low | 30.8 | Very low | 126 Ų | 126 | 149.7 Ų | 149.7 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | -86 | 133.9 | 165.3 | -60.6 | 0 | 0 | 0 | 0 | 109.8 | P287 | P287-T289 PolarHBondContact O-N 3.26Š|
| 290 | Y | 31 | Very low | 30.9 | Very low | 236 Ų | 236 | 151.5 Ų | 151.5 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | | | trans | -138.4 | 138.8 | 159.1 | -110.1 | -88.2 | 0 | 0 | 0 | 110.6 | | |
| 291 | G | 31.8 | Very low | 30.8 | Very low | 70 Ų | 70 | 146.8 Ų | 146.8 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | | | trans | -112.5 | 175.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 292 | S | 29 | Very low | 31 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | trans | -85.4 | 140.1 | 176.7 | -48.5 | 0 | 0 | 0 | 0 | 113 | | |
| 293 | Y | 30.9 | Very low | 30.9 | Very low | 208 Ų | 208 | 141.7 Ų | 141.7 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | | | trans | -171.1 | 156.7 | 134.7 | 42 | -115.7 | 0 | 0 | 0 | 115.2 | | |
| 294 | M | 31.6 | Very low | 31 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 86% | 0.862 | 80% | 0.804 | S | S | * | * | | | trans | 101.3 | 138.8 | 159.6 | -58.6 | -59.7 | 159.3 | 0 | 0 | 120.1 | | |
| 295 | T | 28.7 | Very low | 31.1 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -113.5 | 146.9 | -161.9 | -57.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 296 | S | 28.7 | Very low | 31.1 | Very low | 98 Ų | 98 | 128.8 Ų | 128.8 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | | | | 155.1 | 152.3 | 112.9 | -138.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 297 | N | 28.5 | Very low | 31.1 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | | | trans | 79.2 | 91.6 | 153.5 | -69.1 | 19.1 | 0 | 0 | 0 | 122.1 | | |
| 298 | S | 33 | Very low | 31 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | | | | 24.3 | 123.8 | 111.6 | -173.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 299 | V | 36.5 | Very low | 30.9 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | | | | -139.8 | 143.4 | 129.6 | -75.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 300 | D | 32 | Very low | 30.9 | Very low | 164 Ų | 164 | 139.3 Ų | 139.3 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | | | trans | -68.5 | 165.5 | 177.1 | -91 | -54.9 | 0 | 0 | 0 | 113.8 | | |
| 301 | G | 30.6 | Very low | 30.7 | Very low | 63 Ų | 63 | 136.5 Ų | 136.5 | 65% | 0.649 | 81% | 0.813 | S | S | * | * | | | trans | 163.3 | 49.4 | 152.4 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 302 | T | 33.1 | Very low | 30.6 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 95% | 0.945 | 82% | 0.819 | S | S | * | * | | | trans | 68.2 | 138.2 | 156 | -0.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 303 | G | 29.7 | Very low | 30.8 | Very low | 64 Ų | 64 | 140.6 Ų | 140.6 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | | | trans | -121.9 | -173.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 304 | S | 30 | Very low | 30.7 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | | | trans | -161.4 | 130.6 | 157.3 | -83.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 305 | T | 32.9 | Very low | 31.1 | Very low | 146 Ų | 146 | 133.2 Ų | 133.2 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | | | trans | -83.8 | 130.9 | 167.5 | 48.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 306 | A | 32.3 | Very low | 31 | Very low | 88 Ų | 88 | 131.9 Ų | 131.9 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | | | trans | -113.7 | 110.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 307 | A | 29 | Very low | 31 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 132 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 308 | Y | 28.7 | Very low | 30.9 | Very low | 227 Ų | 227 | 135.5 Ų | 135.5 | 89% | 0.89 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 118.5 | 171.1 | -71.3 | -84.6 | 0 | 0 | 0 | 109.4 | | |
| 309 | Q | 28.2 | Very low | 30.7 | Very low | 180 Ų | 180 | 134 Ų | 134 | 84% | 0.841 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 129 | 167.5 | -72.2 | -178.1 | -7.6 | 0 | 0 | 109.3 | | |
| 310 | L | 31.8 | Very low | 30.3 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 92% | 0.921 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -76 | 145.9 | 161.3 | -109.1 | 78 | 0 | 0 | 0 | 109.5 | | |
| 311 | Q | 28.6 | Very low | 29.9 | Very low | 177 Ų | 177 | 134 Ų | 134 | 83% | 0.827 | 84% | 0.835 | S | S | * | * | | | trans | -112.8 | 118.9 | 179.7 | -171.6 | 78.3 | 45.5 | 0 | 0 | 109.3 | | |
| 312 | D | 28.8 | Very low | 30 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 83% | 0.829 | 85% | 0.845 | S | S | * | * | | | trans | -72.6 | 149.2 | 175.6 | -94 | -45.3 | 0 | 0 | 0 | 113 | | |
| 313 | P | 34.1 | Very low | 29.7 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 78% | 0.779 | 84% | 0.837 | S | S | * | * | | | trans | -91.6 | 161.9 | 176.3 | 36.9 | -34.5 | 0 | 0 | 0 | 113.6 | | |
| 314 | A | 28.9 | Very low | 29.8 | Very low | 97 Ų | 97 | 141.4 Ų | 141.4 | 80% | 0.802 | 85% | 0.847 | S | S | * | * | | | trans | -124.5 | 157.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 315 | P | 39.6 | Very low | 29.9 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 85% | 0.851 | 84% | 0.837 | S | S | * | * | | | trans | -101.3 | 165.1 | -151.2 | 38.3 | -37.1 | 0 | 0 | 0 | 115.8 | | |
| 316 | A | 25.7 | Very low | 30.2 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | | | trans | -138.4 | 141.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 317 | M | 28.5 | Very low | 30.1 | Very low | 176 Ų | 176 | 140 Ų | 140 | 87% | 0.867 | 83% | 0.827 | S | S | * | * | | | trans | -96.7 | 158.8 | -177.8 | -52.5 | -158.5 | 81.6 | 0 | 0 | 112.3 | | |
| 318 | T | 27.7 | Very low | 30.2 | Very low | 143 Ų | 143 | 143 Ų | 143 | 88% | 0.877 | 83% | 0.829 | S | S | * | * | | | | 170 | 131.8 | 110.8 | 40.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 319 | G | 28 | Very low | 30.4 | Very low | 74 Ų | 74 | 142.3 Ų | 142.3 | 76% | 0.763 | 83% | 0.831 | S | S | * | * | | | trans | 73 | 156.8 | 149.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 320 | Q | 28.1 | Very low | 30.6 | Very low | 202 Ų | 202 | 140 Ų | 140 | 94% | 0.944 | 82% | 0.824 | S | S | * | * | | | cis | -148.5 | 162.6 | -12.6 | -83.6 | -172 | -54 | 0 | 0 | 108.6 | | |
| 321 | A | 24.8 | Very low | 30.9 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | | | trans | -87.3 | 153.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 322 | A | 31 | Very low | 31.3 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | | | trans | -151.5 | 133.9 | 149.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 323 | E | 28.4 | Very low | 31.6 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | | | trans | -113.8 | 123.6 | -170.2 | 173.2 | -173.6 | -177.8 | 0 | 0 | 109.1 | | |
| 324 | I | 30.5 | Very low | 31.4 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | | | trans | -140.3 | 130.1 | 168.7 | -55.6 | -177.6 | 0 | 0 | 0 | 109.2 | | |
| 325 | H | 33.3 | Very low | 31.8 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 72% | 0.718 | 82% | 0.823 | S | S | * | * | | | trans | -83.9 | 165.7 | -176.4 | -99.1 | -86.7 | 0 | 0 | 0 | 113.5 | | |
| 326 | P | 38.9 | Very low | 31.4 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | | | trans | -91 | 161.8 | -159.1 | 36.6 | -37.5 | 0 | 0 | 0 | 114.8 | | |
| 327 | G | 29.9 | Very low | 31.8 | Very low | 59 Ų | 59 | 139.5 Ų | 139.5 | 61% | 0.608 | 82% | 0.82 | S | S | * | * | | | trans | -164.1 | 127.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 328 | D | 31.7 | Very low | 32.4 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | | | trans | 52.4 | 110.6 | 149.5 | -44.8 | -34.1 | 0 | 0 | 0 | 120.3 | | |
| 329 | F | 32.2 | Very low | 33 | Very low | 211 Ų | 211 | 138 Ų | 138 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | | | trans | -148.5 | 149.4 | 134.2 | -140.3 | -96.2 | 0 | 0 | 0 | 114 | | |
| 330 | D | 32.4 | Very low | 33.8 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 71% | 0.706 | 82% | 0.822 | S | S | * | * | | | trans | -76.9 | 139.3 | -163.8 | -126.3 | -40 | 0 | 0 | 0 | 114.7 | V332 | D330-V332 PolarHBondContact O-N 2.78Š|
| 331 | T | 37.3 | Very low | 34.4 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | | | trans | -82.2 | 99.8 | 165.7 | 40.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 332 | V | 37.7 | Very low | 35.2 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 130.9 | 168.7 | -96.1 | 0 | 0 | 0 | 0 | 111.7 | D330 | D330-V332 PolarHBondContact O-N 2.78Š|
| 333 | Q | 35.5 | Very low | 35.7 | Very low | 186 Ų | 186 | 148.5 Ų | 148.5 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 145.3 | -167.9 | -63.4 | 170.9 | -17.4 | 0 | 0 | 113.7 | | |
| 334 | S | 29.9 | Very low | 36.3 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 146.9 | 157 | -69.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 335 | P | 36.3 | Very low | 36.8 | Very low | 130 Ų | 130 | 147.8 Ų | 147.8 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -81 | 129.1 | -168.8 | 30.6 | -35.1 | 0 | 0 | 0 | 114 | | |
| 336 | S | 32.6 | Very low | 36.9 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -96 | 145.4 | 168.3 | -71.2 | 0 | 0 | 0 | 0 | 112 | | |
| 337 | T | 33.2 | Very low | 37.2 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 80% | 0.798 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 159.6 | 179.9 | 45.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 338 | P | 40.8 | Very low | 37.6 | Very low | 130 Ų | 130 | 153.8 Ų | 153.8 | 84% | 0.844 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -88 | 130.2 | -149.2 | 31.9 | -35.5 | 0 | 0 | 0 | 115.1 | | |
| 339 | I | 40.9 | Very low | 37.8 | Very low | 159 Ų | 159 | 152.3 Ų | 152.3 | 82% | 0.815 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 135.5 | 163.8 | -76.9 | 175.6 | 0 | 0 | 0 | 109.6 | E341 | I339-E341 PolarHBondContact O-N 2.61Š|
| 340 | K | 45.1 | Very low | 37.8 | Very low | 202 Ų | 202 | 145.5 Ų | 145.5 | 88% | 0.878 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 119.4 | 172.9 | -82.6 | 173 | 168.5 | 173.1 | 0 | 110.9 | | |
| 341 | E | 39.8 | Very low | 38.5 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 124.1 | 156.1 | -64.8 | -175.4 | 153.2 | 0 | 0 | 109.5 | I339 | I339-E341 PolarHBondContact O-N 2.61Š|
| 342 | L | 41.7 | Very low | 38.7 | Very low | 160 Ų | 160 | 142.1 Ų | 142.1 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | | | trans | -155.2 | 116 | 156.2 | -162.3 | 73.6 | 0 | 0 | 0 | 111.3 | | |
| 343 | D | 41.7 | Very low | 39.5 | Very low | 155 Ų | 155 | 145.9 Ų | 145.9 | 83% | 0.829 | 83% | 0.827 | S | S | * | * | | | trans | 58.4 | 120.6 | 163.5 | -101.5 | -93.2 | 0 | 0 | 0 | 120.9 | | |
| 344 | D | 40.7 | Very low | 40.1 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 61% | 0.61 | 82% | 0.816 | S | S | * | * | | | trans | -110.4 | 128.7 | 173.3 | -149.6 | -27.7 | 0 | 0 | 0 | 110.8 | | |
| 345 | R | 42 | Very low | 41 | Very low | 203 Ų | 203 | 147.4 Ų | 147.4 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | | | trans | 55.3 | 109.6 | 158.3 | -79.4 | 159.8 | 172 | 86.5 | -3.7 | 120.7 | | |
| 346 | A | 34.3 | Very low | 41.6 | Very low | 108 Ų | 108 | 145.5 Ų | 145.5 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | | | trans | -128 | 110.4 | 134.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 347 | C | 44.8 | Very low | 42.6 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 72% | 0.723 | 83% | 0.827 | S | S | * | * | | | trans | -80.8 | 131.4 | -173.6 | -52.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 348 | R | 39.8 | Very low | 43.6 | Very low | 247 Ų | 247 | 147.5 Ų | 147.5 | 93% | 0.932 | 82% | 0.82 | S | S | * | * | | | trans | -151.8 | 126.7 | 149.1 | -73.2 | -156.3 | 172.3 | -172.5 | -3.6 | 114.5 | | |
| 349 | S | 34.8 | Very low | 44.5 | Very low | 131 Ų | 131 | 152.8 Ų | 152.8 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | | | trans | 33.9 | 128.7 | 140.7 | -164.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 350 | G | 33.5 | Very low | 45.1 | Very low | 69 Ų | 69 | 154.4 Ų | 154.4 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | | | trans | 157.7 | 99.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S352 | G350-S352 PolarHBondContact O-N 3.18Š|
| 351 | G | 46 | Very low | 45.5 | Very low | 90 Ų | 90 | 152.7 Ų | 152.7 | 93% | 0.928 | 83% | 0.825 | S | S | * | * | | | trans | -70 | 128.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 352 | S | 42.8 | Very low | 46.5 | Very low | 100 Ų | 100 | 148.9 Ų | 148.9 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | | | trans | -139.9 | 123.3 | 167.5 | -172 | 0 | 0 | 0 | 0 | 110.8 | G350 S354 | G350-S352 PolarHBondContact O-N 3.18Å; S352-S354 VanDerWaalsContact C-N 3.33Å; S352-S354 PolarHBondContact O-N 3.48Å |
| 353 | K | 53 | Low | 47.8 | Very low | 220 Ų | 220 | 147.1 Ų | 147.1 | 96% | 0.957 | 81% | 0.809 | S | S | * | * | | | trans | -74.8 | 84.6 | 170.2 | -70.7 | 178.4 | 177.6 | 177.2 | 0 | 108.9 | | |
| 354 | S | 48.4 | Very low | 49 | Very low | 94 Ų | 94 | 142.9 Ų | 142.9 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | | | trans | -110.6 | 91.3 | 172.7 | 52.9 | 0 | 0 | 0 | 0 | 111.2 | S352 | S352-S354 VanDerWaalsContact C-N 3.33Å; S352-S354 PolarHBondContact O-N 3.48Å |
| 355 | R | 48.3 | Very low | 50.5 | Low | 234 Ų | 234 | 140.2 Ų | 140.2 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | 44.3 | 105.7 | 154.1 | -63.8 | 174.1 | 172.8 | 128.8 | -1.3 | 115 | R357 | R355-R357 PolarHBondContact O-N 2.87Š|
| 356 | G | 50.2 | Low | 52.1 | Low | 90 Ų | 90 | 134.5 Ų | 134.5 | 93% | 0.928 | 77% | 0.769 | S | S | * | * | | | trans | -55 | 88.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | G358 | G356-G358 PolarHBondContact O-N 3Å; G356-G358 VanDerWaalsContact O-N 3.07Å |
| 357 | R | 52.1 | Low | 53.6 | Low | 231 Ų | 231 | 134 Ų | 134 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | | | trans | -74.4 | 102.9 | -179.6 | -150.5 | 178.3 | -168.2 | -176.2 | 3.1 | 103.9 | R355 R359 | R355-R357 PolarHBondContact O-N 2.87Å; R357-R359 PolarHBondContact O-N 3.11Å |
| 358 | G | 55.8 | Low | 54.7 | Low | 63 Ų | 63 | 136 Ų | 136 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | | | trans | -42.8 | 115.8 | -175 | 0 | 0 | 0 | 0 | 0 | 109.2 | G356 K360 | G356-G358 PolarHBondContact O-N 3Å; G356-G358 VanDerWaalsContact O-N 3.07Å; G358-K360 VanDerWaalsContact C-N 3.31Å; G358-K360 PolarHBondContact O-N 3.39Å |
| 359 | R | 58 | Low | 56.4 | Low | 240 Ų | 240 | 125.6 Ų | 125.6 | 91% | 0.906 | 73% | 0.726 | S | S | * | * | | | trans | -59.7 | 108.1 | 169.8 | -76.9 | -171.7 | 173.7 | -153.3 | -1.4 | 103.9 | R357 N361 | R357-R359 PolarHBondContact O-N 3.11Å; R359-N361 PolarHBondContact O-N 3.18Å |
| 360 | K | 54.3 | Low | 58.4 | Low | 194 Ų | 194 | 127.8 Ų | 127.8 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | | | trans | -50.5 | 134.7 | -170.8 | -57.1 | 171 | -177.4 | 178.9 | 0 | 106.9 | G358 N362 | G358-K360 VanDerWaalsContact C-N 3.31Å; G358-K360 PolarHBondContact O-N 3.39Å; K360-N362 PolarHBondContact O-N 2.85Å |
| 361 | N | 54.4 | Low | 60.8 | Low | 166 Ų | 166 | 129.4 Ų | 129.4 | 89% | 0.888 | 72% | 0.719 | S | S | * | * | | | trans | -64.3 | 79.6 | 171.3 | -77.8 | 5 | 0 | 0 | 0 | 108.4 | R359 P363 | R359-N361 PolarHBondContact O-N 3.18Å; N361-P363 WeakPolarHBondContact O-CD 3.32Å |
| 362 | N | 60 | Low | 62.8 | Low | 110 Ų | 110 | 133.9 Ų | 133.9 | 59% | 0.588 | 72% | 0.715 | S | S | * | * | | | trans | -80.2 | 113.2 | 153.5 | -169.7 | 9 | 0 | 0 | 0 | 105.1 | K360 S364 | K360-N362 PolarHBondContact O-N 2.85Å; N362-S364 PolarHBondContact O-N 3.34Å; N362-S364 WeakPolarHBondContact OD1-CB 3.4Å; N362-S364 PolarHBondContact OD1-N 3.01Å; N362-S364 PolarHBondContact OD1-OG 3.06Å |
| 363 | P | 69.9 | Low | 64.9 | Low | 124 Ų | 124 | 133.8 Ų | 133.8 | 81% | 0.805 | 70% | 0.7 | S | S | * | * | | | trans | -66.5 | -16.9 | 175.7 | 29.1 | -35.1 | 0 | 0 | 0 | 111.5 | N361 | N361-P363 WeakPolarHBondContact O-CD 3.32Š|
| 364 | S | 65.9 | Low | 66.8 | Low | 65 Ų | 65 | 129.1 Ų | 129.1 | 46% | 0.455 | 69% | 0.69 | S | S | . | * | S | Bend | trans | -66.6 | 127.7 | 176.1 | -49.5 | 0 | 0 | 0 | 0 | 111.6 | N362 | N362-S364 PolarHBondContact O-N 3.34Å; N362-S364 WeakPolarHBondContact OD1-CB 3.4Å; N362-S364 PolarHBondContact OD1-N 3.01Å; N362-S364 PolarHBondContact OD1-OG 3.06Å |
| 365 | P | 73.3 | Confident | 68.9 | Low | 58 Ų | 58 | 131 Ų | 131 | 38% | 0.377 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 159.2 | 172.1 | 24.3 | -31.3 | 0 | 0 | 0 | 111.7 | L371 R373 | P365-L371 HydrophobicContact CB-CD1 3.78Å; P365-L371 HydrophobicContact CG-CD1 3.43Å; P365-L371 VanDerWaalsContact CG-CD1 3.43Å; P365-R373 PolarHBondContact O-NH2 3.37Å |
| 366 | P | 74.9 | Confident | 71.2 | Confident | 84 Ų | 84 | 126.7 Ų | 126.7 | 55% | 0.545 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 150.9 | -177.6 | 25.6 | -35.5 | 0 | 0 | 0 | 112 | D368 S369 R373 | P366-D368 PolarHBondContact O-N 2.93Å; P366-D368 VanDerWaalsContact O-N 3.1Å; P366-S369 PolarHBondContact O-N 3.29Å; P366-S369 VanDerWaalsContact O-N 3.12Å; P366-S369 PolarHBondContact O-OG 3.47Å; P366-R373 PolarHBondContact O-NH2 3.22Å |
| 367 | P | 66.4 | Low | 73.5 | Confident | 98 Ų | 98 | 130.7 Ų | 130.7 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -35.8 | -176.9 | 21.7 | -32.4 | 0 | 0 | 0 | 112.6 | S369 | P367-S369 VanDerWaalsContact C-N 3.27Å; P367-S369 PolarHBondContact O-N 3.32Å |
| 368 | D | 66.2 | Low | 75.7 | Confident | 147 Ų | 147 | 124.7 Ų | 124.7 | 79% | 0.786 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 22.3 | -176.1 | -31.9 | -69.2 | 0 | 0 | 0 | 114 | P366 | P366-D368 PolarHBondContact O-N 2.93Å; P366-D368 VanDerWaalsContact O-N 3.1Å |
| 369 | S | 75.4 | Confident | 77.7 | Confident | 30 Ų | 30 | 126.7 Ų | 126.7 | 21% | 0.21 | 65% | 0.653 | C | S | . | * | S | Bend | trans | -88.9 | 138 | 168 | 61.5 | 0 | 0 | 0 | 0 | 110.1 | P366 P367 L371 | P366-S369 PolarHBondContact O-N 3.29Å; P366-S369 VanDerWaalsContact O-N 3.12Å; P366-S369 PolarHBondContact O-OG 3.47Å; P367-S369 VanDerWaalsContact C-N 3.27Å; P367-S369 PolarHBondContact O-N 3.32Å; S369-L371 PolarHBondContact O-N 2.95Å |
| 370 | D | 78.5 | Confident | 79.6 | Confident | 176 Ų | 176 | 117.8 Ų | 117.8 | 94% | 0.941 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -67.4 | 31.7 | 176.2 | -53.1 | -49 | 0 | 0 | 0 | 114.1 | | |
| 371 | L | 83.8 | Confident | 81.6 | Confident | 103 Ų | 103 | 112.6 Ų | 112.6 | 54% | 0.539 | 60% | 0.602 | S | S | . | * | | | trans | -97.6 | 134.1 | -177.8 | -63.7 | 174.3 | 0 | 0 | 0 | 109.5 | P365 S369 R373 | P365-L371 HydrophobicContact CB-CD1 3.78Å; P365-L371 HydrophobicContact CG-CD1 3.43Å; P365-L371 VanDerWaalsContact CG-CD1 3.43Å; S369-L371 PolarHBondContact O-N 2.95Å; L371-R373 PolarHBondContact O-N 2.98Å |
| 372 | E | 86.9 | Confident | 83.7 | Confident | 184 Ų | 184 | 108.4 Ų | 108.4 | 86% | 0.86 | 58% | 0.583 | S | S | * | * | | | trans | -59.6 | 135.4 | 170.8 | -170.4 | 173.5 | -178 | 0 | 0 | 110.7 | | |
| 373 | R | 87.7 | Confident | 85.5 | Confident | 99 Ų | 99 | 108 Ų | 108 | 37% | 0.374 | 58% | 0.58 | S | S | . | * | | | trans | -119.3 | 103.6 | -175.6 | -72 | 174.7 | 174.6 | -82.8 | -15.3 | 109.9 | P365 P366 L371 F375 | P365-R373 PolarHBondContact O-NH2 3.37Å; P366-R373 PolarHBondContact O-NH2 3.22Å; L371-R373 PolarHBondContact O-N 2.98Å; R373-F375 HydrophobicContact CB-CD2 4.49Å; R373-F375 HydrophobicContact CB-CE2 3.8Å; R373-F375 HydrophobicContact CB-CZ 4.2Å |
| 374 | V | 92.4 | Very high | 86.8 | Confident | 122 Ų | 122 | 104.9 Ų | 104.9 | 74% | 0.739 | 56% | 0.555 | S | S | * | * | | | trans | -84.9 | 125.8 | 170.3 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | V376 | V374-V376 HydrophobicContact CG1-CG2 4.47Š|
| 375 | F | 93 | Very high | 88.4 | Confident | 134 Ų | 134 | 104.2 Ų | 104.2 | 59% | 0.588 | 55% | 0.549 | S | S | * | . | | | trans | -107.8 | 110.4 | 173.9 | -64 | -90.4 | 0 | 0 | 0 | 108.9 | R373 W377 | R373-F375 HydrophobicContact CB-CD2 4.49Å; R373-F375 HydrophobicContact CB-CE2 3.8Å; R373-F375 HydrophobicContact CB-CZ 4.2Å; F375-W377 HydrophobicContact CB-CZ2 4.33Å; F375-W377 VanDerWaalsContact O-CD1 3.26Å |
| 376 | V | 96.6 | Very high | 89.6 | Confident | 143 Ų | 143 | 103.3 Ų | 103.3 | 87% | 0.867 | 54% | 0.539 | S | S | * | . | | | trans | -87.2 | 121.3 | 171.5 | -175.9 | 0 | 0 | 0 | 0 | 107.6 | V374 | V374-V376 HydrophobicContact CG1-CG2 4.47Š|
| 377 | W | 97.9 | Very high | 90.7 | Very high | 174 Ų | 174 | 104.4 Ų | 104.4 | 66% | 0.659 | 54% | 0.536 | S | S | * | . | | | trans | -108.6 | 143.4 | -177.6 | -63.8 | 90.7 | 0 | 0 | 0 | 111 | F375 T382 I383 | F375-W377 HydrophobicContact CB-CZ2 4.33Å; F375-W377 VanDerWaalsContact O-CD1 3.26Å; W377-T382 HydrophobicContact CE3-CG2 4.31Å; W377-I383 HydrophobicContact CB-CD1 3.74Å; W377-I383 HydrophobicContact CD2-CD1 4.31Å; W377-I383 HydrophobicContact CE3-CD1 4.42Å; W377-I383 HydrophobicContact CE3-CG1 4.22Å; W377-I383 HydrophobicContact CG-CD1 4.04Å |
| 378 | D | 97.9 | Very high | 92.2 | Very high | 105 Ų | 105 | 100 Ų | 100 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | | | trans | -83.5 | 151.1 | 157.2 | -175.4 | 20.9 | 0 | 0 | 0 | 108.9 | T382 | D378-T382 HydrophobicContact CB-CG2 4.29Å; D378-T382 WeakPolarHBondContact O-CB 3.42Å; D378-T382 WeakPolarHBondContact O-CG2 3.24Å |
| 379 | L | 98.3 | Very high | 93.7 | Very high | 105 Ų | 105 | 94.3 Ų | 94.3 | 55% | 0.55 | 48% | 0.477 | S | S | . | . | | | trans | -93.7 | -64.4 | -173.4 | 179.1 | 60 | 0 | 0 | 0 | 111.3 | I383 I384 | L379-I383 HydrophobicContact CD1-CB 4.39Å; L379-I383 PolarHBondContact O-N 2.97Å; L379-I384 HydrophobicContact CD1-CD1 4.28Å; L379-I384 HydrophobicContact CD1-CG1 4.26Å; L379-I384 HydrophobicContact CD1-CG2 4.27Å; L379-I384 HydrophobicContact CG-CD1 4.08Å; L379-I384 HydrophobicContact CG-CG1 4.23Å; L379-I384 WeakPolarHBondContact O-CG1 3.31Å; L379-I384 PolarHBondContact O-N 3.42Å |
| 380 | D | 97.9 | Very high | 94.8 | Very high | 52 Ų | 52 | 94.8 Ų | 94.8 | 28% | 0.278 | 48% | 0.478 | S | S | . | . | B | Isolated β-bridge | trans | -75.9 | 140.8 | -174.4 | -170.3 | 36 | 0 | 0 | 0 | 111.3 | T382 F386 H387 | D380-T382 PolarHBondContact O-N 3.25Å; D380-F386 PolarHBondContact OD1-N 3.28Å; D380-H387 PolarHBondContact OD1-N 3.28Å; D380-H387 WeakPolarHBondContact OD2-CB 3.44Å |
| 381 | E | 96.8 | Very high | 95.8 | Very high | 85 Ų | 85 | 89.8 Ų | 89.8 | 40% | 0.397 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 4.4 | -173.2 | -54.1 | -54.6 | 144.3 | 0 | 0 | 116.8 | I384 F386 H387 S388 | E381-I384 CarbonylContact C-O 3.47Å; E381-I384 WeakPolarHBondContact CA-O 3.46Å; E381-I384 PolarHBondContact N-O 3.46Å; E381-F386 PolarHBondContact OE1-N 3.27Å; E381-H387 PolarHBondContact OE1-N 3.19Å; E381-S388 WeakPolarHBondContact OE1-CB 3.16Å; E381-S388 PolarHBondContact OE1-N 2.94Å; E381-S388 PolarHBondContact OE1-OG 2.91Å; E381-S388 WeakPolarHBondContact OE2-CB 3.49Å; E381-S388 PolarHBondContact OE2-OG 3.31Å |
| 382 | T | 97.4 | Very high | 96.4 | Very high | 78 Ų | 78 | 85 Ų | 85 | 48% | 0.479 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | -56.4 | 177.8 | -65.8 | 0 | 0 | 0 | 0 | 111.8 | W377 D378 D380 | W377-T382 HydrophobicContact CE3-CG2 4.31Å; D378-T382 HydrophobicContact CB-CG2 4.29Å; D378-T382 WeakPolarHBondContact O-CB 3.42Å; D378-T382 WeakPolarHBondContact O-CG2 3.24Å; D380-T382 PolarHBondContact O-N 3.25Å |
| 383 | I | 98 | Very high | 97 | Very high | 103 Ų | 103 | 78.7 Ų | 78.7 | 53% | 0.528 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -47.8 | 172.8 | -65.9 | 175.1 | 0 | 0 | 0 | 110.1 | W377 L379 | W377-I383 HydrophobicContact CB-CD1 3.74Å; W377-I383 HydrophobicContact CD2-CD1 4.31Å; W377-I383 HydrophobicContact CE3-CD1 4.42Å; W377-I383 HydrophobicContact CE3-CG1 4.22Å; W377-I383 HydrophobicContact CG-CD1 4.04Å; L379-I383 HydrophobicContact CD1-CB 4.39Å; L379-I383 PolarHBondContact O-N 2.97Å |
| 384 | I | 98.1 | Very high | 97.5 | Very high | 57 Ų | 57 | 77.5 Ų | 77.5 | 29% | 0.292 | 40% | 0.401 | S | S | . | . | B | Isolated β-bridge | trans | -107.4 | 170.8 | 178.6 | 67.8 | 173.2 | 0 | 0 | 0 | 111 | L379 E381 F386 | L379-I384 HydrophobicContact CD1-CD1 4.28Å; L379-I384 HydrophobicContact CD1-CG1 4.26Å; L379-I384 HydrophobicContact CD1-CG2 4.27Å; L379-I384 HydrophobicContact CG-CD1 4.08Å; L379-I384 HydrophobicContact CG-CG1 4.23Å; L379-I384 WeakPolarHBondContact O-CG1 3.31Å; L379-I384 PolarHBondContact O-N 3.42Å; E381-I384 CarbonylContact C-O 3.47Å; E381-I384 WeakPolarHBondContact CA-O 3.46Å; E381-I384 PolarHBondContact N-O 3.46Å; I384-F386 HydrophobicContact CD1-CB 4.02Å; I384-F386 HydrophobicContact CG1-CB 4.44Å |
| 385 | V | 98.4 | Very high | 97.8 | Very high | 52 Ų | 52 | 71.8 Ų | 71.8 | 32% | 0.315 | 37% | 0.366 | S | S | . | . | | | trans | -126.7 | 105 | 172.2 | 178.4 | 0 | 0 | 0 | 0 | 105.7 | S388 L389 Y394 | V385-S388 WeakPolarHBondContact CG1-OG 3.36Å; V385-L389 HydrophobicContact CG1-CD2 4.12Å; V385-L389 HydrophobicContact CG1-CG 4.11Å; V385-L389 VanDerWaalsContact O-CD1 3.3Å; V385-L389 WeakPolarHBondContact O-CD1 3.4Å; V385-Y394 HydrophobicContact CB-CD2 4.48Å; V385-Y394 HydrophobicContact CB-CE2 4.42Å; V385-Y394 HydrophobicContact CG1-CD1 4.4Å; V385-Y394 HydrophobicContact CG1-CD2 3.3Å; V385-Y394 HydrophobicContact CG1-CE2 3.63Å; V385-Y394 HydrophobicContact CG1-CG 3.75Å; V385-Y394 HydrophobicContact CG2-CD2 4.4Å; V385-Y394 HydrophobicContact CG2-CE2 4.01Å |
| 386 | F | 98.6 | Very high | 98 | Very high | 38 Ų | 38 | 72.5 Ų | 72.5 | 17% | 0.167 | 37% | 0.371 | C | S | . | . | | | trans | -134.7 | -60.6 | -173.6 | 178.1 | -120 | 0 | 0 | 0 | 112 | D380 E381 I384 S388 L389 L390 M412 E413 I416 | D380-F386 PolarHBondContact OD1-N 3.28Å; E381-F386 PolarHBondContact OE1-N 3.27Å; I384-F386 HydrophobicContact CD1-CB 4.02Å; I384-F386 HydrophobicContact CG1-CB 4.44Å; F386-S388 VanDerWaalsContact C-N 3.26Å; F386-S388 PolarHBondContact O-N 3.01Å; F386-L389 VanDerWaalsContact O-CB 3.31Å; F386-L389 WeakPolarHBondContact O-CB 3.49Å; F386-L389 PolarHBondContact O-N 3.38Å; F386-L390 HydrophobicContact CE1-CD1 4.17Å; F386-L390 HydrophobicContact CE2-CD1 4.28Å; F386-L390 HydrophobicContact CZ-CD1 3.95Å; F386-L390 PolarHBondContact O-N 2.97Å; F386-M412 HydrophobicContact CD2-CB 4.21Å; F386-M412 HydrophobicContact CD2-CE 4.24Å; F386-M412 HydrophobicContact CD2-CG 3.91Å; F386-M412 HydrophobicContact CD2-SD 3.82Å; F386-M412 HydrophobicContact CE2-CB 3.92Å; F386-M412 HydrophobicContact CE2-CG 3.85Å; F386-M412 HydrophobicContact CE2-SD 4.38Å; F386-E413 HydrophobicContact CE2-CB 4.12Å; F386-E413 HydrophobicContact CZ-CB 3.81Å; F386-E413 HydrophobicContact CZ-CG 4.33Å; F386-I416 HydrophobicContact CE1-CD1 4.18Å; F386-I416 HydrophobicContact CE2-CD1 4.08Å; F386-I416 HydrophobicContact CZ-CD1 3.86Å |
| 387 | H | 98.2 | Very high | 98.1 | Very high | 107 Ų | 107 | 72.9 Ų | 72.9 | 50% | 0.495 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.1 | -32.7 | -179.7 | -174.5 | 81.7 | 0 | 0 | 0 | 112.5 | D380 E381 L389 L390 T391 | D380-H387 PolarHBondContact OD1-N 3.28Å; D380-H387 WeakPolarHBondContact OD2-CB 3.44Å; E381-H387 PolarHBondContact OE1-N 3.19Å; H387-L389 VanDerWaalsContact C-N 3.27Å; H387-L389 PolarHBondContact O-N 3.39Å; H387-L390 PolarHBondContact O-N 3.48Å; H387-T391 PolarHBondContact O-N 2.72Å; H387-T391 PolarHBondContact O-OG1 3.37Å |
| 388 | S | 98.3 | Very high | 98.1 | Very high | 7 Ų | 7 | 70.3 Ų | 70.3 | 5% | 0.049 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -72.7 | -16.1 | 175.3 | 69.8 | 0 | 0 | 0 | 0 | 114.2 | E381 V385 F386 T391 G392 S393 Y394 | E381-S388 WeakPolarHBondContact OE1-CB 3.16Å; E381-S388 PolarHBondContact OE1-N 2.94Å; E381-S388 PolarHBondContact OE1-OG 2.91Å; E381-S388 WeakPolarHBondContact OE2-CB 3.49Å; E381-S388 PolarHBondContact OE2-OG 3.31Å; V385-S388 WeakPolarHBondContact CG1-OG 3.36Å; F386-S388 VanDerWaalsContact C-N 3.26Å; F386-S388 PolarHBondContact O-N 3.01Å; S388-T391 WeakPolarHBondContact CA-OG1 3.36Å; S388-G392 CarbonylContact O-C 3.56Å; S388-G392 PolarHBondContact O-N 2.87Å; S388-S393 WeakPolarHBondContact CA-OG 3.43Å; S388-S393 WeakPolarHBondContact CB-OG 3.18Å; S388-S393 PolarHBondContact O-N 3.28Å; S388-S393 PolarHBondContact O-OG 3.27Å; S388-Y394 WeakPolarHBondContact O-CB 2.97Å; S388-Y394 PolarHBondContact O-N 3.18Å; S388-Y394 WeakPolarHBondContact OG-CB 3.39Å |
| 389 | L | 98.6 | Very high | 98.1 | Very high | 26 Ų | 26 | 68.7 Ų | 68.7 | 14% | 0.136 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -74 | -50.8 | 167.4 | -61.4 | -179.3 | 0 | 0 | 0 | 110.2 | V385 F386 H387 T391 G392 Y394 A405 V406 | V385-L389 HydrophobicContact CG1-CD2 4.12Å; V385-L389 HydrophobicContact CG1-CG 4.11Å; V385-L389 VanDerWaalsContact O-CD1 3.3Å; V385-L389 WeakPolarHBondContact O-CD1 3.4Å; F386-L389 VanDerWaalsContact O-CB 3.31Å; F386-L389 WeakPolarHBondContact O-CB 3.49Å; F386-L389 PolarHBondContact O-N 3.38Å; H387-L389 VanDerWaalsContact C-N 3.27Å; H387-L389 PolarHBondContact O-N 3.39Å; L389-T391 VanDerWaalsContact C-N 3.28Å; L389-T391 PolarHBondContact O-N 3.46Å; L389-G392 PolarHBondContact O-N 2.94Å; L389-Y394 HydrophobicContact CD2-CD1 3.89Å; L389-Y394 HydrophobicContact CD2-CG 4.2Å; L389-A405 HydrophobicContact CD2-CB 4.25Å; L389-V406 WeakPolarHBondContact O-CA 3.08Å; L389-V406 WeakPolarHBondContact O-CG2 3.35Å; L389-V406 PolarHBondContact O-N 3.23Å |
| 390 | L | 98.4 | Very high | 98 | Very high | 41 Ų | 41 | 69.6 Ų | 69.6 | 22% | 0.215 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.4 | -39.4 | 179.1 | -66.4 | 171.4 | 0 | 0 | 0 | 112.5 | F386 H387 G392 L410 | F386-L390 HydrophobicContact CE1-CD1 4.17Å; F386-L390 HydrophobicContact CE2-CD1 4.28Å; F386-L390 HydrophobicContact CZ-CD1 3.95Å; F386-L390 PolarHBondContact O-N 2.97Å; H387-L390 PolarHBondContact O-N 3.48Å; L390-G392 VanDerWaalsContact C-N 3.34Å; L390-L410 HydrophobicContact CD2-CD2 3.91Å; L390-L410 HydrophobicContact CD2-CG 4.13Å |
| 391 | T | 97.9 | Very high | 98.1 | Very high | 70 Ų | 70 | 71.5 Ų | 71.5 | 43% | 0.429 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -7.7 | 175.7 | 57.1 | 0 | 0 | 0 | 0 | 114 | H387 S388 L389 S393 | H387-T391 PolarHBondContact O-N 2.72Å; H387-T391 PolarHBondContact O-OG1 3.37Å; S388-T391 WeakPolarHBondContact CA-OG1 3.36Å; L389-T391 VanDerWaalsContact C-N 3.28Å; L389-T391 PolarHBondContact O-N 3.46Å; T391-S393 PolarHBondContact O-N 3.08Å; T391-S393 VanDerWaalsContact O-N 3.1Å; T391-S393 PolarHBondContact OG1-OG 3.41Å |
| 392 | G | 97.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 69.8 Ų | 69.8 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | S | Bend | trans | 65.2 | 3.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.9 | S388 L389 L390 Y394 A395 Q396 | S388-G392 CarbonylContact O-C 3.56Å; S388-G392 PolarHBondContact O-N 2.87Å; L389-G392 PolarHBondContact O-N 2.94Å; L390-G392 VanDerWaalsContact C-N 3.34Å; G392-Y394 VanDerWaalsContact C-N 3.33Å; G392-Y394 PolarHBondContact O-N 2.8Å; G392-A395 WeakPolarHBondContact O-CB 3.34Å; G392-A395 PolarHBondContact O-N 2.97Å; G392-A395 VanDerWaalsContact O-N 3.15Å; G392-Q396 WeakPolarHBondContact O-CG 3.19Å; G392-Q396 PolarHBondContact O-N 3.4Å; G392-Q396 VanDerWaalsContact O-N 3.12Å |
| 393 | S | 98.3 | Very high | 98.1 | Very high | 52 Ų | 52 | 70.1 Ų | 70.1 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.2 | -32 | -176.7 | 58.9 | 0 | 0 | 0 | 0 | 112.5 | S388 T391 A395 Q396 K397 | S388-S393 WeakPolarHBondContact CA-OG 3.43Å; S388-S393 WeakPolarHBondContact CB-OG 3.18Å; S388-S393 PolarHBondContact O-N 3.28Å; S388-S393 PolarHBondContact O-OG 3.27Å; T391-S393 PolarHBondContact O-N 3.08Å; T391-S393 VanDerWaalsContact O-N 3.1Å; T391-S393 PolarHBondContact OG1-OG 3.41Å; S393-A395 VanDerWaalsContact C-N 3.35Å; S393-A395 PolarHBondContact O-N 3.26Å; S393-Q396 PolarHBondContact O-N 3.03Å; S393-K397 WeakPolarHBondContact O-CB 3.38Å; S393-K397 PolarHBondContact O-N 3.24Å |
| 394 | Y | 98.4 | Very high | 98.1 | Very high | 75 Ų | 75 | 70.4 Ų | 70.4 | 29% | 0.294 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.9 | -47.6 | 169.5 | -174.7 | -102.1 | 0 | 0 | 0 | 111.8 | V385 S388 L389 G392 Q396 K397 Y398 K400 | V385-Y394 HydrophobicContact CB-CD2 4.48Å; V385-Y394 HydrophobicContact CB-CE2 4.42Å; V385-Y394 HydrophobicContact CG1-CD1 4.4Å; V385-Y394 HydrophobicContact CG1-CD2 3.3Å; V385-Y394 HydrophobicContact CG1-CE2 3.63Å; V385-Y394 HydrophobicContact CG1-CG 3.75Å; V385-Y394 HydrophobicContact CG2-CD2 4.4Å; V385-Y394 HydrophobicContact CG2-CE2 4.01Å; S388-Y394 WeakPolarHBondContact O-CB 2.97Å; S388-Y394 PolarHBondContact O-N 3.18Å; S388-Y394 WeakPolarHBondContact OG-CB 3.39Å; L389-Y394 HydrophobicContact CD2-CD1 3.89Å; L389-Y394 HydrophobicContact CD2-CG 4.2Å; G392-Y394 VanDerWaalsContact C-N 3.33Å; G392-Y394 PolarHBondContact O-N 2.8Å; Y394-Q396 PolarHBondContact O-N 3.1Å; Y394-K397 PolarHBondContact O-N 2.95Å; Y394-Y398 HydrophobicContact CD1-CD2 4.32Å; Y394-Y398 AromaticContact CD2-CD2 3.48Å; Y394-Y398 HydrophobicContact CD2-CD2 3.48Å; Y394-Y398 VanDerWaalsContact CD2-CD2 3.48Å; Y394-Y398 AromaticContact CD2-CE2 3.47Å; Y394-Y398 HydrophobicContact CD2-CE2 3.47Å; Y394-Y398 VanDerWaalsContact CD2-CE2 3.47Å; Y394-Y398 HydrophobicContact CE1-CD2 4.24Å; Y394-Y398 AromaticContact CE2-CD2 3.36Å; Y394-Y398 HydrophobicContact CE2-CD2 3.36Å; Y394-Y398 AromaticContact CE2-CE2 3.32Å; Y394-Y398 HydrophobicContact CE2-CE2 3.32Å; Y394-Y398 AromaticContact CG-CD2 3.96Å; Y394-Y398 HydrophobicContact CG-CD2 3.96Å; Y394-Y398 HydrophobicContact CG-CE2 4.36Å; Y394-Y398 AromaticContact CZ-CD2 3.78Å; Y394-Y398 VanDerWaalsContact O-CD2 3.31Å; Y394-Y398 WeakPolarHBondContact O-CD2 3.39Å; Y394-Y398 PolarHBondContact O-N 3.05Å; Y394-K400 HydrophobicContact CE1-CG 4.48Å |
| 395 | A | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.008 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.4 | -41.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G392 S393 G399 K400 P402 A405 | G392-A395 WeakPolarHBondContact O-CB 3.34Å; G392-A395 PolarHBondContact O-N 2.97Å; G392-A395 VanDerWaalsContact O-N 3.15Å; S393-A395 VanDerWaalsContact C-N 3.35Å; S393-A395 PolarHBondContact O-N 3.26Å; A395-G399 WeakPolarHBondContact O-CA 3.41Å; A395-G399 PolarHBondContact O-N 3.32Å; A395-K400 HydrophobicContact CB-CB 3.93Å; A395-K400 PolarHBondContact O-N 3.42Å; A395-P402 HydrophobicContact CB-CB 4.09Å; A395-P402 HydrophobicContact CB-CG 4.09Å; A395-A405 HydrophobicContact CB-CB 3.75Å |
| 396 | Q | 97.8 | Very high | 98.1 | Very high | 149 Ų | 149 | 67.6 Ų | 67.6 | 70% | 0.696 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.1 | -45.8 | 173.6 | -65.4 | 175.5 | 23.3 | 0 | 0 | 112 | G392 S393 Y394 Y398 | G392-Q396 WeakPolarHBondContact O-CG 3.19Å; G392-Q396 PolarHBondContact O-N 3.4Å; G392-Q396 VanDerWaalsContact O-N 3.12Å; S393-Q396 PolarHBondContact O-N 3.03Å; Y394-Q396 PolarHBondContact O-N 3.1Å; Q396-Y398 PolarHBondContact O-N 3.09Å |
| 397 | K | 98 | Very high | 98.1 | Very high | 152 Ų | 152 | 70 Ų | 70 | 66% | 0.661 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.7 | -36.1 | -178.6 | -176.8 | 178.7 | 175.9 | -171.4 | 0 | 113.3 | S393 Y394 | S393-K397 WeakPolarHBondContact O-CB 3.38Å; S393-K397 PolarHBondContact O-N 3.24Å; Y394-K397 PolarHBondContact O-N 2.95Å |
| 398 | Y | 98.1 | Very high | 98.2 | Very high | 119 Ų | 119 | 69.5 Ų | 69.5 | 47% | 0.467 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -114.9 | 14.9 | -172.7 | -59.3 | -66.1 | 0 | 0 | 0 | 114.7 | Y394 Q396 K400 | Y394-Y398 HydrophobicContact CD1-CD2 4.32Å; Y394-Y398 AromaticContact CD2-CD2 3.48Å; Y394-Y398 HydrophobicContact CD2-CD2 3.48Å; Y394-Y398 VanDerWaalsContact CD2-CD2 3.48Å; Y394-Y398 AromaticContact CD2-CE2 3.47Å; Y394-Y398 HydrophobicContact CD2-CE2 3.47Å; Y394-Y398 VanDerWaalsContact CD2-CE2 3.47Å; Y394-Y398 HydrophobicContact CE1-CD2 4.24Å; Y394-Y398 AromaticContact CE2-CD2 3.36Å; Y394-Y398 HydrophobicContact CE2-CD2 3.36Å; Y394-Y398 AromaticContact CE2-CE2 3.32Å; Y394-Y398 HydrophobicContact CE2-CE2 3.32Å; Y394-Y398 AromaticContact CG-CD2 3.96Å; Y394-Y398 HydrophobicContact CG-CD2 3.96Å; Y394-Y398 HydrophobicContact CG-CE2 4.36Å; Y394-Y398 AromaticContact CZ-CD2 3.78Å; Y394-Y398 VanDerWaalsContact O-CD2 3.31Å; Y394-Y398 WeakPolarHBondContact O-CD2 3.39Å; Y394-Y398 PolarHBondContact O-N 3.05Å; Q396-Y398 PolarHBondContact O-N 3.09Å; Y398-K400 PolarHBondContact O-N 3.22Å |
| 399 | G | 97.4 | Very high | 98.2 | Very high | 72 Ų | 72 | 69.2 Ų | 69.2 | 74% | 0.742 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 39.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A395 | A395-G399 WeakPolarHBondContact O-CA 3.41Å; A395-G399 PolarHBondContact O-N 3.32Å |
| 400 | K | 98.2 | Very high | 98.2 | Very high | 124 Ų | 124 | 72.1 Ų | 72.1 | 54% | 0.539 | 39% | 0.389 | S | S | . | . | | | trans | -97.7 | 167.3 | 172 | -47.5 | -58.8 | -178.4 | 179.6 | 0 | 110 | Y394 A395 Y398 P402 | Y394-K400 HydrophobicContact CE1-CG 4.48Å; A395-K400 HydrophobicContact CB-CB 3.93Å; A395-K400 PolarHBondContact O-N 3.42Å; Y398-K400 PolarHBondContact O-N 3.22Å; K400-P402 VanDerWaalsContact O-CD 3.24Å; K400-P402 WeakPolarHBondContact O-CD 3.31Å |
| 401 | D | 98.1 | Very high | 98.2 | Very high | 92 Ų | 92 | 75.3 Ų | 75.3 | 49% | 0.492 | 40% | 0.398 | S | S | . | . | | | trans | -70.5 | 117.4 | 173.4 | -177.7 | 67.1 | 0 | 0 | 0 | 110.7 | P403 M404 A405 | D401-P403 WeakPolarHBondContact OD2-CD 3.3Å; D401-M404 HydrophobicContact CB-CB 4.06Å; D401-M404 WeakPolarHBondContact OD2-CB 3.47Å; D401-M404 PolarHBondContact OD2-N 2.99Å; D401-A405 PolarHBondContact O-N 3.09Å; D401-A405 VanDerWaalsContact O-N 3.11Å |
| 402 | P | 97.4 | Very high | 98.2 | Very high | 49 Ų | 49 | 75.6 Ų | 75.6 | 32% | 0.318 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | -177.4 | -19 | 32.2 | 0 | 0 | 0 | 114.3 | A395 K400 M404 A405 V406 | A395-P402 HydrophobicContact CB-CB 4.09Å; A395-P402 HydrophobicContact CB-CG 4.09Å; K400-P402 VanDerWaalsContact O-CD 3.24Å; K400-P402 WeakPolarHBondContact O-CD 3.31Å; P402-M404 VanDerWaalsContact C-N 3.33Å; P402-M404 PolarHBondContact O-N 3.15Å; P402-A405 PolarHBondContact O-N 3.32Å; P402-V406 WeakPolarHBondContact O-CG2 3.39Å; P402-V406 PolarHBondContact O-N 3.17Å |
| 403 | P | 98.3 | Very high | 98.3 | Very high | 84 Ų | 84 | 78.5 Ų | 78.5 | 55% | 0.545 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -55.9 | -42.4 | 175.2 | -27.5 | 35.4 | 0 | 0 | 0 | 113.9 | D401 T407 | D401-P403 WeakPolarHBondContact OD2-CD 3.3Å; P403-T407 WeakPolarHBondContact O-CB 3.36Å; P403-T407 PolarHBondContact O-N 3.09Å; P403-T407 PolarHBondContact O-OG1 3.37Å |
| 404 | M | 97.9 | Very high | 98.3 | Very high | 109 Ų | 109 | 82.3 Ų | 82.3 | 54% | 0.537 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 175.8 | -173.7 | 61.6 | 64.2 | 0 | 0 | 111.9 | D401 P402 T407 L408 | D401-M404 HydrophobicContact CB-CB 4.06Å; D401-M404 WeakPolarHBondContact OD2-CB 3.47Å; D401-M404 PolarHBondContact OD2-N 2.99Å; P402-M404 VanDerWaalsContact C-N 3.33Å; P402-M404 PolarHBondContact O-N 3.15Å; M404-T407 WeakPolarHBondContact O-CB 3.32Å; M404-T407 PolarHBondContact O-N 3.03Å; M404-L408 HydrophobicContact CG-CD1 4.45Å; M404-L408 WeakPolarHBondContact O-CG 3.27Å; M404-L408 PolarHBondContact O-N 2.97Å |
| 405 | A | 98.3 | Very high | 98.3 | Very high | 7 Ų | 7 | 84.1 Ų | 84.1 | 6% | 0.058 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | L389 A395 D401 P402 T407 L408 G409 | L389-A405 HydrophobicContact CD2-CB 4.25Å; A395-A405 HydrophobicContact CB-CB 3.75Å; D401-A405 PolarHBondContact O-N 3.09Å; D401-A405 VanDerWaalsContact O-N 3.11Å; P402-A405 PolarHBondContact O-N 3.32Å; A405-T407 VanDerWaalsContact C-N 3.32Å; A405-T407 PolarHBondContact O-N 2.99Å; A405-L408 PolarHBondContact O-N 2.91Å; A405-G409 PolarHBondContact O-N 3.46Å |
| 406 | V | 98.6 | Very high | 98.2 | Very high | 44 Ų | 44 | 87.7 Ų | 87.7 | 27% | 0.267 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 175.2 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | L389 P402 L408 G409 L410 | L389-V406 WeakPolarHBondContact O-CA 3.08Å; L389-V406 WeakPolarHBondContact O-CG2 3.35Å; L389-V406 PolarHBondContact O-N 3.23Å; P402-V406 WeakPolarHBondContact O-CG2 3.39Å; P402-V406 PolarHBondContact O-N 3.17Å; V406-L408 VanDerWaalsContact C-N 3.33Å; V406-L408 PolarHBondContact O-N 3.19Å; V406-G409 PolarHBondContact O-N 3.14Å; V406-L410 HydrophobicContact CG1-CD1 4Å; V406-L410 HydrophobicContact CG1-CG 4.31Å; V406-L410 WeakPolarHBondContact O-CG 3.4Å; V406-L410 PolarHBondContact O-N 2.99Å |
| 407 | T | 98.7 | Very high | 98.2 | Very high | 87 Ų | 87 | 85.2 Ų | 85.2 | 53% | 0.534 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 176.7 | -57.7 | 0 | 0 | 0 | 0 | 112.2 | P403 M404 A405 R411 | P403-T407 WeakPolarHBondContact O-CB 3.36Å; P403-T407 PolarHBondContact O-N 3.09Å; P403-T407 PolarHBondContact O-OG1 3.37Å; M404-T407 WeakPolarHBondContact O-CB 3.32Å; M404-T407 PolarHBondContact O-N 3.03Å; A405-T407 VanDerWaalsContact C-N 3.32Å; A405-T407 PolarHBondContact O-N 2.99Å; T407-R411 WeakPolarHBondContact O-CB 3.48Å; T407-R411 PolarHBondContact O-N 2.83Å |
| 408 | L | 98.5 | Very high | 98.2 | Very high | 98 Ų | 98 | 82.3 Ų | 82.3 | 51% | 0.513 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.2 | -40.3 | 174.4 | -69.8 | 171.4 | 0 | 0 | 0 | 112 | M404 A405 V406 R411 M412 | M404-L408 HydrophobicContact CG-CD1 4.45Å; M404-L408 WeakPolarHBondContact O-CG 3.27Å; M404-L408 PolarHBondContact O-N 2.97Å; A405-L408 PolarHBondContact O-N 2.91Å; V406-L408 VanDerWaalsContact C-N 3.33Å; V406-L408 PolarHBondContact O-N 3.19Å; L408-R411 PolarHBondContact O-N 3.5Å; L408-M412 PolarHBondContact O-N 2.98Å |
| 409 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -58.3 | -54.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | A405 V406 R411 M412 E413 | A405-G409 PolarHBondContact O-N 3.46Å; V406-G409 PolarHBondContact O-N 3.14Å; G409-R411 VanDerWaalsContact C-N 3.26Å; G409-R411 PolarHBondContact O-N 2.75Å; G409-M412 PolarHBondContact O-N 3.05Å; G409-M412 VanDerWaalsContact O-N 3.08Å; G409-E413 WeakPolarHBondContact O-CB 3.41Å; G409-E413 PolarHBondContact O-N 3.27Å |
| 410 | L | 98.7 | Very high | 98.3 | Very high | 88 Ų | 88 | 79.3 Ų | 79.3 | 46% | 0.461 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.2 | -35.9 | 179.3 | -69 | 170.7 | 0 | 0 | 0 | 112.5 | L390 V406 E413 E414 | L390-L410 HydrophobicContact CD2-CD2 3.91Å; L390-L410 HydrophobicContact CD2-CG 4.13Å; V406-L410 HydrophobicContact CG1-CD1 4Å; V406-L410 HydrophobicContact CG1-CG 4.31Å; V406-L410 WeakPolarHBondContact O-CG 3.4Å; V406-L410 PolarHBondContact O-N 2.99Å; L410-E413 WeakPolarHBondContact CD2-OE2 3.45Å; L410-E413 WeakPolarHBondContact O-CB 3.46Å; L410-E413 PolarHBondContact O-N 2.7Å; L410-E414 PolarHBondContact O-N 3.09Å |
| 411 | R | 98.6 | Very high | 98.2 | Very high | 108 Ų | 108 | 76.4 Ų | 76.4 | 41% | 0.408 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -71.8 | -34 | 177.2 | -169.9 | 174.4 | -176.9 | -140.8 | -8.3 | 112.8 | W80 T407 L408 G409 M415 | W80-R411 VanDerWaalsContact CZ2-NH2 3.29Å; T407-R411 WeakPolarHBondContact O-CB 3.48Å; T407-R411 PolarHBondContact O-N 2.83Å; L408-R411 PolarHBondContact O-N 3.5Å; G409-R411 VanDerWaalsContact C-N 3.26Å; G409-R411 PolarHBondContact O-N 2.75Å; R411-M415 WeakPolarHBondContact O-CG 3.42Å; R411-M415 PolarHBondContact O-N 3.24Å |
| 412 | M | 98.6 | Very high | 98.2 | Very high | 75 Ų | 75 | 76.1 Ų | 76.1 | 37% | 0.369 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -71.7 | -37.9 | 173.3 | -178.6 | 168.5 | 171.9 | 0 | 0 | 111.1 | F386 L408 G409 M415 I416 | F386-M412 HydrophobicContact CD2-CB 4.21Å; F386-M412 HydrophobicContact CD2-CE 4.24Å; F386-M412 HydrophobicContact CD2-CG 3.91Å; F386-M412 HydrophobicContact CD2-SD 3.82Å; F386-M412 HydrophobicContact CE2-CB 3.92Å; F386-M412 HydrophobicContact CE2-CG 3.85Å; F386-M412 HydrophobicContact CE2-SD 4.38Å; L408-M412 PolarHBondContact O-N 2.98Å; G409-M412 PolarHBondContact O-N 3.05Å; G409-M412 VanDerWaalsContact O-N 3.08Å; M412-M415 PolarHBondContact O-N 3.06Å; M412-I416 HydrophobicContact CE-CD1 4.13Å; M412-I416 HydrophobicContact CG-CD1 3.93Å; M412-I416 VanDerWaalsContact O-CG1 3.27Å; M412-I416 WeakPolarHBondContact O-CG1 3.36Å; M412-I416 PolarHBondContact O-N 3.27Å |
| 413 | E | 98.4 | Very high | 98.2 | Very high | 64 Ų | 64 | 78.5 Ų | 78.5 | 30% | 0.299 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.4 | -51.1 | 172.9 | -176.2 | 177.9 | -118.3 | 0 | 0 | 111.5 | F386 G409 L410 M415 I416 F417 | F386-E413 HydrophobicContact CE2-CB 4.12Å; F386-E413 HydrophobicContact CZ-CB 3.81Å; F386-E413 HydrophobicContact CZ-CG 4.33Å; G409-E413 WeakPolarHBondContact O-CB 3.41Å; G409-E413 PolarHBondContact O-N 3.27Å; L410-E413 WeakPolarHBondContact CD2-OE2 3.45Å; L410-E413 WeakPolarHBondContact O-CB 3.46Å; L410-E413 PolarHBondContact O-N 2.7Å; E413-M415 VanDerWaalsContact C-N 3.29Å; E413-M415 PolarHBondContact O-N 3.1Å; E413-I416 PolarHBondContact O-N 3.19Å; E413-I416 VanDerWaalsContact O-N 3.15Å; E413-F417 HydrophobicContact CG-CD2 3.8Å; E413-F417 HydrophobicContact CG-CE2 3.59Å; E413-F417 WeakPolarHBondContact O-CD2 3.38Å; E413-F417 PolarHBondContact O-N 3.08Å |
| 414 | E | 98.4 | Very high | 98.2 | Very high | 131 Ų | 131 | 79.7 Ų | 79.7 | 61% | 0.612 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -55.3 | -42.7 | 174.6 | -176.8 | -177.4 | -164.9 | 0 | 0 | 112 | L410 N418 | L410-E414 PolarHBondContact O-N 3.09Å; E414-N418 WeakPolarHBondContact O-CB 3.33Å; E414-N418 PolarHBondContact O-N 3Å |
| 415 | M | 98.3 | Very high | 98.1 | Very high | 114 Ų | 114 | 81.1 Ų | 81.1 | 56% | 0.562 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -68.1 | -37 | 178 | -75.3 | -179.8 | 58.8 | 0 | 0 | 113.4 | R411 M412 E413 M419 | R411-M415 WeakPolarHBondContact O-CG 3.42Å; R411-M415 PolarHBondContact O-N 3.24Å; M412-M415 PolarHBondContact O-N 3.06Å; E413-M415 VanDerWaalsContact C-N 3.29Å; E413-M415 PolarHBondContact O-N 3.1Å; M415-M419 VanDerWaalsContact O-CB 3.29Å; M415-M419 WeakPolarHBondContact O-CB 3.4Å; M415-M419 PolarHBondContact O-N 3.26Å; M415-M419 VanDerWaalsContact O-N 3.09Å |
| 416 | I | 98.3 | Very high | 98.1 | Very high | 76 Ų | 76 | 84.3 Ų | 84.3 | 39% | 0.39 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66 | -52.1 | 178.1 | -71.7 | 162.5 | 0 | 0 | 0 | 109.8 | F386 M412 E413 M419 A420 | F386-I416 HydrophobicContact CE1-CD1 4.18Å; F386-I416 HydrophobicContact CE2-CD1 4.08Å; F386-I416 HydrophobicContact CZ-CD1 3.86Å; M412-I416 HydrophobicContact CE-CD1 4.13Å; M412-I416 HydrophobicContact CG-CD1 3.93Å; M412-I416 VanDerWaalsContact O-CG1 3.27Å; M412-I416 WeakPolarHBondContact O-CG1 3.36Å; M412-I416 PolarHBondContact O-N 3.27Å; E413-I416 PolarHBondContact O-N 3.19Å; E413-I416 VanDerWaalsContact O-N 3.15Å; I416-M419 PolarHBondContact O-N 3.17Å; I416-A420 WeakPolarHBondContact O-CB 3.29Å; I416-A420 PolarHBondContact O-N 2.91Å |
| 417 | F | 97.8 | Very high | 97.9 | Very high | 96 Ų | 96 | 87.2 Ų | 87.2 | 42% | 0.421 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 179.6 | -73.6 | -61.6 | 0 | 0 | 0 | 112 | E413 M419 A420 D421 F426 | E413-F417 HydrophobicContact CG-CD2 3.8Å; E413-F417 HydrophobicContact CG-CE2 3.59Å; E413-F417 WeakPolarHBondContact O-CD2 3.38Å; E413-F417 PolarHBondContact O-N 3.08Å; F417-M419 VanDerWaalsContact C-N 3.29Å; F417-M419 PolarHBondContact O-N 3.2Å; F417-A420 PolarHBondContact O-N 3.06Å; F417-D421 WeakPolarHBondContact O-CB 3.48Å; F417-D421 VanDerWaalsContact O-CG 3.31Å; F417-D421 PolarHBondContact O-N 2.75Å; F417-F426 HydrophobicContact CD1-CE1 4.24Å; F417-F426 HydrophobicContact CE1-CE1 4.27Å; F417-F426 HydrophobicContact CE1-CZ 4.42Å |
| 418 | N | 98.1 | Very high | 97.8 | Very high | 92 Ų | 92 | 89.3 Ų | 89.3 | 49% | 0.492 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.1 | -40.7 | 178 | -173.2 | -39.3 | 0 | 0 | 0 | 112.2 | E414 T422 | E414-N418 WeakPolarHBondContact O-CB 3.33Å; E414-N418 PolarHBondContact O-N 3Å; N418-T422 VanDerWaalsContact O-CB 3.22Å; N418-T422 WeakPolarHBondContact O-CB 3.41Å; N418-T422 PolarHBondContact O-N 3.24Å; N418-T422 PolarHBondContact O-OG1 2.81Å; N418-T422 PolarHBondContact OD1-OG1 3.28Å |
| 419 | M | 98.4 | Very high | 97.7 | Very high | 111 Ų | 111 | 89 Ų | 89 | 55% | 0.547 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 174.6 | -175.4 | 179.8 | -58.2 | 0 | 0 | 112.1 | M415 I416 F417 H423 | M415-M419 VanDerWaalsContact O-CB 3.29Å; M415-M419 WeakPolarHBondContact O-CB 3.4Å; M415-M419 PolarHBondContact O-N 3.26Å; M415-M419 VanDerWaalsContact O-N 3.09Å; I416-M419 PolarHBondContact O-N 3.17Å; F417-M419 VanDerWaalsContact C-N 3.29Å; F417-M419 PolarHBondContact O-N 3.2Å; M419-H423 WeakPolarHBondContact O-CB 3.31Å; M419-H423 PolarHBondContact O-N 2.81Å |
| 420 | A | 98 | Very high | 97.4 | Very high | 16 Ų | 16 | 95 Ų | 95 | 13% | 0.132 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -66 | -45.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I416 F417 L424 F425 F426 | I416-A420 WeakPolarHBondContact O-CB 3.29Å; I416-A420 PolarHBondContact O-N 2.91Å; F417-A420 PolarHBondContact O-N 3.06Å; A420-L424 CarbonylContact O-C 3.3Å; A420-L424 VanDerWaalsContact O-C 3.3Å; A420-L424 WeakPolarHBondContact O-CA 3.35Å; A420-L424 WeakPolarHBondContact O-CB 3.42Å; A420-L424 PolarHBondContact O-N 3.12Å; A420-F425 PolarHBondContact O-N 3.22Å; A420-F426 VanDerWaalsContact C-CB 3.47Å; A420-F426 HydrophobicContact CB-CB 3.76Å; A420-F426 HydrophobicContact CB-CD2 4.37Å; A420-F426 HydrophobicContact CB-CG 4.04Å; A420-F426 WeakPolarHBondContact O-CB 3.09Å; A420-F426 PolarHBondContact O-N 3.3Å |
| 421 | D | 97.1 | Very high | 97.2 | Very high | 64 Ų | 64 | 99.8 Ų | 99.8 | 34% | 0.342 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.5 | -49.5 | 176.1 | -71.7 | -36.1 | 0 | 0 | 0 | 112.1 | F417 N427 | F417-D421 WeakPolarHBondContact O-CB 3.48Å; F417-D421 VanDerWaalsContact O-CG 3.31Å; F417-D421 PolarHBondContact O-N 2.75Å; D421-N427 PolarHBondContact OD1-ND2 3.41Å |
| 422 | T | 97.9 | Very high | 97 | Very high | 85 Ų | 85 | 97.6 Ų | 97.6 | 52% | 0.521 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -79.7 | -26.9 | -170.1 | -47.7 | 0 | 0 | 0 | 0 | 113.1 | N418 | N418-T422 VanDerWaalsContact O-CB 3.22Å; N418-T422 WeakPolarHBondContact O-CB 3.41Å; N418-T422 PolarHBondContact O-N 3.24Å; N418-T422 PolarHBondContact O-OG1 2.81Å; N418-T422 PolarHBondContact OD1-OG1 3.28Å |
| 423 | H | 97.6 | Very high | 96.5 | Very high | 99 Ų | 99 | 101.7 Ų | 101.7 | 46% | 0.458 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -132 | -15.5 | -168.4 | -57.9 | -41.3 | 0 | 0 | 0 | 115.6 | M419 | M419-H423 WeakPolarHBondContact O-CB 3.31Å; M419-H423 PolarHBondContact O-N 2.81Å |
| 424 | L | 97.2 | Very high | 96.3 | Very high | 110 Ų | 110 | 103 Ų | 103 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -121.5 | 17.7 | -175.8 | -52.2 | 176.3 | 0 | 0 | 0 | 112.8 | A420 F426 | A420-L424 CarbonylContact O-C 3.3Å; A420-L424 VanDerWaalsContact O-C 3.3Å; A420-L424 WeakPolarHBondContact O-CA 3.35Å; A420-L424 WeakPolarHBondContact O-CB 3.42Å; A420-L424 PolarHBondContact O-N 3.12Å; L424-F426 PolarHBondContact O-N 2.86Å |
| 425 | F | 97 | Very high | 96.2 | Very high | 139 Ų | 139 | 103.3 Ų | 103.3 | 61% | 0.61 | 53% | 0.53 | S | S | * | . | | | trans | 55.8 | 32 | 175.6 | -51 | -83.8 | 0 | 0 | 0 | 114.1 | A420 N427 D428 L429 | A420-F425 PolarHBondContact O-N 3.22Å; F425-N427 VanDerWaalsContact C-N 3.33Å; F425-N427 PolarHBondContact O-N 2.88Å; F425-D428 HydrophobicContact CB-CB 4.39Å; F425-D428 WeakPolarHBondContact O-CA 3.22Å; F425-D428 PolarHBondContact O-N 2.87Å; F425-L429 HydrophobicContact CB-CD1 4.05Å; F425-L429 HydrophobicContact CB-CG 4.28Å; F425-L429 WeakPolarHBondContact O-CG 3.47Å; F425-L429 PolarHBondContact O-N 3.35Å; F425-L429 VanDerWaalsContact O-N 3.08Å |
| 426 | F | 96.7 | Very high | 96.1 | Very high | 74 Ų | 74 | 103 Ų | 103 | 33% | 0.325 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.6 | -41.4 | -171.1 | -175 | -107.9 | 0 | 0 | 0 | 113.5 | F417 A420 L424 D428 L429 E430 | F417-F426 HydrophobicContact CD1-CE1 4.24Å; F417-F426 HydrophobicContact CE1-CE1 4.27Å; F417-F426 HydrophobicContact CE1-CZ 4.42Å; A420-F426 VanDerWaalsContact C-CB 3.47Å; A420-F426 HydrophobicContact CB-CB 3.76Å; A420-F426 HydrophobicContact CB-CD2 4.37Å; A420-F426 HydrophobicContact CB-CG 4.04Å; A420-F426 WeakPolarHBondContact O-CB 3.09Å; A420-F426 PolarHBondContact O-N 3.3Å; L424-F426 PolarHBondContact O-N 2.86Å; F426-D428 PolarHBondContact O-N 3.22Å; F426-L429 CarbonylContact O-C 3.54Å; F426-L429 PolarHBondContact O-N 3.41Å; F426-E430 HydrophobicContact CE1-CB 4.2Å; F426-E430 HydrophobicContact CE2-CB 4.26Å; F426-E430 HydrophobicContact CZ-CB 4.01Å; F426-E430 WeakPolarHBondContact O-CB 3.42Å; F426-E430 PolarHBondContact O-N 3.45Å |
| 427 | N | 95.1 | Very high | 95.9 | Very high | 105 Ų | 105 | 106.3 Ų | 106.3 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60 | -27.9 | 174.7 | -66.6 | -90.3 | 0 | 0 | 0 | 114 | D421 F425 | D421-N427 PolarHBondContact OD1-ND2 3.41Å; F425-N427 VanDerWaalsContact C-N 3.33Å; F425-N427 PolarHBondContact O-N 2.88Å |
| 428 | D | 96.3 | Very high | 95.9 | Very high | 131 Ų | 131 | 106.1 Ų | 106.1 | 70% | 0.701 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -88.9 | -18.7 | 178 | -57.4 | -47.9 | 0 | 0 | 0 | 112 | F425 F426 | F425-D428 HydrophobicContact CB-CB 4.39Å; F425-D428 WeakPolarHBondContact O-CA 3.22Å; F425-D428 PolarHBondContact O-N 2.87Å; F426-D428 PolarHBondContact O-N 3.22Å |
| 429 | L | 96.1 | Very high | 95.7 | Very high | 91 Ų | 91 | 105.8 Ų | 105.8 | 48% | 0.476 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -116.2 | -6 | -170.7 | -63.3 | 179 | 0 | 0 | 0 | 114.4 | F425 F426 E431 C432 | F425-L429 HydrophobicContact CB-CD1 4.05Å; F425-L429 HydrophobicContact CB-CG 4.28Å; F425-L429 WeakPolarHBondContact O-CG 3.47Å; F425-L429 PolarHBondContact O-N 3.35Å; F425-L429 VanDerWaalsContact O-N 3.08Å; F426-L429 CarbonylContact O-C 3.54Å; F426-L429 PolarHBondContact O-N 3.41Å; L429-E431 PolarHBondContact O-N 3.5Å; L429-C432 WeakPolarHBondContact O-CB 3.5Å; L429-C432 PolarHBondContact O-N 3.38Å |
| 430 | E | 93.9 | Very high | 95.6 | Very high | 125 Ų | 125 | 104.1 Ų | 104.1 | 58% | 0.584 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -25.6 | -175.6 | 64.3 | 168.7 | -173.6 | 0 | 0 | 114 | F426 C432 | F426-E430 HydrophobicContact CE1-CB 4.2Å; F426-E430 HydrophobicContact CE2-CB 4.26Å; F426-E430 HydrophobicContact CZ-CB 4.01Å; F426-E430 WeakPolarHBondContact O-CB 3.42Å; F426-E430 PolarHBondContact O-N 3.45Å; E430-C432 VanDerWaalsContact C-N 3.34Å |
| 431 | E | 94.2 | Very high | 95.5 | Very high | 190 Ų | 190 | 106.6 Ų | 106.6 | 89% | 0.888 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 1.4 | 174.4 | -58.3 | -167.3 | 156.4 | 0 | 0 | 113.3 | L429 | L429-E431 PolarHBondContact O-N 3.5Š|
| 432 | C | 92.8 | Very high | 95.4 | Very high | 62 Ų | 62 | 108.4 Ų | 108.4 | 42% | 0.419 | 58% | 0.575 | S | S | . | * | | | trans | -96.5 | 104.3 | -173.7 | -156.9 | 0 | 0 | 0 | 0 | 112.1 | L429 E430 Q434 | L429-C432 WeakPolarHBondContact O-CB 3.5Å; L429-C432 PolarHBondContact O-N 3.38Å; E430-C432 VanDerWaalsContact C-N 3.34Å; C432-Q434 VanDerWaalsContact C-N 3.29Å; C432-Q434 PolarHBondContact O-N 3.18Å |
| 433 | D | 88.9 | Confident | 95.3 | Very high | 160 Ų | 160 | 111.3 Ų | 111.3 | 86% | 0.856 | 59% | 0.587 | S | S | * | * | | | trans | -80.9 | 63.2 | -177.3 | -167.2 | 26.8 | 0 | 0 | 0 | 112.6 | | |
| 434 | Q | 94.6 | Very high | 95.3 | Very high | 93 Ų | 93 | 111.7 Ų | 111.7 | 44% | 0.435 | 59% | 0.593 | S | S | . | * | | | trans | -94.1 | 142.8 | 176.1 | -57.7 | -60.3 | -21.1 | 0 | 0 | 111.7 | C432 D439 | C432-Q434 VanDerWaalsContact C-N 3.29Å; C432-Q434 PolarHBondContact O-N 3.18Å; Q434-D439 VanDerWaalsContact OE1-CB 3.25Å |
| 435 | V | 95.5 | Very high | 95.3 | Very high | 137 Ų | 137 | 112.5 Ų | 112.5 | 83% | 0.83 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -98.7 | -32.1 | -179.6 | -179 | 0 | 0 | 0 | 0 | 111.2 | D439 | V435-D439 PolarHBondContact N-OD2 2.97Å; V435-D439 VanDerWaalsContact N-OD2 3.1Å |
| 436 | H | 96 | Very high | 95.3 | Very high | 107 Ų | 107 | 108.9 Ų | 108.9 | 50% | 0.495 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -133.2 | 149.4 | 178.1 | -160.2 | -103.5 | 0 | 0 | 0 | 111.4 | D438 D439 | H436-D438 IonicContact CE1-OD2 3.09Å; H436-D438 PolarHBondContact CE1-OD2 3.39Å; H436-D438 PolarHBondContact ND1-N 3.35Å; H436-D438 IonicContact ND1-OD2 3.32Å; H436-D438 PolarHBondContact ND1-OD2 3.37Å; H436-D438 PolarHBondContact O-N 3.01Å; H436-D439 PolarHBondContact N-OD2 3.02Å; H436-D439 WeakPolarHBondContact O-CB 3.4Å; H436-D439 PolarHBondContact O-N 3.5Å |
| 437 | I | 95.1 | Very high | 95.3 | Very high | 145 Ų | 145 | 111.7 Ų | 111.7 | 74% | 0.744 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -61.2 | -29.7 | -179.2 | -172.3 | 159.4 | 0 | 0 | 0 | 113.1 | | |
| 438 | D | 96.5 | Very high | 95.4 | Very high | 93 Ų | 93 | 112 Ų | 112 | 50% | 0.497 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -86 | -3.3 | -178.5 | -58.2 | -46.2 | 0 | 0 | 0 | 114.1 | H436 V440 S441 | H436-D438 IonicContact CE1-OD2 3.09Å; H436-D438 PolarHBondContact CE1-OD2 3.39Å; H436-D438 PolarHBondContact ND1-N 3.35Å; H436-D438 IonicContact ND1-OD2 3.32Å; H436-D438 PolarHBondContact ND1-OD2 3.37Å; H436-D438 PolarHBondContact O-N 3.01Å; D438-V440 PolarHBondContact O-N 3.37Å; D438-V440 VanDerWaalsContact O-N 3.09Å; D438-S441 VanDerWaalsContact O-CB 3.31Å; D438-S441 WeakPolarHBondContact O-CB 3.17Å; D438-S441 PolarHBondContact O-N 3.48Å; D438-S441 PolarHBondContact O-OG 3.4Å |
| 439 | D | 95.8 | Very high | 95.4 | Very high | 84 Ų | 84 | 113.4 Ų | 113.4 | 45% | 0.449 | 62% | 0.622 | S | S | . | * | G | 310 helix | trans | -60.3 | -23.6 | -175.1 | -74.4 | -20.3 | 0 | 0 | 0 | 112.8 | Q434 V435 H436 | Q434-D439 VanDerWaalsContact OE1-CB 3.25Å; V435-D439 PolarHBondContact N-OD2 2.97Å; V435-D439 VanDerWaalsContact N-OD2 3.1Å; H436-D439 PolarHBondContact N-OD2 3.02Å; H436-D439 WeakPolarHBondContact O-CB 3.4Å; H436-D439 PolarHBondContact O-N 3.5Å |
| 440 | V | 94.7 | Very high | 95.1 | Very high | 76 Ų | 76 | 122.7 Ų | 122.7 | 46% | 0.461 | 65% | 0.651 | S | S | . | * | G | 310 helix | trans | -110.2 | 6.6 | 177.2 | -63.3 | 0 | 0 | 0 | 0 | 114 | D438 S442 D443 | D438-V440 PolarHBondContact O-N 3.37Å; D438-V440 VanDerWaalsContact O-N 3.09Å; V440-S442 PolarHBondContact O-N 3.35Å; V440-S442 VanDerWaalsContact O-N 3.1Å; V440-D443 PolarHBondContact O-N 3.17Å |
| 441 | S | 95.8 | Very high | 95.2 | Very high | 69 Ų | 69 | 122.6 Ų | 122.6 | 48% | 0.483 | 65% | 0.654 | S | S | . | * | G | 310 helix | trans | -64.7 | -16.1 | -175.1 | 63.8 | 0 | 0 | 0 | 0 | 114.6 | D438 D443 D444 | D438-S441 VanDerWaalsContact O-CB 3.31Å; D438-S441 WeakPolarHBondContact O-CB 3.17Å; D438-S441 PolarHBondContact O-N 3.48Å; D438-S441 PolarHBondContact O-OG 3.4Å; S441-D443 PolarHBondContact O-N 3.27Å; S441-D444 PolarHBondContact O-N 3.37Å |
| 442 | S | 96.7 | Very high | 95.2 | Very high | 102 Ų | 102 | 119.1 Ų | 119.1 | 71% | 0.713 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -68.7 | -21 | 177.7 | 57.4 | 0 | 0 | 0 | 0 | 114.3 | V440 | V440-S442 PolarHBondContact O-N 3.35Å; V440-S442 VanDerWaalsContact O-N 3.1Å |
| 443 | D | 95.7 | Very high | 95.4 | Very high | 145 Ų | 145 | 122.2 Ų | 122.2 | 78% | 0.775 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -92.4 | -6.5 | 179.2 | -63.6 | -29.8 | 0 | 0 | 0 | 112.3 | V440 S441 | V440-D443 PolarHBondContact O-N 3.17Å; S441-D443 PolarHBondContact O-N 3.27Å |
| 444 | D | 96.8 | Very high | 95.7 | Very high | 108 Ų | 108 | 120 Ų | 120 | 58% | 0.578 | 64% | 0.642 | S | S | * | * | | | trans | -74.1 | 136.9 | 174.1 | -175.1 | 17.2 | 0 | 0 | 0 | 111.2 | S441 G446 | S441-D444 PolarHBondContact O-N 3.37Å; D444-G446 PolarHBondContact OD1-N 3.49Å |
| 445 | N | 97.3 | Very high | 95.8 | Very high | 127 Ų | 127 | 121.7 Ų | 121.7 | 68% | 0.679 | 66% | 0.655 | S | S | * | * | | | trans | -96.7 | -0.4 | 175.1 | 67.1 | 14.6 | 0 | 0 | 0 | 113 | Q447 | N445-Q447 WeakPolarHBondContact OD1-CB 3.44Å; N445-Q447 PolarHBondContact OD1-N 3.39Å |
| 446 | G | 97.1 | Very high | 95.8 | Very high | 62 Ų | 62 | 120.7 Ų | 120.7 | 64% | 0.639 | 64% | 0.644 | S | S | * | * | | | trans | 74.3 | 22.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D444 | D444-G446 PolarHBondContact OD1-N 3.49Š|
| 447 | Q | 97.4 | Very high | 95.8 | Very high | 133 Ų | 133 | 121.6 Ų | 121.6 | 62% | 0.621 | 65% | 0.654 | S | S | * | * | | | trans | -69.1 | 143.5 | 175.8 | 178 | -179.7 | -40 | 0 | 0 | 111.6 | N445 | N445-Q447 WeakPolarHBondContact OD1-CB 3.44Å; N445-Q447 PolarHBondContact OD1-N 3.39Å |
| 448 | D | 97.3 | Very high | 95.9 | Very high | 113 Ų | 113 | 119.8 Ų | 119.8 | 60% | 0.604 | 65% | 0.647 | S | S | * | * | | | trans | -64.6 | 134.8 | 172.8 | -167.3 | 15.9 | 0 | 0 | 0 | 111.8 | R450 | D448-R450 WeakPolarHBondContact OD1-CD 3.09Å; D448-R450 VanDerWaalsContact OD1-CG 3.29Å; D448-R450 WeakPolarHBondContact OD1-CG 3.29Å |
| 449 | L | 96.1 | Very high | 95.8 | Very high | 159 Ų | 159 | 122.1 Ų | 122.1 | 83% | 0.832 | 66% | 0.66 | S | S | * | * | | | trans | -110.9 | 24.5 | -173.4 | -58 | -179.9 | 0 | 0 | 0 | 112.8 | | |
| 450 | R | 89.5 | Confident | 95.8 | Very high | 287 Ų | 287 | 125.5 Ų | 125.5 | 100% | 1.083 | 68% | 0.679 | S | S | * | * | | | trans | -90.5 | 0 | -173.8 | -77 | 177.5 | 171.7 | -166.7 | -0 | 115.7 | D448 | D448-R450 WeakPolarHBondContact OD1-CD 3.09Å; D448-R450 VanDerWaalsContact OD1-CG 3.29Å; D448-R450 WeakPolarHBondContact OD1-CG 3.29Å |