| 1 | M | 36.4 | Very low | 38 | Very low | 231 Ų | 231 | 159.8 Ų | 159.8 | 100% | 1.138 | 84% | 0.838 | S | S | * | * | | | | 0 | 161.6 | 0 | -67.3 | 65.5 | 173.3 | 0 | 0 | 107.8 | | |
| 2 | D | 37.5 | Very low | 38 | Very low | 143 Ų | 143 | 161.1 Ų | 161.1 | 77% | 0.765 | 84% | 0.836 | S | S | * | * | | | trans | -18.9 | 124.1 | 176.4 | -63.3 | -99.7 | 0 | 0 | 0 | 116.6 | | |
| 3 | V | 38.3 | Very low | 38.9 | Very low | 138 Ų | 138 | 156.1 Ų | 156.1 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | | | | 70.3 | 107.3 | 76.1 | 174 | 0 | 0 | 0 | 0 | 111.7 | | |
| 4 | A | 40.3 | Very low | 38.5 | Very low | 102 Ų | 102 | 157.6 Ų | 157.6 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | | | trans | -102.6 | 160.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 5 | A | 46.3 | Very low | 38.1 | Very low | 111 Ų | 111 | 153.5 Ų | 153.5 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | | | trans | -96.3 | 178.1 | -160.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 6 | D | 38.3 | Very low | 37.7 | Very low | 136 Ų | 136 | 149.8 Ų | 149.8 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | | | trans | -98.8 | 147.2 | -153.5 | -165.6 | -138.8 | 0 | 0 | 0 | 114.7 | | |
| 7 | Q | 34.9 | Very low | 37.4 | Very low | 156 Ų | 156 | 151.2 Ų | 151.2 | 73% | 0.729 | 82% | 0.818 | S | S | * | * | | | trans | 67.2 | 178.1 | 156.6 | -59.2 | -88.8 | -18.9 | 0 | 0 | 118 | | |
| 8 | P | 50.8 | Low | 37.2 | Very low | 101 Ų | 101 | 150.5 Ų | 150.5 | 66% | 0.656 | 81% | 0.813 | S | S | * | * | | | | -140.6 | 165.5 | -73.3 | 41.9 | -26.1 | 0 | 0 | 0 | 115.6 | | |
| 9 | R | 31 | Very low | 36.8 | Very low | 236 Ų | 236 | 150.1 Ų | 150.1 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | | | trans | -157.2 | 134.6 | 148.8 | -141.7 | 171 | -175.1 | 173 | 1.3 | 114.4 | | |
| 10 | W | 30.9 | Very low | 36.4 | Very low | 238 Ų | 238 | 146.1 Ų | 146.1 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | | | trans | -99.8 | 141.9 | 167.4 | -79.9 | 87.5 | 0 | 0 | 0 | 110.8 | | |
| 11 | M | 33.2 | Very low | 36.2 | Very low | 166 Ų | 166 | 147.1 Ų | 147.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -140.3 | 160.7 | 153 | -72.6 | -154.4 | 75.3 | 0 | 0 | 110.9 | | |
| 12 | H | 38.1 | Very low | 36.1 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | | | trans | -82 | -175.9 | -176 | -73.9 | 56.1 | 0 | 0 | 0 | 110.9 | | |
| 13 | P | 49.6 | Very low | 36.7 | Very low | 96 Ų | 96 | 143.1 Ų | 143.1 | 62% | 0.623 | 79% | 0.787 | S | S | * | * | | | cis | -147.6 | -150.6 | 19.7 | 42.5 | -18.3 | 0 | 0 | 0 | 116.9 | | |
| 14 | H | 33 | Very low | 36.3 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 82% | 0.819 | 79% | 0.785 | S | S | * | * | | | trans | 84.7 | 146.2 | 174.5 | -51 | -71.5 | 0 | 0 | 0 | 117.2 | | |
| 15 | A | 32.9 | Very low | 35.9 | Very low | 97 Ų | 97 | 143.4 Ų | 143.4 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | cis | -160.6 | 170.5 | -22.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 16 | A | 32.2 | Very low | 35.5 | Very low | 93 Ų | 93 | 145.1 Ų | 145.1 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | | | trans | -59.5 | -173 | -170.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 17 | M | 31.9 | Very low | 35.4 | Very low | 174 Ų | 174 | 145.2 Ų | 145.2 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | | | trans | 93.3 | 144.7 | 169.9 | -59.8 | -166.6 | 159.1 | 0 | 0 | 117.3 | | |
| 18 | L | 33.8 | Very low | 35.4 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | | | cis | -160.7 | 145 | -18.6 | -115 | 169.2 | 0 | 0 | 0 | 111.3 | | |
| 19 | N | 29.4 | Very low | 34.3 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | | | trans | 46.2 | 151.7 | 149.6 | -142.2 | 27.3 | 0 | 0 | 0 | 124.7 | | |
| 20 | G | 29.7 | Very low | 34.5 | Very low | 70 Ų | 70 | 141 Ų | 141 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | | | trans | 155.5 | 123.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 21 | Q | 32.3 | Very low | 34.6 | Very low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | -137 | 125.4 | -170.1 | -68 | 162.5 | -94.4 | 0 | 0 | 114.5 | | |
| 22 | H | 33 | Very low | 34.6 | Very low | 184 Ų | 184 | 134.3 Ų | 134.3 | 85% | 0.852 | 76% | 0.761 | S | S | * | * | | | trans | 53.6 | -175.3 | 149.2 | -122.6 | -134.7 | 0 | 0 | 0 | 117.8 | | |
| 23 | P | 50.3 | Low | 34.2 | Very low | 105 Ų | 105 | 131.3 Ų | 131.3 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | | | cis | -121.5 | -179.8 | -17.3 | 40.8 | -26.5 | 0 | 0 | 0 | 113.9 | | |
| 24 | D | 29.8 | Very low | 33.3 | Very low | 146 Ų | 146 | 134.8 Ų | 134.8 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | | | trans | -155.5 | 177.2 | 155.7 | -138.3 | -30.8 | 0 | 0 | 0 | 113.9 | | |
| 25 | S | 32.9 | Very low | 33.4 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | trans | -153.8 | 164.6 | -150.8 | -84.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 26 | H | 37.8 | Very low | 33.6 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 68% | 0.676 | 75% | 0.746 | S | S | * | * | | | cis | -170.6 | 171.6 | -27 | -152.5 | -133.7 | 0 | 0 | 0 | 110.2 | | |
| 27 | H | 35.2 | Very low | 34 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 64% | 0.644 | 75% | 0.749 | S | S | * | * | | | trans | 64.4 | 163.5 | 165.4 | -60.8 | -61.9 | 0 | 0 | 0 | 118.8 | | |
| 28 | H | 34.6 | Very low | 34.2 | Very low | 169 Ų | 169 | 133.1 Ų | 133.1 | 78% | 0.782 | 74% | 0.74 | S | S | * | * | | | cis | -159.1 | 151.8 | -21.6 | -118.4 | -44.6 | 0 | 0 | 0 | 112 | | |
| 29 | G | 28.2 | Very low | 34.1 | Very low | 65 Ų | 65 | 132 Ų | 132 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | | | trans | 74.5 | 158.8 | 150 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 30 | L | 36.6 | Very low | 34.3 | Very low | 170 Ų | 170 | 133.3 Ų | 133.3 | 89% | 0.89 | 74% | 0.74 | S | S | * | * | | | cis | -136.9 | 155.7 | -7.7 | -77 | 169.9 | 0 | 0 | 0 | 108.8 | | |
| 31 | G | 31.2 | Very low | 34.5 | Very low | 70 Ų | 70 | 136.9 Ų | 136.9 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | | | trans | -116.4 | 151.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 32 | H | 34.7 | Very low | 34.5 | Very low | 194 Ų | 194 | 136.4 Ų | 136.4 | 90% | 0.898 | 74% | 0.744 | S | S | * | * | | | trans | -133 | 149.3 | 168.1 | -98 | -91.8 | 0 | 0 | 0 | 110.5 | | |
| 33 | S | 29.3 | Very low | 35.1 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | | | trans | -100.4 | 160.5 | -167.3 | -157.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 34 | Y | 30.4 | Very low | 35.1 | Very low | 169 Ų | 169 | 133.8 Ų | 133.8 | 66% | 0.663 | 74% | 0.744 | S | S | * | * | | | trans | -12.3 | 126.2 | 151.5 | -179.4 | -93.1 | 0 | 0 | 0 | 116.7 | | |
| 35 | M | 35 | Very low | 35.5 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | | | trans | -146.1 | 144.5 | 146.7 | -101.5 | -68.1 | 94.6 | 0 | 0 | 110.8 | | |
| 36 | E | 36.8 | Very low | 35.7 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 50% | 0.5 | 75% | 0.75 | S | S | . | * | | | trans | -103.2 | 151.6 | 177.3 | -179.5 | -174.2 | 126.1 | 0 | 0 | 109.6 | T38 | E36-T38 WeakPolarHBondContact OE1-CG2 3.35Å; E36-T38 PolarHBondContact OE1-OG1 3.09Å |
| 37 | P | 40.7 | Very low | 35.9 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | trans | -119 | 101.6 | 158.3 | 34 | -21.5 | 0 | 0 | 0 | 111.8 | | |
| 38 | T | 36 | Very low | 35.9 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | | | trans | -88.7 | 119.6 | 165.6 | 0.4 | 0 | 0 | 0 | 0 | 109.8 | E36 | E36-T38 WeakPolarHBondContact OE1-CG2 3.35Å; E36-T38 PolarHBondContact OE1-OG1 3.09Å |
| 39 | T | 32.4 | Very low | 36.4 | Very low | 115 Ų | 115 | 135 Ų | 135 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | -176.6 | 135.8 | 148 | 26.2 | 0 | 0 | 0 | 0 | 113 | | |
| 40 | Q | 34.1 | Very low | 36.7 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | trans | 51 | 151.6 | 140.6 | -57.9 | 172.6 | 57.6 | 0 | 0 | 121.1 | | |
| 41 | L | 32.5 | Very low | 36.6 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | | | cis | 165.8 | 121.2 | -40.2 | -102.3 | 170.4 | 0 | 0 | 0 | 106.2 | | |
| 42 | L | 32.3 | Very low | 36.7 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | 66 | 159.7 | 164.2 | -62.1 | 155.7 | 0 | 0 | 0 | 118.2 | | |
| 43 | P | 46.6 | Very low | 36.9 | Very low | 114 Ų | 114 | 145.3 Ų | 145.3 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | | | cis | -124.5 | 176.5 | -34.6 | 38.3 | -24.5 | 0 | 0 | 0 | 112.3 | | |
| 44 | P | 49.8 | Very low | 37.2 | Very low | 121 Ų | 121 | 148.4 Ų | 148.4 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | trans | -116.3 | 112.6 | 179.7 | 35.8 | -21.9 | 0 | 0 | 0 | 114.4 | | |
| 45 | D | 37.5 | Very low | 37.5 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -164.3 | 168 | 149.4 | -139.1 | -45.2 | 0 | 0 | 0 | 110.7 | | |
| 46 | E | 37.8 | Very low | 37.4 | Very low | 172 Ų | 172 | 145 Ų | 145 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | 65 | 142.6 | 172.4 | -51.7 | -172.5 | -149.5 | 0 | 0 | 116.6 | | |
| 47 | V | 41.5 | Very low | 37.5 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | cis | -133.1 | 145.4 | -2.5 | -78.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 48 | D | 36.6 | Very low | 37.1 | Very low | 167 Ų | 167 | 146.7 Ų | 146.7 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | | | trans | -110.2 | 84.4 | 173.8 | -169.8 | 6.6 | 0 | 0 | 0 | 110.7 | | |
| 49 | V | 44.9 | Very low | 36.8 | Very low | 114 Ų | 114 | 148.3 Ų | 148.3 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | | | trans | -143.2 | 97.3 | -179.4 | -176.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 50 | F | 34.2 | Very low | 37.5 | Very low | 185 Ų | 185 | 147.5 Ų | 147.5 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | | | trans | -171.1 | 155.2 | 140.3 | -106.9 | -68.5 | 0 | 0 | 0 | 111.3 | | |
| 51 | F | 35 | Very low | 37.5 | Very low | 183 Ų | 183 | 150.8 Ų | 150.8 | 80% | 0.803 | 80% | 0.804 | S | S | * | * | | | trans | 62.4 | 67.1 | 175.4 | -70.4 | -77.1 | 0 | 0 | 0 | 118.4 | | |
| 52 | N | 33.2 | Very low | 37.9 | Very low | 166 Ų | 166 | 153.6 Ų | 153.6 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | | | trans | -130.4 | 75.8 | 139.8 | -92.7 | -80.5 | 0 | 0 | 0 | 110.2 | | |
| 53 | H | 38 | Very low | 38.8 | Very low | 182 Ų | 182 | 151.8 Ų | 151.8 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | | | trans | -152.3 | 98.3 | 168.2 | -106.2 | -48.6 | 0 | 0 | 0 | 110.2 | | |
| 54 | L | 36.3 | Very low | 38.2 | Very low | 175 Ų | 175 | 153.1 Ų | 153.1 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | | | trans | 179.2 | 87.6 | 152.8 | -104.4 | 164.8 | 0 | 0 | 0 | 108.9 | | |
| 55 | D | 36.6 | Very low | 37.5 | Very low | 155 Ų | 155 | 153.9 Ų | 153.9 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | | | trans | -151.9 | 106.5 | 166.4 | -170 | 10.5 | 0 | 0 | 0 | 109.3 | | |
| 56 | S | 33.7 | Very low | 37.4 | Very low | 107 Ų | 107 | 150.8 Ų | 150.8 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | trans | -172.3 | 58.5 | -178.9 | 52.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 57 | Q | 37.8 | Very low | 37.2 | Very low | 196 Ų | 196 | 154.8 Ų | 154.8 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | | | trans | -142.1 | 135.1 | 142.9 | -74.6 | -153.4 | 8.1 | 0 | 0 | 108.5 | | |
| 58 | G | 32.1 | Very low | 36.9 | Very low | 73 Ų | 73 | 153.9 Ų | 153.9 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | | | trans | -148.7 | 157 | -162.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 59 | N | 30.8 | Very low | 36.8 | Very low | 142 Ų | 142 | 157.4 Ų | 157.4 | 76% | 0.759 | 82% | 0.817 | S | S | * | * | | | trans | 67.2 | 167.8 | 158.7 | -104.7 | -2.8 | 0 | 0 | 0 | 117.6 | | |
| 60 | P | 46 | Very low | 36.3 | Very low | 98 Ų | 98 | 158.7 Ų | 158.7 | 64% | 0.636 | 82% | 0.824 | S | S | * | * | | | cis | -129.2 | 136.8 | -5 | 33.6 | -16 | 0 | 0 | 0 | 115.8 | | |
| 61 | Y | 33.4 | Very low | 36.2 | Very low | 239 Ų | 239 | 155 Ų | 155 | 94% | 0.937 | 82% | 0.822 | S | S | * | * | | | trans | -162.1 | 135.2 | 139.9 | -99.4 | -70.7 | 0 | 0 | 0 | 109.7 | | |
| 62 | Y | 40.8 | Very low | 36.1 | Very low | 205 Ų | 205 | 156.1 Ų | 156.1 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | trans | -88.8 | 169.7 | -175.3 | -98.9 | -133.9 | 0 | 0 | 0 | 112.7 | | |
| 63 | P | 52 | Low | 36 | Very low | 121 Ų | 121 | 153.9 Ų | 153.9 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | | | cis | -131 | -178 | -10.8 | 26.5 | -3.1 | 0 | 0 | 0 | 115.9 | | |
| 64 | N | 34.3 | Very low | 35.7 | Very low | 141 Ų | 141 | 151.6 Ų | 151.6 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | | | trans | -88.2 | 154.8 | -177.3 | 175.5 | 6.5 | 0 | 0 | 0 | 114.3 | A66 | N64-A66 PolarHBondContact OD1-N 3.06Š|
| 65 | T | 34.6 | Very low | 35.4 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | | | trans | -149.8 | 125.9 | 141 | -16.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 66 | A | 36.4 | Very low | 35.3 | Very low | 88 Ų | 88 | 148.3 Ų | 148.3 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | 55.6 | 100 | 151.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | N64 | N64-A66 PolarHBondContact OD1-N 3.06Š|
| 67 | R | 33.9 | Very low | 35.1 | Very low | 256 Ų | 256 | 147.6 Ų | 147.6 | 97% | 0.966 | 80% | 0.801 | S | S | * | * | | | trans | -123 | 130.1 | 139.2 | -84.6 | -177.1 | 173.2 | 148.5 | -0.9 | 109.2 | | |
| 68 | A | 34 | Very low | 35 | Very low | 100 Ų | 100 | 149.8 Ų | 149.8 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | | | trans | -111.5 | 128.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 69 | R | 34.7 | Very low | 35.4 | Very low | 241 Ų | 241 | 154.4 Ų | 154.4 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | | | trans | -90.9 | 147.2 | 160.4 | -80.8 | -176.5 | 172.4 | 176.5 | -2.2 | 108.2 | | |
| 70 | V | 35 | Very low | 35.6 | Very low | 141 Ų | 141 | 154.9 Ų | 154.9 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | | | trans | -126 | 125.6 | 161 | 177.2 | 0 | 0 | 0 | 0 | 107 | | |
| 71 | S | 31.2 | Very low | 34.8 | Very low | 109 Ų | 109 | 154 Ų | 154 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | | | trans | -95.7 | 164.9 | 174.9 | -67.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 72 | Y | 33.1 | Very low | 34.8 | Very low | 206 Ų | 206 | 148.1 Ų | 148.1 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | | | trans | -68.1 | 152.9 | -172.6 | -132.7 | -102.8 | 0 | 0 | 0 | 113.7 | | |
| 73 | S | 30.9 | Very low | 34.5 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | | | trans | -141.9 | 146.8 | 152.3 | 65.7 | 0 | 0 | 0 | 0 | 110 | | |
| 74 | Q | 31.8 | Very low | 33.6 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 63% | 0.626 | 81% | 0.807 | S | S | * | * | | | trans | -129.4 | 131 | -173.9 | 176.4 | 81.6 | 32.8 | 0 | 0 | 107.8 | | |
| 75 | A | 29.9 | Very low | 33.5 | Very low | 97 Ų | 97 | 145.1 Ų | 145.1 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | | | trans | -137.4 | 152.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 76 | H | 34.2 | Very low | 33.7 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | | | trans | -119.3 | 166.2 | -170.9 | -87.1 | -89.4 | 0 | 0 | 0 | 113.2 | | |
| 77 | A | 31 | Very low | 34 | Very low | 92 Ų | 92 | 149.2 Ų | 149.2 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | | | trans | 79.3 | 154.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 78 | R | 34.4 | Very low | 33.9 | Very low | 242 Ų | 242 | 142.9 Ų | 142.9 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | | | cis | -133.4 | 170 | 1.2 | -88.3 | -164.5 | 173.8 | -119.8 | -2.6 | 112.3 | | |
| 79 | L | 40.5 | Very low | 34.1 | Very low | 170 Ų | 170 | 144.8 Ų | 144.8 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | | | trans | -79.9 | 137 | 167.3 | -72.4 | 150.4 | 0 | 0 | 0 | 112.4 | | |
| 80 | T | 36 | Very low | 34 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 93% | 0.926 | 77% | 0.774 | S | S | * | * | | | trans | -166.2 | 165.3 | 148.1 | 39.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 81 | G | 29.5 | Very low | 33.8 | Very low | 80 Ų | 80 | 140.7 Ų | 140.7 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | trans | 106.6 | 80.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 82 | T | 33.2 | Very low | 34 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | -78.1 | 153.3 | 159.1 | 47.7 | 0 | 0 | 0 | 0 | 111 | | |
| 83 | Q | 34.3 | Very low | 34.9 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | | | | 161.1 | 148.4 | 112.3 | -76.9 | -50.6 | -7.8 | 0 | 0 | 113.5 | | |
| 84 | V | 32.3 | Very low | 35.1 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 71% | 0.709 | 76% | 0.762 | S | S | * | * | | | trans | 22.3 | 130.6 | 156.7 | -52.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 85 | C | 33.5 | Very low | 35.7 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 88% | 0.878 | 77% | 0.773 | S | S | * | * | | | | -176.3 | 155.4 | 98.2 | -107.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 86 | R | 38.9 | Very low | 35.8 | Very low | 200 Ų | 200 | 135.6 Ų | 135.6 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | trans | -138.4 | 132.2 | 179.7 | 170.2 | -174 | 168.9 | 155.8 | -2 | 109.6 | H88 | R86-H88 PolarHBondContact NE-CD2 3.33Å; R86-H88 PolarHBondContact NE-NE2 2.87Å; R86-H88 VanDerWaalsContact NE-NE2 3.11Å; R86-H88 PolarHBondContact NH2-NE2 3.38Å |
| 87 | P | 42.2 | Very low | 35.9 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -130.5 | 152.5 | 139.8 | 41.5 | -31.4 | 0 | 0 | 0 | 110.6 | | |
| 88 | H | 32.3 | Very low | 36.6 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 57% | 0.565 | 77% | 0.768 | S | S | * | * | | | cis | 66.3 | 125.3 | 44.9 | -72.1 | -82 | 0 | 0 | 0 | 110.8 | R86 | R86-H88 PolarHBondContact NE-CD2 3.33Å; R86-H88 PolarHBondContact NE-NE2 2.87Å; R86-H88 VanDerWaalsContact NE-NE2 3.11Å; R86-H88 PolarHBondContact NH2-NE2 3.38Å |
| 89 | L | 37.3 | Very low | 36.7 | Very low | 140 Ų | 140 | 136.6 Ų | 136.6 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | | | cis | -157.2 | 176.7 | 15.4 | -87.1 | 130.5 | 0 | 0 | 0 | 112.5 | | |
| 90 | L | 32.8 | Very low | 36.3 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 68% | 0.681 | 75% | 0.754 | S | S | * | * | | | trans | 92.4 | 145.2 | 135.2 | -116.3 | 58.4 | 0 | 0 | 0 | 122.7 | | |
| 91 | H | 31.1 | Very low | 36.4 | Very low | 166 Ų | 166 | 127.4 Ų | 127.4 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | | | trans | 74.2 | 96 | 162 | -59 | 131.5 | 0 | 0 | 0 | 122.3 | | |
| 92 | S | 34.9 | Very low | 37 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | | | | -90.6 | 161.3 | 124 | -50.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 93 | P | 52.5 | Low | 37.1 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | | | | -138.2 | 167.7 | 74.7 | 37.1 | -21.5 | 0 | 0 | 0 | 114 | | |
| 94 | G | 35.4 | Very low | 37.1 | Very low | 59 Ų | 59 | 129.1 Ų | 129.1 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | | | cis | 160.8 | -169.9 | -3 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 95 | I | 42.4 | Very low | 37.2 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | | | trans | 69.1 | 131.8 | 164.2 | -46.3 | 168.9 | 0 | 0 | 0 | 114.9 | | |
| 96 | S | 32.8 | Very low | 37.1 | Very low | 90 Ų | 90 | 130.5 Ų | 130.5 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | | | cis | -159.5 | 165.2 | -19.6 | -91.8 | 0 | 0 | 0 | 0 | 105.9 | | |
| 97 | W | 36.4 | Very low | 36.9 | Very low | 232 Ų | 232 | 125.9 Ų | 125.9 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | | | | -162.4 | 174.2 | 62.7 | -90 | 77.7 | 0 | 0 | 0 | 112.1 | | |
| 98 | L | 46.3 | Very low | 36.4 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | | | trans | -57.7 | 166.9 | -172.4 | -61.6 | 91.4 | 0 | 0 | 0 | 114.9 | | |
| 99 | D | 35.9 | Very low | 36.6 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | cis | -146.9 | 173 | 19 | -161.4 | 12.8 | 0 | 0 | 0 | 114.1 | | |
| 100 | G | 33.2 | Very low | 36.5 | Very low | 67 Ų | 67 | 133.6 Ų | 133.6 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | | | trans | -86.2 | -172 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 101 | G | 37.2 | Very low | 36.9 | Very low | 60 Ų | 60 | 136.1 Ų | 136.1 | 62% | 0.619 | 78% | 0.783 | S | S | * | * | | | cis | 167.6 | 147.7 | -6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 102 | K | 41.1 | Very low | 37.1 | Very low | 207 Ų | 207 | 135.8 Ų | 135.8 | 90% | 0.9 | 79% | 0.787 | S | S | * | * | | | trans | 166.7 | 155.2 | 143 | 62.8 | -167.8 | 122 | -68.2 | 0 | 111 | | |
| 103 | A | 35.5 | Very low | 36.9 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | | | trans | -86 | -178.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 104 | A | 34.1 | Very low | 36.3 | Very low | 86 Ų | 86 | 141 Ų | 141 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | | | cis | -162.6 | -179.3 | 20.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 105 | L | 34.5 | Very low | 36.4 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | trans | 75.3 | 100.4 | 158.4 | -58 | 179.5 | 0 | 0 | 0 | 120.6 | | |
| 106 | S | 32.3 | Very low | 36.1 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | | 39 | 113.3 | 121.4 | -51.9 | 0 | 0 | 0 | 0 | 121.9 | | |
| 107 | A | 33.7 | Very low | 36.6 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | | | | -167.1 | 150.5 | 119.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 108 | H | 32.9 | Very low | 37.1 | Very low | 171 Ų | 171 | 136.3 Ų | 136.3 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | | | trans | -79.2 | 147 | 165.3 | -82.6 | -115 | 0 | 0 | 0 | 110.5 | | |
| 109 | H | 35.9 | Very low | 36.5 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | | | | -171.4 | 130.9 | 121 | -102.6 | -72.4 | 0 | 0 | 0 | 110.9 | | |
| 110 | H | 36.4 | Very low | 36.5 | Very low | 175 Ų | 175 | 137.7 Ų | 137.7 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | | | trans | -80.3 | 128.1 | 169.3 | -85.5 | -92.3 | 0 | 0 | 0 | 110.2 | | |
| 111 | H | 39.6 | Very low | 36.6 | Very low | 183 Ų | 183 | 144.2 Ų | 144.2 | 85% | 0.847 | 82% | 0.817 | S | S | * | * | | | trans | -147.5 | 132.3 | 154.5 | -125 | -91.8 | 0 | 0 | 0 | 111.2 | | |
| 112 | N | 36 | Very low | 36.7 | Very low | 160 Ų | 160 | 147 Ų | 147 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | | | trans | -80.6 | 127.3 | 170.8 | -82.8 | -74.8 | 0 | 0 | 0 | 109.1 | | |
| 113 | A | 31.9 | Very low | 36.1 | Very low | 99 Ų | 99 | 142.5 Ų | 142.5 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -127.2 | 99.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 114 | W | 37.9 | Very low | 36 | Very low | 252 Ų | 252 | 144.2 Ų | 144.2 | 96% | 0.955 | 81% | 0.814 | S | S | * | * | | | trans | -127.9 | 67.5 | 175.3 | -133.6 | -22 | 0 | 0 | 0 | 110.8 | | |
| 115 | A | 39.2 | Very low | 36 | Very low | 98 Ų | 98 | 148 Ų | 148 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | | | trans | -144.4 | 109.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 116 | V | 35.6 | Very low | 36 | Very low | 132 Ų | 132 | 149 Ų | 149 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | | | trans | -144.3 | 135.5 | 172.9 | -97.8 | 0 | 0 | 0 | 0 | 106.3 | | |
| 117 | S | 43.1 | Very low | 36.8 | Very low | 89 Ų | 89 | 149.2 Ų | 149.2 | 62% | 0.622 | 82% | 0.815 | S | S | * | * | | | cis | -142.6 | -166.5 | -2.4 | -55.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 118 | P | 47.2 | Very low | 36.6 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | | | | -137.2 | 168.8 | 90.9 | 35.5 | -21.8 | 0 | 0 | 0 | 114.7 | | |
| 119 | F | 32.8 | Very low | 36.7 | Very low | 196 Ų | 196 | 145.4 Ų | 145.4 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | | | trans | -81.1 | 147.2 | -178 | -80.6 | -107.5 | 0 | 0 | 0 | 113.3 | | |
| 120 | S | 35.6 | Very low | 36.6 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | | | trans | -131.6 | 155.9 | 148.6 | -81.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 121 | K | 35.9 | Very low | 36.5 | Very low | 204 Ų | 204 | 138.4 Ų | 138.4 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | | | trans | -93.4 | 162.1 | -171.4 | -85.6 | -177.7 | 175.9 | -178.6 | 0 | 113.3 | | |
| 122 | P | 40.3 | Very low | 37.1 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | trans | -95 | 155.6 | -162.4 | 36.9 | -37 | 0 | 0 | 0 | 116 | | |
| 123 | S | 27.7 | Very low | 36.9 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | trans | -169.9 | 153 | 157.9 | -77.6 | 0 | 0 | 0 | 0 | 106.9 | | |
| 124 | L | 33.8 | Very low | 36.9 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 70% | 0.696 | 80% | 0.803 | S | S | * | * | | | cis | -154.8 | 165.4 | -16.6 | -103.1 | 161.6 | 0 | 0 | 0 | 104.5 | | |
| 125 | H | 33.6 | Very low | 36.8 | Very low | 165 Ų | 165 | 127.2 Ų | 127.2 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | | | | 176.1 | 155.7 | 76.8 | -90.4 | -82.2 | 0 | 0 | 0 | 110.5 | | |
| 126 | H | 34.6 | Very low | 36.5 | Very low | 181 Ų | 181 | 127.6 Ų | 127.6 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | | | trans | -92.8 | 159.2 | 154.7 | -97.1 | -106.1 | 0 | 0 | 0 | 110.3 | | |
| 127 | P | 48.3 | Very low | 36.4 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | | | trans | -89.8 | 140.2 | -175.8 | 34.3 | -34.5 | 0 | 0 | 0 | 114.9 | | |
| 128 | G | 30.4 | Very low | 35.9 | Very low | 72 Ų | 72 | 128.1 Ų | 128.1 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | | | trans | 77.5 | 114.7 | 138.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 129 | S | 34.8 | Very low | 35.2 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | | 171.6 | 162.1 | 110.1 | 47.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 130 | A | 33.9 | Very low | 36.1 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | trans | 70.3 | 138 | 169.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 131 | S | 34.4 | Very low | 35.7 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -120.5 | -167.5 | 176.9 | -44.4 | 0 | 0 | 0 | 0 | 108 | | |
| 132 | P | 51.7 | Low | 35.5 | Very low | 127 Ų | 127 | 123.1 Ų | 123.1 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | cis | -136.6 | 178.7 | -6.1 | 41.9 | -24.3 | 0 | 0 | 0 | 116 | | |
| 133 | G | 31.9 | Very low | 35.1 | Very low | 75 Ų | 75 | 122.8 Ų | 122.8 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | trans | 106.9 | 143.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 134 | A | 32.8 | Very low | 35.3 | Very low | 91 Ų | 91 | 125 Ų | 125 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | cis | -158.3 | 155.2 | -7.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 135 | L | 34.7 | Very low | 35.4 | Very low | 165 Ų | 165 | 123 Ų | 123 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | trans | 32 | 141.4 | 152.2 | -51.4 | 172.2 | 0 | 0 | 0 | 120.3 | | |
| 136 | S | 32.7 | Very low | 35.5 | Very low | 106 Ų | 106 | 122.8 Ų | 122.8 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | | | cis | -173.8 | 170.5 | -7.2 | -102.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 137 | A | 35 | Very low | 35.6 | Very low | 89 Ų | 89 | 119 Ų | 119 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | trans | -29.7 | 172.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 138 | V | 32.6 | Very low | 35.1 | Very low | 144 Ų | 144 | 117 Ų | 117 | 87% | 0.873 | 79% | 0.786 | S | S | * | * | | | cis | -151.7 | 160.4 | 31.4 | -152 | 0 | 0 | 0 | 0 | 113.8 | | |
| 139 | Y | 31.7 | Very low | 35.3 | Very low | 216 Ų | 216 | 120.5 Ų | 120.5 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | | | trans | -76.7 | -172.5 | 162.6 | -94.1 | -84.5 | 0 | 0 | 0 | 112.2 | | |
| 140 | P | 51.4 | Low | 35.4 | Very low | 104 Ų | 104 | 119.3 Ų | 119.3 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | | | cis | -137 | 174.9 | -15.8 | 27.6 | -4.1 | 0 | 0 | 0 | 117.1 | | |
| 141 | C | 28 | Very low | 35.6 | Very low | 117 Ų | 117 | 120 Ų | 120 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | 63.2 | 129.7 | 138.5 | -77.4 | 0 | 0 | 0 | 0 | 126 | | |
| 142 | S | 30.8 | Very low | 35.6 | Very low | 109 Ų | 109 | 119.3 Ų | 119.3 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | | 98.1 | 139.9 | 124.8 | -70.8 | 0 | 0 | 0 | 0 | 123.9 | | |
| 143 | S | 32.8 | Very low | 34.8 | Very low | 113 Ų | 113 | 121.1 Ų | 121.1 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | 81.2 | 93.9 | 146.2 | -62.9 | 0 | 0 | 0 | 0 | 123.1 | | |
| 144 | N | 31.3 | Very low | 35 | Very low | 158 Ų | 158 | 123.7 Ų | 123.7 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | | 61.5 | 142.8 | 113.5 | -126.4 | 36.7 | 0 | 0 | 0 | 124.5 | | |
| 145 | S | 37.3 | Very low | 36.2 | Very low | 91 Ų | 91 | 124.9 Ų | 124.9 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | | | trans | 92.5 | 109 | 144.6 | 71.1 | 0 | 0 | 0 | 0 | 123.7 | | |
| 146 | N | 35.2 | Very low | 36.9 | Very low | 160 Ų | 160 | 122.1 Ų | 122.1 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | | | | 66 | 145.5 | 124.1 | -63.4 | -1.2 | 0 | 0 | 0 | 125.6 | | |
| 147 | A | 37 | Very low | 37 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | | | trans | 76.7 | 148.3 | 150.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 148 | A | 36.9 | Very low | 36.8 | Very low | 79 Ų | 79 | 125.8 Ų | 125.8 | 65% | 0.653 | 78% | 0.78 | S | S | * | * | | | cis | -165.6 | 178.1 | -10.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 149 | T | 35.6 | Very low | 36.9 | Very low | 146 Ų | 146 | 125.2 Ų | 125.2 | 90% | 0.896 | 78% | 0.777 | S | S | * | * | | | trans | 68.6 | 152.8 | 154.7 | 42.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 150 | A | 35.1 | Very low | 37 | Very low | 97 Ų | 97 | 122.2 Ų | 122.2 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | | | cis | -146.9 | 173.8 | 2.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 151 | S | 37.9 | Very low | 36.3 | Very low | 114 Ų | 114 | 122.5 Ų | 122.5 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | -83.7 | -174.2 | 171.3 | -46.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 152 | S | 34.9 | Very low | 36.8 | Very low | 104 Ų | 104 | 125 Ų | 125 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | cis | -153 | 179 | 15.3 | -69.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 153 | L | 35.3 | Very low | 37.2 | Very low | 165 Ų | 165 | 127 Ų | 127 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | | -165.2 | -175.2 | 50.3 | -83 | 171.2 | 0 | 0 | 0 | 111.6 | | |
| 154 | T | 36.8 | Very low | 37.4 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | -132 | -166.9 | -175 | 61.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 155 | P | 56.3 | Low | 37.6 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | | | cis | -118.5 | -123.9 | -20.6 | 30 | -5.4 | 0 | 0 | 0 | 109 | | |
| 156 | P | 51.2 | Low | 37.8 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | | | cis | -134.3 | 169.1 | -33.8 | 38.4 | -19.9 | 0 | 0 | 0 | 117.7 | | |
| 157 | S | 33.3 | Very low | 38.5 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | 58.5 | 110.8 | 140.3 | -69.7 | 0 | 0 | 0 | 0 | 125.8 | | |
| 158 | Q | 32.2 | Very low | 39.1 | Very low | 170 Ų | 170 | 134.5 Ų | 134.5 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | | 118.2 | 141.1 | 105.5 | -91 | -165.9 | 39.8 | 0 | 0 | 123.4 | | |
| 159 | T | 34.2 | Very low | 39.4 | Very low | 132 Ų | 132 | 137 Ų | 137 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | | | trans | 87.2 | 160.7 | 162.7 | 65.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 160 | N | 32.9 | Very low | 39.8 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | trans | -115 | 155.6 | -159.8 | -64.5 | -69.6 | 0 | 0 | 0 | 113.1 | | |
| 161 | S | 36.6 | Very low | 40.5 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | | 152.5 | 144 | 103.6 | 61.8 | 0 | 0 | 0 | 0 | 117 | | |
| 162 | H | 39.4 | Very low | 40.4 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | | | trans | 58.1 | 122.6 | 145 | -94 | -129.2 | 0 | 0 | 0 | 124.9 | | |
| 163 | L | 39.7 | Very low | 40.5 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | 89.7 | 149.5 | 138.8 | -66.5 | 168.5 | 0 | 0 | 0 | 121.7 | | |
| 164 | Y | 36 | Very low | 40.6 | Very low | 213 Ų | 213 | 142.9 Ų | 142.9 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | -91.8 | 150.9 | -171.6 | -70.4 | -98.5 | 0 | 0 | 0 | 112.8 | | |
| 165 | T | 34.9 | Very low | 40.6 | Very low | 140 Ų | 140 | 141.8 Ų | 141.8 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | | | trans | -131.3 | 136.2 | 165.7 | -67.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 166 | F | 41.5 | Very low | 40.3 | Very low | 185 Ų | 185 | 142 Ų | 142 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | -106.6 | 150.1 | 167.3 | -86.1 | -90.8 | 0 | 0 | 0 | 110 | | |
| 167 | P | 50.4 | Low | 39.7 | Very low | 114 Ų | 114 | 144 Ų | 144 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 157.6 | -176.8 | 30.9 | -35.8 | 0 | 0 | 0 | 114.1 | | |
| 168 | P | 50.3 | Low | 40.5 | Very low | 129 Ų | 129 | 145.1 Ų | 145.1 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -87 | 172.3 | -168 | 35.4 | -38.2 | 0 | 0 | 0 | 115.7 | | |
| 169 | T | 43.7 | Very low | 40.6 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -103 | 155.3 | 176.5 | 49.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 170 | P | 43.5 | Very low | 40.9 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 162.6 | -176.6 | 31 | -36.7 | 0 | 0 | 0 | 114.6 | | |
| 171 | P | 48.8 | Very low | 40.9 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 84% | 0.844 | 81% | 0.813 | S | S | * | * | | | trans | -81.2 | -178.7 | -171.9 | 34.6 | -38.2 | 0 | 0 | 0 | 114.8 | | |
| 172 | K | 37.2 | Very low | 40.7 | Very low | 198 Ų | 198 | 140.6 Ų | 140.6 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | | | trans | -119.3 | 146.6 | 174.1 | -66.2 | 177.8 | 178 | 176.7 | 0 | 110.8 | | |
| 173 | D | 35.8 | Very low | 41.1 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | | | trans | -71.2 | 162.7 | 171.2 | -61.1 | -84 | 0 | 0 | 0 | 113.8 | | |
| 174 | V | 37.3 | Very low | 40.7 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | | | trans | -117.5 | 144.1 | -171.8 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 175 | S | 36.7 | Very low | 40.6 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | | | trans | -91.9 | 141.5 | 173.4 | -167.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 176 | P | 50.8 | Low | 40.4 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | trans | -88.5 | 154.5 | 167.4 | 35.7 | -33.2 | 0 | 0 | 0 | 112.3 | | |
| 177 | D | 37.7 | Very low | 39.9 | Very low | 149 Ų | 149 | 125.3 Ų | 125.3 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | | | trans | -154.8 | 138.1 | 166.8 | -175.2 | -54 | 0 | 0 | 0 | 106.3 | | |
| 178 | P | 51.8 | Low | 38.9 | Very low | 126 Ų | 126 | 124 Ų | 124 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -145.1 | 136.5 | 147.5 | 35.3 | -19.1 | 0 | 0 | 0 | 115.9 | | |
| 179 | G | 33.6 | Very low | 38 | Very low | 77 Ų | 77 | 121 Ų | 121 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | trans | 129.1 | 123.2 | 135.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 180 | A | 39.9 | Very low | 37.6 | Very low | 99 Ų | 99 | 125.4 Ų | 125.4 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -131.7 | 141.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 181 | I | 32.8 | Very low | 37.1 | Very low | 178 Ų | 178 | 127.6 Ų | 127.6 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | | | trans | -156.4 | 150.2 | 158.8 | 21.4 | 173.4 | 0 | 0 | 0 | 111.5 | | |
| 182 | S | 33.8 | Very low | 36.4 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | | | trans | -120.2 | 168.7 | 171.2 | -77 | 0 | 0 | 0 | 0 | 107.6 | | |
| 183 | P | 47 | Very low | 36.2 | Very low | 116 Ų | 116 | 127 Ų | 127 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | | | cis | -144.4 | -172.2 | 27.3 | 43 | -22.2 | 0 | 0 | 0 | 117.3 | | |
| 184 | S | 31 | Very low | 36.3 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | 8.4 | 138.8 | 147.8 | -52.8 | 0 | 0 | 0 | 0 | 119.3 | | |
| 185 | S | 34.6 | Very low | 36.1 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | cis | -172.4 | 161.4 | 25.3 | 36.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 186 | A | 31.2 | Very low | 35.7 | Very low | 103 Ų | 103 | 126.3 Ų | 126.3 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | | | trans | 61.3 | 140.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 187 | A | 29.2 | Very low | 35.1 | Very low | 96 Ų | 96 | 128 Ų | 128 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | | | cis | -157.6 | 177.7 | 16.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 188 | A | 30.9 | Very low | 34.7 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | | | trans | 77.4 | 94.5 | 153 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 189 | A | 31.5 | Very low | 33.6 | Very low | 64 Ų | 64 | 134 Ų | 134 | 53% | 0.529 | 77% | 0.773 | S | S | . | * | | | trans | 66.2 | 133 | 147 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 190 | R | 34.5 | Very low | 33.2 | Very low | 225 Ų | 225 | 138 Ų | 138 | 85% | 0.849 | 77% | 0.772 | S | S | * | * | | | cis | -129.9 | 170.1 | 44.1 | -41.1 | -63.7 | 121.8 | 150 | -2.3 | 114.1 | | |
| 191 | M | 32.9 | Very low | 32.6 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | | | trans | -83.8 | 147 | -177.5 | -26.8 | -51.5 | -176.6 | 0 | 0 | 110.4 | | |
| 192 | D | 34.9 | Very low | 32.5 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | | | | 79.9 | 141.2 | 59 | -139.8 | -138.9 | 0 | 0 | 0 | 112.4 | | |
| 193 | E | 32.3 | Very low | 32.3 | Very low | 165 Ų | 165 | 138.3 Ų | 138.3 | 77% | 0.771 | 76% | 0.757 | S | S | * | * | | | cis | -145.8 | -166.6 | 2.6 | -153.1 | -154.4 | 158.2 | 0 | 0 | 110.4 | | |
| 194 | K | 37.1 | Very low | 32.5 | Very low | 159 Ų | 159 | 138 Ų | 138 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | | | trans | -147.4 | 136 | 173 | -172.3 | -138.7 | -177.3 | -157.7 | 0 | 112.2 | | |
| 195 | E | 35 | Very low | 32.5 | Very low | 142 Ų | 142 | 139 Ų | 139 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | | | trans | 102.5 | 162.5 | 155.3 | -150.4 | 150.3 | 120.3 | 0 | 0 | 118.8 | | |
| 196 | S | 28.2 | Very low | 32.4 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | | | trans | 93.5 | 74.1 | 166.3 | -51.1 | 0 | 0 | 0 | 0 | 121.8 | | |
| 197 | I | 36.7 | Very low | 32.6 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 80% | 0.795 | 74% | 0.742 | S | S | * | * | | | | 44.9 | 112.2 | 121.9 | -52.8 | 158.2 | 0 | 0 | 0 | 119.8 | | |
| 198 | K | 30.4 | Very low | 32.7 | Very low | 196 Ų | 196 | 145.8 Ų | 145.8 | 85% | 0.852 | 75% | 0.746 | S | S | * | * | | | trans | -167 | 121.8 | 132.8 | -119 | 176.6 | 177.8 | 178.2 | 0 | 116.6 | | |
| 199 | Y | 28.3 | Very low | 32.8 | Very low | 203 Ų | 203 | 148.5 Ų | 148.5 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | | | trans | 35.9 | 125.1 | 134.8 | -81.3 | -95.1 | 0 | 0 | 0 | 124.1 | | |
| 200 | Q | 25.3 | Very low | 32.7 | Very low | 162 Ų | 162 | 151.8 Ų | 151.8 | 76% | 0.757 | 75% | 0.75 | S | S | * | * | | | | 117.8 | 114.5 | 119.6 | -153.6 | 164.2 | -23.4 | 0 | 0 | 120.8 | | |
| 201 | L | 27.2 | Very low | 32.4 | Very low | 149 Ų | 149 | 148.6 Ų | 148.6 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | | | trans | 39.4 | 152 | 150.6 | -78.5 | 87 | 0 | 0 | 0 | 122 | | |
| 202 | S | 30.8 | Very low | 32.2 | Very low | 88 Ų | 88 | 145 Ų | 145 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | | | cis | -175.5 | 139 | -16.5 | -100.5 | 0 | 0 | 0 | 0 | 112 | | |
| 203 | L | 30.2 | Very low | 31.9 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 85% | 0.848 | 74% | 0.74 | S | S | * | * | | | trans | 50.6 | 167.3 | 146.6 | -70.8 | 170.2 | 0 | 0 | 0 | 121.4 | | |
| 204 | P | 51.3 | Low | 33.2 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | | | cis | -112.2 | -157 | -18.6 | 40 | -23.4 | 0 | 0 | 0 | 109.9 | | |
| 205 | D | 29.8 | Very low | 33 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | | | cis | -155.9 | 148.6 | 3.9 | -166.4 | -111.3 | 0 | 0 | 0 | 111.3 | | |
| 206 | S | 32 | Very low | 32.9 | Very low | 85 Ų | 85 | 145.4 Ų | 145.4 | 59% | 0.594 | 76% | 0.757 | S | S | * | * | | | trans | 53.9 | 170.4 | 160.4 | -70.5 | 0 | 0 | 0 | 0 | 120 | | |
| 207 | M | 36.5 | Very low | 33 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 83% | 0.833 | 75% | 0.751 | S | S | * | * | | | cis | -161.2 | 154.6 | -47.1 | 68.2 | 173.6 | 73.7 | 0 | 0 | 106.9 | | |
| 208 | K | 31.2 | Very low | 32.7 | Very low | 200 Ų | 200 | 142.1 Ų | 142.1 | 87% | 0.87 | 75% | 0.748 | S | S | * | * | | | cis | -152.5 | 160.8 | -16.7 | 165.7 | 177.6 | 174.8 | -170.1 | 0 | 106.5 | | |
| 209 | M | 33.9 | Very low | 33 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 70% | 0.704 | 75% | 0.747 | S | S | * | * | | | trans | -137 | 179.8 | -177.1 | 58.9 | -172.3 | -84.4 | 0 | 0 | 115 | | |
| 210 | E | 27.8 | Very low | 33.4 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 63% | 0.626 | 74% | 0.742 | S | S | * | * | | | trans | 71.8 | 140.9 | 173.2 | -64.6 | 179 | 75.7 | 0 | 0 | 117.8 | S212 | E210-S212 PolarHBondContact OE1-OG 3.19Š|
| 211 | D | 28.7 | Very low | 33.8 | Very low | 157 Ų | 157 | 132 Ų | 132 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | | | cis | 77.1 | -178.4 | 21 | -149.2 | -8.9 | 0 | 0 | 0 | 114.9 | | |
| 212 | S | 28.2 | Very low | 34.2 | Very low | 87 Ų | 87 | 132.8 Ų | 132.8 | 61% | 0.608 | 74% | 0.743 | S | S | * | * | | | trans | 86.3 | 153 | 178.7 | -72 | 0 | 0 | 0 | 0 | 117.6 | E210 | E210-S212 PolarHBondContact OE1-OG 3.19Š|
| 213 | S | 28.1 | Very low | 34.2 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | | | trans | -120.9 | -119.9 | -161.1 | -70.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 214 | P | 60.9 | Low | 34.2 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | trans | -126.7 | -177.3 | -132.7 | 35.6 | -14.4 | 0 | 0 | 0 | 117.3 | | |
| 215 | L | 33.5 | Very low | 33.3 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | | | trans | 119.4 | 173.9 | 154.2 | -58.8 | -180 | 0 | 0 | 0 | 117.9 | | |
| 216 | R | 31.4 | Very low | 33.4 | Very low | 230 Ų | 230 | 134.8 Ų | 134.8 | 87% | 0.868 | 76% | 0.761 | S | S | * | * | | | trans | -95 | 178.8 | -169.2 | -49.6 | 171.6 | 64.3 | -175.7 | 2.1 | 110.5 | | |
| 217 | S | 30.1 | Very low | 33.8 | Very low | 81 Ų | 81 | 136.9 Ų | 136.9 | 57% | 0.566 | 77% | 0.772 | S | S | * | * | | | cis | -174.3 | 162.9 | 22.3 | -160.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 218 | S | 31.7 | Very low | 33.6 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | 73.9 | 157.6 | 153.6 | -47.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 219 | L | 36.9 | Very low | 33.6 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | | | cis | -159.4 | 160.1 | -2.5 | -153.1 | 77.2 | 0 | 0 | 0 | 112.3 | | |
| 220 | A | 35 | Very low | 33.5 | Very low | 83 Ų | 83 | 131.7 Ų | 131.7 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | | | trans | 61.7 | 147.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 221 | S | 34.3 | Very low | 33.9 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | cis | 88.8 | 144.6 | 20.9 | -50 | 0 | 0 | 0 | 0 | 115.3 | | |
| 222 | M | 35.4 | Very low | 34.6 | Very low | 164 Ų | 164 | 130 Ų | 130 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | | | cis | -151.4 | 162.6 | 21.5 | -56.6 | -87.7 | -162.6 | 0 | 0 | 113.8 | | |
| 223 | S | 30.8 | Very low | 35 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | trans | 55.8 | 159.9 | 144.7 | 59.8 | 0 | 0 | 0 | 0 | 123.4 | | |
| 224 | A | 31.4 | Very low | 35.7 | Very low | 83 Ų | 83 | 132.9 Ų | 132.9 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | | | cis | 179.9 | 150.9 | -28.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 225 | Q | 31.5 | Very low | 34.6 | Very low | 200 Ų | 200 | 133.1 Ų | 133.1 | 94% | 0.935 | 77% | 0.769 | S | S | * | * | | | trans | 163 | 172.4 | 131.7 | -88.6 | 176.2 | 96.2 | 0 | 0 | 114.6 | | |
| 226 | T | 32.7 | Very low | 34.4 | Very low | 132 Ų | 132 | 136 Ų | 136 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | | | trans | -105.3 | 170.4 | -160.6 | 59.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 227 | P | 39.3 | Very low | 34.7 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | | | | -141.1 | -178.6 | 88.6 | 36.6 | -19.2 | 0 | 0 | 0 | 115.4 | | |
| 228 | S | 33.5 | Very low | 35.7 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -70.4 | 159.7 | -170.8 | -48 | 0 | 0 | 0 | 0 | 116.8 | | |
| 229 | T | 31.1 | Very low | 35.7 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | | | | 178.5 | 124.5 | 114.7 | -74.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 230 | H | 32.1 | Very low | 35.7 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | | | trans | 48.7 | 163.8 | 157.3 | -101.5 | -140 | 0 | 0 | 0 | 124.5 | | |
| 231 | H | 35.3 | Very low | 35.8 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 64% | 0.644 | 77% | 0.77 | S | S | * | * | | | trans | -89.6 | 177.6 | -177.8 | 52.1 | -120.9 | 0 | 0 | 0 | 111.8 | | |
| 232 | P | 42.7 | Very low | 35.6 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | | | cis | -144.1 | -171.2 | 25 | 43.2 | -21.5 | 0 | 0 | 0 | 118.3 | | |
| 233 | I | 38.3 | Very low | 35.8 | Very low | 149 Ų | 149 | 134 Ų | 134 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | | | trans | -94.3 | 137.6 | 176.7 | -56.6 | 166.1 | 0 | 0 | 0 | 110.7 | | |
| 234 | P | 41.1 | Very low | 36.1 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | trans | -128.8 | 134.7 | 133 | 34 | -23.5 | 0 | 0 | 0 | 110.1 | | |
| 235 | T | 38.4 | Very low | 36.3 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | | | cis | 67 | 90.2 | 37.7 | -49.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 236 | Y | 30.4 | Very low | 36.3 | Very low | 227 Ų | 227 | 132.4 Ų | 132.4 | 89% | 0.89 | 74% | 0.739 | S | S | * | * | | | | -145.3 | 162.1 | 128.8 | -142.7 | -97.6 | 0 | 0 | 0 | 111.1 | | |
| 237 | A | 37.5 | Very low | 36.4 | Very low | 78 Ų | 78 | 136.7 Ų | 136.7 | 65% | 0.645 | 74% | 0.742 | S | S | * | * | | | trans | -139.1 | -132.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 238 | P | 50.6 | Low | 36 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | | | | -118.4 | -176.5 | -100.3 | 36.2 | -22 | 0 | 0 | 0 | 113.6 | | |
| 239 | Y | 32.1 | Very low | 36.5 | Very low | 239 Ų | 239 | 132.9 Ų | 132.9 | 94% | 0.937 | 74% | 0.744 | S | S | * | * | | | trans | -117.7 | 125.9 | 156.9 | -85.8 | -79.4 | 0 | 0 | 0 | 111.6 | | |
| 240 | S | 37.1 | Very low | 36.7 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | | | trans | -100 | 179.4 | 167.6 | -56.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 241 | L | 35.4 | Very low | 37.1 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | | | cis | -143.5 | -172.3 | 24.9 | -85.6 | 161.3 | 0 | 0 | 0 | 108.6 | | |
| 242 | Q | 31.4 | Very low | 37.3 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | | | cis | -149 | 123.6 | 15.5 | -172 | 78.2 | 15.1 | 0 | 0 | 105.7 | | |
| 243 | A | 38.5 | Very low | 37 | Very low | 77 Ų | 77 | 137.7 Ų | 137.7 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | | | | 69.8 | 149.3 | 68.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 244 | A | 38.8 | Very low | 37.4 | Very low | 65 Ų | 65 | 136.1 Ų | 136.1 | 54% | 0.537 | 76% | 0.76 | S | S | . | * | | | cis | -163.3 | 178.7 | 16.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 245 | H | 35 | Very low | 37.1 | Very low | 172 Ų | 172 | 134.1 Ų | 134.1 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | | | trans | 75.5 | 136.1 | 155.3 | -58 | -53.4 | 0 | 0 | 0 | 119.1 | | |
| 246 | D | 31.2 | Very low | 36.9 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | cis | -149.4 | -172.3 | -5 | -143.1 | -102.5 | 0 | 0 | 0 | 115.9 | | |
| 247 | Y | 34.6 | Very low | 37.6 | Very low | 223 Ų | 223 | 130.4 Ų | 130.4 | 88% | 0.875 | 76% | 0.759 | S | S | * | * | | | trans | -81 | 168.7 | -164.4 | -101.8 | -114.7 | 0 | 0 | 0 | 116.1 | | |
| 248 | G | 31 | Very low | 37.8 | Very low | 77 Ų | 77 | 135 Ų | 135 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | trans | 139.4 | 111.2 | 140 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 249 | G | 44.9 | Very low | 36.8 | Very low | 82 Ų | 82 | 133.7 Ų | 133.7 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | | | trans | -134.2 | 118 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 250 | S | 34.6 | Very low | 37 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | trans | -159.7 | 138.8 | 171.5 | -163.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 251 | L | 40.7 | Very low | 37.3 | Very low | 156 Ų | 156 | 129.3 Ų | 129.3 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | | | trans | 33.3 | 137.4 | 149.1 | -60.2 | 172.4 | 0 | 0 | 0 | 122.1 | | |
| 252 | F | 38.6 | Very low | 37.8 | Very low | 194 Ų | 194 | 127.9 Ų | 127.9 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -48 | 145.9 | 165.9 | -56.1 | -100.2 | 0 | 0 | 0 | 113.9 | | |
| 253 | H | 37.2 | Very low | 38 | Very low | 191 Ų | 191 | 124 Ų | 124 | 88% | 0.884 | 78% | 0.78 | S | S | * | * | | | trans | -150 | 161.7 | 137.2 | -104.2 | 75.3 | 0 | 0 | 0 | 109.8 | | |
| 254 | P | 46 | Very low | 38 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | trans | -108 | 155 | -161 | 38.8 | -32.7 | 0 | 0 | 0 | 115.7 | | |
| 255 | G | 34.4 | Very low | 38.1 | Very low | 70 Ų | 70 | 131.8 Ų | 131.8 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | | | trans | 96.7 | 131 | 145.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 256 | S | 34 | Very low | 38.5 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | 91 | 139.8 | 170.8 | -46.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 257 | L | 45.3 | Very low | 38.8 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | | | cis | -159.5 | 158 | -15.5 | -113.1 | 174.8 | 0 | 0 | 0 | 108.4 | | |
| 258 | L | 41.6 | Very low | 39.3 | Very low | 176 Ų | 176 | 128.4 Ų | 128.4 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | | | trans | 68.6 | 150.1 | 173.7 | -54.6 | 151.1 | 0 | 0 | 0 | 116.4 | | |
| 259 | G | 30.6 | Very low | 39.5 | Very low | 72 Ų | 72 | 134.3 Ų | 134.3 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | | | trans | 133.4 | 64.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 260 | S | 37 | Very low | 39.3 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | 53.9 | 96.3 | 144 | -55.3 | 0 | 0 | 0 | 0 | 121.4 | | |
| 261 | S | 43.4 | Very low | 39.8 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 129.6 | 159.7 | -59.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 262 | P | 44.7 | Very low | 39.7 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 116.8 | 164 | 32.1 | -29.7 | 0 | 0 | 0 | 110.9 | F264 | P262-F264 PolarHBondContact O-N 3.26Š|
| 263 | G | 35 | Very low | 40.1 | Very low | 66 Ų | 66 | 138.3 Ų | 138.3 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 131.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T265 | G263-T265 VanDerWaalsContact C-N 3.33Å; G263-T265 PolarHBondContact O-N 3.33Å |
| 264 | F | 39.2 | Very low | 40.4 | Very low | 212 Ų | 212 | 134.7 Ų | 134.7 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | | | trans | -70.6 | 83.9 | 174.6 | -110.4 | -95.2 | 0 | 0 | 0 | 111.5 | P262 H266 | P262-F264 PolarHBondContact O-N 3.26Å; F264-H266 PolarHBondContact O-N 3.4Å; F264-H266 VanDerWaalsContact O-N 3.1Å |
| 265 | T | 42 | Very low | 40.5 | Very low | 92 Ų | 92 | 133.5 Ų | 133.5 | 56% | 0.564 | 79% | 0.785 | S | S | * | * | | | trans | -60.7 | 113.2 | 169.4 | 31 | 0 | 0 | 0 | 0 | 109.8 | G263 K267 | G263-T265 VanDerWaalsContact C-N 3.33Å; G263-T265 PolarHBondContact O-N 3.33Å; T265-K267 WeakPolarHBondContact O-CD 3.11Å; T265-K267 VanDerWaalsContact O-CE 3.24Å; T265-K267 WeakPolarHBondContact O-CE 3.22Å; T265-K267 PolarHBondContact O-N 3.4Å; T265-K267 PolarHBondContact OG1-NZ 3.46Å |
| 266 | H | 43 | Very low | 41.5 | Very low | 187 Ų | 187 | 134 Ų | 134 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | | | trans | -78.5 | 58 | -172.4 | -154.6 | -90.7 | 0 | 0 | 0 | 112.3 | F264 S268 | F264-H266 PolarHBondContact O-N 3.4Å; F264-H266 VanDerWaalsContact O-N 3.1Å; H266-S268 PolarHBondContact O-N 3.37Å |
| 267 | K | 36.7 | Very low | 42.9 | Very low | 157 Ų | 157 | 137 Ų | 137 | 68% | 0.683 | 78% | 0.775 | S | S | * | * | | | trans | -53.9 | 128.1 | 174.4 | 31.2 | -106.4 | 172.8 | -179.4 | 0 | 110.1 | T265 K269 | T265-K267 WeakPolarHBondContact O-CD 3.11Å; T265-K267 VanDerWaalsContact O-CE 3.24Å; T265-K267 WeakPolarHBondContact O-CE 3.22Å; T265-K267 PolarHBondContact O-N 3.4Å; T265-K267 PolarHBondContact OG1-NZ 3.46Å; K267-K269 PolarHBondContact O-N 3.43Å |
| 268 | S | 45.1 | Very low | 44.4 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | | | trans | -58.2 | 97 | 178.1 | 39.2 | 0 | 0 | 0 | 0 | 110.2 | H266 S270 | H266-S268 PolarHBondContact O-N 3.37Å; S268-S270 VanDerWaalsContact C-N 3.3Å; S268-S270 PolarHBondContact O-N 3.33Å |
| 269 | K | 34.7 | Very low | 46.7 | Very low | 202 Ų | 202 | 128.6 Ų | 128.6 | 88% | 0.878 | 74% | 0.744 | S | S | * | * | | | trans | -75.2 | 84.1 | -173.9 | -165.3 | 164.8 | -172.7 | 170.8 | 0 | 110.1 | K267 K271 | K267-K269 PolarHBondContact O-N 3.43Å; K269-K271 PolarHBondContact O-N 2.99Å |
| 270 | S | 41.3 | Very low | 49.7 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 78% | 0.783 | 72% | 0.721 | S | S | * | * | | | trans | -37.9 | 106.1 | 173.2 | -64.2 | 0 | 0 | 0 | 0 | 110.4 | S268 A272 | S268-S270 VanDerWaalsContact C-N 3.3Å; S268-S270 PolarHBondContact O-N 3.33Å; S270-A272 PolarHBondContact O-N 3.04Å |
| 271 | K | 44.7 | Very low | 52.4 | Low | 199 Ų | 199 | 122.1 Ų | 122.1 | 87% | 0.865 | 68% | 0.68 | S | S | * | * | | | trans | -59.4 | 117.7 | -164.4 | -167.1 | 164.1 | -175 | 169.1 | 0 | 109.5 | K269 R273 | K269-K271 PolarHBondContact O-N 2.99Å; K271-R273 PolarHBondContact O-N 3.24Å |
| 272 | A | 39.5 | Very low | 54.7 | Low | 86 Ų | 86 | 120 Ų | 120 | 71% | 0.711 | 66% | 0.662 | S | S | * | * | | | trans | -60.3 | 109.3 | -158.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S270 S274 | S270-A272 PolarHBondContact O-N 3.04Å; A272-S274 PolarHBondContact O-N 3.43Å |
| 273 | R | 46.2 | Very low | 56.9 | Low | 225 Ų | 225 | 115.5 Ų | 115.5 | 85% | 0.849 | 63% | 0.632 | S | S | * | * | | | trans | -75.4 | 1.9 | 167 | -58.5 | -163.5 | -165.4 | -176 | 7.9 | 112.9 | K271 C275 T276 | K271-R273 PolarHBondContact O-N 3.24Å; R273-C275 PolarHBondContact O-N 3.21Å; R273-T276 PolarHBondContact O-OG1 2.93Å |
| 274 | S | 45.1 | Very low | 59.6 | Low | 116 Ų | 116 | 113.7 Ų | 113.7 | 81% | 0.811 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 45.3 | -172.7 | -151.9 | 0 | 0 | 0 | 0 | 114.3 | A272 | A272-S274 PolarHBondContact O-N 3.43Š|
| 275 | C | 48 | Very low | 62 | Low | 90 Ų | 90 | 104.6 Ų | 104.6 | 61% | 0.608 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.2 | 1.7 | 175.1 | -152.7 | 0 | 0 | 0 | 0 | 114.4 | R273 R279 | R273-C275 PolarHBondContact O-N 3.21Å; C275-R279 PolarHBondContact O-NE 3.39Å; C275-R279 PolarHBondContact O-NH2 3.14Å |
| 276 | T | 54.7 | Low | 64.3 | Low | 81 Ų | 81 | 101.7 Ų | 101.7 | 50% | 0.497 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -83 | -28 | 170.1 | 45.1 | 0 | 0 | 0 | 0 | 112.3 | R273 G278 R279 | R273-T276 PolarHBondContact O-OG1 2.93Å; T276-G278 PolarHBondContact O-N 3.45Å; T276-G278 VanDerWaalsContact O-N 3.17Å; T276-R279 PolarHBondContact O-N 3.28Å |
| 277 | E | 63.7 | Low | 66.6 | Low | 180 Ų | 180 | 97.4 Ų | 97.4 | 84% | 0.841 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 110.7 | 179.7 | -147.8 | 59.9 | -112.8 | 0 | 0 | 110.8 | | |
| 278 | G | 76.9 | Confident | 69.2 | Low | 74 Ų | 74 | 94.4 Ų | 94.4 | 76% | 0.763 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.5 | -7.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | T276 E280 | T276-G278 PolarHBondContact O-N 3.45Å; T276-G278 VanDerWaalsContact O-N 3.17Å; G278-E280 PolarHBondContact O-N 2.96Å |
| 279 | R | 89.9 | Confident | 71.5 | Confident | 75 Ų | 75 | 90.5 Ų | 90.5 | 28% | 0.283 | 52% | 0.517 | S | S | . | . | | | trans | -81.1 | 105 | 168.1 | -77.8 | -179.5 | -101.2 | -166.6 | -7.5 | 109.9 | C275 T276 T287 W292 Y300 | C275-R279 PolarHBondContact O-NE 3.39Å; C275-R279 PolarHBondContact O-NH2 3.14Å; T276-R279 PolarHBondContact O-N 3.28Å; R279-T287 WeakPolarHBondContact O-CA 3.34Å; R279-W292 HydrophobicContact CB-CH2 3.93Å; R279-W292 HydrophobicContact CB-CZ2 3.6Å; R279-W292 WeakPolarHBondContact O-CH2 3.44Å; R279-W292 VanDerWaalsContact O-CZ2 3.26Å; R279-W292 WeakPolarHBondContact O-CZ2 3.45Å; R279-Y300 HydrophobicContact CG-CD2 4.38Å; R279-Y300 HydrophobicContact CG-CE2 4.34Å; R279-Y300 HydrophobicContact CG-CG 4.49Å |
| 280 | E | 93.2 | Very high | 74.2 | Confident | 57 Ų | 57 | 86.9 Ų | 86.9 | 27% | 0.266 | 51% | 0.514 | S | S | . | . | | | trans | -103.2 | 142.9 | 164.3 | 83.6 | 163.8 | 121.7 | 0 | 0 | 111.3 | G278 V282 G285 T287 K322 R324 | G278-E280 PolarHBondContact O-N 2.96Å; E280-V282 PolarHBondContact O-N 3.42Å; E280-G285 VanDerWaalsContact OE2-CA 3.3Å; E280-G285 WeakPolarHBondContact OE2-CA 3.43Å; E280-T287 HydrophobicContact CB-CG2 4.32Å; E280-K322 IonicContact OE2-NZ 3.69Å; E280-K322 PolarHBondContact OE2-NZ 3.35Å; E280-R324 IonicContact OE1-CZ 2.73Å; E280-R324 IonicContact OE1-NE 2.69Å; E280-R324 IonicContact OE1-NH2 3.66Å; E280-R324 PolarHBondContact OE1-NH2 3.3Å |
| 281 | C | 93.7 | Very high | 76.8 | Confident | 0 Ų | 0 | 85.6 Ų | 85.6 | 0% | 0 | 50% | 0.498 | C | S | . | . | | | trans | -66.4 | 124.8 | 170.7 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | N283 C284 G285 A286 W292 Y300 C302 | C281-N283 VanDerWaalsContact C-N 3.27Å; C281-N283 PolarHBondContact O-N 3.21Å; C281-C284 VanDerWaalsContact SG-SG 3.64Å; C281-G285 VanDerWaalsContact O-CA 3.26Å; C281-G285 WeakPolarHBondContact O-CA 3.42Å; C281-G285 PolarHBondContact O-N 2.98Å; C281-A286 HydrophobicContact CB-CB 4.49Å; C281-A286 PolarHBondContact N-O 3.19Å; C281-W292 HydrophobicContact CB-CZ3 4.17Å; C281-Y300 WeakPolarHBondContact CA-O 3.48Å; C281-C302 HydrophobicContact CB-CB 4Å; C281-C302 PolarHBondContact SG-N 3.08Å |
| 282 | V | 92.5 | Very high | 79.2 | Confident | 79 Ų | 79 | 79 Ų | 79 | 48% | 0.479 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -32.4 | -176.1 | -61.5 | 0 | 0 | 0 | 0 | 113.7 | E280 H299 Y300 L301 | E280-V282 PolarHBondContact O-N 3.42Å; V282-H299 HydrophobicContact CG1-CB 4.02Å; V282-H299 HydrophobicContact CG2-CB 3.88Å; V282-Y300 PolarHBondContact N-O 2.66Å; V282-L301 HydrophobicContact CG2-CD2 3.68Å |
| 283 | N | 91 | Very high | 81.8 | Confident | 24 Ų | 24 | 79.1 Ų | 79.1 | 13% | 0.128 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -64.4 | 175.7 | 174.4 | -77.7 | 0 | 0 | 0 | 111.5 | C281 L301 C305 N315 R316 L318 | C281-N283 VanDerWaalsContact C-N 3.27Å; C281-N283 PolarHBondContact O-N 3.21Å; N283-L301 HydrophobicContact CB-CD2 3.98Å; N283-C305 HydrophobicContact CB-CB 4.11Å; N283-C305 PolarHBondContact OD1-SG 3.38Å; N283-N315 WeakPolarHBondContact ND2-CB 3.46Å; N283-N315 PolarHBondContact ND2-OD1 3.29Å; N283-R316 PolarHBondContact ND2-N 3.02Å; N283-L318 WeakPolarHBondContact OD1-CD1 3.47Å |
| 284 | C | 90.3 | Very high | 84.2 | Confident | 28 Ų | 28 | 75.4 Ų | 75.4 | 19% | 0.189 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -22.2 | -168.9 | 72.2 | 0 | 0 | 0 | 0 | 115.4 | C281 A286 C305 L318 | C281-C284 VanDerWaalsContact SG-SG 3.64Å; C284-A286 VanDerWaalsContact SG-CB 3.6Å; C284-A286 PolarHBondContact SG-N 3.25Å; C284-A286 VanDerWaalsContact SG-N 3.42Å; C284-C305 VanDerWaalsContact SG-SG 3.66Å; C284-L318 HydrophobicContact CB-CD1 4.02Å; C284-L318 HydrophobicContact CB-CD2 4.14Å; C284-L318 HydrophobicContact CB-CG 4.45Å |
| 285 | G | 89.3 | Confident | 86.4 | Confident | 20 Ų | 20 | 71.8 Ų | 71.8 | 21% | 0.206 | 41% | 0.407 | C | S | . | . | | | trans | 82.6 | 11.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | E280 C281 T287 K322 | E280-G285 VanDerWaalsContact OE2-CA 3.3Å; E280-G285 WeakPolarHBondContact OE2-CA 3.43Å; C281-G285 VanDerWaalsContact O-CA 3.26Å; C281-G285 WeakPolarHBondContact O-CA 3.42Å; C281-G285 PolarHBondContact O-N 2.98Å; G285-T287 PolarHBondContact O-N 2.95Å; G285-K322 VanDerWaalsContact N-NZ 3.16Å |
| 286 | A | 90.8 | Very high | 88.3 | Confident | 31 Ų | 31 | 73.8 Ų | 73.8 | 26% | 0.256 | 42% | 0.422 | S | S | . | . | | | trans | -58.6 | 124.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | C281 C284 S288 W292 C302 | C281-A286 HydrophobicContact CB-CB 4.49Å; C281-A286 PolarHBondContact N-O 3.19Å; C284-A286 VanDerWaalsContact SG-CB 3.6Å; C284-A286 PolarHBondContact SG-N 3.25Å; C284-A286 VanDerWaalsContact SG-N 3.42Å; A286-S288 WeakPolarHBondContact CB-O 3.34Å; A286-W292 WeakPolarHBondContact O-CH2 3.3Å; A286-C302 HydrophobicContact CB-CB 4.29Å |
| 287 | T | 92.3 | Very high | 90.2 | Very high | 97 Ų | 97 | 74.7 Ų | 74.7 | 60% | 0.595 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -88.8 | -17.1 | 174.3 | 48.6 | 0 | 0 | 0 | 0 | 112.3 | R279 E280 G285 | R279-T287 WeakPolarHBondContact O-CA 3.34Å; E280-T287 HydrophobicContact CB-CG2 4.32Å; G285-T287 PolarHBondContact O-N 2.95Å |
| 288 | S | 90.6 | Very high | 91.5 | Very high | 95 Ų | 95 | 67.6 Ų | 67.6 | 66% | 0.664 | 40% | 0.403 | S | S | * | . | | | trans | -119.2 | 149.3 | 170.5 | 59.7 | 0 | 0 | 0 | 0 | 110.5 | A286 | A286-S288 WeakPolarHBondContact CB-O 3.34Š|
| 289 | T | 93 | Very high | 92.3 | Very high | 30 Ų | 30 | 68.3 Ų | 68.3 | 18% | 0.184 | 39% | 0.386 | C | S | . | . | | | trans | -164.6 | 143.3 | 178.6 | 175.4 | 0 | 0 | 0 | 0 | 108.5 | L291 W292 C302 N303 | T289-L291 VanDerWaalsContact CG2-O 3.27Å; T289-L291 WeakPolarHBondContact CG2-O 3.28Å; T289-L291 PolarHBondContact O-N 3.3Å; T289-L291 PolarHBondContact OG1-N 3.32Å; T289-L291 PolarHBondContact OG1-O 2.96Å; T289-W292 HydrophobicContact CG2-CD2 3.35Å; T289-W292 HydrophobicContact CG2-CE3 3.75Å; T289-W292 HydrophobicContact CG2-CG 3.73Å; T289-W292 HydrophobicContact CG2-CH2 4.08Å; T289-W292 HydrophobicContact CG2-CZ2 3.73Å; T289-W292 HydrophobicContact CG2-CZ3 4.1Å; T289-C302 HydrophobicContact CG2-CB 4.12Å; T289-C302 WeakPolarHBondContact OG1-CA 3.38Å; T289-C302 WeakPolarHBondContact OG1-CB 3.37Å; T289-N303 PolarHBondContact OG1-N 3.45Å |
| 290 | P | 92.7 | Very high | 92.5 | Very high | 125 Ų | 125 | 68.5 Ų | 68.5 | 81% | 0.812 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -64.5 | -25.7 | 177.4 | 25.9 | -35.1 | 0 | 0 | 0 | 112.6 | N303 | P290-N303 HydrophobicContact CG-CB 4.31Š|
| 291 | L | 94.4 | Very high | 92.6 | Very high | 86 Ų | 86 | 66.3 Ų | 66.3 | 45% | 0.45 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -143.1 | 135.8 | 171.9 | 179.8 | 62.5 | 0 | 0 | 0 | 110.1 | T289 N303 | T289-L291 VanDerWaalsContact CG2-O 3.27Å; T289-L291 WeakPolarHBondContact CG2-O 3.28Å; T289-L291 PolarHBondContact O-N 3.3Å; T289-L291 PolarHBondContact OG1-N 3.32Å; T289-L291 PolarHBondContact OG1-O 2.96Å; L291-N303 HydrophobicContact CB-CB 4.14Å; L291-N303 PolarHBondContact O-N 3.09Å; L291-N303 VanDerWaalsContact O-N 3.09Å |
| 292 | W | 95.5 | Very high | 92.7 | Very high | 61 Ų | 61 | 66.8 Ų | 66.8 | 23% | 0.231 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 132.3 | 166.7 | -75.8 | 106.4 | 0 | 0 | 0 | 109.7 | R279 C281 A286 T289 Y300 | R279-W292 HydrophobicContact CB-CH2 3.93Å; R279-W292 HydrophobicContact CB-CZ2 3.6Å; R279-W292 WeakPolarHBondContact O-CH2 3.44Å; R279-W292 VanDerWaalsContact O-CZ2 3.26Å; R279-W292 WeakPolarHBondContact O-CZ2 3.45Å; C281-W292 HydrophobicContact CB-CZ3 4.17Å; A286-W292 WeakPolarHBondContact O-CH2 3.3Å; T289-W292 HydrophobicContact CG2-CD2 3.35Å; T289-W292 HydrophobicContact CG2-CE3 3.75Å; T289-W292 HydrophobicContact CG2-CG 3.73Å; T289-W292 HydrophobicContact CG2-CH2 4.08Å; T289-W292 HydrophobicContact CG2-CZ2 3.73Å; T289-W292 HydrophobicContact CG2-CZ3 4.1Å; W292-Y300 HydrophobicContact CE3-CD1 4.47Å |
| 293 | R | 95.1 | Very high | 92.9 | Very high | 87 Ų | 87 | 64.9 Ų | 64.9 | 33% | 0.328 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 160.6 | 171.8 | -64.9 | -177.8 | -179.3 | -84.7 | -2.6 | 109.3 | L301 N303 | R293-L301 HydrophobicContact CB-CB 4.43Å; R293-L301 PolarHBondContact N-O 2.7Å; R293-L301 PolarHBondContact O-N 3.4Å; R293-N303 VanDerWaalsContact CZ-OD1 3.31Å; R293-N303 PolarHBondContact NE-OD1 2.91Å; R293-N303 PolarHBondContact NH2-OD1 3.12Å |
| 294 | R | 95.4 | Very high | 93 | Very high | 148 Ų | 148 | 65.7 Ų | 65.7 | 56% | 0.558 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 151.7 | 165.6 | -64 | -175 | -174.7 | -80.7 | 1.4 | 109.8 | G298 H299 Y300 | R294-G298 PolarHBondContact NH1-O 3.42Å; R294-H299 VanDerWaalsContact CA-O 3.27Å; R294-H299 WeakPolarHBondContact CA-O 3.29Å; R294-Y300 VanDerWaalsContact NH1-CE1 3.3Å; R294-Y300 VanDerWaalsContact NH1-CZ 3.26Å; R294-Y300 PolarHBondContact NH1-OH 2.87Å; R294-Y300 PolarHBondContact NH2-OH 3.26Å |
| 295 | D | 90.8 | Very high | 93.2 | Very high | 40 Ų | 40 | 64.5 Ų | 64.5 | 21% | 0.214 | 37% | 0.37 | C | S | . | . | | | trans | -81.1 | 177.3 | 158.3 | 74.4 | -13.6 | 0 | 0 | 0 | 110.2 | T297 G298 H299 L301 | D295-T297 VanDerWaalsContact CG-OG1 3.26Å; D295-T297 PolarHBondContact O-N 3.43Å; D295-T297 VanDerWaalsContact O-N 3.12Å; D295-T297 VanDerWaalsContact OD1-C 3.22Å; D295-T297 VanDerWaalsContact OD1-CA 3.31Å; D295-T297 WeakPolarHBondContact OD1-CA 3.33Å; D295-T297 WeakPolarHBondContact OD1-CB 3.38Å; D295-T297 PolarHBondContact OD1-N 2.91Å; D295-T297 PolarHBondContact OD1-OG1 3.31Å; D295-T297 WeakPolarHBondContact OD2-CB 3.37Å; D295-T297 PolarHBondContact OD2-OG1 2.84Å; D295-G298 PolarHBondContact O-N 3.42Å; D295-G298 VanDerWaalsContact O-N 3.09Å; D295-G298 PolarHBondContact OD1-N 3.02Å; D295-H299 PolarHBondContact N-O 3.21Å; D295-H299 WeakPolarHBondContact OD1-CB 3.42Å; D295-H299 IonicContact OD1-CG 3.74Å; D295-H299 PolarHBondContact OD1-N 2.93Å; D295-H299 IonicContact OD1-ND1 3.4Å; D295-H299 PolarHBondContact OD1-ND1 2.92Å; D295-H299 IonicContact OD2-CE1 3.89Å; D295-H299 IonicContact OD2-CG 3.86Å; D295-H299 IonicContact OD2-ND1 2.86Å; D295-H299 PolarHBondContact OD2-ND1 2.86Å; D295-L301 HydrophobicContact CB-CD1 4.15Å |
| 296 | S | 89.7 | Confident | 93.5 | Very high | 131 Ų | 131 | 64 Ų | 64 | 92% | 0.916 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -11.7 | 173.8 | 53.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 297 | T | 92.6 | Very high | 93.7 | Very high | 100 Ų | 100 | 65.7 Ų | 65.7 | 61% | 0.613 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 0.6 | 178.2 | -14.9 | 0 | 0 | 0 | 0 | 112.3 | D295 H299 | D295-T297 VanDerWaalsContact CG-OG1 3.26Å; D295-T297 PolarHBondContact O-N 3.43Å; D295-T297 VanDerWaalsContact O-N 3.12Å; D295-T297 VanDerWaalsContact OD1-C 3.22Å; D295-T297 VanDerWaalsContact OD1-CA 3.31Å; D295-T297 WeakPolarHBondContact OD1-CA 3.33Å; D295-T297 WeakPolarHBondContact OD1-CB 3.38Å; D295-T297 PolarHBondContact OD1-N 2.91Å; D295-T297 PolarHBondContact OD1-OG1 3.31Å; D295-T297 WeakPolarHBondContact OD2-CB 3.37Å; D295-T297 PolarHBondContact OD2-OG1 2.84Å; T297-H299 WeakPolarHBondContact CB-ND1 3.48Å |
| 298 | G | 91.3 | Very high | 93.8 | Very high | 31 Ų | 31 | 64 Ų | 64 | 32% | 0.32 | 35% | 0.352 | S | S | . | . | | | trans | 84.7 | -5.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | R294 D295 | R294-G298 PolarHBondContact NH1-O 3.42Å; D295-G298 PolarHBondContact O-N 3.42Å; D295-G298 VanDerWaalsContact O-N 3.09Å; D295-G298 PolarHBondContact OD1-N 3.02Å |
| 299 | H | 93.6 | Very high | 93.9 | Very high | 89 Ų | 89 | 63.1 Ų | 63.1 | 41% | 0.412 | 34% | 0.337 | S | S | . | . | | | trans | -63.6 | 141.5 | -178.8 | -60.2 | 116.1 | 0 | 0 | 0 | 112.6 | V282 R294 D295 T297 L301 | V282-H299 HydrophobicContact CG1-CB 4.02Å; V282-H299 HydrophobicContact CG2-CB 3.88Å; R294-H299 VanDerWaalsContact CA-O 3.27Å; R294-H299 WeakPolarHBondContact CA-O 3.29Å; D295-H299 PolarHBondContact N-O 3.21Å; D295-H299 WeakPolarHBondContact OD1-CB 3.42Å; D295-H299 IonicContact OD1-CG 3.74Å; D295-H299 PolarHBondContact OD1-N 2.93Å; D295-H299 IonicContact OD1-ND1 3.4Å; D295-H299 PolarHBondContact OD1-ND1 2.92Å; D295-H299 IonicContact OD2-CE1 3.89Å; D295-H299 IonicContact OD2-CG 3.86Å; D295-H299 IonicContact OD2-ND1 2.86Å; D295-H299 PolarHBondContact OD2-ND1 2.86Å; T297-H299 WeakPolarHBondContact CB-ND1 3.48Å; H299-L301 PolarHBondContact O-N 2.82Å |
| 300 | Y | 94.9 | Very high | 93.9 | Very high | 80 Ų | 80 | 70.5 Ų | 70.5 | 31% | 0.314 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 125.6 | 175.9 | -63.7 | -73.7 | 0 | 0 | 0 | 112.6 | R279 C281 V282 W292 R294 | R279-Y300 HydrophobicContact CG-CD2 4.38Å; R279-Y300 HydrophobicContact CG-CE2 4.34Å; R279-Y300 HydrophobicContact CG-CG 4.49Å; C281-Y300 WeakPolarHBondContact CA-O 3.48Å; V282-Y300 PolarHBondContact N-O 2.66Å; W292-Y300 HydrophobicContact CE3-CD1 4.47Å; R294-Y300 VanDerWaalsContact NH1-CE1 3.3Å; R294-Y300 VanDerWaalsContact NH1-CZ 3.26Å; R294-Y300 PolarHBondContact NH1-OH 2.87Å; R294-Y300 PolarHBondContact NH2-OH 3.26Å |
| 301 | L | 94.8 | Very high | 93.7 | Very high | 11 Ų | 11 | 71 Ų | 71 | 6% | 0.058 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 141.4 | 171 | -67.2 | 175.6 | 0 | 0 | 0 | 110.2 | V282 N283 R293 D295 H299 C305 | V282-L301 HydrophobicContact CG2-CD2 3.68Å; N283-L301 HydrophobicContact CB-CD2 3.98Å; R293-L301 HydrophobicContact CB-CB 4.43Å; R293-L301 PolarHBondContact N-O 2.7Å; R293-L301 PolarHBondContact O-N 3.4Å; D295-L301 HydrophobicContact CB-CD1 4.15Å; H299-L301 PolarHBondContact O-N 2.82Å; L301-C305 HydrophobicContact CD2-CB 4.27Å |
| 302 | C | 95.9 | Very high | 93.7 | Very high | 9 Ų | 9 | 70.5 Ų | 70.5 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 160.9 | 167 | 71.3 | 0 | 0 | 0 | 0 | 110.4 | C281 A286 T289 A304 C305 G306 | C281-C302 HydrophobicContact CB-CB 4Å; C281-C302 PolarHBondContact SG-N 3.08Å; A286-C302 HydrophobicContact CB-CB 4.29Å; T289-C302 HydrophobicContact CG2-CB 4.12Å; T289-C302 WeakPolarHBondContact OG1-CA 3.38Å; T289-C302 WeakPolarHBondContact OG1-CB 3.37Å; C302-A304 VanDerWaalsContact C-N 3.29Å; C302-A304 PolarHBondContact O-N 2.99Å; C302-C305 PolarHBondContact O-N 3.45Å; C302-C305 PolarHBondContact SG-SG 2.75Å; C302-G306 PolarHBondContact O-N 3.43Å |
| 303 | N | 96.1 | Very high | 93.4 | Very high | 39 Ų | 39 | 70.3 Ų | 70.3 | 21% | 0.209 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -52.3 | -47.9 | -173.9 | -169.9 | 32.8 | 0 | 0 | 0 | 111.9 | T289 P290 L291 R293 C305 G306 L307 | T289-N303 PolarHBondContact OG1-N 3.45Å; P290-N303 HydrophobicContact CG-CB 4.31Å; L291-N303 HydrophobicContact CB-CB 4.14Å; L291-N303 PolarHBondContact O-N 3.09Å; L291-N303 VanDerWaalsContact O-N 3.09Å; R293-N303 VanDerWaalsContact CZ-OD1 3.31Å; R293-N303 PolarHBondContact NE-OD1 2.91Å; R293-N303 PolarHBondContact NH2-OD1 3.12Å; N303-C305 PolarHBondContact O-N 3.18Å; N303-G306 PolarHBondContact O-N 2.73Å; N303-L307 WeakPolarHBondContact O-CB 3.31Å; N303-L307 VanDerWaalsContact O-CG 3.29Å; N303-L307 WeakPolarHBondContact O-CG 3.38Å; N303-L307 PolarHBondContact O-N 3.22Å; N303-L307 WeakPolarHBondContact OD1-CD1 3.26Å |
| 304 | A | 94.3 | Very high | 93.2 | Very high | 42 Ų | 42 | 72.6 Ų | 72.6 | 35% | 0.347 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.9 | -35.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | C302 Y308 | C302-A304 VanDerWaalsContact C-N 3.29Å; C302-A304 PolarHBondContact O-N 2.99Å; A304-Y308 VanDerWaalsContact O-CB 3.28Å; A304-Y308 WeakPolarHBondContact O-CB 3.39Å; A304-Y308 PolarHBondContact O-N 3.4Å; A304-Y308 VanDerWaalsContact O-N 3.14Å |
| 305 | C | 94.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.014 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -79.6 | -36.7 | 178.7 | -64.7 | 0 | 0 | 0 | 0 | 112.2 | N283 C284 L301 C302 N303 H309 | N283-C305 HydrophobicContact CB-CB 4.11Å; N283-C305 PolarHBondContact OD1-SG 3.38Å; C284-C305 VanDerWaalsContact SG-SG 3.66Å; L301-C305 HydrophobicContact CD2-CB 4.27Å; C302-C305 PolarHBondContact O-N 3.45Å; C302-C305 PolarHBondContact SG-SG 2.75Å; N303-C305 PolarHBondContact O-N 3.18Å; C305-H309 VanDerWaalsContact O-CB 3.3Å; C305-H309 WeakPolarHBondContact O-CB 3.43Å; C305-H309 PolarHBondContact O-N 2.86Å |
| 306 | G | 95 | Very high | 92.8 | Very high | 10 Ų | 10 | 74.4 Ų | 74.4 | 10% | 0.103 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -69.9 | -37.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | C302 N303 K310 | C302-G306 PolarHBondContact O-N 3.43Å; N303-G306 PolarHBondContact O-N 2.73Å; G306-K310 WeakPolarHBondContact O-CB 3.49Å; G306-K310 PolarHBondContact O-N 2.84Å |
| 307 | L | 94.4 | Very high | 92.6 | Very high | 66 Ų | 66 | 72.1 Ų | 72.1 | 35% | 0.346 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.4 | -47.3 | 172.4 | -74.3 | 170.1 | 0 | 0 | 0 | 111.6 | N303 H309 K310 M311 | N303-L307 WeakPolarHBondContact O-CB 3.31Å; N303-L307 VanDerWaalsContact O-CG 3.29Å; N303-L307 WeakPolarHBondContact O-CG 3.38Å; N303-L307 PolarHBondContact O-N 3.22Å; N303-L307 WeakPolarHBondContact OD1-CD1 3.26Å; L307-H309 PolarHBondContact O-N 3.31Å; L307-K310 PolarHBondContact O-N 2.78Å; L307-M311 HydrophobicContact CB-CE 4.15Å; L307-M311 WeakPolarHBondContact O-CE 3.27Å; L307-M311 PolarHBondContact O-N 3.42Å |
| 308 | Y | 94.6 | Very high | 92.1 | Very high | 62 Ų | 62 | 70.5 Ų | 70.5 | 24% | 0.243 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 176 | -170.3 | -81.3 | 0 | 0 | 0 | 111.6 | A304 K310 M311 N312 Q314 R316 P317 | A304-Y308 VanDerWaalsContact O-CB 3.28Å; A304-Y308 WeakPolarHBondContact O-CB 3.39Å; A304-Y308 PolarHBondContact O-N 3.4Å; A304-Y308 VanDerWaalsContact O-N 3.14Å; Y308-K310 VanDerWaalsContact C-N 3.32Å; Y308-K310 PolarHBondContact O-N 2.97Å; Y308-M311 PolarHBondContact O-N 2.78Å; Y308-N312 HydrophobicContact CD1-CB 4.18Å; Y308-N312 WeakPolarHBondContact CD2-OD1 3.3Å; Y308-N312 HydrophobicContact CE1-CB 3.8Å; Y308-N312 WeakPolarHBondContact CE2-OD1 3.43Å; Y308-N312 VanDerWaalsContact CZ-OD1 3.24Å; Y308-N312 WeakPolarHBondContact O-CB 3.27Å; Y308-N312 PolarHBondContact O-N 3.09Å; Y308-N312 PolarHBondContact O-OD1 2.68Å; Y308-Q314 WeakPolarHBondContact CD1-O 3.26Å; Y308-R316 HydrophobicContact CD1-CB 3.74Å; Y308-R316 HydrophobicContact CD1-CG 4.14Å; Y308-R316 HydrophobicContact CD2-CB 4.43Å; Y308-R316 HydrophobicContact CD2-CG 3.92Å; Y308-R316 HydrophobicContact CE1-CB 4.35Å; Y308-R316 HydrophobicContact CE2-CG 4.43Å; Y308-R316 HydrophobicContact CG-CB 3.79Å; Y308-R316 HydrophobicContact CG-CG 3.77Å; Y308-P317 WeakPolarHBondContact OH-CD 3.48Å |
| 309 | H | 93.3 | Very high | 91.3 | Very high | 76 Ų | 76 | 77 Ų | 77 | 35% | 0.352 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.2 | -36.2 | 177.1 | -171.1 | -85.2 | 0 | 0 | 0 | 112.7 | C305 L307 G313 Q314 | C305-H309 VanDerWaalsContact O-CB 3.3Å; C305-H309 WeakPolarHBondContact O-CB 3.43Å; C305-H309 PolarHBondContact O-N 2.86Å; L307-H309 PolarHBondContact O-N 3.31Å; H309-G313 WeakPolarHBondContact O-CA 3.41Å; H309-G313 PolarHBondContact O-N 3.5Å; H309-G313 VanDerWaalsContact O-N 3.09Å; H309-Q314 WeakPolarHBondContact CA-O 3.15Å |
| 310 | K | 92.9 | Very high | 90.3 | Very high | 185 Ų | 185 | 81.2 Ų | 81.2 | 80% | 0.804 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -67.8 | -40.8 | 175.2 | -172.7 | 178 | 178.7 | -175.1 | 0 | 112.4 | G306 L307 Y308 | G306-K310 WeakPolarHBondContact O-CB 3.49Å; G306-K310 PolarHBondContact O-N 2.84Å; L307-K310 PolarHBondContact O-N 2.78Å; Y308-K310 VanDerWaalsContact C-N 3.32Å; Y308-K310 PolarHBondContact O-N 2.97Å |
| 311 | M | 89.7 | Confident | 88.6 | Confident | 136 Ų | 136 | 83 Ų | 83 | 67% | 0.67 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -85 | -32.6 | -175.4 | 78.1 | -178.1 | 70.8 | 0 | 0 | 114 | L307 Y308 | L307-M311 HydrophobicContact CB-CE 4.15Å; L307-M311 WeakPolarHBondContact O-CE 3.27Å; L307-M311 PolarHBondContact O-N 3.42Å; Y308-M311 PolarHBondContact O-N 2.78Å |
| 312 | N | 93.2 | Very high | 87 | Confident | 76 Ų | 76 | 85.9 Ų | 85.9 | 41% | 0.406 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -106.1 | -8.3 | -175.8 | -59.2 | 111.5 | 0 | 0 | 0 | 114.1 | Y308 Q314 | Y308-N312 HydrophobicContact CD1-CB 4.18Å; Y308-N312 WeakPolarHBondContact CD2-OD1 3.3Å; Y308-N312 HydrophobicContact CE1-CB 3.8Å; Y308-N312 WeakPolarHBondContact CE2-OD1 3.43Å; Y308-N312 VanDerWaalsContact CZ-OD1 3.24Å; Y308-N312 WeakPolarHBondContact O-CB 3.27Å; Y308-N312 PolarHBondContact O-N 3.09Å; Y308-N312 PolarHBondContact O-OD1 2.68Å; N312-Q314 PolarHBondContact O-N 2.99Å |
| 313 | G | 90.3 | Very high | 85.3 | Confident | 57 Ų | 57 | 95 Ų | 95 | 59% | 0.588 | 48% | 0.48 | S | S | * | . | S | Bend | trans | 62.9 | 10.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | H309 | H309-G313 WeakPolarHBondContact O-CA 3.41Å; H309-G313 PolarHBondContact O-N 3.5Å; H309-G313 VanDerWaalsContact O-N 3.09Å |
| 314 | Q | 90.8 | Very high | 83.4 | Confident | 134 Ų | 134 | 100 Ų | 100 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -132 | 164.2 | -172.5 | -66.9 | -166 | 20.2 | 0 | 0 | 112.2 | Y308 H309 N312 | Y308-Q314 WeakPolarHBondContact CD1-O 3.26Å; H309-Q314 WeakPolarHBondContact CA-O 3.15Å; N312-Q314 PolarHBondContact O-N 2.99Å |
| 315 | N | 88.3 | Confident | 81.7 | Confident | 111 Ų | 111 | 103.5 Ų | 103.5 | 59% | 0.594 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 134.6 | 174.3 | -91 | -79.2 | 0 | 0 | 0 | 110.7 | N283 | N283-N315 WeakPolarHBondContact ND2-CB 3.46Å; N283-N315 PolarHBondContact ND2-OD1 3.29Å |
| 316 | R | 88.9 | Confident | 80 | Confident | 115 Ų | 115 | 106.1 Ų | 106.1 | 43% | 0.434 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 125.5 | 179.2 | -167.6 | 175.1 | -173.6 | -137.1 | 2.2 | 110.8 | N283 Y308 L318 | N283-R316 PolarHBondContact ND2-N 3.02Å; Y308-R316 HydrophobicContact CD1-CB 3.74Å; Y308-R316 HydrophobicContact CD1-CG 4.14Å; Y308-R316 HydrophobicContact CD2-CB 4.43Å; Y308-R316 HydrophobicContact CD2-CG 3.92Å; Y308-R316 HydrophobicContact CE1-CB 4.35Å; Y308-R316 HydrophobicContact CE2-CG 4.43Å; Y308-R316 HydrophobicContact CG-CB 3.79Å; Y308-R316 HydrophobicContact CG-CG 3.77Å; R316-L318 WeakPolarHBondContact O-CD1 3.49Å; R316-L318 PolarHBondContact O-N 2.86Å |
| 317 | P | 84.7 | Confident | 78.1 | Confident | 83 Ų | 83 | 108.2 Ų | 108.2 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 126.7 | 176.2 | 27.3 | -32.9 | 0 | 0 | 0 | 109.8 | Y308 I319 | Y308-P317 WeakPolarHBondContact OH-CD 3.48Å; P317-I319 PolarHBondContact O-N 3.36Å |
| 318 | L | 81.9 | Confident | 76.4 | Confident | 66 Ų | 66 | 106.4 Ų | 106.4 | 35% | 0.346 | 54% | 0.537 | S | S | . | . | | | trans | -90.6 | 98.8 | 177.9 | -94.7 | 70.4 | 0 | 0 | 0 | 110 | N283 C284 R316 K320 K322 | N283-L318 WeakPolarHBondContact OD1-CD1 3.47Å; C284-L318 HydrophobicContact CB-CD1 4.02Å; C284-L318 HydrophobicContact CB-CD2 4.14Å; C284-L318 HydrophobicContact CB-CG 4.45Å; R316-L318 WeakPolarHBondContact O-CD1 3.49Å; R316-L318 PolarHBondContact O-N 2.86Å; L318-K320 PolarHBondContact O-N 3.25Å; L318-K320 VanDerWaalsContact O-N 3.08Å; L318-K322 HydrophobicContact CD2-CB 3.76Å; L318-K322 HydrophobicContact CD2-CG 4.46Å |
| 319 | I | 75.5 | Confident | 74.7 | Confident | 168 Ų | 168 | 112.3 Ų | 112.3 | 86% | 0.862 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -52.1 | -30.9 | 177.5 | -59.8 | 170.1 | 0 | 0 | 0 | 112.1 | P317 | P317-I319 PolarHBondContact O-N 3.36Š|
| 320 | K | 71.5 | Confident | 73.3 | Confident | 177 Ų | 177 | 116.1 Ų | 116.1 | 77% | 0.77 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -114.7 | 119.8 | 170.8 | -71.4 | 172.9 | 179.6 | 173.6 | 0 | 108.5 | L318 K322 | L318-K320 PolarHBondContact O-N 3.25Å; L318-K320 VanDerWaalsContact O-N 3.08Å; K320-K322 PolarHBondContact O-N 2.69Å |
| 321 | P | 60.8 | Low | 72.1 | Confident | 119 Ų | 119 | 112.2 Ų | 112.2 | 77% | 0.773 | 57% | 0.573 | S | S | * | * | | | trans | -52.2 | 129.3 | -180 | -29.8 | 35.9 | 0 | 0 | 0 | 112.3 | R323 | P321-R323 PolarHBondContact O-N 3.22Š|
| 322 | K | 61.3 | Low | 71.8 | Confident | 70 Ų | 70 | 109.9 Ų | 109.9 | 30% | 0.304 | 58% | 0.584 | S | S | . | * | | | trans | -52.3 | 96.9 | -175.8 | -179.4 | 173.8 | 153.8 | 77.9 | 0 | 111.1 | E280 G285 L318 K320 R324 | E280-K322 IonicContact OE2-NZ 3.69Å; E280-K322 PolarHBondContact OE2-NZ 3.35Å; G285-K322 VanDerWaalsContact N-NZ 3.16Å; L318-K322 HydrophobicContact CD2-CB 3.76Å; L318-K322 HydrophobicContact CD2-CG 4.46Å; K320-K322 PolarHBondContact O-N 2.69Å; K322-R324 HydrophobicContact CD-CG 4.15Å; K322-R324 HydrophobicContact CG-CG 3.88Å; K322-R324 PolarHBondContact O-N 2.95Å |
| 323 | R | 58.8 | Low | 71.8 | Confident | 200 Ų | 200 | 107.8 Ų | 107.8 | 76% | 0.755 | 57% | 0.574 | S | S | * | * | | | trans | -63.7 | 86 | 162.1 | -93.2 | -171.1 | 67.1 | 102.7 | -4.5 | 108 | P321 L325 | P321-R323 PolarHBondContact O-N 3.22Å; R323-L325 PolarHBondContact O-N 3.24Å |
| 324 | R | 57.5 | Low | 72 | Confident | 146 Ų | 146 | 107.9 Ų | 107.9 | 55% | 0.551 | 57% | 0.565 | S | S | * | * | | | trans | -63.7 | 90.8 | 164 | -77.5 | -157 | 92 | -175.5 | 5.9 | 108.3 | E280 K322 S326 | E280-R324 IonicContact OE1-CZ 2.73Å; E280-R324 IonicContact OE1-NE 2.69Å; E280-R324 IonicContact OE1-NH2 3.66Å; E280-R324 PolarHBondContact OE1-NH2 3.3Å; K322-R324 HydrophobicContact CD-CG 4.15Å; K322-R324 HydrophobicContact CG-CG 3.88Å; K322-R324 PolarHBondContact O-N 2.95Å; R324-S326 PolarHBondContact NE-OG 3.16Å; R324-S326 PolarHBondContact O-N 2.85Å |
| 325 | L | 57.9 | Low | 72.2 | Confident | 115 Ų | 115 | 101.5 Ų | 101.5 | 60% | 0.602 | 54% | 0.535 | S | S | * | . | | | trans | -65.2 | -14.7 | 167.1 | -65.8 | 169.2 | 0 | 0 | 0 | 111.5 | R323 A327 | R323-L325 PolarHBondContact O-N 3.24Å; L325-A327 PolarHBondContact O-N 3.48Å |
| 326 | S | 58.4 | Low | 72.7 | Confident | 56 Ų | 56 | 98.8 Ų | 98.8 | 39% | 0.392 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 120.9 | 179.3 | 59.4 | 0 | 0 | 0 | 0 | 112.9 | R324 A328 | R324-S326 PolarHBondContact NE-OG 3.16Å; R324-S326 PolarHBondContact O-N 2.85Å; S326-A328 PolarHBondContact O-N 3.45Å |
| 327 | A | 56 | Low | 73.1 | Confident | 54 Ų | 54 | 94.8 Ų | 94.8 | 45% | 0.446 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | -15.5 | 170 | 0 | 0 | 0 | 0 | 0 | 118.6 | L325 R329 W346 | L325-A327 PolarHBondContact O-N 3.48Å; A327-R329 PolarHBondContact O-N 3.02Å; A327-W346 VanDerWaalsContact O-CD1 3.29Å; A327-W346 PolarHBondContact O-NE1 3.13Å; A327-W346 VanDerWaalsContact O-NE1 3.08Å |
| 328 | A | 57.8 | Low | 73.6 | Confident | 28 Ų | 28 | 91.1 Ų | 91.1 | 23% | 0.231 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -25.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S326 T343 | S326-A328 PolarHBondContact O-N 3.45Å; A328-T343 WeakPolarHBondContact CA-O 3.09Å; A328-T343 WeakPolarHBondContact CB-O 3.33Å |
| 329 | R | 58.6 | Low | 74.3 | Confident | 187 Ų | 187 | 93 Ų | 93 | 71% | 0.706 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.1 | 84.3 | 167.5 | -61.5 | -170 | -57.1 | -167.6 | 6 | 109.3 | A327 T342 | A327-R329 PolarHBondContact O-N 3.02Å; R329-T342 HydrophobicContact CG-CG2 4.44Å |
| 330 | R | 65 | Low | 75.1 | Confident | 155 Ų | 155 | 86.4 Ų | 86.4 | 59% | 0.585 | 47% | 0.466 | S | S | * | . | | | trans | -77.9 | 120.7 | 157.8 | -70 | -175.5 | -177.6 | -152.2 | 0.7 | 106.3 | G332 T333 | R330-G332 PolarHBondContact O-N 3.29Å; R330-T333 WeakPolarHBondContact CB-OG1 3.35Å; R330-T333 PolarHBondContact O-N 2.99Å |
| 331 | A | 68.1 | Low | 76.2 | Confident | 103 Ų | 103 | 82.2 Ų | 82.2 | 85% | 0.851 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 138.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110 | T333 | A331-T333 PolarHBondContact O-N 3.29Å; A331-T333 VanDerWaalsContact O-N 3.14Å |
| 332 | G | 82.6 | Confident | 77.6 | Confident | 88 Ų | 88 | 78.8 Ų | 78.8 | 91% | 0.907 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | -5.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | R330 | R330-G332 PolarHBondContact O-N 3.29Š|
| 333 | T | 92.3 | Very high | 79.1 | Confident | 31 Ų | 31 | 75.8 Ų | 75.8 | 19% | 0.19 | 42% | 0.42 | C | S | . | . | | | trans | -87.2 | 118.8 | 178.2 | -47.3 | 0 | 0 | 0 | 0 | 111.2 | R330 A331 W346 P354 | R330-T333 WeakPolarHBondContact CB-OG1 3.35Å; R330-T333 PolarHBondContact O-N 2.99Å; A331-T333 PolarHBondContact O-N 3.29Å; A331-T333 VanDerWaalsContact O-N 3.14Å; T333-W346 HydrophobicContact CG2-CD2 3.81Å; T333-W346 HydrophobicContact CG2-CE3 3.79Å; T333-W346 HydrophobicContact CG2-CH2 3.72Å; T333-W346 HydrophobicContact CG2-CZ2 3.73Å; T333-W346 HydrophobicContact CG2-CZ3 3.74Å; T333-W346 VanDerWaalsContact O-CH2 3.3Å; T333-W346 WeakPolarHBondContact O-CH2 3.37Å; T333-W346 WeakPolarHBondContact O-CZ2 3.49Å; T333-P354 HydrophobicContact CG2-CB 3.7Å; T333-P354 HydrophobicContact CG2-CG 4.17Å |
| 334 | C | 94.7 | Very high | 80.6 | Confident | 60 Ų | 60 | 70.9 Ų | 70.9 | 41% | 0.405 | 41% | 0.412 | S | S | . | . | | | trans | -115.2 | 163.2 | 170 | 67.7 | 0 | 0 | 0 | 0 | 110.9 | T340 T341 P354 | C334-T340 CarbonylContact C-O 3.56Å; C334-T340 WeakPolarHBondContact CA-O 3.29Å; C334-T341 HydrophobicContact CB-CG2 4.26Å; C334-P354 WeakPolarHBondContact O-CG 3.35Å |
| 335 | C | 96.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 41% | 0.408 | C | S | . | . | | | trans | -86.2 | 120.9 | 174.4 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | N337 C338 Q339 T340 W346 P354 C356 | C335-N337 VanDerWaalsContact C-N 3.25Å; C335-N337 PolarHBondContact O-N 3.11Å; C335-N337 VanDerWaalsContact O-N 3.12Å; C335-C338 PolarHBondContact O-N 3.35Å; C335-C338 VanDerWaalsContact SG-SG 3.68Å; C335-Q339 VanDerWaalsContact O-CA 3.22Å; C335-Q339 WeakPolarHBondContact O-CA 3.45Å; C335-Q339 PolarHBondContact O-N 3.19Å; C335-T340 HydrophobicContact CB-CG2 3.87Å; C335-T340 PolarHBondContact N-O 3.47Å; C335-W346 HydrophobicContact CB-CZ3 4.24Å; C335-P354 WeakPolarHBondContact CA-O 3.42Å; C335-C356 HydrophobicContact CB-CB 4.05Å; C335-C356 PolarHBondContact SG-N 2.89Å |
| 336 | A | 97.1 | Very high | 84 | Confident | 54 Ų | 54 | 64.1 Ų | 64.1 | 45% | 0.446 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -39.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D353 P354 V355 | A336-D353 HydrophobicContact CB-CB 3.97Å; A336-P354 PolarHBondContact N-O 3.39Å; A336-V355 HydrophobicContact CB-CG1 4.35Å |
| 337 | N | 97.1 | Very high | 85.8 | Confident | 31 Ų | 31 | 65.6 Ų | 65.6 | 17% | 0.166 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -27.2 | -177.1 | 166.9 | -125.8 | 0 | 0 | 0 | 115.5 | C335 C359 N369 R370 | C335-N337 VanDerWaalsContact C-N 3.25Å; C335-N337 PolarHBondContact O-N 3.11Å; C335-N337 VanDerWaalsContact O-N 3.12Å; N337-C359 HydrophobicContact CB-CB 4.36Å; N337-C359 WeakPolarHBondContact OD1-CB 3.27Å; N337-C359 PolarHBondContact OD1-SG 3.43Å; N337-N369 PolarHBondContact ND2-ND2 3.29Å; N337-R370 PolarHBondContact ND2-O 3.16Å; N337-R370 WeakPolarHBondContact OD1-CB 3.48Å; N337-R370 PolarHBondContact OD1-N 3.48Å |
| 338 | C | 96.4 | Very high | 87.7 | Confident | 6 Ų | 6 | 72 Ų | 72 | 4% | 0.041 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -140.6 | 11 | -174.6 | 76.9 | 0 | 0 | 0 | 0 | 115.4 | C335 T340 C359 L372 K375 | C335-C338 PolarHBondContact O-N 3.35Å; C335-C338 VanDerWaalsContact SG-SG 3.68Å; C338-T340 PolarHBondContact O-N 2.9Å; C338-C359 PolarHBondContact SG-SG 3.09Å; C338-L372 HydrophobicContact CB-CD2 3.93Å; C338-K375 HydrophobicContact CB-CD 4.41Å; C338-K375 VanDerWaalsContact O-CE 3.27Å; C338-K375 WeakPolarHBondContact O-CE 3.18Å; C338-K375 PolarHBondContact O-NZ 2.9Å |
| 339 | Q | 95.6 | Very high | 89.5 | Confident | 106 Ų | 106 | 73.2 Ų | 73.2 | 50% | 0.495 | 40% | 0.397 | S | S | . | . | | | trans | 57 | 5.6 | 174.2 | -51.3 | 77.5 | 29.9 | 0 | 0 | 115.9 | C335 T341 | C335-Q339 VanDerWaalsContact O-CA 3.22Å; C335-Q339 WeakPolarHBondContact O-CA 3.45Å; C335-Q339 PolarHBondContact O-N 3.19Å; Q339-T341 PolarHBondContact O-N 3.18Å |
| 340 | T | 93.8 | Very high | 91.2 | Very high | 29 Ų | 29 | 69 Ų | 69 | 18% | 0.178 | 40% | 0.403 | C | S | . | . | | | trans | -61.4 | 131.6 | 175.4 | -173.4 | 0 | 0 | 0 | 0 | 110.8 | C334 C335 C338 T342 W346 C356 | C334-T340 CarbonylContact C-O 3.56Å; C334-T340 WeakPolarHBondContact CA-O 3.29Å; C335-T340 HydrophobicContact CB-CG2 3.87Å; C335-T340 PolarHBondContact N-O 3.47Å; C338-T340 PolarHBondContact O-N 2.9Å; T340-T342 VanDerWaalsContact C-N 3.35Å; T340-T342 WeakPolarHBondContact CG2-O 3.29Å; T340-T342 PolarHBondContact OG1-N 2.74Å; T340-T342 VanDerWaalsContact OG1-N 3.14Å; T340-T342 PolarHBondContact OG1-O 2.92Å; T340-W346 WeakPolarHBondContact O-CH2 3.17Å; T340-C356 HydrophobicContact CG2-CB 3.57Å |
| 341 | T | 93.4 | Very high | 92.7 | Very high | 88 Ų | 88 | 68 Ų | 68 | 54% | 0.54 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -89.6 | -4.2 | 171.7 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | C334 Q339 | C334-T341 HydrophobicContact CB-CG2 4.26Å; Q339-T341 PolarHBondContact O-N 3.18Å |
| 342 | T | 91.3 | Very high | 93.9 | Very high | 48 Ų | 48 | 64.4 Ų | 64.4 | 29% | 0.294 | 38% | 0.381 | S | S | . | . | | | trans | -124 | 137.9 | 178.3 | 74.6 | 0 | 0 | 0 | 0 | 111.9 | R329 T340 | R329-T342 HydrophobicContact CG-CG2 4.44Å; T340-T342 VanDerWaalsContact C-N 3.35Å; T340-T342 WeakPolarHBondContact CG2-O 3.29Å; T340-T342 PolarHBondContact OG1-N 2.74Å; T340-T342 VanDerWaalsContact OG1-N 3.14Å; T340-T342 PolarHBondContact OG1-O 2.92Å |
| 343 | T | 92.6 | Very high | 94.5 | Very high | 7 Ų | 7 | 63.5 Ų | 63.5 | 4% | 0.043 | 36% | 0.355 | C | S | . | . | | | trans | -158.8 | 153.3 | 179.3 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | A328 L345 W346 C356 N357 | A328-T343 WeakPolarHBondContact CA-O 3.09Å; A328-T343 WeakPolarHBondContact CB-O 3.33Å; T343-L345 VanDerWaalsContact CG2-O 3.29Å; T343-L345 WeakPolarHBondContact CG2-O 3.43Å; T343-L345 PolarHBondContact O-N 3.34Å; T343-L345 PolarHBondContact OG1-N 3.28Å; T343-L345 PolarHBondContact OG1-O 3.04Å; T343-W346 HydrophobicContact CG2-CD2 3.41Å; T343-W346 VanDerWaalsContact CG2-CD2 3.41Å; T343-W346 HydrophobicContact CG2-CE3 3.9Å; T343-W346 HydrophobicContact CG2-CG 3.72Å; T343-W346 HydrophobicContact CG2-CH2 4.21Å; T343-W346 HydrophobicContact CG2-CZ2 3.77Å; T343-W346 HydrophobicContact CG2-CZ3 4.27Å; T343-C356 HydrophobicContact CG2-CB 4.45Å; T343-N357 PolarHBondContact OG1-N 2.94Å |
| 344 | T | 90.7 | Very high | 94.7 | Very high | 96 Ų | 96 | 64.3 Ų | 64.3 | 59% | 0.589 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -71.6 | -21.5 | 172.7 | 60.5 | 0 | 0 | 0 | 0 | 113 | I379 | T344-I379 HydrophobicContact CG2-CG2 3.63Š|
| 345 | L | 91.8 | Very high | 94.8 | Very high | 86 Ų | 86 | 61.9 Ų | 61.9 | 45% | 0.45 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -157.8 | 134.7 | 178.5 | 174.5 | 63.3 | 0 | 0 | 0 | 109 | T343 R347 N357 | T343-L345 VanDerWaalsContact CG2-O 3.29Å; T343-L345 WeakPolarHBondContact CG2-O 3.43Å; T343-L345 PolarHBondContact O-N 3.34Å; T343-L345 PolarHBondContact OG1-N 3.28Å; T343-L345 PolarHBondContact OG1-O 3.04Å; L345-R347 HydrophobicContact CD2-CG 4.48Å; L345-R347 HydrophobicContact CG-CG 4.45Å; L345-N357 HydrophobicContact CB-CB 4.11Å; L345-N357 PolarHBondContact O-N 2.95Å; L345-N357 VanDerWaalsContact O-N 3.13Å |
| 346 | W | 94.6 | Very high | 94.9 | Very high | 34 Ų | 34 | 62.2 Ų | 62.2 | 13% | 0.129 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 137.7 | 167.1 | -70.4 | 102.7 | 0 | 0 | 0 | 109.7 | A327 T333 C335 T340 T343 P354 | A327-W346 VanDerWaalsContact O-CD1 3.29Å; A327-W346 PolarHBondContact O-NE1 3.13Å; A327-W346 VanDerWaalsContact O-NE1 3.08Å; T333-W346 HydrophobicContact CG2-CD2 3.81Å; T333-W346 HydrophobicContact CG2-CE3 3.79Å; T333-W346 HydrophobicContact CG2-CH2 3.72Å; T333-W346 HydrophobicContact CG2-CZ2 3.73Å; T333-W346 HydrophobicContact CG2-CZ3 3.74Å; T333-W346 VanDerWaalsContact O-CH2 3.3Å; T333-W346 WeakPolarHBondContact O-CH2 3.37Å; T333-W346 WeakPolarHBondContact O-CZ2 3.49Å; C335-W346 HydrophobicContact CB-CZ3 4.24Å; T340-W346 WeakPolarHBondContact O-CH2 3.17Å; T343-W346 HydrophobicContact CG2-CD2 3.41Å; T343-W346 VanDerWaalsContact CG2-CD2 3.41Å; T343-W346 HydrophobicContact CG2-CE3 3.9Å; T343-W346 HydrophobicContact CG2-CG 3.72Å; T343-W346 HydrophobicContact CG2-CH2 4.21Å; T343-W346 HydrophobicContact CG2-CZ2 3.77Å; T343-W346 HydrophobicContact CG2-CZ3 4.27Å; W346-P354 HydrophobicContact CE3-CB 4.11Å; W346-P354 HydrophobicContact CZ3-CB 4.29Å |
| 347 | R | 95.6 | Very high | 94.9 | Very high | 86 Ų | 86 | 61.3 Ų | 61.3 | 33% | 0.325 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 172.9 | 174.1 | -64.5 | 179.3 | 178.2 | -81.1 | -2.7 | 108.8 | L345 V355 N357 | L345-R347 HydrophobicContact CD2-CG 4.48Å; L345-R347 HydrophobicContact CG-CG 4.45Å; R347-V355 HydrophobicContact CB-CG2 3.88Å; R347-V355 PolarHBondContact N-O 3.3Å; R347-V355 PolarHBondContact O-N 2.75Å; R347-N357 PolarHBondContact NE-OD1 3.29Å; R347-N357 PolarHBondContact NH2-OD1 3.48Å |
| 348 | R | 96.3 | Very high | 94.9 | Very high | 190 Ų | 190 | 62 Ų | 62 | 72% | 0.717 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 150.3 | 165 | -63.2 | -175.5 | -176.7 | -87.6 | 11 | 110.3 | G352 D353 | R348-G352 VanDerWaalsContact CD-O 3.27Å; R348-G352 WeakPolarHBondContact CD-O 3.47Å; R348-G352 VanDerWaalsContact CG-O 3.31Å; R348-G352 WeakPolarHBondContact CG-O 3.46Å; R348-G352 PolarHBondContact NH1-O 3.17Å; R348-D353 VanDerWaalsContact CA-O 3.23Å; R348-D353 WeakPolarHBondContact CA-O 3.49Å |
| 349 | N | 95.4 | Very high | 94.9 | Very high | 53 Ų | 53 | 62 Ų | 62 | 28% | 0.283 | 34% | 0.344 | S | S | . | . | | | trans | -80.7 | -172.8 | 162.7 | 66.1 | -2.6 | 0 | 0 | 0 | 110.1 | N351 G352 D353 V355 | N349-N351 VanDerWaalsContact C-N 3.3Å; N349-N351 PolarHBondContact ND2-OD1 3.43Å; N349-N351 PolarHBondContact O-N 3.47Å; N349-N351 PolarHBondContact OD1-N 2.87Å; N349-G352 PolarHBondContact O-N 3.3Å; N349-G352 PolarHBondContact OD1-N 3.14Å; N349-D353 PolarHBondContact N-O 2.68Å; N349-D353 VanDerWaalsContact N-O 3.16Å; N349-D353 PolarHBondContact ND2-OD2 2.99Å; N349-D353 WeakPolarHBondContact OD1-CB 3.43Å; N349-D353 PolarHBondContact OD1-N 2.88Å; N349-D353 PolarHBondContact OD1-OD2 2.83Å; N349-V355 HydrophobicContact CB-CG1 4.19Å |
| 350 | A | 95.2 | Very high | 95 | Very high | 99 Ų | 99 | 57.6 Ų | 57.6 | 82% | 0.818 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -35.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G352 | A350-G352 PolarHBondContact O-N 3.29Š|
| 351 | N | 94.8 | Very high | 95.2 | Very high | 134 Ų | 134 | 60 Ų | 60 | 72% | 0.717 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -10.9 | 178.7 | -46.1 | 68 | 0 | 0 | 0 | 113.5 | N349 D353 | N349-N351 VanDerWaalsContact C-N 3.3Å; N349-N351 PolarHBondContact ND2-OD1 3.43Å; N349-N351 PolarHBondContact O-N 3.47Å; N349-N351 PolarHBondContact OD1-N 2.87Å; N351-D353 WeakPolarHBondContact CB-OD2 3.48Å |
| 352 | G | 94.8 | Very high | 95.4 | Very high | 26 Ų | 26 | 58.3 Ų | 58.3 | 27% | 0.268 | 32% | 0.324 | S | S | . | . | | | trans | 95.5 | -10 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R348 N349 A350 | R348-G352 VanDerWaalsContact CD-O 3.27Å; R348-G352 WeakPolarHBondContact CD-O 3.47Å; R348-G352 VanDerWaalsContact CG-O 3.31Å; R348-G352 WeakPolarHBondContact CG-O 3.46Å; R348-G352 PolarHBondContact NH1-O 3.17Å; N349-G352 PolarHBondContact O-N 3.3Å; N349-G352 PolarHBondContact OD1-N 3.14Å; A350-G352 PolarHBondContact O-N 3.29Å |
| 353 | D | 95.6 | Very high | 95.7 | Very high | 69 Ų | 69 | 61.2 Ų | 61.2 | 37% | 0.369 | 33% | 0.33 | S | S | . | . | | | trans | -62.5 | 147.3 | -176.9 | -52.9 | -55.2 | 0 | 0 | 0 | 113.7 | A336 R348 N349 N351 V355 | A336-D353 HydrophobicContact CB-CB 3.97Å; R348-D353 VanDerWaalsContact CA-O 3.23Å; R348-D353 WeakPolarHBondContact CA-O 3.49Å; N349-D353 PolarHBondContact N-O 2.68Å; N349-D353 VanDerWaalsContact N-O 3.16Å; N349-D353 PolarHBondContact ND2-OD2 2.99Å; N349-D353 WeakPolarHBondContact OD1-CB 3.43Å; N349-D353 PolarHBondContact OD1-N 2.88Å; N349-D353 PolarHBondContact OD1-OD2 2.83Å; N351-D353 WeakPolarHBondContact CB-OD2 3.48Å; D353-V355 PolarHBondContact O-N 3.28Å |
| 354 | P | 96.3 | Very high | 95.9 | Very high | 49 Ų | 49 | 68.8 Ų | 68.8 | 32% | 0.318 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 125 | 172.3 | 27.4 | -34.1 | 0 | 0 | 0 | 112 | T333 C334 C335 A336 W346 | T333-P354 HydrophobicContact CG2-CB 3.7Å; T333-P354 HydrophobicContact CG2-CG 4.17Å; C334-P354 WeakPolarHBondContact O-CG 3.35Å; C335-P354 WeakPolarHBondContact CA-O 3.42Å; A336-P354 PolarHBondContact N-O 3.39Å; W346-P354 HydrophobicContact CE3-CB 4.11Å; W346-P354 HydrophobicContact CZ3-CB 4.29Å |
| 355 | V | 97 | Very high | 96.3 | Very high | 9 Ų | 9 | 70.3 Ų | 70.3 | 6% | 0.055 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 149.4 | 170.2 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | A336 R347 N349 D353 | A336-V355 HydrophobicContact CB-CG1 4.35Å; R347-V355 HydrophobicContact CB-CG2 3.88Å; R347-V355 PolarHBondContact N-O 3.3Å; R347-V355 PolarHBondContact O-N 2.75Å; N349-V355 HydrophobicContact CB-CG1 4.19Å; D353-V355 PolarHBondContact O-N 3.28Å |
| 356 | C | 96.8 | Very high | 96.5 | Very high | 7 Ų | 7 | 70.8 Ų | 70.8 | 5% | 0.047 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 165.1 | 178 | 80.7 | 0 | 0 | 0 | 0 | 111.4 | C335 T340 T343 A358 C359 G360 | C335-C356 HydrophobicContact CB-CB 4.05Å; C335-C356 PolarHBondContact SG-N 2.89Å; T340-C356 HydrophobicContact CG2-CB 3.57Å; T343-C356 HydrophobicContact CG2-CB 4.45Å; C356-A358 VanDerWaalsContact C-N 3.27Å; C356-A358 PolarHBondContact O-N 2.97Å; C356-C359 PolarHBondContact O-N 3.35Å; C356-C359 PolarHBondContact SG-N 3.41Å; C356-C359 PolarHBondContact SG-SG 3.4Å; C356-G360 PolarHBondContact O-N 3.46Å |
| 357 | N | 97.1 | Very high | 96.7 | Very high | 34 Ų | 34 | 75 Ų | 75 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.4 | -35.9 | -176.9 | -174.1 | 52.4 | 0 | 0 | 0 | 112.5 | T343 L345 R347 L361 | T343-N357 PolarHBondContact OG1-N 2.94Å; L345-N357 HydrophobicContact CB-CB 4.11Å; L345-N357 PolarHBondContact O-N 2.95Å; L345-N357 VanDerWaalsContact O-N 3.13Å; R347-N357 PolarHBondContact NE-OD1 3.29Å; R347-N357 PolarHBondContact NH2-OD1 3.48Å; N357-L361 VanDerWaalsContact O-CB 3.29Å; N357-L361 WeakPolarHBondContact O-CB 3.3Å; N357-L361 WeakPolarHBondContact O-CD1 3.38Å; N357-L361 WeakPolarHBondContact O-CG 3.46Å; N357-L361 PolarHBondContact O-N 3.34Å; N357-L361 VanDerWaalsContact O-N 3.11Å |
| 358 | A | 97.3 | Very high | 96.7 | Very high | 46 Ų | 46 | 74.8 Ų | 74.8 | 38% | 0.38 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.7 | -46.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | C356 L361 Y362 | C356-A358 VanDerWaalsContact C-N 3.27Å; C356-A358 PolarHBondContact O-N 2.97Å; A358-L361 PolarHBondContact O-N 3.02Å; A358-Y362 WeakPolarHBondContact O-CB 3.49Å; A358-Y362 PolarHBondContact O-N 2.88Å |
| 359 | C | 97.7 | Very high | 96.8 | Very high | 5 Ų | 5 | 70.6 Ų | 70.6 | 3% | 0.034 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66 | -46.4 | 179 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | N337 C338 C356 L361 Y362 Y363 R370 | N337-C359 HydrophobicContact CB-CB 4.36Å; N337-C359 WeakPolarHBondContact OD1-CB 3.27Å; N337-C359 PolarHBondContact OD1-SG 3.43Å; C338-C359 PolarHBondContact SG-SG 3.09Å; C356-C359 PolarHBondContact O-N 3.35Å; C356-C359 PolarHBondContact SG-N 3.41Å; C356-C359 PolarHBondContact SG-SG 3.4Å; C359-L361 VanDerWaalsContact C-N 3.29Å; C359-L361 PolarHBondContact O-N 3.23Å; C359-Y362 PolarHBondContact O-N 2.79Å; C359-Y363 PolarHBondContact O-N 3.08Å; C359-R370 HydrophobicContact CB-CB 4.43Å |
| 360 | G | 97.4 | Very high | 96.9 | Very high | 15 Ų | 15 | 70.1 Ų | 70.1 | 16% | 0.155 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -70.5 | -19.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | C356 K364 | C356-G360 PolarHBondContact O-N 3.46Å; G360-K364 WeakPolarHBondContact O-CB 3.23Å |
| 361 | L | 97.3 | Very high | 97 | Very high | 80 Ų | 80 | 67.8 Ų | 67.8 | 42% | 0.419 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -83.1 | -41.2 | 169.4 | -74.9 | 172.8 | 0 | 0 | 0 | 111.9 | N357 A358 C359 K364 L365 | N357-L361 VanDerWaalsContact O-CB 3.29Å; N357-L361 WeakPolarHBondContact O-CB 3.3Å; N357-L361 WeakPolarHBondContact O-CD1 3.38Å; N357-L361 WeakPolarHBondContact O-CG 3.46Å; N357-L361 PolarHBondContact O-N 3.34Å; N357-L361 VanDerWaalsContact O-N 3.11Å; A358-L361 PolarHBondContact O-N 3.02Å; C359-L361 VanDerWaalsContact C-N 3.29Å; C359-L361 PolarHBondContact O-N 3.23Å; L361-K364 PolarHBondContact O-N 2.85Å; L361-L365 PolarHBondContact O-N 3.32Å; L361-L365 VanDerWaalsContact O-N 3.16Å |
| 362 | Y | 98.1 | Very high | 97 | Very high | 52 Ų | 52 | 66.1 Ų | 66.1 | 20% | 0.204 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 178 | -174.8 | -86.1 | 0 | 0 | 0 | 111.7 | A358 C359 K364 L365 H366 V368 N369 R370 P371 M374 | A358-Y362 WeakPolarHBondContact O-CB 3.49Å; A358-Y362 PolarHBondContact O-N 2.88Å; C359-Y362 PolarHBondContact O-N 2.79Å; Y362-K364 VanDerWaalsContact C-N 3.25Å; Y362-K364 PolarHBondContact O-N 3.25Å; Y362-L365 PolarHBondContact O-N 3.18Å; Y362-H366 AromaticContact CD2-CD2 3.53Å; Y362-H366 AromaticContact CD2-NE2 3.97Å; Y362-H366 HydrophobicContact CE1-CB 4.32Å; Y362-H366 AromaticContact CE2-CD2 3.46Å; Y362-H366 VanDerWaalsContact CE2-CD2 3.46Å; Y362-H366 WeakPolarHBondContact CE2-CD2 3.41Å; Y362-H366 AromaticContact CE2-NE2 3.83Å; Y362-H366 AromaticContact CG-CD2 3.87Å; Y362-H366 AromaticContact CZ-CD2 3.74Å; Y362-H366 PolarHBondContact O-CD2 3.31Å; Y362-H366 PolarHBondContact O-N 2.84Å; Y362-V368 WeakPolarHBondContact CD1-O 3.22Å; Y362-V368 HydrophobicContact CE1-CG2 4.11Å; Y362-N369 WeakPolarHBondContact CE1-O 3.44Å; Y362-R370 HydrophobicContact CD1-CB 3.66Å; Y362-R370 HydrophobicContact CD1-CG 3.96Å; Y362-R370 HydrophobicContact CD2-CG 4.05Å; Y362-R370 HydrophobicContact CE1-CB 4.27Å; Y362-R370 HydrophobicContact CE1-CG 4.47Å; Y362-R370 HydrophobicContact CG-CB 3.85Å; Y362-R370 HydrophobicContact CG-CG 3.71Å; Y362-P371 WeakPolarHBondContact OH-CD 3.22Å; Y362-M374 HydrophobicContact CD2-SD 4.45Å; Y362-M374 HydrophobicContact CE2-CE 4.49Å; Y362-M374 HydrophobicContact CE2-SD 3.83Å |
| 363 | Y | 97.8 | Very high | 97.1 | Very high | 109 Ų | 109 | 71.3 Ų | 71.3 | 43% | 0.427 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.1 | -33.6 | 176.6 | -170.2 | -83.7 | 0 | 0 | 0 | 112.4 | C359 L365 N367 V368 | C359-Y363 PolarHBondContact O-N 3.08Å; Y363-L365 VanDerWaalsContact C-N 3.31Å; Y363-L365 PolarHBondContact O-N 3.44Å; Y363-N367 WeakPolarHBondContact CE2-O 3.31Å; Y363-N367 WeakPolarHBondContact O-CA 3.27Å; Y363-N367 PolarHBondContact O-N 3.01Å; Y363-V368 WeakPolarHBondContact CA-O 3.44Å; Y363-V368 WeakPolarHBondContact CD2-O 3.41Å |
| 364 | K | 96.9 | Very high | 97 | Very high | 165 Ų | 165 | 72.7 Ų | 72.7 | 72% | 0.717 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -71.7 | -23 | 175.7 | 175.6 | 167.5 | -75.2 | -110.3 | 0 | 113.5 | G360 L361 Y362 | G360-K364 WeakPolarHBondContact O-CB 3.23Å; L361-K364 PolarHBondContact O-N 2.85Å; Y362-K364 VanDerWaalsContact C-N 3.25Å; Y362-K364 PolarHBondContact O-N 3.25Å |
| 365 | L | 97.7 | Very high | 96.8 | Very high | 129 Ų | 129 | 75 Ų | 75 | 68% | 0.675 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -95.9 | -30.8 | -178 | -177.1 | 60 | 0 | 0 | 0 | 113 | L361 Y362 Y363 | L361-L365 PolarHBondContact O-N 3.32Å; L361-L365 VanDerWaalsContact O-N 3.16Å; Y362-L365 PolarHBondContact O-N 3.18Å; Y363-L365 VanDerWaalsContact C-N 3.31Å; Y363-L365 PolarHBondContact O-N 3.44Å |
| 366 | H | 97.7 | Very high | 96.7 | Very high | 96 Ų | 96 | 81.2 Ų | 81.2 | 44% | 0.444 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -121.5 | -2.1 | -173.2 | -56.1 | -70.2 | 0 | 0 | 0 | 114 | Y362 V368 | Y362-H366 AromaticContact CD2-CD2 3.53Å; Y362-H366 AromaticContact CD2-NE2 3.97Å; Y362-H366 HydrophobicContact CE1-CB 4.32Å; Y362-H366 AromaticContact CE2-CD2 3.46Å; Y362-H366 VanDerWaalsContact CE2-CD2 3.46Å; Y362-H366 WeakPolarHBondContact CE2-CD2 3.41Å; Y362-H366 AromaticContact CE2-NE2 3.83Å; Y362-H366 AromaticContact CG-CD2 3.87Å; Y362-H366 AromaticContact CZ-CD2 3.74Å; Y362-H366 PolarHBondContact O-CD2 3.31Å; Y362-H366 PolarHBondContact O-N 2.84Å; H366-V368 HydrophobicContact CB-CG2 3.97Å; H366-V368 PolarHBondContact O-N 3.45Å |
| 367 | N | 97.1 | Very high | 96.2 | Very high | 123 Ų | 123 | 89.2 Ų | 89.2 | 66% | 0.658 | 45% | 0.452 | S | S | * | . | S | Bend | trans | 56.6 | 4.1 | -175.7 | -71.3 | 61.3 | 0 | 0 | 0 | 116.3 | Y363 | Y363-N367 WeakPolarHBondContact CE2-O 3.31Å; Y363-N367 WeakPolarHBondContact O-CA 3.27Å; Y363-N367 PolarHBondContact O-N 3.01Å |
| 368 | V | 97.2 | Very high | 95.8 | Very high | 81 Ų | 81 | 88.9 Ų | 88.9 | 49% | 0.491 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -117.9 | 157.5 | 177.8 | -63.5 | 0 | 0 | 0 | 0 | 112 | Y362 Y363 H366 | Y362-V368 WeakPolarHBondContact CD1-O 3.22Å; Y362-V368 HydrophobicContact CE1-CG2 4.11Å; Y363-V368 WeakPolarHBondContact CA-O 3.44Å; Y363-V368 WeakPolarHBondContact CD2-O 3.41Å; H366-V368 HydrophobicContact CB-CG2 3.97Å; H366-V368 PolarHBondContact O-N 3.45Å |
| 369 | N | 97 | Very high | 95.4 | Very high | 102 Ų | 102 | 90.8 Ų | 90.8 | 55% | 0.545 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 144.2 | 178.5 | -78.2 | 70.2 | 0 | 0 | 0 | 112.2 | N337 Y362 P371 | N337-N369 PolarHBondContact ND2-ND2 3.29Å; Y362-N369 WeakPolarHBondContact CE1-O 3.44Å; N369-P371 WeakPolarHBondContact O-CD 3.24Å |
| 370 | R | 97.6 | Very high | 95 | Very high | 43 Ų | 43 | 96.7 Ų | 96.7 | 16% | 0.162 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 123.1 | -179.6 | -167.7 | 176.3 | -177.6 | -79.8 | 1.6 | 110.2 | N337 C359 Y362 M374 | N337-R370 PolarHBondContact ND2-O 3.16Å; N337-R370 WeakPolarHBondContact OD1-CB 3.48Å; N337-R370 PolarHBondContact OD1-N 3.48Å; C359-R370 HydrophobicContact CB-CB 4.43Å; Y362-R370 HydrophobicContact CD1-CB 3.66Å; Y362-R370 HydrophobicContact CD1-CG 3.96Å; Y362-R370 HydrophobicContact CD2-CG 4.05Å; Y362-R370 HydrophobicContact CE1-CB 4.27Å; Y362-R370 HydrophobicContact CE1-CG 4.47Å; Y362-R370 HydrophobicContact CG-CB 3.85Å; Y362-R370 HydrophobicContact CG-CG 3.71Å; R370-M374 VanDerWaalsContact CZ-O 3.26Å; R370-M374 PolarHBondContact NH1-O 2.75Å; R370-M374 PolarHBondContact NH2-O 3.25Å |
| 371 | P | 97.1 | Very high | 94.4 | Very high | 50 Ų | 50 | 102.6 Ų | 102.6 | 33% | 0.325 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 143.3 | -179.1 | 27 | -34.2 | 0 | 0 | 0 | 110.9 | Y362 N369 T373 M374 | Y362-P371 WeakPolarHBondContact OH-CD 3.22Å; N369-P371 WeakPolarHBondContact O-CD 3.24Å; P371-T373 VanDerWaalsContact C-N 3.25Å; P371-T373 PolarHBondContact O-N 3.12Å; P371-M374 HydrophobicContact CG-CG 3.98Å; P371-M374 HydrophobicContact CG-SD 3.83Å; P371-M374 PolarHBondContact O-N 2.9Å |
| 372 | L | 96.1 | Very high | 93.7 | Very high | 99 Ų | 99 | 109.1 Ų | 109.1 | 52% | 0.518 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -68.5 | -24.3 | -176.6 | -64.1 | -179.7 | 0 | 0 | 0 | 112.6 | C338 M374 K375 | C338-L372 HydrophobicContact CB-CD2 3.93Å; L372-M374 PolarHBondContact O-N 2.94Å; L372-K375 WeakPolarHBondContact O-CB 3.19Å; L372-K375 PolarHBondContact O-N 3.33Å |
| 373 | T | 95.7 | Very high | 92.6 | Very high | 135 Ų | 135 | 114.6 Ų | 114.6 | 83% | 0.828 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -56.5 | -28.7 | 171.7 | 52.7 | 0 | 0 | 0 | 0 | 113.1 | P371 | P371-T373 VanDerWaalsContact C-N 3.25Å; P371-T373 PolarHBondContact O-N 3.12Å |
| 374 | M | 94.1 | Very high | 91.5 | Very high | 97 Ų | 97 | 120.3 Ų | 120.3 | 48% | 0.478 | 59% | 0.593 | S | S | . | * | G | 310 helix | trans | -86.4 | -0.7 | 175.2 | -59.8 | -179 | 88.8 | 0 | 0 | 113.2 | Y362 R370 P371 L372 K376 | Y362-M374 HydrophobicContact CD2-SD 4.45Å; Y362-M374 HydrophobicContact CE2-CE 4.49Å; Y362-M374 HydrophobicContact CE2-SD 3.83Å; R370-M374 VanDerWaalsContact CZ-O 3.26Å; R370-M374 PolarHBondContact NH1-O 2.75Å; R370-M374 PolarHBondContact NH2-O 3.25Å; P371-M374 HydrophobicContact CG-CG 3.98Å; P371-M374 HydrophobicContact CG-SD 3.83Å; P371-M374 PolarHBondContact O-N 2.9Å; L372-M374 PolarHBondContact O-N 2.94Å; M374-K376 PolarHBondContact O-N 2.92Å |
| 375 | K | 93.1 | Very high | 90.5 | Very high | 99 Ų | 99 | 122.1 Ų | 122.1 | 43% | 0.43 | 60% | 0.601 | S | S | . | * | | | trans | -70.1 | 120 | -179.9 | -178.3 | 178.9 | 170.8 | 175 | 0 | 109 | C338 L372 | C338-K375 HydrophobicContact CB-CD 4.41Å; C338-K375 VanDerWaalsContact O-CE 3.27Å; C338-K375 WeakPolarHBondContact O-CE 3.18Å; C338-K375 PolarHBondContact O-NZ 2.9Å; L372-K375 WeakPolarHBondContact O-CB 3.19Å; L372-K375 PolarHBondContact O-N 3.33Å |
| 376 | K | 92.9 | Very high | 88.8 | Confident | 139 Ų | 139 | 123.9 Ų | 123.9 | 60% | 0.604 | 61% | 0.608 | S | S | * | * | | | trans | -96 | 142.4 | 165.1 | -170.1 | 162.6 | -177.8 | 157.7 | 0 | 109 | M374 Q380 | M374-K376 PolarHBondContact O-N 2.92Å; K376-Q380 HydrophobicContact CD-CG 3.94Å |
| 377 | E | 88 | Confident | 86.7 | Confident | 174 Ų | 174 | 123.3 Ų | 123.3 | 81% | 0.813 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -61.1 | -63.5 | 175.3 | 176.9 | -76.6 | 145.1 | 0 | 0 | 110.2 | | |
| 378 | G | 87.4 | Confident | 84.9 | Confident | 28 Ų | 28 | 123 Ų | 123 | 29% | 0.289 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -84.2 | 145.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q380 | G378-Q380 PolarHBondContact O-N 3.14Š|
| 379 | I | 89.8 | Confident | 83.1 | Confident | 85 Ų | 85 | 127.7 Ų | 127.7 | 44% | 0.436 | 63% | 0.626 | S | S | . | * | | | trans | -66.8 | 114.3 | 170.2 | -61.3 | 178 | 0 | 0 | 0 | 109.6 | T344 T381 | T344-I379 HydrophobicContact CG2-CG2 3.63Å; I379-T381 PolarHBondContact O-N 3.06Å |
| 380 | Q | 88.8 | Confident | 81.2 | Confident | 130 Ų | 130 | 127 Ų | 127 | 61% | 0.607 | 63% | 0.63 | S | S | * | * | | | trans | -67.5 | 127.9 | 173.9 | -59.7 | -171.7 | 9.5 | 0 | 0 | 111.5 | K376 G378 | K376-Q380 HydrophobicContact CD-CG 3.94Å; G378-Q380 PolarHBondContact O-N 3.14Å |
| 381 | T | 84.2 | Confident | 79.2 | Confident | 139 Ų | 139 | 132.7 Ų | 132.7 | 85% | 0.853 | 66% | 0.656 | S | S | * | * | | | trans | -82.9 | 140.8 | 163.6 | 50.1 | 0 | 0 | 0 | 0 | 109.7 | I379 | I379-T381 PolarHBondContact O-N 3.06Š|
| 382 | R | 82.9 | Confident | 76.9 | Confident | 217 Ų | 217 | 138.8 Ų | 138.8 | 82% | 0.819 | 68% | 0.677 | S | S | * | * | | | trans | -127.3 | 131.4 | 168.4 | -62.5 | -178 | 80 | 177.3 | 5.4 | 107.4 | R384 | R382-R384 PolarHBondContact O-N 2.94Š|
| 383 | N | 75.5 | Confident | 74.7 | Confident | 167 Ų | 167 | 138.3 Ų | 138.3 | 89% | 0.893 | 68% | 0.682 | S | S | * | * | | | trans | -68.3 | 100.7 | -179.5 | -170.8 | 3.8 | 0 | 0 | 0 | 109.9 | K385 | N383-K385 PolarHBondContact O-N 2.83Š|
| 384 | R | 75.8 | Confident | 72.7 | Confident | 229 Ų | 229 | 139.7 Ų | 139.7 | 86% | 0.864 | 68% | 0.677 | S | S | * | * | | | trans | -80.4 | 104.9 | 179.7 | -80.7 | -178.6 | 157.1 | -167.6 | -8.2 | 109.5 | R382 M386 | R382-R384 PolarHBondContact O-N 2.94Å; R384-M386 PolarHBondContact O-N 2.89Å |
| 385 | K | 74.5 | Confident | 70.6 | Confident | 202 Ų | 202 | 144.9 Ų | 144.9 | 88% | 0.878 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 126.3 | 161.2 | -67.3 | -172.5 | 178 | -176.1 | 0 | 108.4 | N383 S387 | N383-K385 PolarHBondContact O-N 2.83Å; K385-S387 PolarHBondContact O-N 3.33Å |
| 386 | M | 63.2 | Low | 68.6 | Low | 167 Ų | 167 | 143.7 Ų | 143.7 | 82% | 0.823 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 127.2 | 178.6 | -179 | 61 | 77.6 | 0 | 0 | 109.2 | R384 N388 | R384-M386 PolarHBondContact O-N 2.89Å; M386-N388 PolarHBondContact O-N 3.36Å |
| 387 | S | 53.8 | Low | 66.7 | Low | 83 Ų | 83 | 141.4 Ų | 141.4 | 58% | 0.58 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -74 | 120.3 | 179.6 | -175.6 | 0 | 0 | 0 | 0 | 110 | K385 K389 | K385-S387 PolarHBondContact O-N 3.33Å; S387-K389 PolarHBondContact O-N 3.45Å |
| 388 | N | 58.5 | Low | 64.9 | Low | 117 Ų | 117 | 138.4 Ų | 138.4 | 63% | 0.626 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 6.1 | -180 | -78.1 | -41.1 | 0 | 0 | 0 | 114.7 | M386 S390 K391 | M386-N388 PolarHBondContact O-N 3.36Å; N388-S390 PolarHBondContact O-N 3.19Å; N388-K391 PolarHBondContact O-N 2.76Å |
| 389 | K | 59.6 | Low | 63 | Low | 179 Ų | 179 | 141.4 Ų | 141.4 | 78% | 0.778 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -51.1 | -30.9 | -178.8 | -167.2 | 73.7 | 173.1 | -177.8 | 0 | 113.2 | S387 | S387-K389 PolarHBondContact O-N 3.45Å |
| 390 | S | 57.5 | Low | 61.1 | Low | 89 Ų | 89 | 145.8 Ų | 145.8 | 62% | 0.622 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -70.4 | -23.4 | 178.3 | 51.2 | 0 | 0 | 0 | 0 | 115.1 | N388 | N388-S390 PolarHBondContact O-N 3.19Å |
| 391 | K | 54.5 | Low | 59.3 | Low | 162 Ų | 162 | 145.5 Ų | 145.5 | 70% | 0.704 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -73.6 | -30 | -179 | -82.3 | -173.6 | 173.1 | -178.1 | 0 | 113.9 | N388 | N388-K391 PolarHBondContact O-N 2.76Å |
| 392 | K | 49.4 | Very low | 57.6 | Low | 177 Ų | 177 | 146.3 Ų | 146.3 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -72.6 | -32.7 | -178.2 | -170.4 | 70.1 | 173.2 | -178.7 | 0 | 112.2 | K394 R395 | K392-K394 PolarHBondContact O-N 2.78Å; K392-R395 PolarHBondContact O-N 2.73Å |
| 393 | S | 49.8 | Very low | 56 | Low | 89 Ų | 89 | 143.8 Ų | 143.8 | 62% | 0.622 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -61.8 | -37.9 | -178.6 | -161.6 | 0 | 0 | 0 | 0 | 113.5 | R395 A396 | S393-R395 VanDerWaalsContact C-N 3.31Å; S393-R395 PolarHBondContact O-N 3.3Å; S393-A396 PolarHBondContact O-N 2.82Å |
| 394 | K | 52.8 | Low | 55.2 | Low | 165 Ų | 165 | 138.8 Ų | 138.8 | 72% | 0.717 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -70.4 | -25.9 | -173.8 | -160.9 | 168.4 | -175.8 | 179.8 | 0 | 113.1 | K392 A396 | K392-K394 PolarHBondContact O-N 2.78Å; K394-A396 VanDerWaalsContact C-N 3.3Å; K394-A396 PolarHBondContact O-N 2.87Å |
| 395 | R | 50.6 | Low | 54 | Low | 205 Ų | 205 | 135.1 Ų | 135.1 | 77% | 0.774 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -75.3 | -11.9 | 175.6 | -73.3 | -67.5 | -165.6 | 177.2 | 4.3 | 114.5 | K392 S393 | K392-R395 PolarHBondContact O-N 2.73Å; S393-R395 VanDerWaalsContact C-N 3.31Å; S393-R395 PolarHBondContact O-N 3.3Å |
| 396 | A | 51.4 | Low | 52.6 | Low | 74 Ų | 74 | 130.4 Ų | 130.4 | 61% | 0.612 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -88.6 | -19 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S393 K394 | S393-A396 PolarHBondContact O-N 2.82Å; K394-A396 VanDerWaalsContact C-N 3.3Å; K394-A396 PolarHBondContact O-N 2.87Å |
| 397 | S | 53.3 | Low | 52.1 | Low | 91 Ų | 91 | 129.4 Ų | 129.4 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -76.5 | -33.7 | -176.1 | -162.8 | 0 | 0 | 0 | 0 | 113.2 | S399 | S397-S399 VanDerWaalsContact C-N 3.32Å |
| 398 | D | 48.9 | Very low | 52 | Low | 111 Ų | 111 | 133.6 Ų | 133.6 | 59% | 0.594 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -12.5 | -175.5 | -52.4 | -48.2 | 0 | 0 | 0 | 112.4 | Y400 | D398-Y400 PolarHBondContact O-N 3.1Š|
| 399 | S | 48.1 | Very low | 51.1 | Low | 92 Ų | 92 | 134.8 Ų | 134.8 | 64% | 0.643 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 2.9 | -167.9 | -167.4 | 0 | 0 | 0 | 0 | 115.4 | S397 | S397-S399 VanDerWaalsContact C-N 3.32Š|
| 400 | Y | 49.1 | Very low | 50.3 | Low | 176 Ų | 176 | 135.9 Ų | 135.9 | 69% | 0.69 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | -24.8 | -173.6 | -164.9 | -96.7 | 0 | 0 | 0 | 113.9 | D398 S404 | D398-Y400 PolarHBondContact O-N 3.1Å; Y400-S404 PolarHBondContact O-OG 2.81Å |
| 401 | E | 52.4 | Low | 49.5 | Very low | 125 Ų | 125 | 137 Ų | 137 | 58% | 0.584 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -36.7 | 178.5 | -77.1 | -68 | 129.8 | 0 | 0 | 112.8 | S404 | E401-S404 PolarHBondContact O-N 3.49Š|
| 402 | E | 48.2 | Very low | 48.8 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 72% | 0.724 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -46.5 | -177.9 | -154.8 | 76.2 | -109.1 | 0 | 0 | 111.9 | S404 K405 | E402-S404 PolarHBondContact O-N 3.25Å; E402-K405 PolarHBondContact O-N 2.9Å |
| 403 | F | 48.1 | Very low | 48.1 | Very low | 164 Ų | 164 | 132.1 Ų | 132.1 | 72% | 0.719 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -26.9 | -176.5 | -167.9 | -103.9 | 0 | 0 | 0 | 112.8 | K405 | F403-K405 VanDerWaalsContact C-N 3.28Å; F403-K405 PolarHBondContact O-N 3.38Å |
| 404 | S | 59.4 | Low | 47.4 | Very low | 63 Ų | 63 | 137.6 Ų | 137.6 | 44% | 0.441 | 72% | 0.716 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.4 | -16.2 | -176.8 | -59.4 | 0 | 0 | 0 | 0 | 113.6 | Y400 E401 E402 | Y400-S404 PolarHBondContact O-OG 2.81Å; E401-S404 PolarHBondContact O-N 3.49Å; E402-S404 PolarHBondContact O-N 3.25Å |
| 405 | K | 50.9 | Low | 46.6 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 66% | 0.657 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -25.9 | -176.8 | -67.5 | 178.8 | -177 | 172.2 | 0 | 114.1 | E402 F403 L407 | E402-K405 PolarHBondContact O-N 2.9Å; F403-K405 VanDerWaalsContact C-N 3.28Å; F403-K405 PolarHBondContact O-N 3.38Å; K405-L407 PolarHBondContact O-N 2.86Å |
| 406 | S | 45.6 | Very low | 46 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -5.8 | -174.9 | -169.9 | 0 | 0 | 0 | 0 | 115 | | |
| 407 | L | 52.5 | Low | 45.2 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -4.5 | -171.1 | -117.1 | 173.7 | 0 | 0 | 0 | 115.2 | K405 | K405-L407 PolarHBondContact O-N 2.86Š|
| 408 | H | 50.8 | Low | 44.5 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -100.8 | -8.7 | -174.4 | -84.2 | 93.7 | 0 | 0 | 0 | 115.4 | | |
| 409 | D | 40.9 | Very low | 44.3 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -94.4 | -1.7 | -162.4 | -154.1 | -118.7 | 0 | 0 | 0 | 115.2 | | |
| 410 | K | 43.1 | Very low | 43.9 | Very low | 201 Ų | 201 | 137.8 Ų | 137.8 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | trans | -133.8 | 82.3 | -170 | -68.2 | -167.5 | 175.9 | -176.5 | 0 | 114.4 | | |
| 411 | S | 40.1 | Very low | 43.1 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | | | trans | -134.6 | 63.9 | 170.5 | 66.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 412 | S | 39.3 | Very low | 42.7 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | -174.3 | 113.8 | 154.5 | 45.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 413 | S | 35 | Very low | 42.1 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | | | trans | 169.5 | 143.5 | 134 | -77.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 414 | F | 35.5 | Very low | 41.7 | Very low | 203 Ų | 203 | 131.8 Ų | 131.8 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | | | trans | -85.8 | 147.4 | -173.8 | -82.3 | -112.6 | 0 | 0 | 0 | 113.2 | | |
| 415 | T | 35.8 | Very low | 40.7 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | | | | -171.4 | 170.4 | 113.4 | 21.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 416 | A | 37.9 | Very low | 39.8 | Very low | 91 Ų | 91 | 132.5 Ų | 132.5 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | | | trans | -121.1 | -166.2 | -159.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 417 | T | 34.4 | Very low | 39.4 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | | | trans | 91.1 | 125.4 | 178.4 | -38.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 418 | S | 38.8 | Very low | 38.8 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | | | cis | -163.2 | 153.3 | 1.8 | 42.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 419 | L | 44.3 | Very low | 39.3 | Very low | 174 Ų | 174 | 132.2 Ų | 132.2 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | | | trans | 41.2 | 135.7 | 131.3 | -157.4 | 78.3 | 0 | 0 | 0 | 119.9 | | |
| 420 | A | 39.3 | Very low | 39.8 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | | | cis | -168 | 173.2 | -13.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 421 | G | 33.7 | Very low | 39.3 | Very low | 68 Ų | 68 | 129.9 Ų | 129.9 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | cis | 176.7 | 172.9 | -5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 422 | H | 44.2 | Very low | 38.9 | Very low | 160 Ų | 160 | 127.1 Ų | 127.1 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | | | trans | 29.8 | 141.4 | 142.6 | -122.2 | -89.1 | 0 | 0 | 0 | 120.4 | | |
| 423 | M | 34.7 | Very low | 38.9 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | | | cis | -151.9 | 146.7 | 35.8 | -42.7 | -125.1 | 157.4 | 0 | 0 | 110.4 | | |
| 424 | T | 40.4 | Very low | 38.9 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | | 65.3 | 136.9 | 82.9 | -119.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 425 | M | 37.6 | Very low | 38.8 | Very low | 168 Ų | 168 | 123.8 Ų | 123.8 | 83% | 0.828 | 75% | 0.752 | S | S | * | * | | | cis | -167 | 152.1 | -7.4 | -135.8 | -72.3 | -69.4 | 0 | 0 | 113.2 | | |
| 426 | G | 33 | Very low | 39.1 | Very low | 62 Ų | 62 | 125.3 Ų | 125.3 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | | | trans | 81.5 | 178.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 427 | H | 35.6 | Very low | 39.1 | Very low | 168 Ų | 168 | 128.5 Ų | 128.5 | 78% | 0.778 | 75% | 0.747 | S | S | * | * | | | cis | -176.6 | 133.9 | -38.2 | 179.8 | -124.6 | 0 | 0 | 0 | 111 | | |
| 428 | L | 41.3 | Very low | 39.1 | Very low | 140 Ų | 140 | 128.8 Ų | 128.8 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | | | trans | 73.9 | 147.3 | 170.4 | -70.5 | 171.2 | 0 | 0 | 0 | 122.8 | | |
| 429 | P | 61.2 | Low | 39.2 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 69% | 0.688 | 75% | 0.746 | S | S | * | * | | | trans | -100.6 | -169.8 | 165.6 | 44.7 | -36.3 | 0 | 0 | 0 | 111.4 | | |
| 430 | P | 51.2 | Low | 39.5 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 61% | 0.61 | 74% | 0.74 | S | S | * | * | | | | -161.6 | 179.6 | 83.6 | 39.4 | -15.9 | 0 | 0 | 0 | 118.9 | | |
| 431 | F | 33.1 | Very low | 39.5 | Very low | 200 Ų | 200 | 129.9 Ų | 129.9 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | | | trans | 62.2 | 161.1 | 162.4 | -52 | -56 | 0 | 0 | 0 | 119.6 | | |
| 432 | G | 30.9 | Very low | 40.2 | Very low | 55 Ų | 55 | 132.6 Ų | 132.6 | 57% | 0.567 | 74% | 0.742 | S | S | * | * | | | cis | 170.9 | 168.7 | -9.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 433 | H | 38.9 | Very low | 40.2 | Very low | 169 Ų | 169 | 130.9 Ų | 130.9 | 78% | 0.782 | 74% | 0.743 | S | S | * | * | | | trans | 72 | 140.5 | 166.9 | -46.8 | -66.9 | 0 | 0 | 0 | 117.9 | | |
| 434 | T | 36.1 | Very low | 41.3 | Very low | 132 Ų | 132 | 128.8 Ų | 128.8 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | | | cis | 106 | 119.1 | 9.4 | 66.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 435 | G | 33.4 | Very low | 41.1 | Very low | 69 Ų | 69 | 131.3 Ų | 131.3 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | | | trans | 132.8 | 134.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 436 | H | 40.8 | Very low | 41.2 | Very low | 180 Ų | 180 | 130.5 Ų | 130.5 | 83% | 0.833 | 74% | 0.742 | S | S | * | * | | | cis | 123.9 | 113.4 | 2.9 | -90 | -83.2 | 0 | 0 | 0 | 113.2 | | |
| 437 | H | 38.3 | Very low | 42.1 | Very low | 157 Ų | 157 | 133.2 Ų | 133.2 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | trans | 86.6 | 133 | 140.9 | -117.8 | -140.2 | 0 | 0 | 0 | 123.6 | | |
| 438 | M | 35.1 | Very low | 42.3 | Very low | 143 Ų | 143 | 129 Ų | 129 | 70% | 0.704 | 74% | 0.738 | S | S | * | * | | | trans | 104.1 | 147.5 | 146.6 | -62.2 | -66.3 | 81.8 | 0 | 0 | 124.2 | | |
| 439 | L | 40.1 | Very low | 42.2 | Very low | 153 Ų | 153 | 133 Ų | 133 | 80% | 0.801 | 75% | 0.75 | S | S | * | * | | | trans | -96.9 | 178.4 | -179.7 | -79.7 | 164.2 | 0 | 0 | 0 | 109.6 | | |
| 440 | P | 51.4 | Low | 40.9 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | | | cis | -149.7 | -171.6 | 30.7 | 44.1 | -21.7 | 0 | 0 | 0 | 118.8 | | |
| 441 | T | 38.1 | Very low | 40.5 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | | | trans | -77.8 | 157 | 171.9 | -17.5 | 0 | 0 | 0 | 0 | 113 | | |
| 442 | P | 49.5 | Very low | 41.6 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | | | | -145.9 | -170.7 | 95.7 | 38.1 | -20.2 | 0 | 0 | 0 | 115.6 | | |
| 443 | T | 42.6 | Very low | 42.2 | Very low | 124 Ų | 124 | 136 Ų | 136 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | | | trans | -112.4 | -165 | -175.8 | 61.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 444 | P | 58.6 | Low | 42.2 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | cis | -130.9 | -165.8 | -20.2 | 38.9 | -20.1 | 0 | 0 | 0 | 113.1 | | |
| 445 | I | 36.3 | Very low | 42.7 | Very low | 167 Ų | 167 | 134 Ų | 134 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | | | trans | 174.3 | 153.3 | 136 | -90.5 | 156.6 | 0 | 0 | 0 | 111.6 | | |
| 446 | H | 39.9 | Very low | 43.4 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | trans | -147.1 | 145.7 | -179.8 | -167.9 | -104 | 0 | 0 | 0 | 110.8 | S448 | H446-S448 PolarHBondContact CE1-N 3.21Å; H446-S448 PolarHBondContact CE1-OG 3.42Å; H446-S448 VanDerWaalsContact CE1-OG 3.25Å; H446-S448 PolarHBondContact ND1-OG 3.11Å |
| 447 | P | 51.7 | Low | 43.6 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | | -141 | 148.7 | 117.3 | 32.6 | -17.2 | 0 | 0 | 0 | 112.7 | | |
| 448 | S | 39 | Very low | 44.2 | Very low | 79 Ų | 79 | 136.7 Ų | 136.7 | 55% | 0.552 | 77% | 0.766 | S | S | * | * | | | cis | 101.1 | 92.9 | 31.4 | -71.3 | 0 | 0 | 0 | 0 | 115.1 | H446 | H446-S448 PolarHBondContact CE1-N 3.21Å; H446-S448 PolarHBondContact CE1-OG 3.42Å; H446-S448 VanDerWaalsContact CE1-OG 3.25Å; H446-S448 PolarHBondContact ND1-OG 3.11Å |
| 449 | F | 39.9 | Very low | 45.1 | Very low | 225 Ų | 225 | 136 Ų | 136 | 99% | 0.987 | 77% | 0.77 | S | S | * | * | | | trans | -158.1 | 149.2 | 151.6 | -80 | -77.8 | 0 | 0 | 0 | 106.8 | | |
| 450 | G | 34.9 | Very low | 45.4 | Very low | 71 Ų | 71 | 132.7 Ų | 132.7 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | | | cis | -177 | 138.8 | -8.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 451 | H | 42.7 | Very low | 45.1 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | trans | -81.9 | 175.3 | -179.3 | -80.4 | -62.8 | 0 | 0 | 0 | 112.4 | | |
| 452 | P | 55.3 | Low | 45.8 | Very low | 123 Ų | 123 | 138 Ų | 138 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | | | cis | -128.4 | 168 | 21.3 | 27.2 | -2.4 | 0 | 0 | 0 | 116.4 | | |
| 453 | H | 43.6 | Very low | 45.6 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 69% | 0.694 | 82% | 0.816 | S | S | * | * | | | cis | 94.7 | 106.6 | 33.9 | -132.6 | -66.7 | 0 | 0 | 0 | 114.5 | | |
| 454 | H | 39.2 | Very low | 45.8 | Very low | 173 Ų | 173 | 139.5 Ų | 139.5 | 80% | 0.801 | 82% | 0.818 | S | S | * | * | | | trans | -144.7 | 134.1 | 153.7 | 166.1 | -115.7 | 0 | 0 | 0 | 108.8 | | |
| 455 | S | 47.2 | Very low | 45.1 | Very low | 86 Ų | 86 | 141.2 Ų | 141.2 | 60% | 0.601 | 83% | 0.825 | S | S | * | * | | | trans | -153.3 | 135.5 | 177.3 | 51.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 456 | N | 46.6 | Very low | 45.6 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 75% | 0.754 | 82% | 0.823 | S | S | * | * | | | trans | -144.1 | 147.4 | 170.8 | -148.8 | -2.7 | 0 | 0 | 0 | 111.8 | | |
| 457 | M | 46.6 | Very low | 46 | Very low | 172 Ų | 172 | 139 Ų | 139 | 85% | 0.847 | 83% | 0.831 | S | S | * | * | | | trans | -132.9 | 140.3 | 178.5 | -52.1 | -174.5 | -58.8 | 0 | 0 | 107 | | |
| 458 | V | 50.9 | Low | 45.6 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | | | trans | -145.3 | 155.5 | 169.4 | 105.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 459 | T | 53.6 | Low | 46.1 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 79% | 0.791 | 86% | 0.855 | S | S | * | * | | | trans | -131.4 | 160.2 | -166.5 | -48.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 460 | A | 46.4 | Very low | 46.5 | Very low | 83 Ų | 83 | 138.5 Ų | 138.5 | 69% | 0.686 | 85% | 0.845 | S | S | * | * | | | trans | 86.5 | 135.2 | 154.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 461 | M | 45.5 | Very low | 47.5 | Very low | 193 Ų | 193 | 144.2 Ų | 144.2 | 95% | 0.951 | 85% | 0.854 | S | S | * | * | | | trans | 59.3 | 117.3 | 138.9 | -60.8 | -72.7 | -77.8 | 0 | 0 | 119.9 | | |
| 462 | G | 52.5 | Low | 47.9 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 100% | 1.619 | 86% | 0.858 | S | S | * | * | | | trans | -167.8 | 0 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |