| 1 | M | 54.3 | Low | 55.7 | Low | 240 Ų | 240 | 159.9 Ų | 159.9 | 100% | 1.182 | 84% | 0.839 | S | S | * | * | | | | 0 | 159.5 | 0 | -82.6 | 173.3 | 158.6 | 0 | 0 | 108.5 | | |
| 2 | S | 56.3 | Low | 55.7 | Low | 127 Ų | 127 | 158.6 Ų | 158.6 | 89% | 0.888 | 84% | 0.842 | S | S | * | * | | | trans | 67.4 | 139.3 | -171.9 | -53.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 3 | T | 62.9 | Low | 54.9 | Low | 128 Ų | 128 | 157.3 Ų | 157.3 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | | | trans | -123.7 | 152.8 | -158.8 | 40.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 4 | V | 54.5 | Low | 54.3 | Low | 135 Ų | 135 | 163.6 Ų | 163.6 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | | | trans | -74.9 | 136.7 | 168.3 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 5 | F | 63.9 | Low | 53.6 | Low | 182 Ų | 182 | 162.1 Ų | 162.1 | 80% | 0.798 | 84% | 0.835 | S | S | * | * | | | trans | -111.9 | 106.2 | 168.1 | -116.1 | -89.2 | 0 | 0 | 0 | 109.9 | | |
| 6 | M | 53.3 | Low | 53.4 | Low | 169 Ų | 169 | 162.1 Ų | 162.1 | 83% | 0.833 | 83% | 0.832 | S | S | * | * | | | trans | -96 | 129.2 | 158.5 | -82.3 | -159.8 | 73.2 | 0 | 0 | 108.7 | | |
| 7 | T | 64.6 | Low | 53.1 | Low | 136 Ų | 136 | 162.7 Ų | 162.7 | 83% | 0.834 | 83% | 0.831 | S | S | * | * | | | trans | -96.3 | 138.4 | 172.9 | -28.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 8 | Q | 54.2 | Low | 52.3 | Low | 165 Ų | 165 | 158.2 Ų | 158.2 | 77% | 0.771 | 83% | 0.831 | S | S | * | * | | | trans | -128 | 112.7 | -155.4 | 175.4 | 176.8 | 14.7 | 0 | 0 | 113.2 | | |
| 9 | L | 47.3 | Very low | 51.9 | Low | 136 Ų | 136 | 160.5 Ų | 160.5 | 71% | 0.712 | 84% | 0.837 | S | S | * | * | | | trans | 63 | -175.3 | 151.6 | -85.1 | 168.9 | 0 | 0 | 0 | 114.8 | | |
| 10 | P | 50.3 | Low | 51.5 | Low | 116 Ų | 116 | 160.3 Ų | 160.3 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | | | cis | -125.7 | 170.4 | 9.8 | 42.4 | -26.5 | 0 | 0 | 0 | 118.4 | | |
| 11 | R | 50.9 | Low | 51.4 | Low | 225 Ų | 225 | 159.7 Ų | 159.7 | 85% | 0.849 | 83% | 0.829 | S | S | * | * | | | trans | -70.3 | 141.1 | 166.7 | -61.5 | 168.2 | 173.1 | 146 | -4.7 | 109.9 | | |
| 12 | T | 56.2 | Low | 50.9 | Low | 144 Ų | 144 | 155.8 Ų | 155.8 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | | | trans | -119.4 | 146.9 | 153.8 | 50.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 13 | L | 45.4 | Very low | 50.2 | Low | 142 Ų | 142 | 153.1 Ų | 153.1 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | | | trans | -139.1 | 123.7 | -163.4 | -165.8 | -176.8 | 0 | 0 | 0 | 108.1 | L15 | L13-L15 HydrophobicContact CD2-CD1 3.61Š|
| 14 | R | 46 | Very low | 49.3 | Very low | 246 Ų | 246 | 155.2 Ų | 155.2 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | | | trans | -141.8 | 130.9 | 156.6 | -80.7 | -155.1 | 166.3 | 177.8 | -3.6 | 111.9 | | |
| 15 | L | 44.1 | Very low | 48.5 | Very low | 141 Ų | 141 | 158 Ų | 158 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | | | trans | -83.2 | 155.2 | 156.1 | -79.2 | 69 | 0 | 0 | 0 | 108.7 | L13 | L13-L15 HydrophobicContact CD2-CD1 3.61Š|
| 16 | M | 50.2 | Low | 47.9 | Very low | 162 Ų | 162 | 155.2 Ų | 155.2 | 80% | 0.798 | 81% | 0.808 | S | S | * | * | | | trans | 177 | 127.7 | 133 | -93.8 | 169.8 | 133.1 | 0 | 0 | 105.1 | | |
| 17 | E | 49.1 | Very low | 47.3 | Very low | 172 Ų | 172 | 151.4 Ų | 151.4 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | | 56.3 | 121.8 | 77.5 | -61.4 | 176.7 | 121 | 0 | 0 | 111.4 | | |
| 18 | G | 37.8 | Very low | 46.4 | Very low | 81 Ų | 81 | 150.6 Ų | 150.6 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | cis | 142.1 | 81 | -2.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 19 | E | 45.1 | Very low | 45.8 | Very low | 202 Ų | 202 | 148.3 Ų | 148.3 | 94% | 0.944 | 80% | 0.801 | S | S | * | * | | | trans | -138.8 | 168.9 | -172.7 | -159.2 | 152.6 | 81.1 | 0 | 0 | 113.1 | | |
| 20 | Q | 43 | Very low | 45.7 | Very low | 156 Ų | 156 | 151.4 Ų | 151.4 | 73% | 0.729 | 81% | 0.809 | S | S | * | * | | | trans | -148.2 | 106.3 | -146.3 | 176.2 | -172.4 | -30.7 | 0 | 0 | 113.2 | | |
| 21 | D | 50.5 | Low | 45.6 | Very low | 148 Ų | 148 | 154.1 Ų | 154.1 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | | | trans | -130.3 | 127 | 158.4 | -87.6 | -47.6 | 0 | 0 | 0 | 108.5 | | |
| 22 | Q | 42.2 | Very low | 45.1 | Very low | 158 Ų | 158 | 150 Ų | 150 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | | | cis | 83.3 | 132.9 | 43.5 | -63.6 | -170.2 | 98.5 | 0 | 0 | 114.3 | | |
| 23 | G | 43.6 | Very low | 44.8 | Very low | 72 Ų | 72 | 147.9 Ų | 147.9 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | | | trans | 91.4 | 136.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 24 | L | 42.3 | Very low | 44.7 | Very low | 172 Ų | 172 | 150.2 Ų | 150.2 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | | | cis | -156.8 | 138.5 | -20.3 | -153.4 | 70.7 | 0 | 0 | 0 | 108.3 | | |
| 25 | F | 38.9 | Very low | 45 | Very low | 192 Ų | 192 | 146 Ų | 146 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | | | trans | -82.5 | 159.6 | 173.4 | -92.9 | -93.7 | 0 | 0 | 0 | 111.3 | | |
| 26 | P | 51 | Low | 45.6 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | | | | -121.8 | 148.9 | 117.8 | 35.1 | -33.2 | 0 | 0 | 0 | 112.1 | | |
| 27 | A | 40.2 | Very low | 45.8 | Very low | 89 Ų | 89 | 142.3 Ų | 142.3 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | | | trans | -99.8 | 147.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 28 | S | 46.4 | Very low | 46.3 | Very low | 119 Ų | 119 | 141 Ų | 141 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | trans | -127.1 | 94.9 | 162.6 | 48.2 | 0 | 0 | 0 | 0 | 109.9 | F30 | S28-F30 PolarHBondContact O-N 2.93Š|
| 29 | T | 40.6 | Very low | 47.1 | Very low | 117 Ų | 117 | 145 Ų | 145 | 72% | 0.718 | 80% | 0.803 | S | S | * | * | | | trans | -62.3 | 124.9 | 175.2 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 30 | F | 46.3 | Very low | 47.7 | Very low | 201 Ų | 201 | 143.7 Ų | 143.7 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | | | trans | -140.1 | 149.9 | 154.3 | -97 | -71.9 | 0 | 0 | 0 | 112.5 | S28 | S28-F30 PolarHBondContact O-N 2.93Š|
| 31 | H | 47.6 | Very low | 47.9 | Very low | 173 Ų | 173 | 141.1 Ų | 141.1 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | | | trans | -66.4 | 150.2 | -157.4 | -98 | -123.7 | 0 | 0 | 0 | 116 | A33 | H31-A33 PolarHBondContact O-N 3.25Š|
| 32 | V | 40.4 | Very low | 47.7 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | | | trans | -67.7 | 119 | 156.4 | 175.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 33 | A | 49.4 | Very low | 47.8 | Very low | 100 Ų | 100 | 144 Ų | 144 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | | | trans | -111.9 | 146.8 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | H31 | H31-A33 PolarHBondContact O-N 3.25Š|
| 34 | K | 43.4 | Very low | 48 | Very low | 191 Ų | 191 | 148.7 Ų | 148.7 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | | | trans | -126.7 | 109.9 | -165.7 | 172.3 | -172.4 | 172.1 | -176.7 | 0 | 110.4 | | |
| 35 | D | 52.9 | Low | 48.5 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | | | trans | -174.6 | 169.4 | 169.4 | -97.4 | -33.6 | 0 | 0 | 0 | 109.5 | | |
| 36 | P | 57.4 | Low | 48.8 | Very low | 102 Ų | 102 | 142.5 Ų | 142.5 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | | | cis | -125.3 | 177.1 | -46.4 | 33.8 | -17 | 0 | 0 | 0 | 110.6 | | |
| 37 | P | 52.9 | Low | 49.2 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | | | trans | -67.6 | 146.3 | -178.8 | 26.3 | -35.3 | 0 | 0 | 0 | 114.2 | L39 | P37-L39 PolarHBondContact O-N 2.8Å; P37-L39 VanDerWaalsContact O-N 3.14Å |
| 38 | I | 59.9 | Low | 49.4 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | | | trans | -75.2 | 101.7 | -175.4 | -52.6 | 174 | 0 | 0 | 0 | 110.9 | F40 | I38-F40 HydrophobicContact CG2-CE2 4.33Š|
| 39 | L | 55.8 | Low | 49.6 | Very low | 164 Ų | 164 | 147.1 Ų | 147.1 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | | | trans | -71.6 | 125 | 167.5 | -94.3 | 158 | 0 | 0 | 0 | 110.7 | P37 P41 | P37-L39 PolarHBondContact O-N 2.8Å; P37-L39 VanDerWaalsContact O-N 3.14Å; L39-P41 WeakPolarHBondContact O-CD 3.44Å |
| 40 | F | 56.9 | Low | 49.8 | Very low | 175 Ų | 175 | 146.9 Ų | 146.9 | 77% | 0.768 | 80% | 0.796 | S | S | * | * | | | trans | -95.2 | 110.6 | 173.7 | -76.1 | -90.3 | 0 | 0 | 0 | 110.6 | I38 F42 | I38-F40 HydrophobicContact CG2-CE2 4.33Å; F40-F42 PolarHBondContact O-N 2.84Å |
| 41 | P | 47.8 | Very low | 49.5 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | | | trans | -96.4 | 48 | -170 | 39.1 | -37.3 | 0 | 0 | 0 | 113.5 | L39 | L39-P41 WeakPolarHBondContact O-CD 3.44Š|
| 42 | F | 46.4 | Very low | 49.3 | Very low | 182 Ų | 182 | 141.6 Ų | 141.6 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | | | trans | -133.1 | 53.4 | -174.9 | -58.9 | -67.2 | 0 | 0 | 0 | 114.1 | F40 | F40-F42 PolarHBondContact O-N 2.84Š|
| 43 | M | 43.2 | Very low | 49.5 | Very low | 184 Ų | 184 | 141 Ų | 141 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | | | trans | -132.5 | 85.9 | 162.8 | -76.2 | -168.2 | 68.2 | 0 | 0 | 110.3 | | |
| 44 | I | 47.6 | Very low | 49.2 | Very low | 171 Ų | 171 | 144.8 Ų | 144.8 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | | | trans | -129.2 | 120.9 | 162.9 | -61.4 | -176.7 | 0 | 0 | 0 | 108 | | |
| 45 | T | 52.9 | Low | 49.1 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 139.1 | -179.1 | -49.7 | 0 | 0 | 0 | 0 | 110.7 | P47 | T45-P47 VanDerWaalsContact O-CD 3.3Å; T45-P47 WeakPolarHBondContact O-CD 3.49Å |
| 46 | S | 45.4 | Very low | 48.8 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 120.2 | 170.6 | -52.4 | 0 | 0 | 0 | 0 | 111 | | |
| 47 | P | 60.4 | Low | 48 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 132.7 | 166.6 | 32.4 | -31.3 | 0 | 0 | 0 | 109.9 | T45 | T45-P47 VanDerWaalsContact O-CD 3.3Å; T45-P47 WeakPolarHBondContact O-CD 3.49Å |
| 48 | V | 44.7 | Very low | 47.8 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 130.7 | 167.4 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | V50 | V48-V50 HydrophobicContact CG1-CG2 4.12Š|
| 49 | H | 49.3 | Very low | 47.2 | Very low | 175 Ų | 175 | 144.5 Ų | 144.5 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | | | trans | -113.7 | 128.3 | 176.6 | -150.5 | -73 | 0 | 0 | 0 | 110.1 | | |
| 50 | V | 44.9 | Very low | 46.5 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | | | trans | -139.3 | 129.7 | -178.1 | 172.1 | 0 | 0 | 0 | 0 | 108.1 | V48 | V48-V50 HydrophobicContact CG1-CG2 4.12Š|
| 51 | D | 40 | Very low | 46.1 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 60% | 0.604 | 78% | 0.775 | S | S | * | * | | | trans | 57.9 | 155.8 | 178.8 | -93.3 | -94.2 | 0 | 0 | 0 | 115.9 | | |
| 52 | Q | 44.7 | Very low | 46.4 | Very low | 150 Ų | 150 | 143 Ų | 143 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | cis | -167.1 | 113.7 | 47.1 | -178.1 | 95.3 | 113.2 | 0 | 0 | 112.2 | | |
| 53 | L | 43.2 | Very low | 46.1 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | | | trans | 61.7 | 166.3 | 148.8 | -55.2 | 173.6 | 0 | 0 | 0 | 123.2 | | |
| 54 | Q | 43.2 | Very low | 46.2 | Very low | 180 Ų | 180 | 142.2 Ų | 142.2 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | | | trans | 60.8 | 131.8 | 173.4 | -88.2 | 77.2 | 34.4 | 0 | 0 | 119.2 | | |
| 55 | G | 41.3 | Very low | 46.1 | Very low | 74 Ų | 74 | 137.3 Ų | 137.3 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | | | trans | 176.6 | -13.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 56 | Q | 46.7 | Very low | 45.3 | Very low | 184 Ų | 184 | 140.6 Ų | 140.6 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | 51.7 | 117.4 | 167.5 | -60.5 | 179.2 | -6.5 | 0 | 0 | 121.5 | | |
| 57 | S | 40.9 | Very low | 45.1 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | trans | 68.6 | 162.9 | 152.9 | 81.8 | 0 | 0 | 0 | 0 | 117.9 | | |
| 58 | S | 49.6 | Very low | 44.2 | Very low | 100 Ų | 100 | 144.5 Ų | 144.5 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | | | cis | -148.7 | 160.1 | 9.7 | -160.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 59 | Y | 45.8 | Very low | 44 | Very low | 234 Ų | 234 | 145.4 Ų | 145.4 | 92% | 0.918 | 79% | 0.79 | S | S | * | * | | | trans | -2.1 | 134.3 | 168.1 | -81.1 | -100.1 | 0 | 0 | 0 | 121.2 | | |
| 60 | G | 42.9 | Very low | 43.2 | Very low | 81 Ų | 81 | 141.9 Ų | 141.9 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | | | trans | 179.6 | 80.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 61 | D | 47.1 | Very low | 42.9 | Very low | 130 Ų | 130 | 145.5 Ų | 145.5 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | | | trans | -78.9 | 141.3 | -177.1 | 177.7 | 35 | 0 | 0 | 0 | 113.8 | H63 | D61-H63 PolarHBondContact OD1-N 3.22Š|
| 62 | Q | 53.7 | Low | 42.9 | Very low | 197 Ų | 197 | 144.1 Ų | 144.1 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | | | trans | -160.9 | 105.7 | 145.2 | -116 | 149.4 | 107.8 | 0 | 0 | 111.5 | | |
| 63 | H | 41.7 | Very low | 42.7 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 79% | 0.787 | 81% | 0.806 | S | S | * | * | | | trans | -94.1 | 109.4 | -165.7 | 176.2 | -80 | 0 | 0 | 0 | 113.9 | D61 | D61-H63 PolarHBondContact OD1-N 3.22Š|
| 64 | L | 44.4 | Very low | 42.7 | Very low | 179 Ų | 179 | 145 Ų | 145 | 94% | 0.937 | 81% | 0.806 | S | S | * | * | | | trans | -154 | 121 | 163.1 | -162.8 | 66.6 | 0 | 0 | 0 | 113.9 | | |
| 65 | G | 45.1 | Very low | 42.4 | Very low | 69 Ų | 69 | 144.4 Ų | 144.4 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | | | trans | 100.4 | 43.1 | 152.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 66 | Q | 36.7 | Very low | 42.2 | Very low | 196 Ų | 196 | 150 Ų | 150 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | | | trans | -90.6 | 105.6 | 161.3 | -83.6 | -164.3 | 10.5 | 0 | 0 | 112.4 | | |
| 67 | H | 40.4 | Very low | 41.8 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | | | trans | -168.4 | 134.2 | 154.8 | -119.1 | -119.3 | 0 | 0 | 0 | 104.5 | | |
| 68 | V | 41.8 | Very low | 41.8 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | | | cis | -131.8 | 145.3 | 16.6 | 177.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 69 | L | 40.2 | Very low | 41.5 | Very low | 151 Ų | 151 | 151.5 Ų | 151.5 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | -84.2 | 144.1 | 171.7 | -102.3 | 167.4 | 0 | 0 | 0 | 111.7 | | |
| 70 | S | 34.1 | Very low | 41.7 | Very low | 102 Ų | 102 | 145.2 Ų | 145.2 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | | | trans | 42.5 | 99.4 | 152 | 61.9 | 0 | 0 | 0 | 0 | 119 | | |
| 71 | E | 38 | Very low | 41.8 | Very low | 189 Ų | 189 | 149.7 Ų | 149.7 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | | | trans | -153.9 | 168.4 | 149.9 | -125.9 | -178.8 | 123.3 | 0 | 0 | 113.2 | | |
| 72 | S | 40.7 | Very low | 41.9 | Very low | 83 Ų | 83 | 151.7 Ų | 151.7 | 58% | 0.58 | 79% | 0.788 | S | S | * | * | | | trans | 61.5 | 75.2 | 171.3 | -158.7 | 0 | 0 | 0 | 0 | 118.5 | Q74 | S72-Q74 VanDerWaalsContact C-N 3.28Å; S72-Q74 PolarHBondContact O-N 3.24Å; S72-Q74 WeakPolarHBondContact OG-CB 3.36Å; S72-Q74 PolarHBondContact OG-N 2.99Å |
| 73 | T | 39.2 | Very low | 41.4 | Very low | 154 Ų | 154 | 148 Ų | 148 | 95% | 0.945 | 78% | 0.784 | S | S | * | * | | | trans | -81.1 | 82.5 | 135 | -63.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 74 | Q | 43.3 | Very low | 41.1 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | | | trans | -131.6 | 117.9 | 174.9 | -64.1 | -170.6 | 6.2 | 0 | 0 | 113.6 | S72 F76 | S72-Q74 VanDerWaalsContact C-N 3.28Å; S72-Q74 PolarHBondContact O-N 3.24Å; S72-Q74 WeakPolarHBondContact OG-CB 3.36Å; S72-Q74 PolarHBondContact OG-N 2.99Å; Q74-F76 PolarHBondContact O-N 3.46Å |
| 75 | Q | 37.3 | Very low | 41 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | | | trans | 40.6 | 76.7 | 131.9 | -55.4 | -175.4 | 8.6 | 0 | 0 | 117.5 | T77 | Q75-T77 PolarHBondContact O-N 2.71Š|
| 76 | F | 37.8 | Very low | 40.8 | Very low | 193 Ų | 193 | 143.7 Ų | 143.7 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | trans | -76.9 | 72.5 | 159.4 | -156.4 | -90.1 | 0 | 0 | 0 | 110.6 | Q74 | Q74-F76 PolarHBondContact O-N 3.46Š|
| 77 | T | 38.1 | Very low | 41.3 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 66% | 0.656 | 77% | 0.768 | S | S | * | * | | | trans | -123.3 | 58.6 | 173.3 | 45.7 | 0 | 0 | 0 | 0 | 110.4 | Q75 R79 | Q75-T77 PolarHBondContact O-N 2.71Å; T77-R79 PolarHBondContact O-N 2.93Å |
| 78 | D | 40.8 | Very low | 41.3 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | trans | -66.7 | 107.8 | 161.2 | -103.6 | -34.5 | 0 | 0 | 0 | 107.7 | | |
| 79 | R | 43.3 | Very low | 42 | Very low | 199 Ų | 199 | 139.7 Ų | 139.7 | 75% | 0.751 | 76% | 0.762 | S | S | * | * | | | cis | 92.5 | 114.7 | 38.9 | -164.9 | -155.6 | 153.6 | 110.8 | -2.2 | 111.9 | T77 | T77-R79 PolarHBondContact O-N 2.93Š|
| 80 | T | 49.1 | Very low | 42.3 | Very low | 103 Ų | 103 | 144.1 Ų | 144.1 | 63% | 0.632 | 77% | 0.768 | S | S | * | * | | | trans | 73.3 | 121.9 | 156.2 | 39.2 | 0 | 0 | 0 | 0 | 122 | | |
| 81 | M | 44.8 | Very low | 43.1 | Very low | 174 Ų | 174 | 150.5 Ų | 150.5 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | | | | 82.4 | 71.7 | 129.4 | -59.4 | -95 | -85.3 | 0 | 0 | 120 | | |
| 82 | I | 50.5 | Low | 43.9 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | | | trans | -128.3 | 128 | 131.1 | -63.4 | -175.9 | 0 | 0 | 0 | 107.9 | | |
| 83 | S | 41.2 | Very low | 44.5 | Very low | 120 Ų | 120 | 147.1 Ų | 147.1 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | | | trans | -84.5 | 138.4 | 172.3 | -169.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 84 | G | 37.2 | Very low | 45.5 | Very low | 69 Ų | 69 | 145.3 Ų | 145.3 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | | | trans | -171.9 | 62.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E86 | G84-E86 PolarHBondContact O-N 3.28Š|
| 85 | S | 40.8 | Very low | 45.9 | Very low | 110 Ų | 110 | 147.8 Ų | 147.8 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -78.8 | 78.6 | -178 | 55.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 86 | E | 42.4 | Very low | 46.2 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | | | trans | -115.5 | 108.1 | 169.9 | -79.9 | -62.5 | 163.6 | 0 | 0 | 111.2 | G84 F88 | G84-E86 PolarHBondContact O-N 3.28Å; E86-F88 VanDerWaalsContact C-N 3.28Å; E86-F88 HydrophobicContact CB-CD2 3.99Å; E86-F88 HydrophobicContact CB-CE2 3.85Å; E86-F88 PolarHBondContact O-N 3.26Å |
| 87 | V | 45.6 | Very low | 46.7 | Very low | 137 Ų | 137 | 141.7 Ų | 141.7 | 83% | 0.83 | 76% | 0.762 | S | S | * | * | | | trans | -81.8 | 75.2 | -177.6 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | P89 | V87-P89 WeakPolarHBondContact O-CD 3.46Š|
| 88 | F | 42.3 | Very low | 47.2 | Very low | 175 Ų | 175 | 142.2 Ų | 142.2 | 77% | 0.768 | 77% | 0.765 | S | S | * | * | | | trans | -61.9 | 116.2 | 177.8 | -89.8 | -84.6 | 0 | 0 | 0 | 111.7 | E86 R90 | E86-F88 VanDerWaalsContact C-N 3.28Å; E86-F88 HydrophobicContact CB-CD2 3.99Å; E86-F88 HydrophobicContact CB-CE2 3.85Å; E86-F88 PolarHBondContact O-N 3.26Å; F88-R90 PolarHBondContact O-N 3.32Å |
| 89 | P | 54.7 | Low | 47.7 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | | | trans | -67.2 | 132.7 | 174.5 | -17 | 31.9 | 0 | 0 | 0 | 109.6 | V87 R91 | V87-P89 WeakPolarHBondContact O-CD 3.46Å; P89-R91 PolarHBondContact O-N 3.25Å |
| 90 | R | 46.6 | Very low | 48 | Very low | 244 Ų | 244 | 142.9 Ų | 142.9 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | | | trans | -63.5 | 100.7 | 167.9 | -72.5 | -175.5 | -179.9 | -121.9 | 3 | 108.5 | F88 P92 | F88-R90 PolarHBondContact O-N 3.32Å; R90-P92 WeakPolarHBondContact O-CD 3.34Å |
| 91 | R | 52.2 | Low | 48 | Very low | 235 Ų | 235 | 141.8 Ų | 141.8 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -54 | 123.6 | 170.2 | -71.6 | -170 | 179.8 | -142.1 | 1.6 | 108.9 | P89 | P89-R91 PolarHBondContact O-N 3.25Š|
| 92 | P | 53.9 | Low | 48.3 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 139.3 | 170 | -21.6 | 33.6 | 0 | 0 | 0 | 109.8 | R90 | R90-P92 WeakPolarHBondContact O-CD 3.34Š|
| 93 | S | 54.1 | Low | 48.2 | Very low | 80 Ų | 80 | 138.8 Ų | 138.8 | 56% | 0.559 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 130.6 | 165.4 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | F95 G96 | S93-F95 PolarHBondContact O-N 3.19Å; S93-G96 PolarHBondContact O-N 2.97Å |
| 94 | P | 59.5 | Low | 48.9 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -9.2 | 179.2 | 26.5 | -34.1 | 0 | 0 | 0 | 113.5 | | |
| 95 | F | 51.2 | Low | 49.9 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 17.9 | 172.2 | -71.2 | -83.9 | 0 | 0 | 0 | 113.6 | S93 Q97 | S93-F95 PolarHBondContact O-N 3.19Å; F95-Q97 VanDerWaalsContact C-N 3.32Å; F95-Q97 PolarHBondContact O-N 2.79Å |
| 96 | G | 44.7 | Very low | 50.5 | Low | 65 Ų | 65 | 142.7 Ų | 142.7 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | | | trans | -82.9 | 12 | -177 | 0 | 0 | 0 | 0 | 0 | 116.6 | S93 | S93-G96 PolarHBondContact O-N 2.97Š|
| 97 | Q | 48.3 | Very low | 51.2 | Low | 167 Ų | 167 | 143.1 Ų | 143.1 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | | | trans | -92.5 | 141 | -174 | -66.2 | -176.1 | -10.1 | 0 | 0 | 112.9 | F95 | F95-Q97 VanDerWaalsContact C-N 3.32Å; F95-Q97 PolarHBondContact O-N 2.79Å |
| 98 | T | 47.1 | Very low | 51.3 | Low | 119 Ų | 119 | 144.3 Ų | 144.3 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 66.3 | 51.4 | 162.4 | -37.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 99 | I | 53 | Low | 52.1 | Low | 149 Ų | 149 | 140.5 Ų | 140.5 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | | | trans | -131.4 | 46.7 | 152.9 | -39.4 | 179.7 | 0 | 0 | 0 | 110.7 | | |
| 100 | Q | 48.2 | Very low | 52.3 | Low | 195 Ų | 195 | 140.6 Ų | 140.6 | 91% | 0.911 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -140.5 | 45.7 | 175.2 | -71.3 | -170.1 | 79.6 | 0 | 0 | 111.4 | | |
| 101 | S | 49.4 | Very low | 52.7 | Low | 79 Ų | 79 | 133.9 Ų | 133.9 | 55% | 0.552 | 76% | 0.755 | S | S | * | * | | | trans | -163.9 | 23.3 | 172.2 | 70.6 | 0 | 0 | 0 | 0 | 113.5 | D103 | S101-D103 PolarHBondContact O-N 3.17Š|
| 102 | I | 51.9 | Low | 53.1 | Low | 152 Ų | 152 | 131 Ų | 131 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | | | trans | -94.2 | 67.7 | 170.5 | -52.1 | -179.1 | 0 | 0 | 0 | 107 | | |
| 103 | D | 47.8 | Very low | 53.4 | Low | 132 Ų | 132 | 129.8 Ų | 129.8 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | | | trans | -73 | 136.6 | 176.9 | -68.9 | -76.7 | 0 | 0 | 0 | 111 | S101 D105 | S101-D103 PolarHBondContact O-N 3.17Å; D103-D105 VanDerWaalsContact C-N 3.32Å; D103-D105 PolarHBondContact O-N 3.01Å |
| 104 | G | 55.8 | Low | 54.2 | Low | 72 Ų | 72 | 129.7 Ų | 129.7 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 53.8 | -66.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 105 | D | 58.2 | Low | 54 | Low | 129 Ų | 129 | 132.9 Ų | 132.9 | 69% | 0.69 | 73% | 0.728 | S | S | * | * | | | | -118 | 5.9 | -120.4 | -67.9 | -25.2 | 0 | 0 | 0 | 115.5 | D103 | D103-D105 VanDerWaalsContact C-N 3.32Å; D103-D105 PolarHBondContact O-N 3.01Å |
| 106 | M | 54 | Low | 54.3 | Low | 180 Ų | 180 | 130.3 Ų | 130.3 | 89% | 0.887 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -100.7 | 4.9 | -178.6 | -79.7 | -88 | 79.6 | 0 | 0 | 115.8 | | |
| 107 | I | 56.9 | Low | 54.9 | Low | 157 Ų | 157 | 132.5 Ų | 132.5 | 81% | 0.805 | 72% | 0.718 | S | S | * | * | | | trans | -134.3 | 69.6 | 173.2 | -45.3 | -178.9 | 0 | 0 | 0 | 110.9 | P109 | I107-P109 WeakPolarHBondContact O-CD 3.29Š|
| 108 | Q | 48.5 | Very low | 55.2 | Low | 162 Ų | 162 | 129.7 Ų | 129.7 | 76% | 0.757 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 120.4 | 159.5 | -77 | -69 | -12.2 | 0 | 0 | 109.1 | S110 | Q108-S110 PolarHBondContact O-N 3.13Š|
| 109 | P | 57.7 | Low | 55.6 | Low | 96 Ų | 96 | 131.7 Ų | 131.7 | 62% | 0.623 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 133.7 | 168 | -17.9 | 31.9 | 0 | 0 | 0 | 109.5 | I107 A111 | I107-P109 WeakPolarHBondContact O-CD 3.29Å; P109-A111 PolarHBondContact O-N 2.82Å |
| 110 | S | 58.6 | Low | 55.2 | Low | 111 Ų | 111 | 132.4 Ų | 132.4 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -54 | 138.6 | 168.2 | 50.6 | 0 | 0 | 0 | 0 | 109.9 | Q108 Y112 | Q108-S110 PolarHBondContact O-N 3.13Å; S110-Y112 PolarHBondContact O-N 3.43Å |
| 111 | A | 56 | Low | 55.3 | Low | 104 Ų | 104 | 130.8 Ų | 130.8 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | | | trans | -55.7 | 113.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | P109 D113 | P109-A111 PolarHBondContact O-N 2.82Å; A111-D113 PolarHBondContact O-N 3.46Å |
| 112 | Y | 60 | Low | 55 | Low | 175 Ų | 175 | 137.8 Ų | 137.8 | 69% | 0.686 | 73% | 0.725 | S | S | * | * | | | trans | -76.8 | 102.3 | 171.5 | 173.6 | -92.7 | 0 | 0 | 0 | 107.1 | S110 P114 | S110-Y112 PolarHBondContact O-N 3.43Å; Y112-P114 HydrophobicContact CD1-CG 4.19Å; Y112-P114 HydrophobicContact CE1-CB 4.03Å; Y112-P114 HydrophobicContact CE1-CG 4.07Å; Y112-P114 WeakPolarHBondContact O-CD 3.4Å |
| 113 | D | 60.4 | Low | 54.8 | Low | 95 Ų | 95 | 137.4 Ų | 137.4 | 51% | 0.508 | 73% | 0.73 | S | S | . | * | | | trans | -73.7 | 119.9 | 165.5 | -166.7 | -38.6 | 0 | 0 | 0 | 108.3 | A111 Y115 D116 | A111-D113 PolarHBondContact O-N 3.46Å; D113-Y115 PolarHBondContact O-N 3.49Å; D113-Y115 WeakPolarHBondContact OD1-CB 3.49Å; D113-Y115 PolarHBondContact OD1-N 2.97Å; D113-D116 HydrophobicContact CB-CB 4.22Å |
| 114 | P | 70.9 | Confident | 54.4 | Low | 77 Ų | 77 | 140.3 Ų | 140.3 | 50% | 0.5 | 74% | 0.74 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.2 | -9.1 | 178.2 | -19.1 | 33.8 | 0 | 0 | 0 | 115 | Y112 | Y112-P114 HydrophobicContact CD1-CG 4.19Å; Y112-P114 HydrophobicContact CE1-CB 4.03Å; Y112-P114 HydrophobicContact CE1-CG 4.07Å; Y112-P114 WeakPolarHBondContact O-CD 3.4Å |
| 115 | Y | 54.9 | Low | 53.6 | Low | 183 Ų | 183 | 139.6 Ų | 139.6 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | -10.2 | -171.3 | -67.8 | -80.6 | 0 | 0 | 0 | 115.1 | D113 I117 | D113-Y115 PolarHBondContact O-N 3.49Å; D113-Y115 WeakPolarHBondContact OD1-CB 3.49Å; D113-Y115 PolarHBondContact OD1-N 2.97Å; Y115-I117 PolarHBondContact O-N 3.32Å |
| 116 | D | 58.5 | Low | 52.9 | Low | 138 Ų | 138 | 141.9 Ų | 141.9 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 35.8 | -178.9 | -162.5 | 24.2 | 0 | 0 | 0 | 113.9 | D113 | D113-D116 HydrophobicContact CB-CB 4.22Š|
| 117 | I | 57.4 | Low | 52.3 | Low | 111 Ų | 111 | 138.9 Ų | 138.9 | 57% | 0.569 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.1 | 4.4 | -178.4 | -28.6 | -178.8 | 0 | 0 | 0 | 111.6 | Y115 | Y115-I117 PolarHBondContact O-N 3.32Š|
| 118 | V | 54.9 | Low | 51.4 | Low | 107 Ų | 107 | 135.1 Ų | 135.1 | 65% | 0.648 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -108.4 | -25.7 | -169.3 | -171.1 | 0 | 0 | 0 | 0 | 113.5 | N120 | V118-N120 PolarHBondContact O-N 3.01Š|
| 119 | E | 54 | Low | 50.8 | Low | 161 Ų | 161 | 130.4 Ų | 130.4 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -29.9 | -171.9 | -153.5 | 62.9 | -161 | 0 | 0 | 113.5 | Q121 | E119-Q121 VanDerWaalsContact C-N 3.34Å; E119-Q121 PolarHBondContact O-N 2.93Å |
| 120 | N | 45.7 | Very low | 49.7 | Very low | 165 Ų | 165 | 129.2 Ų | 129.2 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 27.3 | -161.2 | -132.3 | -0.9 | 0 | 0 | 0 | 115.2 | V118 | V118-N120 PolarHBondContact O-N 3.01Š|
| 121 | Q | 50.1 | Low | 48.9 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | | | trans | -125.7 | 38.6 | -177.2 | -72.7 | -178.8 | 70.9 | 0 | 0 | 113 | E119 | E119-Q121 VanDerWaalsContact C-N 3.34Å; E119-Q121 PolarHBondContact O-N 2.93Å |
| 122 | R | 43.6 | Very low | 48.4 | Very low | 226 Ų | 226 | 136 Ų | 136 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | | | trans | -135.9 | 40 | -173.5 | -82.8 | -174.1 | 163.9 | 170.7 | -7.5 | 116.1 | | |
| 123 | T | 46 | Very low | 47.4 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | | | trans | -136.9 | 54.8 | 162.3 | 58.6 | 0 | 0 | 0 | 0 | 112 | | |
| 124 | E | 41.3 | Very low | 46.6 | Very low | 193 Ų | 193 | 134.9 Ų | 134.9 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | | | trans | -76.7 | 113.9 | 162.3 | -73.4 | -70.1 | 157.3 | 0 | 0 | 108.8 | | |
| 125 | G | 38.6 | Very low | 45.1 | Very low | 56 Ų | 56 | 137.4 Ų | 137.4 | 58% | 0.577 | 78% | 0.778 | S | S | * | * | | | trans | 161.3 | 121.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 126 | L | 43.1 | Very low | 44.7 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 93% | 0.932 | 78% | 0.78 | S | S | * | * | | | trans | 66.3 | 150 | 167.5 | -54.7 | 118.1 | 0 | 0 | 0 | 116.3 | | |
| 127 | S | 41.7 | Very low | 44.1 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | | | cis | -157.2 | 154.7 | -31.3 | -167.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 128 | G | 37.5 | Very low | 43.9 | Very low | 78 Ų | 78 | 133.2 Ų | 133.2 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -70.5 | 176.8 | -160.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 129 | G | 36.5 | Very low | 43.9 | Very low | 64 Ų | 64 | 133.3 Ų | 133.3 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | | | trans | 121.5 | 108 | 146.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | W131 | G129-W131 PolarHBondContact O-NE1 3.41Š|
| 130 | G | 34.1 | Very low | 44.3 | Very low | 71 Ų | 71 | 131.3 Ų | 131.3 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | | | trans | 76.6 | 177.7 | 163 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 131 | W | 41.5 | Very low | 45.1 | Very low | 240 Ų | 240 | 129.4 Ų | 129.4 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | | | cis | -138.1 | 170.9 | 6.4 | -71.8 | 81.3 | 0 | 0 | 0 | 113.5 | G129 | G129-W131 PolarHBondContact O-NE1 3.41Š|
| 132 | T | 45.5 | Very low | 45.4 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | | | trans | -49.8 | 154.1 | 179.2 | 45.1 | 0 | 0 | 0 | 0 | 116 | S134 | T132-S134 PolarHBondContact O-N 3.4Š|
| 133 | V | 39.4 | Very low | 46.2 | Very low | 141 Ų | 141 | 125.2 Ų | 125.2 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | | | trans | -53.9 | 130.4 | 168.4 | -166.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 134 | S | 43.4 | Very low | 47.2 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | | | trans | -156.9 | 134.4 | 159.9 | -81.9 | 0 | 0 | 0 | 0 | 111 | T132 S136 | T132-S134 PolarHBondContact O-N 3.4Å; S134-S136 PolarHBondContact O-N 3.5Å |
| 135 | S | 38.7 | Very low | 48.3 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | -79.1 | 107.5 | -173.8 | -56.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 136 | S | 47 | Very low | 49.5 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | trans | -149.9 | 154.6 | 162 | 60.2 | 0 | 0 | 0 | 0 | 111.7 | S134 | S134-S136 PolarHBondContact O-N 3.5Š|
| 137 | S | 46.1 | Very low | 50.5 | Low | 125 Ų | 125 | 131.7 Ų | 131.7 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | | | trans | -74.2 | 123.7 | -167.5 | 51.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 138 | S | 52.6 | Low | 51.6 | Low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | | | trans | -152.8 | 145.4 | 154.6 | 55.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 139 | S | 56.6 | Low | 52.8 | Low | 110 Ų | 110 | 143.2 Ų | 143.2 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | | | trans | 31.6 | 114.4 | 157.7 | -56.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 140 | P | 61.3 | Low | 53.5 | Low | 119 Ų | 119 | 144.6 Ų | 144.6 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -68 | 153.9 | 161.2 | 31.8 | -34.8 | 0 | 0 | 0 | 111.3 | | |
| 141 | P | 62.8 | Low | 54.3 | Low | 125 Ų | 125 | 148.1 Ų | 148.1 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 148.3 | -178.2 | 25.1 | -34.4 | 0 | 0 | 0 | 112.9 | K143 | P141-K143 PolarHBondContact O-N 3.31Š|
| 142 | A | 56.7 | Low | 54.8 | Low | 99 Ų | 99 | 142.4 Ų | 142.4 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 129.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113 | M144 | A142-M144 PolarHBondContact O-N 2.83Š|
| 143 | K | 60.1 | Low | 55.1 | Low | 199 Ų | 199 | 145.6 Ų | 145.6 | 87% | 0.865 | 83% | 0.832 | S | S | * | * | | | trans | -68.9 | 115.7 | 174.4 | -68.4 | 177.3 | 178.2 | 176.1 | 0 | 110 | P141 K145 | P141-K143 PolarHBondContact O-N 3.31Å; K143-K145 PolarHBondContact O-N 3.46Å |
| 144 | M | 66.7 | Low | 55.2 | Low | 193 Ų | 193 | 149.5 Ų | 149.5 | 95% | 0.951 | 83% | 0.833 | S | S | * | * | | | trans | -58.1 | 110.8 | 168.5 | -67 | 179.1 | 73.5 | 0 | 0 | 109.5 | A142 | A142-M144 PolarHBondContact O-N 2.83Š|
| 145 | K | 63.5 | Low | 55.5 | Low | 186 Ų | 186 | 150.6 Ų | 150.6 | 81% | 0.809 | 84% | 0.837 | S | S | * | * | | | trans | -104.1 | 110.7 | -170.2 | -153.5 | 176 | -173.5 | -177.5 | 0 | 109.4 | K143 M147 | K143-K145 PolarHBondContact O-N 3.46Å; K145-M147 PolarHBondContact O-N 3.06Å |
| 146 | I | 65.2 | Low | 55.9 | Low | 153 Ų | 153 | 154.1 Ų | 154.1 | 79% | 0.785 | 84% | 0.84 | S | S | * | * | | | trans | -69.3 | 98.4 | 178.9 | -59.2 | 173 | 0 | 0 | 0 | 109 | | |
| 147 | M | 62.9 | Low | 55.6 | Low | 175 Ų | 175 | 152.9 Ų | 152.9 | 86% | 0.862 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 120.9 | 172.3 | -72.4 | 177.3 | 61 | 0 | 0 | 109.9 | K145 | K145-M147 PolarHBondContact O-N 3.06Š|
| 148 | R | 66.1 | Low | 55.5 | Low | 229 Ų | 229 | 150.5 Ų | 150.5 | 86% | 0.864 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 123.8 | 165.4 | -68 | -179.9 | 171.3 | 93 | -4.6 | 107.9 | | |
| 149 | K | 61.4 | Low | 55.1 | Low | 207 Ų | 207 | 150.3 Ų | 150.3 | 90% | 0.9 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 132.6 | 175.4 | -169.8 | 168.9 | -178.8 | 176.7 | 0 | 109.4 | | |
| 150 | A | 52.3 | Low | 54.9 | Low | 93 Ų | 93 | 150 Ų | 150 | 77% | 0.769 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 151 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 151 | T | 50.7 | Low | 54.8 | Low | 145 Ų | 145 | 154.3 Ų | 154.3 | 89% | 0.89 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -87 | 147 | 177 | 46.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 152 | S | 51.7 | Low | 55 | Low | 121 Ų | 121 | 155.4 Ų | 155.4 | 85% | 0.846 | 84% | 0.841 | S | S | * | * | | | trans | -127.6 | 145.1 | 166.6 | -170.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 153 | E | 51 | Low | 54.9 | Low | 185 Ų | 185 | 156 Ų | 156 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | | | trans | -66.8 | 171.9 | -156.8 | -65.8 | 160.4 | -171.1 | 0 | 0 | 117 | | |
| 154 | Y | 43.1 | Very low | 54.8 | Low | 222 Ų | 222 | 155.3 Ų | 155.3 | 87% | 0.871 | 83% | 0.829 | S | S | * | * | | | trans | -77.5 | 167.3 | -168.9 | -57.3 | -100.4 | 0 | 0 | 0 | 113.9 | | |
| 155 | P | 49.1 | Very low | 54.5 | Low | 128 Ų | 128 | 155.2 Ų | 155.2 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | | | | -135.4 | -173.1 | 88.1 | 32.3 | -15.4 | 0 | 0 | 0 | 115.2 | | |
| 156 | E | 46.7 | Very low | 54.4 | Low | 203 Ų | 203 | 156.9 Ų | 156.9 | 95% | 0.949 | 82% | 0.819 | S | S | * | * | | | trans | -60.3 | 164.2 | -163.6 | -57.3 | -176.9 | 87.9 | 0 | 0 | 118.2 | | |
| 157 | G | 41.2 | Very low | 54.3 | Low | 85 Ų | 85 | 152.5 Ų | 152.5 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | | | trans | 114.2 | 40.9 | 142.8 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 158 | G | 43 | Very low | 54.3 | Low | 74 Ų | 74 | 148.2 Ų | 148.2 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | | | trans | -152 | 108.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | A160 | G158-A160 VanDerWaalsContact C-N 3.3Å; G158-A160 PolarHBondContact O-N 3.28Å |
| 159 | A | 44 | Very low | 54.2 | Low | 105 Ų | 105 | 139.8 Ų | 139.8 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | | | trans | -80.8 | 57.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | R161 | A159-R161 PolarHBondContact O-N 3Š|
| 160 | A | 54.4 | Low | 54.4 | Low | 103 Ų | 103 | 137 Ų | 137 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | | | trans | -71.9 | 46.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | G158 K162 | G158-A160 VanDerWaalsContact C-N 3.3Å; G158-A160 PolarHBondContact O-N 3.28Å; A160-K162 PolarHBondContact O-N 3.43Å |
| 161 | R | 58.2 | Low | 55 | Low | 210 Ų | 210 | 137.7 Ų | 137.7 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | | | trans | -72.7 | 110.2 | 173.8 | -69.3 | -174.9 | -176.5 | -104.6 | 8.2 | 111.2 | A159 | A159-R161 PolarHBondContact O-N 3Š|
| 162 | K | 66.1 | Low | 55.9 | Low | 149 Ų | 149 | 135.1 Ų | 135.1 | 65% | 0.648 | 72% | 0.721 | S | S | * | * | | | trans | 162.8 | 136.7 | 137.6 | -85.4 | 149.9 | -132.7 | 100.9 | 0 | 110.3 | A160 | A160-K162 PolarHBondContact O-N 3.43Š|
| 163 | P | 54.6 | Low | 56.9 | Low | 111 Ų | 111 | 136 Ų | 136 | 72% | 0.721 | 71% | 0.712 | S | S | * | * | S | Bend | | -121.4 | 25.4 | 95.3 | 37.1 | -35.8 | 0 | 0 | 0 | 114.7 | R165 R166 | P163-R165 PolarHBondContact O-N 3.21Å; P163-R166 PolarHBondContact O-N 3.28Å |
| 164 | R | 59.4 | Low | 57.9 | Low | 185 Ų | 185 | 128.9 Ų | 128.9 | 70% | 0.698 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.2 | -24.4 | -179.5 | -169.3 | 173 | 172.8 | 162.3 | -3.4 | 114.9 | R166 A167 Q168 | R164-R166 VanDerWaalsContact C-N 3.32Å; R164-R166 PolarHBondContact O-N 3.37Å; R164-A167 PolarHBondContact O-N 2.69Å; R164-Q168 HydrophobicContact CG-CG 4.38Å; R164-Q168 PolarHBondContact O-N 3.16Å |
| 165 | R | 59.7 | Low | 59.3 | Low | 190 Ų | 190 | 123.2 Ų | 123.2 | 72% | 0.717 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -51.5 | -41.6 | 177.4 | -79.7 | -170 | -179.5 | -95.7 | 9.1 | 113.7 | P163 A167 Q168 A169 | P163-R165 PolarHBondContact O-N 3.21Å; R165-A167 VanDerWaalsContact C-N 3.34Å; R165-A167 PolarHBondContact O-N 3.08Å; R165-Q168 PolarHBondContact O-N 3.39Å; R165-Q168 VanDerWaalsContact O-N 3.13Å; R165-A169 PolarHBondContact O-N 3.3Å |
| 166 | R | 62.6 | Low | 60.7 | Low | 222 Ų | 222 | 122.7 Ų | 122.7 | 84% | 0.838 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -69.2 | -32.7 | -176.5 | -158.4 | 176.3 | -165 | -179 | 6.5 | 112.6 | P163 R164 Q168 | P163-R166 PolarHBondContact O-N 3.28Å; R164-R166 VanDerWaalsContact C-N 3.32Å; R164-R166 PolarHBondContact O-N 3.37Å; R166-Q168 VanDerWaalsContact C-N 3.31Å |
| 167 | A | 61.4 | Low | 62 | Low | 60 Ų | 60 | 117.5 Ų | 117.5 | 50% | 0.496 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -72.2 | -24.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R164 R165 Q171 | R164-A167 PolarHBondContact O-N 2.69Å; R165-A167 VanDerWaalsContact C-N 3.34Å; R165-A167 PolarHBondContact O-N 3.08Å; A167-Q171 WeakPolarHBondContact O-CG 3.41Å; A167-Q171 PolarHBondContact O-NE2 3.41Å |
| 168 | Q | 62.9 | Low | 63.5 | Low | 85 Ų | 85 | 114.1 Ų | 114.1 | 40% | 0.397 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -79.7 | -46.3 | 175.3 | -67.3 | 176 | -96 | 0 | 0 | 111.6 | R164 R165 R166 H170 Q171 D172 | R164-Q168 HydrophobicContact CG-CG 4.38Å; R164-Q168 PolarHBondContact O-N 3.16Å; R165-Q168 PolarHBondContact O-N 3.39Å; R165-Q168 VanDerWaalsContact O-N 3.13Å; R166-Q168 VanDerWaalsContact C-N 3.31Å; Q168-H170 VanDerWaalsContact C-N 3.28Å; Q168-H170 PolarHBondContact O-N 3.44Å; Q168-Q171 WeakPolarHBondContact O-CA 3.43Å; Q168-Q171 VanDerWaalsContact O-CB 3.29Å; Q168-Q171 WeakPolarHBondContact O-CB 3.47Å; Q168-Q171 PolarHBondContact O-N 2.84Å; Q168-D172 PolarHBondContact O-N 2.74Å |
| 169 | A | 64.9 | Low | 64.9 | Low | 53 Ų | 53 | 116 Ų | 116 | 44% | 0.438 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -55.6 | -40.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R165 Q171 D172 E173 | R165-A169 PolarHBondContact O-N 3.3Å; A169-Q171 VanDerWaalsContact C-N 3.3Å; A169-Q171 PolarHBondContact O-N 2.97Å; A169-D172 PolarHBondContact O-N 3.18Å; A169-E173 WeakPolarHBondContact O-CG 3.26Å; A169-E173 PolarHBondContact O-N 2.94Å |
| 170 | H | 65.1 | Low | 66.2 | Low | 147 Ų | 147 | 115.8 Ų | 115.8 | 68% | 0.681 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.4 | -24.9 | 174.7 | -170.1 | -54.6 | 0 | 0 | 0 | 113 | Q168 S174 | Q168-H170 VanDerWaalsContact C-N 3.28Å; Q168-H170 PolarHBondContact O-N 3.44Å; H170-S174 WeakPolarHBondContact O-CB 3.49Å; H170-S174 PolarHBondContact O-N 3.16Å |
| 171 | Q | 65.7 | Low | 66.9 | Low | 109 Ų | 109 | 115.8 Ų | 115.8 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -72.4 | -43.2 | 171.1 | -69.7 | 169.9 | 56.3 | 0 | 0 | 110.3 | A167 Q168 A169 S174 Q175 | A167-Q171 WeakPolarHBondContact O-CG 3.41Å; A167-Q171 PolarHBondContact O-NE2 3.41Å; Q168-Q171 WeakPolarHBondContact O-CA 3.43Å; Q168-Q171 VanDerWaalsContact O-CB 3.29Å; Q168-Q171 WeakPolarHBondContact O-CB 3.47Å; Q168-Q171 PolarHBondContact O-N 2.84Å; A169-Q171 VanDerWaalsContact C-N 3.3Å; A169-Q171 PolarHBondContact O-N 2.97Å; Q171-S174 WeakPolarHBondContact O-CB 3.42Å; Q171-S174 PolarHBondContact O-N 3.47Å; Q171-S174 PolarHBondContact O-OG 3.04Å; Q171-Q175 WeakPolarHBondContact O-CG 3.42Å; Q171-Q175 PolarHBondContact O-N 3.2Å; Q171-Q175 PolarHBondContact O-NE2 3.22Å |
| 172 | D | 68.5 | Low | 67.3 | Low | 91 Ų | 91 | 110.1 Ų | 110.1 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.1 | -48.5 | -178 | -55.4 | -33.7 | 0 | 0 | 0 | 111.8 | Q168 A169 S174 Q175 L176 | Q168-D172 PolarHBondContact O-N 2.74Å; A169-D172 PolarHBondContact O-N 3.18Å; D172-S174 VanDerWaalsContact C-N 3.3Å; D172-S174 PolarHBondContact O-N 2.98Å; D172-Q175 WeakPolarHBondContact O-CA 3.34Å; D172-Q175 WeakPolarHBondContact O-CB 3.41Å; D172-Q175 PolarHBondContact O-N 3.39Å; D172-Q175 PolarHBondContact OD1-NE2 3.19Å; D172-L176 PolarHBondContact O-N 3.47Å |
| 173 | E | 74 | Confident | 67.5 | Low | 139 Ų | 139 | 107.2 Ų | 107.2 | 65% | 0.65 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -53.3 | -45.6 | 170.5 | -72.5 | -114 | 86.4 | 0 | 0 | 112 | A169 Q175 L176 L177 | A169-E173 WeakPolarHBondContact O-CG 3.26Å; A169-E173 PolarHBondContact O-N 2.94Å; E173-Q175 PolarHBondContact O-N 3.35Å; E173-L176 PolarHBondContact O-N 3.42Å; E173-L177 WeakPolarHBondContact O-CG 3.06Å; E173-L177 PolarHBondContact O-N 3.05Å; E173-L177 VanDerWaalsContact O-N 3.08Å |
| 174 | S | 70.8 | Confident | 68.2 | Low | 36 Ų | 36 | 108.3 Ų | 108.3 | 25% | 0.252 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.3 | -26.4 | 178 | 88.1 | 0 | 0 | 0 | 0 | 113 | H170 Q171 D172 T178 K198 | H170-S174 WeakPolarHBondContact O-CB 3.49Å; H170-S174 PolarHBondContact O-N 3.16Å; Q171-S174 WeakPolarHBondContact O-CB 3.42Å; Q171-S174 PolarHBondContact O-N 3.47Å; Q171-S174 PolarHBondContact O-OG 3.04Å; D172-S174 VanDerWaalsContact C-N 3.3Å; D172-S174 PolarHBondContact O-N 2.98Å; S174-T178 PolarHBondContact O-OG1 3.37Å; S174-K198 VanDerWaalsContact C-NZ 3.25Å; S174-K198 PolarHBondContact O-NZ 2.76Å; S174-K198 PolarHBondContact OG-NZ 2.89Å; S174-K198 VanDerWaalsContact OG-NZ 3.16Å |
| 175 | Q | 73.2 | Confident | 68.5 | Low | 102 Ų | 102 | 102.7 Ų | 102.7 | 48% | 0.477 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -77.1 | -47.8 | 177.9 | -73.5 | 176.5 | 98.5 | 0 | 0 | 110.2 | Q171 D172 E173 L177 T178 M179 | Q171-Q175 WeakPolarHBondContact O-CG 3.42Å; Q171-Q175 PolarHBondContact O-N 3.2Å; Q171-Q175 PolarHBondContact O-NE2 3.22Å; D172-Q175 WeakPolarHBondContact O-CA 3.34Å; D172-Q175 WeakPolarHBondContact O-CB 3.41Å; D172-Q175 PolarHBondContact O-N 3.39Å; D172-Q175 PolarHBondContact OD1-NE2 3.19Å; E173-Q175 PolarHBondContact O-N 3.35Å; Q175-L177 PolarHBondContact O-N 3.38Å; Q175-T178 WeakPolarHBondContact O-CA 3.4Å; Q175-T178 WeakPolarHBondContact O-CB 3.43Å; Q175-T178 PolarHBondContact O-N 3.48Å; Q175-M179 PolarHBondContact O-N 3.48Å |
| 176 | L | 78 | Confident | 69.2 | Low | 117 Ų | 117 | 96.8 Ų | 96.8 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.7 | -45.9 | 178.3 | -162.5 | 153.8 | 0 | 0 | 0 | 111.7 | D172 E173 T178 M179 Q180 | D172-L176 PolarHBondContact O-N 3.47Å; E173-L176 PolarHBondContact O-N 3.42Å; L176-T178 PolarHBondContact O-N 2.81Å; L176-M179 PolarHBondContact O-N 3.29Å; L176-Q180 WeakPolarHBondContact O-CB 3.47Å; L176-Q180 PolarHBondContact O-N 2.96Å |
| 177 | L | 75.1 | Confident | 70.1 | Confident | 94 Ų | 94 | 92.1 Ų | 92.1 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.5 | -26 | 173.3 | -72.7 | 171.3 | 0 | 0 | 0 | 113.9 | E173 Q175 Q181 | E173-L177 WeakPolarHBondContact O-CG 3.06Å; E173-L177 PolarHBondContact O-N 3.05Å; E173-L177 VanDerWaalsContact O-N 3.08Å; Q175-L177 PolarHBondContact O-N 3.38Å; L177-Q181 WeakPolarHBondContact O-CG 3.49Å; L177-Q181 PolarHBondContact O-N 3.17Å; L177-Q181 PolarHBondContact O-NE2 3.47Å |
| 178 | T | 72 | Confident | 71.2 | Confident | 15 Ų | 15 | 92.4 Ų | 92.4 | 9% | 0.092 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -84.6 | -41.3 | 179.1 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | S174 Q175 L176 Q180 Q181 Q182 K198 | S174-T178 PolarHBondContact O-OG1 3.37Å; Q175-T178 WeakPolarHBondContact O-CA 3.4Å; Q175-T178 WeakPolarHBondContact O-CB 3.43Å; Q175-T178 PolarHBondContact O-N 3.48Å; L176-T178 PolarHBondContact O-N 2.81Å; T178-Q180 VanDerWaalsContact C-N 3.3Å; T178-Q180 PolarHBondContact O-N 3.38Å; T178-Q181 PolarHBondContact O-N 3.36Å; T178-Q182 WeakPolarHBondContact O-CG 3.18Å; T178-Q182 PolarHBondContact O-N 2.81Å; T178-K198 HydrophobicContact CG2-CG 4.47Å; T178-K198 VanDerWaalsContact OG1-CD 3.26Å; T178-K198 WeakPolarHBondContact OG1-CD 3.3Å; T178-K198 WeakPolarHBondContact OG1-CE 3.46Å; T178-K198 WeakPolarHBondContact OG1-CG 3.42Å; T178-K198 PolarHBondContact OG1-NZ 2.87Å |
| 179 | M | 71.2 | Confident | 72.6 | Confident | 113 Ų | 113 | 94.2 Ų | 94.2 | 56% | 0.557 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.5 | -43.1 | 172.7 | -65 | -68.5 | 95.8 | 0 | 0 | 110.8 | Q175 L176 Q181 Q182 A183 | Q175-M179 PolarHBondContact O-N 3.48Å; L176-M179 PolarHBondContact O-N 3.29Å; M179-Q181 PolarHBondContact O-N 3.08Å; M179-Q182 PolarHBondContact O-N 2.88Å; M179-A183 WeakPolarHBondContact O-CB 3.39Å; M179-A183 PolarHBondContact O-N 2.91Å |
| 180 | Q | 72.3 | Confident | 74 | Confident | 100 Ų | 100 | 95.1 Ų | 95.1 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 176.6 | -172.9 | 172.1 | 79.5 | 0 | 0 | 112.8 | L176 T178 Q182 A183 M184 | L176-Q180 WeakPolarHBondContact O-CB 3.47Å; L176-Q180 PolarHBondContact O-N 2.96Å; T178-Q180 VanDerWaalsContact C-N 3.3Å; T178-Q180 PolarHBondContact O-N 3.38Å; Q180-Q182 VanDerWaalsContact C-N 3.33Å; Q180-Q182 PolarHBondContact O-N 3.01Å; Q180-A183 PolarHBondContact O-N 2.86Å; Q180-M184 HydrophobicContact CG-CE 3.89Å; Q180-M184 WeakPolarHBondContact O-CG 3.36Å; Q180-M184 PolarHBondContact O-N 3.06Å; Q180-M184 VanDerWaalsContact O-N 3.16Å |
| 181 | Q | 68.8 | Low | 75.6 | Confident | 104 Ų | 104 | 88.1 Ų | 88.1 | 49% | 0.486 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65 | -35 | 174.7 | -80.7 | 169.9 | 88 | 0 | 0 | 112.8 | L177 T178 M179 | L177-Q181 WeakPolarHBondContact O-CG 3.49Å; L177-Q181 PolarHBondContact O-N 3.17Å; L177-Q181 PolarHBondContact O-NE2 3.47Å; T178-Q181 PolarHBondContact O-N 3.36Å; M179-Q181 PolarHBondContact O-N 3.08Å |
| 182 | Q | 66.7 | Low | 77.1 | Confident | 90 Ų | 90 | 84.2 Ų | 84.2 | 42% | 0.421 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -70.9 | -42.6 | 174.8 | -71.4 | 175.6 | -3.4 | 0 | 0 | 111.9 | T178 M179 Q180 M184 G185 V188 | T178-Q182 WeakPolarHBondContact O-CG 3.18Å; T178-Q182 PolarHBondContact O-N 2.81Å; M179-Q182 PolarHBondContact O-N 2.88Å; Q180-Q182 VanDerWaalsContact C-N 3.33Å; Q180-Q182 PolarHBondContact O-N 3.01Å; Q182-M184 VanDerWaalsContact C-N 3.29Å; Q182-M184 PolarHBondContact O-N 2.89Å; Q182-G185 PolarHBondContact O-N 3.28Å; Q182-V188 HydrophobicContact CG-CG2 3.86Å |
| 183 | A | 69.6 | Low | 78.4 | Confident | 89 Ų | 89 | 83.9 Ų | 83.9 | 74% | 0.736 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.3 | -31 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | M179 Q180 G185 | M179-A183 WeakPolarHBondContact O-CB 3.39Å; M179-A183 PolarHBondContact O-N 2.91Å; Q180-A183 PolarHBondContact O-N 2.86Å; A183-G185 PolarHBondContact O-N 2.96Å |
| 184 | M | 70.5 | Confident | 79.5 | Confident | 134 Ų | 134 | 80.3 Ų | 80.3 | 66% | 0.66 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | 9.5 | 176.9 | -70.6 | -179.7 | 177.7 | 0 | 0 | 114.4 | Q180 Q182 V186 | Q180-M184 HydrophobicContact CG-CE 3.89Å; Q180-M184 WeakPolarHBondContact O-CG 3.36Å; Q180-M184 PolarHBondContact O-N 3.06Å; Q180-M184 VanDerWaalsContact O-N 3.16Å; Q182-M184 VanDerWaalsContact C-N 3.29Å; Q182-M184 PolarHBondContact O-N 2.89Å; M184-V186 HydrophobicContact CB-CG2 3.88Å; M184-V186 PolarHBondContact O-N 2.95Å; M184-V186 VanDerWaalsContact O-N 3.08Å |
| 185 | G | 64.6 | Low | 80.8 | Confident | 67 Ų | 67 | 84.2 Ų | 84.2 | 69% | 0.691 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 12.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q182 A183 V187 | Q182-G185 PolarHBondContact O-N 3.28Å; A183-G185 PolarHBondContact O-N 2.96Å; G185-V187 PolarHBondContact O-N 3.05Å |
| 186 | V | 74.4 | Confident | 81.8 | Confident | 65 Ų | 65 | 81.5 Ų | 81.5 | 39% | 0.394 | 46% | 0.459 | S | S | . | . | | | trans | -72.6 | 119.2 | -176.8 | 179.3 | 0 | 0 | 0 | 0 | 108.9 | M184 V188 | M184-V186 HydrophobicContact CB-CG2 3.88Å; M184-V186 PolarHBondContact O-N 2.95Å; M184-V186 VanDerWaalsContact O-N 3.08Å; V186-V188 PolarHBondContact O-N 2.7Å |
| 187 | V | 82.3 | Confident | 82.7 | Confident | 124 Ų | 124 | 78.3 Ų | 78.3 | 75% | 0.752 | 44% | 0.444 | S | S | * | . | | | trans | -48.2 | 107.1 | 177.2 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | G185 R189 | G185-V187 PolarHBondContact O-N 3.05Å; V187-R189 PolarHBondContact O-N 3.41Å |
| 188 | V | 85.3 | Confident | 83.5 | Confident | 67 Ų | 67 | 77.4 Ų | 77.4 | 41% | 0.406 | 44% | 0.437 | S | S | . | . | | | trans | -67.4 | 108.5 | -171 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | Q182 V186 T197 | Q182-V188 HydrophobicContact CG-CG2 3.86Å; V186-V188 PolarHBondContact O-N 2.7Å; V188-T197 HydrophobicContact CG1-CG2 3.61Å |
| 189 | R | 90.8 | Very high | 84.6 | Confident | 123 Ų | 123 | 78.1 Ų | 78.1 | 46% | 0.464 | 44% | 0.441 | S | S | . | . | | | trans | -74 | 140.3 | 176.8 | -61.3 | -171.2 | -170 | 85.8 | 9.1 | 109.7 | V187 T197 W202 | V187-R189 PolarHBondContact O-N 3.41Å; R189-T197 WeakPolarHBondContact O-CA 3.36Å; R189-W202 VanDerWaalsContact C-CH2 3.43Å; R189-W202 HydrophobicContact CB-CD2 4.3Å; R189-W202 HydrophobicContact CB-CE3 4.4Å; R189-W202 HydrophobicContact CB-CH2 3.74Å; R189-W202 HydrophobicContact CB-CZ2 3.59Å; R189-W202 HydrophobicContact CB-CZ3 4.13Å; R189-W202 WeakPolarHBondContact O-CH2 3.48Å; R189-W202 WeakPolarHBondContact O-CZ2 3.33Å |
| 190 | V | 95.8 | Very high | 85.7 | Confident | 72 Ų | 72 | 78.8 Ų | 78.8 | 44% | 0.436 | 45% | 0.453 | S | S | . | . | | | trans | -124 | 131 | -178.2 | 177.4 | 0 | 0 | 0 | 0 | 108 | S192 N195 T197 | V190-S192 PolarHBondContact O-N 3.05Å; V190-N195 HydrophobicContact CG1-CB 4.04Å; V190-T197 HydrophobicContact CG2-CG2 4.17Å |
| 191 | C | 97.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 45% | 0.452 | C | S | . | . | | | trans | -67.8 | 123.7 | 176.5 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | D193 C194 N195 T196 W202 S211 C213 | C191-D193 PolarHBondContact O-N 3.36Å; C191-C194 PolarHBondContact O-N 2.97Å; C191-N195 VanDerWaalsContact O-CA 3.27Å; C191-N195 WeakPolarHBondContact O-CA 3.37Å; C191-N195 PolarHBondContact O-N 3.45Å; C191-N195 PolarHBondContact O-OD1 3.06Å; C191-T196 HydrophobicContact CB-CG2 3.73Å; C191-T196 PolarHBondContact N-O 2.99Å; C191-W202 HydrophobicContact CB-CZ3 4.24Å; C191-S211 WeakPolarHBondContact CA-O 3.42Å; C191-C213 HydrophobicContact CB-CB 3.96Å; C191-C213 PolarHBondContact SG-N 3.3Å; C191-C213 VanDerWaalsContact SG-SG 3.6Å |
| 192 | S | 96.7 | Very high | 88.2 | Confident | 27 Ų | 27 | 75.4 Ų | 75.4 | 19% | 0.189 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -21.5 | -175.1 | 59.2 | 0 | 0 | 0 | 0 | 116 | V190 S211 L212 | V190-S192 PolarHBondContact O-N 3.05Å; S192-S211 PolarHBondContact N-O 3.15Å; S192-L212 WeakPolarHBondContact OG-CD2 3.16Å |
| 193 | D | 96.9 | Very high | 89.6 | Confident | 84 Ų | 84 | 73.7 Ų | 73.7 | 45% | 0.449 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -16.1 | -168.8 | -59.8 | 4.9 | 0 | 0 | 0 | 113.1 | C191 L212 C216 | C191-D193 PolarHBondContact O-N 3.36Å; D193-L212 HydrophobicContact CB-CD2 4.14Å; D193-L212 WeakPolarHBondContact OD1-CD2 3.47Å; D193-L212 WeakPolarHBondContact OD2-CD2 3.27Å; D193-C216 HydrophobicContact CB-CB 3.99Å |
| 194 | C | 97.4 | Very high | 90.9 | Very high | 64 Ų | 64 | 73.4 Ų | 73.4 | 43% | 0.432 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -153.9 | 12.7 | -175.1 | 70.6 | 0 | 0 | 0 | 0 | 114.3 | C191 T196 | C191-C194 PolarHBondContact O-N 2.97Å; C194-T196 PolarHBondContact O-N 3.25Å |
| 195 | N | 96.7 | Very high | 92 | Very high | 118 Ų | 118 | 67.9 Ų | 67.9 | 63% | 0.631 | 40% | 0.398 | S | S | * | . | | | trans | 52.2 | 12.6 | 175.2 | -60.4 | 4.9 | 0 | 0 | 0 | 117.3 | V190 C191 T197 | V190-N195 HydrophobicContact CG1-CB 4.04Å; C191-N195 VanDerWaalsContact O-CA 3.27Å; C191-N195 WeakPolarHBondContact O-CA 3.37Å; C191-N195 PolarHBondContact O-N 3.45Å; C191-N195 PolarHBondContact O-OD1 3.06Å; N195-T197 PolarHBondContact O-N 3.06Å |
| 196 | T | 95.5 | Very high | 93.5 | Very high | 45 Ų | 45 | 69 Ų | 69 | 28% | 0.276 | 39% | 0.393 | S | S | . | . | | | trans | -64.4 | 131.2 | 173.8 | -173.1 | 0 | 0 | 0 | 0 | 111.2 | C191 C194 K198 C213 | C191-T196 HydrophobicContact CB-CG2 3.73Å; C191-T196 PolarHBondContact N-O 2.99Å; C194-T196 PolarHBondContact O-N 3.25Å; T196-K198 WeakPolarHBondContact CG2-O 3.2Å; T196-K198 PolarHBondContact OG1-N 3.42Å; T196-K198 PolarHBondContact OG1-O 3.27Å; T196-C213 HydrophobicContact CG2-CB 3.53Å |
| 197 | T | 95.7 | Very high | 94.4 | Very high | 49 Ų | 49 | 75.3 Ų | 75.3 | 30% | 0.301 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -82.2 | -19.4 | 167 | 52 | 0 | 0 | 0 | 0 | 112.1 | V188 R189 V190 N195 | V188-T197 HydrophobicContact CG1-CG2 3.61Å; R189-T197 WeakPolarHBondContact O-CA 3.36Å; V190-T197 HydrophobicContact CG2-CG2 4.17Å; N195-T197 PolarHBondContact O-N 3.06Å |
| 198 | K | 93.1 | Very high | 95 | Very high | 76 Ų | 76 | 70.7 Ų | 70.7 | 33% | 0.33 | 39% | 0.387 | S | S | . | . | | | trans | -105.2 | 130.6 | -175.6 | -46.6 | -168.9 | -166.2 | -165.3 | 0 | 111.3 | S174 T178 T196 | S174-K198 VanDerWaalsContact C-NZ 3.25Å; S174-K198 PolarHBondContact O-NZ 2.76Å; S174-K198 PolarHBondContact OG-NZ 2.89Å; S174-K198 VanDerWaalsContact OG-NZ 3.16Å; T178-K198 HydrophobicContact CG2-CG 4.47Å; T178-K198 VanDerWaalsContact OG1-CD 3.26Å; T178-K198 WeakPolarHBondContact OG1-CD 3.3Å; T178-K198 WeakPolarHBondContact OG1-CE 3.46Å; T178-K198 WeakPolarHBondContact OG1-CG 3.42Å; T178-K198 PolarHBondContact OG1-NZ 2.87Å; T196-K198 WeakPolarHBondContact CG2-O 3.2Å; T196-K198 PolarHBondContact OG1-N 3.42Å; T196-K198 PolarHBondContact OG1-O 3.27Å |
| 199 | T | 94.3 | Very high | 95.4 | Very high | 30 Ų | 30 | 72.8 Ų | 72.8 | 18% | 0.184 | 40% | 0.402 | C | S | . | . | | | trans | -163.1 | 140.5 | 171.5 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | L201 W202 C213 N214 | T199-L201 WeakPolarHBondContact CG2-O 3.29Å; T199-L201 PolarHBondContact O-N 2.97Å; T199-L201 PolarHBondContact OG1-N 3.13Å; T199-L201 PolarHBondContact OG1-O 3.34Å; T199-W202 HydrophobicContact CG2-CD2 3.49Å; T199-W202 VanDerWaalsContact CG2-CD2 3.49Å; T199-W202 HydrophobicContact CG2-CE3 4.02Å; T199-W202 HydrophobicContact CG2-CG 3.83Å; T199-W202 HydrophobicContact CG2-CH2 4.17Å; T199-W202 HydrophobicContact CG2-CZ2 3.68Å; T199-W202 HydrophobicContact CG2-CZ3 4.33Å; T199-C213 HydrophobicContact CG2-CB 4.24Å; T199-N214 PolarHBondContact OG1-N 3.33Å |
| 200 | P | 95.5 | Very high | 95.6 | Very high | 126 Ų | 126 | 72.8 Ų | 72.8 | 82% | 0.818 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -69.9 | -15.7 | 175 | 29.3 | -36 | 0 | 0 | 0 | 112.8 | N214 | P200-N214 HydrophobicContact CG-CB 4.48Š|
| 201 | L | 95.5 | Very high | 95.6 | Very high | 85 Ų | 85 | 70.1 Ų | 70.1 | 45% | 0.445 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -150.5 | 134.7 | 174.3 | -179.3 | 61.4 | 0 | 0 | 0 | 110.8 | T199 N214 | T199-L201 WeakPolarHBondContact CG2-O 3.29Å; T199-L201 PolarHBondContact O-N 2.97Å; T199-L201 PolarHBondContact OG1-N 3.13Å; T199-L201 PolarHBondContact OG1-O 3.34Å; L201-N214 HydrophobicContact CB-CB 4.47Å; L201-N214 PolarHBondContact O-N 3.42Å; L201-N214 VanDerWaalsContact O-N 3.15Å |
| 202 | W | 96.7 | Very high | 95.6 | Very high | 48 Ų | 48 | 70.1 Ų | 70.1 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 131.8 | 168.6 | -70.1 | 96.2 | 0 | 0 | 0 | 110.5 | R189 C191 T199 K210 L212 | R189-W202 VanDerWaalsContact C-CH2 3.43Å; R189-W202 HydrophobicContact CB-CD2 4.3Å; R189-W202 HydrophobicContact CB-CE3 4.4Å; R189-W202 HydrophobicContact CB-CH2 3.74Å; R189-W202 HydrophobicContact CB-CZ2 3.59Å; R189-W202 HydrophobicContact CB-CZ3 4.13Å; R189-W202 WeakPolarHBondContact O-CH2 3.48Å; R189-W202 WeakPolarHBondContact O-CZ2 3.33Å; C191-W202 HydrophobicContact CB-CZ3 4.24Å; T199-W202 HydrophobicContact CG2-CD2 3.49Å; T199-W202 VanDerWaalsContact CG2-CD2 3.49Å; T199-W202 HydrophobicContact CG2-CE3 4.02Å; T199-W202 HydrophobicContact CG2-CG 3.83Å; T199-W202 HydrophobicContact CG2-CH2 4.17Å; T199-W202 HydrophobicContact CG2-CZ2 3.68Å; T199-W202 HydrophobicContact CG2-CZ3 4.33Å; W202-K210 HydrophobicContact CB-CB 3.87Å; W202-K210 HydrophobicContact CB-CG 4.07Å; W202-L212 CarbonylContact C-O 3.59Å; W202-L212 WeakPolarHBondContact CA-O 3.46Å |
| 203 | R | 97.4 | Very high | 95.7 | Very high | 54 Ų | 54 | 69.2 Ų | 69.2 | 20% | 0.204 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 149.4 | 179.3 | -62.6 | -172.3 | 178.4 | -72.9 | 2.3 | 110 | K210 S211 L212 N214 | R203-K210 CarbonylContact O-C 3.35Å; R203-K210 WeakPolarHBondContact O-CA 3.21Å; R203-S211 PolarHBondContact O-N 3.49Å; R203-L212 HydrophobicContact CB-CB 4.42Å; R203-L212 PolarHBondContact N-O 3.09Å; R203-L212 PolarHBondContact O-N 2.94Å; R203-N214 PolarHBondContact NE-O 2.86Å; R203-N214 PolarHBondContact NE-OD1 3.15Å; R203-N214 PolarHBondContact NH2-OD1 2.91Å |
| 204 | S | 96 | Very high | 95.7 | Very high | 84 Ų | 84 | 67.7 Ų | 67.7 | 59% | 0.587 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 139.3 | 170.3 | -52.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 205 | G | 94.7 | Very high | 95.7 | Very high | 18 Ų | 18 | 66.9 Ų | 66.9 | 19% | 0.186 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | -162.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R207 G208 S211 | G205-R207 VanDerWaalsContact C-N 3.33Å; G205-G208 PolarHBondContact N-O 3.09Å; G205-G208 VanDerWaalsContact N-O 3.16Å; G205-G208 PolarHBondContact O-N 3.15Å; G205-S211 WeakPolarHBondContact CA-OG 3.2Å; G205-S211 PolarHBondContact N-OG 3.49Å; G205-S211 VanDerWaalsContact N-OG 3.12Å |
| 206 | P | 94.6 | Very high | 95.8 | Very high | 90 Ų | 90 | 61.5 Ų | 61.5 | 58% | 0.584 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -28.7 | -176.6 | 30.3 | -30.5 | 0 | 0 | 0 | 111.8 | G208 | P206-G208 PolarHBondContact O-N 2.97Š|
| 207 | R | 94.7 | Very high | 95.9 | Very high | 197 Ų | 197 | 59.6 Ų | 59.6 | 74% | 0.743 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 28 | 177 | -62.3 | 176.1 | 70 | -178.8 | 1 | 112.8 | G205 | G205-R207 VanDerWaalsContact C-N 3.33Š|
| 208 | G | 94.1 | Very high | 96 | Very high | 28 Ų | 28 | 61 Ų | 61 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 95.1 | -170.5 | 176 | 0 | 0 | 0 | 0 | 0 | 115.9 | G205 P206 S211 | G205-G208 PolarHBondContact N-O 3.09Å; G205-G208 VanDerWaalsContact N-O 3.16Å; G205-G208 PolarHBondContact O-N 3.15Å; P206-G208 PolarHBondContact O-N 2.97Å; G208-S211 PolarHBondContact O-OG 2.8Å |
| 209 | P | 94.6 | Very high | 96.2 | Very high | 110 Ų | 110 | 64.6 Ų | 64.6 | 71% | 0.714 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 143.9 | -174.1 | 28.2 | -35.1 | 0 | 0 | 0 | 112.4 | S211 | P209-S211 PolarHBondContact O-N 2.81Å; P209-S211 VanDerWaalsContact O-N 3.09Å |
| 210 | K | 94.3 | Very high | 96.4 | Very high | 124 Ų | 124 | 65.9 Ų | 65.9 | 54% | 0.539 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.4 | 24 | 177.8 | -62.1 | 179.8 | -178.8 | 176.1 | 0 | 115.2 | W202 R203 | W202-K210 HydrophobicContact CB-CB 3.87Å; W202-K210 HydrophobicContact CB-CG 4.07Å; R203-K210 CarbonylContact O-C 3.35Å; R203-K210 WeakPolarHBondContact O-CA 3.21Å |
| 211 | S | 95.7 | Very high | 96.4 | Very high | 16 Ų | 16 | 65.5 Ų | 65.5 | 11% | 0.112 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -10.1 | -179.6 | 51.5 | 0 | 0 | 0 | 0 | 115.3 | C191 S192 R203 G205 G208 P209 | C191-S211 WeakPolarHBondContact CA-O 3.42Å; S192-S211 PolarHBondContact N-O 3.15Å; R203-S211 PolarHBondContact O-N 3.49Å; G205-S211 WeakPolarHBondContact CA-OG 3.2Å; G205-S211 PolarHBondContact N-OG 3.49Å; G205-S211 VanDerWaalsContact N-OG 3.12Å; G208-S211 PolarHBondContact O-OG 2.8Å; P209-S211 PolarHBondContact O-N 2.81Å; P209-S211 VanDerWaalsContact O-N 3.09Å |
| 212 | L | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 147.4 | -177.4 | -64.8 | -179.9 | 0 | 0 | 0 | 113.5 | S192 D193 W202 R203 C216 Q220 | S192-L212 WeakPolarHBondContact OG-CD2 3.16Å; D193-L212 HydrophobicContact CB-CD2 4.14Å; D193-L212 WeakPolarHBondContact OD1-CD2 3.47Å; D193-L212 WeakPolarHBondContact OD2-CD2 3.27Å; W202-L212 CarbonylContact C-O 3.59Å; W202-L212 WeakPolarHBondContact CA-O 3.46Å; R203-L212 HydrophobicContact CB-CB 4.42Å; R203-L212 PolarHBondContact N-O 3.09Å; R203-L212 PolarHBondContact O-N 2.94Å; L212-C216 HydrophobicContact CD2-CB 4.19Å; L212-Q220 HydrophobicContact CD1-CB 4.42Å |
| 213 | C | 98.1 | Very high | 96.5 | Very high | 7 Ų | 7 | 69.4 Ų | 69.4 | 5% | 0.047 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 167.8 | 164.5 | 75.1 | 0 | 0 | 0 | 0 | 111.6 | C191 T196 T199 A215 C216 G217 | C191-C213 HydrophobicContact CB-CB 3.96Å; C191-C213 PolarHBondContact SG-N 3.3Å; C191-C213 VanDerWaalsContact SG-SG 3.6Å; T196-C213 HydrophobicContact CG2-CB 3.53Å; T199-C213 HydrophobicContact CG2-CB 4.24Å; C213-A215 VanDerWaalsContact C-N 3.32Å; C213-A215 PolarHBondContact O-N 3.3Å; C213-C216 PolarHBondContact O-N 3.26Å; C213-C216 PolarHBondContact SG-N 3.04Å; C213-C216 VanDerWaalsContact SG-N 3.36Å; C213-C216 VanDerWaalsContact SG-SG 3.68Å; C213-G217 PolarHBondContact O-N 3.46Å |
| 214 | N | 98.1 | Very high | 96.4 | Very high | 52 Ų | 52 | 74.4 Ų | 74.4 | 28% | 0.278 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56.1 | -46.1 | -179.6 | -176.2 | 28.5 | 0 | 0 | 0 | 111.7 | T199 P200 L201 R203 I218 | T199-N214 PolarHBondContact OG1-N 3.33Å; P200-N214 HydrophobicContact CG-CB 4.48Å; L201-N214 HydrophobicContact CB-CB 4.47Å; L201-N214 PolarHBondContact O-N 3.42Å; L201-N214 VanDerWaalsContact O-N 3.15Å; R203-N214 PolarHBondContact NE-O 2.86Å; R203-N214 PolarHBondContact NE-OD1 3.15Å; R203-N214 PolarHBondContact NH2-OD1 2.91Å; N214-I218 VanDerWaalsContact O-CG1 3.29Å; N214-I218 WeakPolarHBondContact O-CG1 3.22Å; N214-I218 PolarHBondContact O-N 3.27Å; N214-I218 VanDerWaalsContact O-N 3.09Å |
| 215 | A | 98.1 | Very high | 96.4 | Very high | 47 Ų | 47 | 79.3 Ų | 79.3 | 39% | 0.388 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.3 | -47.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | C213 I218 R219 | C213-A215 VanDerWaalsContact C-N 3.32Å; C213-A215 PolarHBondContact O-N 3.3Å; A215-I218 PolarHBondContact O-N 3.28Å; A215-R219 PolarHBondContact O-N 3.18Å |
| 216 | C | 98.1 | Very high | 96.5 | Very high | 5 Ų | 5 | 81.3 Ų | 81.3 | 3% | 0.034 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.1 | -41.9 | 178.1 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | D193 L212 C213 I218 R219 Q220 | D193-C216 HydrophobicContact CB-CB 3.99Å; L212-C216 HydrophobicContact CD2-CB 4.19Å; C213-C216 PolarHBondContact O-N 3.26Å; C213-C216 PolarHBondContact SG-N 3.04Å; C213-C216 VanDerWaalsContact SG-N 3.36Å; C213-C216 VanDerWaalsContact SG-SG 3.68Å; C216-I218 VanDerWaalsContact C-N 3.26Å; C216-I218 PolarHBondContact O-N 2.87Å; C216-R219 PolarHBondContact O-N 3.08Å; C216-R219 VanDerWaalsContact O-N 3.13Å; C216-R219 PolarHBondContact SG-NH2 3.12Å; C216-Q220 WeakPolarHBondContact O-CB 3.48Å; C216-Q220 PolarHBondContact O-N 3.22Å |
| 217 | G | 97.7 | Very high | 96.5 | Very high | 5 Ų | 5 | 83.6 Ų | 83.6 | 5% | 0.052 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65 | -25.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | C213 R221 | C213-G217 PolarHBondContact O-N 3.46Å; G217-R221 WeakPolarHBondContact O-CB 3.37Å; G217-R221 PolarHBondContact O-N 2.88Å |
| 218 | I | 97.7 | Very high | 96.5 | Very high | 79 Ų | 79 | 78.9 Ų | 78.9 | 41% | 0.405 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -76 | -44.8 | 169.1 | -69.8 | -65.2 | 0 | 0 | 0 | 111.2 | N214 A215 C216 R221 K222 | N214-I218 VanDerWaalsContact O-CG1 3.29Å; N214-I218 WeakPolarHBondContact O-CG1 3.22Å; N214-I218 PolarHBondContact O-N 3.27Å; N214-I218 VanDerWaalsContact O-N 3.09Å; A215-I218 PolarHBondContact O-N 3.28Å; C216-I218 VanDerWaalsContact C-N 3.26Å; C216-I218 PolarHBondContact O-N 2.87Å; I218-R221 PolarHBondContact O-N 3.37Å; I218-K222 PolarHBondContact O-N 3.16Å |
| 219 | R | 97.8 | Very high | 96.6 | Very high | 151 Ų | 151 | 80.4 Ų | 80.4 | 57% | 0.57 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -56.7 | -52 | 174.7 | -77 | -174.7 | -77.4 | -103.1 | 5.7 | 111.8 | A215 C216 R221 K222 A223 | A215-R219 PolarHBondContact O-N 3.18Å; C216-R219 PolarHBondContact O-N 3.08Å; C216-R219 VanDerWaalsContact O-N 3.13Å; C216-R219 PolarHBondContact SG-NH2 3.12Å; R219-R221 VanDerWaalsContact C-N 3.32Å; R219-R221 PolarHBondContact O-N 3.37Å; R219-K222 PolarHBondContact O-N 3.25Å; R219-K222 VanDerWaalsContact O-N 3.15Å; R219-A223 WeakPolarHBondContact O-CB 3.46Å; R219-A223 PolarHBondContact O-N 2.77Å |
| 220 | Q | 97 | Very high | 96.6 | Very high | 57 Ų | 57 | 78 Ų | 78 | 27% | 0.266 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 179 | -159.2 | -159.6 | 27.9 | 0 | 0 | 111.8 | L212 C216 A223 R224 | L212-Q220 HydrophobicContact CD1-CB 4.42Å; C216-Q220 WeakPolarHBondContact O-CB 3.48Å; C216-Q220 PolarHBondContact O-N 3.22Å; Q220-A223 PolarHBondContact O-N 2.99Å; Q220-R224 WeakPolarHBondContact O-CB 3.34Å; Q220-R224 PolarHBondContact O-N 2.68Å |
| 221 | R | 96.2 | Very high | 96.6 | Very high | 119 Ų | 119 | 75 Ų | 75 | 45% | 0.449 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 175.3 | -176.8 | -179.3 | -66.7 | 178 | -6.1 | 112.5 | G217 I218 R219 R225 | G217-R221 WeakPolarHBondContact O-CB 3.37Å; G217-R221 PolarHBondContact O-N 2.88Å; I218-R221 PolarHBondContact O-N 3.37Å; R219-R221 VanDerWaalsContact C-N 3.32Å; R219-R221 PolarHBondContact O-N 3.37Å; R221-R225 WeakPolarHBondContact O-CB 3.43Å; R221-R225 WeakPolarHBondContact O-CG 3.46Å; R221-R225 PolarHBondContact O-N 3.44Å; R221-R225 VanDerWaalsContact O-N 3.11Å |
| 222 | K | 97.3 | Very high | 96.4 | Very high | 167 Ų | 167 | 77.2 Ų | 77.2 | 73% | 0.726 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -67.2 | -46.8 | 175 | -170.9 | 178.5 | 179.2 | -177.1 | 0 | 110.7 | I218 R219 R225 A226 | I218-K222 PolarHBondContact O-N 3.16Å; R219-K222 PolarHBondContact O-N 3.25Å; R219-K222 VanDerWaalsContact O-N 3.15Å; K222-R225 PolarHBondContact O-N 3.32Å; K222-A226 PolarHBondContact O-N 3.09Å |
| 223 | A | 96.3 | Very high | 96.2 | Very high | 47 Ų | 47 | 80 Ų | 80 | 39% | 0.388 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.7 | -48.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | R219 Q220 R225 A226 M227 | R219-A223 WeakPolarHBondContact O-CB 3.46Å; R219-A223 PolarHBondContact O-N 2.77Å; Q220-A223 PolarHBondContact O-N 2.99Å; A223-R225 VanDerWaalsContact C-N 3.33Å; A223-R225 PolarHBondContact O-N 3.07Å; A223-A226 PolarHBondContact O-N 2.92Å; A223-A226 VanDerWaalsContact O-N 3.14Å; A223-M227 WeakPolarHBondContact O-CG 3.45Å; A223-M227 PolarHBondContact O-N 3.48Å |
| 224 | R | 95.5 | Very high | 95.8 | Very high | 160 Ų | 160 | 81.8 Ų | 81.8 | 60% | 0.604 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.8 | -36.5 | 177.8 | -167.6 | 171.8 | 76.1 | -160.1 | 10 | 112.9 | Q220 V228 | Q220-R224 WeakPolarHBondContact O-CB 3.34Å; Q220-R224 PolarHBondContact O-N 2.68Å; R224-V228 WeakPolarHBondContact O-CG2 3.34Å; R224-V228 PolarHBondContact O-N 3.41Å; R224-V228 VanDerWaalsContact O-N 3.07Å |
| 225 | R | 96.2 | Very high | 95.4 | Very high | 187 Ų | 187 | 82.8 Ų | 82.8 | 71% | 0.706 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.5 | -42.6 | 172.6 | -79.6 | 178.8 | 170.4 | -168.9 | -5 | 112 | R221 K222 A223 V228 A229 | R221-R225 WeakPolarHBondContact O-CB 3.43Å; R221-R225 WeakPolarHBondContact O-CG 3.46Å; R221-R225 PolarHBondContact O-N 3.44Å; R221-R225 VanDerWaalsContact O-N 3.11Å; K222-R225 PolarHBondContact O-N 3.32Å; A223-R225 VanDerWaalsContact C-N 3.33Å; A223-R225 PolarHBondContact O-N 3.07Å; R225-V228 PolarHBondContact O-N 3.48Å; R225-A229 WeakPolarHBondContact O-CB 3.43Å; R225-A229 PolarHBondContact O-N 3.29Å |
| 226 | A | 96.3 | Very high | 94.9 | Very high | 60 Ų | 60 | 84.4 Ų | 84.4 | 50% | 0.496 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | K222 A223 A229 A230 | K222-A226 PolarHBondContact O-N 3.09Å; A223-A226 PolarHBondContact O-N 2.92Å; A223-A226 VanDerWaalsContact O-N 3.14Å; A226-A229 PolarHBondContact O-N 3.29Å; A226-A230 WeakPolarHBondContact O-CB 3.41Å; A226-A230 PolarHBondContact O-N 2.99Å |
| 227 | M | 94.9 | Very high | 94.2 | Very high | 137 Ų | 137 | 88.5 Ų | 88.5 | 68% | 0.675 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.2 | -44.1 | 175.1 | -72.7 | 167.9 | 165.1 | 0 | 0 | 112.4 | A223 A230 A231 | A223-M227 WeakPolarHBondContact O-CG 3.45Å; A223-M227 PolarHBondContact O-N 3.48Å; M227-A230 PolarHBondContact O-N 2.93Å; M227-A231 WeakPolarHBondContact O-CB 3.37Å; M227-A231 PolarHBondContact O-N 3.27Å |
| 228 | V | 95.6 | Very high | 93.1 | Very high | 98 Ų | 98 | 94.3 Ų | 94.3 | 59% | 0.594 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.9 | -39.6 | 175.9 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | R224 R225 A231 A232 | R224-V228 WeakPolarHBondContact O-CG2 3.34Å; R224-V228 PolarHBondContact O-N 3.41Å; R224-V228 VanDerWaalsContact O-N 3.07Å; R225-V228 PolarHBondContact O-N 3.48Å; V228-A231 PolarHBondContact O-N 3.27Å; V228-A232 WeakPolarHBondContact O-CB 3.42Å; V228-A232 PolarHBondContact O-N 3.11Å |
| 229 | A | 94.8 | Very high | 91.3 | Very high | 60 Ų | 60 | 94.1 Ų | 94.1 | 50% | 0.496 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.7 | -42.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R225 A226 A232 A233 | R225-A229 WeakPolarHBondContact O-CB 3.43Å; R225-A229 PolarHBondContact O-N 3.29Å; A226-A229 PolarHBondContact O-N 3.29Å; A229-A232 PolarHBondContact O-N 3.08Å; A229-A233 WeakPolarHBondContact O-CB 3.2Å; A229-A233 PolarHBondContact O-N 2.81Å |
| 230 | A | 94.7 | Very high | 89.1 | Confident | 61 Ų | 61 | 90 Ų | 90 | 50% | 0.504 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.6 | -40.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A226 M227 A233 A234 | A226-A230 WeakPolarHBondContact O-CB 3.41Å; A226-A230 PolarHBondContact O-N 2.99Å; M227-A230 PolarHBondContact O-N 2.93Å; A230-A233 PolarHBondContact O-N 3.21Å; A230-A234 WeakPolarHBondContact O-CB 3.43Å; A230-A234 PolarHBondContact O-N 3.14Å |
| 231 | A | 94.3 | Very high | 87.1 | Confident | 61 Ų | 61 | 91.1 Ų | 91.1 | 50% | 0.504 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.2 | -39.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M227 V228 A234 A235 | M227-A231 WeakPolarHBondContact O-CB 3.37Å; M227-A231 PolarHBondContact O-N 3.27Å; V228-A231 PolarHBondContact O-N 3.27Å; A231-A234 PolarHBondContact O-N 3.3Å; A231-A235 WeakPolarHBondContact O-CB 3.35Å; A231-A235 PolarHBondContact O-N 3.07Å |
| 232 | A | 93.2 | Very high | 85.4 | Confident | 61 Ų | 61 | 90.7 Ų | 90.7 | 50% | 0.504 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.6 | -39.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V228 A229 A235 A236 | V228-A232 WeakPolarHBondContact O-CB 3.42Å; V228-A232 PolarHBondContact O-N 3.11Å; A229-A232 PolarHBondContact O-N 3.08Å; A232-A235 PolarHBondContact O-N 2.93Å; A232-A236 PolarHBondContact O-N 3.11Å |
| 233 | A | 91.9 | Very high | 83.6 | Confident | 60 Ų | 60 | 88.7 Ų | 88.7 | 50% | 0.496 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.8 | -43.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | A229 A230 A236 S237 | A229-A233 WeakPolarHBondContact O-CB 3.2Å; A229-A233 PolarHBondContact O-N 2.81Å; A230-A233 PolarHBondContact O-N 3.21Å; A233-A236 PolarHBondContact O-N 2.86Å; A233-S237 PolarHBondContact O-N 3.29Å; A233-S237 PolarHBondContact O-OG 2.85Å |
| 234 | A | 90.9 | Very high | 81.4 | Confident | 44 Ų | 44 | 94.6 Ų | 94.6 | 36% | 0.364 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.9 | -35.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | A230 A231 A236 S237 N238 | A230-A234 WeakPolarHBondContact O-CB 3.43Å; A230-A234 PolarHBondContact O-N 3.14Å; A231-A234 PolarHBondContact O-N 3.3Å; A234-A236 VanDerWaalsContact C-N 3.33Å; A234-S237 WeakPolarHBondContact CA-OG 3.35Å; A234-S237 PolarHBondContact O-OG 2.95Å; A234-S237 VanDerWaalsContact O-OG 3.09Å; A234-N238 WeakPolarHBondContact O-CB 3.46Å; A234-N238 PolarHBondContact O-N 3.14Å; A234-N238 VanDerWaalsContact O-N 3.16Å; A234-N238 PolarHBondContact O-ND2 3.37Å |
| 235 | A | 89.3 | Confident | 79.2 | Confident | 73 Ų | 73 | 91.3 Ų | 91.3 | 60% | 0.603 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.6 | -36.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | A231 A232 | A231-A235 WeakPolarHBondContact O-CB 3.35Å; A231-A235 PolarHBondContact O-N 3.07Å; A232-A235 PolarHBondContact O-N 2.93Å |
| 236 | A | 86.9 | Confident | 77 | Confident | 80 Ų | 80 | 88.7 Ų | 88.7 | 66% | 0.661 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.4 | -40.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A232 A233 A234 N238 | A232-A236 PolarHBondContact O-N 3.11Å; A233-A236 PolarHBondContact O-N 2.86Å; A234-A236 VanDerWaalsContact C-N 3.33Å; A236-N238 PolarHBondContact O-N 3.2Å |
| 237 | S | 84.7 | Confident | 74.6 | Confident | 92 Ų | 92 | 91.5 Ų | 91.5 | 64% | 0.643 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -69.3 | -30.9 | -179.8 | 63.8 | 0 | 0 | 0 | 0 | 113.4 | A233 A234 G239 | A233-S237 PolarHBondContact O-N 3.29Å; A233-S237 PolarHBondContact O-OG 2.85Å; A234-S237 WeakPolarHBondContact CA-OG 3.35Å; A234-S237 PolarHBondContact O-OG 2.95Å; A234-S237 VanDerWaalsContact O-OG 3.09Å; S237-G239 VanDerWaalsContact C-N 3.31Å; S237-G239 PolarHBondContact O-N 3.18Å |
| 238 | N | 74.1 | Confident | 72.3 | Confident | 127 Ų | 127 | 88.1 Ų | 88.1 | 68% | 0.679 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -13.8 | -174.9 | -74.5 | -14.4 | 0 | 0 | 0 | 114.2 | A234 A236 G240 | A234-N238 WeakPolarHBondContact O-CB 3.46Å; A234-N238 PolarHBondContact O-N 3.14Å; A234-N238 VanDerWaalsContact O-N 3.16Å; A234-N238 PolarHBondContact O-ND2 3.37Å; A236-N238 PolarHBondContact O-N 3.2Å; N238-G240 PolarHBondContact O-N 2.98Å |
| 239 | G | 59.4 | Low | 70.1 | Confident | 74 Ų | 74 | 90.1 Ų | 90.1 | 76% | 0.763 | 66% | 0.657 | S | S | * | * | | | trans | 57.4 | -0.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | S237 | S237-G239 VanDerWaalsContact C-N 3.31Å; S237-G239 PolarHBondContact O-N 3.18Å |
| 240 | G | 50.6 | Low | 67.6 | Low | 65 Ų | 65 | 91.3 Ų | 91.3 | 67% | 0.67 | 67% | 0.667 | S | S | * | * | | | trans | -101.7 | 108.1 | -159.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N238 | N238-G240 PolarHBondContact O-N 2.98Š|
| 241 | A | 56.3 | Low | 65.3 | Low | 81 Ų | 81 | 93.8 Ų | 93.8 | 67% | 0.669 | 68% | 0.676 | S | S | * | * | | | trans | 36.3 | 134.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 242 | P | 59.4 | Low | 63.4 | Low | 109 Ų | 109 | 98.3 Ų | 98.3 | 71% | 0.708 | 69% | 0.686 | S | S | * | * | | | trans | -58.6 | 146.8 | 161.8 | 30 | -34.8 | 0 | 0 | 0 | 109.5 | Q244 | P242-Q244 PolarHBondContact O-N 2.78Š|
| 243 | P | 59.4 | Low | 61.5 | Low | 126 Ų | 126 | 102.8 Ų | 102.8 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | | | trans | -60.6 | 110.3 | 176.5 | 25.6 | -33.5 | 0 | 0 | 0 | 108.8 | A245 | P243-A245 PolarHBondContact O-N 3.22Å; P243-A245 VanDerWaalsContact O-N 3.11Å |
| 244 | Q | 51.9 | Low | 59.7 | Low | 170 Ų | 170 | 107.7 Ų | 107.7 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | | | trans | -62.5 | 118.3 | 174.3 | -69.3 | -169.1 | 6.6 | 0 | 0 | 107.9 | P242 V246 | P242-Q244 PolarHBondContact O-N 2.78Å; Q244-V246 VanDerWaalsContact C-N 3.29Å; Q244-V246 PolarHBondContact O-N 2.96Å |
| 245 | A | 47.5 | Very low | 57.6 | Low | 91 Ų | 91 | 110.6 Ų | 110.6 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | | | trans | -68.5 | 90.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109 | P243 S247 | P243-A245 PolarHBondContact O-N 3.22Å; P243-A245 VanDerWaalsContact O-N 3.11Å; A245-S247 VanDerWaalsContact C-N 3.29Å; A245-S247 PolarHBondContact O-N 3.49Å |
| 246 | V | 51.7 | Low | 55.5 | Low | 132 Ų | 132 | 117 Ų | 117 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | | | trans | -67.5 | 89 | 173.6 | -76 | 0 | 0 | 0 | 0 | 109.2 | Q244 G248 | Q244-V246 VanDerWaalsContact C-N 3.29Å; Q244-V246 PolarHBondContact O-N 2.96Å; V246-G248 PolarHBondContact O-N 3.34Å |
| 247 | S | 45.1 | Very low | 53.7 | Low | 120 Ų | 120 | 118.6 Ų | 118.6 | 84% | 0.839 | 74% | 0.742 | S | S | * | * | | | trans | -68.3 | 66.2 | 174.5 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | A245 V249 | A245-S247 VanDerWaalsContact C-N 3.29Å; A245-S247 PolarHBondContact O-N 3.49Å; S247-V249 PolarHBondContact O-N 3.05Å |
| 248 | G | 46.6 | Very low | 52.2 | Low | 65 Ų | 65 | 123.9 Ų | 123.9 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | | | trans | -87.1 | 93.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | V246 | V246-G248 PolarHBondContact O-N 3.34Š|
| 249 | V | 48.6 | Very low | 51 | Low | 140 Ų | 140 | 123.5 Ų | 123.5 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | | | trans | 36.1 | 112.3 | 145.5 | -175.4 | 0 | 0 | 0 | 0 | 118.5 | S247 | S247-V249 PolarHBondContact O-N 3.05Š|
| 250 | A | 43.1 | Very low | 50.4 | Low | 86 Ų | 86 | 124.2 Ų | 124.2 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | trans | -18 | 157 | 159.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 251 | T | 46.4 | Very low | 50.3 | Low | 113 Ų | 113 | 133 Ų | 133 | 69% | 0.693 | 77% | 0.77 | S | S | * | * | | | | -172.3 | 141.5 | 120.1 | -82.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 252 | Q | 54.9 | Low | 49.8 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | | | trans | 64.1 | 111.3 | 167.6 | -75.9 | 166 | 72.5 | 0 | 0 | 118.4 | | |
| 253 | Q | 53.1 | Low | 49.4 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | | | | 74.8 | 134.3 | 86.2 | -70.7 | 174.4 | 19.9 | 0 | 0 | 113.2 | | |
| 254 | Q | 53.1 | Low | 48.4 | Very low | 164 Ų | 164 | 143.3 Ų | 143.3 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | | | cis | -139.3 | 158.6 | 34 | -78.5 | -78.9 | -21.7 | 0 | 0 | 113.8 | | |
| 255 | P | 46.8 | Very low | 47.7 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | | | trans | -114.6 | 150.3 | 176.9 | 39.1 | -29.9 | 0 | 0 | 0 | 115.7 | | |
| 256 | K | 46 | Very low | 47.9 | Very low | 209 Ų | 209 | 146.5 Ų | 146.5 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | | | trans | -166.6 | 146.8 | 142.8 | -113 | 161.4 | -173.8 | 172.1 | 0 | 113.4 | | |
| 257 | P | 49.5 | Very low | 47.5 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -116.2 | 162.7 | -175 | 41.2 | -33 | 0 | 0 | 0 | 115 | | |
| 258 | K | 52.8 | Low | 47.3 | Very low | 204 Ų | 204 | 146.2 Ų | 146.2 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | | | | -177.6 | 165.6 | 129.8 | -98.4 | 167.2 | -178.7 | -175.2 | 0 | 111.4 | | |
| 259 | P | 48.6 | Very low | 47.5 | Very low | 118 Ų | 118 | 147.3 Ų | 147.3 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | trans | -119.4 | -176.7 | -144.2 | 44.5 | -38.3 | 0 | 0 | 0 | 117.2 | | |
| 260 | A | 46.8 | Very low | 47.3 | Very low | 89 Ų | 89 | 147.6 Ų | 147.6 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | trans | 105.5 | 129.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 261 | R | 49.3 | Very low | 47.6 | Very low | 251 Ų | 251 | 155.4 Ų | 155.4 | 95% | 0.947 | 79% | 0.787 | S | S | * | * | | | trans | 55.6 | 120.4 | 171.7 | -59.9 | -179.4 | 171.5 | -146.7 | -2.7 | 114.8 | | |
| 262 | K | 44.4 | Very low | 47.8 | Very low | 180 Ų | 180 | 154.4 Ų | 154.4 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | | | | -177.4 | 161.4 | 69.4 | -159.1 | -176.7 | -176.6 | -135.4 | 0 | 110.5 | | |
| 263 | E | 51.9 | Low | 47.8 | Very low | 147 Ų | 147 | 155 Ų | 155 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | | | trans | 49.7 | 113.9 | 160.8 | -83.7 | 166.5 | 96.3 | 0 | 0 | 121.6 | R265 | E263-R265 PolarHBondContact O-N 2.89Š|
| 264 | K | 37.4 | Very low | 47.4 | Very low | 205 Ų | 205 | 152.3 Ų | 152.3 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | | | trans | -76.1 | 80.9 | 169.1 | -178.5 | -175.1 | 174.9 | 178.3 | 0 | 111.3 | S266 | K264-S266 PolarHBondContact O-N 2.81Š|
| 265 | R | 38.7 | Very low | 47 | Very low | 229 Ų | 229 | 153.7 Ų | 153.7 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | -84.7 | 88.5 | 168.6 | -173 | 173.5 | 179.4 | 162.6 | -0.4 | 110.1 | E263 | E263-R265 PolarHBondContact O-N 2.89Š|
| 266 | S | 50.8 | Low | 46.9 | Very low | 98 Ų | 98 | 158.7 Ų | 158.7 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | | | trans | -73.7 | 127.4 | 170 | 52.9 | 0 | 0 | 0 | 0 | 110.2 | K264 | K264-S266 PolarHBondContact O-N 2.81Š|
| 267 | D | 44.3 | Very low | 47.4 | Very low | 146 Ų | 146 | 156.9 Ų | 156.9 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | | | trans | -72.9 | 160.1 | -170.4 | -123.5 | -53.7 | 0 | 0 | 0 | 115 | A269 | D267-A269 PolarHBondContact O-N 3.1Š|
| 268 | A | 41 | Very low | 47.3 | Very low | 101 Ų | 101 | 162.7 Ų | 162.7 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | | | trans | -90 | 94 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 269 | A | 50 | Low | 46.9 | Very low | 88 Ų | 88 | 159.5 Ų | 159.5 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -130.2 | 112.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D267 R271 | D267-A269 PolarHBondContact O-N 3.1Å; A269-R271 PolarHBondContact O-N 3.14Å |
| 270 | D | 45.4 | Very low | 46.9 | Very low | 145 Ų | 145 | 161.6 Ų | 161.6 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | | | trans | 39.9 | 69.4 | 152.4 | -142.5 | -10.5 | 0 | 0 | 0 | 118.7 | | |
| 271 | R | 49.3 | Very low | 47 | Very low | 251 Ų | 251 | 165.2 Ų | 165.2 | 95% | 0.947 | 81% | 0.805 | S | S | * | * | | | trans | -128.7 | 50.1 | 170.6 | -130.9 | -179.1 | -173.4 | -158.7 | 0.6 | 114.3 | A269 | A269-R271 PolarHBondContact O-N 3.14Š|
| 272 | S | 49.5 | Very low | 46.8 | Very low | 91 Ų | 91 | 158.2 Ų | 158.2 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | | | trans | -119.8 | 30.4 | 177.9 | 58.6 | 0 | 0 | 0 | 0 | 114.9 | P274 | S272-P274 VanDerWaalsContact O-CD 3.26Å; S272-P274 WeakPolarHBondContact O-CD 3.38Å |
| 273 | L | 55 | Low | 46.9 | Very low | 169 Ų | 169 | 154.8 Ų | 154.8 | 89% | 0.885 | 78% | 0.783 | S | S | * | * | | | trans | -102.6 | 75 | 167.7 | -68.1 | 176.6 | 0 | 0 | 0 | 114.6 | | |
| 274 | P | 45.3 | Very low | 46.7 | Very low | 97 Ų | 97 | 152 Ų | 152 | 63% | 0.63 | 78% | 0.776 | S | S | * | * | | | trans | -127.5 | 52.6 | 166.5 | 42.9 | -32.4 | 0 | 0 | 0 | 114.4 | S272 K276 | S272-P274 VanDerWaalsContact O-CD 3.26Å; S272-P274 WeakPolarHBondContact O-CD 3.38Å; P274-K276 VanDerWaalsContact C-N 3.27Å; P274-K276 PolarHBondContact O-N 2.89Å |
| 275 | F | 45 | Very low | 47.2 | Very low | 193 Ų | 193 | 148.7 Ų | 148.7 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | | | trans | -91.9 | 40.8 | 168.9 | -81.3 | -76.9 | 0 | 0 | 0 | 113.8 | K277 | F275-K277 PolarHBondContact O-N 3.34Š|
| 276 | K | 44.4 | Very low | 47.5 | Very low | 210 Ų | 210 | 146.2 Ų | 146.2 | 91% | 0.913 | 77% | 0.766 | S | S | * | * | | | trans | -78.4 | 51.8 | 170.3 | -156.3 | 170.4 | -174.7 | 176.9 | 0 | 111.1 | P274 | P274-K276 VanDerWaalsContact C-N 3.27Å; P274-K276 PolarHBondContact O-N 2.89Å |
| 277 | K | 56 | Low | 47 | Very low | 171 Ų | 171 | 145.7 Ų | 145.7 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | trans | -110.9 | 84.7 | -180 | -79.4 | -168.5 | 174.8 | -176.2 | 0 | 112 | F275 C279 | F275-K277 PolarHBondContact O-N 3.34Å; K277-C279 PolarHBondContact O-N 3.44Å |
| 278 | R | 47.6 | Very low | 46.8 | Very low | 233 Ų | 233 | 144 Ų | 144 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | | | trans | 26.7 | 77.9 | 143.9 | -168.1 | -177.5 | -71.9 | 176.5 | -3.2 | 116.3 | K280 | R278-K280 HydrophobicContact CG-CB 4.02Å; R278-K280 PolarHBondContact O-N 3.36Å; R278-K280 VanDerWaalsContact O-N 3.15Å |
| 279 | C | 43.6 | Very low | 46.7 | Very low | 137 Ų | 137 | 142.8 Ų | 142.8 | 93% | 0.926 | 77% | 0.771 | S | S | * | * | | | trans | -77.7 | 82.4 | 148.5 | -69.2 | 0 | 0 | 0 | 0 | 107.8 | K277 M281 | K277-C279 PolarHBondContact O-N 3.44Å; C279-M281 PolarHBondContact O-N 2.92Å |
| 280 | K | 48.7 | Very low | 46.2 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 70% | 0.704 | 78% | 0.777 | S | S | * | * | | | trans | -72.4 | 107.4 | 167.3 | 171.8 | 72.7 | 175.9 | -179 | 0 | 105.9 | R278 V282 | R278-K280 HydrophobicContact CG-CB 4.02Å; R278-K280 PolarHBondContact O-N 3.36Å; R278-K280 VanDerWaalsContact O-N 3.15Å; K280-V282 HydrophobicContact CG-CG2 4.08Å; K280-V282 PolarHBondContact O-N 2.97Å |
| 281 | M | 49 | Very low | 45.9 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -59.8 | 109.4 | 164.1 | -171.2 | 113.2 | 77 | 0 | 0 | 106.8 | C279 | C279-M281 PolarHBondContact O-N 2.92Š|
| 282 | V | 46.7 | Very low | 45.5 | Very low | 104 Ų | 104 | 134.2 Ų | 134.2 | 63% | 0.63 | 78% | 0.775 | S | S | * | * | | | trans | -91.1 | 101.6 | 166.8 | -176.3 | 0 | 0 | 0 | 0 | 105 | K280 V284 | K280-V282 HydrophobicContact CG-CG2 4.08Å; K280-V282 PolarHBondContact O-N 2.97Å; V282-V284 HydrophobicContact CB-CG2 4.49Å; V282-V284 HydrophobicContact CG1-CG2 3.76Å; V282-V284 PolarHBondContact O-N 2.96Å |
| 283 | V | 46.1 | Very low | 45.2 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 65% | 0.648 | 78% | 0.775 | S | S | * | * | | | trans | -62.6 | 117.8 | 156.5 | 177.3 | 0 | 0 | 0 | 0 | 105 | | |
| 284 | V | 47.3 | Very low | 44.7 | Very low | 88 Ų | 88 | 132.2 Ų | 132.2 | 53% | 0.533 | 77% | 0.774 | S | S | . | * | | | trans | -99.9 | 98.2 | 171.9 | -176.5 | 0 | 0 | 0 | 0 | 106.1 | V282 H286 | V282-V284 HydrophobicContact CB-CG2 4.49Å; V282-V284 HydrophobicContact CG1-CG2 3.76Å; V282-V284 PolarHBondContact O-N 2.96Å; V284-H286 VanDerWaalsContact C-N 3.35Å; V284-H286 WeakPolarHBondContact CG1-NE2 3.45Å; V284-H286 PolarHBondContact O-CD2 3.44Å; V284-H286 PolarHBondContact O-N 3.48Å |
| 285 | D | 47 | Very low | 44.6 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | | | trans | -67.9 | 93.1 | 172.6 | -64 | -74.3 | 0 | 0 | 0 | 109.2 | A287 | D285-A287 VanDerWaalsContact C-N 3.31Å; D285-A287 PolarHBondContact O-N 2.91Å |
| 286 | H | 45 | Very low | 44.8 | Very low | 177 Ų | 177 | 128.6 Ų | 128.6 | 82% | 0.819 | 77% | 0.774 | S | S | * | * | | | trans | -75.3 | 80.6 | 177.8 | -79.4 | -79.4 | 0 | 0 | 0 | 110.9 | V284 | V284-H286 VanDerWaalsContact C-N 3.35Å; V284-H286 WeakPolarHBondContact CG1-NE2 3.45Å; V284-H286 PolarHBondContact O-CD2 3.44Å; V284-H286 PolarHBondContact O-N 3.48Å |
| 287 | A | 41.3 | Very low | 45.2 | Very low | 86 Ų | 86 | 124.7 Ų | 124.7 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | | | trans | -132.2 | 127.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D285 | D285-A287 VanDerWaalsContact C-N 3.31Å; D285-A287 PolarHBondContact O-N 2.91Å |
| 288 | A | 39.2 | Very low | 44.6 | Very low | 112 Ų | 112 | 125.3 Ų | 125.3 | 93% | 0.926 | 78% | 0.775 | S | S | * | * | | | trans | 66.4 | 147.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 289 | G | 40.2 | Very low | 44.3 | Very low | 74 Ų | 74 | 118.5 Ų | 118.5 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | | | trans | 87.3 | 77.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 290 | A | 39.2 | Very low | 44.3 | Very low | 103 Ų | 103 | 116.8 Ų | 116.8 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | | | cis | 85.1 | 135.7 | 47.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 291 | A | 39.3 | Very low | 44 | Very low | 99 Ų | 99 | 113.9 Ų | 113.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | 80.2 | 118.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 292 | A | 40.1 | Very low | 43.7 | Very low | 103 Ų | 103 | 110.8 Ų | 110.8 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | | | trans | 67.1 | 146.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 293 | A | 44.3 | Very low | 43.3 | Very low | 79 Ų | 79 | 117 Ų | 117 | 65% | 0.653 | 78% | 0.784 | S | S | * | * | | | cis | -169.9 | 152.1 | -22.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 294 | T | 43.4 | Very low | 43.1 | Very low | 138 Ų | 138 | 117.6 Ų | 117.6 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | | | trans | 51.3 | 147.2 | 147.2 | 50.6 | 0 | 0 | 0 | 0 | 122.3 | | |
| 295 | A | 42.9 | Very low | 42.9 | Very low | 78 Ų | 78 | 119.1 Ų | 119.1 | 65% | 0.645 | 80% | 0.803 | S | S | * | * | | | cis | -167.6 | 145 | -15.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 296 | T | 50.3 | Low | 42.8 | Very low | 136 Ų | 136 | 122.1 Ų | 122.1 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | | | trans | 48.8 | 146.1 | 140.2 | 56.6 | 0 | 0 | 0 | 0 | 125.8 | | |
| 297 | P | 52.9 | Low | 42.7 | Very low | 129 Ų | 129 | 120 Ų | 120 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | trans | -118.2 | -171.3 | 171.6 | 45.2 | -34.6 | 0 | 0 | 0 | 115.2 | | |
| 298 | E | 42 | Very low | 42.9 | Very low | 183 Ų | 183 | 124.9 Ų | 124.9 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | | | trans | -142.9 | 129.4 | 174.9 | -165.7 | 171.2 | 166.9 | 0 | 0 | 108.9 | | |
| 299 | A | 42.4 | Very low | 43.2 | Very low | 91 Ų | 91 | 123.8 Ų | 123.8 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | | | | 69.2 | 154.4 | 69.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 300 | A | 43 | Very low | 43.4 | Very low | 101 Ų | 101 | 127.1 Ų | 127.1 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | cis | -169.3 | 166.5 | -14 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 301 | A | 43.3 | Very low | 43.6 | Very low | 100 Ų | 100 | 129.6 Ų | 129.6 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | cis | -156.5 | -147.4 | -13.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 302 | A | 41.5 | Very low | 43.9 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | | | cis | -157.8 | 172.8 | 2.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 303 | R | 38.8 | Very low | 43.9 | Very low | 234 Ų | 234 | 131.2 Ų | 131.2 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | | | trans | -66.2 | 165.7 | 178.9 | -65.3 | 158.6 | 166.5 | -103.2 | -5.3 | 118.7 | | |
| 304 | S | 42.5 | Very low | 43.9 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | | | trans | -160.8 | 163 | 136.8 | -160.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 305 | T | 41.7 | Very low | 44 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | trans | -152.5 | 153.9 | -165.5 | 47.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 306 | K | 45.6 | Very low | 44.4 | Very low | 200 Ų | 200 | 137 Ų | 137 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | | | trans | -172.7 | 168.5 | 169.6 | -157.8 | 166.9 | -175.6 | 178 | 0 | 111.8 | | |
| 307 | D | 42.5 | Very low | 44.1 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | | -159.2 | 164.7 | -72.6 | -98.2 | -60 | 0 | 0 | 0 | 111 | | |
| 308 | Q | 46.2 | Very low | 43.5 | Very low | 188 Ų | 188 | 138 Ų | 138 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | | | trans | 69.6 | 141.5 | 170.1 | -64.4 | 168.5 | 1.1 | 0 | 0 | 117.5 | | |
| 309 | A | 45.6 | Very low | 43.7 | Very low | 89 Ų | 89 | 135.6 Ų | 135.6 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | | | cis | 96.3 | 144.5 | 23 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 310 | D | 43.2 | Very low | 43.3 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | cis | -158.2 | -159.9 | 8.8 | -151.6 | -95.7 | 0 | 0 | 0 | 113.5 | | |
| 311 | H | 44.9 | Very low | 43.7 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | | | trans | 78.3 | 125.6 | 169.4 | -96.9 | -129.3 | 0 | 0 | 0 | 119.3 | | |
| 312 | V | 45.6 | Very low | 43.4 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | | | | 82.6 | 139.1 | 56.2 | 162.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 313 | S | 39.7 | Very low | 43.5 | Very low | 118 Ų | 118 | 137 Ų | 137 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | cis | -173.2 | 159.4 | -20.9 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 314 | G | 43.7 | Very low | 43.6 | Very low | 78 Ų | 78 | 130.7 Ų | 130.7 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | 173.1 | 123.2 | 173 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 315 | D | 46.4 | Very low | 43.6 | Very low | 150 Ų | 150 | 133.5 Ų | 133.5 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | | | trans | -128.3 | 145.9 | -171.3 | -150.1 | -39 | 0 | 0 | 0 | 111.4 | | |
| 316 | K | 49.9 | Very low | 44 | Very low | 189 Ų | 189 | 139.8 Ų | 139.8 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | trans | -176.8 | 96.2 | 160.4 | -106.4 | 156.8 | -165.6 | -57.9 | 0 | 117.2 | | |
| 317 | Q | 45.6 | Very low | 43.7 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | | | trans | 30.7 | 123.7 | 133.7 | -71.2 | -169 | -80.4 | 0 | 0 | 124.5 | | |
| 318 | V | 40.6 | Very low | 44.2 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 75% | 0.745 | 81% | 0.812 | S | S | * | * | | | | 60.9 | 125.7 | 116.9 | -177.2 | 0 | 0 | 0 | 0 | 121.3 | | |
| 319 | V | 44.9 | Very low | 44.1 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | | | | -172.7 | 142.3 | 115.7 | 148.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 320 | A | 34.9 | Very low | 44.1 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | | | trans | -153.8 | 142.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 321 | P | 51.5 | Low | 44.5 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | | | trans | -135.4 | 158 | 152.3 | 37 | -23.8 | 0 | 0 | 0 | 113.5 | | |
| 322 | A | 37.2 | Very low | 44.5 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | -106.5 | 153.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 323 | A | 43 | Very low | 44.7 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -156.3 | 149.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 324 | A | 41.6 | Very low | 45 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | | | trans | 65.5 | 115 | 152 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 325 | M | 42.3 | Very low | 45.3 | Very low | 179 Ų | 179 | 139.6 Ų | 139.6 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | | | trans | -76.4 | 158.6 | 160 | -49.1 | 153.2 | 85.5 | 0 | 0 | 110.8 | | |
| 326 | R | 49.1 | Very low | 45.8 | Very low | 254 Ų | 254 | 137.9 Ų | 137.9 | 96% | 0.958 | 80% | 0.798 | S | S | * | * | | | trans | -160.9 | 144.1 | 138 | -106.1 | 139.2 | -164.2 | -110.7 | -3.7 | 112.1 | | |
| 327 | S | 38.7 | Very low | 45.9 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -95.4 | 153.6 | 173.4 | -164.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 328 | L | 54.9 | Low | 46.6 | Very low | 174 Ų | 174 | 132.9 Ų | 132.9 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | | | trans | -138.9 | 150.3 | 167.6 | -97.6 | 166.9 | 0 | 0 | 0 | 109.6 | | |
| 329 | D | 43.3 | Very low | 47.2 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 66% | 0.663 | 80% | 0.801 | S | S | * | * | | | trans | -128.2 | 173.1 | -169.2 | -178.8 | 26.5 | 0 | 0 | 0 | 109.5 | | |
| 330 | Q | 45.4 | Very low | 47.1 | Very low | 160 Ų | 160 | 131 Ų | 131 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | trans | 64.4 | 150.1 | -168 | -81.4 | 79.1 | 82.9 | 0 | 0 | 114 | | |
| 331 | S | 51.6 | Low | 48 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | | | cis | -141 | 159.2 | 21 | 51.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 332 | E | 44.9 | Very low | 47.8 | Very low | 181 Ų | 181 | 131.8 Ų | 131.8 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | -82.8 | 139.4 | 173.7 | -177.1 | -175.3 | 114.4 | 0 | 0 | 111.6 | | |
| 333 | I | 50.1 | Low | 48.1 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | trans | -137.6 | 115.5 | 164.8 | -58.9 | -179.4 | 0 | 0 | 0 | 108.6 | | |
| 334 | A | 45 | Very low | 48.4 | Very low | 83 Ų | 83 | 136.7 Ų | 136.7 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | | | trans | -103.2 | 137.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 335 | T | 50.6 | Low | 48.8 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -149.8 | 154.3 | 166.1 | 13.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 336 | P | 56.9 | Low | 49.2 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 163.5 | -156.1 | 32.6 | -37.4 | 0 | 0 | 0 | 115.7 | | |
| 337 | P | 52.6 | Low | 49.4 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 151.7 | -175.6 | 31.5 | -36.8 | 0 | 0 | 0 | 114.1 | | |
| 338 | P | 60.5 | Low | 49.8 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 151.3 | 177.2 | 32.2 | -35.3 | 0 | 0 | 0 | 113.5 | | |
| 339 | S | 51.2 | Low | 50.2 | Low | 113 Ų | 113 | 128.2 Ų | 128.2 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 154.3 | -177.1 | -46.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 340 | A | 44.4 | Very low | 51 | Low | 102 Ų | 102 | 126 Ų | 126 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 133.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 341 | V | 52.6 | Low | 52.6 | Low | 135 Ų | 135 | 124.4 Ų | 124.4 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -138.7 | 124.4 | 168.3 | -76.6 | 0 | 0 | 0 | 0 | 112 | | |
| 342 | S | 47.3 | Very low | 54.1 | Low | 103 Ų | 103 | 126.3 Ų | 126.3 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | | | trans | 44.8 | 100.1 | 157.9 | -157.1 | 0 | 0 | 0 | 0 | 119.5 | F344 | S342-F344 PolarHBondContact O-N 3.33Š|
| 343 | S | 44.5 | Very low | 56.2 | Low | 121 Ų | 121 | 124.3 Ų | 124.3 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | | | trans | -72.5 | 86.1 | 176.9 | -51 | 0 | 0 | 0 | 0 | 114.3 | | |
| 344 | F | 48 | Very low | 58 | Low | 185 Ų | 185 | 121.2 Ų | 121.2 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | | | trans | -139.3 | 44.2 | 169 | -77.8 | -67.2 | 0 | 0 | 0 | 114.7 | S342 | S342-F344 PolarHBondContact O-N 3.33Š|
| 345 | H | 50.9 | Low | 60.2 | Low | 194 Ų | 194 | 121 Ų | 121 | 90% | 0.898 | 73% | 0.73 | S | S | * | * | | | trans | -105.8 | 94.5 | 161.6 | -87.3 | -88.5 | 0 | 0 | 0 | 110.2 | A347 | H345-A347 PolarHBondContact O-N 3.42Š|
| 346 | A | 50.6 | Low | 62.2 | Low | 79 Ų | 79 | 117.7 Ų | 117.7 | 65% | 0.653 | 72% | 0.715 | S | S | * | * | | | trans | -65.2 | 123.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | F348 | A346-F348 PolarHBondContact O-N 3.33Å; A346-F348 VanDerWaalsContact O-N 3.08Å |
| 347 | A | 53.5 | Low | 63.9 | Low | 101 Ų | 101 | 114.8 Ų | 114.8 | 84% | 0.835 | 70% | 0.701 | S | S | * | * | | | trans | -72 | 101.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | H345 | H345-A347 PolarHBondContact O-N 3.42Š|
| 348 | F | 47.3 | Very low | 65.9 | Low | 195 Ų | 195 | 114.5 Ų | 114.5 | 86% | 0.855 | 69% | 0.691 | S | S | * | * | | | trans | -64.7 | 125 | 166 | -73.1 | -88.3 | 0 | 0 | 0 | 108.7 | A346 A350 | A346-F348 PolarHBondContact O-N 3.33Å; A346-F348 VanDerWaalsContact O-N 3.08Å; F348-A350 PolarHBondContact O-N 2.95Å |
| 349 | P | 62.6 | Low | 67.4 | Low | 75 Ų | 75 | 113 Ų | 113 | 49% | 0.487 | 68% | 0.675 | S | S | . | * | | | trans | -67.9 | 117.9 | 177 | 27.4 | -33 | 0 | 0 | 0 | 109.7 | D351 E352 | P349-D351 PolarHBondContact O-N 3.29Å; P349-D351 VanDerWaalsContact O-N 3.14Å; P349-E352 HydrophobicContact CG-CG 4.29Å |
| 350 | A | 61.1 | Low | 69.4 | Low | 77 Ų | 77 | 113.5 Ų | 113.5 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -11.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F348 T354 | F348-A350 PolarHBondContact O-N 2.95Å; A350-T354 PolarHBondContact O-OG1 3.2Å |
| 351 | D | 78 | Confident | 71.7 | Confident | 127 Ų | 127 | 114.8 Ų | 114.8 | 68% | 0.679 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -61.6 | -45 | 176 | -93.6 | -38.5 | 0 | 0 | 0 | 112.9 | P349 I353 T354 D355 | P349-D351 PolarHBondContact O-N 3.29Å; P349-D351 VanDerWaalsContact O-N 3.14Å; D351-I353 VanDerWaalsContact C-N 3.3Å; D351-I353 PolarHBondContact O-N 2.88Å; D351-T354 CarbonylContact O-C 3.56Å; D351-T354 WeakPolarHBondContact O-CA 3.4Å; D351-T354 WeakPolarHBondContact O-CB 3.46Å; D351-T354 PolarHBondContact O-N 3.5Å; D351-D355 PolarHBondContact O-N 3.42Å |
| 352 | E | 83.7 | Confident | 73.4 | Confident | 144 Ų | 144 | 112.7 Ų | 112.7 | 67% | 0.673 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -60.2 | -38.8 | -170.9 | -68.3 | -175 | -178 | 0 | 0 | 113 | P349 T354 A356 | P349-E352 HydrophobicContact CG-CG 4.29Å; E352-T354 VanDerWaalsContact C-N 3.35Å; E352-A356 WeakPolarHBondContact O-CB 3.34Å; E352-A356 PolarHBondContact O-N 3.02Å; E352-A356 VanDerWaalsContact O-N 3.08Å |
| 353 | I | 88.6 | Confident | 75.6 | Confident | 139 Ų | 139 | 113.3 Ų | 113.3 | 71% | 0.713 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.3 | -35.1 | 176.8 | -61.1 | 176.2 | 0 | 0 | 0 | 110.6 | D351 A357 | D351-I353 VanDerWaalsContact C-N 3.3Å; D351-I353 PolarHBondContact O-N 2.88Å; I353-A357 WeakPolarHBondContact O-CB 3.49Å; I353-A357 PolarHBondContact O-N 3.44Å; I353-A357 VanDerWaalsContact O-N 3.11Å |
| 354 | T | 88.8 | Confident | 77.8 | Confident | 85 Ų | 85 | 110.9 Ų | 110.9 | 52% | 0.521 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -71.9 | -47.2 | -178.8 | -54.2 | 0 | 0 | 0 | 0 | 111 | A350 D351 E352 A357 M358 | A350-T354 PolarHBondContact O-OG1 3.2Å; D351-T354 CarbonylContact O-C 3.56Å; D351-T354 WeakPolarHBondContact O-CA 3.4Å; D351-T354 WeakPolarHBondContact O-CB 3.46Å; D351-T354 PolarHBondContact O-N 3.5Å; E352-T354 VanDerWaalsContact C-N 3.35Å; T354-A357 PolarHBondContact O-N 3.09Å; T354-M358 WeakPolarHBondContact O-CB 3.34Å; T354-M358 PolarHBondContact O-N 2.94Å |
| 355 | D | 90.3 | Very high | 79.5 | Confident | 79 Ų | 79 | 106.5 Ų | 106.5 | 42% | 0.422 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66 | -42.3 | 176.7 | -170.8 | 50.8 | 0 | 0 | 0 | 111.5 | D351 A357 M358 L359 | D351-D355 PolarHBondContact O-N 3.42Å; D355-A357 VanDerWaalsContact C-N 3.28Å; D355-A357 PolarHBondContact O-N 2.93Å; D355-M358 PolarHBondContact O-N 3.27Å; D355-M358 VanDerWaalsContact O-N 3.07Å; D355-M358 WeakPolarHBondContact OD1-CE 3.42Å; D355-L359 WeakPolarHBondContact O-CB 3.39Å; D355-L359 WeakPolarHBondContact O-CG 3.44Å; D355-L359 PolarHBondContact O-N 3.01Å |
| 356 | A | 93.4 | Very high | 80.6 | Confident | 58 Ų | 58 | 99.5 Ų | 99.5 | 48% | 0.479 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -58.4 | -38.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E352 L360 | E352-A356 WeakPolarHBondContact O-CB 3.34Å; E352-A356 PolarHBondContact O-N 3.02Å; E352-A356 VanDerWaalsContact O-N 3.08Å; A356-L360 WeakPolarHBondContact O-CB 3.4Å; A356-L360 PolarHBondContact O-N 3.23Å; A356-L360 VanDerWaalsContact O-N 3.1Å |
| 357 | A | 93 | Very high | 81 | Confident | 53 Ų | 53 | 102.6 Ų | 102.6 | 44% | 0.438 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.2 | -39.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I353 T354 D355 L360 M361 | I353-A357 WeakPolarHBondContact O-CB 3.49Å; I353-A357 PolarHBondContact O-N 3.44Å; I353-A357 VanDerWaalsContact O-N 3.11Å; T354-A357 PolarHBondContact O-N 3.09Å; D355-A357 VanDerWaalsContact C-N 3.28Å; D355-A357 PolarHBondContact O-N 2.93Å; A357-L360 PolarHBondContact O-N 3.16Å; A357-M361 WeakPolarHBondContact O-CG 3.34Å; A357-M361 PolarHBondContact O-N 3.26Å |
| 358 | M | 92.7 | Very high | 81.3 | Confident | 113 Ų | 113 | 103.6 Ų | 103.6 | 56% | 0.557 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.9 | -39.4 | 178.6 | -166.5 | 167.7 | 61.9 | 0 | 0 | 112.1 | T354 D355 M361 T362 | T354-M358 WeakPolarHBondContact O-CB 3.34Å; T354-M358 PolarHBondContact O-N 2.94Å; D355-M358 PolarHBondContact O-N 3.27Å; D355-M358 VanDerWaalsContact O-N 3.07Å; D355-M358 WeakPolarHBondContact OD1-CE 3.42Å; M358-M361 PolarHBondContact O-N 3.15Å; M358-T362 WeakPolarHBondContact O-CB 3.39Å; M358-T362 PolarHBondContact O-N 3.49Å; M358-T362 PolarHBondContact O-OG1 3.42Å |
| 359 | L | 93.3 | Very high | 81.6 | Confident | 94 Ų | 94 | 105.4 Ų | 105.4 | 49% | 0.492 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.7 | -42.6 | 171 | -70.3 | 171 | 0 | 0 | 0 | 111.7 | D355 M361 T362 L363 | D355-L359 WeakPolarHBondContact O-CB 3.39Å; D355-L359 WeakPolarHBondContact O-CG 3.44Å; D355-L359 PolarHBondContact O-N 3.01Å; L359-M361 PolarHBondContact O-N 3.2Å; L359-T362 PolarHBondContact O-N 3.42Å; L359-L363 WeakPolarHBondContact O-CB 3.43Å; L359-L363 WeakPolarHBondContact O-CG 3.35Å; L359-L363 PolarHBondContact O-N 2.73Å |
| 360 | L | 93.6 | Very high | 81 | Confident | 125 Ų | 125 | 110.2 Ų | 110.2 | 65% | 0.654 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.4 | -41.1 | 177.4 | -165.1 | 78.2 | 0 | 0 | 0 | 112.2 | A356 A357 S364 | A356-L360 WeakPolarHBondContact O-CB 3.4Å; A356-L360 PolarHBondContact O-N 3.23Å; A356-L360 VanDerWaalsContact O-N 3.1Å; A357-L360 PolarHBondContact O-N 3.16Å; L360-S364 WeakPolarHBondContact O-CB 3.38Å; L360-S364 PolarHBondContact O-N 3.3Å; L360-S364 PolarHBondContact O-OG 2.94Å |
| 361 | M | 91.6 | Very high | 82 | Confident | 129 Ų | 129 | 111.9 Ų | 111.9 | 64% | 0.635 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.1 | -43.1 | 173 | -70.6 | -70.2 | -75.4 | 0 | 0 | 111.3 | A357 M358 L359 S364 C365 | A357-M361 WeakPolarHBondContact O-CG 3.34Å; A357-M361 PolarHBondContact O-N 3.26Å; M358-M361 PolarHBondContact O-N 3.15Å; L359-M361 PolarHBondContact O-N 3.2Å; M361-S364 WeakPolarHBondContact CA-OG 3.26Å; M361-S364 PolarHBondContact O-N 2.93Å; M361-S364 PolarHBondContact O-OG 3.29Å; M361-S364 VanDerWaalsContact O-OG 3.09Å; M361-C365 PolarHBondContact O-N 3.34Å; M361-C365 PolarHBondContact O-SG 3.11Å; M361-C365 VanDerWaalsContact O-SG 3.32Å |
| 362 | T | 89.4 | Confident | 82.2 | Confident | 91 Ų | 91 | 111.1 Ų | 111.1 | 56% | 0.558 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.3 | -45.9 | 178.3 | -56.9 | 0 | 0 | 0 | 0 | 112 | M358 L359 S364 C365 G366 | M358-T362 WeakPolarHBondContact O-CB 3.39Å; M358-T362 PolarHBondContact O-N 3.49Å; M358-T362 PolarHBondContact O-OG1 3.42Å; L359-T362 PolarHBondContact O-N 3.42Å; T362-S364 PolarHBondContact O-N 3.39Å; T362-C365 PolarHBondContact O-N 3.06Å; T362-G366 PolarHBondContact O-N 2.84Å |
| 363 | L | 92.8 | Very high | 82.1 | Confident | 116 Ų | 116 | 109.2 Ų | 109.2 | 61% | 0.607 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.7 | -40.7 | 177.8 | -71.9 | 169.8 | 0 | 0 | 0 | 112.4 | L359 G366 L367 | L359-L363 WeakPolarHBondContact O-CB 3.43Å; L359-L363 WeakPolarHBondContact O-CG 3.35Å; L359-L363 PolarHBondContact O-N 2.73Å; L363-G366 PolarHBondContact O-N 2.87Å; L363-L367 PolarHBondContact O-N 2.76Å |
| 364 | S | 90.9 | Very high | 81.7 | Confident | 70 Ų | 70 | 107.5 Ų | 107.5 | 49% | 0.49 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.9 | -26.1 | 178.4 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | L360 M361 T362 | L360-S364 WeakPolarHBondContact O-CB 3.38Å; L360-S364 PolarHBondContact O-N 3.3Å; L360-S364 PolarHBondContact O-OG 2.94Å; M361-S364 WeakPolarHBondContact CA-OG 3.26Å; M361-S364 PolarHBondContact O-N 2.93Å; M361-S364 PolarHBondContact O-OG 3.29Å; M361-S364 VanDerWaalsContact O-OG 3.09Å; T362-S364 PolarHBondContact O-N 3.39Å |
| 365 | C | 83.9 | Confident | 81.3 | Confident | 93 Ų | 93 | 108.9 Ų | 108.9 | 63% | 0.628 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -75 | -34.9 | 167.2 | -69.3 | 0 | 0 | 0 | 0 | 113.1 | M361 T362 | M361-C365 PolarHBondContact O-N 3.34Å; M361-C365 PolarHBondContact O-SG 3.11Å; M361-C365 VanDerWaalsContact O-SG 3.32Å; T362-C365 PolarHBondContact O-N 3.06Å |
| 366 | G | 73.9 | Confident | 80.7 | Confident | 46 Ų | 46 | 110.9 Ų | 110.9 | 47% | 0.474 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -68.9 | -40.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T362 L363 V368 R369 | T362-G366 PolarHBondContact O-N 2.84Å; L363-G366 PolarHBondContact O-N 2.87Å; G366-V368 PolarHBondContact O-N 3.43Å; G366-R369 PolarHBondContact O-N 3.35Å |
| 367 | L | 59.4 | Low | 79.8 | Confident | 145 Ų | 145 | 114.6 Ų | 114.6 | 76% | 0.759 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 6.4 | -174.3 | -117.9 | 98.2 | 0 | 0 | 0 | 115.8 | L363 | L363-L367 PolarHBondContact O-N 2.76Š|
| 368 | V | 58.3 | Low | 78.8 | Confident | 121 Ų | 121 | 119.4 Ų | 119.4 | 73% | 0.733 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | 6.2 | 179.1 | -172.3 | 0 | 0 | 0 | 0 | 111.5 | G366 | G366-V368 PolarHBondContact O-N 3.43Š|
| 369 | R | 54 | Low | 77.6 | Confident | 233 Ų | 233 | 119.9 Ų | 119.9 | 88% | 0.879 | 68% | 0.679 | S | S | * | * | | | trans | -136.2 | 63.4 | 179.5 | -75.7 | -172.7 | 141.2 | 105.6 | -2.7 | 112.9 | G366 | G366-R369 PolarHBondContact O-N 3.35Š|
| 370 | S | 50.5 | Low | 76.2 | Confident | 176 Ų | 176 | 122.3 Ų | 122.3 | 100% | 1.231 | 70% | 0.695 | S | S | * | * | | | trans | -148.2 | 0 | 168.1 | 63.1 | 0 | 0 | 0 | 0 | 110.5 | | |