| 1 | M | 29.3 | Very low | 27.7 | Very low | 236 Ų | 236 | 153.1 Ų | 153.1 | 100% | 1.163 | 80% | 0.802 | S | S | * | * | | | | 0 | 115.5 | 0 | -77.3 | -177.1 | -171.1 | 0 | 0 | 106.1 | | |
| 2 | N | 28.3 | Very low | 27.6 | Very low | 142 Ų | 142 | 154.1 Ų | 154.1 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | | | cis | 51.2 | 109.1 | 41.2 | -67.2 | -1.1 | 0 | 0 | 0 | 110.4 | | |
| 3 | Q | 29.9 | Very low | 27.7 | Very low | 162 Ų | 162 | 155 Ų | 155 | 76% | 0.757 | 81% | 0.813 | S | S | * | * | | | cis | -126.5 | 158.8 | 19.6 | -81.2 | 135.1 | 100.1 | 0 | 0 | 111 | | |
| 4 | L | 27.4 | Very low | 27.7 | Very low | 153 Ų | 153 | 154.5 Ų | 154.5 | 80% | 0.801 | 81% | 0.812 | S | S | * | * | | | cis | 68.5 | 156 | 43.9 | -146.5 | 77.7 | 0 | 0 | 0 | 112.1 | | |
| 5 | L | 28.7 | Very low | 27.9 | Very low | 119 Ų | 119 | 153.9 Ų | 153.9 | 62% | 0.623 | 81% | 0.81 | S | S | * | * | | | trans | 74.8 | 95.2 | 175.4 | -86.3 | 56.8 | 0 | 0 | 0 | 118.5 | | |
| 6 | M | 27.1 | Very low | 28 | Very low | 177 Ų | 177 | 151.6 Ų | 151.6 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | | | trans | 80.9 | 139.8 | 130.7 | -48.7 | -43 | 171.1 | 0 | 0 | 121 | | |
| 7 | G | 29.6 | Very low | 28.1 | Very low | 66 Ų | 66 | 150.6 Ų | 150.6 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | | | cis | -178.2 | 155.3 | -6.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 8 | T | 25.9 | Very low | 28.2 | Very low | 139 Ų | 139 | 153 Ų | 153 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | trans | -79.9 | 115.7 | 169.7 | 47.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 9 | Y | 25.2 | Very low | 28.2 | Very low | 207 Ų | 207 | 152.9 Ų | 152.9 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | | | trans | -127.2 | 119.1 | 155.1 | -95.1 | -87.6 | 0 | 0 | 0 | 109.3 | | |
| 10 | Q | 27.8 | Very low | 28.1 | Very low | 162 Ų | 162 | 151.8 Ų | 151.8 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | | | trans | 17.6 | 140.3 | 133.4 | -62.1 | 167.4 | -36.2 | 0 | 0 | 117.2 | | |
| 11 | T | 25.4 | Very low | 28.2 | Very low | 121 Ų | 121 | 151 Ų | 151 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | cis | -146.2 | 160.2 | 38.8 | 49 | 0 | 0 | 0 | 0 | 113.6 | | |
| 12 | N | 26.6 | Very low | 28 | Very low | 165 Ų | 165 | 147 Ų | 147 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | | | | -162.5 | 129.1 | 122.3 | -106.9 | -39.6 | 0 | 0 | 0 | 110 | | |
| 13 | L | 29.2 | Very low | 27.9 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | | | trans | -138.4 | 128.3 | 179.9 | -124.2 | 164.6 | 0 | 0 | 0 | 107.4 | | |
| 14 | N | 28 | Very low | 27.7 | Very low | 148 Ų | 148 | 141 Ų | 141 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | trans | -65.2 | 139 | 178.9 | -64.8 | -40.4 | 0 | 0 | 0 | 110.5 | | |
| 15 | N | 30 | Very low | 27.6 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | | | trans | -169.5 | 143.4 | 130.3 | -102.4 | -29.1 | 0 | 0 | 0 | 116 | | |
| 16 | T | 29.7 | Very low | 27.8 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | | | trans | 46.1 | 94.9 | 151 | 56.9 | 0 | 0 | 0 | 0 | 120.4 | | |
| 17 | T | 29.6 | Very low | 28.2 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | | | | -4.4 | 120 | 127.3 | 51.3 | 0 | 0 | 0 | 0 | 118.3 | | |
| 18 | K | 29.9 | Very low | 28.1 | Very low | 194 Ų | 194 | 140.7 Ų | 140.7 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | | | trans | -169.7 | 144.3 | 142.3 | -101.5 | -179 | 178.2 | 177.3 | 0 | 106.7 | | |
| 19 | E | 27.5 | Very low | 28.2 | Very low | 151 Ų | 151 | 138.8 Ų | 138.8 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | cis | -167.5 | -178.6 | -19.1 | -147.4 | 179.6 | 163.5 | 0 | 0 | 106.3 | | |
| 20 | L | 27.9 | Very low | 28.4 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | | | trans | 67.7 | 115.2 | 156.2 | -68.6 | 160.7 | 0 | 0 | 0 | 120.3 | | |
| 21 | L | 28.6 | Very low | 28.4 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 71% | 0.707 | 76% | 0.756 | S | S | * | * | | | trans | 77.3 | 131.6 | 144 | -55.1 | 169.5 | 0 | 0 | 0 | 116.5 | | |
| 22 | L | 25.8 | Very low | 28.4 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | | | | 58.4 | 129.8 | 59.3 | -74.3 | 75.4 | 0 | 0 | 0 | 111.5 | | |
| 23 | S | 25.9 | Very low | 28.4 | Very low | 95 Ų | 95 | 130.2 Ų | 130.2 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | | | cis | -168.3 | -174.9 | -0.2 | 49.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 24 | S | 25.9 | Very low | 28.7 | Very low | 82 Ų | 82 | 129.7 Ų | 129.7 | 57% | 0.573 | 75% | 0.745 | S | S | * | * | | | trans | 57.8 | 123 | 139.3 | 60.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 25 | Q | 25.9 | Very low | 28.8 | Very low | 183 Ų | 183 | 127.9 Ų | 127.9 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | | | trans | 80.1 | 117.6 | 132 | -66.4 | 168 | 4.4 | 0 | 0 | 120.5 | | |
| 26 | S | 31.7 | Very low | 28.7 | Very low | 104 Ų | 104 | 127 Ų | 127 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | | | trans | -42.3 | 162.2 | 138.8 | 58.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 27 | P | 35.4 | Very low | 28.5 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | | | cis | -155.2 | -175.4 | 38.8 | 44.1 | -23.2 | 0 | 0 | 0 | 118.5 | | |
| 28 | S | 27.5 | Very low | 28.3 | Very low | 115 Ų | 115 | 124.1 Ų | 124.1 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | | | trans | 73.6 | 158 | 155.8 | 82 | 0 | 0 | 0 | 0 | 116.9 | | |
| 29 | S | 29.4 | Very low | 28 | Very low | 99 Ų | 99 | 118.9 Ų | 118.9 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | | | cis | -145.2 | 155.3 | 12.2 | 54.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 30 | S | 28.2 | Very low | 27.9 | Very low | 94 Ų | 94 | 119.8 Ų | 119.8 | 66% | 0.657 | 72% | 0.721 | S | S | * | * | | | trans | 45.2 | 104.7 | 154.5 | 56.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 31 | S | 28.6 | Very low | 27.6 | Very low | 124 Ų | 124 | 118.8 Ų | 118.8 | 87% | 0.867 | 72% | 0.72 | S | S | * | * | | | | -108.5 | 139.8 | 110.9 | 56.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 32 | L | 25.8 | Very low | 27.4 | Very low | 146 Ų | 146 | 122.5 Ų | 122.5 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | | | trans | -88.4 | 130.9 | -178.6 | -105.4 | 99.7 | 0 | 0 | 0 | 111.1 | | |
| 33 | T | 26 | Very low | 27.3 | Very low | 111 Ų | 111 | 126.3 Ų | 126.3 | 68% | 0.681 | 73% | 0.73 | S | S | * | * | | | trans | 52.5 | 115.2 | 151.8 | 54.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 34 | L | 35.7 | Very low | 27.1 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | | | | 55.4 | 140.7 | 65.3 | -65.4 | 174.3 | 0 | 0 | 0 | 112.1 | | |
| 35 | P | 31.1 | Very low | 27 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | | | cis | -150.7 | 170.3 | 46.6 | 44.5 | -25.5 | 0 | 0 | 0 | 119 | | |
| 36 | V | 26.5 | Very low | 27.1 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 78% | 0.782 | 73% | 0.727 | S | S | * | * | | | trans | 64.1 | 132.9 | 136.8 | 157.9 | 0 | 0 | 0 | 0 | 118 | | |
| 37 | S | 25.1 | Very low | 26.8 | Very low | 84 Ų | 84 | 127 Ų | 127 | 59% | 0.587 | 71% | 0.709 | S | S | * | * | | | cis | -172.5 | -176.7 | -12.3 | 55.1 | 0 | 0 | 0 | 0 | 108 | | |
| 38 | S | 25.5 | Very low | 26.6 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | | | trans | 57.2 | 149.9 | 141.7 | 61.4 | 0 | 0 | 0 | 0 | 119.9 | | |
| 39 | S | 24.4 | Very low | 26.6 | Very low | 84 Ų | 84 | 127 Ų | 127 | 59% | 0.587 | 69% | 0.694 | S | S | * | * | | | cis | 174.3 | -169.9 | -8.4 | 177.5 | 0 | 0 | 0 | 0 | 104.2 | | |
| 40 | F | 24.8 | Very low | 26.5 | Very low | 170 Ų | 170 | 129.6 Ų | 129.6 | 75% | 0.746 | 70% | 0.701 | S | S | * | * | | | trans | 64.3 | 95 | 160.8 | -61.1 | -65.1 | 0 | 0 | 0 | 116.2 | | |
| 41 | T | 22.5 | Very low | 26.6 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 68% | 0.675 | 71% | 0.712 | S | S | * | * | | | | 69 | 132.8 | 82.3 | 63.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 42 | Y | 24.1 | Very low | 26.5 | Very low | 213 Ų | 213 | 135.3 Ų | 135.3 | 84% | 0.835 | 71% | 0.708 | S | S | * | * | | | trans | 39.4 | 97.6 | 143.1 | -79.2 | -93 | 0 | 0 | 0 | 118.8 | | |
| 43 | R | 22.7 | Very low | 26.6 | Very low | 231 Ų | 231 | 134.2 Ų | 134.2 | 87% | 0.872 | 70% | 0.703 | S | S | * | * | | | | -156.7 | 129.1 | 124.1 | -94.2 | 144.4 | -155.1 | -91.3 | 3.2 | 106.9 | | |
| 44 | L | 23.4 | Very low | 26.6 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | | | | 65 | 128.6 | 61.8 | -84.7 | 169.4 | 0 | 0 | 0 | 113.6 | | |
| 45 | I | 23.9 | Very low | 26.1 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 73% | 0.728 | 71% | 0.71 | S | S | * | * | | | trans | 75.4 | 133.4 | 160.4 | -61.6 | 157.4 | 0 | 0 | 0 | 115.4 | | |
| 46 | E | 26 | Very low | 25.8 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 55% | 0.547 | 71% | 0.713 | S | S | . | * | | | cis | -174.7 | 175.2 | -24.8 | -143.2 | 168.4 | -118.6 | 0 | 0 | 108.7 | | |
| 47 | Q | 26.7 | Very low | 26 | Very low | 77 Ų | 77 | 142.9 Ų | 142.9 | 36% | 0.36 | 71% | 0.709 | S | S | . | * | | | trans | 81.5 | 114.1 | 148.8 | -76.7 | 163.2 | 57.3 | 0 | 0 | 121.6 | S1269 N1270 | Q47-S1269 PolarHBondContact NE2-OG 3.39Å; Q47-N1270 HydrophobicContact CG-CB 3.61Å |
| 48 | N | 31.7 | Very low | 26.1 | Very low | 93 Ų | 93 | 143.6 Ų | 143.6 | 50% | 0.497 | 70% | 0.703 | S | S | . | * | | | trans | 78.4 | 78.1 | 144.7 | -46.5 | -25 | 0 | 0 | 0 | 114.1 | N1270 | N48-N1270 PolarHBondContact ND2-ND2 3.01Å; N48-N1270 PolarHBondContact OD1-ND2 2.62Å |
| 49 | D | 27 | Very low | 26.3 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 69% | 0.69 | 71% | 0.708 | S | S | * | * | | | cis | 73.8 | 134 | 39.8 | -49.2 | -54.9 | 0 | 0 | 0 | 115 | | |
| 50 | N | 26.9 | Very low | 26.4 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 83% | 0.829 | 71% | 0.712 | S | S | * | * | | | trans | 68.3 | 113.3 | 175.6 | -53.7 | -22.4 | 0 | 0 | 0 | 116.1 | | |
| 51 | E | 30.8 | Very low | 26.4 | Very low | 192 Ų | 192 | 145 Ų | 145 | 90% | 0.897 | 71% | 0.713 | S | S | * | * | | | cis | -130.9 | 149.1 | 5 | -65.4 | -172.3 | 135.9 | 0 | 0 | 112.9 | | |
| 52 | D | 26.5 | Very low | 26.8 | Very low | 146 Ų | 146 | 146.7 Ų | 146.7 | 78% | 0.781 | 72% | 0.717 | S | S | * | * | | | trans | -80.9 | 147.3 | 170.4 | -79.6 | -56.8 | 0 | 0 | 0 | 112.7 | | |
| 53 | N | 26.8 | Very low | 26.8 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 66% | 0.658 | 71% | 0.712 | S | S | * | * | | | trans | 57.3 | 119 | 162.5 | -55.5 | -53.8 | 0 | 0 | 0 | 117.8 | | |
| 54 | K | 27.2 | Very low | 26.9 | Very low | 206 Ų | 206 | 140 Ų | 140 | 90% | 0.896 | 71% | 0.705 | S | S | * | * | | | cis | 53.5 | 56.9 | -0.1 | -150.4 | -179.7 | -173.5 | 177.5 | 0 | 117.6 | | |
| 55 | F | 24.5 | Very low | 27.2 | Very low | 168 Ų | 168 | 139 Ų | 139 | 74% | 0.737 | 70% | 0.701 | S | S | * | * | | | trans | -124.9 | 98.4 | 151.7 | -116.3 | -75.8 | 0 | 0 | 0 | 112.9 | | |
| 56 | M | 25.9 | Very low | 27.5 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 78% | 0.778 | 70% | 0.7 | S | S | * | * | | | trans | -83.6 | 126.6 | 157.5 | -154.7 | -161.8 | 87.1 | 0 | 0 | 107.6 | | |
| 57 | H | 29.8 | Very low | 27.6 | Very low | 153 Ų | 153 | 142 Ų | 142 | 71% | 0.708 | 71% | 0.712 | S | S | * | * | | | trans | 31.3 | 93.7 | 140.8 | -174.3 | -65.8 | 0 | 0 | 0 | 117.4 | | |
| 58 | H | 27.4 | Very low | 27.9 | Very low | 100 Ų | 100 | 147.1 Ų | 147.1 | 46% | 0.463 | 73% | 0.733 | S | S | . | * | | | trans | -167.4 | 127.9 | 147.6 | -113.3 | -57 | 0 | 0 | 0 | 114.5 | Q60 | H58-Q60 HydrophobicContact CB-CB 4.5Å; H58-Q60 HydrophobicContact CB-CG 3.83Å |
| 59 | A | 30 | Very low | 27.9 | Very low | 101 Ų | 101 | 148 Ų | 148 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | | | | -83.3 | 114.5 | 127.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 60 | Q | 25.4 | Very low | 28 | Very low | 144 Ų | 144 | 149.2 Ų | 149.2 | 67% | 0.673 | 75% | 0.75 | S | S | * | * | | | trans | -82.7 | 126.8 | -175.4 | -100.3 | 152.8 | -2.1 | 0 | 0 | 111.6 | H58 | H58-Q60 HydrophobicContact CB-CB 4.5Å; H58-Q60 HydrophobicContact CB-CG 3.83Å |
| 61 | L | 26.3 | Very low | 28 | Very low | 145 Ų | 145 | 147.6 Ų | 147.6 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | | | trans | 179.1 | 150.8 | 135.4 | -95.5 | 158 | 0 | 0 | 0 | 109.8 | | |
| 62 | N | 29.9 | Very low | 27.7 | Very low | 144 Ų | 144 | 144 Ų | 144 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | | | trans | 52.7 | 82.2 | 175.6 | -55.3 | -18 | 0 | 0 | 0 | 114.4 | | |
| 63 | F | 25 | Very low | 27.7 | Very low | 166 Ų | 166 | 143.9 Ų | 143.9 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | | | cis | 59.3 | 117.1 | 44 | -105 | -90.3 | 0 | 0 | 0 | 114.4 | | |
| 64 | L | 25 | Very low | 27.6 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | | | trans | 59.2 | 99.5 | 159.7 | -66.8 | 163 | 0 | 0 | 0 | 119.7 | | |
| 65 | N | 29.5 | Very low | 27.5 | Very low | 124 Ų | 124 | 140 Ų | 140 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | | | | -165.6 | 118.6 | 99.9 | -92.1 | -54.9 | 0 | 0 | 0 | 110.4 | | |
| 66 | K | 29.2 | Very low | 27.6 | Very low | 164 Ų | 164 | 137 Ų | 137 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | | | | 70.4 | 103 | 107.5 | -66.7 | -179.4 | -169.5 | 155.8 | 0 | 114.3 | | |
| 67 | I | 28.9 | Very low | 28 | Very low | 158 Ų | 158 | 132.3 Ų | 132.3 | 81% | 0.81 | 70% | 0.7 | S | S | * | * | | | | 83.1 | 113.9 | 78.5 | -74.2 | 169 | 0 | 0 | 0 | 112.3 | | |
| 68 | K | 32.6 | Very low | 27.9 | Very low | 183 Ų | 183 | 129.6 Ų | 129.6 | 80% | 0.796 | 70% | 0.696 | S | S | * | * | | | trans | 1.6 | 149.9 | 144 | -78.9 | -176.7 | 179.8 | -176.8 | 0 | 118.5 | | |
| 69 | P | 31.4 | Very low | 27.8 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | | | cis | -141.2 | 176.7 | 42.9 | 41.9 | -24.6 | 0 | 0 | 0 | 117.9 | | |
| 70 | L | 29.2 | Very low | 27.6 | Very low | 154 Ų | 154 | 130.5 Ų | 130.5 | 81% | 0.806 | 70% | 0.698 | S | S | * | * | | | trans | -69.1 | 130.7 | 157.9 | -73.9 | 70.4 | 0 | 0 | 0 | 109.3 | | |
| 71 | T | 26.8 | Very low | 27.6 | Very low | 122 Ų | 122 | 129 Ų | 129 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | | | trans | -152 | 115 | 142 | 26 | 0 | 0 | 0 | 0 | 105.7 | | |
| 72 | T | 24.7 | Very low | 27.5 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | | | | 85.8 | 144 | 63.1 | -66.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 73 | I | 25.5 | Very low | 27.5 | Very low | 144 Ų | 144 | 127.2 Ų | 127.2 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | | | trans | 76.1 | 105.3 | -174.8 | -69.9 | 147.8 | 0 | 0 | 0 | 112.4 | | |
| 74 | I | 25 | Very low | 27.5 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 67% | 0.667 | 70% | 0.697 | S | S | * | * | | | | 91.1 | 109.8 | 51.8 | -70.5 | 165 | 0 | 0 | 0 | 111.2 | | |
| 75 | T | 24.8 | Very low | 27.6 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 72% | 0.724 | 70% | 0.699 | S | S | * | * | | | trans | 62.6 | 168.7 | 163.8 | 65 | 0 | 0 | 0 | 0 | 115.7 | | |
| 76 | T | 26.5 | Very low | 27.5 | Very low | 105 Ų | 105 | 124.7 Ų | 124.7 | 64% | 0.644 | 70% | 0.697 | S | S | * | * | | | cis | -130.8 | 148.4 | 6.8 | 22 | 0 | 0 | 0 | 0 | 111.3 | | |
| 77 | I | 35.2 | Very low | 27.4 | Very low | 59 Ų | 59 | 126 Ų | 126 | 30% | 0.303 | 70% | 0.703 | S | S | . | * | | | trans | -68.3 | 147.4 | 151.4 | -35.3 | 88.6 | 0 | 0 | 0 | 107.3 | Q1657 S1658 | I77-Q1657 HydrophobicContact CD1-CB 3.69Å; I77-Q1657 HydrophobicContact CD1-CG 4.31Å; I77-Q1657 HydrophobicContact CG1-CB 4Å; I77-Q1657 HydrophobicContact CG1-CG 4.07Å; I77-Q1657 HydrophobicContact CG2-CG 4.45Å; I77-S1658 WeakPolarHBondContact CD1-O 3.35Å; I77-S1658 WeakPolarHBondContact CG1-O 3.27Å |
| 78 | P | 28.2 | Very low | 27.4 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 63% | 0.63 | 69% | 0.694 | S | S | * | * | | | | -135.2 | 140.7 | 128.9 | 37.2 | -28.3 | 0 | 0 | 0 | 113.4 | | |
| 79 | T | 25.5 | Very low | 27.7 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 70% | 0.699 | 70% | 0.7 | S | S | * | * | | | trans | 60 | 115.7 | 142.1 | 55.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 80 | V | 24.7 | Very low | 28 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | | | | 53.4 | 101.2 | 50.2 | -170.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 81 | T | 25.6 | Very low | 27.8 | Very low | 113 Ų | 113 | 123.1 Ų | 123.1 | 69% | 0.693 | 70% | 0.695 | S | S | * | * | | | | -171.1 | 131.1 | 121.3 | 33.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 82 | N | 25.4 | Very low | 27.7 | Very low | 141 Ų | 141 | 122.4 Ų | 122.4 | 75% | 0.754 | 69% | 0.691 | S | S | * | * | | | trans | 51.4 | 134.7 | 135.3 | -42.2 | -11.4 | 0 | 0 | 0 | 118 | | |
| 83 | T | 28.4 | Very low | 27.6 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 68% | 0.681 | 69% | 0.693 | S | S | * | * | | | cis | -152.5 | 146.2 | 34.3 | 45.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 84 | D | 25.6 | Very low | 27.6 | Very low | 145 Ų | 145 | 123.5 Ų | 123.5 | 78% | 0.775 | 69% | 0.692 | S | S | * | * | | | trans | 53.5 | 144.7 | 130.5 | -50.1 | -24.7 | 0 | 0 | 0 | 120.7 | | |
| 85 | V | 27.3 | Very low | 27.5 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 76% | 0.758 | 70% | 0.698 | S | S | * | * | | | cis | -156.7 | 165.8 | -0.3 | 112.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 86 | T | 26.4 | Very low | 27.6 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 63% | 0.632 | 70% | 0.696 | S | S | * | * | | | trans | -36.3 | 151.2 | -178.2 | 62 | 0 | 0 | 0 | 0 | 121.8 | | |
| 87 | K | 28.7 | Very low | 27.5 | Very low | 193 Ų | 193 | 124.6 Ų | 124.6 | 84% | 0.839 | 70% | 0.698 | S | S | * | * | | | | 45.3 | 146.3 | 126.1 | -60 | 178.8 | -177.8 | -177.5 | 0 | 120.3 | | |
| 88 | S | 28.7 | Very low | 27.1 | Very low | 89 Ų | 89 | 129.4 Ų | 129.4 | 62% | 0.622 | 72% | 0.719 | S | S | * | * | | | cis | -176.8 | 152.2 | -3.1 | 45.2 | 0 | 0 | 0 | 0 | 112.1 | P90 | S88-P90 WeakPolarHBondContact O-CD 3.33Š|
| 89 | L | 38.7 | Very low | 27 | Very low | 175 Ų | 175 | 128.9 Ų | 128.9 | 92% | 0.916 | 72% | 0.718 | S | S | * | * | | | trans | 52 | -100.1 | 160.6 | -75.9 | 82.5 | 0 | 0 | 0 | 119.8 | | |
| 90 | P | 38 | Very low | 27.2 | Very low | 94 Ų | 94 | 130 Ų | 130 | 61% | 0.61 | 72% | 0.72 | S | S | * | * | | | trans | -86.8 | 169.7 | -140.6 | -10.9 | 30.7 | 0 | 0 | 0 | 114.9 | S88 | S88-P90 WeakPolarHBondContact O-CD 3.33Š|
| 91 | F | 23.7 | Very low | 27.3 | Very low | 187 Ų | 187 | 132 Ų | 132 | 82% | 0.82 | 72% | 0.724 | S | S | * | * | | | trans | 38.7 | 96.1 | 164.5 | -70.5 | -82.5 | 0 | 0 | 0 | 115.8 | | |
| 92 | T | 24.4 | Very low | 27.5 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 66% | 0.663 | 72% | 0.72 | S | S | * | * | | | | 33.1 | 121.9 | 90.8 | 70.3 | 0 | 0 | 0 | 0 | 115 | | |
| 93 | N | 24.3 | Very low | 27.6 | Very low | 139 Ų | 139 | 131.2 Ų | 131.2 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | | | trans | 77 | 116.9 | 158.8 | -62.5 | -18.2 | 0 | 0 | 0 | 119.7 | | |
| 94 | I | 23.8 | Very low | 27.6 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 73% | 0.728 | 71% | 0.711 | S | S | * | * | | | | 75.9 | 117.7 | 125.6 | -63.6 | 171.5 | 0 | 0 | 0 | 118.2 | | |
| 95 | L | 24.2 | Very low | 27.8 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | | | trans | 32.8 | 129.9 | 147.7 | -78.6 | 77.1 | 0 | 0 | 0 | 121.4 | | |
| 96 | S | 25.6 | Very low | 27.9 | Very low | 96 Ų | 96 | 129.5 Ų | 129.5 | 67% | 0.671 | 70% | 0.697 | S | S | * | * | | | trans | 67.3 | 126.2 | 136.8 | 61.8 | 0 | 0 | 0 | 0 | 122.5 | | |
| 97 | D | 25.6 | Very low | 28.1 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 70% | 0.695 | 70% | 0.698 | S | S | * | * | | | trans | 79.1 | 105.8 | 135.4 | -69.1 | -46.6 | 0 | 0 | 0 | 123.7 | | |
| 98 | Q | 26.1 | Very low | 28.1 | Very low | 159 Ų | 159 | 127.8 Ų | 127.8 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | | | | 76.8 | 92.1 | 121.8 | -67.5 | 178.4 | 59.7 | 0 | 0 | 122.7 | | |
| 99 | S | 26 | Very low | 28.1 | Very low | 87 Ų | 87 | 127.8 Ų | 127.8 | 61% | 0.608 | 69% | 0.693 | S | S | * | * | | | | 70.7 | 146.2 | 112.6 | 79.5 | 0 | 0 | 0 | 0 | 123.2 | | |
| 100 | N | 29 | Very low | 27.6 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 73% | 0.733 | 68% | 0.682 | S | S | * | * | | | trans | 72.6 | 144 | 148.4 | -65.5 | -20.6 | 0 | 0 | 0 | 117.7 | | |
| 101 | M | 28.2 | Very low | 27.2 | Very low | 147 Ų | 147 | 127.4 Ų | 127.4 | 72% | 0.724 | 69% | 0.686 | S | S | * | * | | | cis | -167 | 169.1 | -1 | -125.4 | 179.2 | 155.7 | 0 | 0 | 113.2 | | |
| 102 | I | 28.7 | Very low | 27.5 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 62% | 0.615 | 69% | 0.688 | S | S | * | * | | | trans | 79.2 | 101.2 | 141.1 | -78 | 169.3 | 0 | 0 | 0 | 120.1 | | |
| 103 | N | 28.5 | Very low | 27.7 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 63% | 0.626 | 70% | 0.697 | S | S | * | * | | | | 82.8 | 115.4 | 114.4 | -68.4 | 8.2 | 0 | 0 | 0 | 123.9 | | |
| 104 | N | 29 | Very low | 27.9 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 62% | 0.615 | 70% | 0.702 | S | S | * | * | | | | 101.9 | 113.5 | 106.9 | -74 | 7.9 | 0 | 0 | 0 | 122.3 | | |
| 105 | N | 29.4 | Very low | 28.3 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 59% | 0.588 | 69% | 0.691 | S | S | * | * | | | | 95.6 | 115.2 | 115 | -69.4 | -0.5 | 0 | 0 | 0 | 121 | | |
| 106 | N | 28.8 | Very low | 28.5 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 65% | 0.647 | 69% | 0.689 | S | S | * | * | | | | 58 | 135.4 | 117.3 | -42 | -14.7 | 0 | 0 | 0 | 118.2 | | |
| 107 | N | 31.1 | Very low | 28.8 | Very low | 124 Ų | 124 | 129 Ų | 129 | 66% | 0.663 | 69% | 0.69 | S | S | * | * | | | | -166.6 | 150.9 | 52.5 | -86.7 | -77.9 | 0 | 0 | 0 | 111.8 | | |
| 108 | N | 29 | Very low | 29 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 72% | 0.722 | 69% | 0.686 | S | S | * | * | | | | 50.3 | 151.2 | 129 | -53.1 | -3.4 | 0 | 0 | 0 | 122.4 | | |
| 109 | S | 27.3 | Very low | 29.1 | Very low | 89 Ų | 89 | 127.7 Ų | 127.7 | 62% | 0.622 | 69% | 0.688 | S | S | * | * | | | cis | -176 | 175.9 | -17.7 | -86.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 110 | N | 28.7 | Very low | 29.3 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 69% | 0.69 | 69% | 0.693 | S | S | * | * | | | trans | 85.4 | 118.8 | 151.4 | -72.8 | 21.1 | 0 | 0 | 0 | 120.3 | | |
| 111 | D | 30.2 | Very low | 29.1 | Very low | 132 Ų | 132 | 128.8 Ų | 128.8 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | | | trans | 65.4 | 142.4 | 131 | -44.2 | -29.8 | 0 | 0 | 0 | 119.9 | | |
| 112 | Q | 30.2 | Very low | 29.1 | Very low | 182 Ų | 182 | 129.8 Ų | 129.8 | 85% | 0.85 | 70% | 0.701 | S | S | * | * | | | cis | -153 | 178.9 | 7 | -142.9 | 168 | -3.9 | 0 | 0 | 112.7 | | |
| 113 | F | 28.2 | Very low | 29.1 | Very low | 195 Ų | 195 | 128.9 Ų | 128.9 | 86% | 0.855 | 71% | 0.705 | S | S | * | * | | | trans | -64.6 | 172.5 | 176.1 | -78 | -112.3 | 0 | 0 | 0 | 113 | | |
| 114 | D | 27.9 | Very low | 29.1 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 84% | 0.84 | 72% | 0.718 | S | S | * | * | | | cis | -163.3 | 173.7 | 28.9 | -155.7 | -8.6 | 0 | 0 | 0 | 112.3 | | |
| 115 | G | 32.1 | Very low | 29.1 | Very low | 50 Ų | 50 | 132.7 Ų | 132.7 | 52% | 0.515 | 72% | 0.724 | S | S | . | * | | | trans | 124.2 | 78.7 | 150.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 116 | T | 29.8 | Very low | 29 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | | | trans | 53.9 | 124.7 | 135.8 | 56 | 0 | 0 | 0 | 0 | 124.9 | | |
| 117 | H | 30.5 | Very low | 29 | Very low | 151 Ų | 151 | 136.6 Ų | 136.6 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | | | trans | 61.4 | 127.1 | 147.1 | -63.3 | -68.9 | 0 | 0 | 0 | 118.3 | S828 | H117-S828 CarbonylContact C-O 3.6Š|
| 118 | D | 29.5 | Very low | 28.8 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 60% | 0.599 | 75% | 0.75 | S | S | * | * | | | | -162.6 | -168.9 | 55.8 | -141.6 | -26.8 | 0 | 0 | 0 | 115.9 | S828 | D118-S828 PolarHBondContact N-O 3.47Š|
| 119 | L | 29.5 | Very low | 28.7 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | | | trans | -80.5 | 130.4 | -162.3 | -80.2 | 161.8 | 0 | 0 | 0 | 118.8 | | |
| 120 | N | 29.1 | Very low | 28.6 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | | 66.6 | 112.3 | 127.2 | -155.1 | 18.1 | 0 | 0 | 0 | 119.9 | L122 | N120-L122 PolarHBondContact O-N 2.9Š|
| 121 | P | 26.3 | Very low | 28.5 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | | | trans | -81.4 | 117.2 | -174.9 | 32.4 | -34.6 | 0 | 0 | 0 | 113.8 | | |
| 122 | L | 28.3 | Very low | 28.4 | Very low | 169 Ų | 169 | 129 Ų | 129 | 89% | 0.885 | 73% | 0.733 | S | S | * | * | | | trans | -125.7 | 28.8 | 170.5 | -121.6 | 170.8 | 0 | 0 | 0 | 112.7 | N120 | N120-L122 PolarHBondContact O-N 2.9Š|
| 123 | S | 27.5 | Very low | 28.3 | Very low | 100 Ų | 100 | 126.3 Ų | 126.3 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | | | trans | -137.8 | 43.4 | -171.6 | 65.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 124 | L | 28.4 | Very low | 28.3 | Very low | 171 Ų | 171 | 123.7 Ų | 123.7 | 90% | 0.895 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -145.6 | 33.6 | 169.4 | -148.8 | 80.6 | 0 | 0 | 0 | 113.9 | | |
| 125 | L | 29 | Very low | 28.5 | Very low | 142 Ų | 142 | 125.9 Ų | 125.9 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -136.7 | 34.7 | 174.7 | -159 | 68.1 | 0 | 0 | 0 | 112.6 | | |
| 126 | E | 27.9 | Very low | 28.7 | Very low | 189 Ų | 189 | 128.2 Ų | 128.2 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -114.8 | 8.6 | -175.3 | -155.8 | 164.7 | -159.4 | 0 | 0 | 113.7 | | |
| 127 | S | 28.1 | Very low | 28.9 | Very low | 124 Ų | 124 | 125.7 Ų | 125.7 | 87% | 0.867 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -142.9 | 23.8 | -179.3 | -169.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 128 | A | 26.5 | Very low | 28.8 | Very low | 84 Ų | 84 | 123.8 Ų | 123.8 | 69% | 0.694 | 71% | 0.714 | S | S | * | * | | | trans | -152.1 | 51.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 129 | C | 27.2 | Very low | 28.9 | Very low | 113 Ų | 113 | 124.5 Ų | 124.5 | 76% | 0.764 | 71% | 0.712 | S | S | * | * | | | trans | -143.8 | 48.2 | 177.6 | -87.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 130 | S | 26 | Very low | 28.8 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 76% | 0.762 | 70% | 0.697 | S | S | * | * | | | trans | -113.7 | 140.7 | 162.9 | -72.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 131 | L | 27.2 | Very low | 28.7 | Very low | 108 Ų | 108 | 119.3 Ų | 119.3 | 57% | 0.565 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 74.6 | 140.5 | -176.2 | -51.7 | 167 | 0 | 0 | 0 | 114.1 | D790 S791 | L131-D790 WeakPolarHBondContact CA-OD2 3.3Å; L131-D790 HydrophobicContact CB-CB 3.94Å; L131-D790 HydrophobicContact CD2-CB 4.45Å; L131-D790 WeakPolarHBondContact CD2-OD1 3.17Å; L131-S791 WeakPolarHBondContact CD1-OG 3.26Å |
| 132 | A | 26.9 | Very low | 28.9 | Very low | 35 Ų | 35 | 120.1 Ų | 120.1 | 29% | 0.289 | 70% | 0.695 | S | S | . | * | | | trans | 68.9 | 104 | 178.6 | 0 | 0 | 0 | 0 | 0 | 118 | F789 D790 | A132-F789 HydrophobicContact CB-CD1 3.71Å; A132-F789 HydrophobicContact CB-CE1 3.54Å; A132-F789 HydrophobicContact CB-CG 4.46Å; A132-F789 HydrophobicContact CB-CZ 4.16Å; A132-D790 HydrophobicContact CB-CB 3.98Å; A132-D790 VanDerWaalsContact N-CB 3.29Å; A132-D790 PolarHBondContact N-OD2 3.46Å |
| 133 | C | 28.2 | Very low | 28.8 | Very low | 126 Ų | 126 | 118.8 Ų | 118.8 | 85% | 0.851 | 69% | 0.689 | S | S | * | * | | | | 177.6 | 104 | 125.8 | -104.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 134 | D | 29.5 | Very low | 28.7 | Very low | 139 Ų | 139 | 119.1 Ų | 119.1 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | | | trans | -127.7 | 131.7 | 178.3 | -133.9 | -9.6 | 0 | 0 | 0 | 109.3 | | |
| 135 | Y | 31.9 | Very low | 28.6 | Very low | 204 Ų | 204 | 117.9 Ų | 117.9 | 80% | 0.8 | 69% | 0.685 | S | S | * | * | | | trans | 64.4 | 125.3 | -175.5 | -63.1 | -96.5 | 0 | 0 | 0 | 115.3 | | |
| 136 | S | 35.1 | Very low | 28.6 | Very low | 98 Ų | 98 | 118.3 Ų | 118.3 | 69% | 0.685 | 68% | 0.683 | S | S | * | * | | | | 70.6 | 160.5 | 70.3 | -55.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 137 | P | 34.8 | Very low | 28.5 | Very low | 69 Ų | 69 | 115.5 Ų | 115.5 | 45% | 0.448 | 67% | 0.673 | S | S | . | * | | | cis | -131.1 | -127.3 | -47 | 46.3 | -32.8 | 0 | 0 | 0 | 114.1 | T1397 D1398 N1399 | P137-T1397 WeakPolarHBondContact CB-O 3.47Å; P137-D1398 HydrophobicContact CB-CB 3.69Å; P137-D1398 WeakPolarHBondContact CB-OD1 3.31Å; P137-N1399 PolarHBondContact O-N 2.69Å |
| 138 | L | 28.3 | Very low | 28.5 | Very low | 110 Ų | 110 | 118.9 Ų | 118.9 | 58% | 0.576 | 67% | 0.673 | S | S | * | * | | | trans | 150.5 | -50.1 | 169.7 | -65 | 130.4 | 0 | 0 | 0 | 125.8 | T1397 N1399 | L138-T1397 WeakPolarHBondContact CD2-OG1 3.46Å; L138-T1397 WeakPolarHBondContact CG-OG1 3.1Å; L138-T1397 VanDerWaalsContact N-C 3.28Å; L138-T1397 PolarHBondContact N-O 2.69Å; L138-T1397 WeakPolarHBondContact O-CB 3.5Å; L138-T1397 PolarHBondContact O-OG1 2.77Å; L138-N1399 VanDerWaalsContact C-CB 3.47Å; L138-N1399 VanDerWaalsContact CA-CB 3.41Å; L138-N1399 HydrophobicContact CB-CB 4.3Å |
| 139 | F | 30.6 | Very low | 28.6 | Very low | 128 Ų | 128 | 122 Ų | 122 | 56% | 0.561 | 67% | 0.671 | S | S | * | * | | | trans | -141 | 135.3 | -177.6 | -138.4 | -103 | 0 | 0 | 0 | 115.9 | L141 T1397 D1398 N1399 | F139-L141 VanDerWaalsContact CE1-O 3.23Å; F139-L141 WeakPolarHBondContact CE1-O 3.32Å; F139-T1397 VanDerWaalsContact N-CB 3.29Å; F139-D1398 CarbonylContact C-O 3.17Å; F139-D1398 WeakPolarHBondContact CA-O 3.38Å; F139-D1398 VanDerWaalsContact N-CA 3.26Å; F139-D1398 PolarHBondContact N-O 3.35Å; F139-D1398 CarbonylContact O-C 3.57Å; F139-D1398 WeakPolarHBondContact O-CA 3.34Å; F139-D1398 PolarHBondContact O-N 2.95Å; F139-N1399 HydrophobicContact CB-CB 3.97Å; F139-N1399 WeakPolarHBondContact CB-OD1 3.26Å |
| 140 | A | 27.5 | Very low | 28.7 | Very low | 57 Ų | 57 | 122.1 Ų | 122.1 | 47% | 0.471 | 67% | 0.67 | S | S | . | * | | | trans | -163.8 | 60.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1396 T1397 | A140-I1396 HydrophobicContact CB-CG2 3.93Å; A140-T1397 HydrophobicContact CB-CG2 4.44Å |
| 141 | L | 27.7 | Very low | 28.6 | Very low | 115 Ų | 115 | 121.8 Ų | 121.8 | 60% | 0.602 | 66% | 0.66 | S | S | * | * | | | trans | -159.8 | 134.5 | 175.2 | -100.8 | 143.9 | 0 | 0 | 0 | 105 | F139 | F139-L141 VanDerWaalsContact CE1-O 3.23Å; F139-L141 WeakPolarHBondContact CE1-O 3.32Å |
| 142 | T | 30.1 | Very low | 28.6 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 81% | 0.81 | 67% | 0.668 | S | S | * | * | | | | -141.3 | 148.1 | 74.5 | 38.7 | 0 | 0 | 0 | 0 | 114 | | |
| 143 | N | 26 | Very low | 28.6 | Very low | 142 Ų | 142 | 128.8 Ų | 128.8 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | | | trans | -92.3 | 159.9 | 163.7 | -98 | -65.8 | 0 | 0 | 0 | 110.5 | | |
| 144 | S | 25.8 | Very low | 28.4 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 74% | 0.741 | 68% | 0.681 | S | S | * | * | | | trans | 78 | 131.6 | -178.8 | -35.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 145 | L | 26.7 | Very low | 28.2 | Very low | 145 Ų | 145 | 128.1 Ų | 128.1 | 76% | 0.759 | 68% | 0.683 | S | S | * | * | | | cis | -138.8 | 147.2 | 37.6 | -81.8 | 158.8 | 0 | 0 | 0 | 115.4 | | |
| 146 | H | 29.6 | Very low | 27.9 | Very low | 152 Ų | 152 | 125.1 Ų | 125.1 | 70% | 0.704 | 68% | 0.679 | S | S | * | * | | | trans | 59.9 | 119.9 | 145.5 | -71.6 | 1.1 | 0 | 0 | 0 | 121.6 | | |
| 147 | N | 25.6 | Very low | 27.6 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 69% | 0.69 | 68% | 0.68 | S | S | * | * | | | | 23.6 | 115.8 | 105.7 | -48.7 | -19 | 0 | 0 | 0 | 114.9 | | |
| 148 | F | 26.9 | Very low | 27.4 | Very low | 195 Ų | 195 | 126.5 Ų | 126.5 | 86% | 0.855 | 69% | 0.69 | S | S | * | * | | | | -168.5 | 143.3 | 77.3 | -107.8 | -87.8 | 0 | 0 | 0 | 110.7 | | |
| 149 | K | 29.9 | Very low | 27.5 | Very low | 151 Ų | 151 | 128.6 Ų | 128.6 | 66% | 0.657 | 70% | 0.702 | S | S | * | * | | | trans | -72.2 | 148.2 | 154.6 | -111.3 | -170.7 | 166.8 | -155.4 | 0 | 108.9 | D151 | K149-D151 WeakPolarHBondContact CD-OD2 3.41Å; K149-D151 VanDerWaalsContact CE-OD1 3.29Å; K149-D151 WeakPolarHBondContact CE-OD1 3.41Å; K149-D151 WeakPolarHBondContact CE-OD2 3.42Å; K149-D151 IonicContact NZ-OD1 3.37Å; K149-D151 PolarHBondContact NZ-OD1 3.48Å; K149-D151 IonicContact NZ-OD2 3.58Å; K149-D151 PolarHBondContact NZ-OD2 3.37Å |
| 150 | P | 28.8 | Very low | 27.6 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 75% | 0.747 | 72% | 0.718 | S | S | * | * | | | | -132.6 | 147.1 | 105.4 | 36.6 | -29.1 | 0 | 0 | 0 | 113.8 | | |
| 151 | D | 24.4 | Very low | 27.8 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 54% | 0.54 | 73% | 0.732 | S | S | . | * | | | trans | -83.1 | 154.1 | 161.2 | -52.7 | -78.7 | 0 | 0 | 0 | 109.9 | K149 | K149-D151 WeakPolarHBondContact CD-OD2 3.41Å; K149-D151 VanDerWaalsContact CE-OD1 3.29Å; K149-D151 WeakPolarHBondContact CE-OD1 3.41Å; K149-D151 WeakPolarHBondContact CE-OD2 3.42Å; K149-D151 IonicContact NZ-OD1 3.37Å; K149-D151 PolarHBondContact NZ-OD1 3.48Å; K149-D151 IonicContact NZ-OD2 3.58Å; K149-D151 PolarHBondContact NZ-OD2 3.37Å |
| 152 | N | 26.4 | Very low | 27.8 | Very low | 137 Ų | 137 | 133 Ų | 133 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | | | trans | 71.9 | 146.5 | -178.3 | -41.1 | -65.2 | 0 | 0 | 0 | 112.7 | | |
| 153 | I | 26.3 | Very low | 27.8 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | | | cis | -143.3 | 124.7 | 41.5 | -71.1 | 162.1 | 0 | 0 | 0 | 113 | | |
| 154 | I | 23.9 | Very low | 27.9 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | | | trans | 12.6 | 113.1 | 136.9 | -50.7 | 157.5 | 0 | 0 | 0 | 119.5 | I156 | I154-I156 HydrophobicContact CG2-CD1 3.75Å; I154-I156 HydrophobicContact CG2-CG1 4.17Å |
| 155 | T | 26.7 | Very low | 28.3 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | | | | -164 | 112.8 | 126.4 | 19.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 156 | I | 25.3 | Very low | 28.9 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 72% | 0.723 | 73% | 0.73 | S | S | * | * | | | | 57.3 | 111.7 | 77 | -57.7 | 167.3 | 0 | 0 | 0 | 109.6 | I154 | I154-I156 HydrophobicContact CG2-CD1 3.75Å; I154-I156 HydrophobicContact CG2-CG1 4.17Å |
| 157 | S | 28.5 | Very low | 29.5 | Very low | 99 Ų | 99 | 127.8 Ų | 127.8 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | | | cis | -162.8 | 150.4 | 45.2 | 46.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 158 | S | 31.4 | Very low | 30.3 | Very low | 96 Ų | 96 | 126.7 Ų | 126.7 | 67% | 0.671 | 73% | 0.725 | S | S | * | * | | | trans | 49.2 | 150.5 | 141.1 | 63.6 | 0 | 0 | 0 | 0 | 123.1 | | |
| 159 | N | 29 | Very low | 31.4 | Very low | 154 Ų | 154 | 120.8 Ų | 120.8 | 82% | 0.824 | 71% | 0.707 | S | S | * | * | | | cis | -174.4 | 132.4 | -21.2 | -102.5 | -9.2 | 0 | 0 | 0 | 107.4 | | |
| 160 | S | 32.6 | Very low | 32.3 | Very low | 129 Ų | 129 | 115.5 Ų | 115.5 | 90% | 0.902 | 69% | 0.688 | S | S | * | * | | | trans | -178.9 | 116 | 147 | -84.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 161 | T | 31.4 | Very low | 33.4 | Very low | 122 Ų | 122 | 115.6 Ų | 115.6 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | | | trans | -113.2 | 129.8 | -175.9 | 42.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 162 | V | 29.2 | Very low | 34.7 | Very low | 142 Ų | 142 | 116.2 Ų | 116.2 | 86% | 0.861 | 70% | 0.698 | S | S | * | * | | | trans | -122.2 | 90.9 | 150.7 | 179.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 163 | T | 28.6 | Very low | 35.5 | Very low | 99 Ų | 99 | 115.2 Ų | 115.2 | 61% | 0.607 | 70% | 0.699 | S | S | * | * | | | trans | -93.1 | 101.9 | -175.3 | -30.3 | 0 | 0 | 0 | 0 | 109.2 | T165 | T163-T165 HydrophobicContact CG2-CG2 3.74Å; T163-T165 PolarHBondContact O-N 3.1Å |
| 164 | I | 29.6 | Very low | 36 | Very low | 164 Ų | 164 | 113.8 Ų | 113.8 | 84% | 0.841 | 70% | 0.7 | S | S | * | * | | | trans | -75.2 | 79.7 | 166 | -56.3 | 179.8 | 0 | 0 | 0 | 107.7 | | |
| 165 | T | 33.2 | Very low | 36.5 | Very low | 99 Ų | 99 | 114.7 Ų | 114.7 | 61% | 0.607 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 134 | 170.4 | 45.4 | 0 | 0 | 0 | 0 | 109.8 | T163 | T163-T165 HydrophobicContact CG2-CG2 3.74Å; T163-T165 PolarHBondContact O-N 3.1Å |
| 166 | P | 40.4 | Very low | 36.9 | Very low | 111 Ų | 111 | 114.3 Ų | 114.3 | 72% | 0.721 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 145.9 | 167.5 | 27.6 | -34.2 | 0 | 0 | 0 | 109.8 | | |
| 167 | P | 40.9 | Very low | 37.1 | Very low | 94 Ų | 94 | 113.2 Ų | 113.2 | 61% | 0.61 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 143.7 | -170 | 25.4 | -34.6 | 0 | 0 | 0 | 112.1 | | |
| 168 | P | 43.3 | Very low | 37.2 | Very low | 106 Ų | 106 | 114 Ų | 114 | 69% | 0.688 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 150.8 | 178.8 | 28.2 | -35 | 0 | 0 | 0 | 111.6 | | |
| 169 | P | 48.8 | Very low | 37.2 | Very low | 71 Ų | 71 | 115 Ų | 115 | 46% | 0.461 | 71% | 0.712 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 133.1 | 163.1 | -18.5 | 31.9 | 0 | 0 | 0 | 110 | N311 V312 | P169-N311 HydrophobicContact CB-CB 3.87Å; P169-N311 HydrophobicContact CG-CB 4.04Å; P169-V312 HydrophobicContact CG-CB 3.88Å; P169-V312 HydrophobicContact CG-CG1 3.86Å; P169-V312 HydrophobicContact CG-CG2 4.33Å |
| 170 | P | 49.6 | Very low | 37.2 | Very low | 40 Ų | 40 | 113.1 Ų | 113.1 | 26% | 0.26 | 71% | 0.706 | S | S | . | * | P | Polyproline II helix | trans | -75.9 | 152.6 | -178.6 | 28.8 | -31.1 | 0 | 0 | 0 | 111.6 | N309 N310 | P170-N309 HydrophobicContact CG-CB 3.75Å; P170-N309 VanDerWaalsContact CG-ND2 3.33Å; P170-N309 WeakPolarHBondContact CG-ND2 3.23Å; P170-N309 WeakPolarHBondContact CG-OD1 3.38Å; P170-N310 VanDerWaalsContact CD-CB 3.47Å; P170-N310 HydrophobicContact CG-CB 3.67Å |
| 171 | P | 52.1 | Low | 37.2 | Very low | 117 Ų | 117 | 113.2 Ų | 113.2 | 76% | 0.76 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 144.1 | -176.2 | 30.5 | -35.2 | 0 | 0 | 0 | 112.4 | | |
| 172 | P | 51.8 | Low | 37.2 | Very low | 115 Ų | 115 | 113.4 Ų | 113.4 | 75% | 0.747 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 158.3 | 165 | 31 | -34.4 | 0 | 0 | 0 | 111.3 | | |
| 173 | P | 43.3 | Very low | 37.4 | Very low | 116 Ų | 116 | 112.7 Ų | 112.7 | 75% | 0.753 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 153.7 | -178.4 | -21.1 | 34 | 0 | 0 | 0 | 113.7 | T175 | P173-T175 PolarHBondContact O-N 3.35Š|
| 174 | P | 36.1 | Very low | 37.6 | Very low | 124 Ų | 124 | 113.8 Ų | 113.8 | 81% | 0.805 | 69% | 0.687 | S | S | * | * | | | trans | -86.1 | 110.7 | -177.7 | 32.9 | -33.1 | 0 | 0 | 0 | 112.7 | | |
| 175 | T | 35.6 | Very low | 37.7 | Very low | 142 Ų | 142 | 111.8 Ų | 111.8 | 87% | 0.871 | 68% | 0.678 | S | S | * | * | | | trans | -99.6 | 139 | 157.3 | 45.2 | 0 | 0 | 0 | 0 | 110.3 | P173 | P173-T175 PolarHBondContact O-N 3.35Š|
| 176 | T | 33.4 | Very low | 37.4 | Very low | 120 Ų | 120 | 111.3 Ų | 111.3 | 74% | 0.736 | 67% | 0.671 | S | S | * | * | | | trans | -91.4 | 122.3 | -159.9 | 45.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 177 | T | 30.5 | Very low | 36.9 | Very low | 118 Ų | 118 | 109.9 Ų | 109.9 | 72% | 0.724 | 66% | 0.66 | S | S | * | * | | | trans | 71.4 | 151.1 | 137.9 | 55.3 | 0 | 0 | 0 | 0 | 121.6 | | |
| 178 | T | 30.8 | Very low | 36.3 | Very low | 116 Ų | 116 | 107.9 Ų | 107.9 | 71% | 0.712 | 65% | 0.649 | S | S | * | * | | | trans | 70.3 | 96.4 | 153.4 | 42 | 0 | 0 | 0 | 0 | 119.9 | | |
| 179 | T | 30.3 | Very low | 35.6 | Very low | 117 Ų | 117 | 108.8 Ų | 108.8 | 72% | 0.718 | 65% | 0.647 | S | S | * | * | | | | 38.5 | 133.6 | 108.3 | 60.3 | 0 | 0 | 0 | 0 | 118.5 | | |
| 180 | T | 30.9 | Very low | 34.5 | Very low | 114 Ų | 114 | 110.6 Ų | 110.6 | 70% | 0.699 | 65% | 0.652 | S | S | * | * | | | cis | -166.7 | 156.1 | 24.6 | -7.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 181 | N | 30.6 | Very low | 33.6 | Very low | 130 Ų | 130 | 117.2 Ų | 117.2 | 70% | 0.695 | 68% | 0.679 | S | S | * | * | | | trans | 54.8 | 117.4 | 146 | -73.2 | 1.1 | 0 | 0 | 0 | 121.4 | | |
| 182 | N | 32.3 | Very low | 32.4 | Very low | 126 Ų | 126 | 121.1 Ų | 121.1 | 67% | 0.674 | 68% | 0.68 | S | S | * | * | | | | 88.2 | 112.7 | 122.3 | -68.7 | 5.8 | 0 | 0 | 0 | 120.8 | | |
| 183 | N | 32.6 | Very low | 31.6 | Very low | 127 Ų | 127 | 120.5 Ų | 120.5 | 68% | 0.679 | 68% | 0.676 | S | S | * | * | | | | 107.6 | 103.9 | 124.7 | -69.7 | 2.1 | 0 | 0 | 0 | 119.1 | | |
| 184 | N | 32.8 | Very low | 30.9 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 66% | 0.658 | 68% | 0.675 | S | S | * | * | | | | 88.4 | 108.2 | 128.8 | -59.1 | -8.4 | 0 | 0 | 0 | 119.3 | | |
| 185 | N | 31.7 | Very low | 30.8 | Very low | 122 Ų | 122 | 123.2 Ų | 123.2 | 65% | 0.652 | 67% | 0.674 | S | S | * | * | | | trans | 73.8 | 144.1 | 135.5 | -54.4 | -12.2 | 0 | 0 | 0 | 117.5 | N1156 | N185-N1156 CarbonylContact C-O 2.99Š|
| 186 | N | 28.4 | Very low | 30.7 | Very low | 88 Ų | 88 | 122.3 Ų | 122.3 | 47% | 0.471 | 66% | 0.663 | S | S | . | * | | | cis | -174.7 | 69.7 | -10.2 | -102.5 | -17.3 | 0 | 0 | 0 | 113.5 | D1155 N1156 | N186-D1155 CarbonylContact C-O 3.55Å; N186-D1155 VanDerWaalsContact CB-O 3.23Å; N186-D1155 WeakPolarHBondContact CB-O 3.37Å; N186-D1155 CarbonylContact O-C 3.46Å; N186-N1156 VanDerWaalsContact C-C 3.42Å; N186-N1156 CarbonylContact C-O 3.53Å; N186-N1156 WeakPolarHBondContact CA-O 3.09Å; N186-N1156 PolarHBondContact N-O 3.19Å; N186-N1156 PolarHBondContact O-N 3.4Å |
| 187 | T | 29.3 | Very low | 30.6 | Very low | 81 Ų | 81 | 123.2 Ų | 123.2 | 50% | 0.497 | 66% | 0.663 | S | S | . | * | | | trans | 72 | 147.1 | 159.1 | 82.8 | 0 | 0 | 0 | 0 | 119.6 | N1156 N1157 | T187-N1156 PolarHBondContact N-O 2.76Å; T187-N1156 VanDerWaalsContact N-O 3.11Å; T187-N1156 CarbonylContact O-C 3.58Å; T187-N1156 WeakPolarHBondContact O-CA 3.13Å; T187-N1156 PolarHBondContact O-N 2.76Å; T187-N1157 PolarHBondContact N-O 2.83Å; T187-N1157 PolarHBondContact O-N 3.2Å |
| 188 | S | 28.2 | Very low | 30.6 | Very low | 53 Ų | 53 | 125.2 Ų | 125.2 | 37% | 0.371 | 66% | 0.664 | S | S | . | * | | | | 157.9 | 160.5 | 103.4 | 64.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 189 | L | 28.4 | Very low | 30.6 | Very low | 125 Ų | 125 | 126 Ų | 126 | 65% | 0.654 | 66% | 0.663 | S | S | * | * | | | trans | 69.9 | 120.6 | -178.5 | -77 | 65.6 | 0 | 0 | 0 | 113.8 | | |
| 190 | I | 27.1 | Very low | 30.6 | Very low | 108 Ų | 108 | 127 Ų | 127 | 55% | 0.554 | 66% | 0.663 | S | S | * | * | | | cis | 78.4 | 105.5 | 43.6 | -58.6 | -177.9 | 0 | 0 | 0 | 114.1 | R1153 | I190-R1153 VanDerWaalsContact CD1-NH1 3.34Š|
| 191 | H | 29.8 | Very low | 30.6 | Very low | 180 Ų | 180 | 128.2 Ų | 128.2 | 83% | 0.833 | 66% | 0.66 | S | S | * | * | | | | -152.7 | 155.1 | 117.3 | -129.8 | -88.4 | 0 | 0 | 0 | 114.4 | | |
| 192 | Y | 26.5 | Very low | 30.8 | Very low | 198 Ų | 198 | 133 Ų | 133 | 78% | 0.776 | 67% | 0.669 | S | S | * | * | | | trans | -105 | 176.8 | 170.5 | -76.9 | -96.8 | 0 | 0 | 0 | 108 | | |
| 193 | P | 34.6 | Very low | 30.9 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 66% | 0.662 | 67% | 0.667 | S | S | * | * | | | cis | -160.8 | 177.8 | 31.5 | 42 | -17.3 | 0 | 0 | 0 | 122.6 | | |
| 194 | T | 30 | Very low | 31 | Very low | 121 Ų | 121 | 133 Ų | 133 | 74% | 0.742 | 67% | 0.668 | S | S | * | * | | | trans | 75.9 | 153.8 | 140.8 | 42.6 | 0 | 0 | 0 | 0 | 124.6 | | |
| 195 | K | 33.2 | Very low | 30.9 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 77% | 0.77 | 68% | 0.679 | S | S | * | * | | | trans | 81.4 | 146.9 | 167.5 | -55.3 | -162.3 | 174.5 | -171.8 | 0 | 116.9 | | |
| 196 | D | 32.6 | Very low | 31 | Very low | 122 Ų | 122 | 142 Ų | 142 | 65% | 0.652 | 69% | 0.689 | S | S | * | * | | | cis | -147.7 | 166.4 | -28.1 | -109.2 | -34.6 | 0 | 0 | 0 | 112.2 | | |
| 197 | L | 32.4 | Very low | 31 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 73% | 0.728 | 71% | 0.71 | S | S | * | * | | | trans | -30.2 | 156 | 156.7 | -61.9 | 155.2 | 0 | 0 | 0 | 114.7 | | |
| 198 | Q | 30.2 | Very low | 31.1 | Very low | 160 Ų | 160 | 148.2 Ų | 148.2 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | | | cis | -169.9 | -164.5 | 24.1 | -139.9 | 173.5 | 129.7 | 0 | 0 | 114.6 | | |
| 199 | I | 30.4 | Very low | 31.2 | Very low | 134 Ų | 134 | 149.3 Ų | 149.3 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | | | trans | 93.1 | 100.8 | 146.7 | -78.3 | 154.8 | 0 | 0 | 0 | 120.7 | | |
| 200 | L | 29.8 | Very low | 31.3 | Very low | 137 Ų | 137 | 151.1 Ų | 151.1 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | | | | 62 | 150.5 | 125.6 | -57.6 | -173.4 | 0 | 0 | 0 | 123.1 | | |
| 201 | H | 32.1 | Very low | 31.3 | Very low | 139 Ų | 139 | 157.6 Ų | 157.6 | 64% | 0.644 | 77% | 0.771 | S | S | * | * | | | cis | -170.9 | -178.3 | -34.4 | -130.2 | -160.4 | 0 | 0 | 0 | 112.6 | | |
| 202 | R | 34.6 | Very low | 31.2 | Very low | 231 Ų | 231 | 158.8 Ų | 158.8 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | | | trans | 94 | 128.1 | 162.9 | -59.5 | -178 | 169.2 | 151.3 | -2.1 | 118 | | |
| 203 | N | 33.9 | Very low | 31.3 | Very low | 118 Ų | 118 | 160.5 Ų | 160.5 | 63% | 0.631 | 78% | 0.775 | S | S | * | * | | | cis | -161.8 | 105.1 | -35.4 | -110.3 | -10.7 | 0 | 0 | 0 | 108.1 | | |
| 204 | N | 35.9 | Very low | 30.8 | Very low | 134 Ų | 134 | 161 Ų | 161 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | | | | 65.2 | 100.1 | 86.9 | -89.6 | -36.4 | 0 | 0 | 0 | 117.8 | | |
| 205 | K | 30.2 | Very low | 30.6 | Very low | 202 Ų | 202 | 162 Ų | 162 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | | | | -170.8 | 101.3 | 112.2 | -103.9 | 172.3 | -178.6 | 173.8 | 0 | 112.6 | | |
| 206 | R | 32.9 | Very low | 30.3 | Very low | 232 Ų | 232 | 158.3 Ų | 158.3 | 88% | 0.875 | 77% | 0.767 | S | S | * | * | | | trans | -140.3 | 97.9 | 160.2 | -81.1 | -173 | 176 | 155.8 | 0.1 | 109.5 | T208 | R206-T208 PolarHBondContact O-N 2.56Š|
| 207 | N | 28.3 | Very low | 30 | Very low | 169 Ų | 169 | 156 Ų | 156 | 90% | 0.904 | 76% | 0.758 | S | S | * | * | | | trans | -78.8 | 81.9 | -177.6 | -95.4 | 3.6 | 0 | 0 | 0 | 112.5 | | |
| 208 | T | 32.3 | Very low | 29.7 | Very low | 132 Ų | 132 | 156.5 Ų | 156.5 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | | | trans | -125.5 | 54.7 | 166.2 | 52.4 | 0 | 0 | 0 | 0 | 110.9 | R206 L210 | R206-T208 PolarHBondContact O-N 2.56Å; T208-L210 PolarHBondContact O-N 3.49Å |
| 209 | G | 28.9 | Very low | 29.5 | Very low | 75 Ų | 75 | 158.6 Ų | 158.6 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | trans | -83.9 | 100.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R211 | G209-R211 PolarHBondContact O-N 3.18Š|
| 210 | L | 31.8 | Very low | 29.2 | Very low | 163 Ų | 163 | 155.1 Ų | 155.1 | 85% | 0.853 | 74% | 0.738 | S | S | * | * | | | trans | -74.5 | 97.1 | 165.7 | -83.8 | 161 | 0 | 0 | 0 | 110.2 | T208 Y212 | T208-L210 PolarHBondContact O-N 3.49Å; L210-Y212 PolarHBondContact O-N 3.24Å |
| 211 | R | 27.2 | Very low | 29.1 | Very low | 244 Ų | 244 | 155.7 Ų | 155.7 | 92% | 0.921 | 74% | 0.737 | S | S | * | * | | | trans | -82.1 | 109.9 | 160.9 | -77.7 | -167.1 | 179.6 | -173.9 | 1 | 109.8 | G209 | G209-R211 PolarHBondContact O-N 3.18Š|
| 212 | Y | 28 | Very low | 28.8 | Very low | 205 Ų | 205 | 151 Ų | 151 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | | | trans | -61 | 139.5 | 154.5 | -84.5 | -103.4 | 0 | 0 | 0 | 108.8 | L210 | L210-Y212 PolarHBondContact O-N 3.24Š|
| 213 | R | 27.6 | Very low | 28.3 | Very low | 234 Ų | 234 | 143.1 Ų | 143.1 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | | | trans | -129.5 | 88.5 | 162.8 | -166.1 | 178.2 | -171.1 | -178.6 | 3.6 | 108.4 | | |
| 214 | T | 25.2 | Very low | 27.9 | Very low | 113 Ų | 113 | 148 Ų | 148 | 69% | 0.693 | 71% | 0.714 | S | S | * | * | | | trans | -74.3 | 143.2 | 169.5 | 34.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 215 | K | 25.4 | Very low | 27.4 | Very low | 141 Ų | 141 | 148.4 Ų | 148.4 | 61% | 0.613 | 71% | 0.714 | S | S | * | * | | | trans | 27 | 108.2 | 157.4 | -51.3 | -165.6 | -174.9 | -154.9 | 0 | 119 | D1149 | K215-D1149 WeakPolarHBondContact CD-OD2 3.44Å; K215-D1149 WeakPolarHBondContact CE-OD2 3.29Å; K215-D1149 IonicContact NZ-OD1 2.62Å; K215-D1149 PolarHBondContact NZ-OD1 2.75Å; K215-D1149 IonicContact NZ-OD2 3.1Å; K215-D1149 PolarHBondContact NZ-OD2 2.96Å |
| 216 | S | 25.5 | Very low | 27.3 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | | | trans | -156 | 108.4 | 133.4 | 62.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 217 | T | 26.6 | Very low | 27 | Very low | 74 Ų | 74 | 138 Ų | 138 | 45% | 0.454 | 69% | 0.69 | S | S | . | * | | | trans | -79 | 167.7 | 171.6 | -46.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 218 | F | 26 | Very low | 27 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 65% | 0.649 | 69% | 0.687 | S | S | * | * | | | trans | 69.9 | 145.1 | -178.1 | -50.6 | -80 | 0 | 0 | 0 | 113.6 | | |
| 219 | R | 26.4 | Very low | 26.8 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 77% | 0.774 | 69% | 0.685 | S | S | * | * | | | cis | -139.1 | 161.9 | -5.2 | -119.6 | 168.4 | -172.6 | 157.9 | 1.8 | 105.5 | | |
| 220 | N | 25.2 | Very low | 26.8 | Very low | 61 Ų | 61 | 143 Ų | 143 | 33% | 0.326 | 68% | 0.684 | S | S | . | * | | | cis | -119.4 | 135.8 | 33.2 | -70.1 | -61.2 | 0 | 0 | 0 | 115.8 | E460 | N220-E460 WeakPolarHBondContact CB-OE2 3.21Å; N220-E460 PolarHBondContact ND2-OE1 3.3Å; N220-E460 PolarHBondContact ND2-OE2 2.86Å |
| 221 | Q | 26.1 | Very low | 26.6 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 70% | 0.696 | 69% | 0.686 | S | S | * | * | | | trans | -102.3 | 95.2 | 145.2 | -77.8 | -177.4 | -17.8 | 0 | 0 | 106.6 | | |
| 222 | A | 25.8 | Very low | 26.7 | Very low | 39 Ų | 39 | 136.2 Ų | 136.2 | 32% | 0.322 | 68% | 0.676 | S | S | . | * | | | trans | -148.5 | 126.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 223 | S | 25.7 | Very low | 26.6 | Very low | 66 Ų | 66 | 134.2 Ų | 134.2 | 46% | 0.462 | 68% | 0.679 | S | S | . | * | | | cis | -139.9 | 122.6 | 0.2 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 224 | Y | 25.7 | Very low | 26.7 | Very low | 222 Ų | 222 | 130.7 Ų | 130.7 | 87% | 0.871 | 68% | 0.677 | S | S | * | * | | | trans | -121.1 | 68.6 | 147.1 | -113.8 | -71.5 | 0 | 0 | 0 | 109.2 | N226 | Y224-N226 VanDerWaalsContact C-N 3.27Å; Y224-N226 HydrophobicContact CD1-CB 4.39Å; Y224-N226 PolarHBondContact O-N 3.11Å |
| 225 | I | 25.5 | Very low | 26.8 | Very low | 142 Ų | 142 | 130 Ų | 130 | 73% | 0.728 | 68% | 0.677 | S | S | * | * | | | trans | -67 | 96.6 | 155.9 | -60.6 | 172.6 | 0 | 0 | 0 | 105.6 | P227 | I225-P227 HydrophobicContact CG2-CB 4.22Å; I225-P227 HydrophobicContact CG2-CG 4.41Å |
| 226 | N | 26.5 | Very low | 27 | Very low | 133 Ų | 133 | 129.7 Ų | 129.7 | 71% | 0.711 | 69% | 0.686 | S | S | * | * | | | trans | -109.8 | 98.7 | 160.7 | -142 | -17.9 | 0 | 0 | 0 | 107 | Y224 I228 | Y224-N226 VanDerWaalsContact C-N 3.27Å; Y224-N226 HydrophobicContact CD1-CB 4.39Å; Y224-N226 PolarHBondContact O-N 3.11Å; N226-I228 PolarHBondContact O-N 2.67Å |
| 227 | P | 27.3 | Very low | 27 | Very low | 82 Ų | 82 | 134.8 Ų | 134.8 | 53% | 0.532 | 69% | 0.692 | S | S | . | * | | | trans | -87.4 | 108.5 | -158.4 | 32.3 | -33.4 | 0 | 0 | 0 | 111.8 | I225 K229 | I225-P227 HydrophobicContact CG2-CB 4.22Å; I225-P227 HydrophobicContact CG2-CG 4.41Å; P227-K229 PolarHBondContact O-N 2.7Å |
| 228 | I | 28.8 | Very low | 26.9 | Very low | 164 Ų | 164 | 136.7 Ų | 136.7 | 84% | 0.841 | 70% | 0.699 | S | S | * | * | | | trans | -72.3 | 91 | 151.3 | -60.8 | -177.4 | 0 | 0 | 0 | 106.6 | N226 N230 | N226-I228 PolarHBondContact O-N 2.67Å; I228-N230 PolarHBondContact O-N 2.71Å |
| 229 | K | 28.6 | Very low | 26.9 | Very low | 177 Ų | 177 | 135.6 Ų | 135.6 | 77% | 0.77 | 70% | 0.7 | S | S | * | * | | | trans | -59.2 | 127.7 | 168.4 | -74.5 | -177.3 | 175.2 | 179.1 | 0 | 108.5 | P227 V231 | P227-K229 PolarHBondContact O-N 2.7Å; K229-V231 PolarHBondContact O-N 3Å |
| 230 | N | 27.5 | Very low | 26.8 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | | | trans | -56.7 | 126 | 167.3 | -84.1 | -18.4 | 0 | 0 | 0 | 109.8 | I228 T232 | I228-N230 PolarHBondContact O-N 2.71Å; N230-T232 VanDerWaalsContact C-N 3.35Å; N230-T232 PolarHBondContact O-N 2.69Å; N230-T232 VanDerWaalsContact O-N 3.13Å |
| 231 | V | 27.3 | Very low | 26.7 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 89% | 0.891 | 71% | 0.711 | S | S | * | * | | | trans | -79.4 | 89.8 | 165.4 | 179 | 0 | 0 | 0 | 0 | 107.7 | K229 | K229-V231 PolarHBondContact O-N 3Š|
| 232 | T | 30 | Very low | 26.6 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | | | trans | -132 | 93.1 | 164 | 50 | 0 | 0 | 0 | 0 | 108.6 | N230 | N230-T232 VanDerWaalsContact C-N 3.35Å; N230-T232 PolarHBondContact O-N 2.69Å; N230-T232 VanDerWaalsContact O-N 3.13Å |
| 233 | N | 26.4 | Very low | 26.6 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 87% | 0.872 | 73% | 0.728 | S | S | * | * | | | trans | -144.3 | 75.7 | 162.5 | -129.1 | -12.2 | 0 | 0 | 0 | 109.2 | | |
| 234 | L | 28.9 | Very low | 26.6 | Very low | 160 Ų | 160 | 144 Ų | 144 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | | | trans | -116.1 | 139.4 | 156 | -133 | 75.3 | 0 | 0 | 0 | 106 | | |
| 235 | S | 26.8 | Very low | 26.7 | Very low | 99 Ų | 99 | 140.3 Ų | 140.3 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | | | trans | 8.2 | 139.9 | 158.1 | 57.1 | 0 | 0 | 0 | 0 | 118.5 | | |
| 236 | V | 30 | Very low | 26.8 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 81% | 0.806 | 72% | 0.717 | S | S | * | * | | | | -144.1 | 142.7 | 55.3 | 171.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 237 | Y | 25.2 | Very low | 26.9 | Very low | 208 Ų | 208 | 139.2 Ų | 139.2 | 82% | 0.816 | 72% | 0.716 | S | S | * | * | | | trans | -103.8 | 150.5 | 160 | -130 | -82.7 | 0 | 0 | 0 | 109.1 | | |
| 238 | D | 25 | Very low | 26.9 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 61% | 0.61 | 72% | 0.724 | S | S | * | * | | | trans | 63.8 | 105.8 | 164.7 | -82.6 | -43.1 | 0 | 0 | 0 | 120.2 | | |
| 239 | N | 25.4 | Very low | 26.8 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | | | | 65.6 | 155.2 | 106.9 | -98 | -59.8 | 0 | 0 | 0 | 121 | | |
| 240 | H | 25.2 | Very low | 26.8 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 74% | 0.741 | 71% | 0.714 | S | S | * | * | | | trans | 67.7 | 154.4 | 162 | -70.5 | 16.9 | 0 | 0 | 0 | 114.4 | | |
| 241 | N | 23.1 | Very low | 26.7 | Very low | 109 Ų | 109 | 136.5 Ų | 136.5 | 58% | 0.583 | 71% | 0.708 | S | S | * | * | | | cis | -159.7 | 164.3 | -27.6 | -132 | -56.8 | 0 | 0 | 0 | 106.2 | | |
| 242 | H | 24.9 | Very low | 26.6 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | | | trans | 63.6 | 175 | 155.8 | -78.3 | 42.9 | 0 | 0 | 0 | 115.2 | | |
| 243 | H | 24.7 | Very low | 26.4 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 66% | 0.657 | 70% | 0.7 | S | S | * | * | | | cis | -175.6 | 146.1 | -36.6 | -173.8 | 39.9 | 0 | 0 | 0 | 105.9 | | |
| 244 | H | 26.6 | Very low | 26.5 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 59% | 0.588 | 70% | 0.698 | S | S | * | * | | | trans | 66.6 | 136.9 | 164.4 | -84.5 | -63.5 | 0 | 0 | 0 | 121.5 | | |
| 245 | H | 26.9 | Very low | 26.4 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 67% | 0.667 | 69% | 0.693 | S | S | * | * | | | trans | 67.8 | 142.8 | 137.5 | -69.1 | -46.7 | 0 | 0 | 0 | 119.5 | | |
| 246 | D | 27.1 | Very low | 26.6 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 57% | 0.567 | 70% | 0.698 | S | S | * | * | | | cis | -159.5 | 162.2 | -2.7 | -135.1 | 5 | 0 | 0 | 0 | 113.3 | | |
| 247 | Q | 29.3 | Very low | 26.4 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 68% | 0.682 | 70% | 0.695 | S | S | * | * | | | trans | 62.1 | 136.6 | 156.6 | -63.1 | 160.9 | 54.5 | 0 | 0 | 116.5 | | |
| 248 | Q | 28.4 | Very low | 26.5 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 72% | 0.715 | 69% | 0.687 | S | S | * | * | | | cis | -155.3 | 152.7 | 18.9 | -133.4 | 163.2 | 76.9 | 0 | 0 | 109.8 | | |
| 249 | T | 26.1 | Very low | 26.5 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 69% | 0.687 | 69% | 0.689 | S | S | * | * | | | trans | 22.6 | 131.9 | 150.5 | 52.9 | 0 | 0 | 0 | 0 | 120 | | |
| 250 | I | 27.5 | Very low | 26.5 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 71% | 0.713 | 68% | 0.684 | S | S | * | * | | | cis | -163.7 | 117 | 17.7 | -111.1 | 158 | 0 | 0 | 0 | 105.9 | | |
| 251 | T | 25.8 | Very low | 26.6 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 63% | 0.626 | 68% | 0.676 | S | S | * | * | | | | 53.7 | 129.1 | 95.4 | 66.4 | 0 | 0 | 0 | 0 | 115 | | |
| 252 | W | 25.2 | Very low | 26.9 | Very low | 240 Ų | 240 | 136.3 Ų | 136.3 | 91% | 0.909 | 68% | 0.678 | S | S | * | * | | | cis | -162.7 | 168.3 | 8.1 | -103.8 | -2.5 | 0 | 0 | 0 | 111.9 | | |
| 253 | S | 27.1 | Very low | 27 | Very low | 76 Ų | 76 | 135 Ų | 135 | 53% | 0.531 | 68% | 0.676 | S | S | . | * | | | trans | 38.7 | 128.3 | 151.1 | -59.4 | 0 | 0 | 0 | 0 | 123.2 | | |
| 254 | N | 27.2 | Very low | 27 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 83% | 0.834 | 67% | 0.674 | S | S | * | * | | | | -163.2 | 144.4 | 97.8 | -78.8 | -22.1 | 0 | 0 | 0 | 108 | | |
| 255 | D | 27.8 | Very low | 26.9 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 73% | 0.733 | 68% | 0.676 | S | S | * | * | | | cis | 90.9 | 151.6 | 22.2 | -81.6 | -52.9 | 0 | 0 | 0 | 118.2 | | |
| 256 | L | 29.4 | Very low | 26.8 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 78% | 0.78 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -59.9 | 163.2 | 178.3 | -76.6 | 154.4 | 0 | 0 | 0 | 113.4 | | |
| 257 | N | 26.5 | Very low | 26.7 | Very low | 141 Ų | 141 | 133.9 Ų | 133.9 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | | | trans | 72.3 | 154 | 177.5 | -47.6 | -47.4 | 0 | 0 | 0 | 112.4 | | |
| 258 | N | 26.8 | Very low | 26.6 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 65% | 0.647 | 69% | 0.685 | S | S | * | * | | | cis | -147 | -168.8 | 0.7 | -137.7 | 2.6 | 0 | 0 | 0 | 109.5 | | |
| 259 | H | 25.4 | Very low | 26.3 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 66% | 0.657 | 68% | 0.683 | S | S | * | * | | | | 17.3 | 129.8 | 94.5 | -64.6 | -70.8 | 0 | 0 | 0 | 113.9 | | |
| 260 | D | 25 | Very low | 26.2 | Very low | 103 Ų | 103 | 132 Ų | 132 | 55% | 0.551 | 69% | 0.686 | S | S | * | * | | | cis | -164.4 | -174.3 | 13.8 | -122.6 | -6.9 | 0 | 0 | 0 | 111 | | |
| 261 | E | 28.3 | Very low | 26.3 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 58% | 0.579 | 70% | 0.697 | S | S | * | * | | | | 21.4 | 143 | 96.5 | -31.7 | 174 | 140.2 | 0 | 0 | 114.8 | | |
| 262 | K | 29.5 | Very low | 26.2 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 62% | 0.622 | 70% | 0.703 | S | S | * | * | | | cis | -179.2 | -150.6 | 24 | -144 | 167.7 | -139.3 | 156.6 | 0 | 107.5 | | |
| 263 | L | 26.1 | Very low | 26.3 | Very low | 133 Ų | 133 | 127.2 Ų | 127.2 | 70% | 0.696 | 70% | 0.699 | S | S | * | * | | | trans | 33.7 | 113.1 | 133 | -62.6 | 167.7 | 0 | 0 | 0 | 115.9 | | |
| 264 | L | 25.5 | Very low | 26.3 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 61% | 0.607 | 71% | 0.71 | S | S | * | * | | | cis | -174.9 | 162.7 | 24.5 | -106.5 | 163.5 | 0 | 0 | 0 | 109.6 | | |
| 265 | K | 24.3 | Very low | 26.2 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 64% | 0.643 | 71% | 0.709 | S | S | * | * | | | trans | 64.9 | 124.3 | 148 | -70 | 158 | 178.1 | 148.2 | 0 | 114.6 | | |
| 266 | S | 24.6 | Very low | 26.1 | Very low | 93 Ų | 93 | 128 Ų | 128 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | | | | 56.1 | 63.1 | 59.9 | 90.7 | 0 | 0 | 0 | 0 | 113 | | |
| 267 | D | 24.5 | Very low | 26.1 | Very low | 137 Ų | 137 | 129 Ų | 129 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | | | trans | -143.4 | 119.6 | 154.9 | -80.8 | -41.9 | 0 | 0 | 0 | 104.4 | | |
| 268 | I | 28.1 | Very low | 26.3 | Very low | 138 Ų | 138 | 127.5 Ų | 127.5 | 71% | 0.708 | 71% | 0.706 | S | S | * | * | | | cis | 56.8 | 130.7 | 18.5 | -42.7 | -177 | 0 | 0 | 0 | 111.9 | | |
| 269 | T | 22.6 | Very low | 26.8 | Very low | 110 Ų | 110 | 129 Ų | 129 | 68% | 0.675 | 71% | 0.708 | S | S | * | * | | | trans | 72.2 | 150.8 | -177.9 | 84.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 270 | T | 22.9 | Very low | 26.9 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | | | cis | -164.4 | 132.5 | -30 | 26.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 271 | T | 29.2 | Very low | 27.2 | Very low | 153 Ų | 153 | 128.7 Ų | 128.7 | 94% | 0.939 | 71% | 0.714 | S | S | * | * | | | trans | -157.6 | 135.7 | 143.5 | 27.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 272 | S | 23.8 | Very low | 27 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | | | trans | -83.9 | 166.1 | 179.7 | 49.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 273 | S | 27.9 | Very low | 27 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 84% | 0.839 | 72% | 0.723 | S | S | * | * | | | trans | 104.6 | 124 | 168.1 | -44.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 274 | S | 27.1 | Very low | 26.9 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | S | Bend | cis | -122.3 | 136.9 | 17 | 57 | 0 | 0 | 0 | 0 | 115.1 | | |
| 275 | N | 24.8 | Very low | 27 | Very low | 152 Ų | 152 | 129.9 Ų | 129.9 | 81% | 0.813 | 73% | 0.725 | S | S | * | * | | | trans | 36.9 | 116.9 | 141 | -58.5 | -8.6 | 0 | 0 | 0 | 119 | | |
| 276 | T | 26.4 | Very low | 27 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 78% | 0.779 | 73% | 0.727 | S | S | * | * | | | cis | -156.8 | 144.7 | 7.7 | 49.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 277 | M | 28.7 | Very low | 27.1 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 83% | 0.833 | 73% | 0.729 | S | S | * | * | | | trans | 38.2 | 133.1 | 156.1 | -86 | -172.2 | 153.2 | 0 | 0 | 119.9 | | |
| 278 | N | 30.5 | Very low | 27.1 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 59% | 0.588 | 73% | 0.725 | S | S | * | * | | | cis | -166.1 | 148.3 | 38.8 | -118.9 | -23.5 | 0 | 0 | 0 | 112.2 | | |
| 279 | H | 38.7 | Very low | 27.1 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 70% | 0.704 | 73% | 0.729 | S | S | * | * | | | trans | 54.6 | 125.9 | 160 | -71.5 | -80.5 | 0 | 0 | 0 | 118.6 | | |
| 280 | I | 27.6 | Very low | 27.4 | Very low | 137 Ų | 137 | 131.2 Ų | 131.2 | 70% | 0.703 | 73% | 0.727 | S | S | * | * | | | | 53.2 | 115.2 | 64.5 | -64.6 | 177.7 | 0 | 0 | 0 | 110.8 | | |
| 281 | T | 29.4 | Very low | 27.5 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 63% | 0.626 | 72% | 0.723 | S | S | * | * | | | cis | -166.8 | -173.8 | -0.7 | 21.7 | 0 | 0 | 0 | 0 | 105.7 | | |
| 282 | D | 25.3 | Very low | 27.6 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 68% | 0.684 | 71% | 0.71 | S | S | * | * | | | trans | 9.9 | 136.1 | 133.5 | -36.4 | -31.6 | 0 | 0 | 0 | 118.6 | | |
| 283 | I | 29.4 | Very low | 27.8 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 70% | 0.697 | 70% | 0.701 | S | S | * | * | | | | 179.5 | 111.9 | 111.3 | -87.4 | 151 | 0 | 0 | 0 | 106.5 | Y285 | I283-Y285 HydrophobicContact CG2-CD2 3.46Å; I283-Y285 VanDerWaalsContact CG2-CD2 3.46Å; I283-Y285 HydrophobicContact CG2-CE2 3.73Å |
| 284 | S | 23.9 | Very low | 27.9 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 61% | 0.608 | 70% | 0.697 | S | S | * | * | | | cis | 76 | 45.5 | 44.6 | 92.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 285 | Y | 28 | Very low | 28.1 | Very low | 191 Ų | 191 | 132.3 Ų | 132.3 | 75% | 0.749 | 69% | 0.692 | S | S | * | * | | | trans | -140.9 | 122.3 | 154.3 | -74.1 | -80.1 | 0 | 0 | 0 | 106.7 | I283 | I283-Y285 HydrophobicContact CG2-CD2 3.46Å; I283-Y285 VanDerWaalsContact CG2-CD2 3.46Å; I283-Y285 HydrophobicContact CG2-CE2 3.73Å |
| 286 | S | 24.4 | Very low | 28.3 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | | | cis | 52.6 | 79.6 | 19.1 | 76.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 287 | H | 26.8 | Very low | 28.6 | Very low | 151 Ų | 151 | 130 Ų | 130 | 70% | 0.699 | 68% | 0.682 | S | S | * | * | | | trans | -171.3 | 137.4 | 149.2 | -106.5 | 54.1 | 0 | 0 | 0 | 107.5 | | |
| 288 | N | 24.5 | Very low | 28.7 | Very low | 122 Ų | 122 | 128 Ų | 128 | 65% | 0.652 | 67% | 0.674 | S | S | * | * | | | | 42.9 | 111.2 | 87.6 | -58.5 | -44.1 | 0 | 0 | 0 | 110.8 | | |
| 289 | K | 28.3 | Very low | 28.6 | Very low | 180 Ų | 180 | 128.8 Ų | 128.8 | 78% | 0.783 | 68% | 0.678 | S | S | * | * | | | | -154.1 | 146.6 | 53.3 | -93.2 | 179.6 | 178 | 173.3 | 0 | 110.3 | | |
| 290 | T | 27.2 | Very low | 28 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 64% | 0.638 | 68% | 0.684 | S | S | * | * | | | | 50.3 | 160.9 | 83.6 | 87.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 291 | M | 26.3 | Very low | 28 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 67% | 0.67 | 68% | 0.681 | S | S | * | * | | | trans | 80.1 | 98.4 | -174.5 | -40.7 | -48 | -90.2 | 0 | 0 | 111.3 | | |
| 292 | E | 30 | Very low | 28 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 67% | 0.673 | 68% | 0.683 | S | S | * | * | | | | 115.4 | 157.3 | 59.6 | -102.3 | 179.9 | -173.6 | 0 | 0 | 106.9 | | |
| 293 | N | 28.5 | Very low | 28.3 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 56% | 0.561 | 68% | 0.681 | S | S | * | * | | | cis | -154.2 | 161.1 | 7.7 | -140.1 | -35.6 | 0 | 0 | 0 | 111.1 | | |
| 294 | L | 29.6 | Very low | 28.2 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | | | trans | 65.7 | 137.1 | 159.7 | -52.9 | 167.1 | 0 | 0 | 0 | 116.3 | | |
| 295 | T | 32.3 | Very low | 28.3 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 66% | 0.656 | 69% | 0.689 | S | S | * | * | | | cis | -158.6 | 145.8 | 3.5 | 1.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 296 | N | 29 | Very low | 28.3 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 77% | 0.765 | 69% | 0.694 | S | S | * | * | | | trans | 38.6 | 140.9 | 131.9 | -60.3 | 11.4 | 0 | 0 | 0 | 119.7 | | |
| 297 | S | 31.7 | Very low | 28.4 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 62% | 0.615 | 70% | 0.695 | S | S | * | * | | | cis | 178.7 | 170.2 | 8.9 | -99 | 0 | 0 | 0 | 0 | 106.8 | | |
| 298 | N | 31.8 | Very low | 28.5 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 67% | 0.668 | 70% | 0.697 | S | S | * | * | | | cis | -160 | 129.5 | -6.3 | -106.7 | 6.7 | 0 | 0 | 0 | 106.6 | | |
| 299 | I | 27.5 | Very low | 28.7 | Very low | 128 Ų | 128 | 132 Ų | 132 | 66% | 0.656 | 69% | 0.686 | S | S | * | * | | | | 80.8 | 112.7 | 99.2 | -68.6 | 177.6 | 0 | 0 | 0 | 115.9 | | |
| 300 | M | 26.7 | Very low | 28.7 | Very low | 171 Ų | 171 | 128.4 Ų | 128.4 | 84% | 0.842 | 68% | 0.675 | S | S | * | * | | | trans | 59.8 | 151.3 | 143.7 | -64.5 | 176.2 | 152.1 | 0 | 0 | 120.1 | | |
| 301 | T | 26.8 | Very low | 28.8 | Very low | 103 Ų | 103 | 127 Ų | 127 | 63% | 0.632 | 66% | 0.663 | S | S | * | * | | | cis | -156.2 | -177.3 | -4.4 | 14.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 302 | D | 30.1 | Very low | 29 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 66% | 0.663 | 66% | 0.66 | S | S | * | * | | | trans | 76.7 | 144.4 | 158.4 | -49.3 | -50.9 | 0 | 0 | 0 | 118 | | |
| 303 | N | 30.5 | Very low | 28.8 | Very low | 122 Ų | 122 | 123.3 Ų | 123.3 | 65% | 0.652 | 66% | 0.661 | S | S | * | * | | | cis | -153 | 127.7 | -27.4 | -104.6 | -35.3 | 0 | 0 | 0 | 111.5 | | |
| 304 | I | 28.1 | Very low | 28.7 | Very low | 144 Ų | 144 | 128.1 Ų | 128.1 | 74% | 0.738 | 67% | 0.672 | S | S | * | * | | | trans | 26.5 | 110.2 | 137.1 | -60.2 | 166.6 | 0 | 0 | 0 | 117.8 | | |
| 305 | Q | 25.9 | Very low | 28.5 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 73% | 0.729 | 67% | 0.672 | S | S | * | * | | | | 175.5 | 144.7 | 99.6 | -125 | 171.7 | -6.7 | 0 | 0 | 114.7 | | |
| 306 | W | 27.5 | Very low | 28.2 | Very low | 224 Ų | 224 | 131.3 Ų | 131.3 | 85% | 0.848 | 67% | 0.671 | S | S | * | * | | | trans | 57.1 | 149.3 | 164.3 | -58.9 | 108.5 | 0 | 0 | 0 | 122.4 | | |
| 307 | L | 26.3 | Very low | 28 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 70% | 0.702 | 67% | 0.67 | S | S | * | * | | | trans | -129.7 | 179 | -178.5 | -78.7 | 173.7 | 0 | 0 | 0 | 108.1 | | |
| 308 | P | 29.6 | Very low | 27.8 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 74% | 0.74 | 67% | 0.672 | S | S | * | * | | | cis | -117 | 154.5 | 4.8 | 42 | -28.8 | 0 | 0 | 0 | 113.4 | | |
| 309 | N | 28.3 | Very low | 27.5 | Very low | 79 Ų | 79 | 135.7 Ų | 135.7 | 42% | 0.422 | 68% | 0.684 | S | S | . | * | | | | 54.6 | 129.4 | 68 | -65.6 | -16 | 0 | 0 | 0 | 114.2 | P170 | P170-N309 HydrophobicContact CG-CB 3.75Å; P170-N309 VanDerWaalsContact CG-ND2 3.33Å; P170-N309 WeakPolarHBondContact CG-ND2 3.23Å; P170-N309 WeakPolarHBondContact CG-OD1 3.38Å |
| 310 | N | 29 | Very low | 27.4 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 55% | 0.551 | 69% | 0.688 | S | S | * | * | | | cis | 128.3 | 127 | 9.2 | -102.5 | -47.2 | 0 | 0 | 0 | 108.8 | P170 | P170-N310 VanDerWaalsContact CD-CB 3.47Å; P170-N310 HydrophobicContact CG-CB 3.67Å |
| 311 | N | 29 | Very low | 27.4 | Very low | 75 Ų | 75 | 133.6 Ų | 133.6 | 40% | 0.401 | 68% | 0.684 | S | S | . | * | | | trans | 73.4 | 129.8 | 138.1 | -73.6 | -17.8 | 0 | 0 | 0 | 123.1 | P169 | P169-N311 HydrophobicContact CB-CB 3.87Å; P169-N311 HydrophobicContact CG-CB 4.04Å |
| 312 | V | 29.8 | Very low | 27.5 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 61% | 0.606 | 69% | 0.686 | S | S | * | * | | | | 67.3 | 113.5 | 120.1 | 174.8 | 0 | 0 | 0 | 0 | 117.7 | P169 | P169-V312 HydrophobicContact CG-CB 3.88Å; P169-V312 HydrophobicContact CG-CG1 3.86Å; P169-V312 HydrophobicContact CG-CG2 4.33Å |
| 313 | C | 26.3 | Very low | 27.5 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 70% | 0.696 | 69% | 0.687 | S | S | * | * | | | | 74.7 | 133 | 56 | -168 | 0 | 0 | 0 | 0 | 114.7 | | |
| 314 | R | 26.1 | Very low | 27.6 | Very low | 205 Ų | 205 | 135 Ų | 135 | 77% | 0.774 | 69% | 0.688 | S | S | * | * | | | trans | 17.1 | 123.8 | 162.9 | -63.2 | 171 | 159.9 | -175.2 | -6.5 | 118.8 | | |
| 315 | R | 25.9 | Very low | 27.8 | Very low | 201 Ų | 201 | 134.4 Ų | 134.4 | 76% | 0.758 | 68% | 0.682 | S | S | * | * | | | | 175.9 | 134.7 | 94 | -92.8 | -169.1 | -137.1 | 76.9 | -7.9 | 114 | | |
| 316 | D | 25.9 | Very low | 28 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 62% | 0.62 | 68% | 0.682 | S | S | * | * | | | | 59.1 | 164.6 | 126.4 | -43.5 | -13.5 | 0 | 0 | 0 | 124 | | |
| 317 | Y | 25.6 | Very low | 28.2 | Very low | 193 Ų | 193 | 127.7 Ų | 127.7 | 76% | 0.757 | 67% | 0.671 | S | S | * | * | | | trans | 77.2 | 95.7 | 158.4 | -67 | -65.4 | 0 | 0 | 0 | 121.5 | | |
| 318 | N | 26.3 | Very low | 28.3 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 66% | 0.663 | 67% | 0.669 | S | S | * | * | | | | 40.5 | 116 | 121.3 | -60.1 | -0.7 | 0 | 0 | 0 | 119 | L320 | N318-L320 HydrophobicContact CB-CD1 3.99Š|
| 319 | S | 27.3 | Very low | 28.2 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 91% | 0.909 | 66% | 0.662 | S | S | * | * | | | trans | -72.7 | 121.8 | 143.8 | -170.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 320 | L | 25 | Very low | 28.2 | Very low | 143 Ų | 143 | 132 Ų | 132 | 75% | 0.749 | 67% | 0.672 | S | S | * | * | | | trans | -85.3 | 133.1 | 175.5 | -85.2 | 70.2 | 0 | 0 | 0 | 110.7 | N318 | N318-L320 HydrophobicContact CB-CD1 3.99Š|
| 321 | C | 25.4 | Very low | 28.1 | Very low | 112 Ų | 112 | 135 Ų | 135 | 76% | 0.757 | 68% | 0.675 | S | S | * | * | | | trans | -162.7 | 136.1 | 143.3 | -96.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 322 | N | 29.7 | Very low | 28.1 | Very low | 126 Ų | 126 | 139 Ų | 139 | 67% | 0.674 | 69% | 0.689 | S | S | * | * | | | cis | -132 | 151.3 | 14 | -73.9 | -70.4 | 0 | 0 | 0 | 111.5 | | |
| 323 | N | 30.1 | Very low | 28 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 67% | 0.674 | 69% | 0.694 | S | S | * | * | | | | 38 | 139.7 | 124.6 | -41.5 | -22.7 | 0 | 0 | 0 | 118.6 | | |
| 324 | D | 32.2 | Very low | 28.4 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 68% | 0.679 | 70% | 0.695 | S | S | * | * | | | cis | -161.2 | 156.1 | 46.3 | -125.8 | -29.9 | 0 | 0 | 0 | 116.4 | | |
| 325 | Q | 32.2 | Very low | 28.5 | Very low | 132 Ų | 132 | 135 Ų | 135 | 62% | 0.617 | 70% | 0.696 | S | S | * | * | | | trans | 59.2 | 115.7 | 150.9 | -62.2 | -45.9 | -59.1 | 0 | 0 | 123.1 | | |
| 326 | L | 30.2 | Very low | 28.7 | Very low | 138 Ų | 138 | 129.7 Ų | 129.7 | 72% | 0.723 | 69% | 0.689 | S | S | * | * | | | trans | 70.9 | 142 | 130.4 | -52.1 | 171.9 | 0 | 0 | 0 | 119.1 | | |
| 327 | T | 31 | Very low | 28.9 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 62% | 0.62 | 70% | 0.698 | S | S | * | * | | | cis | -164.7 | 154.2 | -2.3 | 10.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 328 | N | 28.6 | Very low | 29 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 65% | 0.652 | 70% | 0.697 | S | S | * | * | | | trans | 38.8 | 145.1 | 131.4 | -59.2 | -3.8 | 0 | 0 | 0 | 121.3 | | |
| 329 | F | 27.9 | Very low | 29.2 | Very low | 135 Ų | 135 | 124.4 Ų | 124.4 | 59% | 0.592 | 70% | 0.698 | S | S | * | * | | | cis | -173.6 | 159.7 | -3 | -119.6 | -44.7 | 0 | 0 | 0 | 109.1 | | |
| 330 | Y | 28.7 | Very low | 29.3 | Very low | 161 Ų | 161 | 125.1 Ų | 125.1 | 63% | 0.631 | 69% | 0.692 | S | S | * | * | | | trans | 65.8 | 157.6 | 148.8 | -65.5 | -35.6 | 0 | 0 | 0 | 118.1 | | |
| 331 | R | 26.8 | Very low | 29.4 | Very low | 166 Ų | 166 | 129 Ų | 129 | 63% | 0.626 | 70% | 0.698 | S | S | * | * | | | cis | -160.2 | 150.3 | -6.8 | -119.4 | 163.8 | -170.1 | -147.7 | -1.8 | 111 | | |
| 332 | F | 29.3 | Very low | 29.6 | Very low | 158 Ų | 158 | 127.1 Ų | 127.1 | 69% | 0.693 | 70% | 0.698 | S | S | * | * | | | trans | 54.2 | 134.7 | 154 | -53.9 | -46.6 | 0 | 0 | 0 | 118.9 | | |
| 333 | S | 27.4 | Very low | 29.5 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | | | cis | 74.6 | 154.4 | 27.3 | -41 | 0 | 0 | 0 | 0 | 114.9 | | |
| 334 | P | 35.3 | Very low | 29.5 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 71% | 0.714 | 71% | 0.71 | S | S | * | * | | | | -139.4 | -160.4 | -51 | 40.8 | -24.5 | 0 | 0 | 0 | 111.6 | | |
| 335 | S | 28 | Very low | 29.3 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | | | trans | 75 | 163 | 157.5 | 82.8 | 0 | 0 | 0 | 0 | 116.7 | | |
| 336 | S | 30 | Very low | 29.2 | Very low | 89 Ų | 89 | 127.9 Ų | 127.9 | 62% | 0.622 | 72% | 0.716 | S | S | * | * | | | cis | -155.3 | 159 | 16.3 | 63.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 337 | N | 29.2 | Very low | 29.2 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | | | trans | 64.5 | 151.6 | 141.4 | -71.4 | 3.6 | 0 | 0 | 0 | 121.3 | | |
| 338 | S | 29.2 | Very low | 29.1 | Very low | 107 Ų | 107 | 131 Ų | 131 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | | | cis | -172.3 | 145.6 | -15.6 | 49.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 339 | G | 29.8 | Very low | 29 | Very low | 66 Ų | 66 | 133 Ų | 133 | 68% | 0.68 | 74% | 0.738 | S | S | * | * | | | trans | 84.3 | 161.5 | 152.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 340 | N | 29.6 | Very low | 28.9 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | | | cis | -147.8 | 152 | -2.9 | -110.6 | 2.2 | 0 | 0 | 0 | 113.1 | | |
| 341 | Y | 26.9 | Very low | 28.7 | Very low | 223 Ų | 223 | 130.7 Ų | 130.7 | 88% | 0.875 | 75% | 0.748 | S | S | * | * | | | trans | -32.2 | 148.1 | 173.3 | -48.6 | -89.8 | 0 | 0 | 0 | 117.9 | | |
| 342 | G | 28.7 | Very low | 28.5 | Very low | 73 Ų | 73 | 132.2 Ų | 132.2 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | | | trans | -151.7 | 21.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 343 | L | 28.1 | Very low | 28.2 | Very low | 169 Ų | 169 | 131.4 Ų | 131.4 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | | | trans | 66.6 | -179.7 | 168.9 | -56.4 | 159.9 | 0 | 0 | 0 | 114.2 | | |
| 344 | P | 30.3 | Very low | 28.2 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | | -136.5 | 165.8 | -85.3 | 42.8 | -25.7 | 0 | 0 | 0 | 116 | | |
| 345 | N | 29.2 | Very low | 27.8 | Very low | 155 Ų | 155 | 135 Ų | 135 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | | | trans | -61.6 | 154.1 | 151.8 | -111.2 | -1.9 | 0 | 0 | 0 | 109.2 | | |
| 346 | P | 29.6 | Very low | 27.6 | Very low | 90 Ų | 90 | 137.5 Ų | 137.5 | 58% | 0.584 | 75% | 0.75 | S | S | * | * | | | | -150.3 | -162.7 | 57.4 | 43.6 | -23.9 | 0 | 0 | 0 | 114.8 | | |
| 347 | E | 30 | Very low | 27.4 | Very low | 175 Ų | 175 | 140 Ų | 140 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | 67.1 | 144.8 | 153 | -75.2 | 159.8 | -146.6 | 0 | 0 | 118.9 | | |
| 348 | V | 28.7 | Very low | 27.2 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 79% | 0.788 | 76% | 0.762 | S | S | * | * | | | cis | -164 | 146.3 | -31.7 | 110.3 | 0 | 0 | 0 | 0 | 106 | | |
| 349 | L | 26.3 | Very low | 27.1 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | | | trans | -61 | 141.6 | 170.4 | -68 | 159.1 | 0 | 0 | 0 | 108.9 | | |
| 350 | P | 24.9 | Very low | 27 | Very low | 104 Ų | 104 | 142.2 Ų | 142.2 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | | | | -159.5 | -166.5 | 53 | 45.6 | -24.2 | 0 | 0 | 0 | 116.9 | | |
| 351 | L | 24.5 | Very low | 26.8 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | | | trans | 56.6 | 119.8 | 149.4 | -71.3 | 167.7 | 0 | 0 | 0 | 121.8 | | |
| 352 | Y | 23 | Very low | 26.7 | Very low | 198 Ų | 198 | 138.1 Ų | 138.1 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | trans | 54.3 | 127.7 | 136 | -89.6 | -102.4 | 0 | 0 | 0 | 122.4 | | |
| 353 | N | 23 | Very low | 26.5 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | | | trans | 58.3 | 122.1 | 158.8 | -64.8 | -12.8 | 0 | 0 | 0 | 118.1 | | |
| 354 | E | 27.2 | Very low | 26.6 | Very low | 167 Ų | 167 | 143.5 Ų | 143.5 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | | | | -173.6 | 152.2 | 101.8 | -99.2 | -166.5 | 153 | 0 | 0 | 113.1 | | |
| 355 | L | 27.2 | Very low | 26.5 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 64% | 0.644 | 73% | 0.731 | S | S | * | * | | | trans | 34.6 | 142.1 | 138 | -55.6 | 171.7 | 0 | 0 | 0 | 120.9 | | |
| 356 | R | 24.2 | Very low | 26.2 | Very low | 164 Ų | 164 | 141 Ų | 141 | 62% | 0.619 | 72% | 0.72 | S | S | * | * | | | cis | -177.2 | -178 | -18 | -127.7 | -174.1 | -151.6 | -124.9 | 3.4 | 106.8 | E359 | R356-E359 VanDerWaalsContact CD-OE2 3.26Å; R356-E359 WeakPolarHBondContact CD-OE2 3.38Å; R356-E359 IonicContact CZ-OE1 3.09Å; R356-E359 IonicContact CZ-OE2 3.38Å; R356-E359 IonicContact NE-OE1 3.48Å; R356-E359 PolarHBondContact NE-OE1 3.4Å; R356-E359 IonicContact NE-OE2 3.56Å; R356-E359 IonicContact NH1-OE1 2.95Å; R356-E359 PolarHBondContact NH1-OE1 3.01Å; R356-E359 IonicContact NH1-OE2 2.69Å; R356-E359 PolarHBondContact NH1-OE2 3.16Å; R356-E359 IonicContact NH2-OE1 3.61Å |
| 357 | N | 25.7 | Very low | 26.2 | Very low | 141 Ų | 141 | 145.3 Ų | 145.3 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 73.7 | 115.1 | 177 | -42.1 | -35.5 | 0 | 0 | 0 | 113.2 | | |
| 358 | C | 25.2 | Very low | 26.2 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 92% | 0.919 | 71% | 0.706 | S | S | * | * | | | cis | -110 | 123.6 | 11.2 | -61.8 | 0 | 0 | 0 | 0 | 113 | | |
| 359 | E | 27.1 | Very low | 26.5 | Very low | 107 Ų | 107 | 137 Ų | 137 | 50% | 0.5 | 69% | 0.689 | S | S | . | * | | | trans | -95.2 | 155.2 | 161.3 | -56.6 | 154.3 | 117.4 | 0 | 0 | 106.9 | R356 | R356-E359 VanDerWaalsContact CD-OE2 3.26Å; R356-E359 WeakPolarHBondContact CD-OE2 3.38Å; R356-E359 IonicContact CZ-OE1 3.09Å; R356-E359 IonicContact CZ-OE2 3.38Å; R356-E359 IonicContact NE-OE1 3.48Å; R356-E359 PolarHBondContact NE-OE1 3.4Å; R356-E359 IonicContact NE-OE2 3.56Å; R356-E359 IonicContact NH1-OE1 2.95Å; R356-E359 PolarHBondContact NH1-OE1 3.01Å; R356-E359 IonicContact NH1-OE2 2.69Å; R356-E359 PolarHBondContact NH1-OE2 3.16Å; R356-E359 IonicContact NH2-OE1 3.61Å |
| 360 | T | 27.1 | Very low | 26.9 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 77% | 0.767 | 67% | 0.669 | S | S | * | * | | | cis | -128.4 | 169 | 8 | 58.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 361 | N | 25.3 | Very low | 27.8 | Very low | 144 Ų | 144 | 133.7 Ų | 133.7 | 77% | 0.77 | 67% | 0.666 | S | S | * | * | | | cis | -123.8 | 129.8 | 28 | -61.2 | -18.6 | 0 | 0 | 0 | 112.6 | | |
| 362 | I | 25.5 | Very low | 28.5 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 71% | 0.708 | 65% | 0.65 | S | S | * | * | | | trans | -86.5 | 120.1 | 160.8 | -65.4 | 168.8 | 0 | 0 | 0 | 107 | H364 | I362-H364 HydrophobicContact CG2-CB 4.04Š|
| 363 | E | 24.8 | Very low | 29.5 | Very low | 164 Ų | 164 | 125.5 Ų | 125.5 | 77% | 0.766 | 64% | 0.635 | S | S | * | * | | | trans | -118 | 60.7 | 158.1 | -69.6 | -150.4 | 136.4 | 0 | 0 | 111.8 | S365 | E363-S365 WeakPolarHBondContact CA-OG 3.46Å; E363-S365 PolarHBondContact O-N 2.98Å |
| 364 | H | 30.2 | Very low | 30.6 | Very low | 192 Ų | 192 | 124.1 Ų | 124.1 | 89% | 0.889 | 62% | 0.622 | S | S | * | * | | | trans | -69.6 | 42 | 143.4 | -84.7 | -55 | 0 | 0 | 0 | 110.4 | I362 | I362-H364 HydrophobicContact CG2-CB 4.04Š|
| 365 | S | 27.4 | Very low | 31.4 | Very low | 57 Ų | 57 | 122.9 Ų | 122.9 | 40% | 0.399 | 61% | 0.61 | S | S | . | * | | | trans | -154.1 | 103.2 | -169.7 | 54.1 | 0 | 0 | 0 | 0 | 109 | E363 | E363-S365 WeakPolarHBondContact CA-OG 3.46Å; E363-S365 PolarHBondContact O-N 2.98Å |
| 366 | R | 24.2 | Very low | 32.1 | Very low | 157 Ų | 157 | 123.1 Ų | 123.1 | 59% | 0.592 | 61% | 0.606 | S | S | * | * | | | cis | -124.2 | 140.6 | -4.4 | -66.6 | 171.2 | 165.4 | 157.2 | -11 | 108.6 | D368 N370 | R366-D368 HydrophobicContact CB-CB 4.17Å; R366-D368 WeakPolarHBondContact O-CA 3.23Å; R366-D368 PolarHBondContact O-N 3.44Å; R366-N370 VanDerWaalsContact CZ-ND2 3.35Å; R366-N370 PolarHBondContact NH1-ND2 2.62Å; R366-N370 PolarHBondContact NH1-OD1 2.9Å |
| 367 | F | 28 | Very low | 33.3 | Very low | 182 Ų | 182 | 117.1 Ų | 117.1 | 80% | 0.798 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -57.2 | 98.2 | 143.8 | -160 | -45.3 | 0 | 0 | 0 | 103.1 | T369 | F367-T369 PolarHBondContact O-N 3.32Å; F367-T369 PolarHBondContact O-OG1 2.81Å |
| 368 | D | 29.6 | Very low | 34 | Very low | 61 Ų | 61 | 114 Ų | 114 | 33% | 0.326 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -77 | 74.1 | -139.8 | -158.8 | -13.1 | 0 | 0 | 0 | 114.2 | R366 N370 L371 L372 | R366-D368 HydrophobicContact CB-CB 4.17Å; R366-D368 WeakPolarHBondContact O-CA 3.23Å; R366-D368 PolarHBondContact O-N 3.44Å; D368-N370 PolarHBondContact O-N 2.88Å; D368-N370 VanDerWaalsContact OD1-C 3.29Å; D368-N370 VanDerWaalsContact OD1-CA 3.27Å; D368-N370 WeakPolarHBondContact OD1-CA 3.1Å; D368-N370 WeakPolarHBondContact OD1-CB 3.41Å; D368-N370 PolarHBondContact OD1-N 3.38Å; D368-L371 HydrophobicContact CB-CB 3.98Å; D368-L371 VanDerWaalsContact CG-N 3.35Å; D368-L371 CarbonylContact O-C 3.58Å; D368-L371 VanDerWaalsContact O-C 3.3Å; D368-L371 WeakPolarHBondContact O-CA 3.39Å; D368-L371 PolarHBondContact O-N 3.29Å; D368-L371 PolarHBondContact OD1-N 3.31Å; D368-L372 WeakPolarHBondContact O-CA 2.97Å; D368-L372 WeakPolarHBondContact O-CB 3.34Å; D368-L372 PolarHBondContact O-N 2.69Å |
| 369 | T | 35.8 | Very low | 34.9 | Very low | 69 Ų | 69 | 111.8 Ų | 111.8 | 42% | 0.423 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 23.9 | 165.9 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | F367 I373 | F367-T369 PolarHBondContact O-N 3.32Å; F367-T369 PolarHBondContact O-OG1 2.81Å; T369-I373 WeakPolarHBondContact O-CB 3.1Å; T369-I373 VanDerWaalsContact O-CD1 3.23Å; T369-I373 WeakPolarHBondContact O-CD1 3.32Å; T369-I373 WeakPolarHBondContact O-CG1 3.33Å |
| 370 | N | 34.1 | Very low | 35.5 | Very low | 81 Ų | 81 | 110.2 Ų | 110.2 | 43% | 0.433 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.3 | 1.1 | 160.9 | -80.6 | -114.1 | 0 | 0 | 0 | 111.8 | R366 D368 K374 | R366-N370 VanDerWaalsContact CZ-ND2 3.35Å; R366-N370 PolarHBondContact NH1-ND2 2.62Å; R366-N370 PolarHBondContact NH1-OD1 2.9Å; D368-N370 PolarHBondContact O-N 2.88Å; D368-N370 VanDerWaalsContact OD1-C 3.29Å; D368-N370 VanDerWaalsContact OD1-CA 3.27Å; D368-N370 WeakPolarHBondContact OD1-CA 3.1Å; D368-N370 WeakPolarHBondContact OD1-CB 3.41Å; D368-N370 PolarHBondContact OD1-N 3.38Å; N370-K374 WeakPolarHBondContact O-CB 3.38Å |
| 371 | L | 45.7 | Very low | 36.2 | Very low | 117 Ų | 117 | 108 Ų | 108 | 61% | 0.613 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | -2.9 | 157.8 | -128.4 | 83.4 | 0 | 0 | 0 | 113.5 | D368 W375 | D368-L371 HydrophobicContact CB-CB 3.98Å; D368-L371 VanDerWaalsContact CG-N 3.35Å; D368-L371 CarbonylContact O-C 3.58Å; D368-L371 VanDerWaalsContact O-C 3.3Å; D368-L371 WeakPolarHBondContact O-CA 3.39Å; D368-L371 PolarHBondContact O-N 3.29Å; D368-L371 PolarHBondContact OD1-N 3.31Å; L371-W375 VanDerWaalsContact C-N 3.32Å; L371-W375 WeakPolarHBondContact O-CB 3.46Å; L371-W375 PolarHBondContact O-N 3.22Å |
| 372 | L | 37.9 | Very low | 37 | Very low | 82 Ų | 82 | 107.9 Ų | 107.9 | 43% | 0.429 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134 | -16.4 | -178.4 | -178.2 | 64.3 | 0 | 0 | 0 | 110.5 | D368 W375 K376 | D368-L372 WeakPolarHBondContact O-CA 2.97Å; D368-L372 WeakPolarHBondContact O-CB 3.34Å; D368-L372 PolarHBondContact O-N 2.69Å; L372-W375 HydrophobicContact CD1-CE3 4.28Å; L372-K376 WeakPolarHBondContact O-CB 3.18Å |
| 373 | I | 44.2 | Very low | 37.6 | Very low | 89 Ų | 89 | 109.4 Ų | 109.4 | 46% | 0.456 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -73.2 | -61.2 | 138.1 | -63.9 | -176.1 | 0 | 0 | 0 | 106 | T369 W375 K376 T377 | T369-I373 WeakPolarHBondContact O-CB 3.1Å; T369-I373 VanDerWaalsContact O-CD1 3.23Å; T369-I373 WeakPolarHBondContact O-CD1 3.32Å; T369-I373 WeakPolarHBondContact O-CG1 3.33Å; I373-W375 VanDerWaalsContact C-N 3.3Å; I373-W375 CarbonylContact O-C 3.6Å; I373-W375 PolarHBondContact O-N 2.95Å; I373-K376 CarbonylContact O-C 3.55Å; I373-K376 VanDerWaalsContact O-C 3.28Å; I373-K376 WeakPolarHBondContact O-CA 3.35Å; I373-K376 PolarHBondContact O-N 3.47Å; I373-T377 WeakPolarHBondContact CG2-OG1 3.35Å; I373-T377 WeakPolarHBondContact O-CA 3.38Å; I373-T377 WeakPolarHBondContact O-CB 3.44Å; I373-T377 PolarHBondContact O-N 2.78Å; I373-T377 PolarHBondContact O-OG1 3.15Å; I373-T377 VanDerWaalsContact O-OG1 3.13Å |
| 374 | K | 47.2 | Very low | 38 | Very low | 110 Ų | 110 | 108.2 Ų | 108.2 | 48% | 0.478 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -54.6 | -29.6 | 179.4 | -173.3 | -179.1 | 172.1 | -177.4 | 0 | 116.1 | N370 T377 D378 | N370-K374 WeakPolarHBondContact O-CB 3.38Å; K374-T377 CarbonylContact O-C 3.23Å; K374-D378 WeakPolarHBondContact CE-OD2 3.33Å; K374-D378 WeakPolarHBondContact CG-OD1 3.21Å; K374-D378 WeakPolarHBondContact CG-OD2 3.31Å; K374-D378 WeakPolarHBondContact O-CA 3.12Å; K374-D378 WeakPolarHBondContact O-CB 3.25Å; K374-D378 PolarHBondContact O-N 3.4Å |
| 375 | W | 43.6 | Very low | 38.1 | Very low | 141 Ų | 141 | 103.3 Ų | 103.3 | 53% | 0.534 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.4 | -43.7 | 168.9 | -167 | 64.9 | 0 | 0 | 0 | 112 | L371 L372 I373 T377 E379 | L371-W375 VanDerWaalsContact C-N 3.32Å; L371-W375 WeakPolarHBondContact O-CB 3.46Å; L371-W375 PolarHBondContact O-N 3.22Å; L372-W375 HydrophobicContact CD1-CE3 4.28Å; I373-W375 VanDerWaalsContact C-N 3.3Å; I373-W375 CarbonylContact O-C 3.6Å; I373-W375 PolarHBondContact O-N 2.95Å; W375-T377 PolarHBondContact O-N 3.04Å; W375-E379 WeakPolarHBondContact O-CB 3.34Å; W375-E379 WeakPolarHBondContact O-CG 3.12Å; W375-E379 PolarHBondContact O-N 2.96Å |
| 376 | K | 41.3 | Very low | 38.3 | Very low | 128 Ų | 128 | 108.4 Ų | 108.4 | 56% | 0.557 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.5 | -13.5 | 172.8 | -164 | 179.8 | -178.8 | -173.6 | 0 | 114 | L372 I373 I380 | L372-K376 WeakPolarHBondContact O-CB 3.18Å; I373-K376 CarbonylContact O-C 3.55Å; I373-K376 VanDerWaalsContact O-C 3.28Å; I373-K376 WeakPolarHBondContact O-CA 3.35Å; I373-K376 PolarHBondContact O-N 3.47Å; K376-I380 HydrophobicContact CG-CD1 4.19Å; K376-I380 WeakPolarHBondContact O-CB 3.43Å; K376-I380 WeakPolarHBondContact O-CD1 2.93Å; K376-I380 WeakPolarHBondContact O-CG1 3.06Å; K376-I380 PolarHBondContact O-N 3.32Å |
| 377 | T | 48.8 | Very low | 38.3 | Very low | 38 Ų | 38 | 106.5 Ų | 106.5 | 23% | 0.233 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -116 | -16.9 | -175.5 | -62.7 | 0 | 0 | 0 | 0 | 111.2 | I373 K374 W375 E379 N381 | I373-T377 WeakPolarHBondContact CG2-OG1 3.35Å; I373-T377 WeakPolarHBondContact O-CA 3.38Å; I373-T377 WeakPolarHBondContact O-CB 3.44Å; I373-T377 PolarHBondContact O-N 2.78Å; I373-T377 PolarHBondContact O-OG1 3.15Å; I373-T377 VanDerWaalsContact O-OG1 3.13Å; K374-T377 CarbonylContact O-C 3.23Å; W375-T377 PolarHBondContact O-N 3.04Å; T377-E379 VanDerWaalsContact C-N 3.3Å; T377-N381 WeakPolarHBondContact CG2-OD1 3.27Å; T377-N381 WeakPolarHBondContact O-CA 3.36Å; T377-N381 WeakPolarHBondContact O-CB 3.42Å; T377-N381 PolarHBondContact O-N 3.4Å; T377-N381 PolarHBondContact O-ND2 3.23Å; T377-N381 PolarHBondContact O-OD1 2.87Å |
| 378 | D | 41.1 | Very low | 38.4 | Very low | 75 Ų | 75 | 104.6 Ų | 104.6 | 40% | 0.401 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -79.8 | -18.9 | 154.1 | -67.2 | -10.9 | 0 | 0 | 0 | 109.4 | K374 K382 | K374-D378 WeakPolarHBondContact CE-OD2 3.33Å; K374-D378 WeakPolarHBondContact CG-OD1 3.21Å; K374-D378 WeakPolarHBondContact CG-OD2 3.31Å; K374-D378 WeakPolarHBondContact O-CA 3.12Å; K374-D378 WeakPolarHBondContact O-CB 3.25Å; K374-D378 PolarHBondContact O-N 3.4Å; D378-K382 WeakPolarHBondContact O-CB 3.1Å; D378-K382 VanDerWaalsContact O-CD 3.24Å; D378-K382 WeakPolarHBondContact O-CD 3.17Å; D378-K382 WeakPolarHBondContact O-CG 3.36Å |
| 379 | E | 43.4 | Very low | 38.5 | Very low | 90 Ų | 90 | 109.3 Ų | 109.3 | 42% | 0.421 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -79 | -51.8 | 162.2 | -77.6 | -174.7 | 145.4 | 0 | 0 | 111.9 | W375 T377 K382 H383 | W375-E379 WeakPolarHBondContact O-CB 3.34Å; W375-E379 WeakPolarHBondContact O-CG 3.12Å; W375-E379 PolarHBondContact O-N 2.96Å; T377-E379 VanDerWaalsContact C-N 3.3Å; E379-K382 PolarHBondContact O-N 3.4Å; E379-H383 PolarHBondContact O-N 2.94Å |
| 380 | I | 40.9 | Very low | 38.1 | Very low | 74 Ų | 74 | 111.3 Ų | 111.3 | 38% | 0.379 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.6 | -43.9 | 179 | -73.3 | 165.2 | 0 | 0 | 0 | 112.1 | K376 K382 H383 E384 | K376-I380 HydrophobicContact CG-CD1 4.19Å; K376-I380 WeakPolarHBondContact O-CB 3.43Å; K376-I380 WeakPolarHBondContact O-CD1 2.93Å; K376-I380 WeakPolarHBondContact O-CG1 3.06Å; K376-I380 PolarHBondContact O-N 3.32Å; I380-K382 VanDerWaalsContact C-N 3.26Å; I380-K382 PolarHBondContact O-N 2.95Å; I380-H383 CarbonylContact O-C 3.43Å; I380-H383 WeakPolarHBondContact O-CA 3.17Å; I380-H383 WeakPolarHBondContact O-CB 3.14Å; I380-H383 PolarHBondContact O-N 2.85Å; I380-E384 HydrophobicContact CG2-CG 4.16Å; I380-E384 WeakPolarHBondContact CG2-OE2 3.49Å; I380-E384 PolarHBondContact O-N 3.17Å |
| 381 | N | 40.6 | Very low | 37.9 | Very low | 78 Ų | 78 | 113.3 Ų | 113.3 | 42% | 0.417 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.3 | -24.5 | 176 | -60.8 | -6.1 | 0 | 0 | 0 | 112.1 | T377 H383 E384 S385 | T377-N381 WeakPolarHBondContact CG2-OD1 3.27Å; T377-N381 WeakPolarHBondContact O-CA 3.36Å; T377-N381 WeakPolarHBondContact O-CB 3.42Å; T377-N381 PolarHBondContact O-N 3.4Å; T377-N381 PolarHBondContact O-ND2 3.23Å; T377-N381 PolarHBondContact O-OD1 2.87Å; N381-H383 PolarHBondContact O-N 3.22Å; N381-E384 PolarHBondContact O-N 3.5Å; N381-S385 WeakPolarHBondContact O-CB 3.33Å; N381-S385 PolarHBondContact O-N 2.93Å; N381-S385 PolarHBondContact O-OG 2.99Å; N381-S385 VanDerWaalsContact O-OG 3.06Å |
| 382 | K | 42.2 | Very low | 37.2 | Very low | 143 Ų | 143 | 113.9 Ų | 113.9 | 62% | 0.622 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.9 | -15.7 | 167.6 | -87.7 | -178.5 | -177.2 | 179.9 | 0 | 113.5 | D378 E379 I380 | D378-K382 WeakPolarHBondContact O-CB 3.1Å; D378-K382 VanDerWaalsContact O-CD 3.24Å; D378-K382 WeakPolarHBondContact O-CD 3.17Å; D378-K382 WeakPolarHBondContact O-CG 3.36Å; E379-K382 PolarHBondContact O-N 3.4Å; I380-K382 VanDerWaalsContact C-N 3.26Å; I380-K382 PolarHBondContact O-N 2.95Å |
| 383 | H | 38.7 | Very low | 36.6 | Very low | 169 Ų | 169 | 118.3 Ų | 118.3 | 78% | 0.782 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -102.6 | -17.8 | 171.4 | -86.6 | -81.5 | 0 | 0 | 0 | 114.1 | E379 I380 N381 | E379-H383 PolarHBondContact O-N 2.94Å; I380-H383 CarbonylContact O-C 3.43Å; I380-H383 WeakPolarHBondContact O-CA 3.17Å; I380-H383 WeakPolarHBondContact O-CB 3.14Å; I380-H383 PolarHBondContact O-N 2.85Å; N381-H383 PolarHBondContact O-N 3.22Å |
| 384 | E | 33.6 | Very low | 36 | Very low | 140 Ų | 140 | 120.3 Ų | 120.3 | 65% | 0.654 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -108.4 | -9.5 | -178.7 | -65.4 | -172.4 | 146.6 | 0 | 0 | 114.6 | I380 N381 N386 | I380-E384 HydrophobicContact CG2-CG 4.16Å; I380-E384 WeakPolarHBondContact CG2-OE2 3.49Å; I380-E384 PolarHBondContact O-N 3.17Å; N381-E384 PolarHBondContact O-N 3.5Å; E384-N386 PolarHBondContact O-N 3.33Å |
| 385 | S | 31.8 | Very low | 35 | Very low | 89 Ų | 89 | 122.3 Ų | 122.3 | 62% | 0.622 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -94.4 | 39.5 | 178.2 | 84.5 | 0 | 0 | 0 | 0 | 114.6 | N381 | N381-S385 WeakPolarHBondContact O-CB 3.33Å; N381-S385 PolarHBondContact O-N 2.93Å; N381-S385 PolarHBondContact O-OG 2.99Å; N381-S385 VanDerWaalsContact O-OG 3.06Å |
| 386 | N | 32.3 | Very low | 34.4 | Very low | 164 Ų | 164 | 123.1 Ų | 123.1 | 88% | 0.877 | 62% | 0.617 | S | S | * | * | | | trans | -157.2 | 55.4 | 163.7 | -115.3 | -6.8 | 0 | 0 | 0 | 113 | E384 | E384-N386 PolarHBondContact O-N 3.33Š|
| 387 | C | 24.4 | Very low | 34.1 | Very low | 116 Ų | 116 | 122.3 Ų | 122.3 | 78% | 0.784 | 63% | 0.628 | S | S | * | * | | | trans | -122.2 | 89.7 | 166 | -85.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 388 | N | 29 | Very low | 33 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 76% | 0.759 | 66% | 0.656 | S | S | * | * | | | trans | -157.5 | 132 | 159.4 | -112.7 | -37.3 | 0 | 0 | 0 | 110.4 | | |
| 389 | H | 31.3 | Very low | 32.6 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 75% | 0.745 | 68% | 0.678 | S | S | * | * | | | trans | 17.1 | 135.8 | 149.1 | -60.1 | -48.6 | 0 | 0 | 0 | 119.7 | | |
| 390 | N | 28.4 | Very low | 31.9 | Very low | 111 Ų | 111 | 141 Ų | 141 | 59% | 0.594 | 70% | 0.701 | S | S | * | * | | | cis | -169.8 | 172.1 | 18 | -127.5 | 19.4 | 0 | 0 | 0 | 112.7 | | |
| 391 | E | 29.6 | Very low | 31.3 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 58% | 0.575 | 72% | 0.721 | S | S | * | * | | | trans | 70.4 | 145.9 | 149.8 | -71.1 | 162.5 | -131.6 | 0 | 0 | 118.7 | | |
| 392 | Y | 30.3 | Very low | 30.7 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 51% | 0.506 | 74% | 0.74 | S | S | . | * | | | cis | -140.3 | -170.4 | -11.5 | -122.9 | -78.6 | 0 | 0 | 0 | 110.2 | E1461 | Y392-E1461 WeakPolarHBondContact CB-OE1 3.33Å; Y392-E1461 VanDerWaalsContact CB-OE2 3.24Å; Y392-E1461 WeakPolarHBondContact CB-OE2 3.4Å; Y392-E1461 PolarHBondContact N-OE2 3.49Å |
| 393 | Y | 26.4 | Very low | 30.1 | Very low | 175 Ų | 175 | 143.4 Ų | 143.4 | 69% | 0.686 | 75% | 0.749 | S | S | * | * | | | trans | -84.8 | 149.5 | -157.6 | -78 | -128.2 | 0 | 0 | 0 | 117.6 | | |
| 394 | T | 30.5 | Very low | 29.7 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | | | | 166.8 | 110.4 | 111.7 | 39.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 395 | E | 27.5 | Very low | 29.5 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | | | | 43.9 | 109.3 | 83 | -64.6 | -162.7 | 127.7 | 0 | 0 | 113.2 | | |
| 396 | D | 31.2 | Very low | 29.4 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | | | | -161.8 | -168 | 70.1 | -155 | -16.7 | 0 | 0 | 0 | 113.1 | | |
| 397 | S | 33.4 | Very low | 29.4 | Very low | 112 Ų | 112 | 142 Ų | 142 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | | | trans | 76.8 | 65.1 | 171.4 | -58.3 | 0 | 0 | 0 | 0 | 118 | | |
| 398 | R | 27.5 | Very low | 29.6 | Very low | 216 Ų | 216 | 146.4 Ų | 146.4 | 82% | 0.815 | 75% | 0.749 | S | S | * | * | | | trans | -74 | 132.5 | 163.6 | -53.4 | 174.3 | -168.5 | 170.6 | 4.9 | 110.7 | | |
| 399 | H | 31.5 | Very low | 29.6 | Very low | 186 Ų | 186 | 147.6 Ų | 147.6 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | | | trans | 159.3 | 65.6 | 142.4 | -81.3 | -34.1 | 0 | 0 | 0 | 113.9 | | |
| 400 | Q | 29.9 | Very low | 29.6 | Very low | 193 Ų | 193 | 146.7 Ų | 146.7 | 90% | 0.902 | 75% | 0.748 | S | S | * | * | | | trans | -160.1 | 61 | 158.8 | -127.3 | 161.6 | 97.9 | 0 | 0 | 112.9 | | |
| 401 | V | 26.5 | Very low | 29.7 | Very low | 133 Ų | 133 | 146.7 Ų | 146.7 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | | | trans | -122.1 | 88 | 179.8 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 402 | A | 28.7 | Very low | 29.7 | Very low | 98 Ų | 98 | 148 Ų | 148 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -154.9 | 12.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 403 | S | 29.4 | Very low | 29.8 | Very low | 115 Ų | 115 | 149.4 Ų | 149.4 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -137.4 | 18.5 | -164.8 | -168.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 404 | T | 30.8 | Very low | 30 | Very low | 114 Ų | 114 | 149 Ų | 149 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -133.4 | 3.8 | -172.6 | 6.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 405 | T | 29.4 | Very low | 29.9 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -100.2 | 0.3 | -174.1 | -22.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 406 | Q | 29.7 | Very low | 30 | Very low | 172 Ų | 172 | 149 Ų | 149 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -91.9 | -19.2 | -172.2 | -148.8 | 73.3 | 25.8 | 0 | 0 | 114.5 | | |
| 407 | D | 32.1 | Very low | 29.9 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -100.6 | -2.3 | -171 | -78.1 | -53.6 | 0 | 0 | 0 | 115.2 | | |
| 408 | Y | 29 | Very low | 29.7 | Very low | 208 Ų | 208 | 147.3 Ų | 147.3 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 5.6 | -179.7 | -122.5 | -90.8 | 0 | 0 | 0 | 115.1 | | |
| 409 | L | 29 | Very low | 30 | Very low | 168 Ų | 168 | 145.8 Ų | 145.8 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 27.1 | 177.3 | -79.3 | 171.2 | 0 | 0 | 0 | 113.4 | | |
| 410 | K | 31.6 | Very low | 29.8 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 62% | 0.617 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -121.1 | 17.6 | -177.3 | -101.4 | 177.2 | -178.8 | 168.4 | 0 | 115.6 | | |
| 411 | T | 30.4 | Very low | 29.7 | Very low | 111 Ų | 111 | 143 Ų | 143 | 68% | 0.681 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -139.8 | 35.4 | -172.6 | 31.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 412 | N | 30 | Very low | 29.7 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | | | trans | -157.7 | 72.5 | 166.6 | -108.8 | -31.1 | 0 | 0 | 0 | 113.8 | | |
| 413 | D | 30.9 | Very low | 29.6 | Very low | 159 Ų | 159 | 144.5 Ų | 144.5 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | | | trans | -142.7 | 51.9 | 178.9 | -145.3 | -6.7 | 0 | 0 | 0 | 112.4 | | |
| 414 | N | 30.5 | Very low | 29.5 | Very low | 165 Ų | 165 | 146.3 Ų | 146.3 | 88% | 0.882 | 75% | 0.751 | S | S | * | * | | | trans | -159.9 | 31.9 | 173.4 | -107.5 | -57.2 | 0 | 0 | 0 | 115.6 | | |
| 415 | I | 28.5 | Very low | 29.5 | Very low | 106 Ų | 106 | 147.8 Ų | 147.8 | 54% | 0.544 | 75% | 0.754 | S | S | . | * | | | trans | -120.7 | 88.8 | 170.9 | -54.2 | -178.4 | 0 | 0 | 0 | 110.9 | | |
| 416 | L | 29.9 | Very low | 29.4 | Very low | 179 Ų | 179 | 149.8 Ų | 149.8 | 94% | 0.937 | 76% | 0.758 | S | S | * | * | | | trans | -153.9 | 104.7 | 151.3 | -125.4 | 155.7 | 0 | 0 | 0 | 110.4 | | |
| 417 | S | 29.8 | Very low | 29.6 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | trans | -83 | 156.2 | -157.5 | -56.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 418 | T | 28.6 | Very low | 29.3 | Very low | 132 Ų | 132 | 146.6 Ų | 146.6 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | | | trans | -66.9 | 125.4 | 155.6 | 33.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 419 | K | 33.8 | Very low | 29.3 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | | | trans | -178.7 | 109.3 | 130.3 | -99 | 160.5 | -177.1 | -178.9 | 0 | 115.5 | | |
| 420 | V | 28.4 | Very low | 29.5 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | | 71.7 | 126.7 | 115.7 | 174.7 | 0 | 0 | 0 | 0 | 122.8 | | |
| 421 | Y | 27.3 | Very low | 29.5 | Very low | 202 Ų | 202 | 145.8 Ų | 145.8 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | | | trans | 82.6 | 117.1 | 151 | -80.4 | -43.1 | 0 | 0 | 0 | 126.6 | | |
| 422 | N | 26.4 | Very low | 29.6 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | trans | 57.3 | 124.1 | 133.3 | -77.9 | 15.2 | 0 | 0 | 0 | 127 | | |
| 423 | Q | 27.2 | Very low | 29.8 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | | | trans | 70.5 | 114.6 | 132.6 | -74.8 | 173.2 | -87.1 | 0 | 0 | 123.4 | | |
| 424 | E | 26.7 | Very low | 29.9 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 72% | 0.715 | 72% | 0.72 | S | S | * | * | | | | 92.5 | 133.9 | 129.3 | -80.9 | 163.8 | -130.2 | 0 | 0 | 123.2 | | |
| 425 | L | 29.6 | Very low | 30 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | | | trans | 71.8 | 81.9 | 157 | -62.4 | 168 | 0 | 0 | 0 | 121.6 | | |
| 426 | I | 28.5 | Very low | 30.3 | Very low | 161 Ų | 161 | 134 Ų | 134 | 83% | 0.826 | 70% | 0.701 | S | S | * | * | | | | 59.4 | 144.9 | 109.5 | -74.5 | 174.6 | 0 | 0 | 0 | 121.1 | | |
| 427 | P | 32.8 | Very low | 30.4 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 71% | 0.714 | 69% | 0.688 | S | S | * | * | | | trans | -132.9 | 178.7 | -145.3 | 44.4 | -28.4 | 0 | 0 | 0 | 117.5 | | |
| 428 | C | 26.5 | Very low | 30.6 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 82% | 0.824 | 69% | 0.693 | S | S | * | * | | | trans | -157.9 | 140.8 | 138.9 | -89.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 429 | K | 30 | Very low | 30.6 | Very low | 193 Ų | 193 | 134.3 Ų | 134.3 | 84% | 0.839 | 68% | 0.684 | S | S | * | * | | | cis | 94.4 | 102.3 | 37.3 | -99.3 | -150.8 | 175 | -162 | 0 | 114.5 | | |
| 430 | Q | 31.4 | Very low | 30.4 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 82% | 0.822 | 69% | 0.689 | S | S | * | * | | | trans | -178.1 | 122.4 | 136.2 | -100 | 162.4 | -16.4 | 0 | 0 | 108.4 | | |
| 431 | N | 31.8 | Very low | 30.6 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | | | | 77.9 | 141.8 | 97.3 | -70.2 | 43 | 0 | 0 | 0 | 113 | | |
| 432 | N | 33.8 | Very low | 30.7 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 57% | 0.572 | 68% | 0.683 | S | S | * | * | | | cis | -156.7 | 134.7 | -7.3 | -119.5 | 37.4 | 0 | 0 | 0 | 107.3 | | |
| 433 | S | 33.9 | Very low | 31 | Very low | 71 Ų | 71 | 129.7 Ų | 129.7 | 50% | 0.497 | 69% | 0.693 | S | S | . | * | | | | 69.9 | 169.2 | 106.4 | 62.5 | 0 | 0 | 0 | 0 | 114 | D1172 E1173 | S433-D1172 VanDerWaalsContact CB-O 3.26Å; S433-D1172 WeakPolarHBondContact CB-O 3.45Å; S433-D1172 PolarHBondContact OG-O 3.48Å; S433-E1173 CarbonylContact C-O 3.22Å; S433-E1173 VanDerWaalsContact C-O 3.22Å |
| 434 | H | 33.5 | Very low | 31.2 | Very low | 74 Ų | 74 | 129.3 Ų | 129.3 | 34% | 0.343 | 70% | 0.696 | S | S | . | * | | | cis | -147.5 | -144.1 | 1.1 | -148.1 | -151.3 | 0 | 0 | 0 | 112.3 | D1171 E1173 | H434-D1171 IonicContact CE1-OD1 3.71Å; H434-D1171 PolarHBondContact CE1-OD1 2.79Å; H434-D1171 IonicContact CE1-OD2 2.68Å; H434-D1171 PolarHBondContact CE1-OD2 3.43Å; H434-D1171 IonicContact ND1-OD1 2.94Å; H434-D1171 PolarHBondContact ND1-OD1 3.38Å; H434-E1173 WeakPolarHBondContact CA-O 3.24Å; H434-E1173 VanDerWaalsContact CB-CA 3.42Å; H434-E1173 VanDerWaalsContact CB-N 3.31Å; H434-E1173 WeakPolarHBondContact CB-O 3.33Å; H434-E1173 PolarHBondContact N-O 2.84Å |
| 435 | N | 32.6 | Very low | 31.3 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 56% | 0.556 | 71% | 0.705 | S | S | * | * | | | trans | -166.2 | 152.7 | -163.2 | 36.2 | -135.4 | 0 | 0 | 0 | 115.8 | | |
| 436 | N | 34.6 | Very low | 31.5 | Very low | 88 Ų | 88 | 130.5 Ų | 130.5 | 47% | 0.471 | 71% | 0.706 | S | S | . | * | | | trans | -165 | 174.4 | 164.2 | -96.8 | -30.3 | 0 | 0 | 0 | 111.1 | E1174 | N436-E1174 HydrophobicContact CB-CG 4.27Å; N436-E1174 WeakPolarHBondContact CB-OE1 3.3Å; N436-E1174 PolarHBondContact ND2-OE1 3.03Å |
| 437 | L | 30.8 | Very low | 31.7 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 68% | 0.675 | 70% | 0.699 | S | S | * | * | | | cis | -163.3 | 174.9 | -41.3 | -160.8 | 59.9 | 0 | 0 | 0 | 111.9 | | |
| 438 | L | 33.4 | Very low | 31.9 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 81% | 0.812 | 69% | 0.692 | S | S | * | * | | | trans | 95.4 | 112.4 | 161.1 | -57 | 166.6 | 0 | 0 | 0 | 117 | | |
| 439 | H | 28.7 | Very low | 32.3 | Very low | 135 Ų | 135 | 129 Ų | 129 | 63% | 0.625 | 69% | 0.689 | S | S | * | * | | | cis | 99.4 | 105.6 | 9.1 | -146.1 | 132.8 | 0 | 0 | 0 | 116.4 | N441 | H439-N441 PolarHBondContact CD2-ND2 3.42Å; H439-N441 PolarHBondContact NE2-ND2 3.01Å |
| 440 | C | 31.2 | Very low | 32.7 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 89% | 0.892 | 69% | 0.687 | S | S | * | * | | | trans | -178.6 | 115.4 | 160.3 | -96.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 441 | N | 31.2 | Very low | 33.2 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 66% | 0.663 | 67% | 0.67 | S | S | * | * | | | cis | 107.3 | 121.3 | 24.1 | -82.5 | -15.3 | 0 | 0 | 0 | 116.6 | H439 | H439-N441 PolarHBondContact CD2-ND2 3.42Å; H439-N441 PolarHBondContact NE2-ND2 3.01Å |
| 442 | S | 30.3 | Very low | 33.7 | Very low | 106 Ų | 106 | 122.3 Ų | 122.3 | 74% | 0.741 | 66% | 0.657 | S | S | * | * | | | trans | 82.3 | 154 | 151.6 | -53.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 443 | I | 33.2 | Very low | 33.9 | Very low | 165 Ų | 165 | 122.3 Ų | 122.3 | 85% | 0.846 | 65% | 0.654 | S | S | * | * | | | trans | 79.3 | 121.7 | 175 | -52.4 | 166.5 | 0 | 0 | 0 | 113.5 | | |
| 444 | D | 30.7 | Very low | 34.1 | Very low | 135 Ų | 135 | 122.4 Ų | 122.4 | 72% | 0.722 | 65% | 0.654 | S | S | * | * | | | cis | -147.2 | 124.8 | 2.4 | -155.1 | -6.6 | 0 | 0 | 0 | 111.9 | T446 | D444-T446 PolarHBondContact O-N 3.35Š|
| 445 | E | 28.7 | Very low | 34.4 | Very low | 195 Ų | 195 | 123 Ų | 123 | 91% | 0.911 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 59.6 | -170 | -161 | 177.5 | -156.6 | 0 | 0 | 113.6 | | |
| 446 | T | 35 | Very low | 35 | Very low | 127 Ų | 127 | 120.5 Ų | 120.5 | 78% | 0.779 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.4 | -7 | 176.6 | -25.6 | 0 | 0 | 0 | 0 | 116.2 | D444 | D444-T446 PolarHBondContact O-N 3.35Š|
| 447 | C | 31.4 | Very low | 35.2 | Very low | 100 Ų | 100 | 119.4 Ų | 119.4 | 68% | 0.676 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -102.6 | -27.7 | -169.5 | -158.9 | 0 | 0 | 0 | 0 | 115.9 | N449 T451 | C447-N449 PolarHBondContact O-N 3.2Å; C447-T451 PolarHBondContact O-OG1 3.49Å |
| 448 | E | 36.9 | Very low | 35.8 | Very low | 121 Ų | 121 | 119 Ų | 119 | 57% | 0.565 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.6 | -31.8 | -168.2 | -82.6 | -153.6 | 113.4 | 0 | 0 | 115.9 | K450 T451 K452 | E448-K450 VanDerWaalsContact C-N 3.28Å; E448-K450 PolarHBondContact O-N 3.13Å; E448-T451 PolarHBondContact O-N 3.01Å; E448-K452 HydrophobicContact CB-CD 4.46Å; E448-K452 VanDerWaalsContact CD-CE 3.48Å; E448-K452 PolarHBondContact O-N 2.81Å; E448-K452 WeakPolarHBondContact OE1-CE 3.15Å; E448-K452 IonicContact OE1-NZ 3.69Å; E448-K452 PolarHBondContact OE1-NZ 3.02Å; E448-K452 IonicContact OE2-NZ 3.76Å; E448-K452 PolarHBondContact OE2-NZ 3.37Å |
| 449 | N | 34.6 | Very low | 36.2 | Very low | 141 Ų | 141 | 117.5 Ų | 117.5 | 75% | 0.754 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -76.3 | -6.5 | -167.4 | -77.9 | -30.5 | 0 | 0 | 0 | 115.3 | C447 | C447-N449 PolarHBondContact O-N 3.2Å |
| 450 | K | 38.6 | Very low | 37.2 | Very low | 183 Ų | 183 | 113.9 Ų | 113.9 | 80% | 0.796 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -96.1 | -35.4 | 169.1 | -76.7 | 177.2 | 178.5 | 172 | 0 | 112.5 | E448 | E448-K450 VanDerWaalsContact C-N 3.28Å; E448-K450 PolarHBondContact O-N 3.13Å |
| 451 | T | 41.5 | Very low | 37.8 | Very low | 75 Ų | 75 | 111.3 Ų | 111.3 | 46% | 0.46 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -71.2 | -41.4 | -178.1 | -32.9 | 0 | 0 | 0 | 0 | 111.8 | C447 E448 Q453 S454 I455 | C447-T451 PolarHBondContact O-OG1 3.49Å; E448-T451 PolarHBondContact O-N 3.01Å; T451-Q453 VanDerWaalsContact C-N 3.33Å; T451-Q453 PolarHBondContact O-N 2.62Å; T451-S454 PolarHBondContact O-N 2.98Å; T451-I455 HydrophobicContact CG2-CD1 3.88Å; T451-I455 WeakPolarHBondContact O-CG1 2.98Å; T451-I455 PolarHBondContact O-N 2.8Å |
| 452 | K | 43.3 | Very low | 38.8 | Very low | 102 Ų | 102 | 109.2 Ų | 109.2 | 44% | 0.443 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.6 | -39.5 | 179.1 | -74.6 | 174.6 | 176 | 168.7 | 0 | 112.6 | E448 V456 | E448-K452 HydrophobicContact CB-CD 4.46Å; E448-K452 VanDerWaalsContact CD-CE 3.48Å; E448-K452 PolarHBondContact O-N 2.81Å; E448-K452 WeakPolarHBondContact OE1-CE 3.15Å; E448-K452 IonicContact OE1-NZ 3.69Å; E448-K452 PolarHBondContact OE1-NZ 3.02Å; E448-K452 IonicContact OE2-NZ 3.76Å; E448-K452 PolarHBondContact OE2-NZ 3.37Å; K452-V456 WeakPolarHBondContact O-CB 3.47Å; K452-V456 VanDerWaalsContact O-CG2 3.3Å; K452-V456 WeakPolarHBondContact O-CG2 3.34Å; K452-V456 PolarHBondContact O-N 3.36Å |
| 453 | Q | 38.5 | Very low | 39.7 | Very low | 107 Ų | 107 | 110.2 Ų | 110.2 | 50% | 0.5 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.9 | -39 | 179.9 | -159.5 | 69.2 | 67.5 | 0 | 0 | 112.7 | T451 N457 | T451-Q453 VanDerWaalsContact C-N 3.33Å; T451-Q453 PolarHBondContact O-N 2.62Å; Q453-N457 WeakPolarHBondContact O-CB 3.1Å; Q453-N457 PolarHBondContact O-N 3.19Å; Q453-N457 VanDerWaalsContact O-N 3.12Å; Q453-N457 PolarHBondContact O-OD1 2.93Å |
| 454 | S | 36.9 | Very low | 40.4 | Very low | 73 Ų | 73 | 105.3 Ų | 105.3 | 51% | 0.51 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.8 | -38.1 | 176.7 | -67 | 0 | 0 | 0 | 0 | 112.9 | T451 L458 | T451-S454 PolarHBondContact O-N 2.98Å; S454-L458 WeakPolarHBondContact O-CG 3.44Å; S454-L458 PolarHBondContact O-N 3.49Å |
| 455 | I | 41.3 | Very low | 41.5 | Very low | 87 Ų | 87 | 103.9 Ų | 103.9 | 45% | 0.446 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.6 | -45.3 | 177.7 | -68.8 | 171.7 | 0 | 0 | 0 | 110.8 | T451 N457 L458 Q459 | T451-I455 HydrophobicContact CG2-CD1 3.88Å; T451-I455 WeakPolarHBondContact O-CG1 2.98Å; T451-I455 PolarHBondContact O-N 2.8Å; I455-N457 PolarHBondContact O-N 2.64Å; I455-L458 PolarHBondContact O-N 3.33Å; I455-Q459 HydrophobicContact CG2-CG 4.46Å; I455-Q459 WeakPolarHBondContact O-CG 3.35Å; I455-Q459 PolarHBondContact O-N 2.96Å |
| 456 | V | 43.4 | Very low | 42.5 | Very low | 51 Ų | 51 | 99.8 Ų | 99.8 | 31% | 0.309 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 175.3 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | K452 L458 Q459 E460 | K452-V456 WeakPolarHBondContact O-CB 3.47Å; K452-V456 VanDerWaalsContact O-CG2 3.3Å; K452-V456 WeakPolarHBondContact O-CG2 3.34Å; K452-V456 PolarHBondContact O-N 3.36Å; V456-L458 VanDerWaalsContact C-N 3.27Å; V456-L458 PolarHBondContact O-N 3.16Å; V456-Q459 PolarHBondContact O-N 3.38Å; V456-E460 HydrophobicContact CG1-CG 4.33Å; V456-E460 PolarHBondContact O-N 2.87Å |
| 457 | N | 39.4 | Very low | 43.5 | Very low | 64 Ų | 64 | 97.2 Ų | 97.2 | 34% | 0.342 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -28.3 | 178.1 | -72 | -3.5 | 0 | 0 | 0 | 113.2 | Q453 I455 N461 | Q453-N457 WeakPolarHBondContact O-CB 3.1Å; Q453-N457 PolarHBondContact O-N 3.19Å; Q453-N457 VanDerWaalsContact O-N 3.12Å; Q453-N457 PolarHBondContact O-OD1 2.93Å; I455-N457 PolarHBondContact O-N 2.64Å; N457-N461 PolarHBondContact O-ND2 2.76Å |
| 458 | L | 42.8 | Very low | 44.3 | Very low | 122 Ų | 122 | 96.6 Ų | 96.6 | 64% | 0.639 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -77.7 | -41 | 173.9 | -81 | 163.6 | 0 | 0 | 0 | 112.2 | S454 I455 V456 T462 | S454-L458 WeakPolarHBondContact O-CG 3.44Å; S454-L458 PolarHBondContact O-N 3.49Å; I455-L458 PolarHBondContact O-N 3.33Å; V456-L458 VanDerWaalsContact C-N 3.27Å; V456-L458 PolarHBondContact O-N 3.16Å; L458-T462 WeakPolarHBondContact O-CG2 3.21Å; L458-T462 PolarHBondContact O-N 2.7Å; L458-T462 PolarHBondContact O-OG1 3.07Å |
| 459 | Q | 43.7 | Very low | 45.5 | Very low | 122 Ų | 122 | 96.4 Ų | 96.4 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.8 | -41.8 | 177.4 | -71.9 | -172.8 | -80.7 | 0 | 0 | 112.2 | I455 V456 T462 F463 | I455-Q459 HydrophobicContact CG2-CG 4.46Å; I455-Q459 WeakPolarHBondContact O-CG 3.35Å; I455-Q459 PolarHBondContact O-N 2.96Å; V456-Q459 PolarHBondContact O-N 3.38Å; Q459-T462 PolarHBondContact O-OG1 3.06Å; Q459-T462 VanDerWaalsContact O-OG1 3.08Å; Q459-F463 WeakPolarHBondContact O-CB 3.35Å; Q459-F463 PolarHBondContact O-N 3.17Å |
| 460 | E | 48 | Very low | 46.4 | Very low | 59 Ų | 59 | 95.7 Ų | 95.7 | 28% | 0.276 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.6 | -36.2 | -176.7 | -73.4 | -176.2 | 158.6 | 0 | 0 | 113.7 | N220 V456 S464 | N220-E460 WeakPolarHBondContact CB-OE2 3.21Å; N220-E460 PolarHBondContact ND2-OE1 3.3Å; N220-E460 PolarHBondContact ND2-OE2 2.86Å; V456-E460 HydrophobicContact CG1-CG 4.33Å; V456-E460 PolarHBondContact O-N 2.87Å; E460-S464 VanDerWaalsContact O-CB 3.28Å; E460-S464 WeakPolarHBondContact O-CB 3.45Å; E460-S464 PolarHBondContact O-N 3.3Å; E460-S464 PolarHBondContact O-OG 2.85Å |
| 461 | N | 44.4 | Very low | 47.4 | Very low | 78 Ų | 78 | 91.8 Ų | 91.8 | 42% | 0.417 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.8 | -44 | 175.4 | -75 | -62.7 | 0 | 0 | 0 | 111 | N457 S464 E465 | N457-N461 PolarHBondContact O-ND2 2.76Å; N461-S464 PolarHBondContact O-N 3.27Å; N461-E465 WeakPolarHBondContact O-CB 2.94Å; N461-E465 PolarHBondContact O-N 2.87Å |
| 462 | T | 53.1 | Low | 47.9 | Very low | 80 Ų | 80 | 89.6 Ų | 89.6 | 49% | 0.491 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.8 | -36.8 | 175.4 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | L458 Q459 M466 | L458-T462 WeakPolarHBondContact O-CG2 3.21Å; L458-T462 PolarHBondContact O-N 2.7Å; L458-T462 PolarHBondContact O-OG1 3.07Å; Q459-T462 PolarHBondContact O-OG1 3.06Å; Q459-T462 VanDerWaalsContact O-OG1 3.08Å; T462-M466 WeakPolarHBondContact O-CB 3.36Å; T462-M466 PolarHBondContact O-N 3.38Å |
| 463 | F | 48.7 | Very low | 48.6 | Very low | 127 Ų | 127 | 89.5 Ų | 89.5 | 56% | 0.557 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -69.4 | -39.7 | 176.2 | -170.9 | -110.4 | 0 | 0 | 0 | 112.5 | Q459 M466 I467 | Q459-F463 WeakPolarHBondContact O-CB 3.35Å; Q459-F463 PolarHBondContact O-N 3.17Å; F463-M466 PolarHBondContact O-N 2.77Å; F463-I467 HydrophobicContact CD1-CD1 3.82Å; F463-I467 HydrophobicContact CE1-CD1 3.37Å; F463-I467 HydrophobicContact CE1-CG1 4.39Å; F463-I467 HydrophobicContact CE2-CD1 4.4Å; F463-I467 HydrophobicContact CZ-CD1 3.71Å; F463-I467 HydrophobicContact CZ-CG1 4.46Å; F463-I467 WeakPolarHBondContact O-CB 3.38Å; F463-I467 WeakPolarHBondContact O-CG1 3.42Å; F463-I467 PolarHBondContact O-N 2.88Å |
| 464 | S | 47.6 | Very low | 49.5 | Very low | 62 Ų | 62 | 91.2 Ų | 91.2 | 43% | 0.434 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 174.8 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | E460 N461 M466 I467 S468 | E460-S464 VanDerWaalsContact O-CB 3.28Å; E460-S464 WeakPolarHBondContact O-CB 3.45Å; E460-S464 PolarHBondContact O-N 3.3Å; E460-S464 PolarHBondContact O-OG 2.85Å; N461-S464 PolarHBondContact O-N 3.27Å; S464-M466 VanDerWaalsContact C-N 3.34Å; S464-I467 PolarHBondContact O-N 3.36Å; S464-S468 PolarHBondContact O-N 2.95Å; S464-S468 PolarHBondContact O-OG 2.88Å |
| 465 | E | 53.8 | Low | 50.2 | Low | 105 Ų | 105 | 95.1 Ų | 95.1 | 49% | 0.491 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 176.1 | -161 | -171.7 | 164.6 | 0 | 0 | 111.8 | N461 S468 K469 | N461-E465 WeakPolarHBondContact O-CB 2.94Å; N461-E465 PolarHBondContact O-N 2.87Å; E465-S468 PolarHBondContact O-N 3.2Å; E465-K469 HydrophobicContact CG-CD 4.28Å; E465-K469 WeakPolarHBondContact O-CB 3.33Å; E465-K469 WeakPolarHBondContact O-CG 3.37Å; E465-K469 PolarHBondContact O-N 3.31Å; E465-K469 VanDerWaalsContact OE1-CE 3.25Å; E465-K469 WeakPolarHBondContact OE1-CE 3.4Å; E465-K469 IonicContact OE1-NZ 2.81Å; E465-K469 PolarHBondContact OE1-NZ 3.37Å |
| 466 | M | 50.7 | Low | 51.2 | Low | 109 Ų | 109 | 95 Ų | 95 | 54% | 0.537 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 173.3 | -170.3 | -172.9 | -54.7 | 0 | 0 | 111.7 | T462 F463 S464 K469 Q470 | T462-M466 WeakPolarHBondContact O-CB 3.36Å; T462-M466 PolarHBondContact O-N 3.38Å; F463-M466 PolarHBondContact O-N 2.77Å; S464-M466 VanDerWaalsContact C-N 3.34Å; M466-K469 PolarHBondContact O-N 3.23Å; M466-Q470 HydrophobicContact CG-CG 4.48Å; M466-Q470 VanDerWaalsContact O-CB 3.31Å; M466-Q470 WeakPolarHBondContact O-CB 3.06Å; M466-Q470 VanDerWaalsContact O-CG 3.25Å; M466-Q470 WeakPolarHBondContact O-CG 3.01Å; M466-Q470 PolarHBondContact O-N 2.63Å |
| 467 | I | 54.2 | Low | 52.4 | Low | 74 Ų | 74 | 97.6 Ų | 97.6 | 38% | 0.379 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 174.7 | -77.6 | -179.9 | 0 | 0 | 0 | 111 | F463 S464 K469 Q470 H471 | F463-I467 HydrophobicContact CD1-CD1 3.82Å; F463-I467 HydrophobicContact CE1-CD1 3.37Å; F463-I467 HydrophobicContact CE1-CG1 4.39Å; F463-I467 HydrophobicContact CE2-CD1 4.4Å; F463-I467 HydrophobicContact CZ-CD1 3.71Å; F463-I467 HydrophobicContact CZ-CG1 4.46Å; F463-I467 WeakPolarHBondContact O-CB 3.38Å; F463-I467 WeakPolarHBondContact O-CG1 3.42Å; F463-I467 PolarHBondContact O-N 2.88Å; S464-I467 PolarHBondContact O-N 3.36Å; I467-K469 PolarHBondContact O-N 3.42Å; I467-Q470 PolarHBondContact O-N 3.26Å; I467-H471 WeakPolarHBondContact O-CB 3.07Å; I467-H471 PolarHBondContact O-CD2 2.65Å; I467-H471 PolarHBondContact O-N 2.85Å |
| 468 | S | 49.2 | Very low | 53.8 | Low | 86 Ų | 86 | 98.1 Ų | 98.1 | 60% | 0.601 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.4 | -39.8 | 176.2 | -68.3 | 0 | 0 | 0 | 0 | 112.6 | S464 E465 G472 | S464-S468 PolarHBondContact O-N 2.95Å; S464-S468 PolarHBondContact O-OG 2.88Å; E465-S468 PolarHBondContact O-N 3.2Å; S468-G472 PolarHBondContact O-N 3.32Å |
| 469 | K | 61.9 | Low | 54.7 | Low | 118 Ų | 118 | 99.5 Ų | 99.5 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.8 | -40.4 | 175.4 | -75.5 | 170.2 | 172.8 | 171 | 0 | 112.4 | E465 M466 I467 N473 | E465-K469 HydrophobicContact CG-CD 4.28Å; E465-K469 WeakPolarHBondContact O-CB 3.33Å; E465-K469 WeakPolarHBondContact O-CG 3.37Å; E465-K469 PolarHBondContact O-N 3.31Å; E465-K469 VanDerWaalsContact OE1-CE 3.25Å; E465-K469 WeakPolarHBondContact OE1-CE 3.4Å; E465-K469 IonicContact OE1-NZ 2.81Å; E465-K469 PolarHBondContact OE1-NZ 3.37Å; M466-K469 PolarHBondContact O-N 3.23Å; I467-K469 PolarHBondContact O-N 3.42Å; K469-N473 VanDerWaalsContact O-CB 3.3Å; K469-N473 WeakPolarHBondContact O-CB 3.39Å; K469-N473 VanDerWaalsContact O-CG 3.22Å; K469-N473 PolarHBondContact O-N 3.11Å; K469-N473 PolarHBondContact O-OD1 2.77Å |
| 470 | Q | 53.8 | Low | 56 | Low | 125 Ų | 125 | 97.4 Ų | 97.4 | 58% | 0.584 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.2 | -46.7 | 175.3 | -75.6 | -71.1 | -2.2 | 0 | 0 | 111.8 | M466 I467 Y474 | M466-Q470 HydrophobicContact CG-CG 4.48Å; M466-Q470 VanDerWaalsContact O-CB 3.31Å; M466-Q470 WeakPolarHBondContact O-CB 3.06Å; M466-Q470 VanDerWaalsContact O-CG 3.25Å; M466-Q470 WeakPolarHBondContact O-CG 3.01Å; M466-Q470 PolarHBondContact O-N 2.63Å; I467-Q470 PolarHBondContact O-N 3.26Å; Q470-Y474 WeakPolarHBondContact O-CB 3.4Å; Q470-Y474 PolarHBondContact O-N 3.38Å |
| 471 | H | 58.6 | Low | 57.1 | Low | 101 Ų | 101 | 100.2 Ų | 100.2 | 47% | 0.468 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.1 | -38.9 | 175.8 | -85.5 | -87.7 | 0 | 0 | 0 | 112.6 | I467 Y474 Y475 | I467-H471 WeakPolarHBondContact O-CB 3.07Å; I467-H471 PolarHBondContact O-CD2 2.65Å; I467-H471 PolarHBondContact O-N 2.85Å; H471-Y474 PolarHBondContact O-N 2.89Å; H471-Y475 WeakPolarHBondContact O-CD2 3.16Å; H471-Y475 PolarHBondContact O-N 3.33Å |
| 472 | G | 52.9 | Low | 58.3 | Low | 29 Ų | 29 | 99.9 Ų | 99.9 | 30% | 0.299 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.6 | -57.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S468 Y474 Y475 D476 | S468-G472 PolarHBondContact O-N 3.32Å; G472-Y474 VanDerWaalsContact C-N 3.26Å; G472-Y474 PolarHBondContact O-N 3.43Å; G472-Y475 PolarHBondContact O-N 3.09Å; G472-Y475 VanDerWaalsContact O-N 3.16Å; G472-D476 PolarHBondContact O-N 3.14Å |
| 473 | N | 57.9 | Low | 59.3 | Low | 100 Ų | 100 | 99.8 Ų | 99.8 | 54% | 0.535 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.4 | -34 | 176.7 | -69.9 | 0.6 | 0 | 0 | 0 | 112.6 | K469 N477 | K469-N473 VanDerWaalsContact O-CB 3.3Å; K469-N473 WeakPolarHBondContact O-CB 3.39Å; K469-N473 VanDerWaalsContact O-CG 3.22Å; K469-N473 PolarHBondContact O-N 3.11Å; K469-N473 PolarHBondContact O-OD1 2.77Å; N473-N477 WeakPolarHBondContact O-CB 3.42Å; N473-N477 PolarHBondContact O-N 3.4Å; N473-N477 PolarHBondContact O-ND2 2.88Å |
| 474 | Y | 56.5 | Low | 60.4 | Low | 144 Ų | 144 | 99.3 Ų | 99.3 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.6 | -43.9 | 176.2 | -177 | -101.7 | 0 | 0 | 0 | 112.2 | Q470 H471 G472 I478 | Q470-Y474 WeakPolarHBondContact O-CB 3.4Å; Q470-Y474 PolarHBondContact O-N 3.38Å; H471-Y474 PolarHBondContact O-N 2.89Å; G472-Y474 VanDerWaalsContact C-N 3.26Å; G472-Y474 PolarHBondContact O-N 3.43Å; Y474-I478 HydrophobicContact CD1-CD1 3.89Å; Y474-I478 HydrophobicContact CE1-CD1 3.39Å; Y474-I478 HydrophobicContact CE2-CD1 4.26Å; Y474-I478 WeakPolarHBondContact O-CG1 3.26Å; Y474-I478 PolarHBondContact O-N 3.34Å |
| 475 | Y | 52.4 | Low | 61.5 | Low | 155 Ų | 155 | 100.8 Ų | 100.8 | 61% | 0.608 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -69.5 | -40.2 | 175.9 | -76.4 | -60.7 | 0 | 0 | 0 | 112.5 | H471 G472 I478 R479 | H471-Y475 WeakPolarHBondContact O-CD2 3.16Å; H471-Y475 PolarHBondContact O-N 3.33Å; G472-Y475 PolarHBondContact O-N 3.09Å; G472-Y475 VanDerWaalsContact O-N 3.16Å; Y475-I478 PolarHBondContact O-N 3.43Å; Y475-R479 VanDerWaalsContact O-CB 3.3Å; Y475-R479 WeakPolarHBondContact O-CB 3.45Å; Y475-R479 PolarHBondContact O-N 3.48Å |
| 476 | D | 61.7 | Low | 62.2 | Low | 84 Ų | 84 | 100 Ų | 100 | 45% | 0.449 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.8 | -34.8 | 174.8 | -82.9 | -46 | 0 | 0 | 0 | 112.1 | G472 R479 T480 | G472-D476 PolarHBondContact O-N 3.14Å; D476-R479 CarbonylContact O-C 3.58Å; D476-R479 WeakPolarHBondContact O-CB 3.3Å; D476-R479 PolarHBondContact O-N 2.92Å; D476-R479 IonicContact OD1-NH1 2.9Å; D476-T480 WeakPolarHBondContact O-CG2 3.24Å; D476-T480 PolarHBondContact O-N 2.68Å; D476-T480 PolarHBondContact O-OG1 2.86Å; D476-T480 VanDerWaalsContact O-OG1 3.13Å |
| 477 | N | 68.2 | Low | 63.3 | Low | 105 Ų | 105 | 97.6 Ų | 97.6 | 56% | 0.561 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.2 | -39.2 | 172.2 | -76.4 | -15.1 | 0 | 0 | 0 | 112.5 | N473 R479 T480 H481 | N473-N477 WeakPolarHBondContact O-CB 3.42Å; N473-N477 PolarHBondContact O-N 3.4Å; N473-N477 PolarHBondContact O-ND2 2.88Å; N477-R479 VanDerWaalsContact C-N 3.28Å; N477-R479 PolarHBondContact O-N 3.29Å; N477-T480 WeakPolarHBondContact CA-OG1 3.43Å; N477-T480 PolarHBondContact O-OG1 3.45Å; N477-T480 VanDerWaalsContact O-OG1 3.14Å; N477-H481 WeakPolarHBondContact O-CB 3.42Å; N477-H481 PolarHBondContact O-N 2.97Å |
| 478 | I | 68.7 | Low | 63.9 | Low | 75 Ų | 75 | 98.4 Ų | 98.4 | 39% | 0.385 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 170.8 | -75 | 173.2 | 0 | 0 | 0 | 110 | Y474 Y475 T482 | Y474-I478 HydrophobicContact CD1-CD1 3.89Å; Y474-I478 HydrophobicContact CE1-CD1 3.39Å; Y474-I478 HydrophobicContact CE2-CD1 4.26Å; Y474-I478 WeakPolarHBondContact O-CG1 3.26Å; Y474-I478 PolarHBondContact O-N 3.34Å; Y475-I478 PolarHBondContact O-N 3.43Å; I478-T482 VanDerWaalsContact O-CB 3.27Å; I478-T482 WeakPolarHBondContact O-CB 3.38Å; I478-T482 PolarHBondContact O-N 2.87Å; I478-T482 PolarHBondContact O-OG1 3.38Å |
| 479 | R | 63.6 | Low | 64.9 | Low | 152 Ų | 152 | 98.9 Ų | 98.9 | 57% | 0.574 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.9 | -45.7 | 179.5 | -175.8 | 176.4 | 173.4 | -128.1 | -4.7 | 112.2 | Y475 D476 N477 T482 I483 | Y475-R479 VanDerWaalsContact O-CB 3.3Å; Y475-R479 WeakPolarHBondContact O-CB 3.45Å; Y475-R479 PolarHBondContact O-N 3.48Å; D476-R479 CarbonylContact O-C 3.58Å; D476-R479 WeakPolarHBondContact O-CB 3.3Å; D476-R479 PolarHBondContact O-N 2.92Å; D476-R479 IonicContact OD1-NH1 2.9Å; N477-R479 VanDerWaalsContact C-N 3.28Å; N477-R479 PolarHBondContact O-N 3.29Å; R479-T482 PolarHBondContact O-N 3.28Å; R479-I483 HydrophobicContact CG-CD1 4.07Å; R479-I483 WeakPolarHBondContact O-CB 3.29Å; R479-I483 VanDerWaalsContact O-CG1 3.26Å; R479-I483 WeakPolarHBondContact O-CG1 3.48Å; R479-I483 PolarHBondContact O-N 2.95Å |
| 480 | T | 70.3 | Confident | 65.4 | Low | 78 Ų | 78 | 98.6 Ų | 98.6 | 48% | 0.479 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 175.2 | 53.8 | 0 | 0 | 0 | 0 | 111.1 | D476 N477 T482 I483 Q484 | D476-T480 WeakPolarHBondContact O-CG2 3.24Å; D476-T480 PolarHBondContact O-N 2.68Å; D476-T480 PolarHBondContact O-OG1 2.86Å; D476-T480 VanDerWaalsContact O-OG1 3.13Å; N477-T480 WeakPolarHBondContact CA-OG1 3.43Å; N477-T480 PolarHBondContact O-OG1 3.45Å; N477-T480 VanDerWaalsContact O-OG1 3.14Å; T480-T482 VanDerWaalsContact C-N 3.32Å; T480-T482 PolarHBondContact O-N 2.83Å; T480-I483 PolarHBondContact O-N 3.37Å; T480-Q484 VanDerWaalsContact O-CB 3.24Å; T480-Q484 WeakPolarHBondContact O-CB 3.28Å; T480-Q484 PolarHBondContact O-N 3.16Å |
| 481 | H | 71.9 | Confident | 66.1 | Low | 118 Ų | 118 | 97.7 Ų | 97.7 | 55% | 0.546 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.2 | -31 | 176.9 | -161.3 | -43.9 | 0 | 0 | 0 | 112.5 | N477 Q485 | N477-H481 WeakPolarHBondContact O-CB 3.42Å; N477-H481 PolarHBondContact O-N 2.97Å; H481-Q485 VanDerWaalsContact O-CB 3.24Å; H481-Q485 WeakPolarHBondContact O-CB 3.44Å; H481-Q485 PolarHBondContact O-N 3.31Å |
| 482 | T | 68.5 | Low | 66.5 | Low | 70 Ų | 70 | 97.4 Ų | 97.4 | 43% | 0.429 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.6 | -39.6 | 172.6 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | I478 R479 T480 R486 | I478-T482 VanDerWaalsContact O-CB 3.27Å; I478-T482 WeakPolarHBondContact O-CB 3.38Å; I478-T482 PolarHBondContact O-N 2.87Å; I478-T482 PolarHBondContact O-OG1 3.38Å; R479-T482 PolarHBondContact O-N 3.28Å; T480-T482 VanDerWaalsContact C-N 3.32Å; T480-T482 PolarHBondContact O-N 2.83Å; T482-R486 WeakPolarHBondContact O-CB 3.27Å; T482-R486 PolarHBondContact O-N 3.3Å |
| 483 | I | 74.4 | Confident | 67.1 | Low | 79 Ų | 79 | 101 Ų | 101 | 41% | 0.405 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 173.6 | -70.2 | 164.5 | 0 | 0 | 0 | 110.2 | R479 T480 R486 T487 | R479-I483 HydrophobicContact CG-CD1 4.07Å; R479-I483 WeakPolarHBondContact O-CB 3.29Å; R479-I483 VanDerWaalsContact O-CG1 3.26Å; R479-I483 WeakPolarHBondContact O-CG1 3.48Å; R479-I483 PolarHBondContact O-N 2.95Å; T480-I483 PolarHBondContact O-N 3.37Å; I483-R486 CarbonylContact O-C 3.43Å; I483-R486 PolarHBondContact O-N 3.4Å; I483-T487 HydrophobicContact CG2-CG2 4.47Å; I483-T487 WeakPolarHBondContact O-CG2 3.48Å; I483-T487 PolarHBondContact O-N 2.98Å; I483-T487 PolarHBondContact O-OG1 3.27Å |
| 484 | Q | 71.5 | Confident | 67.6 | Low | 116 Ų | 116 | 102.5 Ų | 102.5 | 54% | 0.542 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.4 | -35.7 | -179.9 | -170.7 | 173.2 | 6.7 | 0 | 0 | 112.2 | T480 T487 M488 | T480-Q484 VanDerWaalsContact O-CB 3.24Å; T480-Q484 WeakPolarHBondContact O-CB 3.28Å; T480-Q484 PolarHBondContact O-N 3.16Å; Q484-T487 WeakPolarHBondContact CA-OG1 3.25Å; Q484-T487 PolarHBondContact O-OG1 3.08Å; Q484-M488 WeakPolarHBondContact O-CG 3.35Å; Q484-M488 PolarHBondContact O-N 3.43Å |
| 485 | Q | 70.5 | Confident | 68 | Low | 93 Ų | 93 | 98.8 Ų | 98.8 | 44% | 0.435 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | 168.8 | -179.6 | 173.6 | -14.5 | 0 | 0 | 110.6 | H481 T487 M488 E489 | H481-Q485 VanDerWaalsContact O-CB 3.24Å; H481-Q485 WeakPolarHBondContact O-CB 3.44Å; H481-Q485 PolarHBondContact O-N 3.31Å; Q485-T487 PolarHBondContact O-N 3.37Å; Q485-M488 PolarHBondContact O-N 3.01Å; Q485-E489 HydrophobicContact CG-CG 4.44Å; Q485-E489 WeakPolarHBondContact CG-OE1 3.4Å; Q485-E489 PolarHBondContact NE2-OE1 3.49Å; Q485-E489 WeakPolarHBondContact O-CG 3.23Å; Q485-E489 PolarHBondContact O-N 2.96Å |
| 486 | R | 69.1 | Low | 68.2 | Low | 90 Ų | 90 | 95.5 Ų | 95.5 | 34% | 0.34 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 176.2 | -170.4 | 179.6 | -63.8 | -165.9 | 1.4 | 112.4 | T482 I483 M488 E489 E490 S648 | T482-R486 WeakPolarHBondContact O-CB 3.27Å; T482-R486 PolarHBondContact O-N 3.3Å; I483-R486 CarbonylContact O-C 3.43Å; I483-R486 PolarHBondContact O-N 3.4Å; R486-M488 VanDerWaalsContact C-N 3.3Å; R486-M488 PolarHBondContact O-N 3.32Å; R486-E489 PolarHBondContact O-N 2.98Å; R486-E490 VanDerWaalsContact CD-OE1 3.28Å; R486-E490 WeakPolarHBondContact CD-OE1 3.39Å; R486-E490 HydrophobicContact CG-CG 4.22Å; R486-E490 VanDerWaalsContact CG-OE1 3.32Å; R486-E490 WeakPolarHBondContact CG-OE1 3.4Å; R486-E490 VanDerWaalsContact O-CB 3.31Å; R486-E490 WeakPolarHBondContact O-CB 3.32Å; R486-E490 VanDerWaalsContact O-CG 3.3Å; R486-E490 WeakPolarHBondContact O-CG 3.11Å; R486-E490 PolarHBondContact O-N 2.91Å; R486-S648 PolarHBondContact NH1-OG 3.41Å |
| 487 | T | 72.7 | Confident | 68 | Low | 57 Ų | 57 | 95.8 Ų | 95.8 | 35% | 0.35 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.6 | -30.3 | 175.4 | 58.3 | 0 | 0 | 0 | 0 | 111.9 | I483 Q484 Q485 D491 | I483-T487 HydrophobicContact CG2-CG2 4.47Å; I483-T487 WeakPolarHBondContact O-CG2 3.48Å; I483-T487 PolarHBondContact O-N 2.98Å; I483-T487 PolarHBondContact O-OG1 3.27Å; Q484-T487 WeakPolarHBondContact CA-OG1 3.25Å; Q484-T487 PolarHBondContact O-OG1 3.08Å; Q485-T487 PolarHBondContact O-N 3.37Å; T487-D491 WeakPolarHBondContact O-CB 3.26Å; T487-D491 PolarHBondContact O-N 2.81Å |
| 488 | M | 68.3 | Low | 67.5 | Low | 92 Ų | 92 | 95.1 Ų | 95.1 | 45% | 0.453 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -71.8 | -36.9 | 170.5 | -73 | -175.1 | -58.6 | 0 | 0 | 112.5 | Q484 Q485 R486 I492 | Q484-M488 WeakPolarHBondContact O-CG 3.35Å; Q484-M488 PolarHBondContact O-N 3.43Å; Q485-M488 PolarHBondContact O-N 3.01Å; R486-M488 VanDerWaalsContact C-N 3.3Å; R486-M488 PolarHBondContact O-N 3.32Å; M488-I492 VanDerWaalsContact O-CB 3.23Å; M488-I492 WeakPolarHBondContact O-CB 3.07Å; M488-I492 WeakPolarHBondContact O-CD1 3.24Å; M488-I492 WeakPolarHBondContact O-CG1 3.22Å; M488-I492 PolarHBondContact O-N 3.34Å |
| 489 | E | 70.1 | Confident | 66.6 | Low | 96 Ų | 96 | 95.9 Ų | 95.9 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 172.9 | -73.3 | 166.5 | -177.3 | 0 | 0 | 110.4 | Q485 R486 I492 D493 | Q485-E489 HydrophobicContact CG-CG 4.44Å; Q485-E489 WeakPolarHBondContact CG-OE1 3.4Å; Q485-E489 PolarHBondContact NE2-OE1 3.49Å; Q485-E489 WeakPolarHBondContact O-CG 3.23Å; Q485-E489 PolarHBondContact O-N 2.96Å; R486-E489 PolarHBondContact O-N 2.98Å; E489-I492 PolarHBondContact O-N 3.12Å; E489-D493 WeakPolarHBondContact O-CB 3.24Å; E489-D493 PolarHBondContact O-N 3.3Å |
| 490 | E | 71.7 | Confident | 65.7 | Low | 112 Ų | 112 | 96.5 Ų | 96.5 | 52% | 0.523 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 172.6 | -72.6 | 168.7 | -172.7 | 0 | 0 | 111.6 | R486 D493 Q494 | R486-E490 VanDerWaalsContact CD-OE1 3.28Å; R486-E490 WeakPolarHBondContact CD-OE1 3.39Å; R486-E490 HydrophobicContact CG-CG 4.22Å; R486-E490 VanDerWaalsContact CG-OE1 3.32Å; R486-E490 WeakPolarHBondContact CG-OE1 3.4Å; R486-E490 VanDerWaalsContact O-CB 3.31Å; R486-E490 WeakPolarHBondContact O-CB 3.32Å; R486-E490 VanDerWaalsContact O-CG 3.3Å; R486-E490 WeakPolarHBondContact O-CG 3.11Å; R486-E490 PolarHBondContact O-N 2.91Å; E490-D493 PolarHBondContact O-N 2.79Å; E490-Q494 WeakPolarHBondContact O-CB 3.35Å; E490-Q494 PolarHBondContact O-N 3.12Å |
| 491 | D | 68.6 | Low | 64.6 | Low | 105 Ų | 105 | 96.5 Ų | 96.5 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.6 | -34.9 | 175.2 | -80.4 | -30 | 0 | 0 | 0 | 112.1 | T487 S495 | T487-D491 WeakPolarHBondContact O-CB 3.26Å; T487-D491 PolarHBondContact O-N 2.81Å; D491-S495 WeakPolarHBondContact O-CB 3.42Å; D491-S495 PolarHBondContact O-N 3.01Å; D491-S495 PolarHBondContact O-OG 3.03Å |
| 492 | I | 67.8 | Low | 63.3 | Low | 95 Ų | 95 | 94 Ų | 94 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -72 | -44.3 | 175.5 | -75 | 166.2 | 0 | 0 | 0 | 110.3 | M488 E489 S495 N496 | M488-I492 VanDerWaalsContact O-CB 3.23Å; M488-I492 WeakPolarHBondContact O-CB 3.07Å; M488-I492 WeakPolarHBondContact O-CD1 3.24Å; M488-I492 WeakPolarHBondContact O-CG1 3.22Å; M488-I492 PolarHBondContact O-N 3.34Å; E489-I492 PolarHBondContact O-N 3.12Å; I492-S495 CarbonylContact O-C 3.39Å; I492-S495 PolarHBondContact O-N 3.46Å; I492-N496 WeakPolarHBondContact CG2-ND2 3.06Å; I492-N496 VanDerWaalsContact O-CB 3.24Å; I492-N496 WeakPolarHBondContact O-CB 3.06Å; I492-N496 PolarHBondContact O-N 3.36Å; I492-N496 PolarHBondContact O-ND2 2.88Å; I492-N496 VanDerWaalsContact O-ND2 3.16Å |
| 493 | D | 64.5 | Low | 62 | Low | 106 Ų | 106 | 96.6 Ų | 96.6 | 57% | 0.567 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.4 | -36.7 | 176.1 | -78.1 | -11.5 | 0 | 0 | 0 | 111.2 | E489 E490 N496 D497 | E489-D493 WeakPolarHBondContact O-CB 3.24Å; E489-D493 PolarHBondContact O-N 3.3Å; E490-D493 PolarHBondContact O-N 2.79Å; D493-N496 PolarHBondContact O-N 3.3Å; D493-D497 WeakPolarHBondContact O-CB 3.4Å; D493-D497 PolarHBondContact O-N 3.05Å |
| 494 | Q | 68.2 | Low | 60.3 | Low | 130 Ų | 130 | 97.3 Ų | 97.3 | 61% | 0.607 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.8 | -36.6 | 172.7 | -159.1 | 102 | 106.8 | 0 | 0 | 111.4 | E490 V498 | E490-Q494 WeakPolarHBondContact O-CB 3.35Å; E490-Q494 PolarHBondContact O-N 3.12Å; Q494-V498 VanDerWaalsContact O-CB 3.29Å; Q494-V498 WeakPolarHBondContact O-CB 3.39Å; Q494-V498 WeakPolarHBondContact O-CG2 3.49Å; Q494-V498 PolarHBondContact O-N 3.49Å |
| 495 | S | 64.5 | Low | 58.6 | Low | 66 Ų | 66 | 98 Ų | 98 | 46% | 0.462 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.8 | -37 | 173.2 | -64.1 | 0 | 0 | 0 | 0 | 112 | D491 I492 V498 L499 | D491-S495 WeakPolarHBondContact O-CB 3.42Å; D491-S495 PolarHBondContact O-N 3.01Å; D491-S495 PolarHBondContact O-OG 3.03Å; I492-S495 CarbonylContact O-C 3.39Å; I492-S495 PolarHBondContact O-N 3.46Å; S495-V498 PolarHBondContact O-N 3.06Å; S495-L499 VanDerWaalsContact O-CB 3.28Å; S495-L499 WeakPolarHBondContact O-CB 3.3Å; S495-L499 VanDerWaalsContact O-CG 3.24Å; S495-L499 WeakPolarHBondContact O-CG 3.39Å; S495-L499 PolarHBondContact O-N 2.93Å |
| 496 | N | 56.7 | Low | 56.7 | Low | 86 Ų | 86 | 97.6 Ų | 97.6 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.5 | -42.4 | 173.6 | -76.6 | -32.9 | 0 | 0 | 0 | 110.6 | I492 D493 L499 Y500 | I492-N496 WeakPolarHBondContact CG2-ND2 3.06Å; I492-N496 VanDerWaalsContact O-CB 3.24Å; I492-N496 WeakPolarHBondContact O-CB 3.06Å; I492-N496 PolarHBondContact O-N 3.36Å; I492-N496 PolarHBondContact O-ND2 2.88Å; I492-N496 VanDerWaalsContact O-ND2 3.16Å; D493-N496 PolarHBondContact O-N 3.3Å; N496-L499 CarbonylContact O-C 3.46Å; N496-L499 PolarHBondContact O-N 2.79Å; N496-Y500 WeakPolarHBondContact O-CB 3.48Å; N496-Y500 PolarHBondContact O-N 3.01Å |
| 497 | D | 57.5 | Low | 54.7 | Low | 90 Ų | 90 | 101.8 Ų | 101.8 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 171.9 | -98 | -13.9 | 0 | 0 | 0 | 111 | D493 N501 | D493-D497 WeakPolarHBondContact O-CB 3.4Å; D493-D497 PolarHBondContact O-N 3.05Å; D497-N501 WeakPolarHBondContact O-CA 3.42Å; D497-N501 WeakPolarHBondContact O-CB 3.38Å; D497-N501 PolarHBondContact O-N 3.42Å; D497-N501 PolarHBondContact O-ND2 3.21Å |
| 498 | V | 58 | Low | 52.7 | Low | 92 Ų | 92 | 107.4 Ų | 107.4 | 56% | 0.558 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.7 | -34.5 | 174.3 | 166.4 | 0 | 0 | 0 | 0 | 111.3 | Q494 S495 S502 | Q494-V498 VanDerWaalsContact O-CB 3.29Å; Q494-V498 WeakPolarHBondContact O-CB 3.39Å; Q494-V498 WeakPolarHBondContact O-CG2 3.49Å; Q494-V498 PolarHBondContact O-N 3.49Å; S495-V498 PolarHBondContact O-N 3.06Å; V498-S502 WeakPolarHBondContact O-CA 3.34Å; V498-S502 WeakPolarHBondContact O-CB 3.36Å; V498-S502 PolarHBondContact O-N 2.99Å; V498-S502 PolarHBondContact O-OG 3.23Å |
| 499 | L | 49.6 | Very low | 50.8 | Low | 90 Ų | 90 | 109.4 Ų | 109.4 | 47% | 0.471 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -73.9 | -39.5 | 174.2 | -77.1 | 169.6 | 0 | 0 | 0 | 112.2 | S495 N496 S502 M503 | S495-L499 VanDerWaalsContact O-CB 3.28Å; S495-L499 WeakPolarHBondContact O-CB 3.3Å; S495-L499 VanDerWaalsContact O-CG 3.24Å; S495-L499 WeakPolarHBondContact O-CG 3.39Å; S495-L499 PolarHBondContact O-N 2.93Å; N496-L499 CarbonylContact O-C 3.46Å; N496-L499 PolarHBondContact O-N 2.79Å; L499-S502 WeakPolarHBondContact CA-OG 3.44Å; L499-S502 PolarHBondContact O-OG 3.3Å; L499-M503 HydrophobicContact CB-CE 3.96Å; L499-M503 VanDerWaalsContact O-CB 3.26Å; L499-M503 WeakPolarHBondContact O-CB 3.45Å; L499-M503 WeakPolarHBondContact O-CE 3.37Å; L499-M503 VanDerWaalsContact O-CG 3.31Å; L499-M503 WeakPolarHBondContact O-CG 2.76Å; L499-M503 PolarHBondContact O-N 3.45Å |
| 500 | Y | 45.1 | Very low | 49 | Very low | 165 Ų | 165 | 112.4 Ų | 112.4 | 65% | 0.647 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -74.7 | -39.1 | 179.7 | -157.9 | -95.2 | 0 | 0 | 0 | 110.7 | N496 N504 | N496-Y500 WeakPolarHBondContact O-CB 3.48Å; N496-Y500 PolarHBondContact O-N 3.01Å; Y500-N504 WeakPolarHBondContact CD1-ND2 3.07Å; Y500-N504 WeakPolarHBondContact O-CB 3.24Å; Y500-N504 PolarHBondContact O-N 3.32Å; Y500-N504 PolarHBondContact O-ND2 2.97Å |
| 501 | N | 47.2 | Very low | 46.9 | Very low | 79 Ų | 79 | 111.2 Ų | 111.2 | 42% | 0.422 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -71.5 | -38.2 | 169.6 | -72.5 | -70.7 | 0 | 0 | 0 | 111.7 | D497 N504 L505 | D497-N501 WeakPolarHBondContact O-CA 3.42Å; D497-N501 WeakPolarHBondContact O-CB 3.38Å; D497-N501 PolarHBondContact O-N 3.42Å; D497-N501 PolarHBondContact O-ND2 3.21Å; N501-N504 CarbonylContact O-C 3.42Å; N501-N504 PolarHBondContact O-N 3.4Å; N501-L505 HydrophobicContact CB-CD1 4.4Å; N501-L505 VanDerWaalsContact O-CB 3.23Å; N501-L505 WeakPolarHBondContact O-CB 3.43Å; N501-L505 VanDerWaalsContact O-CD1 3.27Å; N501-L505 WeakPolarHBondContact O-CD1 3.43Å; N501-L505 PolarHBondContact O-N 2.82Å |
| 502 | S | 45.2 | Very low | 44.9 | Very low | 64 Ų | 64 | 113.4 Ų | 113.4 | 45% | 0.448 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -71.4 | -30.8 | 176.2 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | V498 L499 S506 | V498-S502 WeakPolarHBondContact O-CA 3.34Å; V498-S502 WeakPolarHBondContact O-CB 3.36Å; V498-S502 PolarHBondContact O-N 2.99Å; V498-S502 PolarHBondContact O-OG 3.23Å; L499-S502 WeakPolarHBondContact CA-OG 3.44Å; L499-S502 PolarHBondContact O-OG 3.3Å; S502-S506 PolarHBondContact O-N 2.94Å; S502-S506 VanDerWaalsContact O-N 3.14Å |
| 503 | M | 40.4 | Very low | 43.1 | Very low | 125 Ų | 125 | 114.1 Ų | 114.1 | 62% | 0.616 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73.4 | -26.6 | 169.1 | -73.8 | -173.8 | -98.5 | 0 | 0 | 113.4 | L499 S506 | L499-M503 HydrophobicContact CB-CE 3.96Å; L499-M503 VanDerWaalsContact O-CB 3.26Å; L499-M503 WeakPolarHBondContact O-CB 3.45Å; L499-M503 WeakPolarHBondContact O-CE 3.37Å; L499-M503 VanDerWaalsContact O-CG 3.31Å; L499-M503 WeakPolarHBondContact O-CG 2.76Å; L499-M503 PolarHBondContact O-N 3.45Å; M503-S506 PolarHBondContact O-OG 2.62Å |
| 504 | N | 39.4 | Very low | 41.5 | Very low | 94 Ų | 94 | 118.5 Ų | 118.5 | 50% | 0.503 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -88.2 | -27.8 | 173.2 | -78.8 | -76.4 | 0 | 0 | 0 | 113.9 | Y500 N501 | Y500-N504 WeakPolarHBondContact CD1-ND2 3.07Å; Y500-N504 WeakPolarHBondContact O-CB 3.24Å; Y500-N504 PolarHBondContact O-N 3.32Å; Y500-N504 PolarHBondContact O-ND2 2.97Å; N501-N504 CarbonylContact O-C 3.42Å; N501-N504 PolarHBondContact O-N 3.4Å |
| 505 | L | 35.8 | Very low | 39.9 | Very low | 132 Ų | 132 | 117.2 Ų | 117.2 | 69% | 0.691 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -84 | -8.1 | 174.4 | -87.9 | 62.8 | 0 | 0 | 0 | 112.7 | N501 Y507 | N501-L505 HydrophobicContact CB-CD1 4.4Å; N501-L505 VanDerWaalsContact O-CB 3.23Å; N501-L505 WeakPolarHBondContact O-CB 3.43Å; N501-L505 VanDerWaalsContact O-CD1 3.27Å; N501-L505 WeakPolarHBondContact O-CD1 3.43Å; N501-L505 PolarHBondContact O-N 2.82Å; L505-Y507 PolarHBondContact O-N 3.42Å |
| 506 | S | 30.3 | Very low | 38.2 | Very low | 83 Ų | 83 | 120.3 Ų | 120.3 | 58% | 0.58 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -2.3 | 166.7 | 69.2 | 0 | 0 | 0 | 0 | 113.1 | S502 M503 | S502-S506 PolarHBondContact O-N 2.94Å; S502-S506 VanDerWaalsContact O-N 3.14Å; M503-S506 PolarHBondContact O-OG 2.62Å |
| 507 | Y | 27.9 | Very low | 36.8 | Very low | 178 Ų | 178 | 122.9 Ų | 122.9 | 70% | 0.698 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -127.4 | 123.5 | 173.9 | -89.4 | -90.2 | 0 | 0 | 0 | 112.1 | L505 | L505-Y507 PolarHBondContact O-N 3.42Š|
| 508 | F | 29 | Very low | 35.4 | Very low | 175 Ų | 175 | 123.6 Ų | 123.6 | 77% | 0.768 | 65% | 0.65 | S | S | * | * | | | trans | 77.2 | 136.2 | 175.2 | -71.4 | -90.4 | 0 | 0 | 0 | 119.4 | | |
| 509 | N | 29.5 | Very low | 34.1 | Very low | 135 Ų | 135 | 125 Ų | 125 | 72% | 0.722 | 66% | 0.659 | S | S | * | * | | | trans | 80.3 | 125.4 | 169.8 | -45.9 | -38 | 0 | 0 | 0 | 117.2 | | |
| 510 | H | 31.3 | Very low | 33.4 | Very low | 159 Ų | 159 | 127.5 Ų | 127.5 | 74% | 0.736 | 67% | 0.673 | S | S | * | * | | | cis | -157.6 | 164.6 | -22.5 | -129.3 | -61.3 | 0 | 0 | 0 | 111.7 | | |
| 511 | S | 27.6 | Very low | 33 | Very low | 86 Ų | 86 | 126.5 Ų | 126.5 | 60% | 0.601 | 68% | 0.678 | S | S | * | * | | | trans | -36.7 | 149.2 | 167.4 | -29.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 512 | D | 28.2 | Very low | 32.2 | Very low | 151 Ų | 151 | 126.5 Ų | 126.5 | 81% | 0.807 | 68% | 0.684 | S | S | * | * | | | | -168.4 | 176.7 | 67.8 | -107 | -28.9 | 0 | 0 | 0 | 115.2 | | |
| 513 | S | 29.7 | Very low | 31.9 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | | | trans | 78.1 | 71.9 | 162.9 | -56.7 | 0 | 0 | 0 | 0 | 120.1 | | |
| 514 | F | 30.8 | Very low | 31.4 | Very low | 198 Ų | 198 | 132.2 Ų | 132.2 | 87% | 0.868 | 70% | 0.703 | S | S | * | * | | | trans | -23.9 | 157.9 | 136.7 | -85 | -83 | 0 | 0 | 0 | 116.3 | | |
| 515 | P | 34 | Very low | 30.8 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | | | | -154.4 | 168.1 | 51 | 44.4 | -24 | 0 | 0 | 0 | 121.6 | | |
| 516 | N | 28 | Very low | 30.3 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | | | trans | 74.4 | 141.1 | 148 | -69.8 | -13.1 | 0 | 0 | 0 | 120.7 | | |
| 517 | L | 28 | Very low | 30 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 73% | 0.728 | 73% | 0.725 | S | S | * | * | | | cis | -164.9 | 175.8 | -22.7 | -156.2 | 56.7 | 0 | 0 | 0 | 110.3 | | |
| 518 | T | 27.5 | Very low | 29.8 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | | | trans | 69.2 | 104.2 | 157.4 | 57.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 519 | T | 32.4 | Very low | 29.7 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 74% | 0.742 | 73% | 0.73 | S | S | * | * | | | | 73.6 | 140.3 | 129.8 | 54.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 520 | D | 33.9 | Very low | 29.6 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | | | cis | -136.5 | 136.5 | 2.4 | -138 | -15 | 0 | 0 | 0 | 115.9 | | |
| 521 | L | 36 | Very low | 29.4 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | | | trans | -94.4 | 109.7 | 176.6 | -125.1 | 74 | 0 | 0 | 0 | 108.1 | I524 | L521-I524 HydrophobicContact CD2-CD1 3.82Š|
| 522 | S | 31.5 | Very low | 29.4 | Very low | 79 Ų | 79 | 137.9 Ų | 137.9 | 55% | 0.552 | 74% | 0.743 | S | S | * | * | | | trans | -124 | 75.7 | 178.7 | 176.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 523 | K | 37.8 | Very low | 29.3 | Very low | 177 Ų | 177 | 134.3 Ų | 134.3 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | | | trans | 64.8 | 110.7 | 165.8 | -48.4 | 113.8 | -160.6 | 160.8 | 0 | 113.4 | | |
| 524 | I | 30.1 | Very low | 29.2 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 68% | 0.677 | 75% | 0.746 | S | S | * | * | | | cis | 45.7 | 89.6 | 38.8 | -48.3 | 178.6 | 0 | 0 | 0 | 111.7 | L521 | L521-I524 HydrophobicContact CD2-CD1 3.82Š|
| 525 | K | 27.6 | Very low | 28.9 | Very low | 188 Ų | 188 | 133.9 Ų | 133.9 | 82% | 0.817 | 74% | 0.738 | S | S | * | * | | | trans | -170.4 | 130 | 130.4 | -109.2 | -177.9 | 178.5 | -175.7 | 0 | 114.7 | | |
| 526 | T | 25.7 | Very low | 28.5 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | | | trans | 60.8 | 104.9 | 140.6 | 54.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 527 | F | 23.7 | Very low | 28.2 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | | | | 77.1 | 140.5 | 116.3 | -92.7 | -89.1 | 0 | 0 | 0 | 122.6 | | |
| 528 | V | 24.3 | Very low | 28 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | | | trans | 79.2 | 134.4 | 165.5 | -174.1 | 0 | 0 | 0 | 0 | 117.8 | | |
| 529 | K | 26.2 | Very low | 27.8 | Very low | 182 Ų | 182 | 138.8 Ų | 138.8 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | | | trans | -57.4 | 127.1 | -179.8 | 175.9 | -174.5 | -177.7 | -176.1 | 0 | 113.8 | | |
| 530 | P | 26.9 | Very low | 27.4 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | -86.1 | 148 | 156.5 | 34.4 | -30.8 | 0 | 0 | 0 | 110.9 | | |
| 531 | S | 27.4 | Very low | 27 | Very low | 90 Ų | 90 | 137.7 Ų | 137.7 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | | | trans | -118.6 | 148.9 | 169.4 | 49.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 532 | D | 26.8 | Very low | 26.7 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 88% | 0.877 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 56.5 | 129.7 | 164 | -51.5 | -43.4 | 0 | 0 | 0 | 119.8 | | |
| 533 | G | 28 | Very low | 26.7 | Very low | 77 Ų | 77 | 140.5 Ų | 140.5 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | | | trans | 106.4 | 107.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 534 | L | 25.7 | Very low | 26.2 | Very low | 163 Ų | 163 | 138.4 Ų | 138.4 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | | | trans | -126.5 | 96 | 137.1 | -161.4 | 84.5 | 0 | 0 | 0 | 109.2 | | |
| 535 | L | 24.7 | Very low | 26 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | | | trans | -70.7 | 132.7 | 159.9 | -83.3 | 163.7 | 0 | 0 | 0 | 108.6 | Y537 | L535-Y537 HydrophobicContact CD2-CE2 4.32Š|
| 536 | H | 25.8 | Very low | 25.9 | Very low | 172 Ų | 172 | 135.7 Ų | 135.7 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | | | trans | -145.6 | 91.3 | 151.8 | -117.7 | -68.7 | 0 | 0 | 0 | 112.3 | | |
| 537 | Y | 23.2 | Very low | 25.8 | Very low | 183 Ų | 183 | 137.1 Ų | 137.1 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | | | trans | -28.5 | 137.2 | 138.9 | -72.2 | -87.4 | 0 | 0 | 0 | 111.8 | L535 | L535-Y537 HydrophobicContact CD2-CE2 4.32Š|
| 538 | S | 22.2 | Very low | 25.8 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | | | cis | -151.6 | 174.9 | 10.1 | -73.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 539 | T | 23.5 | Very low | 26 | Very low | 131 Ų | 131 | 136 Ų | 136 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | cis | -163 | 147.7 | 45.7 | 46.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 540 | S | 24 | Very low | 25.9 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | trans | 69.1 | 80.8 | 155.6 | -160.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 541 | N | 25.9 | Very low | 25.8 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | | | | 83.4 | 78.4 | 95.5 | -91 | 68.4 | 0 | 0 | 0 | 116.4 | | |
| 542 | D | 30 | Very low | 25.7 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | | | | 59.4 | 92.6 | 121.3 | -53.3 | -1.9 | 0 | 0 | 0 | 119.3 | | |
| 543 | N | 30.6 | Very low | 25.7 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | | | trans | -118.1 | 126.3 | 153.1 | -78.7 | -69.6 | 0 | 0 | 0 | 108.2 | | |
| 544 | N | 27.2 | Very low | 25.6 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | | | | 56.1 | 101.9 | 78 | -69.7 | -48 | 0 | 0 | 0 | 113.3 | | |
| 545 | L | 27 | Very low | 25.6 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | | | | -169 | 117.7 | 113.3 | -120.5 | 74.8 | 0 | 0 | 0 | 113.3 | | |
| 546 | T | 25.5 | Very low | 25.6 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 64% | 0.644 | 76% | 0.757 | S | S | * | * | | | trans | 25.4 | 134.3 | 133.4 | 64.3 | 0 | 0 | 0 | 0 | 123.1 | | |
| 547 | N | 24.2 | Very low | 25.7 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | trans | 71.3 | 126.6 | 131.6 | -66.4 | -19.1 | 0 | 0 | 0 | 123.2 | | |
| 548 | F | 23 | Very low | 26 | Very low | 185 Ų | 185 | 137.2 Ų | 137.2 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | | | trans | 59.1 | 84.5 | 137.4 | -82.6 | -95.5 | 0 | 0 | 0 | 121.7 | I550 | F548-I550 HydrophobicContact CD1-CD1 4.45Š|
| 549 | A | 28.2 | Very low | 26.1 | Very low | 94 Ų | 94 | 140 Ų | 140 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | | | trans | -161.5 | 139.4 | 137 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 550 | I | 24.5 | Very low | 26.2 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | | | cis | 70.1 | 61.7 | 17.4 | -38.8 | -177.3 | 0 | 0 | 0 | 115.1 | F548 | F548-I550 HydrophobicContact CD1-CD1 4.45Š|
| 551 | R | 23.9 | Very low | 26.3 | Very low | 183 Ų | 183 | 139.3 Ų | 139.3 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | | | | -178.8 | 156.8 | 115.5 | -102.4 | 171 | 175 | -147.1 | -5.7 | 114.4 | | |
| 552 | S | 25.2 | Very low | 26.3 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | | | trans | 47.4 | 105.1 | 153.9 | 55.3 | 0 | 0 | 0 | 0 | 119.3 | | |
| 553 | N | 27.4 | Very low | 26.1 | Very low | 177 Ų | 177 | 135.2 Ų | 135.2 | 95% | 0.947 | 73% | 0.73 | S | S | * | * | | | | -140.5 | 144.3 | 127.9 | -106.4 | -29.9 | 0 | 0 | 0 | 109.5 | | |
| 554 | S | 26.1 | Very low | 25.9 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | | | trans | -108.1 | 136.6 | -179.7 | 51.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 555 | N | 26.1 | Very low | 25.9 | Very low | 153 Ų | 153 | 128.9 Ų | 128.9 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | | | trans | 57.4 | 92.7 | 168.3 | -55.4 | -14.1 | 0 | 0 | 0 | 116.5 | | |
| 556 | L | 25 | Very low | 25.9 | Very low | 156 Ų | 156 | 124.3 Ų | 124.3 | 82% | 0.817 | 69% | 0.691 | S | S | * | * | | | trans | -161.8 | 172.1 | 137.3 | -134.1 | 71.9 | 0 | 0 | 0 | 112.4 | | |
| 557 | F | 28.1 | Very low | 26.2 | Very low | 186 Ų | 186 | 124.9 Ų | 124.9 | 82% | 0.816 | 70% | 0.696 | S | S | * | * | | | trans | 84.7 | 59.2 | 177.1 | -64.4 | -71.2 | 0 | 0 | 0 | 118.9 | | |
| 558 | T | 28.9 | Very low | 26.2 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | | | trans | -74.5 | 128.7 | 132.8 | -46.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 559 | M | 24 | Very low | 26.3 | Very low | 157 Ų | 157 | 122.8 Ų | 122.8 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | | | trans | -170.4 | 106.5 | 147.7 | -93.8 | -58.5 | 159.2 | 0 | 0 | 105.4 | | |
| 560 | N | 26.2 | Very low | 26.1 | Very low | 126 Ų | 126 | 124.1 Ų | 124.1 | 67% | 0.674 | 69% | 0.685 | S | S | * | * | | | | 57.3 | 119.4 | 91.2 | -72.4 | -19.2 | 0 | 0 | 0 | 114.4 | | |
| 561 | S | 25.9 | Very low | 26.2 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 67% | 0.671 | 68% | 0.682 | S | S | * | * | | | | -171.6 | 125.5 | 112.4 | -85.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 562 | I | 24.9 | Very low | 26.3 | Very low | 106 Ų | 106 | 118.4 Ų | 118.4 | 54% | 0.544 | 68% | 0.677 | S | S | . | * | | | | 50.4 | 136.6 | 116.3 | -58.7 | 167.3 | 0 | 0 | 0 | 117.1 | N772 | I562-N772 PolarHBondContact O-ND2 2.91Š|
| 563 | N | 26 | Very low | 26.4 | Very low | 81 Ų | 81 | 119.1 Ų | 119.1 | 43% | 0.433 | 67% | 0.673 | S | S | . | * | | | cis | 176.2 | 159.4 | -15.6 | -93.3 | -18.8 | 0 | 0 | 0 | 105.8 | N772 | N563-N772 PolarHBondContact N-ND2 3.4Å; N563-N772 VanDerWaalsContact N-ND2 3.13Å; N563-N772 CarbonylContact O-C 3.58Å; N563-N772 WeakPolarHBondContact O-CB 3.34Å; N563-N772 PolarHBondContact O-N 3.23Å; N563-N772 PolarHBondContact O-ND2 3.08Å |
| 564 | N | 26.8 | Very low | 26.4 | Very low | 49 Ų | 49 | 114.3 Ų | 114.3 | 26% | 0.262 | 65% | 0.653 | S | S | . | * | | | | 156.5 | 133.9 | 119.8 | -77.7 | -44.5 | 0 | 0 | 0 | 114.7 | F771 N772 T773 | N564-F771 HydrophobicContact CB-CD1 3.73Å; N564-F771 HydrophobicContact CB-CD2 3.95Å; N564-F771 HydrophobicContact CB-CE1 3.68Å; N564-F771 HydrophobicContact CB-CE2 3.91Å; N564-F771 HydrophobicContact CB-CG 3.89Å; N564-F771 HydrophobicContact CB-CZ 3.78Å; N564-F771 VanDerWaalsContact CG-CE2 3.44Å; N564-F771 WeakPolarHBondContact ND2-CD2 3.31Å; N564-F771 WeakPolarHBondContact ND2-CE2 3.34Å; N564-N772 WeakPolarHBondContact CB-O 3.21Å; N564-N772 PolarHBondContact N-O 2.68Å; N564-N772 VanDerWaalsContact O-O 3.1Å; N564-T773 WeakPolarHBondContact O-CA 3.46Å; N564-T773 WeakPolarHBondContact O-CB 3.45Å; N564-T773 WeakPolarHBondContact O-CG2 3.46Å; N564-T773 PolarHBondContact O-OG1 3.13Å |
| 565 | V | 26.5 | Very low | 26.4 | Very low | 92 Ų | 92 | 113.1 Ų | 113.1 | 56% | 0.558 | 64% | 0.644 | S | S | * | * | | | | 37 | 121.6 | 126 | -172.5 | 0 | 0 | 0 | 0 | 116.5 | F771 | V565-F771 HydrophobicContact CB-CE1 3.87Å; V565-F771 HydrophobicContact CB-CZ 4.33Å; V565-F771 HydrophobicContact CG1-CE1 4.24Å; V565-F771 HydrophobicContact CG2-CE1 4.45Å; V565-F771 HydrophobicContact CG2-CZ 4.43Å |
| 566 | G | 27 | Very low | 26.6 | Very low | 63 Ų | 63 | 108 Ų | 108 | 65% | 0.649 | 62% | 0.619 | S | S | * | * | | | cis | 85.1 | 172.2 | 27.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 567 | P | 33.4 | Very low | 26.9 | Very low | 116 Ų | 116 | 105.5 Ų | 105.5 | 75% | 0.753 | 61% | 0.606 | S | S | * | * | | | cis | -111.6 | -122.8 | -26.8 | 37.4 | -19.9 | 0 | 0 | 0 | 109.3 | | |
| 568 | I | 24.1 | Very low | 27.1 | Very low | 139 Ų | 139 | 99.9 Ų | 99.9 | 71% | 0.713 | 59% | 0.587 | S | S | * | * | | | trans | 74.9 | 103.4 | 172.7 | -60 | 172 | 0 | 0 | 0 | 112.5 | | |
| 569 | L | 24.4 | Very low | 27 | Very low | 142 Ų | 142 | 98.6 Ų | 98.6 | 74% | 0.743 | 58% | 0.576 | S | S | * | * | | | | 64 | 136.9 | 90.6 | -86.5 | 75.9 | 0 | 0 | 0 | 112.3 | | |
| 570 | D | 24.8 | Very low | 27.3 | Very low | 121 Ų | 121 | 98.8 Ų | 98.8 | 65% | 0.647 | 58% | 0.575 | S | S | * | * | | | cis | -162.8 | 169 | 19.2 | -142.6 | -18.7 | 0 | 0 | 0 | 112.7 | | |
| 571 | T | 26.3 | Very low | 27.3 | Very low | 104 Ų | 104 | 98.1 Ų | 98.1 | 64% | 0.638 | 57% | 0.57 | S | S | * | * | | | trans | 54.9 | 138.9 | 152.2 | 57.5 | 0 | 0 | 0 | 0 | 120.6 | | |
| 572 | T | 26.1 | Very low | 27.2 | Very low | 98 Ų | 98 | 103.4 Ų | 103.4 | 60% | 0.601 | 58% | 0.576 | S | S | * | * | | | cis | -171.1 | 152.7 | 12.4 | 9.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 573 | N | 25.7 | Very low | 27.2 | Very low | 124 Ų | 124 | 105 Ų | 105 | 66% | 0.663 | 58% | 0.582 | S | S | * | * | | | trans | 64.3 | 123.1 | 136 | -63.7 | -13.3 | 0 | 0 | 0 | 124.7 | | |
| 574 | S | 27.3 | Very low | 27.1 | Very low | 76 Ų | 76 | 108 Ų | 108 | 53% | 0.531 | 60% | 0.597 | S | S | . | * | | | trans | 66 | 148.9 | 138.3 | 65.8 | 0 | 0 | 0 | 0 | 117.9 | | |
| 575 | S | 26.4 | Very low | 27 | Very low | 73 Ų | 73 | 109.8 Ų | 109.8 | 51% | 0.51 | 61% | 0.613 | S | S | . | * | | | cis | -133.6 | -168.6 | 23.1 | -75.7 | 0 | 0 | 0 | 0 | 110.6 | S1368 L1369 | S575-S1368 WeakPolarHBondContact O-CA 3.41Å; S575-S1368 WeakPolarHBondContact O-CB 3.45Å; S575-S1368 PolarHBondContact O-N 3.32Å; S575-L1369 VanDerWaalsContact O-CD1 3.22Å; S575-L1369 WeakPolarHBondContact O-CD1 3.43Å |
| 576 | V | 30.8 | Very low | 26.9 | Very low | 46 Ų | 46 | 111.9 Ų | 111.9 | 28% | 0.279 | 62% | 0.621 | S | S | . | * | | | cis | 157.1 | 50.4 | 13.3 | -20 | 0 | 0 | 0 | 0 | 111.5 | N1365 H1366 | V576-N1365 WeakPolarHBondContact O-CA 3.39Å; V576-N1365 VanDerWaalsContact O-CB 3.26Å; V576-N1365 WeakPolarHBondContact O-CB 3.23Å; V576-H1366 HydrophobicContact CB-CB 4.49Å; V576-H1366 HydrophobicContact CG1-CB 4.23Å |
| 577 | D | 30.5 | Very low | 26.7 | Very low | 103 Ų | 103 | 116.8 Ų | 116.8 | 55% | 0.551 | 63% | 0.627 | S | S | * | * | | | trans | -121.6 | -119.6 | -148.2 | -177.1 | 76.7 | 0 | 0 | 0 | 117 | N1365 H1366 Q1367 | D577-N1365 CarbonylContact O-C 3.6Å; D577-N1365 WeakPolarHBondContact O-CA 3.07Å; D577-N1365 PolarHBondContact O-N 2.82Å; D577-N1365 VanDerWaalsContact O-N 3.12Å; D577-H1366 VanDerWaalsContact C-N 3.35Å; D577-H1366 PolarHBondContact O-N 2.88Å; D577-Q1367 HydrophobicContact CB-CB 3.96Å; D577-Q1367 HydrophobicContact CB-CG 3.76Å |
| 578 | T | 32.2 | Very low | 26.3 | Very low | 68 Ų | 68 | 120.4 Ų | 120.4 | 42% | 0.417 | 63% | 0.631 | S | S | . | * | | | trans | 59.1 | 163.4 | 178.9 | 41.4 | 0 | 0 | 0 | 0 | 117.3 | H1366 Q1367 | T578-H1366 WeakPolarHBondContact CB-O 3.34Å; T578-H1366 WeakPolarHBondContact CG2-O 3.04Å; T578-H1366 VanDerWaalsContact OG1-CA 3.25Å; T578-H1366 WeakPolarHBondContact OG1-CA 3.33Å; T578-H1366 PolarHBondContact OG1-N 3.38Å; T578-H1366 PolarHBondContact OG1-O 3.39Å; T578-Q1367 HydrophobicContact CG2-CB 4.2Å |
| 579 | D | 27.5 | Very low | 26.3 | Very low | 90 Ų | 90 | 117.7 Ų | 117.7 | 48% | 0.481 | 63% | 0.625 | S | S | . | * | | | cis | -159 | 164.4 | 40.5 | -155.6 | 14.6 | 0 | 0 | 0 | 118.9 | I581 | D579-I581 WeakPolarHBondContact OD1-CD1 3.18Š|
| 580 | Q | 30.7 | Very low | 26.3 | Very low | 162 Ų | 162 | 117 Ų | 117 | 76% | 0.757 | 62% | 0.622 | S | S | * | * | | | trans | 79.4 | 136.7 | 159.5 | -80.6 | 156.1 | 73.8 | 0 | 0 | 120.2 | | |
| 581 | I | 26.1 | Very low | 26.3 | Very low | 111 Ų | 111 | 117.9 Ų | 117.9 | 57% | 0.569 | 63% | 0.627 | S | S | * | * | | | cis | 164.2 | 159.1 | -32.7 | -99.9 | 165.5 | 0 | 0 | 0 | 106.1 | D579 | D579-I581 WeakPolarHBondContact OD1-CD1 3.18Š|
| 582 | R | 24.8 | Very low | 26.2 | Very low | 208 Ų | 208 | 120 Ų | 120 | 79% | 0.785 | 63% | 0.629 | S | S | * | * | | | trans | 73 | 145.3 | 174.9 | -74 | 150.2 | -143.9 | -77.2 | -2.3 | 114.6 | | |
| 583 | M | 23.3 | Very low | 26.1 | Very low | 140 Ų | 140 | 121.2 Ų | 121.2 | 69% | 0.69 | 63% | 0.632 | S | S | * | * | | | cis | 167.4 | 171.3 | -24.1 | -112.4 | 169.4 | 71.9 | 0 | 0 | 104.6 | | |
| 584 | I | 25.4 | Very low | 25.9 | Very low | 143 Ų | 143 | 119.8 Ų | 119.8 | 73% | 0.733 | 63% | 0.628 | S | S | * | * | | | trans | 72.2 | 102.5 | 169.7 | -58 | 128.7 | 0 | 0 | 0 | 110.8 | | |
| 585 | S | 23.5 | Very low | 25.7 | Very low | 87 Ų | 87 | 125.1 Ų | 125.1 | 61% | 0.608 | 64% | 0.642 | S | S | * | * | | | | 86.4 | 126.5 | 58.9 | -91.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 586 | D | 24.1 | Very low | 25.6 | Very low | 136 Ų | 136 | 125.3 Ų | 125.3 | 73% | 0.727 | 64% | 0.643 | S | S | * | * | | | trans | 68.3 | 160.9 | 130 | -52.9 | -36.6 | 0 | 0 | 0 | 120.6 | | |
| 587 | E | 24.2 | Very low | 25.3 | Very low | 166 Ų | 166 | 134.5 Ų | 134.5 | 78% | 0.776 | 67% | 0.673 | S | S | * | * | | | trans | 69 | 100.4 | 149.4 | -79.4 | 173 | -165.8 | 0 | 0 | 121 | | |
| 588 | F | 24.2 | Very low | 25 | Very low | 191 Ų | 191 | 133 Ų | 133 | 84% | 0.838 | 68% | 0.681 | S | S | * | * | | | | 62.6 | 149.6 | 106.9 | -92.1 | -98.2 | 0 | 0 | 0 | 120.6 | | |
| 589 | S | 23.9 | Very low | 24.8 | Very low | 82 Ų | 82 | 135.4 Ų | 135.4 | 57% | 0.573 | 70% | 0.701 | S | S | * | * | | | trans | 71.7 | 126.7 | 142.5 | -72 | 0 | 0 | 0 | 0 | 120.7 | | |
| 590 | N | 24.6 | Very low | 24.7 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | | | | 41.3 | 110.9 | 118.9 | -39.5 | -32 | 0 | 0 | 0 | 116.1 | | |
| 591 | N | 25 | Very low | 24.6 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | | | | -167.2 | 150.7 | 59.3 | -80.5 | -76.1 | 0 | 0 | 0 | 108.7 | | |
| 592 | H | 24.5 | Very low | 24.8 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | | | | 51.1 | 135 | 69.3 | -114.1 | -57.8 | 0 | 0 | 0 | 113.4 | | |
| 593 | N | 23.3 | Very low | 25 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 66% | 0.658 | 72% | 0.722 | S | S | * | * | | | trans | 59.8 | 131.7 | 149.8 | -57.8 | -16.9 | 0 | 0 | 0 | 117.5 | | |
| 594 | T | 22.7 | Very low | 25.2 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 58% | 0.583 | 72% | 0.722 | S | S | * | * | | | cis | 169.3 | 178.6 | 9.6 | 23.6 | 0 | 0 | 0 | 0 | 104 | | |
| 595 | F | 23.1 | Very low | 25.4 | Very low | 187 Ų | 187 | 131.8 Ų | 131.8 | 82% | 0.82 | 72% | 0.724 | S | S | * | * | | | trans | 70.2 | 154.7 | 161.4 | -58.7 | -61.1 | 0 | 0 | 0 | 115 | | |
| 596 | S | 23.7 | Very low | 25.6 | Very low | 78 Ų | 78 | 133.5 Ų | 133.5 | 55% | 0.545 | 73% | 0.73 | S | S | . | * | | | cis | -149.6 | 166.1 | -2.3 | -131.4 | 0 | 0 | 0 | 0 | 112 | | |
| 597 | R | 23.7 | Very low | 26 | Very low | 239 Ų | 239 | 130.4 Ų | 130.4 | 90% | 0.902 | 73% | 0.731 | S | S | * | * | | | trans | 25.6 | 118.9 | 141.9 | -60.8 | 159.6 | 170 | 167.5 | -6 | 116.8 | | |
| 598 | G | 25.6 | Very low | 26.1 | Very low | 70 Ų | 70 | 129.9 Ų | 129.9 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | | | cis | 140.5 | -137.8 | 10.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 599 | S | 27.2 | Very low | 26.4 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 84% | 0.839 | 72% | 0.723 | S | S | * | * | | | trans | 70.7 | 106.8 | 179.1 | -63 | 0 | 0 | 0 | 0 | 116.7 | | |
| 600 | S | 25.6 | Very low | 26.6 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | | | | 55.5 | 142.9 | 126.3 | -54.4 | 0 | 0 | 0 | 0 | 120 | | |
| 601 | V | 29.2 | Very low | 27.3 | Very low | 126 Ų | 126 | 129 Ų | 129 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | | | cis | -144.7 | 112.8 | 42.1 | 172 | 0 | 0 | 0 | 0 | 112.8 | | |
| 602 | K | 29.3 | Very low | 27.4 | Very low | 177 Ų | 177 | 129 Ų | 129 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | | | trans | 54.3 | 154.1 | 135.3 | -63 | -176.3 | 176.5 | 178.5 | 0 | 123.6 | | |
| 603 | T | 29 | Very low | 27.5 | Very low | 119 Ų | 119 | 126 Ų | 126 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | | | trans | 68.5 | 110.5 | 147.7 | 40.3 | 0 | 0 | 0 | 0 | 117.5 | | |
| 604 | S | 28.3 | Very low | 27.7 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 67% | 0.671 | 74% | 0.742 | S | S | * | * | | | cis | 102 | 152.8 | 45.9 | 68.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 605 | L | 27.8 | Very low | 27.9 | Very low | 149 Ų | 149 | 127.5 Ų | 127.5 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | | | cis | -152 | 157.5 | 9.1 | -155.3 | 67.2 | 0 | 0 | 0 | 110.9 | | |
| 606 | T | 28.7 | Very low | 28.2 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | trans | 22 | 130.9 | 153.5 | 52 | 0 | 0 | 0 | 0 | 122 | | |
| 607 | G | 31.7 | Very low | 28.7 | Very low | 71 Ų | 71 | 126.2 Ų | 126.2 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | | | | 140.2 | 143.6 | 120.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 608 | L | 28.2 | Very low | 28.8 | Very low | 156 Ų | 156 | 119.5 Ų | 119.5 | 82% | 0.817 | 74% | 0.737 | S | S | * | * | | | cis | -165.4 | 163.3 | -17.5 | -129.6 | 172.3 | 0 | 0 | 0 | 108.1 | | |
| 609 | S | 30.5 | Very low | 28.9 | Very low | 90 Ų | 90 | 122 Ų | 122 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | | | trans | 33.7 | 137 | 154.2 | 55.8 | 0 | 0 | 0 | 0 | 121.4 | | |
| 610 | Q | 27.8 | Very low | 28.8 | Very low | 180 Ų | 180 | 123.5 Ų | 123.5 | 84% | 0.841 | 73% | 0.731 | S | S | * | * | | | cis | 179.8 | 162.3 | -13.4 | -125 | 178.4 | -24.8 | 0 | 0 | 106.1 | | |
| 611 | P | 38.1 | Very low | 28.9 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | | | trans | -98.9 | 151.9 | 172.4 | 37.3 | -30.8 | 0 | 0 | 0 | 112.7 | | |
| 612 | T | 28.4 | Very low | 28.8 | Very low | 138 Ų | 138 | 124.6 Ų | 124.6 | 85% | 0.847 | 73% | 0.73 | S | S | * | * | | | trans | -167.9 | 156.4 | 162 | 27 | 0 | 0 | 0 | 0 | 110 | | |
| 613 | S | 26.5 | Very low | 28.6 | Very low | 88 Ų | 88 | 119.1 Ų | 119.1 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | | | cis | 178.7 | -163.3 | -30 | 49.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 614 | L | 27 | Very low | 28.6 | Very low | 140 Ų | 140 | 119.8 Ų | 119.8 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | | | trans | 82.2 | 91.5 | 151.7 | -71.4 | 160.9 | 0 | 0 | 0 | 119.7 | | |
| 615 | T | 26.9 | Very low | 28.5 | Very low | 108 Ų | 108 | 117.2 Ų | 117.2 | 66% | 0.663 | 70% | 0.7 | S | S | * | * | | | | 65.2 | 125.5 | 115.3 | 53.5 | 0 | 0 | 0 | 0 | 122.2 | | |
| 616 | D | 28 | Very low | 28.6 | Very low | 145 Ų | 145 | 118.7 Ų | 118.7 | 78% | 0.775 | 70% | 0.701 | S | S | * | * | | | | 52.1 | 166.8 | 93.2 | -113.3 | -4.4 | 0 | 0 | 0 | 118.8 | | |
| 617 | P | 35.6 | Very low | 28.5 | Very low | 94 Ų | 94 | 117 Ų | 117 | 61% | 0.61 | 69% | 0.687 | S | S | * | * | | | cis | -140.4 | 173.1 | -10 | 37.6 | -18.9 | 0 | 0 | 0 | 116.3 | | |
| 618 | S | 25.4 | Very low | 28.3 | Very low | 98 Ų | 98 | 118.5 Ų | 118.5 | 69% | 0.685 | 68% | 0.678 | S | S | * | * | | | trans | 69.5 | 174.8 | 136.3 | 72.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 619 | V | 27.9 | Very low | 28.2 | Very low | 123 Ų | 123 | 114.1 Ų | 114.1 | 75% | 0.745 | 65% | 0.653 | S | S | * | * | | | trans | 78.6 | 126.4 | 163 | 171.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 620 | Q | 25.5 | Very low | 28.1 | Very low | 150 Ų | 150 | 112.2 Ų | 112.2 | 70% | 0.701 | 64% | 0.638 | S | S | * | * | | | cis | -171.5 | 163.4 | -26.4 | -130.1 | 174.8 | 19.2 | 0 | 0 | 111.9 | | |
| 621 | M | 26.2 | Very low | 28 | Very low | 152 Ų | 152 | 105.7 Ų | 105.7 | 75% | 0.749 | 61% | 0.613 | S | S | * | * | | | trans | 65.2 | 152.5 | 151.6 | -65.8 | -158.5 | -161.4 | 0 | 0 | 122.5 | | |
| 622 | S | 27.8 | Very low | 27.5 | Very low | 108 Ų | 108 | 105.4 Ų | 105.4 | 76% | 0.755 | 61% | 0.605 | S | S | * | * | | | trans | 44 | 115.9 | 148.7 | 57.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 623 | G | 25.3 | Very low | 27.4 | Very low | 62 Ų | 62 | 103.5 Ų | 103.5 | 64% | 0.639 | 60% | 0.597 | S | S | * | * | | | cis | 89.5 | 76.2 | -0 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 624 | I | 28 | Very low | 27.6 | Very low | 134 Ų | 134 | 106.3 Ų | 106.3 | 69% | 0.687 | 60% | 0.6 | S | S | * | * | | | trans | -119.2 | 169.8 | 169.1 | -82.6 | 174.7 | 0 | 0 | 0 | 111.8 | F626 R1268 | I624-F626 HydrophobicContact CG2-CE2 4.42Å; I624-R1268 PolarHBondContact O-NH1 3.05Å; I624-R1268 PolarHBondContact O-NH2 2.83Å; I624-R1268 VanDerWaalsContact O-NH2 3.1Å |
| 625 | N | 26.9 | Very low | 27.6 | Very low | 42 Ų | 42 | 107.7 Ų | 107.7 | 23% | 0.225 | 61% | 0.607 | C | S | . | * | | | trans | -159.4 | 120.6 | -151.1 | -174.3 | 41.6 | 0 | 0 | 0 | 113.4 | K1266 R1267 | N625-K1266 PolarHBondContact ND2-NZ 3.32Å; N625-K1266 WeakPolarHBondContact OD1-CE 3.27Å; N625-K1266 PolarHBondContact OD1-NZ 2.84Å; N625-K1266 VanDerWaalsContact OD1-NZ 3.1Å; N625-R1267 VanDerWaalsContact CG-CZ 3.47Å; N625-R1267 PolarHBondContact ND2-NE 2.8Å; N625-R1267 PolarHBondContact OD1-NE 3.13Å |
| 626 | F | 31.2 | Very low | 27.7 | Very low | 180 Ų | 180 | 108.2 Ų | 108.2 | 79% | 0.789 | 61% | 0.606 | S | S | * | * | | | trans | -136.8 | 133.2 | 158.1 | -71 | -76.3 | 0 | 0 | 0 | 107.7 | I624 | I624-F626 HydrophobicContact CG2-CE2 4.42Š|
| 627 | N | 24.9 | Very low | 27.7 | Very low | 85 Ų | 85 | 109.7 Ų | 109.7 | 46% | 0.455 | 61% | 0.606 | S | S | . | * | | | | 63.1 | 129.7 | 60.3 | -90.4 | 35.8 | 0 | 0 | 0 | 108.7 | K1266 | N627-K1266 VanDerWaalsContact N-NZ 3.13Å; N627-K1266 WeakPolarHBondContact OD1-CE 3.39Å; N627-K1266 PolarHBondContact OD1-NZ 3.34Å |
| 628 | D | 28.5 | Very low | 27.3 | Very low | 104 Ų | 104 | 109.8 Ų | 109.8 | 56% | 0.556 | 61% | 0.605 | S | S | * | * | | | cis | -169.6 | 164.3 | 15.8 | -101.5 | -12.9 | 0 | 0 | 0 | 109.5 | | |
| 629 | E | 26.6 | Very low | 27.3 | Very low | 63 Ų | 63 | 111.8 Ų | 111.8 | 29% | 0.294 | 61% | 0.608 | S | S | . | * | | | cis | -169 | 168.2 | -4.6 | -135 | -174.9 | -161.2 | 0 | 0 | 111.7 | K1263 R1264 T1265 | E629-K1263 HydrophobicContact CG-CG 4.16Å; E629-K1263 WeakPolarHBondContact OE1-CE 3.43Å; E629-K1263 VanDerWaalsContact OE1-CG 3.23Å; E629-K1263 WeakPolarHBondContact OE1-CG 3.46Å; E629-K1263 IonicContact OE1-NZ 3.16Å; E629-K1263 WeakPolarHBondContact OE2-CE 3.39Å; E629-K1263 VanDerWaalsContact OE2-CG 3.3Å; E629-K1263 WeakPolarHBondContact OE2-CG 3.37Å; E629-K1263 IonicContact OE2-NZ 3.46Å; E629-K1263 PolarHBondContact OE2-NZ 3.03Å; E629-R1264 IonicContact OE1-NE 3.75Å; E629-R1264 PolarHBondContact OE1-NE 2.77Å; E629-R1264 IonicContact OE1-NH2 2.7Å; E629-T1265 HydrophobicContact CB-CG2 4.38Å; E629-T1265 HydrophobicContact CG-CG2 3.66Å |
| 630 | T | 27.3 | Very low | 27.2 | Very low | 50 Ų | 50 | 115.4 Ų | 115.4 | 31% | 0.307 | 61% | 0.61 | S | S | . | * | | | trans | 87.4 | 140.1 | 143.3 | 69.5 | 0 | 0 | 0 | 0 | 127.3 | I1262 K1263 | T630-I1262 HydrophobicContact CG2-CB 4.11Å; T630-I1262 HydrophobicContact CG2-CG1 3.7Å; T630-I1262 HydrophobicContact CG2-CG2 4.2Å; T630-K1263 HydrophobicContact CG2-CB 4.43Å; T630-K1263 HydrophobicContact CG2-CG 3.79Å |
| 631 | S | 26.6 | Very low | 27.4 | Very low | 44 Ų | 44 | 115.2 Ų | 115.2 | 31% | 0.308 | 61% | 0.607 | S | S | . | * | | | trans | 86 | 129.8 | 154.6 | -31.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 632 | N | 26.8 | Very low | 27.3 | Very low | 106 Ų | 106 | 114.6 Ų | 114.6 | 57% | 0.567 | 61% | 0.606 | S | S | * | * | | | cis | 68.1 | 137.9 | 39.3 | -61.7 | -1.9 | 0 | 0 | 0 | 113.7 | S1261 I1262 | N632-S1261 WeakPolarHBondContact CB-O 3.26Å; N632-S1261 PolarHBondContact ND2-O 3.35Å; N632-I1262 PolarHBondContact ND2-N 3.45Å |
| 633 | S | 27.4 | Very low | 27.2 | Very low | 98 Ų | 98 | 114.9 Ų | 114.9 | 69% | 0.685 | 61% | 0.608 | S | S | * | * | | | cis | -145.6 | 142.2 | 5.1 | 41.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 634 | H | 29.5 | Very low | 27.5 | Very low | 147 Ų | 147 | 117.9 Ų | 117.9 | 68% | 0.681 | 62% | 0.616 | S | S | * | * | | | | 76.1 | 112.2 | 58.2 | -151.4 | -10.9 | 0 | 0 | 0 | 114.1 | | |
| 635 | L | 28.2 | Very low | 27.5 | Very low | 168 Ų | 168 | 118.9 Ų | 118.9 | 88% | 0.88 | 62% | 0.622 | S | S | * | * | | | trans | 168.7 | 101.1 | 148.4 | -93.5 | 165.6 | 0 | 0 | 0 | 107.2 | | |
| 636 | N | 28.3 | Very low | 27.5 | Very low | 119 Ų | 119 | 124.1 Ų | 124.1 | 64% | 0.636 | 65% | 0.65 | S | S | * | * | | | cis | 87 | 141.3 | 29.2 | -153.5 | 38 | 0 | 0 | 0 | 114.2 | | |
| 637 | K | 28.5 | Very low | 27.3 | Very low | 177 Ų | 177 | 125.1 Ų | 125.1 | 77% | 0.77 | 66% | 0.657 | S | S | * | * | | | trans | 84.4 | 142.3 | -176.7 | -62.4 | -149.7 | 163.4 | -166 | 0 | 117.3 | | |
| 638 | T | 25.9 | Very low | 27.4 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 59% | 0.589 | 66% | 0.657 | S | S | * | * | | | cis | -157.8 | 148.9 | -18.7 | 17.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 639 | D | 25.7 | Very low | 27.5 | Very low | 139 Ų | 139 | 127 Ų | 127 | 74% | 0.743 | 66% | 0.661 | S | S | * | * | | | trans | 25.5 | 119 | 137.2 | -31.6 | -28.3 | 0 | 0 | 0 | 119.4 | | |
| 640 | Y | 27 | Very low | 28 | Very low | 200 Ų | 200 | 130 Ų | 130 | 78% | 0.784 | 68% | 0.679 | S | S | * | * | | | | -161.5 | 120.3 | 123.7 | -131.2 | -110 | 0 | 0 | 0 | 114.1 | | |
| 641 | F | 28.3 | Very low | 28.6 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 64% | 0.64 | 68% | 0.683 | S | S | * | * | | | trans | 46.6 | 116.8 | 144.5 | -75.3 | -110.7 | 0 | 0 | 0 | 123.2 | | |
| 642 | D | 24.1 | Very low | 29.4 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | | | | 29.4 | 111.6 | 114 | -54.2 | -27.4 | 0 | 0 | 0 | 120.3 | | |
| 643 | S | 26 | Very low | 30.1 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 70% | 0.702 | S | S | * | * | | | | -173.6 | 152 | 116.2 | -80.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 644 | P | 31.5 | Very low | 31.8 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 81% | 0.805 | 69% | 0.685 | S | S | * | * | | | trans | -97.5 | 138.2 | -176.4 | 36 | -32.2 | 0 | 0 | 0 | 113.5 | | |
| 645 | I | 28 | Very low | 33.5 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 80% | 0.8 | 67% | 0.673 | S | S | * | * | | | trans | -137.9 | 112.3 | 169.3 | -58.6 | -177.4 | 0 | 0 | 0 | 111.4 | | |
| 646 | N | 26.4 | Very low | 34.9 | Very low | 152 Ų | 152 | 126.6 Ų | 126.6 | 81% | 0.813 | 65% | 0.646 | S | S | * | * | | | trans | 36.8 | 118.6 | 156.1 | -60.9 | -2.1 | 0 | 0 | 0 | 121.8 | | |
| 647 | E | 28.2 | Very low | 36.5 | Very low | 201 Ų | 201 | 126.7 Ų | 126.7 | 94% | 0.939 | 65% | 0.646 | S | S | * | * | | | trans | -69.7 | 136.4 | 162.5 | -54.2 | 178 | 123 | 0 | 0 | 111.7 | | |
| 648 | S | 26.3 | Very low | 38.4 | Very low | 67 Ų | 67 | 122.8 Ų | 122.8 | 47% | 0.469 | 63% | 0.63 | S | S | . | * | | | trans | -161.7 | 27.2 | 157.6 | 61.8 | 0 | 0 | 0 | 0 | 115 | R486 | R486-S648 PolarHBondContact NH1-OG 3.41Š|
| 649 | Y | 31.4 | Very low | 40.3 | Very low | 162 Ų | 162 | 121.8 Ų | 121.8 | 64% | 0.635 | 62% | 0.619 | S | S | * | * | | | trans | -132.2 | 121.5 | -174.4 | -89.9 | -84.3 | 0 | 0 | 0 | 115.7 | | |
| 650 | L | 36.7 | Very low | 42.3 | Very low | 126 Ų | 126 | 118.4 Ų | 118.4 | 66% | 0.66 | 61% | 0.606 | S | S | * | * | | | trans | 78.5 | 145 | 157 | -54.4 | -178.2 | 0 | 0 | 0 | 118.4 | T652 | L650-T652 WeakPolarHBondContact CD1-OG1 3.49Å; L650-T652 WeakPolarHBondContact CD2-OG1 3.39Å |
| 651 | P | 39.2 | Very low | 44.6 | Very low | 60 Ų | 60 | 112.7 Ų | 112.7 | 39% | 0.39 | 59% | 0.592 | S | S | . | * | | | | -124.4 | 97.7 | 103.7 | -1 | 22.2 | 0 | 0 | 0 | 114.7 | Y653 M654 | P651-Y653 VanDerWaalsContact C-N 3.25Å; P651-Y653 PolarHBondContact O-N 3.15Å; P651-M654 HydrophobicContact CB-CB 4.3Å; P651-M654 HydrophobicContact CB-CE 4.07Å; P651-M654 HydrophobicContact CB-CG 3.34Å; P651-M654 HydrophobicContact CG-CG 4.1Å |
| 652 | T | 43.2 | Very low | 47 | Very low | 77 Ų | 77 | 110.6 Ų | 110.6 | 47% | 0.472 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.4 | -17.2 | 170 | -63 | 0 | 0 | 0 | 0 | 112.7 | L650 | L650-T652 WeakPolarHBondContact CD1-OG1 3.49Å; L650-T652 WeakPolarHBondContact CD2-OG1 3.39Å |
| 653 | Y | 42.2 | Very low | 49.1 | Very low | 209 Ų | 209 | 110.8 Ų | 110.8 | 82% | 0.82 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | 21.2 | -171.2 | -77.3 | -81.4 | 0 | 0 | 0 | 115 | P651 | P651-Y653 VanDerWaalsContact C-N 3.25Å; P651-Y653 PolarHBondContact O-N 3.15Å |
| 654 | M | 63.8 | Low | 51.7 | Low | 63 Ų | 63 | 111 Ų | 111 | 31% | 0.31 | 56% | 0.559 | S | S | . | * | | | trans | -81.9 | 127.4 | 175.3 | -73 | -68.8 | 169.7 | 0 | 0 | 112.1 | P651 Q658 Q659 | P651-M654 HydrophobicContact CB-CB 4.3Å; P651-M654 HydrophobicContact CB-CE 4.07Å; P651-M654 HydrophobicContact CB-CG 3.34Å; P651-M654 HydrophobicContact CG-CG 4.1Å; M654-Q658 HydrophobicContact CB-CB 4.05Å; M654-Q658 HydrophobicContact CG-CB 4.29Å; M654-Q658 HydrophobicContact SD-CB 3.49Å; M654-Q658 WeakPolarHBondContact SD-CB 3.49Å; M654-Q658 VanDerWaalsContact SD-CD 3.52Å; M654-Q658 HydrophobicContact SD-CG 4.04Å; M654-Q659 HydrophobicContact CB-CG 3.75Å; M654-Q659 PolarHBondContact O-NE2 3.04Å |
| 655 | N | 65.6 | Low | 54.1 | Low | 82 Ų | 82 | 110.4 Ų | 110.4 | 44% | 0.439 | 55% | 0.546 | S | S | . | . | | | trans | -58.9 | 149.9 | 169.7 | -179.8 | -71.5 | 0 | 0 | 0 | 110.7 | I657 Q658 Q659 | N655-I657 PolarHBondContact O-N 3.08Å; N655-I657 PolarHBondContact OD1-N 2.76Å; N655-Q658 HydrophobicContact CB-CG 4.27Å; N655-Q658 CarbonylContact O-C 3.59Å; N655-Q658 WeakPolarHBondContact O-CA 3.48Å; N655-Q658 WeakPolarHBondContact O-CB 3.1Å; N655-Q658 PolarHBondContact O-N 3.41Å; N655-Q659 PolarHBondContact O-N 3.03Å |
| 656 | P | 57.9 | Low | 56.5 | Low | 49 Ų | 49 | 105.5 Ų | 105.5 | 32% | 0.318 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -47.9 | -34 | 176.7 | -30.7 | 34.6 | 0 | 0 | 0 | 115.9 | S660 L1135 | P656-S660 PolarHBondContact O-N 3.1Å; P656-L1135 WeakPolarHBondContact CG-O 3.22Å |
| 657 | I | 61.2 | Low | 58.9 | Low | 121 Ų | 121 | 102.6 Ų | 102.6 | 62% | 0.621 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.5 | -48.4 | 174.1 | -62.1 | 177.2 | 0 | 0 | 0 | 110.3 | N655 Q659 S660 V661 | N655-I657 PolarHBondContact O-N 3.08Å; N655-I657 PolarHBondContact OD1-N 2.76Å; I657-Q659 VanDerWaalsContact C-N 3.33Å; I657-Q659 PolarHBondContact O-N 2.72Å; I657-S660 PolarHBondContact O-N 2.83Å; I657-S660 VanDerWaalsContact O-N 3.08Å; I657-S660 PolarHBondContact O-OG 3.25Å; I657-V661 PolarHBondContact O-N 3.37Å |
| 658 | Q | 67.5 | Low | 61.3 | Low | 96 Ų | 96 | 98.8 Ų | 98.8 | 45% | 0.449 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 177.1 | -62.2 | 169.4 | -64.2 | 0 | 0 | 111.8 | M654 N655 S660 V661 Y662 | M654-Q658 HydrophobicContact CB-CB 4.05Å; M654-Q658 HydrophobicContact CG-CB 4.29Å; M654-Q658 HydrophobicContact SD-CB 3.49Å; M654-Q658 WeakPolarHBondContact SD-CB 3.49Å; M654-Q658 VanDerWaalsContact SD-CD 3.52Å; M654-Q658 HydrophobicContact SD-CG 4.04Å; N655-Q658 HydrophobicContact CB-CG 4.27Å; N655-Q658 CarbonylContact O-C 3.59Å; N655-Q658 WeakPolarHBondContact O-CA 3.48Å; N655-Q658 WeakPolarHBondContact O-CB 3.1Å; N655-Q658 PolarHBondContact O-N 3.41Å; Q658-S660 VanDerWaalsContact C-N 3.32Å; Q658-S660 PolarHBondContact O-N 3.13Å; Q658-V661 PolarHBondContact O-N 2.99Å; Q658-Y662 VanDerWaalsContact O-CB 3.24Å; Q658-Y662 WeakPolarHBondContact O-CB 3.28Å; Q658-Y662 PolarHBondContact O-N 3.18Å |
| 659 | Q | 65.5 | Low | 63.6 | Low | 74 Ų | 74 | 101.4 Ų | 101.4 | 35% | 0.346 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 171.6 | -67.5 | -174.7 | 17.5 | 0 | 0 | 111.7 | M654 N655 I657 Y662 W663 | M654-Q659 HydrophobicContact CB-CG 3.75Å; M654-Q659 PolarHBondContact O-NE2 3.04Å; N655-Q659 PolarHBondContact O-N 3.03Å; I657-Q659 VanDerWaalsContact C-N 3.33Å; I657-Q659 PolarHBondContact O-N 2.72Å; Q659-Y662 PolarHBondContact O-N 3.21Å; Q659-W663 WeakPolarHBondContact O-CB 3.42Å; Q659-W663 PolarHBondContact O-N 2.76Å |
| 660 | S | 68.1 | Low | 65.5 | Low | 68 Ų | 68 | 98.6 Ų | 98.6 | 48% | 0.476 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.6 | -38 | 176.6 | 74.6 | 0 | 0 | 0 | 0 | 112.9 | P656 I657 Q658 Q664 | P656-S660 PolarHBondContact O-N 3.1Å; I657-S660 PolarHBondContact O-N 2.83Å; I657-S660 VanDerWaalsContact O-N 3.08Å; I657-S660 PolarHBondContact O-OG 3.25Å; Q658-S660 VanDerWaalsContact C-N 3.32Å; Q658-S660 PolarHBondContact O-N 3.13Å; S660-Q664 VanDerWaalsContact O-CB 3.32Å; S660-Q664 WeakPolarHBondContact O-CB 3.39Å; S660-Q664 PolarHBondContact O-N 3.13Å |
| 661 | V | 76.6 | Confident | 67.3 | Low | 81 Ų | 81 | 96.7 Ų | 96.7 | 49% | 0.491 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68 | -44.1 | 174.1 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | I657 Q658 Q664 Q665 | I657-V661 PolarHBondContact O-N 3.37Å; Q658-V661 PolarHBondContact O-N 2.99Å; V661-Q664 PolarHBondContact O-N 2.98Å; V661-Q665 WeakPolarHBondContact O-CB 3.35Å; V661-Q665 PolarHBondContact O-N 3.33Å |
| 662 | Y | 78.7 | Confident | 68.9 | Low | 101 Ų | 101 | 96.5 Ų | 96.5 | 40% | 0.396 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 176.2 | 179.5 | -94.9 | 0 | 0 | 0 | 112.1 | Q658 Q659 Q665 Q666 | Q658-Y662 VanDerWaalsContact O-CB 3.24Å; Q658-Y662 WeakPolarHBondContact O-CB 3.28Å; Q658-Y662 PolarHBondContact O-N 3.18Å; Q659-Y662 PolarHBondContact O-N 3.21Å; Y662-Q665 PolarHBondContact O-N 3.03Å; Y662-Q666 HydrophobicContact CE1-CG 4.09Å; Y662-Q666 VanDerWaalsContact CE1-NE2 3.34Å; Y662-Q666 PolarHBondContact O-N 2.91Å; Y662-Q666 PolarHBondContact OH-NE2 3.26Å |
| 663 | W | 66.8 | Low | 70.3 | Confident | 143 Ų | 143 | 98.4 Ų | 98.4 | 54% | 0.542 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.7 | -37.3 | 175 | -90.8 | 110 | 0 | 0 | 0 | 113.2 | Q659 Q665 Q667 | Q659-W663 WeakPolarHBondContact O-CB 3.42Å; Q659-W663 PolarHBondContact O-N 2.76Å; W663-Q665 VanDerWaalsContact C-N 3.33Å; W663-Q667 PolarHBondContact O-N 2.78Å |
| 664 | Q | 81.1 | Confident | 71.8 | Confident | 119 Ų | 119 | 92.9 Ų | 92.9 | 56% | 0.556 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.8 | -37 | 173.8 | -174.3 | 173.5 | -19.9 | 0 | 0 | 111.3 | S660 V661 Q667 Q668 | S660-Q664 VanDerWaalsContact O-CB 3.32Å; S660-Q664 WeakPolarHBondContact O-CB 3.39Å; S660-Q664 PolarHBondContact O-N 3.13Å; V661-Q664 PolarHBondContact O-N 2.98Å; Q664-Q667 PolarHBondContact O-N 3.24Å; Q664-Q668 WeakPolarHBondContact O-CB 3.17Å; Q664-Q668 PolarHBondContact O-N 2.92Å |
| 665 | Q | 81.8 | Confident | 72.1 | Confident | 112 Ų | 112 | 96.5 Ų | 96.5 | 52% | 0.523 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -73.3 | -35.1 | 177 | -165.7 | 162.8 | 16.4 | 0 | 0 | 112.4 | V661 Y662 W663 Q668 Q669 | V661-Q665 WeakPolarHBondContact O-CB 3.35Å; V661-Q665 PolarHBondContact O-N 3.33Å; Y662-Q665 PolarHBondContact O-N 3.03Å; W663-Q665 VanDerWaalsContact C-N 3.33Å; Q665-Q668 PolarHBondContact O-N 3.3Å; Q665-Q669 WeakPolarHBondContact O-CB 3.38Å; Q665-Q669 VanDerWaalsContact O-CG 3.3Å; Q665-Q669 WeakPolarHBondContact O-CG 3.34Å; Q665-Q669 PolarHBondContact O-N 2.84Å |
| 666 | Q | 78.9 | Confident | 72.4 | Confident | 53 Ų | 53 | 99.1 Ų | 99.1 | 25% | 0.248 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 168.5 | -86.2 | -154 | 10.1 | 0 | 0 | 111.8 | Y662 Q668 Q669 Q670 | Y662-Q666 HydrophobicContact CE1-CG 4.09Å; Y662-Q666 VanDerWaalsContact CE1-NE2 3.34Å; Y662-Q666 PolarHBondContact O-N 2.91Å; Y662-Q666 PolarHBondContact OH-NE2 3.26Å; Q666-Q668 VanDerWaalsContact C-N 3.29Å; Q666-Q668 PolarHBondContact O-N 3.18Å; Q666-Q669 PolarHBondContact O-N 2.78Å; Q666-Q670 WeakPolarHBondContact O-CG 3.35Å; Q666-Q670 PolarHBondContact O-N 3.42Å |
| 667 | Q | 76.9 | Confident | 73.1 | Confident | 90 Ų | 90 | 101.3 Ų | 101.3 | 42% | 0.421 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 175.4 | -77.3 | 179.3 | 35.1 | 0 | 0 | 111.2 | W663 Q664 Q669 Q670 E671 | W663-Q667 PolarHBondContact O-N 2.78Å; Q664-Q667 PolarHBondContact O-N 3.24Å; Q667-Q669 VanDerWaalsContact C-N 3.32Å; Q667-Q669 PolarHBondContact O-N 2.9Å; Q667-Q670 PolarHBondContact O-N 2.95Å; Q667-E671 WeakPolarHBondContact O-CB 3.43Å; Q667-E671 WeakPolarHBondContact O-CG 3.22Å; Q667-E671 PolarHBondContact O-N 3.29Å |
| 668 | Q | 77.7 | Confident | 73.8 | Confident | 122 Ų | 122 | 100.1 Ų | 100.1 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.8 | -28.5 | 179.3 | -163.4 | 151 | 73 | 0 | 0 | 113 | Q664 Q665 Q666 C672 | Q664-Q668 WeakPolarHBondContact O-CB 3.17Å; Q664-Q668 PolarHBondContact O-N 2.92Å; Q665-Q668 PolarHBondContact O-N 3.3Å; Q666-Q668 VanDerWaalsContact C-N 3.29Å; Q666-Q668 PolarHBondContact O-N 3.18Å; Q668-C672 WeakPolarHBondContact O-CB 3.45Å; Q668-C672 PolarHBondContact O-N 2.75Å; Q668-C672 VanDerWaalsContact O-N 3.12Å |
| 669 | Q | 75.4 | Confident | 74.1 | Confident | 121 Ų | 121 | 102 Ų | 102 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -72.4 | -40 | 168.7 | -75 | 173.5 | 3.7 | 0 | 0 | 112.2 | Q665 Q666 Q667 C672 H673 | Q665-Q669 WeakPolarHBondContact O-CB 3.38Å; Q665-Q669 VanDerWaalsContact O-CG 3.3Å; Q665-Q669 WeakPolarHBondContact O-CG 3.34Å; Q665-Q669 PolarHBondContact O-N 2.84Å; Q666-Q669 PolarHBondContact O-N 2.78Å; Q667-Q669 VanDerWaalsContact C-N 3.32Å; Q667-Q669 PolarHBondContact O-N 2.9Å; Q669-C672 CarbonylContact O-C 3.59Å; Q669-C672 PolarHBondContact O-N 3.2Å; Q669-H673 PolarHBondContact O-N 2.85Å |
| 670 | Q | 71.8 | Confident | 74.4 | Confident | 104 Ų | 104 | 101.2 Ų | 101.2 | 49% | 0.486 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.6 | -37.6 | 175.6 | -73.3 | 177 | -7.3 | 0 | 0 | 112.3 | Q666 Q667 C672 H673 H674 | Q666-Q670 WeakPolarHBondContact O-CG 3.35Å; Q666-Q670 PolarHBondContact O-N 3.42Å; Q667-Q670 PolarHBondContact O-N 2.95Å; Q670-C672 VanDerWaalsContact C-N 3.35Å; Q670-H673 PolarHBondContact O-N 3.09Å; Q670-H674 PolarHBondContact O-N 3.44Å; Q670-H674 PolarHBondContact O-ND1 3.31Å |
| 671 | E | 74.5 | Confident | 74.7 | Confident | 85 Ų | 85 | 101.9 Ų | 101.9 | 40% | 0.397 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 169.9 | -74.1 | 174 | 167.7 | 0 | 0 | 110.8 | Q667 Q675 Y1387 | Q667-E671 WeakPolarHBondContact O-CB 3.43Å; Q667-E671 WeakPolarHBondContact O-CG 3.22Å; Q667-E671 PolarHBondContact O-N 3.29Å; E671-Q675 WeakPolarHBondContact O-CG 3.49Å; E671-Q675 PolarHBondContact O-N 3.11Å; E671-Y1387 WeakPolarHBondContact OE1-CE1 3.4Å |
| 672 | C | 71.4 | Confident | 74.5 | Confident | 57 Ų | 57 | 103.2 Ų | 103.2 | 39% | 0.385 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.1 | -36.7 | 176.2 | -171.2 | 0 | 0 | 0 | 0 | 113 | Q668 Q669 Q670 Q675 K676 | Q668-C672 WeakPolarHBondContact O-CB 3.45Å; Q668-C672 PolarHBondContact O-N 2.75Å; Q668-C672 VanDerWaalsContact O-N 3.12Å; Q669-C672 CarbonylContact O-C 3.59Å; Q669-C672 PolarHBondContact O-N 3.2Å; Q670-C672 VanDerWaalsContact C-N 3.35Å; C672-Q675 PolarHBondContact O-N 3.22Å; C672-K676 WeakPolarHBondContact O-CG 3.13Å; C672-K676 PolarHBondContact O-N 3.05Å |
| 673 | H | 72.7 | Confident | 74.2 | Confident | 117 Ų | 117 | 105.3 Ų | 105.3 | 54% | 0.542 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63 | -53.3 | 174 | -161.8 | -77.9 | 0 | 0 | 0 | 110.4 | Q669 Q670 Q675 K676 E677 | Q669-H673 PolarHBondContact O-N 2.85Å; Q670-H673 PolarHBondContact O-N 3.09Å; H673-Q675 PolarHBondContact O-N 3.09Å; H673-K676 PolarHBondContact O-N 3.32Å; H673-E677 IonicContact CE1-OE2 3.62Å; H673-E677 PolarHBondContact CE1-OE2 3.06Å; H673-E677 IonicContact ND1-OE2 3.87Å; H673-E677 PolarHBondContact ND1-OE2 3.12Å; H673-E677 VanDerWaalsContact O-CB 3.26Å; H673-E677 WeakPolarHBondContact O-CB 3.49Å; H673-E677 PolarHBondContact O-N 2.89Å |
| 674 | H | 73.2 | Confident | 74.4 | Confident | 92 Ų | 92 | 101.9 Ų | 101.9 | 43% | 0.426 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.9 | -35.9 | 176.1 | -78.9 | 92.7 | 0 | 0 | 0 | 112.6 | Q670 H678 R1384 | Q670-H674 PolarHBondContact O-N 3.44Å; Q670-H674 PolarHBondContact O-ND1 3.31Å; H674-H678 WeakPolarHBondContact O-CB 3.18Å; H674-H678 PolarHBondContact O-N 3.12Å; H674-R1384 PolarHBondContact CD2-NH2 2.8Å |
| 675 | Q | 71.1 | Confident | 73.9 | Confident | 139 Ų | 139 | 102 Ų | 102 | 65% | 0.65 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.4 | -40.5 | 174.6 | -79.8 | -176.2 | -13 | 0 | 0 | 113 | E671 C672 H673 Q679 | E671-Q675 WeakPolarHBondContact O-CG 3.49Å; E671-Q675 PolarHBondContact O-N 3.11Å; C672-Q675 PolarHBondContact O-N 3.22Å; H673-Q675 PolarHBondContact O-N 3.09Å; Q675-Q679 WeakPolarHBondContact O-CB 3.41Å; Q675-Q679 WeakPolarHBondContact O-CG 3.43Å; Q675-Q679 PolarHBondContact O-N 3.2Å |
| 676 | K | 72.3 | Confident | 73.1 | Confident | 138 Ų | 138 | 102.2 Ų | 102.2 | 60% | 0.6 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.2 | -41 | 175.3 | -75.9 | 178 | 176.2 | -176.8 | 0 | 112.3 | C672 H673 Q679 S680 | C672-K676 WeakPolarHBondContact O-CG 3.13Å; C672-K676 PolarHBondContact O-N 3.05Å; H673-K676 PolarHBondContact O-N 3.32Å; K676-Q679 CarbonylContact O-C 3.57Å; K676-Q679 PolarHBondContact O-N 3.4Å; K676-S680 WeakPolarHBondContact O-CB 3.31Å; K676-S680 PolarHBondContact O-N 3.18Å |
| 677 | E | 72.8 | Confident | 72.6 | Confident | 95 Ų | 95 | 102.8 Ų | 102.8 | 44% | 0.444 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -48.2 | 177.5 | -165.1 | 169.1 | 175.2 | 0 | 0 | 110 | H673 Q679 S680 D681 | H673-E677 IonicContact CE1-OE2 3.62Å; H673-E677 PolarHBondContact CE1-OE2 3.06Å; H673-E677 IonicContact ND1-OE2 3.87Å; H673-E677 PolarHBondContact ND1-OE2 3.12Å; H673-E677 VanDerWaalsContact O-CB 3.26Å; H673-E677 WeakPolarHBondContact O-CB 3.49Å; H673-E677 PolarHBondContact O-N 2.89Å; E677-Q679 VanDerWaalsContact C-N 3.31Å; E677-Q679 PolarHBondContact O-N 2.88Å; E677-S680 CarbonylContact O-C 3.28Å; E677-S680 WeakPolarHBondContact O-CA 3.11Å; E677-S680 WeakPolarHBondContact O-CB 3.32Å; E677-S680 PolarHBondContact O-N 2.93Å; E677-D681 PolarHBondContact O-N 2.98Å |
| 678 | H | 75.6 | Confident | 71.7 | Confident | 96 Ų | 96 | 103.2 Ų | 103.2 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.4 | -26.6 | 175.5 | -155.4 | -32.6 | 0 | 0 | 0 | 113.5 | H674 Q682 | H674-H678 WeakPolarHBondContact O-CB 3.18Å; H674-H678 PolarHBondContact O-N 3.12Å; H678-Q682 WeakPolarHBondContact O-CB 3.34Å; H678-Q682 WeakPolarHBondContact O-CG 3.13Å; H678-Q682 PolarHBondContact O-N 2.8Å |
| 679 | Q | 72 | Confident | 70.6 | Confident | 134 Ų | 134 | 102.8 Ų | 102.8 | 63% | 0.626 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -74.4 | -37.2 | 167.4 | -85.8 | -172.2 | -18.6 | 0 | 0 | 112.5 | Q675 K676 E677 Q682 Y683 | Q675-Q679 WeakPolarHBondContact O-CB 3.41Å; Q675-Q679 WeakPolarHBondContact O-CG 3.43Å; Q675-Q679 PolarHBondContact O-N 3.2Å; K676-Q679 CarbonylContact O-C 3.57Å; K676-Q679 PolarHBondContact O-N 3.4Å; E677-Q679 VanDerWaalsContact C-N 3.31Å; E677-Q679 PolarHBondContact O-N 2.88Å; Q679-Q682 PolarHBondContact O-N 2.87Å; Q679-Y683 VanDerWaalsContact O-CB 3.29Å; Q679-Y683 WeakPolarHBondContact O-CB 3.35Å; Q679-Y683 PolarHBondContact O-N 2.94Å |
| 680 | S | 72.2 | Confident | 69.1 | Low | 59 Ų | 59 | 102 Ų | 102 | 41% | 0.413 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 174 | -170.6 | 0 | 0 | 0 | 0 | 110.2 | K676 E677 Y683 N684 | K676-S680 WeakPolarHBondContact O-CB 3.31Å; K676-S680 PolarHBondContact O-N 3.18Å; E677-S680 CarbonylContact O-C 3.28Å; E677-S680 WeakPolarHBondContact O-CA 3.11Å; E677-S680 WeakPolarHBondContact O-CB 3.32Å; E677-S680 PolarHBondContact O-N 2.93Å; S680-Y683 CarbonylContact O-C 3.47Å; S680-Y683 PolarHBondContact O-N 3.11Å; S680-N684 VanDerWaalsContact O-CB 3.3Å; S680-N684 WeakPolarHBondContact O-CB 3.39Å; S680-N684 PolarHBondContact O-N 3.13Å; S680-N684 PolarHBondContact O-ND2 2.78Å |
| 681 | D | 74.4 | Confident | 68.2 | Low | 82 Ų | 82 | 101.6 Ų | 101.6 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 173.6 | -74.4 | -23 | 0 | 0 | 0 | 112.4 | E677 Y683 N684 Q685 | E677-D681 PolarHBondContact O-N 2.98Å; D681-Y683 VanDerWaalsContact C-N 3.33Å; D681-Y683 PolarHBondContact O-N 2.94Å; D681-N684 PolarHBondContact O-N 3Å; D681-Q685 VanDerWaalsContact O-CB 3.27Å; D681-Q685 WeakPolarHBondContact O-CB 3.2Å; D681-Q685 WeakPolarHBondContact O-CG 3.41Å; D681-Q685 PolarHBondContact O-N 3.35Å |
| 682 | Q | 72.9 | Confident | 66.7 | Low | 109 Ų | 109 | 102.3 Ų | 102.3 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 172.2 | -82.7 | -171.4 | -27.9 | 0 | 0 | 112.4 | H678 Q679 Q686 | H678-Q682 WeakPolarHBondContact O-CB 3.34Å; H678-Q682 WeakPolarHBondContact O-CG 3.13Å; H678-Q682 PolarHBondContact O-N 2.8Å; Q679-Q682 PolarHBondContact O-N 2.87Å; Q682-Q686 WeakPolarHBondContact O-CB 3.12Å; Q682-Q686 WeakPolarHBondContact O-CG 3.35Å; Q682-Q686 PolarHBondContact O-N 3.5Å |
| 683 | Y | 71.8 | Confident | 65.1 | Low | 145 Ų | 145 | 104.5 Ų | 104.5 | 57% | 0.569 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.8 | -39 | 177.2 | -172 | -111 | 0 | 0 | 0 | 111.9 | Q679 S680 D681 Q686 I687 | Q679-Y683 VanDerWaalsContact O-CB 3.29Å; Q679-Y683 WeakPolarHBondContact O-CB 3.35Å; Q679-Y683 PolarHBondContact O-N 2.94Å; S680-Y683 CarbonylContact O-C 3.47Å; S680-Y683 PolarHBondContact O-N 3.11Å; D681-Y683 VanDerWaalsContact C-N 3.33Å; D681-Y683 PolarHBondContact O-N 2.94Å; Y683-Q686 CarbonylContact O-C 3.56Å; Y683-Q686 PolarHBondContact O-N 2.99Å; Y683-I687 HydrophobicContact CD1-CD1 3.86Å; Y683-I687 HydrophobicContact CE1-CD1 3.36Å; Y683-I687 HydrophobicContact CE1-CG1 4.26Å; Y683-I687 WeakPolarHBondContact O-CB 3.42Å; Y683-I687 WeakPolarHBondContact O-CG1 3.46Å; Y683-I687 PolarHBondContact O-N 3.21Å |
| 684 | N | 71.9 | Confident | 63.2 | Low | 70 Ų | 70 | 104.8 Ų | 104.8 | 37% | 0.374 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69 | -37.6 | 174.1 | -70.1 | -27 | 0 | 0 | 0 | 111.4 | S680 D681 I687 N688 | S680-N684 VanDerWaalsContact O-CB 3.3Å; S680-N684 WeakPolarHBondContact O-CB 3.39Å; S680-N684 PolarHBondContact O-N 3.13Å; S680-N684 PolarHBondContact O-ND2 2.78Å; D681-N684 PolarHBondContact O-N 3Å; N684-I687 PolarHBondContact O-N 3.08Å; N684-N688 VanDerWaalsContact O-CB 3.26Å; N684-N688 WeakPolarHBondContact O-CB 3.14Å; N684-N688 PolarHBondContact O-N 3.43Å; N684-N688 PolarHBondContact O-ND2 2.83Å |
| 685 | Q | 70.3 | Confident | 61.1 | Low | 122 Ų | 122 | 105.6 Ų | 105.6 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.7 | -41.4 | 170.3 | -74.2 | 173.7 | 20.7 | 0 | 0 | 111.4 | D681 N688 L689 | D681-Q685 VanDerWaalsContact O-CB 3.27Å; D681-Q685 WeakPolarHBondContact O-CB 3.2Å; D681-Q685 WeakPolarHBondContact O-CG 3.41Å; D681-Q685 PolarHBondContact O-N 3.35Å; Q685-N688 PolarHBondContact O-N 2.68Å; Q685-L689 WeakPolarHBondContact O-CB 3.44Å; Q685-L689 VanDerWaalsContact O-CG 3.27Å; Q685-L689 WeakPolarHBondContact O-CG 3.06Å; Q685-L689 PolarHBondContact O-N 3.29Å |
| 686 | Q | 65.9 | Low | 59.2 | Low | 116 Ų | 116 | 107.4 Ų | 107.4 | 54% | 0.542 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.4 | -41.8 | 172.9 | -79.5 | -175.6 | -6.4 | 0 | 0 | 112.4 | Q682 Y683 L689 L690 | Q682-Q686 WeakPolarHBondContact O-CB 3.12Å; Q682-Q686 WeakPolarHBondContact O-CG 3.35Å; Q682-Q686 PolarHBondContact O-N 3.5Å; Y683-Q686 CarbonylContact O-C 3.56Å; Y683-Q686 PolarHBondContact O-N 2.99Å; Q686-L689 PolarHBondContact O-N 2.95Å; Q686-L690 VanDerWaalsContact O-CB 3.29Å; Q686-L690 WeakPolarHBondContact O-CB 3.43Å; Q686-L690 WeakPolarHBondContact O-CD1 3.25Å; Q686-L690 VanDerWaalsContact O-CG 3.31Å; Q686-L690 WeakPolarHBondContact O-CG 3.22Å; Q686-L690 PolarHBondContact O-N 3.26Å |
| 687 | I | 68 | Low | 57.2 | Low | 65 Ų | 65 | 106.1 Ų | 106.1 | 33% | 0.333 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.9 | -41.4 | 173.6 | -79.1 | 179.9 | 0 | 0 | 0 | 110.7 | Y683 N684 L689 L690 T691 | Y683-I687 HydrophobicContact CD1-CD1 3.86Å; Y683-I687 HydrophobicContact CE1-CD1 3.36Å; Y683-I687 HydrophobicContact CE1-CG1 4.26Å; Y683-I687 WeakPolarHBondContact O-CB 3.42Å; Y683-I687 WeakPolarHBondContact O-CG1 3.46Å; Y683-I687 PolarHBondContact O-N 3.21Å; N684-I687 PolarHBondContact O-N 3.08Å; I687-L689 VanDerWaalsContact C-N 3.35Å; I687-L690 PolarHBondContact O-N 3.39Å; I687-T691 WeakPolarHBondContact O-CB 3.21Å; I687-T691 PolarHBondContact O-N 2.93Å; I687-T691 PolarHBondContact O-OG1 3.07Å |
| 688 | N | 58.1 | Low | 55.1 | Low | 100 Ų | 100 | 108.7 Ų | 108.7 | 54% | 0.535 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68 | -34.9 | 177 | -75.6 | -28.3 | 0 | 0 | 0 | 111.7 | N684 Q685 S692 | N684-N688 VanDerWaalsContact O-CB 3.26Å; N684-N688 WeakPolarHBondContact O-CB 3.14Å; N684-N688 PolarHBondContact O-N 3.43Å; N684-N688 PolarHBondContact O-ND2 2.83Å; Q685-N688 PolarHBondContact O-N 2.68Å; N688-S692 WeakPolarHBondContact O-CB 3.42Å; N688-S692 PolarHBondContact O-N 3.17Å; N688-S692 PolarHBondContact O-OG 3.16Å |
| 689 | L | 54.7 | Low | 52.8 | Low | 112 Ų | 112 | 112 Ų | 112 | 59% | 0.586 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.5 | -45.1 | 170.8 | -74.5 | 163.8 | 0 | 0 | 0 | 112.1 | Q685 Q686 I687 T691 S692 T693 | Q685-L689 WeakPolarHBondContact O-CB 3.44Å; Q685-L689 VanDerWaalsContact O-CG 3.27Å; Q685-L689 WeakPolarHBondContact O-CG 3.06Å; Q685-L689 PolarHBondContact O-N 3.29Å; Q686-L689 PolarHBondContact O-N 2.95Å; I687-L689 VanDerWaalsContact C-N 3.35Å; L689-T691 VanDerWaalsContact C-N 3.29Å; L689-T691 PolarHBondContact O-N 3.42Å; L689-S692 PolarHBondContact O-N 2.81Å; L689-T693 WeakPolarHBondContact O-CB 3.45Å; L689-T693 WeakPolarHBondContact O-CG2 3.38Å; L689-T693 PolarHBondContact O-N 3.47Å; L689-T693 PolarHBondContact O-OG1 2.94Å |
| 690 | L | 44.3 | Very low | 50.6 | Low | 106 Ų | 106 | 109.7 Ų | 109.7 | 56% | 0.555 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.1 | -31.3 | 175.8 | -78.2 | 161 | 0 | 0 | 0 | 112.6 | Q686 I687 T693 N694 | Q686-L690 VanDerWaalsContact O-CB 3.29Å; Q686-L690 WeakPolarHBondContact O-CB 3.43Å; Q686-L690 WeakPolarHBondContact O-CD1 3.25Å; Q686-L690 VanDerWaalsContact O-CG 3.31Å; Q686-L690 WeakPolarHBondContact O-CG 3.22Å; Q686-L690 PolarHBondContact O-N 3.26Å; I687-L690 PolarHBondContact O-N 3.39Å; L690-T693 WeakPolarHBondContact CA-OG1 3.09Å; L690-T693 PolarHBondContact O-OG1 3.45Å; L690-N694 PolarHBondContact O-ND2 3.47Å |
| 691 | T | 51.4 | Low | 48.5 | Very low | 94 Ų | 94 | 115.8 Ų | 115.8 | 58% | 0.577 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -79.8 | -38.9 | 176.4 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | I687 L689 T693 N694 | I687-T691 WeakPolarHBondContact O-CB 3.21Å; I687-T691 PolarHBondContact O-N 2.93Å; I687-T691 PolarHBondContact O-OG1 3.07Å; L689-T691 VanDerWaalsContact C-N 3.29Å; L689-T691 PolarHBondContact O-N 3.42Å; T691-T693 VanDerWaalsContact C-N 3.25Å; T691-T693 PolarHBondContact O-N 2.79Å; T691-N694 PolarHBondContact O-N 3.32Å |
| 692 | S | 42.9 | Very low | 46.2 | Very low | 100 Ų | 100 | 116.1 Ų | 116.1 | 70% | 0.699 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.1 | -20 | 174.5 | -59.8 | 0 | 0 | 0 | 0 | 113.5 | N688 L689 | N688-S692 WeakPolarHBondContact O-CB 3.42Å; N688-S692 PolarHBondContact O-N 3.17Å; N688-S692 PolarHBondContact O-OG 3.16Å; L689-S692 PolarHBondContact O-N 2.81Å |
| 693 | T | 38.9 | Very low | 44 | Very low | 103 Ų | 103 | 118 Ų | 118 | 63% | 0.632 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -5 | 179.1 | 44 | 0 | 0 | 0 | 0 | 114.3 | L689 L690 T691 | L689-T693 WeakPolarHBondContact O-CB 3.45Å; L689-T693 WeakPolarHBondContact O-CG2 3.38Å; L689-T693 PolarHBondContact O-N 3.47Å; L689-T693 PolarHBondContact O-OG1 2.94Å; L690-T693 WeakPolarHBondContact CA-OG1 3.09Å; L690-T693 PolarHBondContact O-OG1 3.45Å; T691-T693 VanDerWaalsContact C-N 3.25Å; T691-T693 PolarHBondContact O-N 2.79Å |
| 694 | N | 32.5 | Very low | 41.9 | Very low | 124 Ų | 124 | 115.2 Ų | 115.2 | 66% | 0.663 | 64% | 0.642 | S | S | * | * | | | trans | -103.2 | 60.8 | -179 | -86.4 | -72.3 | 0 | 0 | 0 | 112.9 | L690 T691 | L690-N694 PolarHBondContact O-ND2 3.47Å; T691-N694 PolarHBondContact O-N 3.32Å |
| 695 | S | 29.9 | Very low | 39.9 | Very low | 109 Ų | 109 | 118 Ų | 118 | 76% | 0.762 | 66% | 0.657 | S | S | * | * | | | trans | -159 | 85.9 | 164.5 | -87.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 696 | L | 31.6 | Very low | 37.9 | Very low | 176 Ų | 176 | 118.8 Ų | 118.8 | 92% | 0.921 | 66% | 0.658 | S | S | * | * | | | trans | -157.9 | 141 | 143.4 | -109 | 162.2 | 0 | 0 | 0 | 109.2 | | |
| 697 | N | 29.3 | Very low | 36.1 | Very low | 112 Ų | 112 | 120.2 Ų | 120.2 | 60% | 0.599 | 67% | 0.665 | S | S | * | * | | | trans | -109.8 | 163.2 | -165 | -77 | -59.6 | 0 | 0 | 0 | 113.5 | | |
| 698 | N | 27.6 | Very low | 34.2 | Very low | 149 Ų | 149 | 121.9 Ų | 121.9 | 80% | 0.797 | 68% | 0.683 | S | S | * | * | | | trans | 73.3 | 106.4 | 155.7 | -57.4 | -31.8 | 0 | 0 | 0 | 119.4 | | |
| 699 | I | 28.1 | Very low | 32.8 | Very low | 164 Ų | 164 | 124.5 Ų | 124.5 | 84% | 0.841 | 70% | 0.696 | S | S | * | * | | | trans | -162 | 98 | 132.8 | -95.6 | 147 | 0 | 0 | 0 | 103.8 | | |
| 700 | S | 26.4 | Very low | 31.5 | Very low | 87 Ų | 87 | 125.5 Ų | 125.5 | 61% | 0.608 | 70% | 0.701 | S | S | * | * | | | | 81.9 | 109.8 | 65.3 | 75.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 701 | H | 26.8 | Very low | 30.7 | Very low | 186 Ų | 186 | 128.2 Ų | 128.2 | 86% | 0.861 | 71% | 0.711 | S | S | * | * | | | trans | 64.4 | 150.6 | 174 | -63.5 | -80.8 | 0 | 0 | 0 | 115.4 | | |
| 702 | S | 26.3 | Very low | 29.6 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 62% | 0.622 | 72% | 0.723 | S | S | * | * | | | cis | -161 | 166.9 | -9 | 37.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 703 | D | 27.6 | Very low | 28.9 | Very low | 149 Ų | 149 | 135.1 Ų | 135.1 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | | | trans | 31.8 | 130.8 | 149.4 | -51.1 | -24.6 | 0 | 0 | 0 | 119.1 | | |
| 704 | S | 27.3 | Very low | 28.4 | Very low | 86 Ų | 86 | 138.1 Ų | 138.1 | 60% | 0.601 | 73% | 0.729 | S | S | * | * | | | cis | 168 | 175.2 | 8.6 | 48.6 | 0 | 0 | 0 | 0 | 105.8 | | |
| 705 | N | 30.2 | Very low | 28.2 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | | | trans | 70.7 | 142.9 | 169.7 | -53 | -59.4 | 0 | 0 | 0 | 116.5 | | |
| 706 | K | 29.1 | Very low | 28.1 | Very low | 139 Ų | 139 | 141 Ų | 141 | 60% | 0.604 | 73% | 0.726 | S | S | * | * | | | cis | -165 | 164 | -17 | -119.6 | 166.8 | 176.3 | -79 | 0 | 109.3 | | |
| 707 | E | 26.8 | Very low | 28.2 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | | | trans | 22.2 | 120.7 | 141.1 | -66.7 | 144.3 | -161.9 | 0 | 0 | 117.1 | | |
| 708 | S | 29.3 | Very low | 28.2 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | | | | 175.9 | 166.9 | 56.8 | 48.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 709 | L | 28.1 | Very low | 28.3 | Very low | 154 Ų | 154 | 138 Ų | 138 | 81% | 0.806 | 73% | 0.729 | S | S | * | * | | | trans | 58.6 | 141 | 160.9 | -89.5 | 66 | 0 | 0 | 0 | 119 | | |
| 710 | L | 26.6 | Very low | 28.3 | Very low | 133 Ų | 133 | 138 Ų | 138 | 70% | 0.696 | 73% | 0.727 | S | S | * | * | | | cis | 168.2 | 119.4 | -37 | -102.6 | 165.7 | 0 | 0 | 0 | 107.3 | | |
| 711 | H | 27.3 | Very low | 28.4 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | | | trans | 52.9 | 110.6 | 136.1 | -82.8 | 41.7 | 0 | 0 | 0 | 121.4 | | |
| 712 | K | 29.7 | Very low | 28.3 | Very low | 192 Ų | 192 | 143 Ų | 143 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | | | | 148.4 | 130.1 | 126.8 | -81 | 160.7 | -177.1 | -179.1 | 0 | 110.4 | | |
| 713 | H | 27.5 | Very low | 28.4 | Very low | 147 Ų | 147 | 146.7 Ų | 146.7 | 68% | 0.681 | 75% | 0.75 | S | S | * | * | | | cis | 68.2 | 119.5 | 49.2 | -154.8 | -81.8 | 0 | 0 | 0 | 109.7 | | |
| 714 | E | 29 | Very low | 28.4 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | cis | -128 | 166.7 | 41.1 | -65.6 | 161 | 122.4 | 0 | 0 | 112.4 | | |
| 715 | L | 27.8 | Very low | 28.7 | Very low | 116 Ų | 116 | 152 Ų | 152 | 61% | 0.607 | 77% | 0.765 | S | S | * | * | | | cis | 74 | 84.8 | 28.7 | -95.9 | 176 | 0 | 0 | 0 | 117.5 | | |
| 716 | K | 27.5 | Very low | 28.7 | Very low | 176 Ų | 176 | 151.8 Ų | 151.8 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | | | | 169.1 | 128.9 | 117.5 | -91.1 | 156.3 | -174.2 | 170.1 | 0 | 115.3 | | |
| 717 | S | 34.5 | Very low | 28.7 | Very low | 133 Ų | 133 | 150 Ų | 150 | 93% | 0.93 | 77% | 0.773 | S | S | * | * | | | trans | -150.8 | 75.4 | 133.1 | -85.3 | 0 | 0 | 0 | 0 | 108 | | |
| 718 | S | 29.7 | Very low | 28.9 | Very low | 83 Ų | 83 | 152.1 Ų | 152.1 | 58% | 0.58 | 78% | 0.783 | S | S | * | * | | | trans | -108.7 | 143.3 | 175.9 | -47.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 719 | N | 28.6 | Very low | 29 | Very low | 160 Ų | 160 | 155.6 Ų | 155.6 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | -174.5 | 152.1 | 139.1 | -99.2 | -21.7 | 0 | 0 | 0 | 112.7 | | |
| 720 | M | 27.6 | Very low | 29.2 | Very low | 162 Ų | 162 | 155.9 Ų | 155.9 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 64.3 | 115.6 | 173.7 | -61.7 | -162.1 | -61.1 | 0 | 0 | 117 | | |
| 721 | M | 28.7 | Very low | 29.2 | Very low | 168 Ų | 168 | 156.3 Ų | 156.3 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | | | cis | -140.1 | 133.8 | -13.7 | -72.6 | -168 | -179.5 | 0 | 0 | 109.8 | | |
| 722 | F | 25.3 | Very low | 29.6 | Very low | 211 Ų | 211 | 154.6 Ų | 154.6 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | | | trans | -129.1 | 77.9 | 175.9 | -157.1 | -82.3 | 0 | 0 | 0 | 108.8 | | |
| 723 | M | 28 | Very low | 29.4 | Very low | 167 Ų | 167 | 155.9 Ų | 155.9 | 82% | 0.823 | 80% | 0.797 | S | S | * | * | | | trans | -153.1 | 83.5 | -177.4 | -95.4 | -63.6 | -147.5 | 0 | 0 | 109.9 | | |
| 724 | N | 28.8 | Very low | 29.4 | Very low | 166 Ų | 166 | 155 Ų | 155 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -159.4 | 19.3 | 164.2 | -124.5 | 8.1 | 0 | 0 | 0 | 115.8 | | |
| 725 | H | 31.7 | Very low | 29.5 | Very low | 181 Ų | 181 | 152 Ų | 152 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -135.2 | 30.8 | 179.9 | -140.4 | -90.2 | 0 | 0 | 0 | 113.7 | | |
| 726 | V | 30.5 | Very low | 29.5 | Very low | 123 Ų | 123 | 153.6 Ų | 153.6 | 75% | 0.745 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -139.7 | 49 | 178.7 | -162.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 727 | S | 29.5 | Very low | 29.5 | Very low | 103 Ų | 103 | 150.1 Ų | 150.1 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -144.7 | -9.1 | 178.4 | -73 | 0 | 0 | 0 | 0 | 116.7 | | |
| 728 | E | 30.7 | Very low | 29.3 | Very low | 189 Ų | 189 | 150.1 Ų | 150.1 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -92.1 | -3.7 | 174.8 | -68.1 | -170 | 123.2 | 0 | 0 | 114.5 | M730 | E728-M730 VanDerWaalsContact C-N 3.26Å; E728-M730 PolarHBondContact O-N 3.26Å |
| 729 | L | 30.8 | Very low | 29.3 | Very low | 174 Ų | 174 | 152 Ų | 152 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 13.8 | 174.5 | -74.5 | 173.1 | 0 | 0 | 0 | 114.4 | | |
| 730 | M | 32.6 | Very low | 29.4 | Very low | 159 Ų | 159 | 149.6 Ų | 149.6 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.5 | 22.9 | -168.6 | -98.4 | -71.7 | -74.1 | 0 | 0 | 115.8 | E728 | E728-M730 VanDerWaalsContact C-N 3.26Å; E728-M730 PolarHBondContact O-N 3.26Å |
| 731 | N | 28 | Very low | 29.6 | Very low | 143 Ų | 143 | 148.3 Ų | 148.3 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -144.4 | 143.8 | 170.7 | -92.1 | -51.8 | 0 | 0 | 0 | 112.6 | | |
| 732 | V | 35.1 | Very low | 29.8 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | 53.6 | 79.1 | 174.5 | -160.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 733 | Y | 25.3 | Very low | 30 | Very low | 218 Ų | 218 | 139.5 Ų | 139.5 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | | | cis | 21.4 | 74.8 | 34.5 | -109.4 | -82.4 | 0 | 0 | 0 | 116.4 | | |
| 734 | N | 27 | Very low | 29.9 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | | | | 161.6 | 147.7 | 128.6 | -85.7 | -55 | 0 | 0 | 0 | 113.4 | | |
| 735 | S | 31.6 | Very low | 30 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | trans | 66.8 | 102.5 | 162.9 | -56.9 | 0 | 0 | 0 | 0 | 117.4 | | |
| 736 | N | 27.7 | Very low | 30.3 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | | | | 90 | 140.5 | 54.7 | -75.3 | -36.4 | 0 | 0 | 0 | 115 | | |
| 737 | S | 27.8 | Very low | 30.3 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | trans | 82.8 | 142.3 | 153 | -68.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 738 | I | 29.3 | Very low | 30.5 | Very low | 133 Ų | 133 | 135.7 Ų | 135.7 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | | | cis | -170.1 | 148.6 | -24.3 | -136 | 170.9 | 0 | 0 | 0 | 111.1 | | |
| 739 | N | 31 | Very low | 30.4 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 65% | 0.647 | 75% | 0.749 | S | S | * | * | | | trans | 65.5 | 156.8 | 153.2 | -68.6 | -1.9 | 0 | 0 | 0 | 120.4 | | |
| 740 | N | 31.2 | Very low | 30.5 | Very low | 111 Ų | 111 | 133 Ų | 133 | 59% | 0.594 | 74% | 0.742 | S | S | * | * | | | cis | -165.6 | 158.6 | -7.3 | -114.2 | -4.6 | 0 | 0 | 0 | 114.7 | | |
| 741 | N | 31.5 | Very low | 30.4 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | | | trans | 68.4 | 148.4 | 141.9 | -66.6 | -6.8 | 0 | 0 | 0 | 121.6 | | |
| 742 | S | 31.8 | Very low | 30.4 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | | | cis | -175.7 | 157.3 | -12.8 | 51.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 743 | S | 29 | Very low | 30.3 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | | | trans | 79.7 | 146.9 | 149.9 | -64.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 744 | I | 27.3 | Very low | 30.5 | Very low | 149 Ų | 149 | 124.8 Ų | 124.8 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | | | cis | 130.6 | 133.7 | -1.6 | -84.5 | 163.4 | 0 | 0 | 0 | 109.1 | | |
| 745 | Q | 29.6 | Very low | 30.7 | Very low | 169 Ų | 169 | 123.5 Ų | 123.5 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | | | cis | -160.2 | 171.4 | -6.6 | -99.6 | -81.5 | -75 | 0 | 0 | 109.7 | | |
| 746 | P | 38.6 | Very low | 30.5 | Very low | 103 Ų | 103 | 126 Ų | 126 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | | | trans | -105.1 | -179.5 | -171.6 | 41.8 | -36.2 | 0 | 0 | 0 | 115.6 | | |
| 747 | S | 30.1 | Very low | 30.7 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | | | trans | -167.4 | 155.3 | 159.9 | 51.4 | 0 | 0 | 0 | 0 | 117.9 | | |
| 748 | S | 33.4 | Very low | 30.7 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 87% | 0.874 | 72% | 0.722 | S | S | * | * | | | trans | 90.8 | 148.9 | 151.7 | -64.5 | 0 | 0 | 0 | 0 | 123.2 | | |
| 749 | M | 29.3 | Very low | 30.7 | Very low | 165 Ų | 165 | 124.6 Ų | 124.6 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | | | trans | -116.3 | 168.3 | -160.2 | -58.6 | 166.5 | 166.7 | 0 | 0 | 114.1 | | |
| 750 | D | 34 | Very low | 30.6 | Very low | 143 Ų | 143 | 127 Ų | 127 | 77% | 0.765 | 72% | 0.722 | S | S | * | * | | | | -175.3 | 156 | 119.8 | -93.5 | -7.5 | 0 | 0 | 0 | 109.8 | | |
| 751 | I | 29.5 | Very low | 30.4 | Very low | 132 Ų | 132 | 126 Ų | 126 | 68% | 0.677 | 72% | 0.723 | S | S | * | * | | | cis | 110.2 | 127.3 | 10.1 | -74.7 | 174.8 | 0 | 0 | 0 | 113.3 | | |
| 752 | V | 29.1 | Very low | 30.3 | Very low | 123 Ų | 123 | 125.9 Ų | 125.9 | 75% | 0.745 | 72% | 0.722 | S | S | * | * | | | cis | -166.2 | -171.1 | -16.4 | 72.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 753 | T | 31.8 | Very low | 30 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | | | trans | 98.8 | 149 | 169.9 | 68.3 | 0 | 0 | 0 | 0 | 119 | | |
| 754 | S | 29.5 | Very low | 29.8 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | | | cis | 179.1 | 168.3 | -45 | 50 | 0 | 0 | 0 | 0 | 112 | | |
| 755 | S | 32.3 | Very low | 30.3 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | | | trans | 82.5 | 151.6 | 155.9 | -58.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 756 | I | 27.9 | Very low | 30 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 80% | 0.795 | 72% | 0.72 | S | S | * | * | | | cis | 178.5 | 151.7 | -24.3 | -110.8 | 157.5 | 0 | 0 | 0 | 106.4 | | |
| 757 | V | 30.3 | Very low | 29.5 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | | | cis | -172.2 | -179.2 | -21.1 | 74.9 | 0 | 0 | 0 | 0 | 109 | | |
| 758 | N | 29.2 | Very low | 29.3 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 65% | 0.647 | 72% | 0.716 | S | S | * | * | | | trans | 74 | 155.9 | 163.6 | -89.5 | 30.1 | 0 | 0 | 0 | 119.8 | | |
| 759 | E | 28.5 | Very low | 29.1 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 57% | 0.565 | 70% | 0.703 | S | S | * | * | | | cis | -170.1 | 156.2 | -32.2 | -121.5 | -171.5 | 143.5 | 0 | 0 | 110 | | |
| 760 | K | 28.5 | Very low | 29 | Very low | 173 Ų | 173 | 131.3 Ų | 131.3 | 75% | 0.752 | 70% | 0.695 | S | S | * | * | | | trans | 37.7 | 145.5 | 142.7 | -75.5 | 170.5 | -171.7 | 155.7 | 0 | 121.3 | | |
| 761 | S | 27.4 | Very low | 28.6 | Very low | 88 Ų | 88 | 129.8 Ų | 129.8 | 62% | 0.615 | 68% | 0.682 | S | S | * | * | | | cis | 179.6 | -179.5 | 17.8 | 37.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 762 | N | 28.5 | Very low | 28.6 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | | | trans | 88.3 | 120.4 | 161.1 | -55.9 | -29.6 | 0 | 0 | 0 | 116 | | |
| 763 | L | 25.7 | Very low | 28.6 | Very low | 152 Ų | 152 | 127 Ų | 127 | 80% | 0.796 | 67% | 0.668 | S | S | * | * | | | | 74.8 | 137.7 | 68.6 | -90.9 | 80.4 | 0 | 0 | 0 | 112.3 | | |
| 764 | H | 26 | Very low | 28.6 | Very low | 138 Ų | 138 | 125.9 Ų | 125.9 | 64% | 0.639 | 66% | 0.657 | S | S | * | * | | | cis | -156.6 | 154.6 | 4.6 | -170.3 | -86.7 | 0 | 0 | 0 | 109.5 | Y766 | H764-Y766 AromaticContact CE1-CE2 3.74Š|
| 765 | P | 36.6 | Very low | 28.6 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 67% | 0.669 | 66% | 0.659 | S | S | * | * | | | trans | -84.1 | 170.8 | 176.7 | 35.2 | -39.9 | 0 | 0 | 0 | 114.3 | | |
| 766 | Y | 24.8 | Very low | 28.4 | Very low | 193 Ų | 193 | 128 Ų | 128 | 76% | 0.757 | 65% | 0.648 | S | S | * | * | | | trans | -175.4 | 161 | 141.2 | -103.7 | -61.3 | 0 | 0 | 0 | 112.7 | H764 | H764-Y766 AromaticContact CE1-CE2 3.74Š|
| 767 | D | 27.1 | Very low | 28.4 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 66% | 0.663 | 63% | 0.631 | S | S | * | * | | | trans | 64.7 | 149.7 | 150.6 | -56.5 | -12.9 | 0 | 0 | 0 | 122.9 | | |
| 768 | E | 27 | Very low | 28.3 | Very low | 154 Ų | 154 | 124.6 Ų | 124.6 | 72% | 0.72 | 63% | 0.627 | S | S | * | * | | | cis | -161.3 | 155.7 | -27.5 | -113.9 | -163.4 | 156.9 | 0 | 0 | 111.9 | | |
| 769 | H | 27.6 | Very low | 28.4 | Very low | 132 Ų | 132 | 122.4 Ų | 122.4 | 61% | 0.611 | 62% | 0.62 | S | S | * | * | | | trans | 37.1 | 140.1 | 147 | -82.8 | -80.6 | 0 | 0 | 0 | 126.1 | | |
| 770 | H | 28.2 | Very low | 28.2 | Very low | 137 Ų | 137 | 122.9 Ų | 122.9 | 63% | 0.634 | 63% | 0.626 | S | S | * | * | | | trans | 80 | 142.5 | 141.3 | -67.8 | 164.2 | 0 | 0 | 0 | 121.2 | | |
| 771 | F | 25.8 | Very low | 28.2 | Very low | 112 Ų | 112 | 122.8 Ų | 122.8 | 49% | 0.491 | 63% | 0.633 | S | S | . | * | | | cis | -167.9 | 152.6 | -27.3 | -123.3 | -160.6 | 0 | 0 | 0 | 107.9 | N564 V565 | N564-F771 HydrophobicContact CB-CD1 3.73Å; N564-F771 HydrophobicContact CB-CD2 3.95Å; N564-F771 HydrophobicContact CB-CE1 3.68Å; N564-F771 HydrophobicContact CB-CE2 3.91Å; N564-F771 HydrophobicContact CB-CG 3.89Å; N564-F771 HydrophobicContact CB-CZ 3.78Å; N564-F771 VanDerWaalsContact CG-CE2 3.44Å; N564-F771 WeakPolarHBondContact ND2-CD2 3.31Å; N564-F771 WeakPolarHBondContact ND2-CE2 3.34Å; V565-F771 HydrophobicContact CB-CE1 3.87Å; V565-F771 HydrophobicContact CB-CZ 4.33Å; V565-F771 HydrophobicContact CG1-CE1 4.24Å; V565-F771 HydrophobicContact CG2-CE1 4.45Å; V565-F771 HydrophobicContact CG2-CZ 4.43Å |
| 772 | N | 29.5 | Very low | 28.1 | Very low | 88 Ų | 88 | 124.2 Ų | 124.2 | 47% | 0.471 | 63% | 0.632 | S | S | . | * | | | trans | -101.6 | 169 | 166.5 | -31.3 | -105 | 0 | 0 | 0 | 109.4 | I562 N563 N564 | I562-N772 PolarHBondContact O-ND2 2.91Å; N563-N772 PolarHBondContact N-ND2 3.4Å; N563-N772 VanDerWaalsContact N-ND2 3.13Å; N563-N772 CarbonylContact O-C 3.58Å; N563-N772 WeakPolarHBondContact O-CB 3.34Å; N563-N772 PolarHBondContact O-N 3.23Å; N563-N772 PolarHBondContact O-ND2 3.08Å; N564-N772 WeakPolarHBondContact CB-O 3.21Å; N564-N772 PolarHBondContact N-O 2.68Å; N564-N772 VanDerWaalsContact O-O 3.1Å |
| 773 | T | 28.3 | Very low | 27.9 | Very low | 107 Ų | 107 | 126.1 Ų | 126.1 | 66% | 0.656 | 64% | 0.637 | S | S | * | * | | | trans | -138.8 | 113.8 | 152.2 | -57.5 | 0 | 0 | 0 | 0 | 109.8 | N564 | N564-T773 WeakPolarHBondContact O-CA 3.46Å; N564-T773 WeakPolarHBondContact O-CB 3.45Å; N564-T773 WeakPolarHBondContact O-CG2 3.46Å; N564-T773 PolarHBondContact O-OG1 3.13Å |
| 774 | L | 31.2 | Very low | 27.8 | Very low | 101 Ų | 101 | 124.1 Ų | 124.1 | 53% | 0.529 | 64% | 0.635 | S | S | . | * | | | trans | -80.6 | 171.2 | 165.1 | -82.7 | 150.2 | 0 | 0 | 0 | 110.1 | | |
| 775 | L | 29.5 | Very low | 27.7 | Very low | 136 Ų | 136 | 122.3 Ų | 122.3 | 71% | 0.712 | 64% | 0.638 | S | S | * | * | | | trans | 159.5 | 109.6 | 130.8 | -82.5 | 164.2 | 0 | 0 | 0 | 107.7 | | |
| 776 | H | 28.8 | Very low | 27.1 | Very low | 107 Ų | 107 | 122.5 Ų | 122.5 | 50% | 0.495 | 64% | 0.642 | S | S | . | * | | | | 78.1 | 173.7 | 81.9 | -88.7 | 166.2 | 0 | 0 | 0 | 114.1 | N1376 D1377 | H776-N1376 PolarHBondContact CD2-ND2 2.76Å; H776-N1376 PolarHBondContact CE1-ND2 2.86Å; H776-N1376 PolarHBondContact ND1-ND2 2.78Å; H776-N1376 PolarHBondContact NE2-ND2 3Å; H776-D1377 IonicContact CE1-OD1 3.22Å; H776-D1377 PolarHBondContact CE1-OD1 2.99Å; H776-D1377 VanDerWaalsContact CE1-OD1 3.22Å; H776-D1377 IonicContact NE2-OD1 3.35Å |
| 777 | I | 27.5 | Very low | 27 | Very low | 83 Ų | 83 | 118.5 Ų | 118.5 | 43% | 0.426 | 64% | 0.641 | S | S | . | * | | | trans | 75.9 | 129.8 | 173.5 | -55.7 | 113.7 | 0 | 0 | 0 | 114 | S1374 L1375 | I777-S1374 WeakPolarHBondContact CD1-OG 3.41Å; I777-L1375 HydrophobicContact CB-CD2 4.16Å; I777-L1375 HydrophobicContact CD1-CB 4.4Å; I777-L1375 HydrophobicContact CG1-CB 3.52Å; I777-L1375 HydrophobicContact CG1-CD1 4.06Å; I777-L1375 HydrophobicContact CG1-CD2 3.81Å; I777-L1375 HydrophobicContact CG1-CG 3.99Å; I777-L1375 HydrophobicContact CG2-CD1 3.81Å; I777-L1375 HydrophobicContact CG2-CD2 4.01Å; I777-L1375 HydrophobicContact CG2-CG 4.39Å |
| 778 | N | 28.8 | Very low | 26.9 | Very low | 114 Ų | 114 | 119.2 Ų | 119.2 | 61% | 0.61 | 64% | 0.644 | S | S | * | * | | | cis | -145 | 131.6 | 11.4 | -162.8 | -15 | 0 | 0 | 0 | 112.4 | L1375 | N778-L1375 HydrophobicContact CB-CD2 4.4Å; N778-L1375 WeakPolarHBondContact OD1-CD2 3.11Å |
| 779 | P | 30.4 | Very low | 26.8 | Very low | 76 Ų | 76 | 118.9 Ų | 118.9 | 49% | 0.494 | 64% | 0.641 | S | S | . | * | | | trans | -98.8 | 88.6 | 172.4 | 35.6 | -29.5 | 0 | 0 | 0 | 112.7 | | |
| 780 | N | 24.5 | Very low | 26.6 | Very low | 130 Ų | 130 | 116.9 Ų | 116.9 | 70% | 0.695 | 63% | 0.634 | S | S | * | * | | | trans | -176 | 95.2 | 158.5 | -99 | -43 | 0 | 0 | 0 | 112.6 | | |
| 781 | L | 29.5 | Very low | 26.5 | Very low | 171 Ų | 171 | 113.1 Ų | 113.1 | 90% | 0.895 | 62% | 0.624 | S | S | * | * | | | trans | -169 | 87.8 | 161.9 | -103.4 | 147.3 | 0 | 0 | 0 | 105.8 | | |
| 782 | I | 24.5 | Very low | 26.4 | Very low | 118 Ų | 118 | 114.9 Ų | 114.9 | 61% | 0.605 | 64% | 0.637 | S | S | * | * | | | | 72.5 | 105.1 | 64.2 | -56 | 176.1 | 0 | 0 | 0 | 111.9 | | |
| 783 | E | 24 | Very low | 26.2 | Very low | 172 Ų | 172 | 114.2 Ų | 114.2 | 80% | 0.804 | 64% | 0.637 | S | S | * | * | | | trans | 71.4 | 149 | 154.5 | -67.8 | 176 | 138.6 | 0 | 0 | 122.5 | | |
| 784 | S | 23.8 | Very low | 26.1 | Very low | 110 Ų | 110 | 117.1 Ų | 117.1 | 77% | 0.769 | 64% | 0.637 | S | S | * | * | | | trans | 79.2 | 151.4 | 158.1 | 78.2 | 0 | 0 | 0 | 0 | 120 | | |
| 785 | S | 25.5 | Very low | 25.8 | Very low | 100 Ų | 100 | 114.9 Ų | 114.9 | 70% | 0.699 | 63% | 0.625 | S | S | * | * | | | trans | 67.1 | 108.2 | 176.9 | -43 | 0 | 0 | 0 | 0 | 114.5 | | |
| 786 | S | 23.1 | Very low | 25.6 | Very low | 107 Ų | 107 | 115.2 Ų | 115.2 | 75% | 0.748 | 62% | 0.623 | S | S | * | * | | | cis | 57.8 | 109.3 | 17.7 | 78 | 0 | 0 | 0 | 0 | 115.6 | | |
| 787 | C | 22.7 | Very low | 25.4 | Very low | 109 Ų | 109 | 113.7 Ų | 113.7 | 74% | 0.736 | 62% | 0.618 | S | S | * | * | | | trans | 55.5 | 158.9 | -174.9 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 788 | L | 23.8 | Very low | 25.3 | Very low | 139 Ų | 139 | 114.2 Ų | 114.2 | 73% | 0.728 | 63% | 0.63 | S | S | * | * | | | cis | -153.6 | 155.2 | 36.8 | -76 | 160.8 | 0 | 0 | 0 | 112.8 | | |
| 789 | F | 25.2 | Very low | 25.2 | Very low | 148 Ų | 148 | 114.5 Ų | 114.5 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | | | trans | 61.6 | 101.8 | 141 | -81.1 | -114.5 | 0 | 0 | 0 | 122.5 | A132 | A132-F789 HydrophobicContact CB-CD1 3.71Å; A132-F789 HydrophobicContact CB-CE1 3.54Å; A132-F789 HydrophobicContact CB-CG 4.46Å; A132-F789 HydrophobicContact CB-CZ 4.16Å |
| 790 | D | 24.5 | Very low | 25 | Very low | 89 Ų | 89 | 115.9 Ų | 115.9 | 48% | 0.476 | 64% | 0.639 | S | S | . | * | | | | -18.5 | 143.3 | 116 | -99.7 | -8.3 | 0 | 0 | 0 | 117.6 | L131 A132 | L131-D790 WeakPolarHBondContact CA-OD2 3.3Å; L131-D790 HydrophobicContact CB-CB 3.94Å; L131-D790 HydrophobicContact CD2-CB 4.45Å; L131-D790 WeakPolarHBondContact CD2-OD1 3.17Å; A132-D790 HydrophobicContact CB-CB 3.98Å; A132-D790 VanDerWaalsContact N-CB 3.29Å; A132-D790 PolarHBondContact N-OD2 3.46Å |
| 791 | S | 24.9 | Very low | 25 | Very low | 59 Ų | 59 | 117.5 Ų | 117.5 | 41% | 0.413 | 64% | 0.64 | S | S | . | * | | | trans | 70.2 | 133 | 164.8 | -130.4 | 0 | 0 | 0 | 0 | 115.9 | L131 | L131-S791 WeakPolarHBondContact CD1-OG 3.26Š|
| 792 | L | 24.3 | Very low | 24.9 | Very low | 148 Ų | 148 | 115.6 Ų | 115.6 | 78% | 0.775 | 63% | 0.63 | S | S | * | * | | | cis | -158.6 | 165.4 | 46.6 | -80.6 | 163.1 | 0 | 0 | 0 | 112.3 | | |
| 793 | V | 25.8 | Very low | 25 | Very low | 75 Ų | 75 | 114.2 Ų | 114.2 | 46% | 0.455 | 62% | 0.623 | S | S | . | * | | | trans | 26.4 | 112.3 | 134.5 | -173 | 0 | 0 | 0 | 0 | 116.7 | | |
| 794 | Y | 25.1 | Very low | 25.3 | Very low | 168 Ų | 168 | 110.5 Ų | 110.5 | 66% | 0.659 | 61% | 0.606 | S | S | * | * | | | | 54.8 | 168.2 | 74.9 | -74.3 | -88.9 | 0 | 0 | 0 | 114 | N1409 E1410 S1411 | Y794-N1409 CarbonylContact C-O 3.45Å; Y794-N1409 VanDerWaalsContact O-O 3.05Å; Y794-E1410 WeakPolarHBondContact CB-O 3.26Å; Y794-S1411 WeakPolarHBondContact CB-O 3.35Å; Y794-S1411 WeakPolarHBondContact CD1-O 3.31Å |
| 795 | N | 25.9 | Very low | 25.4 | Very low | 53 Ų | 53 | 109 Ų | 109 | 28% | 0.283 | 59% | 0.589 | S | S | . | * | | | cis | -146.4 | 179 | -6.4 | -167.3 | 21.6 | 0 | 0 | 0 | 109 | N1409 E1410 S1411 | N795-N1409 PolarHBondContact N-O 2.66Å; N795-E1410 HydrophobicContact CB-CB 3.5Å; N795-S1411 WeakPolarHBondContact CB-O 3.18Å; N795-S1411 PolarHBondContact ND2-O 3.44Å; N795-S1411 PolarHBondContact OD1-O 2.99Å |
| 796 | Q | 25.9 | Very low | 25.6 | Very low | 143 Ų | 143 | 108.4 Ų | 108.4 | 67% | 0.668 | 58% | 0.578 | S | S | * | * | | | | -168.5 | 153.1 | 107 | -107.6 | -177.3 | -8.2 | 0 | 0 | 115.1 | E1410 | Q796-E1410 WeakPolarHBondContact CG-OE2 3.33Å; Q796-E1410 PolarHBondContact NE2-OE2 2.85Å |
| 797 | N | 24.5 | Very low | 25.9 | Very low | 75 Ų | 75 | 109.1 Ų | 109.1 | 40% | 0.401 | 57% | 0.573 | S | S | . | * | | | trans | -52.7 | 152.1 | 176.1 | -43.8 | -60.2 | 0 | 0 | 0 | 111 | E1410 | N797-E1410 PolarHBondContact ND2-OE1 3.37Š|
| 798 | S | 25.6 | Very low | 26.1 | Very low | 95 Ų | 95 | 111 Ų | 111 | 66% | 0.664 | 58% | 0.577 | S | S | * | * | | | | -175 | 138.5 | 74.9 | -69.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 799 | T | 25.8 | Very low | 26.3 | Very low | 120 Ų | 120 | 109.7 Ų | 109.7 | 74% | 0.736 | 57% | 0.574 | S | S | * | * | | | trans | 58.5 | 156.7 | 138.2 | 77.4 | 0 | 0 | 0 | 0 | 118.8 | | |
| 800 | D | 25.1 | Very low | 26.4 | Very low | 105 Ų | 105 | 108.4 Ų | 108.4 | 56% | 0.561 | 58% | 0.578 | S | S | * | * | | | cis | -153.6 | 160 | 29.3 | -120.6 | -42.8 | 0 | 0 | 0 | 117.8 | | |
| 801 | F | 25.7 | Very low | 26.5 | Very low | 163 Ų | 163 | 108.9 Ų | 108.9 | 72% | 0.715 | 59% | 0.587 | S | S | * | * | | | trans | 56.2 | 118.9 | 148.6 | -66.6 | -43.3 | 0 | 0 | 0 | 125.1 | | |
| 802 | I | 26.2 | Very low | 26.6 | Very low | 132 Ų | 132 | 113.7 Ų | 113.7 | 68% | 0.677 | 60% | 0.603 | S | S | * | * | | | | 85.9 | 104.7 | 121.6 | -72.6 | 170.6 | 0 | 0 | 0 | 117.6 | | |
| 803 | N | 27.5 | Very low | 26.6 | Very low | 88 Ų | 88 | 115.1 Ų | 115.1 | 47% | 0.471 | 61% | 0.608 | S | S | . | * | | | | 91.7 | 140.4 | 80.3 | -123.4 | -5.9 | 0 | 0 | 0 | 110.8 | | |
| 804 | H | 30.1 | Very low | 26.7 | Very low | 94 Ų | 94 | 118.9 Ų | 118.9 | 44% | 0.435 | 63% | 0.625 | S | S | . | * | | | cis | -156.2 | 148.2 | 25.3 | -114.4 | -57.1 | 0 | 0 | 0 | 109.3 | L887 | H804-L887 HydrophobicContact CB-CD1 3.27Å; H804-L887 HydrophobicContact CB-CD2 3.59Å; H804-L887 HydrophobicContact CB-CG 3.74Å; H804-L887 WeakPolarHBondContact O-CD1 3.32Å |
| 805 | N | 27.1 | Very low | 26.7 | Very low | 78 Ų | 78 | 116.1 Ų | 116.1 | 42% | 0.417 | 63% | 0.63 | S | S | . | * | | | | 34.7 | 149.2 | 120.1 | -61.7 | 4.5 | 0 | 0 | 0 | 122.4 | S888 | N805-S888 PolarHBondContact O-OG 3.41Š|
| 806 | N | 28.3 | Very low | 26.7 | Very low | 88 Ų | 88 | 121.9 Ų | 121.9 | 47% | 0.471 | 66% | 0.659 | S | S | . | * | | | cis | -166.3 | 151.1 | -20.3 | -110.1 | -14.8 | 0 | 0 | 0 | 110.8 | S889 | N806-S889 PolarHBondContact O-OG 2.9Š|
| 807 | N | 29 | Very low | 26.6 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 65% | 0.652 | 66% | 0.664 | S | S | * | * | | | trans | 24.8 | 137.4 | 134.6 | -47.9 | -18.4 | 0 | 0 | 0 | 120.2 | | |
| 808 | N | 28.4 | Very low | 26.6 | Very low | 150 Ų | 150 | 125.1 Ų | 125.1 | 80% | 0.802 | 68% | 0.684 | S | S | * | * | | | | -177.3 | 145.4 | 116.9 | -96.1 | -0.5 | 0 | 0 | 0 | 111.5 | | |
| 809 | V | 28.4 | Very low | 26.6 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 67% | 0.673 | 69% | 0.685 | S | S | * | * | | | cis | -166.3 | 136.1 | -14 | 87 | 0 | 0 | 0 | 0 | 110.6 | | |
| 810 | V | 27 | Very low | 26.7 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 73% | 0.733 | 68% | 0.679 | S | S | * | * | | | trans | 60.1 | 157.6 | 144.8 | 169.4 | 0 | 0 | 0 | 0 | 117.1 | | |
| 811 | C | 25.7 | Very low | 26.9 | Very low | 99 Ų | 99 | 125.4 Ų | 125.4 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | | | cis | -140.6 | 174.3 | 15.3 | 7.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 812 | H | 26.3 | Very low | 26.9 | Very low | 160 Ų | 160 | 126.8 Ų | 126.8 | 74% | 0.741 | 69% | 0.693 | S | S | * | * | S | Bend | cis | -144.8 | 136.1 | 1.7 | -103.4 | -65.7 | 0 | 0 | 0 | 109.1 | | |
| 813 | M | 25 | Very low | 26.9 | Very low | 178 Ų | 178 | 126.4 Ų | 126.4 | 88% | 0.877 | 69% | 0.691 | S | S | * | * | | | trans | 174.4 | 111.4 | 132 | -95.4 | -56.8 | 175.2 | 0 | 0 | 107 | | |
| 814 | N | 27.6 | Very low | 26.8 | Very low | 153 Ų | 153 | 127.4 Ų | 127.4 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | | | trans | -93.4 | 130 | -172.7 | -71.1 | -9.9 | 0 | 0 | 0 | 111 | | |
| 815 | S | 25.9 | Very low | 26.7 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | | | trans | -91.6 | 161.2 | 170.4 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 816 | I | 25 | Very low | 26.8 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 89% | 0.892 | 72% | 0.716 | S | S | * | * | | | trans | 76.4 | 79.2 | 164.6 | -45.3 | 177.9 | 0 | 0 | 0 | 116.3 | | |
| 817 | S | 23.7 | Very low | 26.9 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | | | trans | -154.3 | 136.8 | 141.7 | 56.8 | 0 | 0 | 0 | 0 | 104.6 | | |
| 818 | E | 25.4 | Very low | 26.8 | Very low | 175 Ų | 175 | 129.8 Ų | 129.8 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | | | cis | -142.9 | 133 | 28.4 | -75.4 | 178.4 | 127.1 | 0 | 0 | 109.5 | | |
| 819 | S | 26.3 | Very low | 26.8 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 67% | 0.671 | 70% | 0.704 | S | S | * | * | | | | 59.4 | 118.9 | 99.1 | 89.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 820 | T | 26.5 | Very low | 26.7 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 63% | 0.626 | 71% | 0.705 | S | S | * | * | | | trans | -2 | 136.7 | 138 | 52.8 | 0 | 0 | 0 | 0 | 117 | R822 | T820-R822 HydrophobicContact CG2-CB 3.84Å; T820-R822 HydrophobicContact CG2-CG 4.33Å |
| 821 | P | 30.7 | Very low | 26.7 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 84% | 0.838 | 70% | 0.7 | S | S | * | * | | | | -101.6 | 139.9 | 54.8 | 31.6 | -34.5 | 0 | 0 | 0 | 113.9 | | |
| 822 | R | 24.6 | Very low | 26.8 | Very low | 191 Ų | 191 | 127.9 Ų | 127.9 | 72% | 0.721 | 71% | 0.707 | S | S | * | * | | | cis | 70.6 | 121.3 | 22 | -153.8 | -148.6 | 178.9 | -176.3 | -0.7 | 113.6 | T820 | T820-R822 HydrophobicContact CG2-CB 3.84Å; T820-R822 HydrophobicContact CG2-CG 4.33Å |
| 823 | L | 25.9 | Very low | 26.8 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 65% | 0.649 | 71% | 0.714 | S | S | * | * | | | trans | 73.3 | 140.6 | 171.9 | -41.2 | -178.9 | 0 | 0 | 0 | 113.8 | | |
| 824 | N | 26.8 | Very low | 26.9 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 59% | 0.588 | 71% | 0.71 | S | S | * | * | | | cis | -159.3 | 168.3 | -6.7 | -119.4 | 20 | 0 | 0 | 0 | 110.8 | | |
| 825 | D | 28.1 | Very low | 27 | Very low | 106 Ų | 106 | 124.6 Ų | 124.6 | 57% | 0.567 | 71% | 0.71 | S | S | * | * | | | trans | 47 | 138.4 | 133.2 | -53.3 | -3.4 | 0 | 0 | 0 | 120.2 | | |
| 826 | H | 29.1 | Very low | 27.1 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 68% | 0.676 | 71% | 0.714 | S | S | * | * | | | cis | -178.9 | 172.7 | -0.5 | -112.9 | -23.3 | 0 | 0 | 0 | 109.5 | | |
| 827 | I | 29.8 | Very low | 27.4 | Very low | 116 Ų | 116 | 123.7 Ų | 123.7 | 60% | 0.595 | 70% | 0.702 | S | S | * | * | | | trans | 64.1 | 89.3 | 140.8 | -67.6 | 164.1 | 0 | 0 | 0 | 117.4 | | |
| 828 | S | 26.7 | Very low | 27.6 | Very low | 64 Ų | 64 | 125.5 Ų | 125.5 | 45% | 0.448 | 70% | 0.701 | S | S | . | * | | | | 91 | 136.7 | 107.2 | -69.8 | 0 | 0 | 0 | 0 | 122.9 | H117 D118 | H117-S828 CarbonylContact C-O 3.6Å; D118-S828 PolarHBondContact N-O 3.47Å |
| 829 | V | 27.5 | Very low | 27.9 | Very low | 104 Ų | 104 | 124.2 Ų | 124.2 | 63% | 0.63 | 70% | 0.698 | S | S | * | * | | | | 7.6 | 149.2 | 128.2 | -68.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 830 | D | 26.2 | Very low | 28.2 | Very low | 133 Ų | 133 | 124.2 Ų | 124.2 | 71% | 0.711 | 70% | 0.698 | S | S | * | * | | | cis | -157.8 | 160.5 | 40 | -140.4 | -16.1 | 0 | 0 | 0 | 118.6 | | |
| 831 | S | 28.2 | Very low | 28.7 | Very low | 90 Ų | 90 | 124.5 Ų | 124.5 | 63% | 0.629 | 71% | 0.705 | S | S | * | * | | | trans | 15 | 139.3 | 147.6 | -65 | 0 | 0 | 0 | 0 | 123.8 | | |
| 832 | S | 27.5 | Very low | 29.1 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 80% | 0.797 | 70% | 0.699 | S | S | * | * | | | trans | 61.5 | 112.1 | 135.7 | 67.2 | 0 | 0 | 0 | 0 | 120.3 | | |
| 833 | I | 25.7 | Very low | 29.7 | Very low | 176 Ų | 176 | 119.9 Ų | 119.9 | 90% | 0.903 | 70% | 0.702 | S | S | * | * | | | trans | -100.3 | 109.4 | 160.2 | -61 | 174 | 0 | 0 | 0 | 109.7 | | |
| 834 | S | 28.7 | Very low | 30.4 | Very low | 114 Ų | 114 | 118.7 Ų | 118.7 | 80% | 0.797 | 70% | 0.704 | S | S | * | * | | | | 178.1 | 112.3 | 129.6 | 55.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 835 | T | 28 | Very low | 30.9 | Very low | 131 Ų | 131 | 118.8 Ų | 118.8 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | | | trans | -95.9 | 144.7 | -173.7 | -48.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 836 | I | 28.3 | Very low | 31.2 | Very low | 166 Ų | 166 | 118.6 Ų | 118.6 | 85% | 0.851 | 72% | 0.72 | S | S | * | * | | | trans | -125.7 | 140 | 158.4 | -67.9 | -176.4 | 0 | 0 | 0 | 106.9 | | |
| 837 | P | 30.8 | Very low | 31.5 | Very low | 99 Ų | 99 | 116.3 Ų | 116.3 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | | | trans | -110.3 | -178.3 | -135.9 | 41.3 | -37.5 | 0 | 0 | 0 | 115.3 | | |
| 838 | I | 29.8 | Very low | 31.6 | Very low | 150 Ų | 150 | 115.7 Ų | 115.7 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | | | trans | -174.6 | 113.7 | 130.9 | -96.1 | 153.5 | 0 | 0 | 0 | 114.6 | | |
| 839 | I | 30.2 | Very low | 31.9 | Very low | 147 Ų | 147 | 118 Ų | 118 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | | | trans | 69.4 | 126.8 | 138.2 | -55.8 | 178.1 | 0 | 0 | 0 | 123.8 | | |
| 840 | S | 32.4 | Very low | 32.2 | Very low | 96 Ų | 96 | 121.6 Ų | 121.6 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | | | trans | 84.1 | 87.9 | 149.2 | 62.1 | 0 | 0 | 0 | 0 | 125.6 | | |
| 841 | S | 37.8 | Very low | 32.4 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | | 47.6 | 158.9 | 109.7 | 65.7 | 0 | 0 | 0 | 0 | 124.4 | | |
| 842 | P | 38.8 | Very low | 32.5 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | cis | -145.4 | -174.4 | -34.4 | 41.5 | -22.7 | 0 | 0 | 0 | 116.8 | | |
| 843 | S | 38.1 | Very low | 32.9 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | 75.4 | 147.2 | 158.6 | 69.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 844 | S | 39 | Very low | 33.2 | Very low | 100 Ų | 100 | 124.8 Ų | 124.8 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | | | cis | -175.6 | 142.2 | -14 | 50.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 845 | S | 37.7 | Very low | 33.6 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | trans | 58.6 | 152 | 154.9 | 54.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 846 | S | 35.7 | Very low | 33.8 | Very low | 102 Ų | 102 | 125.8 Ų | 125.8 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | | | cis | -173.4 | 163.3 | -18.8 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 847 | S | 35 | Very low | 34 | Very low | 98 Ų | 98 | 124.5 Ų | 124.5 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | | | trans | 66 | 103.7 | 147.5 | 59.4 | 0 | 0 | 0 | 0 | 124.5 | | |
| 848 | S | 31.9 | Very low | 33.9 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | | 56 | 115 | 123.7 | 66.3 | 0 | 0 | 0 | 0 | 125 | | |
| 849 | S | 32.8 | Very low | 33.9 | Very low | 111 Ų | 111 | 125 Ų | 125 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | | | trans | 36.3 | 132.6 | 131.3 | 65.3 | 0 | 0 | 0 | 0 | 123.6 | | |
| 850 | L | 32.9 | Very low | 34 | Very low | 180 Ų | 180 | 125.7 Ų | 125.7 | 94% | 0.942 | 75% | 0.752 | S | S | * | * | | | trans | -162.4 | 179.5 | 142.7 | -114.3 | 172.2 | 0 | 0 | 0 | 113.9 | | |
| 851 | F | 30.8 | Very low | 34 | Very low | 178 Ų | 178 | 126.8 Ų | 126.8 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | | | trans | -106.6 | 174 | -158.8 | -136.1 | -101.8 | 0 | 0 | 0 | 115 | | |
| 852 | N | 31.6 | Very low | 33.5 | Very low | 153 Ų | 153 | 125.9 Ų | 125.9 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | 92 | 146.4 | 162.6 | -51 | -67.6 | 0 | 0 | 0 | 119.9 | | |
| 853 | G | 34.2 | Very low | 33 | Very low | 83 Ų | 83 | 127.8 Ų | 127.8 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | | | trans | 159.1 | 59.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 854 | M | 32.4 | Very low | 32.6 | Very low | 166 Ų | 166 | 127.5 Ų | 127.5 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | trans | -86.5 | 139.4 | 177.7 | 176.9 | -172.8 | 75.4 | 0 | 0 | 112.8 | | |
| 855 | L | 36.6 | Very low | 32.1 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 64% | 0.639 | 75% | 0.75 | S | S | * | * | | | trans | 178.5 | 126.7 | 135.9 | -119.3 | 74.5 | 0 | 0 | 0 | 115.5 | | |
| 856 | Q | 33.1 | Very low | 31.8 | Very low | 144 Ų | 144 | 129.5 Ų | 129.5 | 67% | 0.673 | 75% | 0.753 | S | S | * | * | | | | 58.9 | 153.7 | 125.9 | -72.3 | 179.6 | 30.8 | 0 | 0 | 122 | | |
| 857 | Q | 31.4 | Very low | 31.5 | Very low | 140 Ų | 140 | 127 Ų | 127 | 65% | 0.654 | 74% | 0.736 | S | S | * | * | | | cis | -163.7 | 150.3 | 7.3 | -125.3 | -175.4 | 15.5 | 0 | 0 | 112.2 | | |
| 858 | L | 29.1 | Very low | 31.2 | Very low | 138 Ų | 138 | 126.2 Ų | 126.2 | 72% | 0.723 | 73% | 0.731 | S | S | * | * | | | trans | 60.9 | 153.6 | 150.1 | -52.7 | 171.1 | 0 | 0 | 0 | 120 | | |
| 859 | T | 29.6 | Very low | 31.1 | Very low | 122 Ų | 122 | 125.8 Ų | 125.8 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | | | cis | -163 | 154.8 | -16.4 | 18.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 860 | L | 33 | Very low | 31 | Very low | 161 Ų | 161 | 124.7 Ų | 124.7 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | | | trans | -84.6 | 166.8 | 166.8 | -61.6 | 80.4 | 0 | 0 | 0 | 111.3 | | |
| 861 | P | 32.4 | Very low | 30.9 | Very low | 119 Ų | 119 | 121 Ų | 121 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | | | | -156.4 | 140 | 94.8 | 39.1 | -19.2 | 0 | 0 | 0 | 119.4 | | |
| 862 | S | 28.4 | Very low | 30.8 | Very low | 88 Ų | 88 | 119 Ų | 119 | 62% | 0.615 | 70% | 0.696 | S | S | * | * | | | trans | 33.9 | 136.4 | 136.5 | 69.6 | 0 | 0 | 0 | 0 | 126.1 | | |
| 863 | N | 27.6 | Very low | 30.7 | Very low | 153 Ų | 153 | 116.9 Ų | 116.9 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | | | trans | 67.4 | 164.4 | 133.7 | -61.9 | 3.6 | 0 | 0 | 0 | 119.2 | | |
| 864 | S | 29.1 | Very low | 30.4 | Very low | 104 Ų | 104 | 120.9 Ų | 120.9 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | | | cis | 178.3 | 161.7 | -20.5 | 54.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 865 | S | 29.6 | Very low | 30.3 | Very low | 93 Ų | 93 | 117 Ų | 117 | 65% | 0.65 | 68% | 0.679 | S | S | * | * | | | cis | 178.9 | 166 | -20.8 | 58.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 866 | L | 29.9 | Very low | 30 | Very low | 160 Ų | 160 | 117.1 Ų | 117.1 | 84% | 0.838 | 69% | 0.686 | S | S | * | * | | | trans | 68.1 | 161.6 | 166.3 | -62.8 | 164.5 | 0 | 0 | 0 | 116.6 | | |
| 867 | S | 30 | Very low | 29.9 | Very low | 51 Ų | 51 | 115 Ų | 115 | 36% | 0.357 | 69% | 0.687 | S | S | . | * | | | cis | -163.4 | -157.3 | -22 | 54.1 | 0 | 0 | 0 | 0 | 113.6 | T1530 | S867-T1530 WeakPolarHBondContact OG-CA 3.16Å; S867-T1530 PolarHBondContact OG-N 2.79Å |
| 868 | S | 30.1 | Very low | 29.8 | Very low | 81 Ų | 81 | 114.4 Ų | 114.4 | 57% | 0.566 | 69% | 0.693 | S | S | * | * | | | trans | -88.7 | -148.5 | -146.4 | 51.8 | 0 | 0 | 0 | 0 | 120.4 | T1530 T1531 | S868-T1530 WeakPolarHBondContact O-CB 3.37Å; S868-T1530 WeakPolarHBondContact O-CG2 3.43Å; S868-T1530 WeakPolarHBondContact OG-CG2 3.37Å; S868-T1531 WeakPolarHBondContact O-CG2 3.27Å |
| 869 | I | 28.5 | Very low | 29.8 | Very low | 94 Ų | 94 | 113.1 Ų | 113.1 | 48% | 0.482 | 69% | 0.691 | S | S | . | * | | | trans | 79.9 | 144.5 | 169.1 | -73.6 | 177.7 | 0 | 0 | 0 | 118.7 | T1530 T1531 | I869-T1530 HydrophobicContact CB-CG2 3.96Å; I869-T1530 HydrophobicContact CD1-CG2 3.67Å; I869-T1530 HydrophobicContact CG1-CG2 3.81Å; I869-T1531 HydrophobicContact CB-CG2 4.09Å; I869-T1531 HydrophobicContact CG2-CG2 4.04Å |
| 870 | S | 31.1 | Very low | 29.8 | Very low | 89 Ų | 89 | 114.1 Ų | 114.1 | 62% | 0.622 | 69% | 0.692 | S | S | * | * | | | cis | -171.8 | -175.7 | -28.8 | 72.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 871 | S | 30.7 | Very low | 29.6 | Very low | 101 Ų | 101 | 112.2 Ų | 112.2 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | | | trans | 79.7 | 152.2 | 153.5 | -60.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 872 | I | 28.3 | Very low | 29.6 | Very low | 136 Ų | 136 | 111.4 Ų | 111.4 | 70% | 0.697 | 68% | 0.684 | S | S | * | * | | | cis | -164.5 | 139.6 | -9.3 | -117.8 | 169.1 | 0 | 0 | 0 | 113.8 | | |
| 873 | T | 29 | Very low | 29.6 | Very low | 110 Ų | 110 | 111.9 Ų | 111.9 | 68% | 0.675 | 69% | 0.687 | S | S | * | * | | | trans | 60.5 | 171.1 | 157.3 | 66.9 | 0 | 0 | 0 | 0 | 120.8 | | |
| 874 | H | 29.6 | Very low | 29.5 | Very low | 167 Ų | 167 | 110.2 Ų | 110.2 | 77% | 0.773 | 69% | 0.686 | S | S | * | * | | | cis | -154.6 | 151 | 8.8 | -120.3 | -55.2 | 0 | 0 | 0 | 112.4 | | |
| 875 | A | 29.9 | Very low | 29.3 | Very low | 83 Ų | 83 | 114.4 Ų | 114.4 | 69% | 0.686 | 69% | 0.691 | S | S | * | * | | | trans | 64.5 | 151.8 | 151 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 876 | T | 29.9 | Very low | 29.1 | Very low | 126 Ų | 126 | 116 Ų | 116 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | | | cis | -164 | 147.3 | -16.5 | 21.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 877 | S | 29.9 | Very low | 28.9 | Very low | 100 Ų | 100 | 113.2 Ų | 113.2 | 70% | 0.699 | 68% | 0.677 | S | S | * | * | | | trans | 39 | 130 | 154 | 59.3 | 0 | 0 | 0 | 0 | 121.6 | | |
| 878 | T | 29.9 | Very low | 28.7 | Very low | 127 Ų | 127 | 113.7 Ų | 113.7 | 78% | 0.779 | 68% | 0.68 | S | S | * | * | | | cis | -157.5 | -140.8 | -3.6 | 25 | 0 | 0 | 0 | 0 | 106.8 | | |
| 879 | T | 30.5 | Very low | 28.6 | Very low | 111 Ų | 111 | 113.6 Ų | 113.6 | 68% | 0.681 | 68% | 0.679 | S | S | * | * | | | cis | -164.5 | 146.9 | 7 | -26.3 | 0 | 0 | 0 | 0 | 112 | | |
| 880 | N | 28.9 | Very low | 28.5 | Very low | 143 Ų | 143 | 117.5 Ų | 117.5 | 77% | 0.765 | 70% | 0.7 | S | S | * | * | | | trans | 50.3 | 114.2 | 157.3 | -73.5 | 8.7 | 0 | 0 | 0 | 123.4 | | |
| 881 | V | 29.2 | Very low | 28.2 | Very low | 121 Ų | 121 | 116.1 Ų | 116.1 | 73% | 0.733 | 70% | 0.7 | S | S | * | * | | | trans | 67.5 | 98.2 | 136 | -173.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 882 | S | 31.4 | Very low | 28 | Very low | 102 Ų | 102 | 120.5 Ų | 120.5 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | | | | 89.2 | 141.2 | 52.5 | -71.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 883 | S | 29.2 | Very low | 27.9 | Very low | 98 Ų | 98 | 124.6 Ų | 124.6 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | | | cis | -171.2 | 161 | -8.6 | -93.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 884 | C | 24.8 | Very low | 28 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | | | cis | -161.8 | 124.9 | -23 | -103.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 885 | K | 25.3 | Very low | 27.9 | Very low | 192 Ų | 192 | 124.4 Ų | 124.4 | 84% | 0.835 | 72% | 0.715 | S | S | * | * | | | trans | -108.3 | 144.2 | 158.4 | -78.1 | -175.9 | 176.9 | 179.6 | 0 | 107.4 | | |
| 886 | L | 25.4 | Very low | 27.7 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 67% | 0.665 | 71% | 0.712 | S | S | * | * | | | trans | 60.9 | 117 | 161.9 | -63.1 | 167 | 0 | 0 | 0 | 114.3 | | |
| 887 | L | 25.4 | Very low | 27.6 | Very low | 101 Ų | 101 | 127 Ų | 127 | 53% | 0.529 | 71% | 0.711 | S | S | . | * | | | | 178.8 | 159.9 | 61 | -147.1 | 68.6 | 0 | 0 | 0 | 115.9 | H804 | H804-L887 HydrophobicContact CB-CD1 3.27Å; H804-L887 HydrophobicContact CB-CD2 3.59Å; H804-L887 HydrophobicContact CB-CG 3.74Å; H804-L887 WeakPolarHBondContact O-CD1 3.32Å |
| 888 | S | 26.9 | Very low | 27.5 | Very low | 60 Ų | 60 | 126.7 Ų | 126.7 | 42% | 0.42 | 71% | 0.709 | S | S | . | * | | | trans | 30.9 | 113.7 | 148.6 | -80.9 | 0 | 0 | 0 | 0 | 121.6 | N805 | N805-S888 PolarHBondContact O-OG 3.41Š|
| 889 | S | 27.8 | Very low | 27.5 | Very low | 79 Ų | 79 | 124.8 Ų | 124.8 | 55% | 0.552 | 70% | 0.701 | S | S | * | * | | | | 44.7 | 113.4 | 123.2 | -46.4 | 0 | 0 | 0 | 0 | 121.4 | N806 | N806-S889 PolarHBondContact O-OG 2.9Š|
| 890 | I | 25.2 | Very low | 27.5 | Very low | 177 Ų | 177 | 125.5 Ų | 125.5 | 91% | 0.908 | 70% | 0.7 | S | S | * | * | | | | -174.4 | 135.4 | 121.7 | -98.6 | 155.8 | 0 | 0 | 0 | 111.8 | | |
| 891 | G | 25.3 | Very low | 27.6 | Very low | 60 Ų | 60 | 126 Ų | 126 | 62% | 0.619 | 70% | 0.698 | S | S | * | * | | | trans | 100.8 | 103.1 | 132.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 892 | K | 27.2 | Very low | 27.5 | Very low | 193 Ų | 193 | 129.8 Ų | 129.8 | 84% | 0.839 | 71% | 0.705 | S | S | * | * | | | trans | 77.1 | 128.6 | 132.7 | -60.4 | -179.5 | -178.5 | -179.2 | 0 | 121.1 | | |
| 893 | Y | 25.1 | Very low | 27.4 | Very low | 221 Ų | 221 | 130.3 Ų | 130.3 | 87% | 0.867 | 70% | 0.699 | S | S | * | * | | | trans | 66 | 105.6 | 139.5 | -83.5 | -106.6 | 0 | 0 | 0 | 120.2 | | |
| 894 | Q | 30.6 | Very low | 27.3 | Very low | 167 Ų | 167 | 132.3 Ų | 132.3 | 78% | 0.78 | 70% | 0.702 | S | S | * | * | | | trans | -12 | 153 | 138.8 | -116.2 | -171.8 | 4.1 | 0 | 0 | 117.8 | | |
| 895 | P | 28.4 | Very low | 27.4 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 69% | 0.688 | 70% | 0.702 | S | S | * | * | | | | -145.3 | 156 | 74.1 | 40.2 | -24 | 0 | 0 | 0 | 118.4 | | |
| 896 | N | 25.3 | Very low | 27.5 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 62% | 0.615 | 69% | 0.694 | S | S | * | * | | | trans | 69.6 | 119.3 | 139.1 | -67.8 | 5.2 | 0 | 0 | 0 | 120.5 | | |
| 897 | I | 28.1 | Very low | 27.5 | Very low | 149 Ų | 149 | 133.4 Ų | 133.4 | 76% | 0.764 | 70% | 0.704 | S | S | * | * | | | | 77.1 | 133.1 | 90.2 | -69.3 | 166.8 | 0 | 0 | 0 | 111.7 | | |
| 898 | S | 28.2 | Very low | 27.6 | Very low | 94 Ų | 94 | 134 Ų | 134 | 66% | 0.657 | 72% | 0.717 | S | S | * | * | | | cis | -144.4 | 143.7 | 13.4 | -140 | 0 | 0 | 0 | 0 | 109.5 | | |
| 899 | S | 28.9 | Very low | 27.5 | Very low | 86 Ų | 86 | 135.9 Ų | 135.9 | 60% | 0.601 | 73% | 0.729 | S | S | * | * | | | | 71.3 | 152.2 | 99.9 | 84.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 900 | D | 30.3 | Very low | 27.4 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 67% | 0.674 | 73% | 0.732 | S | S | * | * | | | cis | -137.1 | 165.9 | 16.5 | -78.1 | -76 | 0 | 0 | 0 | 113.5 | | |
| 901 | E | 32.2 | Very low | 27.8 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | | | trans | 44.3 | 117 | 146.9 | -67.8 | 178.7 | 139.9 | 0 | 0 | 119.3 | | |
| 902 | F | 26.5 | Very low | 28.1 | Very low | 201 Ų | 201 | 137.2 Ų | 137.2 | 88% | 0.882 | 74% | 0.741 | S | S | * | * | | | | 49.9 | 143.7 | 51.3 | -89 | -98.5 | 0 | 0 | 0 | 112.8 | | |
| 903 | I | 29.1 | Very low | 28.2 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 58% | 0.579 | 74% | 0.738 | S | S | * | * | | | | 179.9 | 140.1 | 80.5 | -87.3 | -173.5 | 0 | 0 | 0 | 107.7 | | |
| 904 | N | 27.7 | Very low | 28.5 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | | | trans | 64.4 | 148.3 | 158 | -69.4 | 2.5 | 0 | 0 | 0 | 120 | | |
| 905 | M | 27.7 | Very low | 28.3 | Very low | 164 Ų | 164 | 125.7 Ų | 125.7 | 81% | 0.808 | 73% | 0.731 | S | S | * | * | | | cis | -133.5 | 141.9 | -8.6 | -55 | -179.4 | -88.5 | 0 | 0 | 106.9 | | |
| 906 | T | 25.7 | Very low | 28.2 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | | | | 55.2 | 113.6 | 52.5 | 61.5 | 0 | 0 | 0 | 0 | 115.9 | | |
| 907 | E | 25.8 | Very low | 28.3 | Very low | 188 Ų | 188 | 128.1 Ų | 128.1 | 88% | 0.879 | 74% | 0.744 | S | S | * | * | | | trans | 53.2 | 118.8 | 152.5 | -58.1 | -178.7 | 117.2 | 0 | 0 | 120.2 | | |
| 908 | S | 27.6 | Very low | 28.2 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | | | | 176.8 | 163 | 109.7 | 45.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 909 | C | 24.6 | Very low | 28.2 | Very low | 99 Ų | 99 | 127.3 Ų | 127.3 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | | | trans | 26.2 | 124.7 | 150.5 | -65.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 910 | S | 26.8 | Very low | 28.4 | Very low | 89 Ų | 89 | 132.5 Ų | 132.5 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | | | | 123.7 | 147.2 | 51.1 | -82.9 | 0 | 0 | 0 | 0 | 106.4 | | |
| 911 | P | 33.8 | Very low | 28.3 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | | | trans | -87 | 141.4 | -174.6 | 34 | -34.4 | 0 | 0 | 0 | 113.4 | | |
| 912 | S | 30.1 | Very low | 28.2 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 91% | 0.909 | 76% | 0.756 | S | S | * | * | | | trans | -158.7 | 165.6 | 162.5 | -84.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 913 | S | 30.2 | Very low | 28.3 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | | | trans | -87.3 | 179.8 | -162.6 | 56.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 914 | S | 31.1 | Very low | 28.4 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | trans | 91.8 | 82.1 | 153 | -50 | 0 | 0 | 0 | 0 | 119.4 | | |
| 915 | T | 27.5 | Very low | 28.4 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | trans | 28.3 | 104.1 | 133.7 | 53.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 916 | C | 25.4 | Very low | 28.5 | Very low | 123 Ų | 123 | 132 Ų | 132 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | | | trans | -143.5 | 119.3 | 137.2 | -86.8 | 0 | 0 | 0 | 0 | 106.6 | | |
| 917 | I | 27.1 | Very low | 29 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | | | | 73.8 | 86 | 67.4 | -61.1 | 180 | 0 | 0 | 0 | 113.1 | | |
| 918 | L | 26.5 | Very low | 29 | Very low | 157 Ų | 157 | 131 Ų | 131 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | | 75.6 | 141.2 | 122.1 | -150.5 | 79.6 | 0 | 0 | 0 | 122.2 | | |
| 919 | S | 27.4 | Very low | 29 | Very low | 70 Ų | 70 | 131.1 Ų | 131.1 | 49% | 0.49 | 77% | 0.767 | S | S | . | * | | | trans | 92.6 | 98.9 | 139 | -105.9 | 0 | 0 | 0 | 0 | 121.7 | | |
| 920 | Q | 33.5 | Very low | 29.3 | Very low | 195 Ų | 195 | 132.7 Ų | 132.7 | 91% | 0.911 | 77% | 0.773 | S | S | * | * | | | | -175.7 | 106.4 | 117.1 | -95 | 148.5 | 74.9 | 0 | 0 | 108.1 | | |
| 921 | V | 29.2 | Very low | 29.3 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 61% | 0.606 | 77% | 0.774 | S | S | * | * | | | cis | 89.6 | 137.1 | 17.9 | -165.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 922 | H | 29.3 | Very low | 29.1 | Very low | 178 Ų | 178 | 136.3 Ų | 136.3 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | trans | 76.4 | 145.7 | -176 | -60.5 | -74.7 | 0 | 0 | 0 | 117 | | |
| 923 | G | 28.1 | Very low | 29.1 | Very low | 61 Ų | 61 | 133.6 Ų | 133.6 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | | | cis | -123.6 | -179.5 | -7.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 924 | F | 31.6 | Very low | 29.1 | Very low | 207 Ų | 207 | 136.5 Ų | 136.5 | 91% | 0.908 | 77% | 0.774 | S | S | * | * | | | cis | -131.9 | 156.7 | 25.2 | -88.9 | -103.6 | 0 | 0 | 0 | 113.8 | | |
| 925 | N | 28.2 | Very low | 29.1 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | | | trans | -118.8 | 136.4 | 163.8 | -86.8 | -24.7 | 0 | 0 | 0 | 108.7 | | |
| 926 | E | 29.1 | Very low | 29.1 | Very low | 196 Ų | 196 | 138.3 Ų | 138.3 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | | | trans | 167.5 | 137.1 | 149.5 | -96.5 | 167.1 | -175 | 0 | 0 | 106.7 | | |
| 927 | S | 35.8 | Very low | 29.3 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | | | cis | -131.7 | 144.9 | 27.2 | -53.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 928 | L | 27.2 | Very low | 29.4 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | | | trans | -97.2 | 179.1 | 162.9 | -116.7 | 80 | 0 | 0 | 0 | 110.7 | | |
| 929 | T | 26.3 | Very low | 29.6 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | | | trans | 78.4 | 92.1 | 166.8 | 69.7 | 0 | 0 | 0 | 0 | 119 | | |
| 930 | T | 31.5 | Very low | 29.8 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | | | | -171.8 | 96.4 | 128.4 | -72.6 | 0 | 0 | 0 | 0 | 105.7 | | |
| 931 | I | 27.3 | Very low | 29.6 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 63% | 0.631 | 76% | 0.758 | S | S | * | * | | | | 80.8 | 114.2 | 71.2 | -67.5 | 167.1 | 0 | 0 | 0 | 112.3 | | |
| 932 | N | 29.8 | Very low | 29.6 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | | | trans | 65.6 | 143 | 175.4 | -48.8 | -24.5 | 0 | 0 | 0 | 115.5 | | |
| 933 | G | 29 | Very low | 29.7 | Very low | 74 Ų | 74 | 139.8 Ų | 139.8 | 76% | 0.763 | 75% | 0.748 | S | S | * | * | | | cis | -175.2 | 168.9 | -4.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 934 | M | 31.1 | Very low | 29.7 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 83% | 0.833 | 76% | 0.755 | S | S | * | * | | | cis | -150.6 | 149.7 | 20.7 | -167.1 | 79.9 | 167.9 | 0 | 0 | 109.8 | | |
| 935 | D | 30 | Very low | 29.5 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 58% | 0.583 | 75% | 0.747 | S | S | * | * | | | trans | -76.6 | 167.8 | 179.9 | -15.4 | -98.1 | 0 | 0 | 0 | 111.9 | | |
| 936 | Y | 28.3 | Very low | 29.6 | Very low | 160 Ų | 160 | 139 Ų | 139 | 63% | 0.627 | 74% | 0.737 | S | S | * | * | | | | 171.9 | 169.1 | 82.2 | -86.2 | -67.3 | 0 | 0 | 0 | 108.6 | | |
| 937 | F | 28.8 | Very low | 29.5 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 72% | 0.715 | 73% | 0.728 | S | S | * | * | | | cis | -150.5 | 150.6 | 1.3 | -124.2 | -54.1 | 0 | 0 | 0 | 109.3 | | |
| 938 | T | 29.7 | Very low | 29.1 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 69% | 0.693 | 73% | 0.725 | S | S | * | * | | | trans | -80.1 | 163.3 | 154.6 | 51.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 939 | N | 31.1 | Very low | 29.1 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | | | | -175.6 | 158.8 | 115.1 | -91.9 | -6 | 0 | 0 | 0 | 114.7 | | |
| 940 | N | 30.7 | Very low | 29.1 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 87% | 0.872 | 72% | 0.716 | S | S | * | * | | | trans | -100.9 | 176.8 | 178.6 | -85.9 | -58.2 | 0 | 0 | 0 | 112.2 | | |
| 941 | N | 30.3 | Very low | 28.9 | Very low | 137 Ų | 137 | 136 Ų | 136 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | | | trans | -63.5 | 156.2 | -172.8 | -86.2 | -66.8 | 0 | 0 | 0 | 117.4 | | |
| 942 | R | 28.2 | Very low | 28.9 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 64% | 0.638 | 72% | 0.722 | S | S | * | * | | | trans | 92 | 127.1 | 139.2 | -91.2 | 179.6 | 157.3 | -159.3 | -8.8 | 121.9 | | |
| 943 | I | 30.6 | Very low | 28.9 | Very low | 116 Ų | 116 | 134 Ų | 134 | 60% | 0.595 | 71% | 0.712 | S | S | * | * | | | trans | 87.8 | 119.9 | 132.1 | -76.4 | 168.6 | 0 | 0 | 0 | 118.7 | | |
| 944 | D | 28.1 | Very low | 28.9 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 76% | 0.759 | 71% | 0.713 | S | S | * | * | | | trans | 57.6 | 144.4 | 144.1 | -61.6 | 7.1 | 0 | 0 | 0 | 120.3 | | |
| 945 | E | 27.6 | Very low | 28.9 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | | | cis | -164.7 | -178.5 | -17.8 | -154.5 | -165.5 | -146.5 | 0 | 0 | 107.7 | | |
| 946 | T | 30.8 | Very low | 28.9 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 58% | 0.577 | 71% | 0.708 | S | S | * | * | | | trans | 66.2 | 103.4 | 140.4 | -75.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 947 | I | 27.4 | Very low | 29 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 71% | 0.708 | 71% | 0.713 | S | S | * | * | | | trans | 78.8 | 109.8 | 134.1 | -65.4 | -177.6 | 0 | 0 | 0 | 120.6 | | |
| 948 | H | 26.7 | Very low | 29.2 | Very low | 160 Ų | 160 | 132.2 Ų | 132.2 | 74% | 0.741 | 71% | 0.709 | S | S | * | * | | | trans | 47.4 | 126.4 | 134.3 | -72.1 | -88.6 | 0 | 0 | 0 | 123.8 | | |
| 949 | T | 26.7 | Very low | 29.2 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 66% | 0.663 | 71% | 0.713 | S | S | * | * | | | trans | 70 | 115.9 | 132.2 | 59.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 950 | T | 26.9 | Very low | 29.2 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 71% | 0.712 | 72% | 0.715 | S | S | * | * | | | trans | 68.9 | 131.3 | 132.3 | 60.1 | 0 | 0 | 0 | 0 | 121.3 | | |
| 951 | N | 27.6 | Very low | 29.2 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | | | trans | 75.5 | 131.3 | 144.5 | -66 | -11.6 | 0 | 0 | 0 | 120.1 | | |
| 952 | H | 27.9 | Very low | 29.1 | Very low | 181 Ų | 181 | 132.8 Ų | 132.8 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | | | trans | 45.7 | 97.6 | 144.4 | -61.6 | -50.7 | 0 | 0 | 0 | 118.6 | | |
| 953 | G | 29.9 | Very low | 29.3 | Very low | 67 Ų | 67 | 129.9 Ų | 129.9 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | | | | 105.9 | 139.9 | 86.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 954 | N | 29.2 | Very low | 29.3 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | | | trans | 58.9 | 121.9 | 155.3 | -76.5 | 15 | 0 | 0 | 0 | 119.7 | | |
| 955 | N | 30.2 | Very low | 29.4 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 65% | 0.647 | 72% | 0.718 | S | S | * | * | | | | 82.8 | 103.2 | 129.7 | -62.1 | 3.9 | 0 | 0 | 0 | 119.1 | | |
| 956 | N | 31 | Very low | 29.6 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 66% | 0.658 | 72% | 0.718 | S | S | * | * | | | | 96.8 | 151 | 113.4 | -68.7 | 3.8 | 0 | 0 | 0 | 120.2 | | |
| 957 | H | 30.5 | Very low | 29.6 | Very low | 159 Ų | 159 | 130.6 Ų | 130.6 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | | | trans | 79.8 | 94.4 | 149.2 | -69.5 | -42.1 | 0 | 0 | 0 | 119.6 | | |
| 958 | S | 31.7 | Very low | 29.7 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 63% | 0.629 | 73% | 0.727 | S | S | * | * | | | | 84.9 | 116.1 | 109.3 | -59.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 959 | N | 29.6 | Very low | 30 | Very low | 147 Ų | 147 | 127.1 Ų | 127.1 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | | | | 24.3 | 115 | 119.5 | -51.6 | 3.5 | 0 | 0 | 0 | 115.9 | | |
| 960 | N | 31.4 | Very low | 30.2 | Very low | 149 Ų | 149 | 128 Ų | 128 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | | | | -161.2 | 131.1 | 109.8 | -105 | -17 | 0 | 0 | 0 | 114.9 | | |
| 961 | T | 30.7 | Very low | 30.6 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 69% | 0.693 | 72% | 0.719 | S | S | * | * | | | trans | 36.9 | 138.8 | 140.3 | 27.5 | 0 | 0 | 0 | 0 | 123.8 | | |
| 962 | M | 28.8 | Very low | 30.8 | Very low | 157 Ų | 157 | 129.1 Ų | 129.1 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | | | trans | 97.8 | 143.6 | 133.7 | -82.8 | 173.9 | 68.9 | 0 | 0 | 121.4 | | |
| 963 | T | 32.7 | Very low | 31.1 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 66% | 0.663 | 72% | 0.724 | S | S | * | * | | | trans | 64.3 | 107.1 | 156.4 | 44.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 964 | N | 29.1 | Very low | 31.2 | Very low | 141 Ų | 141 | 130.7 Ų | 130.7 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | | | | 19.4 | 116.7 | 123.1 | -49.3 | 11.3 | 0 | 0 | 0 | 116.4 | | |
| 965 | D | 30.1 | Very low | 31.4 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | | | | 178.8 | 168.3 | 90.2 | -96.3 | -32.7 | 0 | 0 | 0 | 112.8 | | |
| 966 | T | 32.9 | Very low | 31.7 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | | | trans | 67.1 | 109.9 | 157.4 | 38 | 0 | 0 | 0 | 0 | 121.9 | | |
| 967 | T | 31.6 | Very low | 31.9 | Very low | 121 Ų | 121 | 134 Ų | 134 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | | | | 79 | 97.2 | 128.9 | 54.2 | 0 | 0 | 0 | 0 | 123.9 | | |
| 968 | T | 29.3 | Very low | 32.2 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | | 81.6 | 139.7 | 117.2 | -29.6 | 0 | 0 | 0 | 0 | 122.3 | | |
| 969 | T | 32.5 | Very low | 32.4 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 63% | 0.626 | 76% | 0.755 | S | S | * | * | | | trans | 96.9 | 114.8 | 159.3 | 71.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 970 | N | 30.1 | Very low | 32.6 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | | | trans | 55.6 | 117.1 | 138.6 | -54.2 | 1.8 | 0 | 0 | 0 | 120.6 | | |
| 971 | N | 35 | Very low | 32.9 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | | | | -168.9 | 156.6 | 94.2 | -92.4 | -39.6 | 0 | 0 | 0 | 113.8 | | |
| 972 | N | 32.5 | Very low | 33.1 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | | | trans | -81.9 | 148.5 | -170 | -48.5 | -63.6 | 0 | 0 | 0 | 114.3 | | |
| 973 | S | 35.3 | Very low | 33.4 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | | | | -158.8 | 161 | 121.4 | -157.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 974 | H | 31.8 | Very low | 34 | Very low | 162 Ų | 162 | 128.5 Ų | 128.5 | 75% | 0.75 | 75% | 0.747 | S | S | * | * | | | trans | -74.3 | 137.5 | -156 | -62 | -51.3 | 0 | 0 | 0 | 116.9 | | |
| 975 | N | 33.7 | Very low | 34.5 | Very low | 159 Ų | 159 | 124.4 Ų | 124.4 | 85% | 0.85 | 74% | 0.738 | S | S | * | * | | | trans | -145.2 | 95.2 | 152.8 | -121.4 | -13.4 | 0 | 0 | 0 | 108.2 | | |
| 976 | N | 36.2 | Very low | 35.8 | Very low | 145 Ų | 145 | 125.5 Ų | 125.5 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | | | trans | -108.7 | 88.8 | -177 | -83.9 | 8.9 | 0 | 0 | 0 | 111.4 | S978 | N976-S978 PolarHBondContact O-N 2.87Š|
| 977 | N | 35.5 | Very low | 37.6 | Very low | 152 Ų | 152 | 129.1 Ų | 129.1 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | | | trans | -71 | 115.7 | 156.5 | -72.3 | -29.4 | 0 | 0 | 0 | 108.4 | T979 | N977-T979 VanDerWaalsContact C-N 3.35Å; N977-T979 PolarHBondContact O-N 3.41Å |
| 978 | S | 35.3 | Very low | 39.8 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 85% | 0.853 | 72% | 0.718 | S | S | * | * | | | trans | -76.9 | 89.6 | 166.1 | -72.9 | 0 | 0 | 0 | 0 | 109.4 | N976 | N976-S978 PolarHBondContact O-N 2.87Š|
| 979 | T | 36.1 | Very low | 42.6 | Very low | 120 Ų | 120 | 121.1 Ų | 121.1 | 74% | 0.736 | 70% | 0.699 | S | S | * | * | | | trans | -51 | 138.6 | 175.9 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | N977 I981 | N977-T979 VanDerWaalsContact C-N 3.35Å; N977-T979 PolarHBondContact O-N 3.41Å; T979-I981 PolarHBondContact O-N 2.79Å |
| 980 | I | 34.2 | Very low | 45.3 | Very low | 131 Ų | 131 | 119 Ų | 119 | 67% | 0.672 | 69% | 0.692 | S | S | * | * | | | trans | -62 | 115.6 | 179.5 | -59.4 | 169 | 0 | 0 | 0 | 110.1 | P982 | I980-P982 WeakPolarHBondContact O-CD 3.25Š|
| 981 | I | 37.3 | Very low | 48.3 | Very low | 134 Ų | 134 | 117.9 Ų | 117.9 | 69% | 0.687 | 69% | 0.686 | S | S | * | * | | | trans | -97.6 | 103.6 | 161.1 | -59.5 | 179.1 | 0 | 0 | 0 | 107.3 | T979 G983 | T979-I981 PolarHBondContact O-N 2.79Å; I981-G983 PolarHBondContact O-N 2.8Å |
| 982 | P | 34.5 | Very low | 51.1 | Low | 107 Ų | 107 | 115.8 Ų | 115.8 | 70% | 0.695 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 92 | -178.3 | 31.2 | -33.4 | 0 | 0 | 0 | 110.4 | I980 | I980-P982 WeakPolarHBondContact O-CD 3.25Š|
| 983 | G | 36.4 | Very low | 54 | Low | 71 Ų | 71 | 108.5 Ų | 108.5 | 73% | 0.732 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 175.9 | -15.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | I981 | I981-G983 PolarHBondContact O-N 2.8Š|
| 984 | T | 45.5 | Very low | 56.9 | Low | 124 Ų | 124 | 106.5 Ų | 106.5 | 76% | 0.761 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -118.5 | 62.4 | -165.9 | 56.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 985 | G | 38.4 | Very low | 59.9 | Low | 55 Ų | 55 | 104.2 Ų | 104.2 | 57% | 0.567 | 61% | 0.605 | S | S | * | * | | | trans | 53.7 | 85.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | Y987 | G985-Y987 PolarHBondContact O-N 3.4Š|
| 986 | D | 57.5 | Low | 62.9 | Low | 167 Ų | 167 | 97.4 Ų | 97.4 | 89% | 0.893 | 57% | 0.568 | S | S | * | * | | | trans | -64.3 | 82.5 | -179 | -52.6 | -82.1 | 0 | 0 | 0 | 115.1 | | |
| 987 | Y | 70.5 | Confident | 65.8 | Low | 196 Ų | 196 | 90.6 Ų | 90.6 | 77% | 0.769 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -91.5 | 120.7 | 159.3 | -73.7 | -74.9 | 0 | 0 | 0 | 109.4 | G985 | G985-Y987 PolarHBondContact O-N 3.4Š|
| 988 | P | 79.2 | Confident | 68.7 | Low | 27 Ų | 27 | 89 Ų | 89 | 18% | 0.175 | 52% | 0.518 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 139.7 | 177.9 | 27.6 | -34.5 | 0 | 0 | 0 | 110.6 | D992 L993 F1041 C1045 K1048 | P988-D992 HydrophobicContact CB-CB 3.95Å; P988-L993 HydrophobicContact CB-CD2 4.37Å; P988-L993 HydrophobicContact CB-CG 4.43Å; P988-L993 HydrophobicContact CG-CD2 3.98Å; P988-L993 HydrophobicContact CG-CG 4.33Å; P988-F1041 VanDerWaalsContact O-CZ 3.25Å; P988-F1041 WeakPolarHBondContact O-CZ 3.37Å; P988-C1045 HydrophobicContact CG-CB 4.32Å; P988-K1048 HydrophobicContact CB-CD 4.41Å |
| 989 | S | 87.9 | Confident | 71.6 | Confident | 49 Ų | 49 | 86.7 Ų | 86.7 | 34% | 0.343 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 165.1 | 174.5 | -169.9 | 0 | 0 | 0 | 0 | 111.8 | D991 D992 L993 | S989-D991 PolarHBondContact O-N 2.9Å; S989-D991 PolarHBondContact OG-OD2 2.99Å; S989-D992 VanDerWaalsContact CB-OD2 3.27Å; S989-D992 WeakPolarHBondContact CB-OD2 3.27Å; S989-D992 PolarHBondContact N-OD2 3.39Å; S989-D992 PolarHBondContact O-N 2.8Å; S989-L993 WeakPolarHBondContact O-CG 3.39Å; S989-L993 PolarHBondContact O-N 3.37Å; S989-L993 VanDerWaalsContact O-N 3.14Å |
| 990 | A | 89.4 | Confident | 74.5 | Confident | 58 Ų | 58 | 81 Ų | 81 | 48% | 0.479 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -57 | -42.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L993 E994 F1041 | A990-L993 WeakPolarHBondContact O-CB 3.37Å; A990-L993 PolarHBondContact O-N 3.08Å; A990-E994 PolarHBondContact O-N 3.14Å; A990-F1041 HydrophobicContact CB-CE2 4.47Å |
| 991 | D | 91.9 | Very high | 77.5 | Confident | 103 Ų | 103 | 79.3 Ų | 79.3 | 55% | 0.551 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66.9 | -41 | 179.4 | -36.5 | -70.4 | 0 | 0 | 0 | 111 | S989 L993 E994 I995 | S989-D991 PolarHBondContact O-N 2.9Å; S989-D991 PolarHBondContact OG-OD2 2.99Å; D991-L993 PolarHBondContact O-N 3.2Å; D991-E994 PolarHBondContact O-N 3.4Å; D991-E994 VanDerWaalsContact O-N 3.14Å; D991-I995 WeakPolarHBondContact O-CB 3.25Å; D991-I995 VanDerWaalsContact O-CG1 3.27Å; D991-I995 WeakPolarHBondContact O-CG1 3.31Å; D991-I995 PolarHBondContact O-N 2.96Å |
| 992 | D | 93.8 | Very high | 80.3 | Confident | 74 Ų | 74 | 79.8 Ų | 79.8 | 40% | 0.396 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.4 | -26.1 | 174.8 | -64.6 | -37.8 | 0 | 0 | 0 | 113.1 | P988 S989 F996 K1048 | P988-D992 HydrophobicContact CB-CB 3.95Å; S989-D992 VanDerWaalsContact CB-OD2 3.27Å; S989-D992 WeakPolarHBondContact CB-OD2 3.27Å; S989-D992 PolarHBondContact N-OD2 3.39Å; S989-D992 PolarHBondContact O-N 2.8Å; D992-F996 WeakPolarHBondContact O-CB 3.41Å; D992-F996 PolarHBondContact O-N 3.44Å; D992-K1048 PolarHBondContact O-NZ 2.6Å |
| 993 | L | 94.1 | Very high | 83.2 | Confident | 3 Ų | 3 | 79 Ų | 79 | 2% | 0.016 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -82.4 | -39 | 174.5 | -68.1 | 171 | 0 | 0 | 0 | 111.1 | P988 S989 A990 D991 A997 F1041 M1044 K1048 | P988-L993 HydrophobicContact CB-CD2 4.37Å; P988-L993 HydrophobicContact CB-CG 4.43Å; P988-L993 HydrophobicContact CG-CD2 3.98Å; P988-L993 HydrophobicContact CG-CG 4.33Å; S989-L993 WeakPolarHBondContact O-CG 3.39Å; S989-L993 PolarHBondContact O-N 3.37Å; S989-L993 VanDerWaalsContact O-N 3.14Å; A990-L993 WeakPolarHBondContact O-CB 3.37Å; A990-L993 PolarHBondContact O-N 3.08Å; D991-L993 PolarHBondContact O-N 3.2Å; L993-A997 VanDerWaalsContact O-CB 3.26Å; L993-A997 WeakPolarHBondContact O-CB 3.44Å; L993-A997 PolarHBondContact O-N 3.36Å; L993-F1041 HydrophobicContact CD1-CD2 3.47Å; L993-F1041 VanDerWaalsContact CD1-CD2 3.47Å; L993-F1041 HydrophobicContact CD1-CE2 3.46Å; L993-F1041 VanDerWaalsContact CD1-CE2 3.46Å; L993-F1041 HydrophobicContact CD1-CG 4.37Å; L993-F1041 HydrophobicContact CD1-CZ 4.36Å; L993-M1044 HydrophobicContact CB-SD 4.44Å; L993-M1044 HydrophobicContact CD1-CB 3.86Å; L993-M1044 HydrophobicContact CD1-SD 4.43Å; L993-M1044 HydrophobicContact CD2-CB 3.98Å; L993-M1044 HydrophobicContact CG-CB 4.44Å; L993-K1048 HydrophobicContact CD2-CB 4.06Å; L993-K1048 HydrophobicContact CD2-CD 3.83Å |
| 994 | E | 95.7 | Very high | 86 | Confident | 78 Ų | 78 | 76.5 Ų | 76.5 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.5 | -49.6 | 175.8 | 174.9 | 160.9 | 161.5 | 0 | 0 | 112.4 | A990 D991 F996 A997 K998 L1037 | A990-E994 PolarHBondContact O-N 3.14Å; D991-E994 PolarHBondContact O-N 3.4Å; D991-E994 VanDerWaalsContact O-N 3.14Å; E994-F996 VanDerWaalsContact C-N 3.28Å; E994-F996 PolarHBondContact O-N 2.97Å; E994-A997 PolarHBondContact O-N 2.98Å; E994-K998 HydrophobicContact CG-CD 3.99Å; E994-K998 WeakPolarHBondContact O-CB 3.09Å; E994-K998 WeakPolarHBondContact O-CG 3.26Å; E994-K998 PolarHBondContact O-N 3.42Å; E994-K998 VanDerWaalsContact OE1-CE 3.22Å; E994-K998 WeakPolarHBondContact OE1-CE 3.13Å; E994-K998 IonicContact OE1-NZ 3.41Å; E994-K998 PolarHBondContact OE1-NZ 3.35Å; E994-L1037 HydrophobicContact CB-CD1 3.8Å; E994-L1037 HydrophobicContact CG-CD1 3.83Å |
| 995 | I | 95.1 | Very high | 88.4 | Confident | 114 Ų | 114 | 75 Ų | 75 | 59% | 0.585 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -57 | -46.4 | 175.3 | -66.7 | 165.3 | 0 | 0 | 0 | 109.4 | D991 M999 | D991-I995 WeakPolarHBondContact O-CB 3.25Å; D991-I995 VanDerWaalsContact O-CG1 3.27Å; D991-I995 WeakPolarHBondContact O-CG1 3.31Å; D991-I995 PolarHBondContact O-N 2.96Å; I995-M999 WeakPolarHBondContact O-CB 3.27Å; I995-M999 PolarHBondContact O-N 2.78Å |
| 996 | F | 96.8 | Very high | 91 | Very high | 15 Ų | 15 | 78.8 Ų | 78.8 | 7% | 0.066 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 177.1 | 178.3 | -93.7 | 0 | 0 | 0 | 112.8 | D992 E994 M999 F1000 F1034 K1048 L1051 Q1052 | D992-F996 WeakPolarHBondContact O-CB 3.41Å; D992-F996 PolarHBondContact O-N 3.44Å; E994-F996 VanDerWaalsContact C-N 3.28Å; E994-F996 PolarHBondContact O-N 2.97Å; F996-M999 PolarHBondContact O-N 3.04Å; F996-F1000 HydrophobicContact CE1-CB 4.17Å; F996-F1000 HydrophobicContact CZ-CB 4.24Å; F996-F1000 HydrophobicContact CZ-CD2 4.23Å; F996-F1000 WeakPolarHBondContact O-CB 3.39Å; F996-F1000 PolarHBondContact O-N 3.17Å; F996-F1034 AromaticContact CD1-CE1 3.61Å; F996-F1034 HydrophobicContact CD1-CE1 3.61Å; F996-F1034 AromaticContact CD1-CZ 3.57Å; F996-F1034 HydrophobicContact CD1-CZ 3.57Å; F996-F1034 AromaticContact CE1-CE1 3.56Å; F996-F1034 HydrophobicContact CE1-CE1 3.56Å; F996-F1034 AromaticContact CE1-CZ 3.6Å; F996-F1034 HydrophobicContact CE1-CZ 3.6Å; F996-K1048 HydrophobicContact CB-CD 3.99Å; F996-K1048 HydrophobicContact CD1-CB 4.17Å; F996-K1048 HydrophobicContact CD1-CD 4.01Å; F996-K1048 HydrophobicContact CD1-CG 3.76Å; F996-K1048 HydrophobicContact CD2-CD 4.31Å; F996-K1048 HydrophobicContact CD2-CG 4.2Å; F996-K1048 HydrophobicContact CE1-CB 4.2Å; F996-K1048 HydrophobicContact CE1-CG 3.95Å; F996-K1048 HydrophobicContact CE2-CG 4.37Å; F996-K1048 HydrophobicContact CG-CD 3.81Å; F996-K1048 HydrophobicContact CG-CG 3.9Å; F996-K1048 HydrophobicContact CZ-CG 4.26Å; F996-L1051 HydrophobicContact CE1-CB 3.97Å; F996-L1051 HydrophobicContact CE1-CD1 4.49Å; F996-L1051 HydrophobicContact CZ-CB 3.9Å; F996-Q1052 HydrophobicContact CE2-CB 3.6Å; F996-Q1052 HydrophobicContact CE2-CG 3.93Å; F996-Q1052 HydrophobicContact CZ-CB 3.78Å |
| 997 | A | 97 | Very high | 92.7 | Very high | 2 Ų | 2 | 72.6 Ų | 72.6 | 2% | 0.017 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | L993 E994 K1001 F1034 L1037 | L993-A997 VanDerWaalsContact O-CB 3.26Å; L993-A997 WeakPolarHBondContact O-CB 3.44Å; L993-A997 PolarHBondContact O-N 3.36Å; E994-A997 PolarHBondContact O-N 2.98Å; A997-K1001 VanDerWaalsContact O-CB 3.3Å; A997-K1001 WeakPolarHBondContact O-CB 3.17Å; A997-K1001 PolarHBondContact O-N 3.15Å; A997-F1034 HydrophobicContact CB-CD1 4.36Å; A997-F1034 HydrophobicContact CB-CE1 4.08Å; A997-L1037 HydrophobicContact CB-CD2 3.7Å; A997-L1037 HydrophobicContact CB-CG 4.43Å |
| 998 | K | 96.3 | Very high | 93.8 | Very high | 118 Ų | 118 | 66 Ų | 66 | 51% | 0.513 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.1 | -51.1 | 173.1 | -75.1 | 171 | 168.6 | 172.9 | 0 | 111.1 | E994 K1001 Q1002 | E994-K998 HydrophobicContact CG-CD 3.99Å; E994-K998 WeakPolarHBondContact O-CB 3.09Å; E994-K998 WeakPolarHBondContact O-CG 3.26Å; E994-K998 PolarHBondContact O-N 3.42Å; E994-K998 VanDerWaalsContact OE1-CE 3.22Å; E994-K998 WeakPolarHBondContact OE1-CE 3.13Å; E994-K998 IonicContact OE1-NZ 3.41Å; E994-K998 PolarHBondContact OE1-NZ 3.35Å; K998-K1001 PolarHBondContact O-N 3.37Å; K998-Q1002 WeakPolarHBondContact O-CG 3.46Å; K998-Q1002 PolarHBondContact O-N 3.43Å |
| 999 | M | 95.9 | Very high | 94.5 | Very high | 74 Ų | 74 | 66.1 Ų | 66.1 | 37% | 0.365 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.7 | -47.7 | 179.4 | 177.3 | -86 | 163.3 | 0 | 0 | 111.9 | I995 F996 K1001 Q1002 R1003 L1055 | I995-M999 WeakPolarHBondContact O-CB 3.27Å; I995-M999 PolarHBondContact O-N 2.78Å; F996-M999 PolarHBondContact O-N 3.04Å; M999-K1001 PolarHBondContact O-N 3.33Å; M999-Q1002 PolarHBondContact O-N 3.46Å; M999-R1003 HydrophobicContact CE-CB 4.05Å; M999-R1003 HydrophobicContact CE-CG 4.01Å; M999-R1003 VanDerWaalsContact O-CB 3.28Å; M999-R1003 WeakPolarHBondContact O-CB 3.48Å; M999-R1003 PolarHBondContact O-N 2.9Å; M999-L1055 HydrophobicContact CE-CD2 3.65Å; M999-L1055 HydrophobicContact SD-CD2 3.7Å |
| 1000 | F | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.5 | -48.7 | 176.2 | 171.8 | -87.5 | 0 | 0 | 0 | 111.5 | F996 R1003 R1004 V1014 I1031 E1035 L1051 W1054 L1055 | F996-F1000 HydrophobicContact CE1-CB 4.17Å; F996-F1000 HydrophobicContact CZ-CB 4.24Å; F996-F1000 HydrophobicContact CZ-CD2 4.23Å; F996-F1000 WeakPolarHBondContact O-CB 3.39Å; F996-F1000 PolarHBondContact O-N 3.17Å; F1000-R1003 PolarHBondContact O-N 2.86Å; F1000-R1004 HydrophobicContact CE1-CB 4.47Å; F1000-R1004 VanDerWaalsContact O-CB 3.26Å; F1000-R1004 WeakPolarHBondContact O-CB 3.26Å; F1000-R1004 PolarHBondContact O-N 3.46Å; F1000-V1014 HydrophobicContact CZ-CG1 4.1Å; F1000-I1031 HydrophobicContact CE1-CG2 3.93Å; F1000-I1031 HydrophobicContact CZ-CG2 4.3Å; F1000-E1035 HydrophobicContact CD1-CG 4.06Å; F1000-E1035 HydrophobicContact CE1-CG 4.17Å; F1000-L1051 HydrophobicContact CD2-CB 4.03Å; F1000-L1051 HydrophobicContact CE2-CB 3.9Å; F1000-L1051 HydrophobicContact CE2-CD2 3.77Å; F1000-L1051 HydrophobicContact CE2-CG 4.35Å; F1000-L1051 HydrophobicContact CZ-CD2 3.76Å; F1000-W1054 AromaticContact CE2-CE3 3.8Å; F1000-W1054 HydrophobicContact CE2-CE3 3.8Å; F1000-W1054 AromaticContact CE2-CZ3 3.82Å; F1000-W1054 HydrophobicContact CE2-CZ3 3.82Å; F1000-W1054 HydrophobicContact CZ-CE3 4.38Å; F1000-W1054 HydrophobicContact CZ-CZ3 4.18Å; F1000-L1055 HydrophobicContact CB-CD2 4.48Å; F1000-L1055 HydrophobicContact CD2-CB 4.43Å; F1000-L1055 HydrophobicContact CD2-CD1 4.49Å; F1000-L1055 HydrophobicContact CD2-CD2 4.1Å |
| 1001 | K | 97.3 | Very high | 95.1 | Very high | 96 Ų | 96 | 66 Ų | 66 | 42% | 0.417 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.7 | -48.8 | 179.2 | -176.5 | -178.8 | -174.9 | -179.5 | 0 | 111.5 | A997 K998 M999 I1005 E1035 | A997-K1001 VanDerWaalsContact O-CB 3.3Å; A997-K1001 WeakPolarHBondContact O-CB 3.17Å; A997-K1001 PolarHBondContact O-N 3.15Å; K998-K1001 PolarHBondContact O-N 3.37Å; M999-K1001 PolarHBondContact O-N 3.33Å; K1001-I1005 HydrophobicContact CG-CD1 4.04Å; K1001-I1005 WeakPolarHBondContact O-CB 3.3Å; K1001-I1005 WeakPolarHBondContact O-CD1 3.44Å; K1001-I1005 VanDerWaalsContact O-CG1 3.25Å; K1001-I1005 WeakPolarHBondContact O-CG1 3.42Å; K1001-I1005 PolarHBondContact O-N 3.39Å; K1001-E1035 HydrophobicContact CB-CB 4.48Å; K1001-E1035 HydrophobicContact CB-CG 4.02Å; K1001-E1035 HydrophobicContact CD-CB 4.27Å; K1001-E1035 HydrophobicContact CG-CG 4.24Å |
| 1002 | Q | 95.9 | Very high | 95.2 | Very high | 144 Ų | 144 | 62.8 Ų | 62.8 | 67% | 0.673 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.6 | -44.9 | 177.4 | -73.2 | 176.6 | -6.9 | 0 | 0 | 111.8 | K998 M999 I1005 K1006 | K998-Q1002 WeakPolarHBondContact O-CG 3.46Å; K998-Q1002 PolarHBondContact O-N 3.43Å; M999-Q1002 PolarHBondContact O-N 3.46Å; Q1002-I1005 PolarHBondContact O-N 3.31Å; Q1002-K1006 WeakPolarHBondContact O-CB 3.3Å; Q1002-K1006 PolarHBondContact O-N 3.37Å |
| 1003 | R | 95.4 | Very high | 95.1 | Very high | 91 Ų | 91 | 60.5 Ų | 60.5 | 34% | 0.343 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.5 | -46.3 | -176.1 | -159.7 | 72.3 | 170.6 | -158.9 | -5.9 | 111.7 | M999 F1000 I1005 K1006 L1007 L1055 D1059 | M999-R1003 HydrophobicContact CE-CB 4.05Å; M999-R1003 HydrophobicContact CE-CG 4.01Å; M999-R1003 VanDerWaalsContact O-CB 3.28Å; M999-R1003 WeakPolarHBondContact O-CB 3.48Å; M999-R1003 PolarHBondContact O-N 2.9Å; F1000-R1003 PolarHBondContact O-N 2.86Å; R1003-I1005 VanDerWaalsContact C-N 3.29Å; R1003-I1005 PolarHBondContact O-N 3.19Å; R1003-K1006 WeakPolarHBondContact O-CA 3.49Å; R1003-K1006 WeakPolarHBondContact O-CB 3.41Å; R1003-K1006 PolarHBondContact O-N 3Å; R1003-L1007 WeakPolarHBondContact O-CG 3.31Å; R1003-L1007 PolarHBondContact O-N 3.43Å; R1003-L1055 HydrophobicContact CB-CD1 3.86Å; R1003-L1055 HydrophobicContact CB-CD2 4.01Å; R1003-L1055 HydrophobicContact CB-CG 4.4Å; R1003-L1055 HydrophobicContact CG-CD1 3.76Å; R1003-L1055 HydrophobicContact CG-CD2 4.13Å; R1003-L1055 HydrophobicContact CG-CG 4.14Å; R1003-D1059 IonicContact CZ-OD1 2.59Å; R1003-D1059 IonicContact CZ-OD2 3.18Å; R1003-D1059 VanDerWaalsContact NE-CG 3.29Å; R1003-D1059 IonicContact NE-OD1 2.69Å; R1003-D1059 PolarHBondContact NE-OD1 2.59Å; R1003-D1059 IonicContact NE-OD2 3.02Å; R1003-D1059 PolarHBondContact NE-OD2 3.08Å; R1003-D1059 VanDerWaalsContact NH2-CG 3.3Å; R1003-D1059 IonicContact NH2-OD1 2.8Å; R1003-D1059 PolarHBondContact NH2-OD1 2.97Å; R1003-D1059 IonicContact NH2-OD2 3.54Å; R1003-D1059 PolarHBondContact NH2-OD2 2.89Å |
| 1004 | R | 95.7 | Very high | 95.1 | Very high | 18 Ų | 18 | 60.3 Ų | 60.3 | 7% | 0.068 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -51.5 | -48.1 | 172.3 | -178.1 | -171.6 | 57.9 | 72.5 | -5 | 111.5 | F1000 L1007 G1008 Y1009 V1014 E1035 W1054 | F1000-R1004 HydrophobicContact CE1-CB 4.47Å; F1000-R1004 VanDerWaalsContact O-CB 3.26Å; F1000-R1004 WeakPolarHBondContact O-CB 3.26Å; F1000-R1004 PolarHBondContact O-N 3.46Å; R1004-L1007 PolarHBondContact O-N 2.81Å; R1004-G1008 PolarHBondContact O-N 3.19Å; R1004-Y1009 VanDerWaalsContact CG-O 3.31Å; R1004-Y1009 WeakPolarHBondContact CG-O 3.31Å; R1004-Y1009 PolarHBondContact NH1-O 3.42Å; R1004-Y1009 PolarHBondContact O-N 3.15Å; R1004-V1014 VanDerWaalsContact CD-CG2 3.4Å; R1004-V1014 HydrophobicContact CG-CG2 3.81Å; R1004-E1035 IonicContact CZ-OE1 3.84Å; R1004-E1035 IonicContact NE-OE1 3.94Å; R1004-E1035 PolarHBondContact NE-OE1 2.95Å; R1004-E1035 VanDerWaalsContact NH2-CD 3.33Å; R1004-E1035 IonicContact NH2-OE1 3.79Å; R1004-E1035 PolarHBondContact NH2-OE1 2.84Å; R1004-E1035 IonicContact NH2-OE2 2.6Å; R1004-E1035 PolarHBondContact NH2-OE2 2.69Å; R1004-W1054 HydrophobicContact CG-CH2 4.29Å |
| 1005 | I | 94.2 | Very high | 95 | Very high | 94 Ų | 94 | 56.7 Ų | 56.7 | 48% | 0.482 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.4 | -38 | 178.1 | -66 | 168 | 0 | 0 | 0 | 111.4 | K1001 Q1002 R1003 L1007 G1008 | K1001-I1005 HydrophobicContact CG-CD1 4.04Å; K1001-I1005 WeakPolarHBondContact O-CB 3.3Å; K1001-I1005 WeakPolarHBondContact O-CD1 3.44Å; K1001-I1005 VanDerWaalsContact O-CG1 3.25Å; K1001-I1005 WeakPolarHBondContact O-CG1 3.42Å; K1001-I1005 PolarHBondContact O-N 3.39Å; Q1002-I1005 PolarHBondContact O-N 3.31Å; R1003-I1005 VanDerWaalsContact C-N 3.29Å; R1003-I1005 PolarHBondContact O-N 3.19Å; I1005-L1007 VanDerWaalsContact C-N 3.28Å; I1005-L1007 PolarHBondContact O-N 3.36Å; I1005-G1008 PolarHBondContact O-N 3.24Å; I1005-G1008 VanDerWaalsContact O-N 3.17Å |
| 1006 | K | 94.6 | Very high | 94.7 | Very high | 133 Ų | 133 | 53.6 Ų | 53.6 | 58% | 0.578 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -62.9 | -34.1 | 175.2 | -171.1 | -179.4 | 177.5 | -176.8 | 0 | 112.5 | Q1002 R1003 G1008 | Q1002-K1006 WeakPolarHBondContact O-CB 3.3Å; Q1002-K1006 PolarHBondContact O-N 3.37Å; R1003-K1006 WeakPolarHBondContact O-CA 3.49Å; R1003-K1006 WeakPolarHBondContact O-CB 3.41Å; R1003-K1006 PolarHBondContact O-N 3Å; K1006-G1008 VanDerWaalsContact C-N 3.33Å |
| 1007 | L | 92.3 | Very high | 94.3 | Very high | 37 Ų | 37 | 53.3 Ų | 53.3 | 19% | 0.194 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -2.3 | 176.2 | -62.8 | -172.7 | 0 | 0 | 0 | 114.2 | R1003 R1004 I1005 Y1009 L1055 A1058 T1062 | R1003-L1007 WeakPolarHBondContact O-CG 3.31Å; R1003-L1007 PolarHBondContact O-N 3.43Å; R1004-L1007 PolarHBondContact O-N 2.81Å; I1005-L1007 VanDerWaalsContact C-N 3.28Å; I1005-L1007 PolarHBondContact O-N 3.36Å; L1007-Y1009 VanDerWaalsContact C-N 3.32Å; L1007-Y1009 HydrophobicContact CB-CD2 3.68Å; L1007-Y1009 HydrophobicContact CB-CE2 3.98Å; L1007-Y1009 HydrophobicContact CD1-CD2 4.37Å; L1007-Y1009 HydrophobicContact CD1-CE2 4.27Å; L1007-Y1009 PolarHBondContact O-N 3.46Å; L1007-L1055 HydrophobicContact CD1-CD1 4.49Å; L1007-A1058 HydrophobicContact CD1-CB 3.68Å; L1007-T1062 HydrophobicContact CD2-CG2 4.02Å; L1007-T1062 VanDerWaalsContact CD2-OG1 3.31Å; L1007-T1062 WeakPolarHBondContact CD2-OG1 3.46Å |
| 1008 | G | 93.3 | Very high | 94 | Very high | 57 Ų | 57 | 53.3 Ų | 53.3 | 59% | 0.588 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.3 | -3.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | R1004 I1005 K1006 | R1004-G1008 PolarHBondContact O-N 3.19Å; I1005-G1008 PolarHBondContact O-N 3.24Å; I1005-G1008 VanDerWaalsContact O-N 3.17Å; K1006-G1008 VanDerWaalsContact C-N 3.33Å |
| 1009 | Y | 93.9 | Very high | 93.5 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 12% | 0.118 | 25% | 0.254 | C | S | . | . | | | trans | -72.5 | 133.2 | 179.9 | -69 | -73.3 | 0 | 0 | 0 | 112.4 | R1004 L1007 D1013 W1054 A1058 L1068 I1071 | R1004-Y1009 VanDerWaalsContact CG-O 3.31Å; R1004-Y1009 WeakPolarHBondContact CG-O 3.31Å; R1004-Y1009 PolarHBondContact NH1-O 3.42Å; R1004-Y1009 PolarHBondContact O-N 3.15Å; L1007-Y1009 VanDerWaalsContact C-N 3.32Å; L1007-Y1009 HydrophobicContact CB-CD2 3.68Å; L1007-Y1009 HydrophobicContact CB-CE2 3.98Å; L1007-Y1009 HydrophobicContact CD1-CD2 4.37Å; L1007-Y1009 HydrophobicContact CD1-CE2 4.27Å; L1007-Y1009 PolarHBondContact O-N 3.46Å; Y1009-D1013 HydrophobicContact CD1-CB 3.96Å; Y1009-W1054 HydrophobicContact CD1-CZ2 4.24Å; Y1009-W1054 AromaticContact CD2-CH2 3.68Å; Y1009-W1054 HydrophobicContact CD2-CH2 3.68Å; Y1009-W1054 AromaticContact CD2-CZ2 3.7Å; Y1009-W1054 HydrophobicContact CD2-CZ2 3.7Å; Y1009-W1054 HydrophobicContact CE1-CZ2 4.49Å; Y1009-W1054 HydrophobicContact CE2-CH2 4.3Å; Y1009-W1054 HydrophobicContact CE2-CZ2 4.01Å; Y1009-W1054 AromaticContact CG-CH2 3.97Å; Y1009-W1054 HydrophobicContact CG-CH2 3.97Å; Y1009-W1054 AromaticContact CG-CZ2 3.84Å; Y1009-W1054 HydrophobicContact CG-CZ2 3.84Å; Y1009-A1058 HydrophobicContact CE2-CB 4.01Å; Y1009-L1068 HydrophobicContact CD1-CD1 4.34Å; Y1009-L1068 HydrophobicContact CE1-CD1 4.06Å; Y1009-I1071 HydrophobicContact CE1-CD1 4.24Å |
| 1010 | T | 95.8 | Very high | 92.8 | Very high | 69 Ų | 69 | 49.8 Ų | 49.8 | 42% | 0.423 | 27% | 0.267 | S | S | . | . | | | trans | -76.3 | 166.4 | 167.6 | 76.1 | 0 | 0 | 0 | 0 | 111.3 | A1012 D1013 V1014 | T1010-A1012 PolarHBondContact O-N 2.87Å; T1010-A1012 PolarHBondContact OG1-N 2.6Å; T1010-A1012 VanDerWaalsContact OG1-N 3.15Å; T1010-D1013 WeakPolarHBondContact CA-OD2 3.22Å; T1010-D1013 WeakPolarHBondContact CB-OD2 3.42Å; T1010-D1013 WeakPolarHBondContact CG2-OD2 3.31Å; T1010-D1013 PolarHBondContact N-OD2 3.1Å; T1010-D1013 PolarHBondContact O-N 2.91Å; T1010-D1013 PolarHBondContact OG1-N 3.46Å; T1010-D1013 PolarHBondContact OG1-OD1 2.93Å; T1010-D1013 PolarHBondContact OG1-OD2 3.1Å; T1010-V1014 PolarHBondContact O-N 2.9Å |
| 1011 | Q | 94.3 | Very high | 91.6 | Very high | 35 Ų | 35 | 53.2 Ų | 53.2 | 16% | 0.164 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.7 | -18.2 | 170.9 | -69.8 | 175.2 | -14.6 | 0 | 0 | 113 | Q1028 I1031 E1035 | Q1011-Q1028 HydrophobicContact CB-CB 4.5Å; Q1011-Q1028 HydrophobicContact CB-CG 3.53Å; Q1011-I1031 HydrophobicContact CB-CB 4.27Å; Q1011-I1031 HydrophobicContact CB-CG2 4.26Å; Q1011-I1031 HydrophobicContact CG-CB 4.44Å; Q1011-I1031 HydrophobicContact CG-CG2 4.07Å; Q1011-E1035 PolarHBondContact NE2-OE2 2.92Å |
| 1012 | A | 93.5 | Very high | 90.8 | Very high | 36 Ų | 36 | 52.1 Ų | 52.1 | 30% | 0.298 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -80.5 | -44.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | T1010 V1014 G1015 L1016 | T1010-A1012 PolarHBondContact O-N 2.87Å; T1010-A1012 PolarHBondContact OG1-N 2.6Å; T1010-A1012 VanDerWaalsContact OG1-N 3.15Å; A1012-V1014 VanDerWaalsContact C-N 3.32Å; A1012-V1014 PolarHBondContact O-N 3.48Å; A1012-G1015 CarbonylContact O-C 3.6Å; A1012-G1015 WeakPolarHBondContact O-CA 3.2Å; A1012-G1015 PolarHBondContact O-N 3.33Å; A1012-L1016 PolarHBondContact O-N 2.85Å |
| 1013 | D | 93.2 | Very high | 89.8 | Confident | 26 Ų | 26 | 48.8 Ų | 48.8 | 14% | 0.139 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.6 | -39.8 | -178.8 | -46.6 | -40 | 0 | 0 | 0 | 111.6 | Y1009 T1010 G1015 L1016 A1017 | Y1009-D1013 HydrophobicContact CD1-CB 3.96Å; T1010-D1013 WeakPolarHBondContact CA-OD2 3.22Å; T1010-D1013 WeakPolarHBondContact CB-OD2 3.42Å; T1010-D1013 WeakPolarHBondContact CG2-OD2 3.31Å; T1010-D1013 PolarHBondContact N-OD2 3.1Å; T1010-D1013 PolarHBondContact O-N 2.91Å; T1010-D1013 PolarHBondContact OG1-N 3.46Å; T1010-D1013 PolarHBondContact OG1-OD1 2.93Å; T1010-D1013 PolarHBondContact OG1-OD2 3.1Å; D1013-G1015 VanDerWaalsContact C-N 3.32Å; D1013-G1015 PolarHBondContact O-N 3.27Å; D1013-L1016 PolarHBondContact O-N 3.39Å; D1013-A1017 WeakPolarHBondContact O-CB 3.3Å; D1013-A1017 PolarHBondContact O-N 2.83Å |
| 1014 | V | 93.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 170.1 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | F1000 R1004 T1010 A1012 L1016 A1017 L1018 I1031 L1051 W1054 | F1000-V1014 HydrophobicContact CZ-CG1 4.1Å; R1004-V1014 VanDerWaalsContact CD-CG2 3.4Å; R1004-V1014 HydrophobicContact CG-CG2 3.81Å; T1010-V1014 PolarHBondContact O-N 2.9Å; A1012-V1014 VanDerWaalsContact C-N 3.32Å; A1012-V1014 PolarHBondContact O-N 3.48Å; V1014-L1016 VanDerWaalsContact C-N 3.28Å; V1014-L1016 PolarHBondContact O-N 3.4Å; V1014-A1017 PolarHBondContact O-N 3.42Å; V1014-L1018 HydrophobicContact CG1-CD1 3.62Å; V1014-L1018 HydrophobicContact CG1-CG 4.07Å; V1014-L1018 VanDerWaalsContact O-CB 3.31Å; V1014-L1018 WeakPolarHBondContact O-CB 3.13Å; V1014-L1018 WeakPolarHBondContact O-CD1 3.42Å; V1014-L1018 WeakPolarHBondContact O-CG 3.44Å; V1014-L1018 PolarHBondContact O-N 2.88Å; V1014-I1031 HydrophobicContact CG1-CD1 3.84Å; V1014-I1031 HydrophobicContact CG1-CG1 4.21Å; V1014-L1051 HydrophobicContact CG1-CD2 4.29Å; V1014-W1054 HydrophobicContact CG1-CD2 4.32Å; V1014-W1054 HydrophobicContact CG1-CE3 4.29Å; V1014-W1054 HydrophobicContact CG1-CZ3 4.49Å; V1014-W1054 HydrophobicContact CG2-CE3 4.34Å; V1014-W1054 HydrophobicContact CG2-CH2 3.43Å; V1014-W1054 VanDerWaalsContact CG2-CH2 3.43Å; V1014-W1054 HydrophobicContact CG2-CZ2 3.64Å; V1014-W1054 HydrophobicContact CG2-CZ3 3.79Å |
| 1015 | G | 92.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.3 | -38.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1012 D1013 G1019 F1026 | A1012-G1015 CarbonylContact O-C 3.6Å; A1012-G1015 WeakPolarHBondContact O-CA 3.2Å; A1012-G1015 PolarHBondContact O-N 3.33Å; D1013-G1015 VanDerWaalsContact C-N 3.32Å; D1013-G1015 PolarHBondContact O-N 3.27Å; G1015-G1019 PolarHBondContact O-N 3.42Å; G1015-F1026 CarbonylContact C-O 3.12Å; G1015-F1026 WeakPolarHBondContact CA-O 3.42Å; G1015-F1026 PolarHBondContact O-N 3.38Å |
| 1016 | L | 89 | Confident | 87.7 | Confident | 49 Ų | 49 | 48 Ų | 48 | 26% | 0.257 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.9 | -52.7 | 174.4 | -66.3 | 172.3 | 0 | 0 | 0 | 111.7 | A1012 D1013 V1014 L1018 G1019 T1020 V1025 | A1012-L1016 PolarHBondContact O-N 2.85Å; D1013-L1016 PolarHBondContact O-N 3.39Å; V1014-L1016 VanDerWaalsContact C-N 3.28Å; V1014-L1016 PolarHBondContact O-N 3.4Å; L1016-L1018 PolarHBondContact O-N 3.37Å; L1016-G1019 CarbonylContact O-C 3.6Å; L1016-G1019 VanDerWaalsContact O-CA 3.23Å; L1016-G1019 WeakPolarHBondContact O-CA 3.24Å; L1016-G1019 PolarHBondContact O-N 3.42Å; L1016-T1020 PolarHBondContact O-N 3.14Å; L1016-T1020 PolarHBondContact O-OG1 3.02Å; L1016-V1025 HydrophobicContact CD2-CG1 4.4Å |
| 1017 | A | 89.6 | Confident | 87.3 | Confident | 10 Ų | 10 | 43.2 Ų | 43.2 | 8% | 0.083 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.6 | -41.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1013 V1014 G1019 T1020 L1021 I1071 | D1013-A1017 WeakPolarHBondContact O-CB 3.3Å; D1013-A1017 PolarHBondContact O-N 2.83Å; V1014-A1017 PolarHBondContact O-N 3.42Å; A1017-G1019 PolarHBondContact O-N 2.85Å; A1017-T1020 WeakPolarHBondContact O-CB 3.22Å; A1017-T1020 PolarHBondContact O-N 3.33Å; A1017-T1020 VanDerWaalsContact O-N 3.15Å; A1017-L1021 WeakPolarHBondContact O-CG 3.38Å; A1017-L1021 PolarHBondContact O-N 2.97Å; A1017-I1071 HydrophobicContact CB-CG2 4.31Å |
| 1018 | L | 89.1 | Confident | 87.3 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.1 | -31.5 | 170.2 | -68.1 | 169.8 | 0 | 0 | 0 | 112.4 | V1014 L1016 T1020 L1021 Y1022 F1026 I1031 L1051 W1054 | V1014-L1018 HydrophobicContact CG1-CD1 3.62Å; V1014-L1018 HydrophobicContact CG1-CG 4.07Å; V1014-L1018 VanDerWaalsContact O-CB 3.31Å; V1014-L1018 WeakPolarHBondContact O-CB 3.13Å; V1014-L1018 WeakPolarHBondContact O-CD1 3.42Å; V1014-L1018 WeakPolarHBondContact O-CG 3.44Å; V1014-L1018 PolarHBondContact O-N 2.88Å; L1016-L1018 PolarHBondContact O-N 3.37Å; L1018-T1020 VanDerWaalsContact C-N 3.33Å; L1018-L1021 PolarHBondContact O-N 3.05Å; L1018-Y1022 HydrophobicContact CB-CD2 4.34Å; L1018-Y1022 HydrophobicContact CD2-CD2 3.91Å; L1018-Y1022 HydrophobicContact CD2-CE2 3.62Å; L1018-Y1022 WeakPolarHBondContact O-CB 3.42Å; L1018-Y1022 WeakPolarHBondContact O-CD2 3.45Å; L1018-Y1022 PolarHBondContact O-N 3.03Å; L1018-F1026 HydrophobicContact CB-CD2 3.57Å; L1018-F1026 HydrophobicContact CB-CE2 4.12Å; L1018-F1026 HydrophobicContact CD1-CB 4.26Å; L1018-F1026 HydrophobicContact CD1-CD2 3.72Å; L1018-F1026 HydrophobicContact CD1-CE2 4.39Å; L1018-F1026 HydrophobicContact CD1-CG 4.17Å; L1018-F1026 HydrophobicContact CG-CD2 4.26Å; L1018-I1031 HydrophobicContact CD1-CD1 3.88Å; L1018-L1051 HydrophobicContact CD1-CD2 3.73Å; L1018-W1054 HydrophobicContact CD2-CB 3.55Å; L1018-W1054 HydrophobicContact CD2-CG 3.96Å; L1018-W1054 HydrophobicContact CG-CB 4.48Å; L1018-W1054 HydrophobicContact CG-CG 4.39Å |
| 1019 | G | 86 | Confident | 87.3 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 12% | 0.124 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63 | -38.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1015 L1016 A1017 G1023 | G1015-G1019 PolarHBondContact O-N 3.42Å; L1016-G1019 CarbonylContact O-C 3.6Å; L1016-G1019 VanDerWaalsContact O-CA 3.23Å; L1016-G1019 WeakPolarHBondContact O-CA 3.24Å; L1016-G1019 PolarHBondContact O-N 3.42Å; A1017-G1019 PolarHBondContact O-N 2.85Å; G1019-G1023 VanDerWaalsContact O-CA 3.24Å; G1019-G1023 WeakPolarHBondContact O-CA 3.38Å; G1019-G1023 PolarHBondContact O-N 3.23Å |
| 1020 | T | 81.4 | Confident | 87.3 | Confident | 106 Ų | 106 | 47.3 Ų | 47.3 | 65% | 0.65 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -67.4 | -42.9 | 173.2 | -49.8 | 0 | 0 | 0 | 0 | 112 | L1016 A1017 L1018 | L1016-T1020 PolarHBondContact O-N 3.14Å; L1016-T1020 PolarHBondContact O-OG1 3.02Å; A1017-T1020 WeakPolarHBondContact O-CB 3.22Å; A1017-T1020 PolarHBondContact O-N 3.33Å; A1017-T1020 VanDerWaalsContact O-N 3.15Å; L1018-T1020 VanDerWaalsContact C-N 3.33Å |
| 1021 | L | 73.5 | Confident | 87.3 | Confident | 73 Ų | 73 | 44.1 Ų | 44.1 | 38% | 0.382 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -74.2 | -36 | -177.4 | -68.1 | 168.5 | 0 | 0 | 0 | 114.3 | A1017 L1018 W1054 E1057 | A1017-L1021 WeakPolarHBondContact O-CG 3.38Å; A1017-L1021 PolarHBondContact O-N 2.97Å; L1018-L1021 PolarHBondContact O-N 3.05Å; L1021-W1054 HydrophobicContact CD1-CB 4.17Å; L1021-W1054 HydrophobicContact CD1-CG 4.38Å; L1021-E1057 WeakPolarHBondContact CD1-OE2 3.27Å; L1021-E1057 WeakPolarHBondContact CD2-OE2 3.32Å |
| 1022 | Y | 78.8 | Confident | 87.4 | Confident | 73 Ų | 73 | 45 Ų | 45 | 29% | 0.286 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -123.8 | 7 | -169.1 | -56.4 | -69.3 | 0 | 0 | 0 | 114.2 | L1018 N1024 L1050 K1053 | L1018-Y1022 HydrophobicContact CB-CD2 4.34Å; L1018-Y1022 HydrophobicContact CD2-CD2 3.91Å; L1018-Y1022 HydrophobicContact CD2-CE2 3.62Å; L1018-Y1022 WeakPolarHBondContact O-CB 3.42Å; L1018-Y1022 WeakPolarHBondContact O-CD2 3.45Å; L1018-Y1022 PolarHBondContact O-N 3.03Å; Y1022-N1024 PolarHBondContact O-N 3.14Å; Y1022-N1024 VanDerWaalsContact O-N 3.12Å; Y1022-L1050 HydrophobicContact CD1-CD2 3.8Å; Y1022-L1050 HydrophobicContact CD2-CB 4.41Å; Y1022-L1050 HydrophobicContact CD2-CD2 4.26Å; Y1022-L1050 HydrophobicContact CE1-CD2 3.54Å; Y1022-L1050 HydrophobicContact CE2-CB 3.94Å; Y1022-L1050 HydrophobicContact CE2-CD2 4.05Å; Y1022-L1050 HydrophobicContact CG-CD2 4.14Å; Y1022-L1050 PolarHBondContact OH-O 2.99Å; Y1022-K1053 WeakPolarHBondContact OH-CB 3.19Å; Y1022-K1053 WeakPolarHBondContact OH-CD 3.17Å; Y1022-K1053 WeakPolarHBondContact OH-CG 3.28Å |
| 1023 | G | 76.1 | Confident | 87.5 | Confident | 74 Ų | 74 | 49.3 Ų | 49.3 | 76% | 0.763 | 28% | 0.282 | S | S | * | . | S | Bend | trans | 70.2 | 2.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | G1019 | G1019-G1023 VanDerWaalsContact O-CA 3.24Å; G1019-G1023 WeakPolarHBondContact O-CA 3.38Å; G1019-G1023 PolarHBondContact O-N 3.23Å |
| 1024 | N | 76.7 | Confident | 87.7 | Confident | 103 Ų | 103 | 48 Ų | 48 | 55% | 0.551 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -132.7 | 109 | -178.4 | -174.9 | 21.6 | 0 | 0 | 0 | 110.3 | Y1022 F1026 | Y1022-N1024 PolarHBondContact O-N 3.14Å; Y1022-N1024 VanDerWaalsContact O-N 3.12Å; N1024-F1026 WeakPolarHBondContact O-CD2 3.25Å; N1024-F1026 PolarHBondContact O-N 3.17Å; N1024-F1026 VanDerWaalsContact O-N 3.13Å |
| 1025 | V | 77.9 | Confident | 87.8 | Confident | 55 Ų | 55 | 48.9 Ų | 48.9 | 33% | 0.333 | 28% | 0.279 | S | S | . | . | | | trans | -66.8 | 110 | -178.3 | 179.7 | 0 | 0 | 0 | 0 | 109.6 | L1016 | L1016-V1025 HydrophobicContact CD2-CG1 4.4Š|
| 1026 | F | 85.4 | Confident | 88 | Confident | 29 Ų | 29 | 51.1 Ų | 51.1 | 13% | 0.127 | 30% | 0.298 | C | S | . | . | | | trans | -71.4 | 138.4 | 174.9 | -70.8 | -84.9 | 0 | 0 | 0 | 109.7 | G1015 L1018 N1024 T1030 I1031 L1047 L1050 | G1015-F1026 CarbonylContact C-O 3.12Å; G1015-F1026 WeakPolarHBondContact CA-O 3.42Å; G1015-F1026 PolarHBondContact O-N 3.38Å; L1018-F1026 HydrophobicContact CB-CD2 3.57Å; L1018-F1026 HydrophobicContact CB-CE2 4.12Å; L1018-F1026 HydrophobicContact CD1-CB 4.26Å; L1018-F1026 HydrophobicContact CD1-CD2 3.72Å; L1018-F1026 HydrophobicContact CD1-CE2 4.39Å; L1018-F1026 HydrophobicContact CD1-CG 4.17Å; L1018-F1026 HydrophobicContact CG-CD2 4.26Å; N1024-F1026 WeakPolarHBondContact O-CD2 3.25Å; N1024-F1026 PolarHBondContact O-N 3.17Å; N1024-F1026 VanDerWaalsContact O-N 3.13Å; F1026-T1030 HydrophobicContact CD1-CG2 4.17Å; F1026-I1031 HydrophobicContact CB-CD1 4.17Å; F1026-L1047 HydrophobicContact CD1-CD2 3.96Å; F1026-L1047 HydrophobicContact CE1-CD2 3.39Å; F1026-L1047 HydrophobicContact CZ-CD2 3.96Å; F1026-L1050 HydrophobicContact CE2-CD1 4.18Å; F1026-L1050 HydrophobicContact CZ-CD1 3.68Å |
| 1027 | S | 87.1 | Confident | 88.3 | Confident | 31 Ų | 31 | 51.6 Ų | 51.6 | 22% | 0.217 | 30% | 0.3 | C | S | . | . | | | trans | -73 | 144.9 | 176.5 | 79.7 | 0 | 0 | 0 | 0 | 110.4 | T1029 T1030 I1031 | S1027-T1029 PolarHBondContact O-N 2.82Å; S1027-T1029 VanDerWaalsContact O-N 3.15Å; S1027-T1030 WeakPolarHBondContact O-CA 3.42Å; S1027-T1030 WeakPolarHBondContact O-CB 3.36Å; S1027-T1030 PolarHBondContact O-N 2.82Å; S1027-T1030 PolarHBondContact OG-N 3.2Å; S1027-T1030 PolarHBondContact OG-OG1 3.4Å; S1027-I1031 PolarHBondContact O-N 3.21Å; S1027-I1031 VanDerWaalsContact O-N 3.14Å |
| 1028 | Q | 91.7 | Very high | 88.5 | Confident | 96 Ų | 96 | 57.6 Ų | 57.6 | 45% | 0.449 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -46.4 | -41.4 | 166.7 | -173.9 | -160.9 | -3 | 0 | 0 | 111.2 | Q1011 T1030 I1031 C1032 | Q1011-Q1028 HydrophobicContact CB-CB 4.5Å; Q1011-Q1028 HydrophobicContact CB-CG 3.53Å; Q1028-T1030 VanDerWaalsContact C-N 3.28Å; Q1028-T1030 PolarHBondContact O-N 3.44Å; Q1028-I1031 PolarHBondContact O-N 3.04Å; Q1028-C1032 WeakPolarHBondContact O-CB 3.49Å; Q1028-C1032 PolarHBondContact O-N 2.81Å |
| 1029 | T | 93.7 | Very high | 88.7 | Confident | 76 Ų | 76 | 59 Ų | 59 | 47% | 0.466 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.1 | -30.6 | 175.1 | -39.1 | 0 | 0 | 0 | 0 | 113.3 | S1027 R1033 | S1027-T1029 PolarHBondContact O-N 2.82Å; S1027-T1029 VanDerWaalsContact O-N 3.15Å; T1029-R1033 VanDerWaalsContact O-CB 3.31Å; T1029-R1033 WeakPolarHBondContact O-CB 3.09Å; T1029-R1033 WeakPolarHBondContact O-CG 3.42Å; T1029-R1033 PolarHBondContact O-N 3.44Å |
| 1030 | T | 94.1 | Very high | 89 | Confident | 38 Ų | 38 | 61.6 Ų | 61.6 | 23% | 0.233 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71.1 | -45.6 | 173.2 | -49.6 | 0 | 0 | 0 | 0 | 110.7 | F1026 S1027 Q1028 R1033 F1034 L1039 L1047 | F1026-T1030 HydrophobicContact CD1-CG2 4.17Å; S1027-T1030 WeakPolarHBondContact O-CA 3.42Å; S1027-T1030 WeakPolarHBondContact O-CB 3.36Å; S1027-T1030 PolarHBondContact O-N 2.82Å; S1027-T1030 PolarHBondContact OG-N 3.2Å; S1027-T1030 PolarHBondContact OG-OG1 3.4Å; Q1028-T1030 VanDerWaalsContact C-N 3.28Å; Q1028-T1030 PolarHBondContact O-N 3.44Å; T1030-R1033 PolarHBondContact O-N 2.78Å; T1030-F1034 PolarHBondContact O-N 3.28Å; T1030-L1039 HydrophobicContact CG2-CD1 4.47Å; T1030-L1047 HydrophobicContact CG2-CD1 3.98Å |
| 1031 | I | 95.1 | Very high | 89.5 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.015 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 177 | -50.9 | -55.4 | 0 | 0 | 0 | 109.9 | F1000 Q1011 V1014 L1018 F1026 S1027 Q1028 R1033 F1034 E1035 L1051 | F1000-I1031 HydrophobicContact CE1-CG2 3.93Å; F1000-I1031 HydrophobicContact CZ-CG2 4.3Å; Q1011-I1031 HydrophobicContact CB-CB 4.27Å; Q1011-I1031 HydrophobicContact CB-CG2 4.26Å; Q1011-I1031 HydrophobicContact CG-CB 4.44Å; Q1011-I1031 HydrophobicContact CG-CG2 4.07Å; V1014-I1031 HydrophobicContact CG1-CD1 3.84Å; V1014-I1031 HydrophobicContact CG1-CG1 4.21Å; L1018-I1031 HydrophobicContact CD1-CD1 3.88Å; F1026-I1031 HydrophobicContact CB-CD1 4.17Å; S1027-I1031 PolarHBondContact O-N 3.21Å; S1027-I1031 VanDerWaalsContact O-N 3.14Å; Q1028-I1031 PolarHBondContact O-N 3.04Å; I1031-R1033 PolarHBondContact O-N 3.13Å; I1031-F1034 WeakPolarHBondContact O-CB 3.3Å; I1031-F1034 PolarHBondContact O-N 3.02Å; I1031-F1034 VanDerWaalsContact O-N 3.08Å; I1031-E1035 WeakPolarHBondContact O-CG 3.05Å; I1031-E1035 PolarHBondContact O-N 3.36Å; I1031-L1051 HydrophobicContact CD1-CD2 3.94Å |
| 1032 | C | 96.5 | Very high | 90.4 | Very high | 54 Ų | 54 | 65.2 Ų | 65.2 | 37% | 0.365 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.8 | -44.5 | 176.7 | -169.4 | 0 | 0 | 0 | 0 | 112.7 | Q1028 F1034 E1035 A1036 | Q1028-C1032 WeakPolarHBondContact O-CB 3.49Å; Q1028-C1032 PolarHBondContact O-N 2.81Å; C1032-F1034 VanDerWaalsContact C-N 3.31Å; C1032-F1034 PolarHBondContact O-N 3.39Å; C1032-E1035 PolarHBondContact O-N 3.39Å; C1032-A1036 VanDerWaalsContact O-CB 3.3Å; C1032-A1036 WeakPolarHBondContact O-CB 3.09Å; C1032-A1036 PolarHBondContact O-N 3.41Å |
| 1033 | R | 96.6 | Very high | 91 | Very high | 125 Ų | 125 | 65.4 Ų | 65.4 | 47% | 0.472 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.8 | -25.6 | 176.2 | -74.4 | 176.8 | 176.9 | -165 | -2.2 | 113.7 | T1029 T1030 I1031 L1037 Q1038 L1039 | T1029-R1033 VanDerWaalsContact O-CB 3.31Å; T1029-R1033 WeakPolarHBondContact O-CB 3.09Å; T1029-R1033 WeakPolarHBondContact O-CG 3.42Å; T1029-R1033 PolarHBondContact O-N 3.44Å; T1030-R1033 PolarHBondContact O-N 2.78Å; I1031-R1033 PolarHBondContact O-N 3.13Å; R1033-L1037 PolarHBondContact O-N 2.81Å; R1033-Q1038 HydrophobicContact CB-CB 4.16Å; R1033-Q1038 HydrophobicContact CG-CB 4.13Å; R1033-Q1038 PolarHBondContact O-N 3.31Å; R1033-L1039 HydrophobicContact CB-CD2 3.66Å; R1033-L1039 HydrophobicContact CB-CG 3.86Å |
| 1034 | F | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.4 | -49.7 | 170.6 | -173.9 | -84.5 | 0 | 0 | 0 | 110.5 | F996 A997 T1030 I1031 C1032 A1036 L1037 L1039 M1044 L1047 K1048 L1051 | F996-F1034 AromaticContact CD1-CE1 3.61Å; F996-F1034 HydrophobicContact CD1-CE1 3.61Å; F996-F1034 AromaticContact CD1-CZ 3.57Å; F996-F1034 HydrophobicContact CD1-CZ 3.57Å; F996-F1034 AromaticContact CE1-CE1 3.56Å; F996-F1034 HydrophobicContact CE1-CE1 3.56Å; F996-F1034 AromaticContact CE1-CZ 3.6Å; F996-F1034 HydrophobicContact CE1-CZ 3.6Å; A997-F1034 HydrophobicContact CB-CD1 4.36Å; A997-F1034 HydrophobicContact CB-CE1 4.08Å; T1030-F1034 PolarHBondContact O-N 3.28Å; I1031-F1034 WeakPolarHBondContact O-CB 3.3Å; I1031-F1034 PolarHBondContact O-N 3.02Å; I1031-F1034 VanDerWaalsContact O-N 3.08Å; C1032-F1034 VanDerWaalsContact C-N 3.31Å; C1032-F1034 PolarHBondContact O-N 3.39Å; F1034-A1036 PolarHBondContact O-N 3.44Å; F1034-L1037 PolarHBondContact O-N 2.9Å; F1034-L1039 HydrophobicContact CB-CD1 3.99Å; F1034-L1039 HydrophobicContact CD2-CD1 4.25Å; F1034-M1044 HydrophobicContact CD2-CB 4.44Å; F1034-M1044 HydrophobicContact CD2-CG 4.36Å; F1034-M1044 HydrophobicContact CE2-CB 4.02Å; F1034-M1044 HydrophobicContact CE2-CG 4.38Å; F1034-L1047 HydrophobicContact CD2-CB 3.72Å; F1034-L1047 HydrophobicContact CD2-CD1 3.94Å; F1034-L1047 HydrophobicContact CE2-CB 3.72Å; F1034-K1048 HydrophobicContact CZ-CB 4.27Å; F1034-L1051 HydrophobicContact CB-CD1 4.4Å; F1034-L1051 HydrophobicContact CD1-CD1 3.47Å; F1034-L1051 VanDerWaalsContact CD1-CD1 3.47Å; F1034-L1051 HydrophobicContact CD2-CD1 3.75Å; F1034-L1051 HydrophobicContact CE1-CD1 3.53Å; F1034-L1051 HydrophobicContact CE2-CD1 3.79Å; F1034-L1051 HydrophobicContact CG-CD1 3.59Å; F1034-L1051 HydrophobicContact CZ-CD1 3.7Å |
| 1035 | E | 97 | Very high | 92.7 | Very high | 17 Ų | 17 | 58.8 Ų | 58.8 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.6 | -27 | 176.2 | -71 | -176.6 | 170.4 | 0 | 0 | 114 | F1000 K1001 R1004 Q1011 I1031 C1032 | F1000-E1035 HydrophobicContact CD1-CG 4.06Å; F1000-E1035 HydrophobicContact CE1-CG 4.17Å; K1001-E1035 HydrophobicContact CB-CB 4.48Å; K1001-E1035 HydrophobicContact CB-CG 4.02Å; K1001-E1035 HydrophobicContact CD-CB 4.27Å; K1001-E1035 HydrophobicContact CG-CG 4.24Å; R1004-E1035 IonicContact CZ-OE1 3.84Å; R1004-E1035 IonicContact NE-OE1 3.94Å; R1004-E1035 PolarHBondContact NE-OE1 2.95Å; R1004-E1035 VanDerWaalsContact NH2-CD 3.33Å; R1004-E1035 IonicContact NH2-OE1 3.79Å; R1004-E1035 PolarHBondContact NH2-OE1 2.84Å; R1004-E1035 IonicContact NH2-OE2 2.6Å; R1004-E1035 PolarHBondContact NH2-OE2 2.69Å; Q1011-E1035 PolarHBondContact NE2-OE2 2.92Å; I1031-E1035 WeakPolarHBondContact O-CG 3.05Å; I1031-E1035 PolarHBondContact O-N 3.36Å; C1032-E1035 PolarHBondContact O-N 3.39Å |
| 1036 | A | 95.8 | Very high | 93.3 | Very high | 49 Ų | 49 | 62.9 Ų | 62.9 | 41% | 0.405 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 5.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | C1032 F1034 Q1038 | C1032-A1036 VanDerWaalsContact O-CB 3.3Å; C1032-A1036 WeakPolarHBondContact O-CB 3.09Å; C1032-A1036 PolarHBondContact O-N 3.41Å; F1034-A1036 PolarHBondContact O-N 3.44Å; A1036-Q1038 HydrophobicContact CB-CG 3.94Å; A1036-Q1038 WeakPolarHBondContact O-CG 3.09Å; A1036-Q1038 PolarHBondContact O-N 3.04Å; A1036-Q1038 VanDerWaalsContact O-N 3.13Å |
| 1037 | L | 95 | Very high | 93.7 | Very high | 58 Ų | 58 | 62.4 Ų | 62.4 | 30% | 0.304 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 25.5 | -176.7 | -56.7 | 174.4 | 0 | 0 | 0 | 114.6 | E994 A997 R1033 F1034 L1039 M1044 | E994-L1037 HydrophobicContact CB-CD1 3.8Å; E994-L1037 HydrophobicContact CG-CD1 3.83Å; A997-L1037 HydrophobicContact CB-CD2 3.7Å; A997-L1037 HydrophobicContact CB-CG 4.43Å; R1033-L1037 PolarHBondContact O-N 2.81Å; F1034-L1037 PolarHBondContact O-N 2.9Å; L1037-L1039 VanDerWaalsContact C-N 3.33Å; L1037-L1039 PolarHBondContact O-N 2.93Å; L1037-M1044 HydrophobicContact CB-CE 3.92Å; L1037-M1044 HydrophobicContact CD2-CE 4.09Å; L1037-M1044 HydrophobicContact CD2-SD 3.58Å; L1037-M1044 VanDerWaalsContact CD2-SD 3.58Å; L1037-M1044 WeakPolarHBondContact O-CE 3.49Å |
| 1038 | Q | 94.7 | Very high | 94 | Very high | 136 Ų | 136 | 62.6 Ų | 62.6 | 64% | 0.636 | 32% | 0.317 | S | S | * | . | | | trans | -91.1 | 15.7 | -178.6 | -65.5 | 179.7 | 2.6 | 0 | 0 | 114.1 | R1033 A1036 | R1033-Q1038 HydrophobicContact CB-CB 4.16Å; R1033-Q1038 HydrophobicContact CG-CB 4.13Å; R1033-Q1038 PolarHBondContact O-N 3.31Å; A1036-Q1038 HydrophobicContact CB-CG 3.94Å; A1036-Q1038 WeakPolarHBondContact O-CG 3.09Å; A1036-Q1038 PolarHBondContact O-N 3.04Å; A1036-Q1038 VanDerWaalsContact O-N 3.13Å |
| 1039 | L | 92.5 | Very high | 94.1 | Very high | 31 Ų | 31 | 61.7 Ų | 61.7 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -100 | 161.2 | 171 | -61.8 | 178.9 | 0 | 0 | 0 | 109.7 | T1030 R1033 F1034 L1037 N1043 M1044 L1047 | T1030-L1039 HydrophobicContact CG2-CD1 4.47Å; R1033-L1039 HydrophobicContact CB-CD2 3.66Å; R1033-L1039 HydrophobicContact CB-CG 3.86Å; F1034-L1039 HydrophobicContact CB-CD1 3.99Å; F1034-L1039 HydrophobicContact CD2-CD1 4.25Å; L1037-L1039 VanDerWaalsContact C-N 3.33Å; L1037-L1039 PolarHBondContact O-N 2.93Å; L1039-N1043 HydrophobicContact CB-CB 4.27Å; L1039-M1044 HydrophobicContact CB-CG 3.91Å; L1039-M1044 WeakPolarHBondContact O-CE 3.42Å; L1039-L1047 HydrophobicContact CD1-CD1 3.38Å |
| 1040 | S | 92.6 | Very high | 94 | Very high | 66 Ų | 66 | 60.2 Ų | 60.2 | 46% | 0.462 | 31% | 0.309 | S | S | . | . | | | trans | -65.7 | 145.8 | 168.1 | 56.6 | 0 | 0 | 0 | 0 | 109.9 | K1042 N1043 M1044 | S1040-K1042 VanDerWaalsContact C-N 3.26Å; S1040-K1042 PolarHBondContact O-N 3.31Å; S1040-N1043 WeakPolarHBondContact O-CA 3.45Å; S1040-N1043 WeakPolarHBondContact O-CB 3.3Å; S1040-N1043 PolarHBondContact O-N 3.02Å; S1040-N1043 VanDerWaalsContact OG-CG 3.25Å; S1040-N1043 PolarHBondContact OG-ND2 2.85Å; S1040-M1044 PolarHBondContact O-N 2.8Å |
| 1041 | F | 91.7 | Very high | 94.1 | Very high | 100 Ų | 100 | 58.5 Ų | 58.5 | 44% | 0.439 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -44.6 | -51 | 175.7 | 179.7 | -98.1 | 0 | 0 | 0 | 112 | P988 A990 L993 N1043 M1044 C1045 | P988-F1041 VanDerWaalsContact O-CZ 3.25Å; P988-F1041 WeakPolarHBondContact O-CZ 3.37Å; A990-F1041 HydrophobicContact CB-CE2 4.47Å; L993-F1041 HydrophobicContact CD1-CD2 3.47Å; L993-F1041 VanDerWaalsContact CD1-CD2 3.47Å; L993-F1041 HydrophobicContact CD1-CE2 3.46Å; L993-F1041 VanDerWaalsContact CD1-CE2 3.46Å; L993-F1041 HydrophobicContact CD1-CG 4.37Å; L993-F1041 HydrophobicContact CD1-CZ 4.36Å; F1041-N1043 PolarHBondContact O-N 2.78Å; F1041-N1043 VanDerWaalsContact O-N 3.12Å; F1041-M1044 WeakPolarHBondContact O-CA 3.39Å; F1041-M1044 WeakPolarHBondContact O-CB 3.36Å; F1041-M1044 PolarHBondContact O-N 2.69Å; F1041-C1045 VanDerWaalsContact CE1-SG 3.56Å; F1041-C1045 PolarHBondContact O-N 3.41Å; F1041-C1045 PolarHBondContact O-SG 2.76Å |
| 1042 | K | 92 | Very high | 94 | Very high | 155 Ų | 155 | 63.2 Ų | 63.2 | 67% | 0.674 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.9 | -23.2 | 176.6 | -171.1 | 165.4 | -172.6 | 162.8 | 0 | 115.2 | S1040 K1046 | S1040-K1042 VanDerWaalsContact C-N 3.26Å; S1040-K1042 PolarHBondContact O-N 3.31Å; K1042-K1046 WeakPolarHBondContact O-CG 3.37Å |
| 1043 | N | 92.3 | Very high | 93.8 | Very high | 78 Ų | 78 | 65.9 Ų | 65.9 | 42% | 0.417 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -85.2 | -35.4 | 170.8 | -73.7 | -2.1 | 0 | 0 | 0 | 111.5 | L1039 S1040 F1041 K1046 L1047 | L1039-N1043 HydrophobicContact CB-CB 4.27Å; S1040-N1043 WeakPolarHBondContact O-CA 3.45Å; S1040-N1043 WeakPolarHBondContact O-CB 3.3Å; S1040-N1043 PolarHBondContact O-N 3.02Å; S1040-N1043 VanDerWaalsContact OG-CG 3.25Å; S1040-N1043 PolarHBondContact OG-ND2 2.85Å; F1041-N1043 PolarHBondContact O-N 2.78Å; F1041-N1043 VanDerWaalsContact O-N 3.12Å; N1043-K1046 PolarHBondContact O-N 3.21Å; N1043-L1047 WeakPolarHBondContact O-CG 3.32Å; N1043-L1047 PolarHBondContact O-N 3.26Å; N1043-L1047 VanDerWaalsContact O-N 3.13Å |
| 1044 | M | 93.9 | Very high | 93.7 | Very high | 16 Ų | 16 | 60.4 Ų | 60.4 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.4 | -46.9 | 173.8 | -61.3 | -165.1 | -142.1 | 0 | 0 | 111.9 | L993 F1034 L1037 L1039 S1040 F1041 K1046 L1047 K1048 | L993-M1044 HydrophobicContact CB-SD 4.44Å; L993-M1044 HydrophobicContact CD1-CB 3.86Å; L993-M1044 HydrophobicContact CD1-SD 4.43Å; L993-M1044 HydrophobicContact CD2-CB 3.98Å; L993-M1044 HydrophobicContact CG-CB 4.44Å; F1034-M1044 HydrophobicContact CD2-CB 4.44Å; F1034-M1044 HydrophobicContact CD2-CG 4.36Å; F1034-M1044 HydrophobicContact CE2-CB 4.02Å; F1034-M1044 HydrophobicContact CE2-CG 4.38Å; L1037-M1044 HydrophobicContact CB-CE 3.92Å; L1037-M1044 HydrophobicContact CD2-CE 4.09Å; L1037-M1044 HydrophobicContact CD2-SD 3.58Å; L1037-M1044 VanDerWaalsContact CD2-SD 3.58Å; L1037-M1044 WeakPolarHBondContact O-CE 3.49Å; L1039-M1044 HydrophobicContact CB-CG 3.91Å; L1039-M1044 WeakPolarHBondContact O-CE 3.42Å; S1040-M1044 PolarHBondContact O-N 2.8Å; F1041-M1044 WeakPolarHBondContact O-CA 3.39Å; F1041-M1044 WeakPolarHBondContact O-CB 3.36Å; F1041-M1044 PolarHBondContact O-N 2.69Å; M1044-K1046 PolarHBondContact O-N 3.4Å; M1044-K1046 VanDerWaalsContact O-N 3.12Å; M1044-L1047 PolarHBondContact O-N 3.17Å; M1044-K1048 PolarHBondContact O-N 3.34Å |
| 1045 | C | 93.6 | Very high | 93.6 | Very high | 21 Ų | 21 | 60.7 Ų | 60.7 | 14% | 0.142 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.9 | -30.9 | 175.1 | -52.5 | 0 | 0 | 0 | 0 | 112.6 | P988 F1041 P1049 | P988-C1045 HydrophobicContact CG-CB 4.32Å; F1041-C1045 VanDerWaalsContact CE1-SG 3.56Å; F1041-C1045 PolarHBondContact O-N 3.41Å; F1041-C1045 PolarHBondContact O-SG 2.76Å; C1045-P1049 WeakPolarHBondContact O-CD 3.37Å |
| 1046 | K | 91.4 | Very high | 93.3 | Very high | 142 Ų | 142 | 67.9 Ų | 67.9 | 62% | 0.617 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -78.9 | -25.9 | 176 | -75.8 | -178.6 | 171 | -160.2 | 0 | 114.1 | K1042 N1043 M1044 | K1042-K1046 WeakPolarHBondContact O-CG 3.37Å; N1043-K1046 PolarHBondContact O-N 3.21Å; M1044-K1046 PolarHBondContact O-N 3.4Å; M1044-K1046 VanDerWaalsContact O-N 3.12Å |
| 1047 | L | 92.9 | Very high | 93 | Very high | 19 Ų | 19 | 68.3 Ų | 68.3 | 10% | 0.099 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -93 | -32.8 | -178.2 | -70.8 | 172.2 | 0 | 0 | 0 | 112.5 | F1026 T1030 F1034 L1039 N1043 M1044 L1050 L1051 | F1026-L1047 HydrophobicContact CD1-CD2 3.96Å; F1026-L1047 HydrophobicContact CE1-CD2 3.39Å; F1026-L1047 HydrophobicContact CZ-CD2 3.96Å; T1030-L1047 HydrophobicContact CG2-CD1 3.98Å; F1034-L1047 HydrophobicContact CD2-CB 3.72Å; F1034-L1047 HydrophobicContact CD2-CD1 3.94Å; F1034-L1047 HydrophobicContact CE2-CB 3.72Å; L1039-L1047 HydrophobicContact CD1-CD1 3.38Å; N1043-L1047 WeakPolarHBondContact O-CG 3.32Å; N1043-L1047 PolarHBondContact O-N 3.26Å; N1043-L1047 VanDerWaalsContact O-N 3.13Å; M1044-L1047 PolarHBondContact O-N 3.17Å; L1047-L1050 HydrophobicContact CD2-CD1 4.5Å; L1047-L1050 PolarHBondContact O-N 3.34Å; L1047-L1050 VanDerWaalsContact O-N 3.11Å; L1047-L1051 HydrophobicContact CB-CD1 4.02Å; L1047-L1051 WeakPolarHBondContact O-CB 3.48Å; L1047-L1051 WeakPolarHBondContact O-CG 3.09Å; L1047-L1051 PolarHBondContact O-N 2.66Å |
| 1048 | K | 94.5 | Very high | 92.8 | Very high | 34 Ų | 34 | 65.8 Ų | 65.8 | 15% | 0.148 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -49.8 | -49.3 | 178.9 | 173.2 | 166.5 | 176.4 | 177.8 | 0 | 112.4 | P988 D992 L993 F996 F1034 M1044 L1050 L1051 Q1052 | P988-K1048 HydrophobicContact CB-CD 4.41Å; D992-K1048 PolarHBondContact O-NZ 2.6Å; L993-K1048 HydrophobicContact CD2-CB 4.06Å; L993-K1048 HydrophobicContact CD2-CD 3.83Å; F996-K1048 HydrophobicContact CB-CD 3.99Å; F996-K1048 HydrophobicContact CD1-CB 4.17Å; F996-K1048 HydrophobicContact CD1-CD 4.01Å; F996-K1048 HydrophobicContact CD1-CG 3.76Å; F996-K1048 HydrophobicContact CD2-CD 4.31Å; F996-K1048 HydrophobicContact CD2-CG 4.2Å; F996-K1048 HydrophobicContact CE1-CB 4.2Å; F996-K1048 HydrophobicContact CE1-CG 3.95Å; F996-K1048 HydrophobicContact CE2-CG 4.37Å; F996-K1048 HydrophobicContact CG-CD 3.81Å; F996-K1048 HydrophobicContact CG-CG 3.9Å; F996-K1048 HydrophobicContact CZ-CG 4.26Å; F1034-K1048 HydrophobicContact CZ-CB 4.27Å; M1044-K1048 PolarHBondContact O-N 3.34Å; K1048-L1050 PolarHBondContact O-N 2.75Å; K1048-L1051 PolarHBondContact O-N 3.1Å; K1048-Q1052 WeakPolarHBondContact O-CB 3.29Å; K1048-Q1052 PolarHBondContact O-N 2.96Å |
| 1049 | P | 93.2 | Very high | 92.5 | Very high | 77 Ų | 77 | 61.5 Ų | 61.5 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 178.3 | -25 | 35.2 | 0 | 0 | 0 | 114 | C1045 Q1052 K1053 | C1045-P1049 WeakPolarHBondContact O-CD 3.37Å; P1049-Q1052 PolarHBondContact O-N 3.17Å; P1049-K1053 WeakPolarHBondContact O-CB 3.23Å; P1049-K1053 PolarHBondContact O-N 3.48Å |
| 1050 | L | 92.3 | Very high | 92.1 | Very high | 46 Ų | 46 | 64 Ų | 64 | 24% | 0.241 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.6 | -43.3 | -178.7 | -55.6 | 178.7 | 0 | 0 | 0 | 111.5 | Y1022 F1026 L1047 K1048 W1054 | Y1022-L1050 HydrophobicContact CD1-CD2 3.8Å; Y1022-L1050 HydrophobicContact CD2-CB 4.41Å; Y1022-L1050 HydrophobicContact CD2-CD2 4.26Å; Y1022-L1050 HydrophobicContact CE1-CD2 3.54Å; Y1022-L1050 HydrophobicContact CE2-CB 3.94Å; Y1022-L1050 HydrophobicContact CE2-CD2 4.05Å; Y1022-L1050 HydrophobicContact CG-CD2 4.14Å; Y1022-L1050 PolarHBondContact OH-O 2.99Å; F1026-L1050 HydrophobicContact CE2-CD1 4.18Å; F1026-L1050 HydrophobicContact CZ-CD1 3.68Å; L1047-L1050 HydrophobicContact CD2-CD1 4.5Å; L1047-L1050 PolarHBondContact O-N 3.34Å; L1047-L1050 VanDerWaalsContact O-N 3.11Å; K1048-L1050 PolarHBondContact O-N 2.75Å; L1050-W1054 WeakPolarHBondContact O-CB 3.33Å; L1050-W1054 PolarHBondContact O-N 3.42Å; L1050-W1054 VanDerWaalsContact O-N 3.08Å |
| 1051 | L | 95.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.3 | -38.1 | 177.8 | -67 | 170.1 | 0 | 0 | 0 | 111.9 | F996 F1000 V1014 L1018 I1031 F1034 L1047 K1048 L1055 | F996-L1051 HydrophobicContact CE1-CB 3.97Å; F996-L1051 HydrophobicContact CE1-CD1 4.49Å; F996-L1051 HydrophobicContact CZ-CB 3.9Å; F1000-L1051 HydrophobicContact CD2-CB 4.03Å; F1000-L1051 HydrophobicContact CE2-CB 3.9Å; F1000-L1051 HydrophobicContact CE2-CD2 3.77Å; F1000-L1051 HydrophobicContact CE2-CG 4.35Å; F1000-L1051 HydrophobicContact CZ-CD2 3.76Å; V1014-L1051 HydrophobicContact CG1-CD2 4.29Å; L1018-L1051 HydrophobicContact CD1-CD2 3.73Å; I1031-L1051 HydrophobicContact CD1-CD2 3.94Å; F1034-L1051 HydrophobicContact CB-CD1 4.4Å; F1034-L1051 HydrophobicContact CD1-CD1 3.47Å; F1034-L1051 VanDerWaalsContact CD1-CD1 3.47Å; F1034-L1051 HydrophobicContact CD2-CD1 3.75Å; F1034-L1051 HydrophobicContact CE1-CD1 3.53Å; F1034-L1051 HydrophobicContact CE2-CD1 3.79Å; F1034-L1051 HydrophobicContact CG-CD1 3.59Å; F1034-L1051 HydrophobicContact CZ-CD1 3.7Å; L1047-L1051 HydrophobicContact CB-CD1 4.02Å; L1047-L1051 WeakPolarHBondContact O-CB 3.48Å; L1047-L1051 WeakPolarHBondContact O-CG 3.09Å; L1047-L1051 PolarHBondContact O-N 2.66Å; K1048-L1051 PolarHBondContact O-N 3.1Å; L1051-L1055 WeakPolarHBondContact O-CB 3.32Å; L1051-L1055 PolarHBondContact O-N 3.34Å |
| 1052 | Q | 94.3 | Very high | 89.7 | Confident | 101 Ų | 101 | 62.7 Ų | 62.7 | 47% | 0.472 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.9 | -43.4 | 178.8 | -174.7 | 171.6 | -37.2 | 0 | 0 | 111 | F996 K1048 P1049 L1055 Y1056 | F996-Q1052 HydrophobicContact CE2-CB 3.6Å; F996-Q1052 HydrophobicContact CE2-CG 3.93Å; F996-Q1052 HydrophobicContact CZ-CB 3.78Å; K1048-Q1052 WeakPolarHBondContact O-CB 3.29Å; K1048-Q1052 PolarHBondContact O-N 2.96Å; P1049-Q1052 PolarHBondContact O-N 3.17Å; Q1052-L1055 PolarHBondContact O-N 2.92Å; Q1052-Y1056 PolarHBondContact O-N 2.85Å |
| 1053 | K | 92.2 | Very high | 87.8 | Confident | 110 Ų | 110 | 58.9 Ų | 58.9 | 48% | 0.478 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 174.1 | 171.9 | 167.3 | 171.9 | 177.7 | 0 | 112 | Y1022 P1049 L1055 Y1056 E1057 | Y1022-K1053 WeakPolarHBondContact OH-CB 3.19Å; Y1022-K1053 WeakPolarHBondContact OH-CD 3.17Å; Y1022-K1053 WeakPolarHBondContact OH-CG 3.28Å; P1049-K1053 WeakPolarHBondContact O-CB 3.23Å; P1049-K1053 PolarHBondContact O-N 3.48Å; K1053-L1055 VanDerWaalsContact C-N 3.27Å; K1053-L1055 PolarHBondContact O-N 2.89Å; K1053-Y1056 PolarHBondContact O-N 2.95Å; K1053-E1057 WeakPolarHBondContact CE-OE1 3.24Å; K1053-E1057 IonicContact NZ-OE1 3.41Å; K1053-E1057 WeakPolarHBondContact O-CG 3.47Å; K1053-E1057 PolarHBondContact O-N 3.33Å |
| 1054 | W | 93.7 | Very high | 85.7 | Confident | 11 Ų | 11 | 59.6 Ų | 59.6 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.8 | -40.2 | 174.8 | 171.2 | 83 | 0 | 0 | 0 | 111.9 | F1000 R1004 Y1009 V1014 L1018 L1021 L1050 E1057 A1058 | F1000-W1054 AromaticContact CE2-CE3 3.8Å; F1000-W1054 HydrophobicContact CE2-CE3 3.8Å; F1000-W1054 AromaticContact CE2-CZ3 3.82Å; F1000-W1054 HydrophobicContact CE2-CZ3 3.82Å; F1000-W1054 HydrophobicContact CZ-CE3 4.38Å; F1000-W1054 HydrophobicContact CZ-CZ3 4.18Å; R1004-W1054 HydrophobicContact CG-CH2 4.29Å; Y1009-W1054 HydrophobicContact CD1-CZ2 4.24Å; Y1009-W1054 AromaticContact CD2-CH2 3.68Å; Y1009-W1054 HydrophobicContact CD2-CH2 3.68Å; Y1009-W1054 AromaticContact CD2-CZ2 3.7Å; Y1009-W1054 HydrophobicContact CD2-CZ2 3.7Å; Y1009-W1054 HydrophobicContact CE1-CZ2 4.49Å; Y1009-W1054 HydrophobicContact CE2-CH2 4.3Å; Y1009-W1054 HydrophobicContact CE2-CZ2 4.01Å; Y1009-W1054 AromaticContact CG-CH2 3.97Å; Y1009-W1054 HydrophobicContact CG-CH2 3.97Å; Y1009-W1054 AromaticContact CG-CZ2 3.84Å; Y1009-W1054 HydrophobicContact CG-CZ2 3.84Å; V1014-W1054 HydrophobicContact CG1-CD2 4.32Å; V1014-W1054 HydrophobicContact CG1-CE3 4.29Å; V1014-W1054 HydrophobicContact CG1-CZ3 4.49Å; V1014-W1054 HydrophobicContact CG2-CE3 4.34Å; V1014-W1054 HydrophobicContact CG2-CH2 3.43Å; V1014-W1054 VanDerWaalsContact CG2-CH2 3.43Å; V1014-W1054 HydrophobicContact CG2-CZ2 3.64Å; V1014-W1054 HydrophobicContact CG2-CZ3 3.79Å; L1018-W1054 HydrophobicContact CD2-CB 3.55Å; L1018-W1054 HydrophobicContact CD2-CG 3.96Å; L1018-W1054 HydrophobicContact CG-CB 4.48Å; L1018-W1054 HydrophobicContact CG-CG 4.39Å; L1021-W1054 HydrophobicContact CD1-CB 4.17Å; L1021-W1054 HydrophobicContact CD1-CG 4.38Å; L1050-W1054 WeakPolarHBondContact O-CB 3.33Å; L1050-W1054 PolarHBondContact O-N 3.42Å; L1050-W1054 VanDerWaalsContact O-N 3.08Å; W1054-E1057 PolarHBondContact O-N 2.82Å; W1054-A1058 HydrophobicContact CH2-CB 4.1Å; W1054-A1058 HydrophobicContact CZ2-CB 3.94Å; W1054-A1058 VanDerWaalsContact O-CB 3.3Å; W1054-A1058 WeakPolarHBondContact O-CB 3.44Å; W1054-A1058 PolarHBondContact O-N 2.89Å |
| 1055 | L | 94.3 | Very high | 83.4 | Confident | 6 Ų | 6 | 65 Ų | 65 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.8 | -36.1 | -179.2 | -170.7 | 67.7 | 0 | 0 | 0 | 112.2 | M999 F1000 R1003 L1007 L1051 Q1052 K1053 A1058 D1059 | M999-L1055 HydrophobicContact CE-CD2 3.65Å; M999-L1055 HydrophobicContact SD-CD2 3.7Å; F1000-L1055 HydrophobicContact CB-CD2 4.48Å; F1000-L1055 HydrophobicContact CD2-CB 4.43Å; F1000-L1055 HydrophobicContact CD2-CD1 4.49Å; F1000-L1055 HydrophobicContact CD2-CD2 4.1Å; R1003-L1055 HydrophobicContact CB-CD1 3.86Å; R1003-L1055 HydrophobicContact CB-CD2 4.01Å; R1003-L1055 HydrophobicContact CB-CG 4.4Å; R1003-L1055 HydrophobicContact CG-CD1 3.76Å; R1003-L1055 HydrophobicContact CG-CD2 4.13Å; R1003-L1055 HydrophobicContact CG-CG 4.14Å; L1007-L1055 HydrophobicContact CD1-CD1 4.49Å; L1051-L1055 WeakPolarHBondContact O-CB 3.32Å; L1051-L1055 PolarHBondContact O-N 3.34Å; Q1052-L1055 PolarHBondContact O-N 2.92Å; K1053-L1055 VanDerWaalsContact C-N 3.27Å; K1053-L1055 PolarHBondContact O-N 2.89Å; L1055-A1058 PolarHBondContact O-N 3.45Å; L1055-D1059 WeakPolarHBondContact O-CB 3.5Å; L1055-D1059 PolarHBondContact O-N 2.83Å |
| 1056 | Y | 92.2 | Very high | 81.3 | Confident | 168 Ų | 168 | 69.6 Ų | 69.6 | 66% | 0.659 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.1 | -46.5 | 172 | -179.4 | -93.5 | 0 | 0 | 0 | 111.6 | Q1052 K1053 A1058 D1059 C1060 | Q1052-Y1056 PolarHBondContact O-N 2.85Å; K1053-Y1056 PolarHBondContact O-N 2.95Å; Y1056-A1058 VanDerWaalsContact C-N 3.31Å; Y1056-A1058 PolarHBondContact O-N 3.44Å; Y1056-D1059 PolarHBondContact O-N 2.87Å; Y1056-C1060 WeakPolarHBondContact O-CB 3.26Å; Y1056-C1060 PolarHBondContact O-N 3.33Å; Y1056-C1060 PolarHBondContact O-SG 2.68Å |
| 1057 | E | 89.5 | Confident | 79.4 | Confident | 58 Ų | 58 | 66.1 Ų | 66.1 | 27% | 0.271 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 175.4 | -70.6 | 169.7 | 172 | 0 | 0 | 111.9 | L1021 K1053 W1054 S1061 | L1021-E1057 WeakPolarHBondContact CD1-OE2 3.27Å; L1021-E1057 WeakPolarHBondContact CD2-OE2 3.32Å; K1053-E1057 WeakPolarHBondContact CE-OE1 3.24Å; K1053-E1057 IonicContact NZ-OE1 3.41Å; K1053-E1057 WeakPolarHBondContact O-CG 3.47Å; K1053-E1057 PolarHBondContact O-N 3.33Å; W1054-E1057 PolarHBondContact O-N 2.82Å; E1057-S1061 VanDerWaalsContact O-CB 3.31Å; E1057-S1061 WeakPolarHBondContact O-CB 3.42Å; E1057-S1061 PolarHBondContact O-N 2.92Å; E1057-S1061 PolarHBondContact O-OG 3.05Å |
| 1058 | A | 89.6 | Confident | 77.6 | Confident | 5 Ų | 5 | 69.5 Ų | 69.5 | 4% | 0.041 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.9 | -45.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1007 Y1009 W1054 L1055 Y1056 C1060 S1061 T1062 | L1007-A1058 HydrophobicContact CD1-CB 3.68Å; Y1009-A1058 HydrophobicContact CE2-CB 4.01Å; W1054-A1058 HydrophobicContact CH2-CB 4.1Å; W1054-A1058 HydrophobicContact CZ2-CB 3.94Å; W1054-A1058 VanDerWaalsContact O-CB 3.3Å; W1054-A1058 WeakPolarHBondContact O-CB 3.44Å; W1054-A1058 PolarHBondContact O-N 2.89Å; L1055-A1058 PolarHBondContact O-N 3.45Å; Y1056-A1058 VanDerWaalsContact C-N 3.31Å; Y1056-A1058 PolarHBondContact O-N 3.44Å; A1058-C1060 VanDerWaalsContact C-N 3.34Å; A1058-C1060 PolarHBondContact O-N 3.48Å; A1058-S1061 PolarHBondContact O-N 2.92Å; A1058-T1062 PolarHBondContact O-N 3.48Å; A1058-T1062 PolarHBondContact O-OG1 3.47Å |
| 1059 | D | 87.9 | Confident | 75.5 | Confident | 46 Ų | 46 | 73 Ų | 73 | 25% | 0.246 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.1 | -45.6 | 174.3 | -94.7 | -2.4 | 0 | 0 | 0 | 110.9 | R1003 L1055 Y1056 S1061 T1062 | R1003-D1059 IonicContact CZ-OD1 2.59Å; R1003-D1059 IonicContact CZ-OD2 3.18Å; R1003-D1059 VanDerWaalsContact NE-CG 3.29Å; R1003-D1059 IonicContact NE-OD1 2.69Å; R1003-D1059 PolarHBondContact NE-OD1 2.59Å; R1003-D1059 IonicContact NE-OD2 3.02Å; R1003-D1059 PolarHBondContact NE-OD2 3.08Å; R1003-D1059 VanDerWaalsContact NH2-CG 3.3Å; R1003-D1059 IonicContact NH2-OD1 2.8Å; R1003-D1059 PolarHBondContact NH2-OD1 2.97Å; R1003-D1059 IonicContact NH2-OD2 3.54Å; R1003-D1059 PolarHBondContact NH2-OD2 2.89Å; L1055-D1059 WeakPolarHBondContact O-CB 3.5Å; L1055-D1059 PolarHBondContact O-N 2.83Å; Y1056-D1059 PolarHBondContact O-N 2.87Å; D1059-S1061 VanDerWaalsContact C-N 3.32Å; D1059-S1061 PolarHBondContact O-N 2.88Å; D1059-T1062 WeakPolarHBondContact O-CB 3.3Å; D1059-T1062 PolarHBondContact O-N 3.17Å; D1059-T1062 PolarHBondContact O-OG1 2.9Å |
| 1060 | C | 84.6 | Confident | 73.6 | Confident | 83 Ų | 83 | 76.2 Ų | 76.2 | 56% | 0.561 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.9 | -33.7 | 176.8 | -65.4 | 0 | 0 | 0 | 0 | 113 | Y1056 A1058 T1062 | Y1056-C1060 WeakPolarHBondContact O-CB 3.26Å; Y1056-C1060 PolarHBondContact O-N 3.33Å; Y1056-C1060 PolarHBondContact O-SG 2.68Å; A1058-C1060 VanDerWaalsContact C-N 3.34Å; A1058-C1060 PolarHBondContact O-N 3.48Å; C1060-T1062 VanDerWaalsContact C-N 3.26Å; C1060-T1062 PolarHBondContact O-N 2.99Å |
| 1061 | S | 72.8 | Confident | 71.9 | Confident | 59 Ų | 59 | 76.1 Ų | 76.1 | 41% | 0.413 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -77 | -7.9 | -178.4 | -60.4 | 0 | 0 | 0 | 0 | 114.2 | E1057 A1058 D1059 G1063 T1064 | E1057-S1061 VanDerWaalsContact O-CB 3.31Å; E1057-S1061 WeakPolarHBondContact O-CB 3.42Å; E1057-S1061 PolarHBondContact O-N 2.92Å; E1057-S1061 PolarHBondContact O-OG 3.05Å; A1058-S1061 PolarHBondContact O-N 2.92Å; D1059-S1061 VanDerWaalsContact C-N 3.32Å; D1059-S1061 PolarHBondContact O-N 2.88Å; S1061-G1063 PolarHBondContact O-N 3.34Å; S1061-G1063 VanDerWaalsContact O-N 3.1Å; S1061-T1064 PolarHBondContact O-N 3.41Å |
| 1062 | T | 60.4 | Low | 70 | Confident | 80 Ų | 80 | 80.1 Ų | 80.1 | 49% | 0.491 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -8.1 | -169.1 | -63 | 0 | 0 | 0 | 0 | 114 | L1007 A1058 D1059 C1060 T1064 | L1007-T1062 HydrophobicContact CD2-CG2 4.02Å; L1007-T1062 VanDerWaalsContact CD2-OG1 3.31Å; L1007-T1062 WeakPolarHBondContact CD2-OG1 3.46Å; A1058-T1062 PolarHBondContact O-N 3.48Å; A1058-T1062 PolarHBondContact O-OG1 3.47Å; D1059-T1062 WeakPolarHBondContact O-CB 3.3Å; D1059-T1062 PolarHBondContact O-N 3.17Å; D1059-T1062 PolarHBondContact O-OG1 2.9Å; C1060-T1062 VanDerWaalsContact C-N 3.26Å; C1060-T1062 PolarHBondContact O-N 2.99Å; T1062-T1064 VanDerWaalsContact C-N 3.33Å; T1062-T1064 PolarHBondContact O-N 3.17Å |
| 1063 | G | 53.9 | Low | 68 | Low | 75 Ų | 75 | 80.4 Ų | 80.4 | 77% | 0.773 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -14.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116 | S1061 | S1061-G1063 PolarHBondContact O-N 3.34Å; S1061-G1063 VanDerWaalsContact O-N 3.1Å |
| 1064 | T | 46.8 | Very low | 66.2 | Low | 93 Ų | 93 | 81.2 Ų | 81.2 | 57% | 0.571 | 46% | 0.455 | S | S | * | . | | | trans | -132.7 | 112.5 | 179.3 | 58 | 0 | 0 | 0 | 0 | 112.1 | S1061 T1062 N1066 | S1061-T1064 PolarHBondContact O-N 3.41Å; T1062-T1064 VanDerWaalsContact C-N 3.33Å; T1062-T1064 PolarHBondContact O-N 3.17Å; T1064-N1066 PolarHBondContact O-N 2.67Å |
| 1065 | T | 45.3 | Very low | 63.7 | Low | 128 Ų | 128 | 84 Ų | 84 | 79% | 0.785 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 9.1 | -171.1 | 47.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1066 | N | 50.5 | Low | 61.6 | Low | 118 Ų | 118 | 94.3 Ų | 94.3 | 63% | 0.631 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | 14.6 | -161.3 | -57.3 | 3.7 | 0 | 0 | 0 | 113.6 | T1064 | T1064-N1066 PolarHBondContact O-N 2.67Š|
| 1067 | N | 52.1 | Low | 59.6 | Low | 70 Ų | 70 | 96.2 Ų | 96.2 | 37% | 0.374 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -105.3 | -8.8 | -179 | -90.5 | -31.1 | 0 | 0 | 0 | 114.6 | D1069 K1070 | N1067-D1069 PolarHBondContact O-N 2.6Å; N1067-K1070 PolarHBondContact O-N 2.88Å |
| 1068 | L | 53.9 | Low | 57.8 | Low | 90 Ų | 90 | 100.2 Ų | 100.2 | 47% | 0.471 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.4 | -40.7 | -178 | -168.7 | 63.2 | 0 | 0 | 0 | 111.9 | Y1009 K1070 I1071 T1072 | Y1009-L1068 HydrophobicContact CD1-CD1 4.34Å; Y1009-L1068 HydrophobicContact CE1-CD1 4.06Å; L1068-K1070 PolarHBondContact O-N 3.16Å; L1068-K1070 VanDerWaalsContact O-N 3.17Å; L1068-I1071 PolarHBondContact O-N 3.26Å; L1068-T1072 PolarHBondContact O-N 2.81Å |
| 1069 | D | 51.6 | Low | 56.2 | Low | 108 Ų | 108 | 108.3 Ų | 108.3 | 58% | 0.578 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.1 | -24.5 | -177.1 | -49.1 | -47.4 | 0 | 0 | 0 | 113.5 | N1067 T1073 | N1067-D1069 PolarHBondContact O-N 2.6Å; D1069-T1073 WeakPolarHBondContact O-CG2 3.37Å; D1069-T1073 PolarHBondContact O-OG1 3.45Å |
| 1070 | K | 51.9 | Low | 54.7 | Low | 144 Ų | 144 | 114.9 Ų | 114.9 | 63% | 0.626 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -83.5 | -15.6 | 178.9 | -64.7 | -176.8 | -180 | 176.2 | 0 | 113.7 | N1067 L1068 | N1067-K1070 PolarHBondContact O-N 2.88Å; L1068-K1070 PolarHBondContact O-N 3.16Å; L1068-K1070 VanDerWaalsContact O-N 3.17Å |
| 1071 | I | 57.7 | Low | 53.8 | Low | 43 Ų | 43 | 122.2 Ų | 122.2 | 22% | 0.221 | 63% | 0.627 | C | S | . | * | H | α-helix | trans | -95.1 | -40.2 | -179.2 | -60.1 | 172.7 | 0 | 0 | 0 | 110.4 | Y1009 A1017 L1068 T1073 | Y1009-I1071 HydrophobicContact CE1-CD1 4.24Å; A1017-I1071 HydrophobicContact CB-CG2 4.31Å; L1068-I1071 PolarHBondContact O-N 3.26Å; I1071-T1073 VanDerWaalsContact C-N 3.35Å; I1071-T1073 PolarHBondContact O-N 3.29Å |
| 1072 | T | 55.6 | Low | 54 | Low | 87 Ų | 87 | 122.9 Ų | 122.9 | 53% | 0.534 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -68.7 | -29.5 | -178.6 | -168.9 | 0 | 0 | 0 | 0 | 113.6 | L1068 | L1068-T1072 PolarHBondContact O-N 2.81Å |
| 1073 | T | 51.3 | Low | 55 | Low | 106 Ų | 106 | 123.8 Ų | 123.8 | 65% | 0.65 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -12.9 | -172.6 | 43.6 | 0 | 0 | 0 | 0 | 115.6 | D1069 I1071 G1075 | D1069-T1073 WeakPolarHBondContact O-CG2 3.37Å; D1069-T1073 PolarHBondContact O-OG1 3.45Å; I1071-T1073 VanDerWaalsContact C-N 3.35Å; I1071-T1073 PolarHBondContact O-N 3.29Å; T1073-G1075 VanDerWaalsContact C-N 3.33Å; T1073-G1075 PolarHBondContact O-N 2.91Å |
| 1074 | Q | 54.3 | Low | 56.5 | Low | 127 Ų | 127 | 122.1 Ų | 122.1 | 59% | 0.593 | 61% | 0.612 | S | S | * | * | | | trans | -84.8 | 71.1 | -179 | -65.1 | -158.9 | 4.2 | 0 | 0 | 112.7 | R1076 | Q1074-R1076 PolarHBondContact O-N 2.95Š|
| 1075 | G | 42.4 | Very low | 58.6 | Low | 71 Ų | 71 | 124.5 Ų | 124.5 | 73% | 0.732 | 62% | 0.616 | S | S | * | * | | | trans | -66.6 | 50.7 | 180 | 0 | 0 | 0 | 0 | 0 | 116.2 | T1073 K1077 | T1073-G1075 VanDerWaalsContact C-N 3.33Å; T1073-G1075 PolarHBondContact O-N 2.91Å; G1075-K1077 PolarHBondContact O-N 2.83Å; G1075-K1077 VanDerWaalsContact O-N 3.13Å |
| 1076 | R | 49.8 | Very low | 60.7 | Low | 222 Ų | 222 | 123.7 Ų | 123.7 | 84% | 0.838 | 61% | 0.606 | S | S | * | * | | | trans | -72.4 | 106.7 | -177.7 | -154.4 | 174 | -167.5 | -175 | 4.6 | 110.7 | Q1074 R1078 | Q1074-R1076 PolarHBondContact O-N 2.95Å; R1076-R1078 PolarHBondContact O-N 2.83Å; R1076-R1078 VanDerWaalsContact O-N 3.08Å |
| 1077 | K | 50 | Low | 62.7 | Low | 208 Ų | 208 | 120.3 Ų | 120.3 | 90% | 0.904 | 60% | 0.599 | S | S | * | * | | | trans | -47.6 | 111.6 | -171.9 | -67.7 | -178.2 | 179.1 | 178.5 | 0 | 112.9 | G1075 K1079 | G1075-K1077 PolarHBondContact O-N 2.83Å; G1075-K1077 VanDerWaalsContact O-N 3.13Å; K1077-K1079 PolarHBondContact O-N 3.25Å |
| 1078 | R | 50.9 | Low | 64.6 | Low | 142 Ų | 142 | 118.2 Ų | 118.2 | 54% | 0.536 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 128.5 | 175.9 | -156.8 | -174.1 | -164 | 116.3 | -38.4 | 109.6 | R1076 K1080 | R1076-R1078 PolarHBondContact O-N 2.83Å; R1076-R1078 VanDerWaalsContact O-N 3.08Å; R1078-K1080 PolarHBondContact O-N 3.28Å; R1078-K1080 VanDerWaalsContact O-N 3.1Å |
| 1079 | K | 56.8 | Low | 66.5 | Low | 175 Ų | 175 | 117.5 Ų | 117.5 | 76% | 0.761 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 118.7 | -176.6 | -172.8 | 172.1 | 179.9 | 178.3 | 0 | 110.4 | K1077 R1081 | K1077-K1079 PolarHBondContact O-N 3.25Å; K1079-R1081 PolarHBondContact O-N 3.01Å |
| 1080 | K | 55.6 | Low | 68.5 | Low | 184 Ų | 184 | 113.7 Ų | 113.7 | 80% | 0.8 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 132.2 | -178.6 | -172.3 | 174.9 | -178.6 | 177.1 | 0 | 109.4 | R1078 T1082 | R1078-K1080 PolarHBondContact O-N 3.28Å; R1078-K1080 VanDerWaalsContact O-N 3.1Å; K1080-T1082 PolarHBondContact O-N 3.47Å |
| 1081 | R | 66.5 | Low | 70.5 | Confident | 236 Ų | 236 | 110.9 Ų | 110.9 | 89% | 0.891 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 124.6 | 175.9 | 179.9 | -176.4 | -178 | -173.9 | 1 | 108.8 | K1079 S1083 | K1079-R1081 PolarHBondContact O-N 3.01Å; R1081-S1083 PolarHBondContact O-N 3.01Å |
| 1082 | T | 76.4 | Confident | 72.4 | Confident | 74 Ų | 74 | 108.8 Ų | 108.8 | 45% | 0.454 | 55% | 0.548 | S | S | . | . | | | trans | -59.3 | 113.7 | 178.2 | -40.3 | 0 | 0 | 0 | 0 | 110.7 | K1080 V1120 | K1080-T1082 PolarHBondContact O-N 3.47Å; T1082-V1120 HydrophobicContact CG2-CG1 3.99Å; T1082-V1120 HydrophobicContact CG2-CG2 3.95Å |
| 1083 | S | 81.1 | Confident | 74.3 | Confident | 98 Ų | 98 | 106.8 Ų | 106.8 | 69% | 0.685 | 53% | 0.533 | S | S | * | . | | | trans | -76.2 | 127.5 | 165.2 | 43.4 | 0 | 0 | 0 | 0 | 108.7 | R1081 | R1081-S1083 PolarHBondContact O-N 3.01Š|
| 1084 | I | 86.5 | Confident | 76.3 | Confident | 41 Ų | 41 | 106.7 Ų | 106.7 | 21% | 0.21 | 53% | 0.528 | C | S | . | . | | | trans | -106.7 | 120 | 171.1 | -63.1 | 167.4 | 0 | 0 | 0 | 106.1 | V1088 K1089 L1092 V1120 W1124 | I1084-V1088 HydrophobicContact CG2-CB 4.09Å; I1084-V1088 HydrophobicContact CG2-CG1 3.79Å; I1084-K1089 HydrophobicContact CG2-CB 4.2Å; I1084-L1092 HydrophobicContact CG2-CD1 3.92Å; I1084-V1120 HydrophobicContact CD1-CG1 3.77Å; I1084-V1120 HydrophobicContact CG1-CG1 4.03Å; I1084-W1124 HydrophobicContact CD1-CB 4.25Å; I1084-W1124 HydrophobicContact CD1-CG 4.19Å |
| 1085 | E | 90.1 | Very high | 78.2 | Confident | 143 Ų | 143 | 102.7 Ų | 102.7 | 67% | 0.668 | 51% | 0.51 | S | S | * | . | | | trans | -59.6 | 155.2 | -178.5 | -61.6 | -177.1 | 177.6 | 0 | 0 | 112.3 | G1087 V1088 K1089 | E1085-G1087 VanDerWaalsContact C-N 3.31Å; E1085-G1087 PolarHBondContact O-N 3.48Å; E1085-V1088 HydrophobicContact CB-CB 4.3Å; E1085-V1088 HydrophobicContact CB-CG2 4.1Å; E1085-V1088 PolarHBondContact O-N 2.88Å; E1085-K1089 VanDerWaalsContact O-CB 3.26Å; E1085-K1089 WeakPolarHBondContact O-CB 3.49Å; E1085-K1089 PolarHBondContact O-N 3.44Å |
| 1086 | I | 89.9 | Confident | 80.8 | Confident | 110 Ų | 110 | 99.8 Ų | 99.8 | 56% | 0.564 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.6 | -31.8 | -174.9 | -162.1 | 164.4 | 0 | 0 | 0 | 112.9 | G1090 Y1394 | I1086-G1090 PolarHBondContact O-N 3.47Å; I1086-Y1394 HydrophobicContact CB-CE1 4.47Å; I1086-Y1394 HydrophobicContact CD1-CE1 4.3Å |
| 1087 | G | 91.4 | Very high | 82.9 | Confident | 48 Ų | 48 | 95.4 Ų | 95.4 | 50% | 0.495 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.1 | -51 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1085 K1089 G1090 I1091 | E1085-G1087 VanDerWaalsContact C-N 3.31Å; E1085-G1087 PolarHBondContact O-N 3.48Å; G1087-K1089 VanDerWaalsContact C-N 3.3Å; G1087-K1089 PolarHBondContact O-N 2.73Å; G1087-G1090 WeakPolarHBondContact O-CA 3.15Å; G1087-G1090 PolarHBondContact O-N 3.31Å; G1087-I1091 PolarHBondContact O-N 3.41Å; G1087-I1091 VanDerWaalsContact O-N 3.08Å |
| 1088 | V | 93.6 | Very high | 84.9 | Confident | 25 Ų | 25 | 93.7 Ų | 93.7 | 15% | 0.152 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -57.2 | -43.1 | 175.1 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | I1084 E1085 G1090 I1091 L1092 L1114 L1116 | I1084-V1088 HydrophobicContact CG2-CB 4.09Å; I1084-V1088 HydrophobicContact CG2-CG1 3.79Å; E1085-V1088 HydrophobicContact CB-CB 4.3Å; E1085-V1088 HydrophobicContact CB-CG2 4.1Å; E1085-V1088 PolarHBondContact O-N 2.88Å; V1088-G1090 VanDerWaalsContact C-N 3.33Å; V1088-G1090 PolarHBondContact O-N 3.28Å; V1088-I1091 PolarHBondContact O-N 3.14Å; V1088-L1092 HydrophobicContact CG1-CD1 4.19Å; V1088-L1092 WeakPolarHBondContact O-CG 3.5Å; V1088-L1092 PolarHBondContact O-N 3.13Å; V1088-L1114 HydrophobicContact CG1-CB 4.18Å; V1088-L1114 HydrophobicContact CG1-CD1 4.07Å; V1088-L1114 HydrophobicContact CG1-CD2 4.21Å; V1088-L1114 HydrophobicContact CG1-CG 4.39Å; V1088-L1116 HydrophobicContact CG1-CD1 3.63Å; V1088-L1116 HydrophobicContact CG1-CG 4.14Å |
| 1089 | K | 93.2 | Very high | 86.8 | Confident | 75 Ų | 75 | 90.9 Ų | 90.9 | 33% | 0.326 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59 | -40.3 | 171.8 | 176.2 | -177.5 | 167.9 | -68.6 | 0 | 112.2 | I1084 E1085 G1087 L1092 E1093 | I1084-K1089 HydrophobicContact CG2-CB 4.2Å; E1085-K1089 VanDerWaalsContact O-CB 3.26Å; E1085-K1089 WeakPolarHBondContact O-CB 3.49Å; E1085-K1089 PolarHBondContact O-N 3.44Å; G1087-K1089 VanDerWaalsContact C-N 3.3Å; G1087-K1089 PolarHBondContact O-N 2.73Å; K1089-L1092 PolarHBondContact O-N 2.91Å; K1089-E1093 IonicContact NZ-OE1 3.17Å; K1089-E1093 IonicContact NZ-OE2 2.92Å; K1089-E1093 PolarHBondContact NZ-OE2 3.21Å; K1089-E1093 WeakPolarHBondContact O-CG 3.35Å; K1089-E1093 PolarHBondContact O-N 2.77Å |
| 1090 | G | 94.2 | Very high | 88.5 | Confident | 28 Ų | 28 | 85.1 Ų | 85.1 | 29% | 0.289 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1086 G1087 V1088 E1093 N1094 | I1086-G1090 PolarHBondContact O-N 3.47Å; G1087-G1090 WeakPolarHBondContact O-CA 3.15Å; G1087-G1090 PolarHBondContact O-N 3.31Å; V1088-G1090 VanDerWaalsContact C-N 3.33Å; V1088-G1090 PolarHBondContact O-N 3.28Å; G1090-E1093 PolarHBondContact O-N 2.93Å; G1090-N1094 PolarHBondContact O-N 2.66Å |
| 1091 | I | 94 | Very high | 90.4 | Very high | 85 Ų | 85 | 84.6 Ų | 84.6 | 44% | 0.436 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 176.1 | -57.8 | 165.5 | 0 | 0 | 0 | 110.6 | G1087 V1088 E1093 N1094 H1095 L1110 L1114 | G1087-I1091 PolarHBondContact O-N 3.41Å; G1087-I1091 VanDerWaalsContact O-N 3.08Å; V1088-I1091 PolarHBondContact O-N 3.14Å; I1091-E1093 VanDerWaalsContact C-N 3.34Å; I1091-E1093 PolarHBondContact O-N 3.39Å; I1091-N1094 PolarHBondContact O-N 2.84Å; I1091-H1095 PolarHBondContact O-N 2.86Å; I1091-L1110 HydrophobicContact CG2-CD1 4.47Å; I1091-L1114 HydrophobicContact CB-CD2 3.96Å; I1091-L1114 HydrophobicContact CD1-CD2 3.65Å; I1091-L1114 HydrophobicContact CG1-CD2 4.42Å; I1091-L1114 HydrophobicContact CG2-CD2 3.87Å |
| 1092 | L | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.7 | -40.8 | 174 | -71.8 | 167.6 | 0 | 0 | 0 | 112.2 | I1084 V1088 K1089 H1095 F1096 L1110 L1114 L1116 V1121 W1124 F1125 | I1084-L1092 HydrophobicContact CG2-CD1 3.92Å; V1088-L1092 HydrophobicContact CG1-CD1 4.19Å; V1088-L1092 WeakPolarHBondContact O-CG 3.5Å; V1088-L1092 PolarHBondContact O-N 3.13Å; K1089-L1092 PolarHBondContact O-N 2.91Å; L1092-H1095 PolarHBondContact O-N 3.49Å; L1092-F1096 VanDerWaalsContact O-CB 3.29Å; L1092-F1096 WeakPolarHBondContact O-CB 2.95Å; L1092-F1096 PolarHBondContact O-N 2.85Å; L1092-L1110 HydrophobicContact CD2-CD2 3.99Å; L1092-L1110 HydrophobicContact CD2-CG 4.26Å; L1092-L1114 HydrophobicContact CD1-CD1 4.36Å; L1092-L1114 HydrophobicContact CD2-CD1 3.56Å; L1092-L1114 HydrophobicContact CG-CD1 3.66Å; L1092-L1116 HydrophobicContact CD1-CD1 4.17Å; L1092-V1121 HydrophobicContact CD2-CG1 4.02Å; L1092-V1121 HydrophobicContact CD2-CG2 4.46Å; L1092-W1124 HydrophobicContact CB-CD2 3.93Å; L1092-W1124 HydrophobicContact CB-CE3 3.84Å; L1092-W1124 HydrophobicContact CB-CH2 3.73Å; L1092-W1124 HydrophobicContact CB-CZ2 3.78Å; L1092-W1124 HydrophobicContact CB-CZ3 3.75Å; L1092-W1124 HydrophobicContact CD1-CD2 3.96Å; L1092-W1124 HydrophobicContact CD1-CE3 4.44Å; L1092-W1124 HydrophobicContact CD1-CG 4Å; L1092-W1124 HydrophobicContact CD2-CD2 4.48Å; L1092-W1124 HydrophobicContact CD2-CE3 4.16Å; L1092-W1124 HydrophobicContact CG-CD2 4.36Å; L1092-W1124 HydrophobicContact CG-CE3 4.38Å; L1092-W1124 VanDerWaalsContact O-CH2 3.3Å; L1092-W1124 WeakPolarHBondContact O-CH2 3.4Å; L1092-W1124 WeakPolarHBondContact O-CZ3 3.46Å; L1092-F1125 HydrophobicContact CD2-CE2 3.89Å |
| 1093 | E | 95.8 | Very high | 92.5 | Very high | 44 Ų | 44 | 76.3 Ų | 76.3 | 21% | 0.206 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -69.4 | -36.7 | 176.2 | -70.9 | -170.7 | 129.1 | 0 | 0 | 112.9 | K1089 G1090 I1091 F1096 I1097 W1124 R1128 | K1089-E1093 IonicContact NZ-OE1 3.17Å; K1089-E1093 IonicContact NZ-OE2 2.92Å; K1089-E1093 PolarHBondContact NZ-OE2 3.21Å; K1089-E1093 WeakPolarHBondContact O-CG 3.35Å; K1089-E1093 PolarHBondContact O-N 2.77Å; G1090-E1093 PolarHBondContact O-N 2.93Å; I1091-E1093 VanDerWaalsContact C-N 3.34Å; I1091-E1093 PolarHBondContact O-N 3.39Å; E1093-F1096 WeakPolarHBondContact O-CB 3.25Å; E1093-F1096 PolarHBondContact O-N 3.17Å; E1093-I1097 WeakPolarHBondContact O-CG1 2.99Å; E1093-I1097 PolarHBondContact O-N 3.19Å; E1093-I1097 VanDerWaalsContact O-N 3.09Å; E1093-W1124 HydrophobicContact CB-CH2 4.47Å; E1093-W1124 HydrophobicContact CG-CH2 3.73Å; E1093-W1124 HydrophobicContact CG-CZ2 3.49Å; E1093-W1124 VanDerWaalsContact CG-CZ2 3.49Å; E1093-R1128 IonicContact OE1-CZ 2.95Å; E1093-R1128 IonicContact OE1-NE 2.64Å; E1093-R1128 PolarHBondContact OE1-NE 3.35Å; E1093-R1128 IonicContact OE1-NH2 2.76Å |
| 1094 | N | 94.3 | Very high | 93.1 | Very high | 104 Ų | 104 | 74.9 Ų | 74.9 | 56% | 0.556 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -64.8 | -41.4 | 172.2 | -72.6 | -19.6 | 0 | 0 | 0 | 112.1 | G1090 I1091 F1096 I1097 K1098 | G1090-N1094 PolarHBondContact O-N 2.66Å; I1091-N1094 PolarHBondContact O-N 2.84Å; N1094-F1096 VanDerWaalsContact C-N 3.35Å; N1094-I1097 PolarHBondContact O-N 2.89Å; N1094-K1098 PolarHBondContact O-N 3.41Å |
| 1095 | H | 94.2 | Very high | 93.5 | Very high | 44 Ų | 44 | 78.2 Ų | 78.2 | 20% | 0.204 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.8 | -32.9 | 175.7 | -161.6 | -54.8 | 0 | 0 | 0 | 112.1 | I1091 L1092 I1097 K1098 Q1099 L1110 F1125 | I1091-H1095 PolarHBondContact O-N 2.86Å; L1092-H1095 PolarHBondContact O-N 3.49Å; H1095-I1097 VanDerWaalsContact C-N 3.35Å; H1095-K1098 PolarHBondContact O-N 3Å; H1095-Q1099 PolarHBondContact CE1-OE1 3.38Å; H1095-Q1099 PolarHBondContact O-N 3.39Å; H1095-L1110 HydrophobicContact CB-CD2 3.97Å; H1095-F1125 HydrophobicContact CB-CZ 4.11Å; H1095-F1125 AromaticContact ND1-CZ 3.86Å |
| 1096 | F | 95.7 | Very high | 93.7 | Very high | 9 Ų | 9 | 72.8 Ų | 72.8 | 4% | 0.039 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64 | -37.1 | 174.2 | -173.6 | -87.5 | 0 | 0 | 0 | 113.1 | L1092 E1093 N1094 Q1099 P1100 W1124 F1125 R1128 R1129 Q1132 | L1092-F1096 VanDerWaalsContact O-CB 3.29Å; L1092-F1096 WeakPolarHBondContact O-CB 2.95Å; L1092-F1096 PolarHBondContact O-N 2.85Å; E1093-F1096 WeakPolarHBondContact O-CB 3.25Å; E1093-F1096 PolarHBondContact O-N 3.17Å; N1094-F1096 VanDerWaalsContact C-N 3.35Å; F1096-Q1099 CarbonylContact O-C 3.17Å; F1096-P1100 HydrophobicContact CD2-CB 4.46Å; F1096-P1100 HydrophobicContact CE1-CB 4.13Å; F1096-P1100 HydrophobicContact CE2-CB 4.07Å; F1096-P1100 HydrophobicContact CZ-CB 3.88Å; F1096-P1100 WeakPolarHBondContact O-CA 3.32Å; F1096-W1124 HydrophobicContact CB-CH2 3.89Å; F1096-W1124 HydrophobicContact CB-CZ3 3.92Å; F1096-W1124 HydrophobicContact CD2-CH2 4.35Å; F1096-W1124 HydrophobicContact CD2-CZ3 4Å; F1096-W1124 HydrophobicContact CG-CH2 4.3Å; F1096-W1124 HydrophobicContact CG-CZ3 4.31Å; F1096-F1125 HydrophobicContact CB-CE1 4.08Å; F1096-F1125 AromaticContact CD2-CD1 3.69Å; F1096-F1125 HydrophobicContact CD2-CD1 3.69Å; F1096-F1125 AromaticContact CD2-CE1 3.98Å; F1096-F1125 HydrophobicContact CD2-CE1 3.98Å; F1096-F1125 HydrophobicContact CE2-CD1 4.41Å; F1096-F1125 HydrophobicContact CG-CE1 4.5Å; F1096-R1128 HydrophobicContact CB-CG 4.45Å; F1096-R1128 HydrophobicContact CD1-CG 3.82Å; F1096-R1128 HydrophobicContact CD2-CB 3.71Å; F1096-R1128 HydrophobicContact CD2-CG 3.43Å; F1096-R1128 VanDerWaalsContact CD2-CG 3.43Å; F1096-R1128 HydrophobicContact CE1-CG 3.87Å; F1096-R1128 HydrophobicContact CE2-CB 3.56Å; F1096-R1128 HydrophobicContact CE2-CG 3.47Å; F1096-R1128 VanDerWaalsContact CE2-CG 3.47Å; F1096-R1128 HydrophobicContact CG-CB 4.4Å; F1096-R1128 HydrophobicContact CG-CG 3.62Å; F1096-R1128 HydrophobicContact CZ-CB 4.15Å; F1096-R1128 HydrophobicContact CZ-CG 3.71Å; F1096-R1129 HydrophobicContact CE2-CB 4.42Å; F1096-R1129 HydrophobicContact CE2-CG 3.66Å; F1096-R1129 HydrophobicContact CZ-CB 4.5Å; F1096-R1129 HydrophobicContact CZ-CG 3.89Å; F1096-Q1132 VanDerWaalsContact CE1-OE1 3.27Å; F1096-Q1132 VanDerWaalsContact CZ-OE1 3.3Å |
| 1097 | I | 93.8 | Very high | 94 | Very high | 130 Ų | 130 | 68.4 Ų | 68.4 | 67% | 0.667 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.1 | -40 | 175.9 | -68.2 | 162.4 | 0 | 0 | 0 | 110.7 | E1093 N1094 H1095 | E1093-I1097 WeakPolarHBondContact O-CG1 2.99Å; E1093-I1097 PolarHBondContact O-N 3.19Å; E1093-I1097 VanDerWaalsContact O-N 3.09Å; N1094-I1097 PolarHBondContact O-N 2.89Å; H1095-I1097 VanDerWaalsContact C-N 3.35Å |
| 1098 | K | 92.4 | Very high | 94.2 | Very high | 172 Ų | 172 | 68.5 Ų | 68.5 | 75% | 0.748 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67.4 | -46.6 | 175.3 | -67.5 | 179.4 | 178 | -175.4 | 0 | 112.6 | N1094 H1095 | N1094-K1098 PolarHBondContact O-N 3.41Å; H1095-K1098 PolarHBondContact O-N 3Å |
| 1099 | Q | 90.9 | Very high | 94.3 | Very high | 83 Ų | 83 | 72.3 Ų | 72.3 | 39% | 0.388 | 37% | 0.37 | S | S | . | . | | | trans | -145.5 | 97.2 | -174.8 | -73.5 | 176.8 | -25.4 | 0 | 0 | 109.7 | H1095 F1096 K1101 P1102 F1125 | H1095-Q1099 PolarHBondContact CE1-OE1 3.38Å; H1095-Q1099 PolarHBondContact O-N 3.39Å; F1096-Q1099 CarbonylContact O-C 3.17Å; Q1099-K1101 VanDerWaalsContact C-N 3.25Å; Q1099-K1101 PolarHBondContact O-N 2.82Å; Q1099-P1102 WeakPolarHBondContact O-CD 3.45Å; Q1099-F1125 WeakPolarHBondContact O-CE1 3.24Å |
| 1100 | P | 93.1 | Very high | 94.4 | Very high | 54 Ų | 54 | 69.3 Ų | 69.3 | 35% | 0.351 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -75.2 | -15 | 178.9 | 28.6 | -34.9 | 0 | 0 | 0 | 113.1 | F1096 R1129 | F1096-P1100 HydrophobicContact CD2-CB 4.46Å; F1096-P1100 HydrophobicContact CE1-CB 4.13Å; F1096-P1100 HydrophobicContact CE2-CB 4.07Å; F1096-P1100 HydrophobicContact CZ-CB 3.88Å; F1096-P1100 WeakPolarHBondContact O-CA 3.32Å; P1100-R1129 VanDerWaalsContact O-CD 3.26Å; P1100-R1129 WeakPolarHBondContact O-CD 3.44Å; P1100-R1129 WeakPolarHBondContact O-CG 3.38Å; P1100-R1129 PolarHBondContact O-NH1 3.04Å |
| 1101 | K | 94.4 | Very high | 94.5 | Very high | 173 Ų | 173 | 68.1 Ų | 68.1 | 75% | 0.752 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -121.8 | 68.5 | 172.9 | -63.7 | 177.6 | -176.5 | 172.6 | 0 | 109.7 | Q1099 | Q1099-K1101 VanDerWaalsContact C-N 3.25Å; Q1099-K1101 PolarHBondContact O-N 2.82Å |
| 1102 | P | 92.7 | Very high | 94.5 | Very high | 15 Ų | 15 | 69.6 Ų | 69.6 | 10% | 0.097 | 35% | 0.354 | C | S | . | . | | | trans | -64.2 | 149.9 | 177.6 | 29.5 | -35.6 | 0 | 0 | 0 | 111 | Q1099 D1106 I1107 F1125 | Q1099-P1102 WeakPolarHBondContact O-CD 3.45Å; P1102-D1106 HydrophobicContact CB-CB 4Å; P1102-I1107 HydrophobicContact CB-CG1 4.08Å; P1102-I1107 HydrophobicContact CG-CD1 4.09Å; P1102-I1107 HydrophobicContact CG-CG1 3.75Å; P1102-F1125 HydrophobicContact CB-CE1 4.49Å; P1102-F1125 VanDerWaalsContact CD-CD1 3.43Å; P1102-F1125 HydrophobicContact CG-CD1 3.52Å; P1102-F1125 HydrophobicContact CG-CD2 4.27Å; P1102-F1125 HydrophobicContact CG-CE1 3.59Å; P1102-F1125 HydrophobicContact CG-CE2 4.36Å; P1102-F1125 HydrophobicContact CG-CG 3.88Å; P1102-F1125 HydrophobicContact CG-CZ 4.03Å |
| 1103 | L | 94.1 | Very high | 94.4 | Very high | 121 Ų | 121 | 75.2 Ų | 75.2 | 63% | 0.634 | 39% | 0.388 | S | S | * | . | | | trans | -69.9 | 163.9 | 176.6 | -68.3 | 152.5 | 0 | 0 | 0 | 110.9 | Q1105 D1106 I1107 | L1103-Q1105 PolarHBondContact O-N 3.12Å; L1103-Q1105 VanDerWaalsContact O-N 3.15Å; L1103-D1106 WeakPolarHBondContact CB-OD2 3.41Å; L1103-D1106 PolarHBondContact N-OD2 2.9Å; L1103-D1106 PolarHBondContact O-N 3.45Å; L1103-I1107 WeakPolarHBondContact O-CG1 3.28Å; L1103-I1107 PolarHBondContact O-N 3.16Å |
| 1104 | A | 94.7 | Very high | 94.3 | Very high | 69 Ų | 69 | 74.3 Ų | 74.3 | 57% | 0.57 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60.3 | -25.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | I1108 | A1104-I1108 WeakPolarHBondContact O-CD1 3.12Å; A1104-I1108 WeakPolarHBondContact O-CG1 3.32Å |
| 1105 | Q | 94.7 | Very high | 94.3 | Very high | 111 Ų | 111 | 72.8 Ų | 72.8 | 52% | 0.519 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -78.1 | -46.6 | 175.9 | -171.3 | 69.2 | -10 | 0 | 0 | 111.7 | L1103 I1107 I1108 Q1109 | L1103-Q1105 PolarHBondContact O-N 3.12Å; L1103-Q1105 VanDerWaalsContact O-N 3.15Å; Q1105-I1107 PolarHBondContact O-N 2.86Å; Q1105-I1108 WeakPolarHBondContact O-CA 3.36Å; Q1105-I1108 WeakPolarHBondContact O-CB 3.4Å; Q1105-I1108 PolarHBondContact O-N 2.76Å; Q1105-Q1109 PolarHBondContact O-N 2.97Å |
| 1106 | D | 94.8 | Very high | 94.2 | Very high | 28 Ų | 28 | 72.4 Ų | 72.4 | 15% | 0.15 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60 | -37.4 | 176.8 | -36.4 | -22.9 | 0 | 0 | 0 | 110.9 | P1102 L1103 I1108 Q1109 L1110 | P1102-D1106 HydrophobicContact CB-CB 4Å; L1103-D1106 WeakPolarHBondContact CB-OD2 3.41Å; L1103-D1106 PolarHBondContact N-OD2 2.9Å; L1103-D1106 PolarHBondContact O-N 3.45Å; D1106-I1108 VanDerWaalsContact C-N 3.28Å; D1106-I1108 PolarHBondContact O-N 3.23Å; D1106-Q1109 PolarHBondContact O-N 3.01Å; D1106-L1110 WeakPolarHBondContact O-CB 3.45Å; D1106-L1110 PolarHBondContact O-N 2.66Å |
| 1107 | I | 96.2 | Very high | 94.1 | Very high | 19 Ų | 19 | 77.3 Ų | 77.3 | 10% | 0.097 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.9 | -31.2 | 174.4 | -66.8 | 170 | 0 | 0 | 0 | 112 | P1102 L1103 Q1105 A1111 K1118 V1121 R1122 | P1102-I1107 HydrophobicContact CB-CG1 4.08Å; P1102-I1107 HydrophobicContact CG-CD1 4.09Å; P1102-I1107 HydrophobicContact CG-CG1 3.75Å; L1103-I1107 WeakPolarHBondContact O-CG1 3.28Å; L1103-I1107 PolarHBondContact O-N 3.16Å; Q1105-I1107 PolarHBondContact O-N 2.86Å; I1107-A1111 WeakPolarHBondContact O-CB 2.84Å; I1107-A1111 PolarHBondContact O-N 3.1Å; I1107-K1118 HydrophobicContact CG2-CG 4.08Å; I1107-V1121 HydrophobicContact CG2-CB 4.32Å; I1107-V1121 HydrophobicContact CG2-CG1 4.17Å; I1107-R1122 HydrophobicContact CD1-CG 4.28Å; I1107-R1122 HydrophobicContact CG2-CB 4.08Å |
| 1108 | I | 95.6 | Very high | 94.2 | Very high | 49 Ų | 49 | 76.1 Ų | 76.1 | 25% | 0.251 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -73.3 | -54.1 | 173.6 | -65.4 | 161.2 | 0 | 0 | 0 | 109.3 | A1104 Q1105 D1106 L1110 A1111 D1112 K1118 | A1104-I1108 WeakPolarHBondContact O-CD1 3.12Å; A1104-I1108 WeakPolarHBondContact O-CG1 3.32Å; Q1105-I1108 WeakPolarHBondContact O-CA 3.36Å; Q1105-I1108 WeakPolarHBondContact O-CB 3.4Å; Q1105-I1108 PolarHBondContact O-N 2.76Å; D1106-I1108 VanDerWaalsContact C-N 3.28Å; D1106-I1108 PolarHBondContact O-N 3.23Å; I1108-L1110 VanDerWaalsContact C-N 3.26Å; I1108-L1110 PolarHBondContact O-N 3.41Å; I1108-A1111 WeakPolarHBondContact O-CA 3.42Å; I1108-A1111 WeakPolarHBondContact O-CB 3.19Å; I1108-A1111 PolarHBondContact O-N 3.18Å; I1108-D1112 WeakPolarHBondContact CG2-OD2 3.14Å; I1108-D1112 VanDerWaalsContact O-CG 3.22Å; I1108-D1112 PolarHBondContact O-N 2.97Å; I1108-K1118 HydrophobicContact CG1-CD 3.77Å; I1108-K1118 HydrophobicContact CG1-CG 4.19Å |
| 1109 | Q | 95.2 | Very high | 94.2 | Very high | 106 Ų | 106 | 71.8 Ų | 71.8 | 50% | 0.495 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -56.3 | -41.1 | -179.7 | -66.2 | 177.9 | 5.8 | 0 | 0 | 112.3 | Q1105 D1106 D1112 V1113 | Q1105-Q1109 PolarHBondContact O-N 2.97Å; D1106-Q1109 PolarHBondContact O-N 3.01Å; Q1109-D1112 PolarHBondContact O-N 2.79Å; Q1109-V1113 VanDerWaalsContact O-CB 3.31Å; Q1109-V1113 WeakPolarHBondContact O-CB 3.48Å; Q1109-V1113 WeakPolarHBondContact O-CG2 3.25Å; Q1109-V1113 PolarHBondContact O-N 3.04Å |
| 1110 | L | 95.2 | Very high | 94.4 | Very high | 12 Ų | 12 | 68.7 Ų | 68.7 | 6% | 0.063 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -73.8 | -25.3 | 177.4 | -173.6 | 60.6 | 0 | 0 | 0 | 113 | I1091 L1092 H1095 D1106 I1108 L1114 V1121 F1125 | I1091-L1110 HydrophobicContact CG2-CD1 4.47Å; L1092-L1110 HydrophobicContact CD2-CD2 3.99Å; L1092-L1110 HydrophobicContact CD2-CG 4.26Å; H1095-L1110 HydrophobicContact CB-CD2 3.97Å; D1106-L1110 WeakPolarHBondContact O-CB 3.45Å; D1106-L1110 PolarHBondContact O-N 2.66Å; I1108-L1110 VanDerWaalsContact C-N 3.26Å; I1108-L1110 PolarHBondContact O-N 3.41Å; L1110-L1114 HydrophobicContact CD1-CD1 3.73Å; L1110-L1114 HydrophobicContact CD1-CG 4.11Å; L1110-L1114 HydrophobicContact CG-CD1 3.93Å; L1110-L1114 VanDerWaalsContact O-CB 3.25Å; L1110-L1114 WeakPolarHBondContact O-CB 3.39Å; L1110-L1114 WeakPolarHBondContact O-CD1 3.26Å; L1110-L1114 WeakPolarHBondContact O-CG 3.47Å; L1110-L1114 PolarHBondContact O-N 2.98Å; L1110-V1121 HydrophobicContact CD2-CG1 4.11Å; L1110-V1121 HydrophobicContact CG-CG1 4.32Å; L1110-F1125 HydrophobicContact CD2-CE2 3.53Å; L1110-F1125 HydrophobicContact CD2-CZ 3.74Å |
| 1111 | A | 95.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 66.1 Ų | 66.1 | 2% | 0.017 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -72.2 | -47.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I1107 I1108 V1113 L1114 G1115 L1116 K1118 V1121 | I1107-A1111 WeakPolarHBondContact O-CB 2.84Å; I1107-A1111 PolarHBondContact O-N 3.1Å; I1108-A1111 WeakPolarHBondContact O-CA 3.42Å; I1108-A1111 WeakPolarHBondContact O-CB 3.19Å; I1108-A1111 PolarHBondContact O-N 3.18Å; A1111-V1113 PolarHBondContact O-N 2.96Å; A1111-L1114 CarbonylContact O-C 3.54Å; A1111-L1114 PolarHBondContact O-N 2.77Å; A1111-G1115 PolarHBondContact O-N 3.2Å; A1111-L1116 WeakPolarHBondContact CB-O 3.24Å; A1111-L1116 PolarHBondContact O-N 3.41Å; A1111-K1118 HydrophobicContact CB-CB 4.42Å; A1111-V1121 HydrophobicContact CB-CB 4.48Å; A1111-V1121 HydrophobicContact CB-CG2 3.89Å |
| 1112 | D | 95.2 | Very high | 94.6 | Very high | 117 Ų | 117 | 62.8 Ų | 62.8 | 63% | 0.626 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.4 | -46.9 | 177.3 | -58.6 | -23.3 | 0 | 0 | 0 | 111.4 | I1108 Q1109 L1114 G1115 | I1108-D1112 WeakPolarHBondContact CG2-OD2 3.14Å; I1108-D1112 VanDerWaalsContact O-CG 3.22Å; I1108-D1112 PolarHBondContact O-N 2.97Å; Q1109-D1112 PolarHBondContact O-N 2.79Å; D1112-L1114 VanDerWaalsContact C-N 3.28Å; D1112-L1114 PolarHBondContact O-N 2.83Å; D1112-G1115 PolarHBondContact O-N 2.81Å |
| 1113 | V | 94.1 | Very high | 94.7 | Very high | 118 Ų | 118 | 64.6 Ų | 64.6 | 72% | 0.715 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.9 | -24.4 | 178.5 | 167 | 0 | 0 | 0 | 0 | 113.3 | Q1109 A1111 | Q1109-V1113 VanDerWaalsContact O-CB 3.31Å; Q1109-V1113 WeakPolarHBondContact O-CB 3.48Å; Q1109-V1113 WeakPolarHBondContact O-CG2 3.25Å; Q1109-V1113 PolarHBondContact O-N 3.04Å; A1111-V1113 PolarHBondContact O-N 2.96Å |
| 1114 | L | 94.1 | Very high | 94.8 | Very high | 24 Ų | 24 | 60.2 Ų | 60.2 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -102.4 | -1 | -179.2 | -65.8 | 178.1 | 0 | 0 | 0 | 114.1 | V1088 I1091 L1092 L1110 A1111 D1112 L1116 | V1088-L1114 HydrophobicContact CG1-CB 4.18Å; V1088-L1114 HydrophobicContact CG1-CD1 4.07Å; V1088-L1114 HydrophobicContact CG1-CD2 4.21Å; V1088-L1114 HydrophobicContact CG1-CG 4.39Å; I1091-L1114 HydrophobicContact CB-CD2 3.96Å; I1091-L1114 HydrophobicContact CD1-CD2 3.65Å; I1091-L1114 HydrophobicContact CG1-CD2 4.42Å; I1091-L1114 HydrophobicContact CG2-CD2 3.87Å; L1092-L1114 HydrophobicContact CD1-CD1 4.36Å; L1092-L1114 HydrophobicContact CD2-CD1 3.56Å; L1092-L1114 HydrophobicContact CG-CD1 3.66Å; L1110-L1114 HydrophobicContact CD1-CD1 3.73Å; L1110-L1114 HydrophobicContact CD1-CG 4.11Å; L1110-L1114 HydrophobicContact CG-CD1 3.93Å; L1110-L1114 VanDerWaalsContact O-CB 3.25Å; L1110-L1114 WeakPolarHBondContact O-CB 3.39Å; L1110-L1114 WeakPolarHBondContact O-CD1 3.26Å; L1110-L1114 WeakPolarHBondContact O-CG 3.47Å; L1110-L1114 PolarHBondContact O-N 2.98Å; A1111-L1114 CarbonylContact O-C 3.54Å; A1111-L1114 PolarHBondContact O-N 2.77Å; D1112-L1114 VanDerWaalsContact C-N 3.28Å; D1112-L1114 PolarHBondContact O-N 2.83Å; L1114-L1116 HydrophobicContact CB-CB 4.45Å; L1114-L1116 HydrophobicContact CB-CD1 4.31Å; L1114-L1116 HydrophobicContact CB-CG 4.09Å; L1114-L1116 HydrophobicContact CD1-CD1 4.47Å; L1114-L1116 PolarHBondContact O-N 3.26Å |
| 1115 | G | 92.9 | Very high | 94.9 | Very high | 73 Ų | 73 | 57 Ų | 57 | 75% | 0.753 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 25.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A1111 D1112 | A1111-G1115 PolarHBondContact O-N 3.2Å; D1112-G1115 PolarHBondContact O-N 2.81Å |
| 1116 | L | 93.6 | Very high | 94.8 | Very high | 36 Ų | 36 | 53.2 Ų | 53.2 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | | | trans | -103.7 | 154.9 | -178.1 | -71.3 | -174.8 | 0 | 0 | 0 | 111.8 | V1088 L1092 A1111 L1114 K1118 V1120 V1121 | V1088-L1116 HydrophobicContact CG1-CD1 3.63Å; V1088-L1116 HydrophobicContact CG1-CG 4.14Å; L1092-L1116 HydrophobicContact CD1-CD1 4.17Å; A1111-L1116 WeakPolarHBondContact CB-O 3.24Å; A1111-L1116 PolarHBondContact O-N 3.41Å; L1114-L1116 HydrophobicContact CB-CB 4.45Å; L1114-L1116 HydrophobicContact CB-CD1 4.31Å; L1114-L1116 HydrophobicContact CB-CG 4.09Å; L1114-L1116 HydrophobicContact CD1-CD1 4.47Å; L1114-L1116 PolarHBondContact O-N 3.26Å; L1116-K1118 PolarHBondContact O-N 2.85Å; L1116-V1120 HydrophobicContact CD1-CG1 4.33Å; L1116-V1121 HydrophobicContact CB-CG2 3.84Å; L1116-V1121 HydrophobicContact CD1-CG2 3.95Å |
| 1117 | E | 93.4 | Very high | 94.8 | Very high | 111 Ų | 111 | 56.2 Ų | 56.2 | 52% | 0.519 | 30% | 0.301 | S | S | . | . | | | trans | -64.8 | 133.8 | 167.7 | -175.3 | -177.7 | -168.7 | 0 | 0 | 110.4 | E1119 V1120 V1121 | E1117-E1119 HydrophobicContact CG-CB 4.18Å; E1117-E1119 PolarHBondContact O-N 3.42Å; E1117-E1119 VanDerWaalsContact O-N 3.07Å; E1117-V1120 HydrophobicContact CB-CB 4.31Å; E1117-V1120 HydrophobicContact CB-CG2 3.91Å; E1117-V1120 WeakPolarHBondContact O-CA 3.19Å; E1117-V1120 WeakPolarHBondContact O-CB 3.3Å; E1117-V1120 PolarHBondContact O-N 2.97Å; E1117-V1121 PolarHBondContact O-N 2.9Å; E1117-V1121 VanDerWaalsContact O-N 3.17Å |
| 1118 | K | 94.5 | Very high | 94.8 | Very high | 106 Ų | 106 | 58.3 Ų | 58.3 | 46% | 0.461 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -45.3 | -41.2 | 175.2 | -178.7 | -172.8 | -179.2 | 172.6 | 0 | 113.1 | I1107 I1108 A1111 L1116 R1122 | I1107-K1118 HydrophobicContact CG2-CG 4.08Å; I1108-K1118 HydrophobicContact CG1-CD 3.77Å; I1108-K1118 HydrophobicContact CG1-CG 4.19Å; A1111-K1118 HydrophobicContact CB-CB 4.42Å; L1116-K1118 PolarHBondContact O-N 2.85Å; K1118-R1122 WeakPolarHBondContact O-CB 3.23Å; K1118-R1122 PolarHBondContact O-N 3Å |
| 1119 | E | 94.2 | Very high | 94.7 | Very high | 81 Ų | 81 | 59.9 Ų | 59.9 | 38% | 0.379 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68 | -37.6 | 178.7 | 179.6 | 59.2 | -170.4 | 0 | 0 | 112.4 | E1117 R1122 V1123 | E1117-E1119 HydrophobicContact CG-CB 4.18Å; E1117-E1119 PolarHBondContact O-N 3.42Å; E1117-E1119 VanDerWaalsContact O-N 3.07Å; E1119-R1122 VanDerWaalsContact CD-NH2 3.32Å; E1119-R1122 PolarHBondContact O-N 2.58Å; E1119-R1122 IonicContact OE1-CZ 2.71Å; E1119-R1122 IonicContact OE1-NE 3.35Å; E1119-R1122 IonicContact OE1-NH2 2.69Å; E1119-R1122 PolarHBondContact OE1-NH2 2.77Å; E1119-R1122 IonicContact OE2-CZ 2.69Å; E1119-R1122 IonicContact OE2-NE 2.69Å; E1119-R1122 PolarHBondContact OE2-NE 3Å; E1119-R1122 IonicContact OE2-NH2 2.6Å; E1119-R1122 PolarHBondContact OE2-NH2 3.4Å; E1119-R1122 VanDerWaalsContact OE2-NH2 3.16Å; E1119-V1123 HydrophobicContact CG-CG2 4.31Å; E1119-V1123 VanDerWaalsContact O-CB 3.27Å; E1119-V1123 WeakPolarHBondContact O-CB 3.38Å; E1119-V1123 VanDerWaalsContact O-CG2 3.24Å; E1119-V1123 WeakPolarHBondContact O-CG2 3.26Å; E1119-V1123 PolarHBondContact O-N 2.8Å; E1119-V1123 VanDerWaalsContact OE1-CG2 3.28Å; E1119-V1123 WeakPolarHBondContact OE1-CG2 3.31Å |
| 1120 | V | 94.3 | Very high | 94.3 | Very high | 17 Ų | 17 | 59.2 Ų | 59.2 | 10% | 0.103 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 176 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | T1082 I1084 L1116 E1117 W1124 | T1082-V1120 HydrophobicContact CG2-CG1 3.99Å; T1082-V1120 HydrophobicContact CG2-CG2 3.95Å; I1084-V1120 HydrophobicContact CD1-CG1 3.77Å; I1084-V1120 HydrophobicContact CG1-CG1 4.03Å; L1116-V1120 HydrophobicContact CD1-CG1 4.33Å; E1117-V1120 HydrophobicContact CB-CB 4.31Å; E1117-V1120 HydrophobicContact CB-CG2 3.91Å; E1117-V1120 WeakPolarHBondContact O-CA 3.19Å; E1117-V1120 WeakPolarHBondContact O-CB 3.3Å; E1117-V1120 PolarHBondContact O-N 2.97Å; V1120-W1124 VanDerWaalsContact O-CB 3.25Å; V1120-W1124 WeakPolarHBondContact O-CB 3.36Å; V1120-W1124 PolarHBondContact O-N 2.76Å |
| 1121 | V | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.8 | -49.1 | 174.6 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | L1092 I1107 L1110 A1111 L1116 E1117 V1123 W1124 F1125 | L1092-V1121 HydrophobicContact CD2-CG1 4.02Å; L1092-V1121 HydrophobicContact CD2-CG2 4.46Å; I1107-V1121 HydrophobicContact CG2-CB 4.32Å; I1107-V1121 HydrophobicContact CG2-CG1 4.17Å; L1110-V1121 HydrophobicContact CD2-CG1 4.11Å; L1110-V1121 HydrophobicContact CG-CG1 4.32Å; A1111-V1121 HydrophobicContact CB-CB 4.48Å; A1111-V1121 HydrophobicContact CB-CG2 3.89Å; L1116-V1121 HydrophobicContact CB-CG2 3.84Å; L1116-V1121 HydrophobicContact CD1-CG2 3.95Å; E1117-V1121 PolarHBondContact O-N 2.9Å; E1117-V1121 VanDerWaalsContact O-N 3.17Å; V1121-V1123 PolarHBondContact O-N 3.48Å; V1121-W1124 WeakPolarHBondContact O-CB 3.46Å; V1121-W1124 PolarHBondContact O-N 3.49Å; V1121-W1124 VanDerWaalsContact O-N 3.16Å; V1121-F1125 HydrophobicContact CG1-CD2 3.91Å; V1121-F1125 HydrophobicContact CG1-CE2 3.91Å; V1121-F1125 WeakPolarHBondContact O-CD2 3.37Å; V1121-F1125 PolarHBondContact O-N 3.26Å |
| 1122 | R | 95.9 | Very high | 93.6 | Very high | 103 Ų | 103 | 68.6 Ų | 68.6 | 39% | 0.389 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.5 | -46.9 | 178.3 | -167.4 | -167.4 | 70 | 78.2 | 2.8 | 112.3 | I1107 K1118 E1119 F1125 C1126 | I1107-R1122 HydrophobicContact CD1-CG 4.28Å; I1107-R1122 HydrophobicContact CG2-CB 4.08Å; K1118-R1122 WeakPolarHBondContact O-CB 3.23Å; K1118-R1122 PolarHBondContact O-N 3Å; E1119-R1122 VanDerWaalsContact CD-NH2 3.32Å; E1119-R1122 PolarHBondContact O-N 2.58Å; E1119-R1122 IonicContact OE1-CZ 2.71Å; E1119-R1122 IonicContact OE1-NE 3.35Å; E1119-R1122 IonicContact OE1-NH2 2.69Å; E1119-R1122 PolarHBondContact OE1-NH2 2.77Å; E1119-R1122 IonicContact OE2-CZ 2.69Å; E1119-R1122 IonicContact OE2-NE 2.69Å; E1119-R1122 PolarHBondContact OE2-NE 3Å; E1119-R1122 IonicContact OE2-NH2 2.6Å; E1119-R1122 PolarHBondContact OE2-NH2 3.4Å; E1119-R1122 VanDerWaalsContact OE2-NH2 3.16Å; R1122-F1125 PolarHBondContact O-N 2.77Å; R1122-C1126 PolarHBondContact O-N 3.12Å; R1122-C1126 VanDerWaalsContact O-N 3.11Å; R1122-C1126 PolarHBondContact O-SG 3.37Å |
| 1123 | V | 94.1 | Very high | 93.1 | Very high | 53 Ų | 53 | 69.8 Ų | 69.8 | 32% | 0.321 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 177.8 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | E1119 V1121 C1126 N1127 | E1119-V1123 HydrophobicContact CG-CG2 4.31Å; E1119-V1123 VanDerWaalsContact O-CB 3.27Å; E1119-V1123 WeakPolarHBondContact O-CB 3.38Å; E1119-V1123 VanDerWaalsContact O-CG2 3.24Å; E1119-V1123 WeakPolarHBondContact O-CG2 3.26Å; E1119-V1123 PolarHBondContact O-N 2.8Å; E1119-V1123 VanDerWaalsContact OE1-CG2 3.28Å; E1119-V1123 WeakPolarHBondContact OE1-CG2 3.31Å; V1121-V1123 PolarHBondContact O-N 3.48Å; V1123-C1126 PolarHBondContact O-N 2.87Å; V1123-N1127 WeakPolarHBondContact CG1-ND2 3.36Å; V1123-N1127 WeakPolarHBondContact O-CB 3.13Å; V1123-N1127 VanDerWaalsContact O-CG 3.26Å; V1123-N1127 PolarHBondContact O-N 3.46Å; V1123-N1127 PolarHBondContact O-ND2 2.83Å |
| 1124 | W | 96.2 | Very high | 92.6 | Very high | 30 Ų | 30 | 72.4 Ų | 72.4 | 11% | 0.114 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60 | -48 | 175.3 | -176.7 | 96.9 | 0 | 0 | 0 | 111.6 | I1084 L1092 E1093 F1096 V1120 V1121 C1126 N1127 R1128 | I1084-W1124 HydrophobicContact CD1-CB 4.25Å; I1084-W1124 HydrophobicContact CD1-CG 4.19Å; L1092-W1124 HydrophobicContact CB-CD2 3.93Å; L1092-W1124 HydrophobicContact CB-CE3 3.84Å; L1092-W1124 HydrophobicContact CB-CH2 3.73Å; L1092-W1124 HydrophobicContact CB-CZ2 3.78Å; L1092-W1124 HydrophobicContact CB-CZ3 3.75Å; L1092-W1124 HydrophobicContact CD1-CD2 3.96Å; L1092-W1124 HydrophobicContact CD1-CE3 4.44Å; L1092-W1124 HydrophobicContact CD1-CG 4Å; L1092-W1124 HydrophobicContact CD2-CD2 4.48Å; L1092-W1124 HydrophobicContact CD2-CE3 4.16Å; L1092-W1124 HydrophobicContact CG-CD2 4.36Å; L1092-W1124 HydrophobicContact CG-CE3 4.38Å; L1092-W1124 VanDerWaalsContact O-CH2 3.3Å; L1092-W1124 WeakPolarHBondContact O-CH2 3.4Å; L1092-W1124 WeakPolarHBondContact O-CZ3 3.46Å; E1093-W1124 HydrophobicContact CB-CH2 4.47Å; E1093-W1124 HydrophobicContact CG-CH2 3.73Å; E1093-W1124 HydrophobicContact CG-CZ2 3.49Å; E1093-W1124 VanDerWaalsContact CG-CZ2 3.49Å; F1096-W1124 HydrophobicContact CB-CH2 3.89Å; F1096-W1124 HydrophobicContact CB-CZ3 3.92Å; F1096-W1124 HydrophobicContact CD2-CH2 4.35Å; F1096-W1124 HydrophobicContact CD2-CZ3 4Å; F1096-W1124 HydrophobicContact CG-CH2 4.3Å; F1096-W1124 HydrophobicContact CG-CZ3 4.31Å; V1120-W1124 VanDerWaalsContact O-CB 3.25Å; V1120-W1124 WeakPolarHBondContact O-CB 3.36Å; V1120-W1124 PolarHBondContact O-N 2.76Å; V1121-W1124 WeakPolarHBondContact O-CB 3.46Å; V1121-W1124 PolarHBondContact O-N 3.49Å; V1121-W1124 VanDerWaalsContact O-N 3.16Å; W1124-C1126 VanDerWaalsContact C-N 3.33Å; W1124-C1126 PolarHBondContact O-N 3.47Å; W1124-N1127 PolarHBondContact O-N 2.9Å; W1124-R1128 HydrophobicContact CE3-CB 4.28Å; W1124-R1128 HydrophobicContact CH2-CB 3.85Å; W1124-R1128 HydrophobicContact CH2-CG 3.57Å; W1124-R1128 HydrophobicContact CZ2-CB 4.14Å; W1124-R1128 HydrophobicContact CZ2-CG 3.97Å; W1124-R1128 HydrophobicContact CZ3-CB 3.94Å; W1124-R1128 HydrophobicContact CZ3-CG 4.08Å; W1124-R1128 WeakPolarHBondContact O-CB 3.46Å; W1124-R1128 PolarHBondContact O-N 3.21Å |
| 1125 | F | 96.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 75.3 Ų | 75.3 | 0% | 0.004 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 176.6 | -89.2 | -95 | 0 | 0 | 0 | 112.2 | L1092 H1095 F1096 Q1099 P1102 L1110 V1121 R1122 R1128 R1129 | L1092-F1125 HydrophobicContact CD2-CE2 3.89Å; H1095-F1125 HydrophobicContact CB-CZ 4.11Å; H1095-F1125 AromaticContact ND1-CZ 3.86Å; F1096-F1125 HydrophobicContact CB-CE1 4.08Å; F1096-F1125 AromaticContact CD2-CD1 3.69Å; F1096-F1125 HydrophobicContact CD2-CD1 3.69Å; F1096-F1125 AromaticContact CD2-CE1 3.98Å; F1096-F1125 HydrophobicContact CD2-CE1 3.98Å; F1096-F1125 HydrophobicContact CE2-CD1 4.41Å; F1096-F1125 HydrophobicContact CG-CE1 4.5Å; Q1099-F1125 WeakPolarHBondContact O-CE1 3.24Å; P1102-F1125 HydrophobicContact CB-CE1 4.49Å; P1102-F1125 VanDerWaalsContact CD-CD1 3.43Å; P1102-F1125 HydrophobicContact CG-CD1 3.52Å; P1102-F1125 HydrophobicContact CG-CD2 4.27Å; P1102-F1125 HydrophobicContact CG-CE1 3.59Å; P1102-F1125 HydrophobicContact CG-CE2 4.36Å; P1102-F1125 HydrophobicContact CG-CG 3.88Å; P1102-F1125 HydrophobicContact CG-CZ 4.03Å; L1110-F1125 HydrophobicContact CD2-CE2 3.53Å; L1110-F1125 HydrophobicContact CD2-CZ 3.74Å; V1121-F1125 HydrophobicContact CG1-CD2 3.91Å; V1121-F1125 HydrophobicContact CG1-CE2 3.91Å; V1121-F1125 WeakPolarHBondContact O-CD2 3.37Å; V1121-F1125 PolarHBondContact O-N 3.26Å; R1122-F1125 PolarHBondContact O-N 2.77Å; F1125-R1128 PolarHBondContact O-N 3.03Å; F1125-R1129 PolarHBondContact O-N 2.94Å |
| 1126 | C | 94 | Very high | 91 | Very high | 32 Ų | 32 | 75.9 Ų | 75.9 | 22% | 0.216 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62 | -46.3 | 174.7 | -66.4 | 0 | 0 | 0 | 0 | 111.7 | R1122 V1123 W1124 R1129 Q1130 | R1122-C1126 PolarHBondContact O-N 3.12Å; R1122-C1126 VanDerWaalsContact O-N 3.11Å; R1122-C1126 PolarHBondContact O-SG 3.37Å; V1123-C1126 PolarHBondContact O-N 2.87Å; W1124-C1126 VanDerWaalsContact C-N 3.33Å; W1124-C1126 PolarHBondContact O-N 3.47Å; C1126-R1129 PolarHBondContact O-N 2.75Å; C1126-R1129 PolarHBondContact SG-NH2 2.78Å; C1126-R1129 VanDerWaalsContact SG-NH2 3.42Å; C1126-Q1130 WeakPolarHBondContact O-CG 3.4Å; C1126-Q1130 PolarHBondContact O-N 2.82Å |
| 1127 | N | 94.3 | Very high | 89.5 | Confident | 91 Ų | 91 | 77.9 Ų | 77.9 | 49% | 0.487 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 177.3 | -71.4 | -25.3 | 0 | 0 | 0 | 112 | V1123 W1124 Q1130 K1131 | V1123-N1127 WeakPolarHBondContact CG1-ND2 3.36Å; V1123-N1127 WeakPolarHBondContact O-CB 3.13Å; V1123-N1127 VanDerWaalsContact O-CG 3.26Å; V1123-N1127 PolarHBondContact O-N 3.46Å; V1123-N1127 PolarHBondContact O-ND2 2.83Å; W1124-N1127 PolarHBondContact O-N 2.9Å; N1127-Q1130 PolarHBondContact O-N 3.05Å; N1127-K1131 PolarHBondContact O-N 3.22Å |
| 1128 | R | 94.7 | Very high | 87.9 | Confident | 62 Ų | 62 | 77.5 Ų | 77.5 | 23% | 0.234 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.7 | -38.2 | 178.4 | -169 | 65.2 | 177.2 | 67.2 | -0.9 | 112.2 | E1093 F1096 W1124 F1125 K1131 Q1132 | E1093-R1128 IonicContact OE1-CZ 2.95Å; E1093-R1128 IonicContact OE1-NE 2.64Å; E1093-R1128 PolarHBondContact OE1-NE 3.35Å; E1093-R1128 IonicContact OE1-NH2 2.76Å; F1096-R1128 HydrophobicContact CB-CG 4.45Å; F1096-R1128 HydrophobicContact CD1-CG 3.82Å; F1096-R1128 HydrophobicContact CD2-CB 3.71Å; F1096-R1128 HydrophobicContact CD2-CG 3.43Å; F1096-R1128 VanDerWaalsContact CD2-CG 3.43Å; F1096-R1128 HydrophobicContact CE1-CG 3.87Å; F1096-R1128 HydrophobicContact CE2-CB 3.56Å; F1096-R1128 HydrophobicContact CE2-CG 3.47Å; F1096-R1128 VanDerWaalsContact CE2-CG 3.47Å; F1096-R1128 HydrophobicContact CG-CB 4.4Å; F1096-R1128 HydrophobicContact CG-CG 3.62Å; F1096-R1128 HydrophobicContact CZ-CB 4.15Å; F1096-R1128 HydrophobicContact CZ-CG 3.71Å; W1124-R1128 HydrophobicContact CE3-CB 4.28Å; W1124-R1128 HydrophobicContact CH2-CB 3.85Å; W1124-R1128 HydrophobicContact CH2-CG 3.57Å; W1124-R1128 HydrophobicContact CZ2-CB 4.14Å; W1124-R1128 HydrophobicContact CZ2-CG 3.97Å; W1124-R1128 HydrophobicContact CZ3-CB 3.94Å; W1124-R1128 HydrophobicContact CZ3-CG 4.08Å; W1124-R1128 WeakPolarHBondContact O-CB 3.46Å; W1124-R1128 PolarHBondContact O-N 3.21Å; F1125-R1128 PolarHBondContact O-N 3.03Å; R1128-K1131 PolarHBondContact O-N 3.33Å; R1128-Q1132 PolarHBondContact O-N 3.49Å |
| 1129 | R | 94.4 | Very high | 86.1 | Confident | 82 Ų | 82 | 79 Ų | 79 | 31% | 0.309 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 168.7 | -75.1 | -163 | -64.2 | -80 | -0.3 | 112.2 | F1096 P1100 F1125 C1126 K1131 Q1132 K1133 | F1096-R1129 HydrophobicContact CE2-CB 4.42Å; F1096-R1129 HydrophobicContact CE2-CG 3.66Å; F1096-R1129 HydrophobicContact CZ-CB 4.5Å; F1096-R1129 HydrophobicContact CZ-CG 3.89Å; P1100-R1129 VanDerWaalsContact O-CD 3.26Å; P1100-R1129 WeakPolarHBondContact O-CD 3.44Å; P1100-R1129 WeakPolarHBondContact O-CG 3.38Å; P1100-R1129 PolarHBondContact O-NH1 3.04Å; F1125-R1129 PolarHBondContact O-N 2.94Å; C1126-R1129 PolarHBondContact O-N 2.75Å; C1126-R1129 PolarHBondContact SG-NH2 2.78Å; C1126-R1129 VanDerWaalsContact SG-NH2 3.42Å; R1129-K1131 VanDerWaalsContact C-N 3.32Å; R1129-K1131 PolarHBondContact O-N 2.81Å; R1129-Q1132 PolarHBondContact O-N 3.38Å; R1129-K1133 PolarHBondContact O-N 3.45Å |
| 1130 | Q | 87.5 | Confident | 84 | Confident | 93 Ų | 93 | 79.8 Ų | 79.8 | 44% | 0.435 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 176 | -72.5 | -171.8 | 24.6 | 0 | 0 | 112.2 | C1126 N1127 Q1132 K1133 R1134 | C1126-Q1130 WeakPolarHBondContact O-CG 3.4Å; C1126-Q1130 PolarHBondContact O-N 2.82Å; N1127-Q1130 PolarHBondContact O-N 3.05Å; Q1130-Q1132 VanDerWaalsContact C-N 3.34Å; Q1130-K1133 PolarHBondContact O-N 3.16Å; Q1130-R1134 WeakPolarHBondContact O-CG 3.42Å; Q1130-R1134 PolarHBondContact O-N 3.2Å |
| 1131 | K | 89.3 | Confident | 81.2 | Confident | 123 Ų | 123 | 81.9 Ų | 81.9 | 54% | 0.535 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 174.6 | -169.7 | 178.5 | -180 | -176.7 | 0 | 111.2 | N1127 R1128 R1129 R1134 L1135 | N1127-K1131 PolarHBondContact O-N 3.22Å; R1128-K1131 PolarHBondContact O-N 3.33Å; R1129-K1131 VanDerWaalsContact C-N 3.32Å; R1129-K1131 PolarHBondContact O-N 2.81Å; K1131-R1134 PolarHBondContact O-N 3.15Å; K1131-L1135 HydrophobicContact CG-CD1 4.01Å; K1131-L1135 WeakPolarHBondContact O-CG 3.09Å; K1131-L1135 PolarHBondContact O-N 3.41Å; K1131-L1135 VanDerWaalsContact O-N 3.09Å |
| 1132 | Q | 87.1 | Confident | 78.4 | Confident | 88 Ų | 88 | 87 Ų | 87 | 41% | 0.411 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 175.2 | -173.2 | 179.1 | 2 | 0 | 0 | 112.3 | F1096 R1128 R1129 Q1130 R1134 L1135 N1136 | F1096-Q1132 VanDerWaalsContact CE1-OE1 3.27Å; F1096-Q1132 VanDerWaalsContact CZ-OE1 3.3Å; R1128-Q1132 PolarHBondContact O-N 3.49Å; R1129-Q1132 PolarHBondContact O-N 3.38Å; Q1130-Q1132 VanDerWaalsContact C-N 3.34Å; Q1132-R1134 VanDerWaalsContact C-N 3.26Å; Q1132-R1134 PolarHBondContact O-N 2.67Å; Q1132-L1135 PolarHBondContact O-N 2.82Å; Q1132-L1135 VanDerWaalsContact O-N 3.09Å; Q1132-N1136 PolarHBondContact O-N 2.75Å; Q1132-N1136 VanDerWaalsContact O-N 3.11Å |
| 1133 | K | 83.5 | Confident | 75.5 | Confident | 141 Ų | 141 | 87.2 Ų | 87.2 | 61% | 0.613 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -60.8 | -31.1 | 176 | -76.4 | -152.7 | 171.7 | -157.6 | 0 | 113.2 | R1129 Q1130 | R1129-K1133 PolarHBondContact O-N 3.45Å; Q1130-K1133 PolarHBondContact O-N 3.16Å |
| 1134 | R | 83.3 | Confident | 72.9 | Confident | 174 Ų | 174 | 93.1 Ų | 93.1 | 66% | 0.657 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -78.1 | -21.9 | 174.6 | -69.6 | -176.8 | -169.1 | 102.7 | 7.6 | 114.4 | Q1130 K1131 Q1132 | Q1130-R1134 WeakPolarHBondContact O-CG 3.42Å; Q1130-R1134 PolarHBondContact O-N 3.2Å; K1131-R1134 PolarHBondContact O-N 3.15Å; Q1132-R1134 VanDerWaalsContact C-N 3.26Å; Q1132-R1134 PolarHBondContact O-N 2.67Å |
| 1135 | L | 78.4 | Confident | 70.1 | Confident | 85 Ų | 85 | 98.3 Ų | 98.3 | 45% | 0.445 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -90.6 | -26.6 | -179.6 | -73.1 | 172.9 | 0 | 0 | 0 | 113.3 | P656 K1131 Q1132 P1137 | P656-L1135 WeakPolarHBondContact CG-O 3.22Å; K1131-L1135 HydrophobicContact CG-CD1 4.01Å; K1131-L1135 WeakPolarHBondContact O-CG 3.09Å; K1131-L1135 PolarHBondContact O-N 3.41Å; K1131-L1135 VanDerWaalsContact O-N 3.09Å; Q1132-L1135 PolarHBondContact O-N 2.82Å; Q1132-L1135 VanDerWaalsContact O-N 3.09Å; L1135-P1137 WeakPolarHBondContact O-CD 3.35Å |
| 1136 | N | 75.3 | Confident | 67.3 | Low | 85 Ų | 85 | 102.7 Ų | 102.7 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | | | trans | -114.4 | 61.1 | 175.6 | -72 | 17.3 | 0 | 0 | 0 | 112.4 | Q1132 L1138 L1139 | Q1132-N1136 PolarHBondContact O-N 2.75Å; Q1132-N1136 VanDerWaalsContact O-N 3.11Å; N1136-L1138 VanDerWaalsContact C-N 3.26Å; N1136-L1138 PolarHBondContact O-N 2.74Å; N1136-L1139 HydrophobicContact CB-CB 4.31Å |
| 1137 | P | 62.9 | Low | 64.5 | Low | 78 Ų | 78 | 106.1 Ų | 106.1 | 51% | 0.506 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.7 | -22.4 | 177.2 | 29.7 | -34.4 | 0 | 0 | 0 | 113.2 | L1135 | L1135-P1137 WeakPolarHBondContact O-CD 3.35Š|
| 1138 | L | 60.2 | Low | 61.7 | Low | 103 Ų | 103 | 111.5 Ų | 111.5 | 54% | 0.539 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.5 | 1.6 | -174.9 | -60.6 | 177.3 | 0 | 0 | 0 | 114.7 | N1136 | N1136-L1138 VanDerWaalsContact C-N 3.26Å; N1136-L1138 PolarHBondContact O-N 2.74Å |
| 1139 | L | 55.4 | Low | 58.9 | Low | 138 Ų | 138 | 112.4 Ų | 112.4 | 72% | 0.723 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -116.4 | 8.7 | -171.3 | -113 | 170 | 0 | 0 | 0 | 114.1 | N1136 | N1136-L1139 HydrophobicContact CB-CB 4.31Š|
| 1140 | L | 50 | Low | 56 | Low | 96 Ų | 96 | 112.1 Ų | 112.1 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | | | trans | -147.6 | 49.4 | 179.5 | -163.9 | 65.4 | 0 | 0 | 0 | 110.8 | F1144 | L1140-F1144 HydrophobicContact CD1-CB 4.25Š|
| 1141 | G | 36.5 | Very low | 53.6 | Low | 61 Ų | 61 | 113.9 Ų | 113.9 | 63% | 0.629 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -113.5 | 117.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1142 | S | 35.7 | Very low | 50.8 | Low | 108 Ų | 108 | 113.6 Ų | 113.6 | 76% | 0.755 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 66.5 | 138.1 | -163.2 | 79.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1143 | T | 36.4 | Very low | 48.1 | Very low | 107 Ų | 107 | 116.1 Ų | 116.1 | 66% | 0.656 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 65.9 | 154.9 | -175.4 | 72 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1144 | F | 39.8 | Very low | 45.8 | Very low | 178 Ų | 178 | 114 Ų | 114 | 78% | 0.781 | 63% | 0.634 | S | S | * | * | | | trans | 64.3 | 54.7 | 174.9 | -53.9 | -74.5 | 0 | 0 | 0 | 119.6 | L1140 | L1140-F1144 HydrophobicContact CD1-CB 4.25Š|
| 1145 | D | 37.7 | Very low | 43.5 | Very low | 139 Ų | 139 | 110.3 Ų | 110.3 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -145.1 | 56.7 | 147 | -139.2 | -16.3 | 0 | 0 | 0 | 110.9 | | |
| 1146 | S | 37.2 | Very low | 41.6 | Very low | 92 Ų | 92 | 110.9 Ų | 110.9 | 64% | 0.643 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -162.2 | 148.4 | 172.2 | -73.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1147 | N | 34.7 | Very low | 39.8 | Very low | 105 Ų | 105 | 111 Ų | 111 | 56% | 0.561 | 63% | 0.631 | S | S | * | * | | | trans | 69.6 | 63.7 | 163.5 | -53.3 | -11.7 | 0 | 0 | 0 | 119.3 | | |
| 1148 | E | 35.3 | Very low | 38.7 | Very low | 204 Ų | 204 | 112.7 Ų | 112.7 | 95% | 0.953 | 64% | 0.636 | S | S | * | * | | | trans | -135.7 | 53.4 | 150.6 | -78.5 | -161.7 | 158.8 | 0 | 0 | 111.5 | | |
| 1149 | D | 37.1 | Very low | 37.8 | Very low | 81 Ų | 81 | 114.9 Ų | 114.9 | 43% | 0.433 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -156 | 124.1 | 162 | -157.5 | -9.2 | 0 | 0 | 0 | 110.4 | K215 | K215-D1149 WeakPolarHBondContact CD-OD2 3.44Å; K215-D1149 WeakPolarHBondContact CE-OD2 3.29Å; K215-D1149 IonicContact NZ-OD1 2.62Å; K215-D1149 PolarHBondContact NZ-OD1 2.75Å; K215-D1149 IonicContact NZ-OD2 3.1Å; K215-D1149 PolarHBondContact NZ-OD2 2.96Å |
| 1150 | S | 33.2 | Very low | 37.5 | Very low | 76 Ų | 76 | 113.4 Ų | 113.4 | 53% | 0.531 | 65% | 0.65 | S | S | . | * | | | trans | 86.6 | 80.6 | 174.9 | -45 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1151 | T | 36 | Very low | 37 | Very low | 129 Ų | 129 | 118.6 Ų | 118.6 | 79% | 0.791 | 66% | 0.664 | S | S | * | * | | | trans | -144.9 | 113.1 | 140.8 | 43.4 | 0 | 0 | 0 | 0 | 106.2 | | |
| 1152 | C | 30.2 | Very low | 37.5 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 80% | 0.797 | 68% | 0.676 | S | S | * | * | | | | 59.3 | 135.6 | 67.3 | 84.6 | 0 | 0 | 0 | 0 | 115 | | |
| 1153 | R | 30.3 | Very low | 37.7 | Very low | 141 Ų | 141 | 126.6 Ų | 126.6 | 53% | 0.532 | 68% | 0.678 | S | S | . | * | | | cis | -170.7 | 126.9 | -28.6 | -156.6 | -177.3 | -166.7 | 169.4 | 1.4 | 107.3 | I190 | I190-R1153 VanDerWaalsContact CD1-NH1 3.34Š|
| 1154 | S | 35.4 | Very low | 38.1 | Very low | 97 Ų | 97 | 128.2 Ų | 128.2 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | | | trans | -178.4 | 142.5 | 175.6 | -99.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1155 | D | 36.3 | Very low | 38.5 | Very low | 95 Ų | 95 | 126.6 Ų | 126.6 | 51% | 0.508 | 68% | 0.683 | S | S | . | * | | | cis | -149.9 | 137.7 | 4 | -79.1 | -40 | 0 | 0 | 0 | 112.6 | N186 | N186-D1155 CarbonylContact C-O 3.55Å; N186-D1155 VanDerWaalsContact CB-O 3.23Å; N186-D1155 WeakPolarHBondContact CB-O 3.37Å; N186-D1155 CarbonylContact O-C 3.46Å |
| 1156 | N | 37.7 | Very low | 38.9 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 52% | 0.519 | 69% | 0.685 | S | S | . | * | | | trans | 79.3 | 112.3 | 149.2 | -58.2 | -16.8 | 0 | 0 | 0 | 122.6 | N185 N186 T187 | N185-N1156 CarbonylContact C-O 2.99Å; N186-N1156 VanDerWaalsContact C-C 3.42Å; N186-N1156 CarbonylContact C-O 3.53Å; N186-N1156 WeakPolarHBondContact CA-O 3.09Å; N186-N1156 PolarHBondContact N-O 3.19Å; N186-N1156 PolarHBondContact O-N 3.4Å; T187-N1156 PolarHBondContact N-O 2.76Å; T187-N1156 VanDerWaalsContact N-O 3.11Å; T187-N1156 CarbonylContact O-C 3.58Å; T187-N1156 WeakPolarHBondContact O-CA 3.13Å; T187-N1156 PolarHBondContact O-N 2.76Å |
| 1157 | N | 38.5 | Very low | 39.3 | Very low | 88 Ų | 88 | 130 Ų | 130 | 47% | 0.471 | 69% | 0.694 | S | S | . | * | | | trans | 81.6 | 142.3 | 139.1 | -63.6 | 49.8 | 0 | 0 | 0 | 120.3 | T187 | T187-N1157 PolarHBondContact N-O 2.83Å; T187-N1157 PolarHBondContact O-N 3.2Å |
| 1158 | D | 39.6 | Very low | 40 | Very low | 113 Ų | 113 | 132 Ų | 132 | 60% | 0.604 | 70% | 0.704 | S | S | * | * | | | cis | -126 | -114.7 | -18.2 | -83.9 | -43.9 | 0 | 0 | 0 | 113.3 | | |
| 1159 | D | 41.6 | Very low | 40.5 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 80% | 0.797 | 70% | 0.696 | S | S | * | * | | | cis | -157.4 | 178.4 | 16.2 | -66.5 | -95.3 | 0 | 0 | 0 | 111.1 | | |
| 1160 | S | 48.7 | Very low | 41 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | | | trans | -103.7 | 134.5 | -175.8 | 55.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1161 | Y | 38.8 | Very low | 41.6 | Very low | 204 Ų | 204 | 136 Ų | 136 | 80% | 0.8 | 72% | 0.72 | S | S | * | * | | | | 81.5 | 128.9 | 63.5 | -79 | -67.2 | 0 | 0 | 0 | 116.5 | | |
| 1162 | D | 46.3 | Very low | 42.1 | Very low | 166 Ų | 166 | 135 Ų | 135 | 89% | 0.888 | 71% | 0.71 | S | S | * | * | | | trans | -171.1 | 163.4 | 142.3 | -88.3 | -24.5 | 0 | 0 | 0 | 108.1 | | |
| 1163 | E | 40.7 | Very low | 42.8 | Very low | 171 Ų | 171 | 136 Ų | 136 | 80% | 0.799 | 70% | 0.703 | S | S | * | * | | | trans | -118.9 | -149.8 | -158.1 | -57 | -174.7 | 121.8 | 0 | 0 | 114.9 | | |
| 1164 | D | 44.3 | Very low | 43.3 | Very low | 142 Ų | 142 | 133.3 Ų | 133.3 | 76% | 0.759 | 70% | 0.696 | S | S | * | * | | | trans | 76.8 | 140.3 | 169.7 | -41 | -15.2 | 0 | 0 | 0 | 117.8 | | |
| 1165 | D | 48.7 | Very low | 43.7 | Very low | 144 Ų | 144 | 136.7 Ų | 136.7 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | | | cis | -161.1 | 178.3 | -11.1 | -105.9 | -10.1 | 0 | 0 | 0 | 111.2 | | |
| 1166 | D | 45.6 | Very low | 43.9 | Very low | 149 Ų | 149 | 139.7 Ų | 139.7 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | | | trans | -83.4 | -150.2 | -159.6 | -60.5 | -56.4 | 0 | 0 | 0 | 119.7 | | |
| 1167 | D | 46.6 | Very low | 43.9 | Very low | 154 Ų | 154 | 144.7 Ų | 144.7 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | | | trans | 89.3 | 147.8 | 171.8 | -54.3 | -17.4 | 0 | 0 | 0 | 120.1 | | |
| 1168 | D | 47.9 | Very low | 43.9 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | | | | -164 | -163 | -66.3 | -115.4 | -21.7 | 0 | 0 | 0 | 111.2 | | |
| 1169 | D | 46.5 | Very low | 43.8 | Very low | 148 Ų | 148 | 145.9 Ų | 145.9 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | trans | 75 | 125.8 | 173.5 | -50.7 | -26.6 | 0 | 0 | 0 | 117.6 | | |
| 1170 | E | 47.4 | Very low | 43.5 | Very low | 190 Ų | 190 | 146.8 Ų | 146.8 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | | | cis | 86.8 | 139.3 | 35 | -66.5 | -160.8 | 157.8 | 0 | 0 | 116.9 | | |
| 1171 | D | 45.6 | Very low | 43 | Very low | 107 Ų | 107 | 148 Ų | 148 | 57% | 0.572 | 75% | 0.754 | S | S | * | * | | | cis | -159.1 | -124.6 | -35.8 | -163.2 | -104.6 | 0 | 0 | 0 | 111.9 | H434 | H434-D1171 IonicContact CE1-OD1 3.71Å; H434-D1171 PolarHBondContact CE1-OD1 2.79Å; H434-D1171 IonicContact CE1-OD2 2.68Å; H434-D1171 PolarHBondContact CE1-OD2 3.43Å; H434-D1171 IonicContact ND1-OD1 2.94Å; H434-D1171 PolarHBondContact ND1-OD1 3.38Å |
| 1172 | D | 46.6 | Very low | 43.1 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 57% | 0.572 | 74% | 0.743 | S | S | * | * | | | trans | 72.5 | 153 | 168.6 | -61 | -26.1 | 0 | 0 | 0 | 120 | S433 | S433-D1172 VanDerWaalsContact CB-O 3.26Å; S433-D1172 WeakPolarHBondContact CB-O 3.45Å; S433-D1172 PolarHBondContact OG-O 3.48Å |
| 1173 | E | 44.9 | Very low | 42.8 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | | | | -148.4 | 171.3 | -51.7 | -143.2 | -179.4 | -147.9 | 0 | 0 | 109.5 | S433 H434 | S433-E1173 CarbonylContact C-O 3.22Å; S433-E1173 VanDerWaalsContact C-O 3.22Å; H434-E1173 WeakPolarHBondContact CA-O 3.24Å; H434-E1173 VanDerWaalsContact CB-CA 3.42Å; H434-E1173 VanDerWaalsContact CB-N 3.31Å; H434-E1173 WeakPolarHBondContact CB-O 3.33Å; H434-E1173 PolarHBondContact N-O 2.84Å |
| 1174 | E | 42 | Very low | 42.7 | Very low | 85 Ų | 85 | 142.1 Ų | 142.1 | 40% | 0.397 | 73% | 0.725 | S | S | . | * | | | trans | -73.3 | 174.8 | -155.2 | -65.1 | 160.3 | -140.8 | 0 | 0 | 120.1 | N436 | N436-E1174 HydrophobicContact CB-CG 4.27Å; N436-E1174 WeakPolarHBondContact CB-OE1 3.3Å; N436-E1174 PolarHBondContact ND2-OE1 3.03Å |
| 1175 | D | 42.4 | Very low | 42.4 | Very low | 168 Ų | 168 | 142 Ų | 142 | 90% | 0.898 | 72% | 0.72 | S | S | * | * | | | trans | -160.6 | 106.8 | 149.2 | -106.8 | -21.7 | 0 | 0 | 0 | 111.2 | | |
| 1176 | E | 40.8 | Very low | 41.7 | Very low | 159 Ų | 159 | 141 Ų | 141 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | | | trans | -119.8 | 147.7 | 169.2 | -74.8 | -160.9 | 140.8 | 0 | 0 | 111.2 | | |
| 1177 | E | 38.6 | Very low | 41 | Very low | 202 Ų | 202 | 140.3 Ų | 140.3 | 94% | 0.944 | 71% | 0.706 | S | S | * | * | | | trans | -166.6 | 121.9 | 153.2 | -108.7 | 173.9 | -164.7 | 0 | 0 | 106.7 | | |
| 1178 | G | 37.9 | Very low | 40.4 | Very low | 68 Ų | 68 | 137.7 Ų | 137.7 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | | | | 104.1 | 130.8 | 83.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1179 | D | 38.1 | Very low | 39.9 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 85% | 0.845 | 70% | 0.703 | S | S | * | * | | | cis | -130.5 | 145.8 | 2 | -54.2 | -53.8 | 0 | 0 | 0 | 108.4 | | |
| 1180 | E | 35.5 | Very low | 39 | Very low | 168 Ų | 168 | 138.8 Ų | 138.8 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | | | | 71.2 | 147.9 | 51.7 | -87.8 | -93.9 | 112 | 0 | 0 | 115.8 | | |
| 1181 | E | 38.3 | Very low | 38.2 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 63% | 0.626 | 69% | 0.694 | S | S | * | * | | | trans | 71.3 | 138.3 | 172.1 | -52.7 | -145.8 | 161.1 | 0 | 0 | 119.3 | | |
| 1182 | R | 40.4 | Very low | 37.5 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 57% | 0.57 | 70% | 0.703 | S | S | * | * | | | cis | -165 | 152.8 | -9 | -115.7 | -178.5 | -152.6 | -67.1 | -10.9 | 110 | | |
| 1183 | H | 39 | Very low | 36.9 | Very low | 162 Ų | 162 | 139 Ų | 139 | 75% | 0.75 | 71% | 0.711 | S | S | * | * | | | trans | 50.5 | 145.6 | 137.1 | -65.5 | -16.2 | 0 | 0 | 0 | 121.4 | | |
| 1184 | D | 39.5 | Very low | 36.2 | Very low | 104 Ų | 104 | 138.7 Ų | 138.7 | 56% | 0.556 | 71% | 0.713 | S | S | * | * | | | cis | -162.8 | 159.5 | 9.9 | -122.5 | -12.7 | 0 | 0 | 0 | 115.1 | | |
| 1185 | Q | 38.2 | Very low | 35.8 | Very low | 140 Ų | 140 | 142 Ų | 142 | 65% | 0.654 | 73% | 0.733 | S | S | * | * | | | trans | 25.9 | 152.1 | 132.7 | -63.8 | 172.7 | 58.1 | 0 | 0 | 122.5 | | |
| 1186 | L | 33.6 | Very low | 35 | Very low | 123 Ų | 123 | 139 Ų | 139 | 64% | 0.644 | 72% | 0.724 | S | S | * | * | | | cis | -171.2 | 167.5 | -10 | -106.3 | 167.6 | 0 | 0 | 0 | 110.5 | | |
| 1187 | Q | 30.5 | Very low | 34.6 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 63% | 0.626 | 73% | 0.731 | S | S | * | * | | | trans | 48.7 | 111.5 | 145.7 | -68 | 175.6 | 56 | 0 | 0 | 122.2 | | |
| 1188 | A | 35.4 | Very low | 34.2 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | | | | -162.4 | 83.9 | 123.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1189 | K | 36 | Very low | 33.9 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 73% | 0.726 | 73% | 0.728 | S | S | * | * | | | | 35.9 | 101.6 | 89.2 | -82.2 | -176.3 | 177.7 | 170.6 | 0 | 115.4 | | |
| 1190 | N | 28.4 | Very low | 33.6 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | | | trans | 30.1 | 122.6 | 141.4 | -55.4 | -4.1 | 0 | 0 | 0 | 119.1 | | |
| 1191 | N | 30.6 | Very low | 33.5 | Very low | 130 Ų | 130 | 132 Ų | 132 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | | | trans | -170 | 127.5 | 131.4 | -108.8 | -70.6 | 0 | 0 | 0 | 114.2 | | |
| 1192 | K | 31.5 | Very low | 33.3 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 76% | 0.757 | 71% | 0.711 | S | S | * | * | | | trans | 64.6 | 157.4 | 150.5 | -64.6 | 154.8 | -176.5 | 158.9 | 0 | 116.9 | | |
| 1193 | S | 34.4 | Very low | 33 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | | | cis | -137.2 | 135.4 | 4.1 | 34.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1194 | N | 29.6 | Very low | 32.6 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | | | | 78 | 140.9 | 64.9 | -84 | 12.1 | 0 | 0 | 0 | 115.2 | | |
| 1195 | L | 33.3 | Very low | 32.2 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 81% | 0.806 | 73% | 0.73 | S | S | * | * | | | trans | 82.8 | 109.5 | -176.2 | -75.2 | 63.1 | 0 | 0 | 0 | 113.7 | | |
| 1196 | C | 26.4 | Very low | 32 | Very low | 105 Ų | 105 | 134 Ų | 134 | 71% | 0.709 | 74% | 0.735 | S | S | * | * | | | cis | 84.8 | 149.6 | 16.4 | -40.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1197 | N | 31 | Very low | 31.7 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 89% | 0.893 | 74% | 0.743 | S | S | * | * | | | trans | 72.5 | 144.8 | -174.9 | -48.3 | -15.6 | 0 | 0 | 0 | 113.2 | | |
| 1198 | G | 31.2 | Very low | 31.6 | Very low | 72 Ų | 72 | 138.9 Ų | 138.9 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | | | cis | 173.7 | 153.8 | -1.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 1199 | N | 31.1 | Very low | 31.4 | Very low | 156 Ų | 156 | 141.8 Ų | 141.8 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | | | cis | -166 | 176.9 | 42.1 | -135.8 | 14.1 | 0 | 0 | 0 | 110.7 | | |
| 1200 | S | 32.8 | Very low | 31 | Very low | 84 Ų | 84 | 135.8 Ų | 135.8 | 59% | 0.587 | 73% | 0.733 | S | S | * | * | | | trans | 15.7 | 144.2 | 140.9 | -68.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 1201 | N | 32.6 | Very low | 30.9 | Very low | 130 Ų | 130 | 134 Ų | 134 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | | | cis | -175.8 | 163.5 | 10.4 | -112.9 | 20 | 0 | 0 | 0 | 109.6 | | |
| 1202 | N | 34.5 | Very low | 30.8 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 63% | 0.626 | 71% | 0.708 | S | S | * | * | | | trans | 64.5 | 154.6 | 149.3 | -70 | 46.9 | 0 | 0 | 0 | 118.1 | | |
| 1203 | D | 34.5 | Very low | 31 | Very low | 138 Ų | 138 | 128.6 Ų | 128.6 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | | | cis | -150.2 | 168.9 | -11.7 | -96.3 | -25.1 | 0 | 0 | 0 | 109.6 | | |
| 1204 | D | 29.4 | Very low | 30.7 | Very low | 155 Ų | 155 | 129 Ų | 129 | 83% | 0.829 | 69% | 0.686 | S | S | * | * | | | trans | -80.7 | -177.6 | -179.3 | -65.2 | -78.6 | 0 | 0 | 0 | 115.7 | | |
| 1205 | E | 30.7 | Very low | 30.8 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 72% | 0.715 | 68% | 0.683 | S | S | * | * | | | trans | 96.3 | 150.3 | 159.3 | -58.5 | -156 | 136.8 | 0 | 0 | 121.2 | | |
| 1206 | K | 34.1 | Very low | 30.6 | Very low | 170 Ų | 170 | 127 Ų | 127 | 74% | 0.739 | 67% | 0.665 | S | S | * | * | | | trans | 67.9 | 118.4 | 163.8 | -66.2 | 166.1 | -172 | 93.7 | 0 | 116.4 | | |
| 1207 | Y | 28.6 | Very low | 30.7 | Very low | 209 Ų | 209 | 125.8 Ų | 125.8 | 82% | 0.82 | 65% | 0.654 | S | S | * | * | | | cis | 66.4 | 119.4 | 13.7 | -136.7 | -91.8 | 0 | 0 | 0 | 115.1 | | |
| 1208 | L | 28 | Very low | 30.5 | Very low | 150 Ų | 150 | 123.3 Ų | 123.3 | 79% | 0.785 | 65% | 0.65 | S | S | * | * | | | trans | 71.6 | 111.4 | 177.8 | -66.6 | 159.2 | 0 | 0 | 0 | 118.2 | | |
| 1209 | D | 30.3 | Very low | 30.4 | Very low | 160 Ų | 160 | 124 Ų | 124 | 86% | 0.856 | 65% | 0.649 | S | S | * | * | | | trans | 129.4 | 161.4 | 147.9 | -79.9 | -2.7 | 0 | 0 | 0 | 115 | | |
| 1210 | A | 28 | Very low | 30.5 | Very low | 40 Ų | 40 | 123 Ų | 123 | 33% | 0.331 | 64% | 0.643 | S | S | . | * | | | cis | -169.8 | 51.8 | -36.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1253 | A1210-S1253 WeakPolarHBondContact O-CB 3.28Å; A1210-S1253 PolarHBondContact O-OG 2.82Å |
| 1211 | I | 27 | Very low | 30.5 | Very low | 111 Ų | 111 | 126.2 Ų | 126.2 | 57% | 0.569 | 65% | 0.649 | S | S | * | * | | | trans | 79.6 | 165.2 | 153.7 | -41.9 | 135.7 | 0 | 0 | 0 | 116.8 | C1252 N1254 | I1211-C1252 VanDerWaalsContact O-O 3.12Å; I1211-N1254 HydrophobicContact CD1-CB 4.4Å; I1211-N1254 VanDerWaalsContact CD1-ND2 3.31Å; I1211-N1254 WeakPolarHBondContact CD1-ND2 3.5Å |
| 1212 | I | 28.7 | Very low | 30.4 | Very low | 76 Ų | 76 | 127.4 Ų | 127.4 | 39% | 0.39 | 65% | 0.65 | S | S | . | * | | | trans | 75.1 | 137.3 | 167.9 | -56.2 | -160.9 | 0 | 0 | 0 | 119.9 | L1251 S1253 | I1212-L1251 WeakPolarHBondContact CG2-O 3.29Å; I1212-L1251 CarbonylContact O-C 3.59Å; I1212-L1251 VanDerWaalsContact O-CA 3.29Å; I1212-L1251 WeakPolarHBondContact O-CA 3.2Å; I1212-L1251 PolarHBondContact O-N 2.71Å; I1212-S1253 WeakPolarHBondContact CD1-O 3.14Å |
| 1213 | K | 34.1 | Very low | 30.4 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 50% | 0.504 | 66% | 0.656 | S | S | . | * | | | trans | 58.8 | 118 | 162.2 | -82.3 | -170.7 | -85.6 | 119.8 | 0 | 119 | D1250 L1251 | K1213-D1250 WeakPolarHBondContact CB-O 3.29Å; K1213-D1250 PolarHBondContact NZ-O 3.4Å; K1213-L1251 WeakPolarHBondContact CE-O 3.24Å; K1213-L1251 PolarHBondContact NZ-O 3.2Å; K1213-L1251 PolarHBondContact O-N 3.27Å |
| 1214 | E | 29.4 | Very low | 30.3 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 54% | 0.537 | 65% | 0.65 | S | S | . | * | | | | 86.2 | 122.8 | 71.5 | -93.2 | -163.5 | 105 | 0 | 0 | 114.9 | S1249 D1250 | E1214-S1249 CarbonylContact O-C 3.59Å; E1214-S1249 WeakPolarHBondContact O-CA 3.44Å; E1214-S1249 WeakPolarHBondContact O-CB 3.37Å; E1214-D1250 PolarHBondContact O-N 2.79Å |
| 1215 | K | 30.6 | Very low | 30.3 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 64% | 0.635 | 64% | 0.642 | S | S | * | * | | | | 78.8 | 71.6 | 114.3 | -161.2 | -158.8 | -135.1 | 148.1 | 0 | 123.7 | N1248 S1249 | K1215-N1248 CarbonylContact O-C 3.3Å; K1215-N1248 VanDerWaalsContact O-C 3.23Å; K1215-S1249 VanDerWaalsContact O-CA 3.25Å; K1215-S1249 WeakPolarHBondContact O-CA 3.19Å; K1215-S1249 WeakPolarHBondContact O-CB 3.2Å; K1215-S1249 PolarHBondContact O-N 3.42Å; K1215-S1249 VanDerWaalsContact O-N 3.1Å |
| 1216 | K | 30.2 | Very low | 30.5 | Very low | 98 Ų | 98 | 126.9 Ų | 126.9 | 43% | 0.426 | 65% | 0.649 | S | S | . | * | | | trans | -159.4 | 143.8 | 153.3 | -126.7 | -158.8 | 165.2 | -179.2 | 0 | 122.6 | N1247 N1248 | K1216-N1247 VanDerWaalsContact CE-CB 3.43Å; K1216-N1247 WeakPolarHBondContact CE-OD1 3.27Å; K1216-N1247 PolarHBondContact NZ-ND2 3.32Å; K1216-N1248 HydrophobicContact CD-CB 4.43Å; K1216-N1248 VanDerWaalsContact CD-OD1 3.24Å; K1216-N1248 WeakPolarHBondContact CD-OD1 3.35Å; K1216-N1248 WeakPolarHBondContact CE-OD1 3.38Å; K1216-N1248 PolarHBondContact NZ-OD1 2.81Å |
| 1217 | T | 28 | Very low | 30.3 | Very low | 79 Ų | 79 | 124.4 Ų | 124.4 | 49% | 0.485 | 64% | 0.643 | S | S | . | * | | | trans | -3.1 | 127.9 | 154.7 | 59.4 | 0 | 0 | 0 | 0 | 124.6 | | |
| 1218 | S | 26.5 | Very low | 30.3 | Very low | 114 Ų | 114 | 121.3 Ų | 121.3 | 80% | 0.797 | 64% | 0.64 | S | S | * | * | | | | 78.3 | 141.1 | 107.3 | -50.4 | 0 | 0 | 0 | 0 | 125.2 | | |
| 1219 | A | 29.6 | Very low | 30.3 | Very low | 88 Ų | 88 | 123.7 Ų | 123.7 | 73% | 0.727 | 64% | 0.64 | S | S | * | * | | | trans | 95.8 | 153.5 | 137.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1220 | D | 32.6 | Very low | 30.3 | Very low | 134 Ų | 134 | 124.8 Ų | 124.8 | 72% | 0.717 | 63% | 0.632 | S | S | * | * | | | trans | 86.8 | 119.4 | -174.9 | -55.1 | -11.5 | 0 | 0 | 0 | 115.8 | | |
| 1221 | H | 33.6 | Very low | 30.4 | Very low | 152 Ų | 152 | 132.2 Ų | 132.2 | 70% | 0.704 | 66% | 0.657 | S | S | * | * | | | cis | -140.9 | 151.1 | -18.4 | -82.9 | -65.7 | 0 | 0 | 0 | 106.7 | | |
| 1222 | E | 30.6 | Very low | 30.4 | Very low | 155 Ų | 155 | 131 Ų | 131 | 72% | 0.724 | 66% | 0.659 | S | S | * | * | | | cis | 100.7 | 146.8 | 24.8 | -162.2 | -178.2 | -156.5 | 0 | 0 | 114.5 | | |
| 1223 | M | 34 | Very low | 30.4 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 75% | 0.754 | 68% | 0.678 | S | S | * | * | | | trans | 75 | 137.8 | 177.9 | -53.1 | -178.2 | 68.7 | 0 | 0 | 117.2 | | |
| 1224 | N | 32.5 | Very low | 30.2 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 60% | 0.599 | 69% | 0.692 | S | S | * | * | | | cis | -157.8 | 130.5 | -23.2 | -105.5 | -22.7 | 0 | 0 | 0 | 107.1 | | |
| 1225 | N | 30.4 | Very low | 30 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 68% | 0.679 | 70% | 0.7 | S | S | * | * | | | | 60.6 | 112.1 | 82.2 | -76.2 | -47.3 | 0 | 0 | 0 | 115.5 | I1227 | N1225-I1227 HydrophobicContact CB-CD1 4.14Å; N1225-I1227 HydrophobicContact CB-CG1 4.47Å |
| 1226 | D | 33.5 | Very low | 29.9 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 86% | 0.856 | 71% | 0.706 | S | S | * | * | | | trans | -158.2 | 146.9 | 144.8 | -119.6 | -13 | 0 | 0 | 0 | 110.9 | | |
| 1227 | I | 30.9 | Very low | 29.9 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 61% | 0.605 | 72% | 0.717 | S | S | * | * | | | | -160.1 | 140 | -71.5 | -104 | 165.3 | 0 | 0 | 0 | 111.2 | N1225 | N1225-I1227 HydrophobicContact CB-CD1 4.14Å; N1225-I1227 HydrophobicContact CB-CG1 4.47Å |
| 1228 | N | 28 | Very low | 30 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 77% | 0.765 | 72% | 0.724 | S | S | * | * | | | trans | 42.5 | 120.1 | 156.5 | -66.9 | -31.8 | 0 | 0 | 0 | 123.3 | | |
| 1229 | Y | 28.7 | Very low | 30.2 | Very low | 200 Ų | 200 | 146 Ų | 146 | 78% | 0.784 | 72% | 0.722 | S | S | * | * | | | trans | -147 | 117.6 | 143 | -134.9 | -119.3 | 0 | 0 | 0 | 106.5 | | |
| 1230 | R | 30.5 | Very low | 30.3 | Very low | 183 Ų | 183 | 149.1 Ų | 149.1 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | | | cis | -137.6 | 151 | 3.5 | -72.8 | 178.6 | 171.3 | 170.3 | -3.4 | 107.9 | | |
| 1231 | K | 29.7 | Very low | 30.1 | Very low | 197 Ų | 197 | 147.1 Ų | 147.1 | 86% | 0.857 | 72% | 0.718 | S | S | * | * | | | | 50.9 | 137.4 | 71.4 | -81.6 | -169.1 | 174.7 | -179 | 0 | 114.1 | | |
| 1232 | S | 26.9 | Very low | 29.7 | Very low | 85 Ų | 85 | 145.7 Ų | 145.7 | 59% | 0.594 | 72% | 0.715 | S | S | * | * | | | cis | -178 | 150.8 | -4 | 43.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1233 | E | 27.4 | Very low | 29.7 | Very low | 171 Ų | 171 | 146 Ų | 146 | 80% | 0.799 | 71% | 0.714 | S | S | * | * | | | trans | 62.6 | 140.6 | 165.7 | -57.9 | 170.4 | 139.3 | 0 | 0 | 115.6 | | |
| 1234 | K | 31.5 | Very low | 29.5 | Very low | 185 Ų | 185 | 145.2 Ų | 145.2 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | | | cis | -141.4 | 160.8 | 26.8 | -56.5 | 164.3 | -176.6 | 169.6 | 0 | 108 | | |
| 1235 | I | 25.5 | Very low | 29.2 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 71% | 0.708 | 72% | 0.715 | S | S | * | * | | | cis | 69.2 | 120.7 | 40.5 | -58.8 | 178.5 | 0 | 0 | 0 | 112.7 | | |
| 1236 | L | 28.1 | Very low | 29.1 | Very low | 144 Ų | 144 | 145.9 Ų | 145.9 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | | | trans | 68.8 | 136.3 | -167.8 | -42.7 | -173.9 | 0 | 0 | 0 | 113.4 | | |
| 1237 | E | 28.8 | Very low | 28.8 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 66% | 0.664 | 69% | 0.69 | S | S | * | * | | | cis | -160.6 | 160.1 | -3.2 | -124.9 | 165.1 | -138.7 | 0 | 0 | 110.6 | | |
| 1238 | N | 30.6 | Very low | 28.7 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 63% | 0.631 | 69% | 0.688 | S | S | * | * | | | trans | 56.4 | 101.4 | 159.6 | -53.7 | -26.1 | 0 | 0 | 0 | 117.6 | | |
| 1239 | E | 31.8 | Very low | 28.7 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 75% | 0.748 | 67% | 0.666 | S | S | * | * | | | | 90.4 | 138.5 | 90.6 | -84.5 | -175.1 | -170.4 | 0 | 0 | 112.4 | | |
| 1240 | H | 31.4 | Very low | 28.7 | Very low | 154 Ų | 154 | 131 Ų | 131 | 71% | 0.713 | 65% | 0.651 | S | S | * | * | | | cis | -156.8 | 142.5 | 6 | -133.9 | -39.8 | 0 | 0 | 0 | 110.6 | | |
| 1241 | S | 27.5 | Very low | 28.6 | Very low | 93 Ų | 93 | 127.8 Ų | 127.8 | 65% | 0.65 | 65% | 0.647 | S | S | * | * | | | trans | 68.4 | 145.6 | 142.4 | 81.8 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1242 | L | 26.4 | Very low | 28.3 | Very low | 122 Ų | 122 | 123.2 Ų | 123.2 | 64% | 0.639 | 64% | 0.638 | S | S | * | * | | | cis | -163.2 | 150.5 | -7.8 | -142.6 | 56.1 | 0 | 0 | 0 | 109.4 | | |
| 1243 | F | 29.9 | Very low | 28.3 | Very low | 160 Ų | 160 | 121.3 Ų | 121.3 | 70% | 0.702 | 63% | 0.625 | S | S | * | * | | | trans | 59.8 | 113.2 | 164.9 | -58.4 | -48.3 | 0 | 0 | 0 | 116.8 | | |
| 1244 | D | 30.1 | Very low | 28.1 | Very low | 137 Ų | 137 | 116.7 Ų | 116.7 | 73% | 0.733 | 61% | 0.606 | S | S | * | * | | | | 74.3 | 146 | 62.2 | -69.3 | 13.6 | 0 | 0 | 0 | 112.4 | | |
| 1245 | N | 26 | Very low | 27.9 | Very low | 118 Ų | 118 | 115.5 Ų | 115.5 | 63% | 0.631 | 60% | 0.603 | S | S | * | * | | | cis | -170.3 | 173.3 | -26.7 | -163.3 | 6.3 | 0 | 0 | 0 | 105.2 | | |
| 1246 | E | 27.5 | Very low | 27.9 | Very low | 136 Ų | 136 | 113.2 Ų | 113.2 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | | | trans | 47.6 | 129.6 | 141.9 | -85.9 | -174 | -118.4 | 0 | 0 | 123.4 | | |
| 1247 | N | 27.6 | Very low | 27.8 | Very low | 73 Ų | 73 | 113.8 Ų | 113.8 | 39% | 0.39 | 60% | 0.597 | S | S | . | * | | | | 59.2 | 117.3 | 125.2 | -62.5 | -24.8 | 0 | 0 | 0 | 121.3 | K1216 | K1216-N1247 VanDerWaalsContact CE-CB 3.43Å; K1216-N1247 WeakPolarHBondContact CE-OD1 3.27Å; K1216-N1247 PolarHBondContact NZ-ND2 3.32Å |
| 1248 | N | 29.6 | Very low | 27.6 | Very low | 104 Ų | 104 | 116.8 Ų | 116.8 | 56% | 0.556 | 60% | 0.602 | S | S | * | * | | | | 175.1 | 167.4 | 95.4 | -89 | -63.3 | 0 | 0 | 0 | 111.4 | K1215 K1216 | K1215-N1248 CarbonylContact O-C 3.3Å; K1215-N1248 VanDerWaalsContact O-C 3.23Å; K1216-N1248 HydrophobicContact CD-CB 4.43Å; K1216-N1248 VanDerWaalsContact CD-OD1 3.24Å; K1216-N1248 WeakPolarHBondContact CD-OD1 3.35Å; K1216-N1248 WeakPolarHBondContact CE-OD1 3.38Å; K1216-N1248 PolarHBondContact NZ-OD1 2.81Å |
| 1249 | S | 26.7 | Very low | 27.4 | Very low | 44 Ų | 44 | 116.6 Ų | 116.6 | 31% | 0.308 | 60% | 0.597 | S | S | . | * | | | trans | -83.1 | 177.2 | 168.3 | 44.9 | 0 | 0 | 0 | 0 | 112.6 | E1214 K1215 | E1214-S1249 CarbonylContact O-C 3.59Å; E1214-S1249 WeakPolarHBondContact O-CA 3.44Å; E1214-S1249 WeakPolarHBondContact O-CB 3.37Å; K1215-S1249 VanDerWaalsContact O-CA 3.25Å; K1215-S1249 WeakPolarHBondContact O-CA 3.19Å; K1215-S1249 WeakPolarHBondContact O-CB 3.2Å; K1215-S1249 PolarHBondContact O-N 3.42Å; K1215-S1249 VanDerWaalsContact O-N 3.1Å |
| 1250 | D | 28.4 | Very low | 27.2 | Very low | 87 Ų | 87 | 114.2 Ų | 114.2 | 47% | 0.465 | 59% | 0.586 | S | S | . | * | | | trans | 126.7 | 127.5 | 134.6 | -71.8 | -1.7 | 0 | 0 | 0 | 115.5 | K1213 E1214 | K1213-D1250 WeakPolarHBondContact CB-O 3.29Å; K1213-D1250 PolarHBondContact NZ-O 3.4Å; E1214-D1250 PolarHBondContact O-N 2.79Å |
| 1251 | L | 28.8 | Very low | 27.2 | Very low | 116 Ų | 116 | 110.2 Ų | 110.2 | 61% | 0.607 | 58% | 0.575 | S | S | * | * | | | trans | 60.9 | 164.7 | 134.8 | -63.5 | 169.2 | 0 | 0 | 0 | 120.7 | I1212 K1213 | I1212-L1251 WeakPolarHBondContact CG2-O 3.29Å; I1212-L1251 CarbonylContact O-C 3.59Å; I1212-L1251 VanDerWaalsContact O-CA 3.29Å; I1212-L1251 WeakPolarHBondContact O-CA 3.2Å; I1212-L1251 PolarHBondContact O-N 2.71Å; K1213-L1251 WeakPolarHBondContact CE-O 3.24Å; K1213-L1251 PolarHBondContact NZ-O 3.2Å; K1213-L1251 PolarHBondContact O-N 3.27Å |
| 1252 | C | 24.2 | Very low | 27.2 | Very low | 100 Ų | 100 | 109.3 Ų | 109.3 | 68% | 0.676 | 56% | 0.562 | S | S | * | * | | | trans | 155.9 | -147.3 | 164.1 | 166.9 | 0 | 0 | 0 | 0 | 109 | I1211 | I1211-C1252 VanDerWaalsContact O-O 3.12Š|
| 1253 | S | 26.2 | Very low | 27.3 | Very low | 45 Ų | 45 | 107.6 Ų | 107.6 | 32% | 0.315 | 55% | 0.549 | S | S | . | . | | | trans | -163.3 | 149 | 162.3 | -156.3 | 0 | 0 | 0 | 0 | 112.6 | A1210 I1212 | A1210-S1253 WeakPolarHBondContact O-CB 3.28Å; A1210-S1253 PolarHBondContact O-OG 2.82Å; I1212-S1253 WeakPolarHBondContact CD1-O 3.14Å |
| 1254 | N | 24.6 | Very low | 27.3 | Very low | 75 Ų | 75 | 108.8 Ų | 108.8 | 40% | 0.401 | 55% | 0.549 | S | S | . | . | | | trans | 69.5 | 167.7 | 144.6 | -100.5 | -71.7 | 0 | 0 | 0 | 122 | I1211 | I1211-N1254 HydrophobicContact CD1-CB 4.4Å; I1211-N1254 VanDerWaalsContact CD1-ND2 3.31Å; I1211-N1254 WeakPolarHBondContact CD1-ND2 3.5Å |
| 1255 | Q | 25.9 | Very low | 27.3 | Very low | 159 Ų | 159 | 105.5 Ų | 105.5 | 74% | 0.743 | 53% | 0.534 | S | S | * | . | | | trans | 52.1 | 118.5 | 142.4 | -72.6 | 156.7 | 40.2 | 0 | 0 | 120 | | |
| 1256 | S | 25.4 | Very low | 27.4 | Very low | 91 Ų | 91 | 104.3 Ų | 104.3 | 64% | 0.636 | 52% | 0.523 | S | S | * | . | | | | 96 | 159.2 | 71.1 | -166.2 | 0 | 0 | 0 | 0 | 112 | | |
| 1257 | F | 25.5 | Very low | 27.5 | Very low | 156 Ų | 156 | 104.7 Ų | 104.7 | 68% | 0.684 | 52% | 0.519 | S | S | * | . | | | trans | 64.5 | 122.8 | -172.7 | -59.8 | -89.2 | 0 | 0 | 0 | 113.7 | | |
| 1258 | R | 24.7 | Very low | 27.6 | Very low | 204 Ų | 204 | 109.1 Ų | 109.1 | 77% | 0.77 | 53% | 0.53 | S | S | * | . | | | | 70.9 | 155.3 | 51.2 | -66.7 | 178.7 | 160.5 | -153.2 | 3.7 | 113.5 | | |
| 1259 | H | 27.9 | Very low | 27.7 | Very low | 114 Ų | 114 | 107.5 Ų | 107.5 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | | | trans | 77.3 | 103.8 | 169.6 | -56.8 | -73.6 | 0 | 0 | 0 | 113.9 | | |
| 1260 | H | 28.1 | Very low | 27.9 | Very low | 111 Ų | 111 | 109 Ų | 109 | 51% | 0.514 | 53% | 0.531 | S | S | . | . | | | | 93.4 | 153 | 96.8 | -67.5 | -15.9 | 0 | 0 | 0 | 110.6 | | |
| 1261 | S | 30.1 | Very low | 28.1 | Very low | 69 Ų | 69 | 112.4 Ų | 112.4 | 48% | 0.483 | 54% | 0.544 | S | S | . | . | | | cis | -154.2 | 153.5 | 24 | -104.3 | 0 | 0 | 0 | 0 | 111.6 | N632 | N632-S1261 WeakPolarHBondContact CB-O 3.26Å; N632-S1261 PolarHBondContact ND2-O 3.35Å |
| 1262 | I | 27.3 | Very low | 28.1 | Very low | 75 Ų | 75 | 111.5 Ų | 111.5 | 39% | 0.385 | 55% | 0.548 | S | S | . | . | | | cis | -170.1 | 149.5 | -10.4 | -113.4 | -179.7 | 0 | 0 | 0 | 106.9 | T630 N632 | T630-I1262 HydrophobicContact CG2-CB 4.11Å; T630-I1262 HydrophobicContact CG2-CG1 3.7Å; T630-I1262 HydrophobicContact CG2-CG2 4.2Å; N632-I1262 PolarHBondContact ND2-N 3.45Å |
| 1263 | K | 29.2 | Very low | 28.3 | Very low | 85 Ų | 85 | 113.5 Ų | 113.5 | 37% | 0.37 | 55% | 0.551 | S | S | . | * | | | trans | 65.6 | 151.9 | 168.7 | -74.4 | 158.1 | -179.2 | 62.7 | 0 | 117.5 | E629 T630 | E629-K1263 HydrophobicContact CG-CG 4.16Å; E629-K1263 WeakPolarHBondContact OE1-CE 3.43Å; E629-K1263 VanDerWaalsContact OE1-CG 3.23Å; E629-K1263 WeakPolarHBondContact OE1-CG 3.46Å; E629-K1263 IonicContact OE1-NZ 3.16Å; E629-K1263 WeakPolarHBondContact OE2-CE 3.39Å; E629-K1263 VanDerWaalsContact OE2-CG 3.3Å; E629-K1263 WeakPolarHBondContact OE2-CG 3.37Å; E629-K1263 IonicContact OE2-NZ 3.46Å; E629-K1263 PolarHBondContact OE2-NZ 3.03Å; T630-K1263 HydrophobicContact CG2-CB 4.43Å; T630-K1263 HydrophobicContact CG2-CG 3.79Å |
| 1264 | R | 29.7 | Very low | 28.4 | Very low | 186 Ų | 186 | 116.8 Ų | 116.8 | 70% | 0.702 | 57% | 0.57 | S | S | * | * | | | cis | -154.1 | 113.5 | -1.3 | -108.5 | 151.8 | -173.8 | 170 | -3.9 | 108.8 | E629 | E629-R1264 IonicContact OE1-NE 3.75Å; E629-R1264 PolarHBondContact OE1-NE 2.77Å; E629-R1264 IonicContact OE1-NH2 2.7Å |
| 1265 | T | 29.3 | Very low | 28.6 | Very low | 67 Ų | 67 | 118.7 Ų | 118.7 | 41% | 0.411 | 59% | 0.586 | S | S | . | * | | | | 67.5 | 130.6 | 84.6 | 62.6 | 0 | 0 | 0 | 0 | 118.7 | E629 | E629-T1265 HydrophobicContact CB-CG2 4.38Å; E629-T1265 HydrophobicContact CG-CG2 3.66Å |
| 1266 | K | 29.6 | Very low | 28.6 | Very low | 93 Ų | 93 | 118.2 Ų | 118.2 | 40% | 0.404 | 59% | 0.587 | S | S | . | * | | | trans | 77.9 | 143.5 | 159.7 | -71.8 | 179.5 | 169.2 | 179.9 | 0 | 117.4 | N625 N627 | N625-K1266 PolarHBondContact ND2-NZ 3.32Å; N625-K1266 WeakPolarHBondContact OD1-CE 3.27Å; N625-K1266 PolarHBondContact OD1-NZ 2.84Å; N625-K1266 VanDerWaalsContact OD1-NZ 3.1Å; N627-K1266 VanDerWaalsContact N-NZ 3.13Å; N627-K1266 WeakPolarHBondContact OD1-CE 3.39Å; N627-K1266 PolarHBondContact OD1-NZ 3.34Å |
| 1267 | R | 29.1 | Very low | 28.5 | Very low | 145 Ų | 145 | 120.6 Ų | 120.6 | 55% | 0.547 | 59% | 0.588 | S | S | . | * | | | cis | -158 | 135.3 | 13.9 | -151.2 | 175.4 | 169.8 | -172.5 | -10.5 | 112.8 | N625 | N625-R1267 VanDerWaalsContact CG-CZ 3.47Å; N625-R1267 PolarHBondContact ND2-NE 2.8Å; N625-R1267 PolarHBondContact OD1-NE 3.13Å |
| 1268 | R | 29.9 | Very low | 28.5 | Very low | 165 Ų | 165 | 121.5 Ų | 121.5 | 62% | 0.623 | 59% | 0.592 | S | S | * | * | | | trans | 42.6 | 144.6 | 149.5 | -71 | -174 | -179 | 155.6 | 3.8 | 120.7 | I624 | I624-R1268 PolarHBondContact O-NH1 3.05Å; I624-R1268 PolarHBondContact O-NH2 2.83Å; I624-R1268 VanDerWaalsContact O-NH2 3.1Å |
| 1269 | S | 32 | Very low | 28.4 | Very low | 71 Ų | 71 | 117.9 Ų | 117.9 | 50% | 0.497 | 59% | 0.588 | S | S | . | * | | | cis | -131.7 | -48.2 | 22.5 | -51 | 0 | 0 | 0 | 0 | 117.6 | Q47 | Q47-S1269 PolarHBondContact NE2-OG 3.39Š|
| 1270 | N | 30.1 | Very low | 28.2 | Very low | 75 Ų | 75 | 117.4 Ų | 117.4 | 40% | 0.401 | 60% | 0.596 | S | S | . | * | | | trans | -130.2 | 150.9 | -140.5 | -92 | 28.1 | 0 | 0 | 0 | 113.1 | Q47 N48 | Q47-N1270 HydrophobicContact CG-CB 3.61Å; N48-N1270 PolarHBondContact ND2-ND2 3.01Å; N48-N1270 PolarHBondContact OD1-ND2 2.62Å |
| 1271 | Q | 31.9 | Very low | 27.9 | Very low | 158 Ų | 158 | 119.1 Ų | 119.1 | 74% | 0.738 | 61% | 0.609 | S | S | * | * | | | cis | -136.7 | -173.9 | -15.5 | -72.8 | -146.7 | 88.6 | 0 | 0 | 109.3 | | |
| 1272 | S | 30.4 | Very low | 27.7 | Very low | 97 Ų | 97 | 125.6 Ų | 125.6 | 68% | 0.678 | 62% | 0.624 | S | S | * | * | | | trans | -147.4 | 168 | 166 | 57.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1273 | L | 27.3 | Very low | 27.5 | Very low | 142 Ų | 142 | 128.7 Ų | 128.7 | 74% | 0.743 | 64% | 0.639 | S | S | * | * | | | | -169.7 | 144 | 77.8 | -83.6 | 167.3 | 0 | 0 | 0 | 113.2 | | |
| 1274 | T | 27.9 | Very low | 27.4 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | | | trans | 47.4 | 134.3 | 139 | 61.7 | 0 | 0 | 0 | 0 | 123.8 | | |
| 1275 | P | 30 | Very low | 27.2 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 74% | 0.74 | 65% | 0.652 | S | S | * | * | | | trans | -89.5 | 171.8 | 133.7 | 37.7 | -32.2 | 0 | 0 | 0 | 112.4 | | |
| 1276 | I | 25.4 | Very low | 27.2 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 77% | 0.769 | 67% | 0.669 | S | S | * | * | | | trans | 91.6 | 129.9 | 165.6 | -53.9 | 172.3 | 0 | 0 | 0 | 118.2 | | |
| 1277 | H | 23.3 | Very low | 27 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 65% | 0.653 | 68% | 0.684 | S | S | * | * | | | trans | 80 | 130.8 | 159 | -100.6 | -64.7 | 0 | 0 | 0 | 123.3 | | |
| 1278 | F | 25 | Very low | 26.8 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 76% | 0.763 | 70% | 0.701 | S | S | * | * | | | trans | 61.3 | 164.4 | 157.8 | -60.3 | -58.8 | 0 | 0 | 0 | 116.4 | | |
| 1279 | N | 23.1 | Very low | 26.5 | Very low | 128 Ų | 128 | 134 Ų | 134 | 68% | 0.684 | 70% | 0.703 | S | S | * | * | | | cis | -140 | 164.8 | -4.9 | -151.2 | 3.1 | 0 | 0 | 0 | 111.3 | | |
| 1280 | C | 22.8 | Very low | 26.3 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 71% | 0.709 | 72% | 0.72 | S | S | * | * | | | trans | -77.8 | 120.1 | 147.1 | -176.7 | 0 | 0 | 0 | 0 | 107.4 | | |
| 1281 | N | 23.4 | Very low | 26 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | | | trans | -178.6 | 160.6 | 140.7 | -98.6 | -17.1 | 0 | 0 | 0 | 114.9 | | |
| 1282 | Y | 24.1 | Very low | 25.8 | Very low | 206 Ų | 206 | 137.3 Ų | 137.3 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | | | trans | -64.7 | 160.2 | 163.5 | -111.9 | -131.6 | 0 | 0 | 0 | 113.2 | | |
| 1283 | M | 24.9 | Very low | 25.7 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | | | trans | 72.4 | 135.6 | 151.6 | -63.5 | -84.3 | 95.8 | 0 | 0 | 121.2 | | |
| 1284 | N | 26.4 | Very low | 25.8 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 66% | 0.658 | 73% | 0.73 | S | S | * | * | | | trans | 20.6 | 131.6 | 135.2 | -49.7 | -13.2 | 0 | 0 | 0 | 120.3 | | |
| 1285 | D | 26.3 | Very low | 26 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | | | | -162.1 | 131.8 | 105.1 | -97 | -18 | 0 | 0 | 0 | 109.9 | | |
| 1286 | Q | 27.7 | Very low | 26 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | | | | 59.9 | 123.1 | 82.7 | -64.8 | -168.1 | 85.6 | 0 | 0 | 114.8 | | |
| 1287 | L | 25.1 | Very low | 26.3 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | | | | 173.2 | 69.7 | 127.1 | -91.3 | 170.4 | 0 | 0 | 0 | 113.8 | N1289 | L1287-N1289 HydrophobicContact CD2-CB 3.76Š|
| 1288 | L | 25.4 | Very low | 26.5 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 90% | 0.901 | 73% | 0.733 | S | S | * | * | | | trans | -136 | 94 | 133.5 | -94.8 | 172.1 | 0 | 0 | 0 | 103.6 | | |
| 1289 | N | 24.6 | Very low | 26.6 | Very low | 124 Ų | 124 | 138 Ų | 138 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | | | cis | 59.1 | 51.1 | 41.3 | -135.6 | 34.1 | 0 | 0 | 0 | 111.2 | L1287 | L1287-N1289 HydrophobicContact CD2-CB 3.76Š|
| 1290 | D | 26.6 | Very low | 26.5 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 85% | 0.845 | 74% | 0.743 | S | S | * | * | | | trans | -101.8 | 148 | 136.6 | -137.2 | -31.1 | 0 | 0 | 0 | 109.5 | | |
| 1291 | S | 25 | Very low | 26.7 | Very low | 98 Ų | 98 | 138 Ų | 138 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | | | trans | -78 | 150.6 | -163.3 | -57.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1292 | V | 27.4 | Very low | 26.8 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | | | | 160 | 111 | 123 | 154.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1293 | H | 29.2 | Very low | 26.9 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | trans | 60.5 | 147.2 | 153.1 | -70 | -125.2 | 0 | 0 | 0 | 116.4 | | |
| 1294 | N | 29.5 | Very low | 27 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 65% | 0.647 | 74% | 0.741 | S | S | * | * | | | cis | 172.7 | 167.9 | 6.4 | -105 | 8 | 0 | 0 | 0 | 104.1 | | |
| 1295 | L | 30.2 | Very low | 27 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 57% | 0.571 | 74% | 0.744 | S | S | * | * | | | cis | -175.8 | 121.3 | -22.7 | -168.7 | 76.3 | 0 | 0 | 0 | 105.8 | | |
| 1296 | Y | 30.3 | Very low | 27 | Very low | 218 Ų | 218 | 132.2 Ų | 132.2 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | | | trans | 62.2 | 160 | -174.1 | -40.5 | -63.9 | 0 | 0 | 0 | 113.6 | | |
| 1297 | G | 32.7 | Very low | 26.8 | Very low | 62 Ų | 62 | 128.7 Ų | 128.7 | 64% | 0.639 | 74% | 0.74 | S | S | * | * | | | cis | 165.3 | 154.2 | -3.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1298 | T | 27.5 | Very low | 26.9 | Very low | 140 Ų | 140 | 126.9 Ų | 126.9 | 86% | 0.859 | 74% | 0.739 | S | S | * | * | | | trans | 42.8 | 105.5 | 162.1 | 56.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 1299 | T | 26.1 | Very low | 27.1 | Very low | 140 Ų | 140 | 122.9 Ų | 122.9 | 86% | 0.859 | 73% | 0.726 | S | S | * | * | | | trans | -141.5 | 108.1 | 137.6 | 39.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1300 | S | 22.4 | Very low | 27.4 | Very low | 115 Ų | 115 | 126 Ų | 126 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | | | trans | -103.7 | 122.8 | 163.4 | -66 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1301 | C | 25.6 | Very low | 27.8 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 55.7 | -173.6 | -176 | -60 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1302 | S | 26.5 | Very low | 28.2 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | | | trans | 68.3 | 145.5 | 172.8 | -44.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1303 | S | 26.2 | Very low | 29 | Very low | 92 Ų | 92 | 124.3 Ų | 124.3 | 64% | 0.643 | 74% | 0.739 | S | S | * | * | | | cis | -177.2 | 174.6 | -13.6 | 48.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 1304 | L | 26.2 | Very low | 29.4 | Very low | 140 Ų | 140 | 122 Ų | 122 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | | | trans | 44 | 113.4 | 134 | -72.9 | 171.7 | 0 | 0 | 0 | 117.3 | | |
| 1305 | L | 26.1 | Very low | 29.8 | Very low | 139 Ų | 139 | 121.6 Ų | 121.6 | 73% | 0.728 | 74% | 0.742 | S | S | * | * | | | | -173.7 | 173.1 | 51.4 | -89.2 | 129.5 | 0 | 0 | 0 | 113.5 | | |
| 1306 | L | 25.8 | Very low | 30.1 | Very low | 142 Ų | 142 | 121.8 Ų | 121.8 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | | | trans | 70.4 | 108.3 | 144.2 | -105.2 | 67.8 | 0 | 0 | 0 | 120.7 | | |
| 1307 | S | 25 | Very low | 30.5 | Very low | 90 Ų | 90 | 117.5 Ų | 117.5 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | | | | 56.2 | 129.2 | 119.9 | 68.1 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1308 | S | 26.5 | Very low | 30.7 | Very low | 101 Ų | 101 | 120.2 Ų | 120.2 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | trans | 72.1 | 136.5 | 137.9 | 58.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 1309 | S | 29.2 | Very low | 31.1 | Very low | 89 Ų | 89 | 119.3 Ų | 119.3 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | | | trans | 66.4 | 117.4 | 146.1 | 54 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1310 | Q | 30.7 | Very low | 31.5 | Very low | 190 Ų | 190 | 118.7 Ų | 118.7 | 89% | 0.888 | 75% | 0.751 | S | S | * | * | | | trans | 72.7 | 148 | 140.9 | -60.9 | 170.3 | 36.1 | 0 | 0 | 116.7 | | |
| 1311 | S | 35.2 | Very low | 31.9 | Very low | 113 Ų | 113 | 118.7 Ų | 118.7 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | | | cis | -150.8 | 155.5 | -0.2 | 50.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1312 | S | 34 | Very low | 32.2 | Very low | 111 Ų | 111 | 119.4 Ų | 119.4 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | | | trans | -67 | -175.2 | 170.1 | -20.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1313 | P | 43.5 | Very low | 32.5 | Very low | 115 Ų | 115 | 117.6 Ų | 117.6 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | | | cis | -143.6 | -155.5 | 20.8 | 48.5 | -28.7 | 0 | 0 | 0 | 113.8 | | |
| 1314 | P | 38.5 | Very low | 32.7 | Very low | 108 Ų | 108 | 119.2 Ų | 119.2 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | | | cis | -127.6 | 147.6 | -22.4 | 32.5 | -15.2 | 0 | 0 | 0 | 115.3 | | |
| 1315 | P | 36.9 | Very low | 33 | Very low | 113 Ų | 113 | 120 Ų | 120 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 162.7 | 146.2 | 35.4 | -31.4 | 0 | 0 | 0 | 111.4 | | |
| 1316 | P | 37.9 | Very low | 33.3 | Very low | 113 Ų | 113 | 118.7 Ų | 118.7 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 155.8 | 176.1 | 29.2 | -35.2 | 0 | 0 | 0 | 112.8 | P1318 | P1316-P1318 WeakPolarHBondContact O-CD 3.45Š|
| 1317 | P | 38.7 | Very low | 33.6 | Very low | 128 Ų | 128 | 116.8 Ų | 116.8 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 127.6 | -162.1 | 31.8 | -35.5 | 0 | 0 | 0 | 115.1 | | |
| 1318 | P | 36 | Very low | 33.7 | Very low | 119 Ų | 119 | 117.4 Ų | 117.4 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 135.8 | 155.3 | 33.6 | -29.1 | 0 | 0 | 0 | 110.5 | P1316 T1320 | P1316-P1318 WeakPolarHBondContact O-CD 3.45Å; P1318-T1320 PolarHBondContact O-N 3.35Å |
| 1319 | S | 35.5 | Very low | 34.1 | Very low | 120 Ų | 120 | 120 Ų | 120 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 116.4 | -177.1 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1320 | T | 34.2 | Very low | 34 | Very low | 128 Ų | 128 | 122.5 Ų | 122.5 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 128 | 170.8 | 47.1 | 0 | 0 | 0 | 0 | 111.2 | P1318 | P1318-T1320 PolarHBondContact O-N 3.35Š|
| 1321 | T | 32.1 | Very low | 34.1 | Very low | 114 Ų | 114 | 119.9 Ų | 119.9 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | | 99 | 108 | 59.2 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1322 | T | 31.2 | Very low | 33.7 | Very low | 133 Ų | 133 | 118 Ų | 118 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | | | trans | 60.8 | 133.3 | 158.7 | 58.5 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1323 | G | 32.3 | Very low | 33.4 | Very low | 71 Ų | 71 | 119.4 Ų | 119.4 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | | | trans | 165.9 | 56.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1324 | V | 31.1 | Very low | 32.6 | Very low | 126 Ų | 126 | 121.8 Ų | 121.8 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | | | | 65.1 | 140.1 | 90.5 | -171.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1325 | I | 32.5 | Very low | 31.9 | Very low | 157 Ų | 157 | 120.9 Ų | 120.9 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | | | trans | 93.6 | 123.2 | -179.7 | -52.1 | -176.9 | 0 | 0 | 0 | 114.5 | | |
| 1326 | P | 32 | Very low | 31.4 | Very low | 111 Ų | 111 | 119.9 Ų | 119.9 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | | | trans | -104.4 | -158.7 | -178.3 | 43.4 | -37.7 | 0 | 0 | 0 | 112.6 | | |
| 1327 | S | 31.6 | Very low | 30.8 | Very low | 103 Ų | 103 | 123 Ų | 123 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | | | trans | 95.2 | 107.9 | 178.8 | -42.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1328 | S | 27.8 | Very low | 30.3 | Very low | 102 Ų | 102 | 124.1 Ų | 124.1 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | | | | 86.7 | 160.7 | 71.7 | 81.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1329 | L | 34.1 | Very low | 29.8 | Very low | 157 Ų | 157 | 124.3 Ų | 124.3 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | | | trans | 71.6 | 114.5 | -167 | -46 | 167.8 | 0 | 0 | 0 | 111 | | |
| 1330 | L | 28 | Very low | 29.3 | Very low | 140 Ų | 140 | 123 Ų | 123 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | | | | 45.5 | 125.7 | 64.3 | -76.8 | 92.3 | 0 | 0 | 0 | 112.5 | | |
| 1331 | P | 33 | Very low | 28.9 | Very low | 135 Ų | 135 | 123.4 Ų | 123.4 | 88% | 0.877 | 72% | 0.724 | S | S | * | * | | | | -123.4 | 131.8 | 79.6 | 4.7 | 16.2 | 0 | 0 | 0 | 114.4 | | |
| 1332 | S | 26.6 | Very low | 28.6 | Very low | 75 Ų | 75 | 122.9 Ų | 122.9 | 52% | 0.524 | 73% | 0.726 | S | S | . | * | | | trans | -76.6 | 177.1 | 149.1 | 52 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1333 | L | 27.2 | Very low | 28.4 | Very low | 139 Ų | 139 | 122.6 Ų | 122.6 | 73% | 0.728 | 72% | 0.719 | S | S | * | * | | | trans | 89.6 | 140 | 162.2 | -56.4 | 166.2 | 0 | 0 | 0 | 118.7 | | |
| 1334 | H | 27.5 | Very low | 28.1 | Very low | 165 Ų | 165 | 126.8 Ų | 126.8 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | | | trans | 66.6 | 135.2 | 153.3 | -66.4 | 133.8 | 0 | 0 | 0 | 118.5 | | |
| 1335 | S | 24.5 | Very low | 28 | Very low | 90 Ų | 90 | 127.5 Ų | 127.5 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | | | cis | -163.9 | -172.2 | -12.2 | -146.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1336 | T | 25.4 | Very low | 27.7 | Very low | 91 Ų | 91 | 128 Ų | 128 | 56% | 0.558 | 72% | 0.715 | S | S | * | * | | | trans | -10.5 | 129.5 | 139.3 | -21.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1337 | F | 26.3 | Very low | 27.7 | Very low | 179 Ų | 179 | 128.3 Ų | 128.3 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | | | | -143.4 | 141.1 | 51.4 | -82.8 | -96.9 | 0 | 0 | 0 | 111.3 | | |
| 1338 | H | 26.4 | Very low | 27.4 | Very low | 152 Ų | 152 | 126.7 Ų | 126.7 | 70% | 0.704 | 71% | 0.705 | S | S | * | * | | | | 73.1 | 147.9 | 65.8 | -146.6 | -71.7 | 0 | 0 | 0 | 112.5 | | |
| 1339 | V | 26.9 | Very low | 27.5 | Very low | 122 Ų | 122 | 129 Ų | 129 | 74% | 0.739 | 71% | 0.71 | S | S | * | * | | | trans | 74.7 | 128.7 | 175.5 | -175.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1340 | S | 24.8 | Very low | 27.1 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 64% | 0.643 | 71% | 0.707 | S | S | * | * | | | cis | -165 | 171.6 | -16.2 | -105.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1341 | N | 25.1 | Very low | 27.1 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | | | trans | -17.6 | 139.8 | 146.1 | -47 | -22.9 | 0 | 0 | 0 | 115.2 | | |
| 1342 | S | 27 | Very low | 26.7 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | | | | 156.1 | 151.3 | 109.1 | 56.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1343 | N | 25.8 | Very low | 26.6 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 67% | 0.674 | 71% | 0.707 | S | S | * | * | | | cis | -171.8 | -173.9 | -18.8 | -98 | -21.9 | 0 | 0 | 0 | 104.6 | | |
| 1344 | Q | 26.9 | Very low | 26.3 | Very low | 160 Ų | 160 | 132 Ų | 132 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | | | trans | 58.4 | 121.4 | 147.8 | -76.9 | 169.7 | 109.9 | 0 | 0 | 118.2 | | |
| 1345 | L | 28.3 | Very low | 26.1 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | | | cis | -148.5 | 140.9 | 13.4 | -78.2 | 123.3 | 0 | 0 | 0 | 107.3 | | |
| 1346 | F | 26.9 | Very low | 26 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 74% | 0.741 | 71% | 0.706 | S | S | * | * | | | | 58.3 | 144.7 | 72.7 | -82.8 | -96.8 | 0 | 0 | 0 | 114 | S1348 | F1346-S1348 WeakPolarHBondContact CD1-OG 3.31Å; F1346-S1348 WeakPolarHBondContact CE1-OG 3.29Å |
| 1347 | P | 30.8 | Very low | 25.8 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 75% | 0.753 | 71% | 0.712 | S | S | * | * | | | cis | -113.9 | 151 | 2.8 | 41.1 | -29.7 | 0 | 0 | 0 | 112 | | |
| 1348 | S | 26 | Very low | 25.7 | Very low | 69 Ų | 69 | 129.6 Ų | 129.6 | 48% | 0.483 | 71% | 0.711 | S | S | . | * | | | cis | 61.5 | 99.9 | 39 | 86.1 | 0 | 0 | 0 | 0 | 115.2 | F1346 | F1346-S1348 WeakPolarHBondContact CD1-OG 3.31Å; F1346-S1348 WeakPolarHBondContact CE1-OG 3.29Å |
| 1349 | N | 29.2 | Very low | 25.6 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 81% | 0.807 | 72% | 0.72 | S | S | * | * | | | trans | -162.2 | 117.5 | 141.1 | -101 | -19.9 | 0 | 0 | 0 | 112.2 | | |
| 1350 | Y | 26.2 | Very low | 25.5 | Very low | 195 Ų | 195 | 128.9 Ų | 128.9 | 77% | 0.765 | 72% | 0.716 | S | S | * | * | | | | 1.8 | 151.2 | 121.6 | -71.4 | -84.7 | 0 | 0 | 0 | 118.2 | | |
| 1351 | P | 28 | Very low | 25.5 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 75% | 0.747 | 72% | 0.718 | S | S | * | * | | | cis | -131.6 | 163 | 28.7 | 42 | -27.2 | 0 | 0 | 0 | 118.3 | | |
| 1352 | T | 25.8 | Very low | 25.5 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 59% | 0.589 | 72% | 0.718 | S | S | * | * | | | trans | -49.8 | -170.6 | 144.6 | 34.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1353 | Y | 23.1 | Very low | 25.5 | Very low | 201 Ų | 201 | 129.2 Ų | 129.2 | 79% | 0.788 | 72% | 0.718 | S | S | * | * | | | trans | 87.9 | 100.7 | -172.7 | -65.2 | -90.6 | 0 | 0 | 0 | 112.2 | | |
| 1354 | C | 21.9 | Very low | 25.5 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 68% | 0.682 | 72% | 0.716 | S | S | * | * | | | | 85.2 | 153.7 | 59 | -73.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1355 | N | 23 | Very low | 25.5 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | | | trans | 69.8 | 104.8 | 169.3 | -61.1 | -10.6 | 0 | 0 | 0 | 113.5 | | |
| 1356 | N | 22.3 | Very low | 25.5 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | | | | 97.6 | 163.4 | 62.6 | -84 | -11.4 | 0 | 0 | 0 | 109.3 | | |
| 1357 | S | 22.3 | Very low | 25.5 | Very low | 98 Ų | 98 | 123.3 Ų | 123.3 | 69% | 0.685 | 69% | 0.69 | S | S | * | * | | | trans | 62.6 | 107.3 | 157.5 | 41.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1358 | S | 23.3 | Very low | 25.3 | Very low | 109 Ų | 109 | 120.3 Ų | 120.3 | 76% | 0.762 | 67% | 0.672 | S | S | * | * | | | | 58.2 | 98.7 | 74.2 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1359 | N | 24.1 | Very low | 25.3 | Very low | 164 Ų | 164 | 121 Ų | 121 | 88% | 0.877 | 67% | 0.67 | S | S | * | * | | | trans | 160.9 | 140.7 | 152.2 | -83.3 | -17.8 | 0 | 0 | 0 | 104.1 | | |
| 1360 | S | 24.4 | Very low | 25.1 | Very low | 96 Ų | 96 | 119.1 Ų | 119.1 | 67% | 0.671 | 66% | 0.659 | S | S | * | * | | | cis | 159.2 | 144.3 | 19.2 | 155.1 | 0 | 0 | 0 | 0 | 102.9 | | |
| 1361 | I | 24.9 | Very low | 25.1 | Very low | 132 Ų | 132 | 116.2 Ų | 116.2 | 68% | 0.677 | 65% | 0.652 | S | S | * | * | | | cis | -156.8 | 159.3 | 2.6 | -119.2 | 169.3 | 0 | 0 | 0 | 108.9 | | |
| 1362 | N | 25.3 | Very low | 24.9 | Very low | 138 Ų | 138 | 116.3 Ų | 116.3 | 74% | 0.738 | 65% | 0.647 | S | S | * | * | | | trans | -0.1 | 140.6 | 156 | -32.2 | -27.4 | 0 | 0 | 0 | 120.4 | I1364 | N1362-I1364 HydrophobicContact CB-CD1 4.35Š|
| 1363 | G | 26.9 | Very low | 24.9 | Very low | 70 Ų | 70 | 119.2 Ų | 119.2 | 72% | 0.722 | 66% | 0.657 | S | S | * | * | | | trans | 163.2 | 93.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1364 | I | 27 | Very low | 24.9 | Very low | 125 Ų | 125 | 113 Ų | 113 | 64% | 0.641 | 64% | 0.643 | S | S | * | * | | | | 79.3 | 88.9 | 53 | -53.1 | 169.5 | 0 | 0 | 0 | 113.1 | N1362 | N1362-I1364 HydrophobicContact CB-CD1 4.35Š|
| 1365 | N | 26.3 | Very low | 25.1 | Very low | 98 Ų | 98 | 112.3 Ų | 112.3 | 52% | 0.524 | 63% | 0.632 | S | S | . | * | | | | 52.9 | 95.5 | 110.3 | -52.4 | 16.3 | 0 | 0 | 0 | 120.3 | V576 D577 | V576-N1365 WeakPolarHBondContact O-CA 3.39Å; V576-N1365 VanDerWaalsContact O-CB 3.26Å; V576-N1365 WeakPolarHBondContact O-CB 3.23Å; D577-N1365 CarbonylContact O-C 3.6Å; D577-N1365 WeakPolarHBondContact O-CA 3.07Å; D577-N1365 PolarHBondContact O-N 2.82Å; D577-N1365 VanDerWaalsContact O-N 3.12Å |
| 1366 | H | 27.3 | Very low | 25.2 | Very low | 140 Ų | 140 | 109.2 Ų | 109.2 | 65% | 0.648 | 62% | 0.615 | S | S | * | * | | | trans | 177 | 129.9 | 148.4 | -103.6 | 80.1 | 0 | 0 | 0 | 119.3 | V576 D577 T578 | V576-H1366 HydrophobicContact CB-CB 4.49Å; V576-H1366 HydrophobicContact CG1-CB 4.23Å; D577-H1366 VanDerWaalsContact C-N 3.35Å; D577-H1366 PolarHBondContact O-N 2.88Å; T578-H1366 WeakPolarHBondContact CB-O 3.34Å; T578-H1366 WeakPolarHBondContact CG2-O 3.04Å; T578-H1366 VanDerWaalsContact OG1-CA 3.25Å; T578-H1366 WeakPolarHBondContact OG1-CA 3.33Å; T578-H1366 PolarHBondContact OG1-N 3.38Å; T578-H1366 PolarHBondContact OG1-O 3.39Å |
| 1367 | Q | 27.7 | Very low | 25.5 | Very low | 108 Ų | 108 | 108.9 Ų | 108.9 | 51% | 0.505 | 61% | 0.613 | S | S | . | * | | | | 159.6 | -161 | -92.6 | 176 | 80.8 | -117.8 | 0 | 0 | 110.1 | D577 T578 | D577-Q1367 HydrophobicContact CB-CB 3.96Å; D577-Q1367 HydrophobicContact CB-CG 3.76Å; T578-Q1367 HydrophobicContact CG2-CB 4.2Å |
| 1368 | S | 26 | Very low | 25.6 | Very low | 52 Ų | 52 | 109.4 Ų | 109.4 | 36% | 0.364 | 61% | 0.613 | S | S | . | * | | | trans | 67.5 | 146 | -175.6 | 86.2 | 0 | 0 | 0 | 0 | 116.2 | S575 | S575-S1368 WeakPolarHBondContact O-CA 3.41Å; S575-S1368 WeakPolarHBondContact O-CB 3.45Å; S575-S1368 PolarHBondContact O-N 3.32Å |
| 1369 | L | 26.1 | Very low | 25.8 | Very low | 83 Ų | 83 | 109.6 Ų | 109.6 | 44% | 0.435 | 61% | 0.614 | S | S | . | * | | | cis | -156 | -158.9 | -18.2 | -146.6 | 75.2 | 0 | 0 | 0 | 109.2 | S575 | S575-L1369 VanDerWaalsContact O-CD1 3.22Å; S575-L1369 WeakPolarHBondContact O-CD1 3.43Å |
| 1370 | L | 25.2 | Very low | 25.9 | Very low | 113 Ų | 113 | 109 Ų | 109 | 59% | 0.592 | 61% | 0.606 | S | S | * | * | | | trans | -8.6 | 145.7 | 145.4 | -61.1 | 179.6 | 0 | 0 | 0 | 116.2 | | |
| 1371 | H | 25.6 | Very low | 25.9 | Very low | 134 Ų | 134 | 112.3 Ų | 112.3 | 62% | 0.62 | 61% | 0.611 | S | S | * | * | | | cis | -162.2 | 136.4 | 37.2 | -127.8 | -0.4 | 0 | 0 | 0 | 110.5 | | |
| 1372 | N | 24.9 | Very low | 25.9 | Very low | 117 Ų | 117 | 112 Ų | 112 | 63% | 0.626 | 61% | 0.61 | S | S | * | * | | | | 88.1 | 156.7 | 103.2 | -90.6 | 17.7 | 0 | 0 | 0 | 117.4 | | |
| 1373 | I | 25 | Very low | 25.9 | Very low | 157 Ų | 157 | 112.7 Ų | 112.7 | 81% | 0.805 | 61% | 0.613 | S | S | * | * | | | trans | 69.2 | 109.7 | 168.1 | -60.5 | 141.1 | 0 | 0 | 0 | 113.6 | | |
| 1374 | S | 23.7 | Very low | 26 | Very low | 71 Ų | 71 | 118 Ų | 118 | 50% | 0.497 | 61% | 0.611 | S | S | . | * | | | cis | 95.1 | 76.9 | 38.3 | -171.6 | 0 | 0 | 0 | 0 | 115.2 | I777 | I777-S1374 WeakPolarHBondContact CD1-OG 3.41Š|
| 1375 | L | 26.6 | Very low | 26 | Very low | 86 Ų | 86 | 119.1 Ų | 119.1 | 45% | 0.45 | 62% | 0.624 | S | S | . | * | | | | 64.3 | 162.5 | 116.1 | -92.4 | 113.3 | 0 | 0 | 0 | 123.5 | I777 N778 | I777-L1375 HydrophobicContact CB-CD2 4.16Å; I777-L1375 HydrophobicContact CD1-CB 4.4Å; I777-L1375 HydrophobicContact CG1-CB 3.52Å; I777-L1375 HydrophobicContact CG1-CD1 4.06Å; I777-L1375 HydrophobicContact CG1-CD2 3.81Å; I777-L1375 HydrophobicContact CG1-CG 3.99Å; I777-L1375 HydrophobicContact CG2-CD1 3.81Å; I777-L1375 HydrophobicContact CG2-CD2 4.01Å; I777-L1375 HydrophobicContact CG2-CG 4.39Å; N778-L1375 HydrophobicContact CB-CD2 4.4Å; N778-L1375 WeakPolarHBondContact OD1-CD2 3.11Å |
| 1376 | N | 25.2 | Very low | 26 | Very low | 65 Ų | 65 | 122.1 Ų | 122.1 | 35% | 0.348 | 64% | 0.64 | S | S | . | * | | | trans | 71 | 140.3 | 173.1 | -94.2 | 82.7 | 0 | 0 | 0 | 115.4 | H776 | H776-N1376 PolarHBondContact CD2-ND2 2.76Å; H776-N1376 PolarHBondContact CE1-ND2 2.86Å; H776-N1376 PolarHBondContact ND1-ND2 2.78Å; H776-N1376 PolarHBondContact NE2-ND2 3Å |
| 1377 | D | 27.1 | Very low | 26 | Very low | 130 Ų | 130 | 123.8 Ų | 123.8 | 70% | 0.695 | 64% | 0.642 | S | S | * | * | | | cis | -124 | 151.7 | 19.7 | -73.6 | -50.4 | 0 | 0 | 0 | 115.8 | H776 | H776-D1377 IonicContact CE1-OD1 3.22Å; H776-D1377 PolarHBondContact CE1-OD1 2.99Å; H776-D1377 VanDerWaalsContact CE1-OD1 3.22Å; H776-D1377 IonicContact NE2-OD1 3.35Å |
| 1378 | T | 25.8 | Very low | 25.9 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 68% | 0.675 | 66% | 0.656 | S | S | * | * | | | trans | -147.7 | 120.5 | 159.3 | 22.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1379 | S | 26.2 | Very low | 26.1 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | | | trans | -165.1 | 138.2 | 174 | -94.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1380 | Q | 25.7 | Very low | 26.3 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | | | trans | 56.2 | 97.4 | 158.6 | -49.7 | -57 | -7.2 | 0 | 0 | 119.8 | | |
| 1381 | H | 26.2 | Very low | 26.6 | Very low | 166 Ų | 166 | 140 Ų | 140 | 77% | 0.769 | 71% | 0.712 | S | S | * | * | | | | -167.4 | 105.6 | 107 | -102.1 | -83.8 | 0 | 0 | 0 | 107.3 | | |
| 1382 | L | 24.9 | Very low | 26.8 | Very low | 126 Ų | 126 | 144 Ų | 144 | 66% | 0.66 | 72% | 0.723 | S | S | * | * | | | | 72.1 | 126.1 | 90.3 | -90 | 158.8 | 0 | 0 | 0 | 115.3 | | |
| 1383 | L | 25 | Very low | 27 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 80% | 0.796 | 73% | 0.731 | S | S | * | * | | | trans | 74 | 78.1 | 162.4 | -55.7 | 172.1 | 0 | 0 | 0 | 120.2 | | |
| 1384 | R | 27.4 | Very low | 27.1 | Very low | 180 Ų | 180 | 144.6 Ų | 144.6 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | | | | -177.5 | 103.7 | 129.3 | -106.6 | 173.3 | 169.8 | 118.7 | -4.7 | 112.8 | H674 | H674-R1384 PolarHBondContact CD2-NH2 2.8Š|
| 1385 | T | 27.2 | Very low | 27.4 | Very low | 149 Ų | 149 | 147.4 Ų | 147.4 | 91% | 0.914 | 74% | 0.737 | S | S | * | * | | | trans | -140.4 | 27.8 | 170.7 | 6.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1386 | D | 27.7 | Very low | 27.4 | Very low | 162 Ų | 162 | 148.6 Ų | 148.6 | 87% | 0.866 | 74% | 0.743 | S | S | * | * | | | trans | -117.4 | 65.6 | 176.3 | -97 | -49.4 | 0 | 0 | 0 | 110.9 | | |
| 1387 | Y | 25.9 | Very low | 27.6 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 68% | 0.682 | 74% | 0.736 | S | S | * | * | | | trans | -161.9 | 164.1 | 162.5 | -131.3 | -133.1 | 0 | 0 | 0 | 111.4 | E671 | E671-Y1387 WeakPolarHBondContact OE1-CE1 3.4Š|
| 1388 | I | 27.4 | Very low | 27.5 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 82% | 0.815 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 64.8 | 59.6 | 179.6 | -35.9 | 179.9 | 0 | 0 | 0 | 115.7 | | |
| 1389 | L | 28.2 | Very low | 27.6 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 89% | 0.89 | 72% | 0.722 | S | S | * | * | | | trans | -146.8 | 21.9 | 146.3 | -114.7 | -178.6 | 0 | 0 | 0 | 114.5 | | |
| 1390 | Q | 30.7 | Very low | 27.7 | Very low | 198 Ų | 198 | 146.7 Ų | 146.7 | 93% | 0.925 | 72% | 0.716 | S | S | * | * | | | trans | -109.1 | 28.2 | -176.9 | -152.4 | 167.1 | 93.3 | 0 | 0 | 114.3 | | |
| 1391 | K | 32.7 | Very low | 27.8 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -115 | 103.3 | 165.1 | -82.7 | 179.9 | 176.2 | 170.8 | 0 | 109.5 | | |
| 1392 | Y | 28.7 | Very low | 27.9 | Very low | 218 Ų | 218 | 145 Ų | 145 | 86% | 0.855 | 72% | 0.715 | S | S | * | * | | | trans | 66.7 | 115.7 | 175.7 | -45.3 | -79.1 | 0 | 0 | 0 | 117.4 | | |
| 1393 | P | 29.3 | Very low | 28.1 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | | | trans | -121.1 | 115.8 | 152.2 | 33.6 | -21.3 | 0 | 0 | 0 | 111 | | |
| 1394 | Y | 27.7 | Very low | 28.3 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 64% | 0.643 | 71% | 0.714 | S | S | * | * | | | trans | -152.7 | 150.7 | 170.8 | -108.8 | -87.9 | 0 | 0 | 0 | 109.2 | I1086 | I1086-Y1394 HydrophobicContact CB-CE1 4.47Å; I1086-Y1394 HydrophobicContact CD1-CE1 4.3Å |
| 1395 | V | 30 | Very low | 28.2 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 79% | 0.788 | 72% | 0.718 | S | S | * | * | | | trans | 71 | 134.1 | -176.8 | -168.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1396 | I | 26 | Very low | 28.3 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 57% | 0.569 | 71% | 0.713 | S | S | * | * | | | cis | 179.9 | 163 | -44.7 | -105.8 | 163.1 | 0 | 0 | 0 | 106.4 | A140 | A140-I1396 HydrophobicContact CB-CG2 3.93Š|
| 1397 | T | 29.4 | Very low | 28.3 | Very low | 34 Ų | 34 | 143.2 Ų | 143.2 | 21% | 0.209 | 71% | 0.705 | C | S | . | * | | | trans | 134.2 | 139.6 | 148.1 | 60.6 | 0 | 0 | 0 | 0 | 114.2 | P137 L138 F139 A140 | P137-T1397 WeakPolarHBondContact CB-O 3.47Å; L138-T1397 WeakPolarHBondContact CD2-OG1 3.46Å; L138-T1397 WeakPolarHBondContact CG-OG1 3.1Å; L138-T1397 VanDerWaalsContact N-C 3.28Å; L138-T1397 PolarHBondContact N-O 2.69Å; L138-T1397 WeakPolarHBondContact O-CB 3.5Å; L138-T1397 PolarHBondContact O-OG1 2.77Å; F139-T1397 VanDerWaalsContact N-CB 3.29Å; A140-T1397 HydrophobicContact CB-CG2 4.44Å |
| 1398 | D | 24.4 | Very low | 28.2 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 60% | 0.604 | 71% | 0.711 | S | S | * | * | | | trans | -112.4 | 114 | 177.6 | 34.2 | -155.5 | 0 | 0 | 0 | 121.7 | P137 F139 | P137-D1398 HydrophobicContact CB-CB 3.69Å; P137-D1398 WeakPolarHBondContact CB-OD1 3.31Å; F139-D1398 CarbonylContact C-O 3.17Å; F139-D1398 WeakPolarHBondContact CA-O 3.38Å; F139-D1398 VanDerWaalsContact N-CA 3.26Å; F139-D1398 PolarHBondContact N-O 3.35Å; F139-D1398 CarbonylContact O-C 3.57Å; F139-D1398 WeakPolarHBondContact O-CA 3.34Å; F139-D1398 PolarHBondContact O-N 2.95Å |
| 1399 | N | 28.8 | Very low | 28.2 | Very low | 88 Ų | 88 | 140 Ų | 140 | 47% | 0.471 | 70% | 0.698 | S | S | . | * | | | trans | -138.2 | -146.7 | -171.4 | -154.1 | 58.3 | 0 | 0 | 0 | 120.9 | P137 L138 F139 | P137-N1399 PolarHBondContact O-N 2.69Å; L138-N1399 VanDerWaalsContact C-CB 3.47Å; L138-N1399 VanDerWaalsContact CA-CB 3.41Å; L138-N1399 HydrophobicContact CB-CB 4.3Å; F139-N1399 HydrophobicContact CB-CB 3.97Å; F139-N1399 WeakPolarHBondContact CB-OD1 3.26Å |
| 1400 | E | 28.6 | Very low | 28.2 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 67% | 0.668 | 67% | 0.669 | S | S | * | * | | | trans | -164.9 | 161.1 | -136.4 | -67.9 | -165.8 | -149.9 | 0 | 0 | 112.2 | | |
| 1401 | N | 27.4 | Very low | 28.1 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 66% | 0.663 | 65% | 0.649 | S | S | * | * | | | cis | -165.4 | 170.9 | -10.9 | -113.6 | -40.5 | 0 | 0 | 0 | 112.7 | | |
| 1402 | M | 27.6 | Very low | 27.9 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 78% | 0.778 | 64% | 0.64 | S | S | * | * | | | trans | 108.4 | 117.9 | 155.8 | -66 | -68.1 | 163.1 | 0 | 0 | 122.3 | | |
| 1403 | N | 29.2 | Very low | 27.8 | Very low | 136 Ų | 136 | 122 Ų | 122 | 73% | 0.727 | 64% | 0.635 | S | S | * | * | | | trans | 68.9 | 86.9 | 141 | -69.9 | 5.3 | 0 | 0 | 0 | 124 | | |
| 1404 | D | 28.9 | Very low | 28.3 | Very low | 135 Ų | 135 | 122.1 Ų | 122.1 | 72% | 0.722 | 63% | 0.628 | S | S | * | * | | | | 49.2 | 134 | 101.5 | -79.3 | 32.2 | 0 | 0 | 0 | 125.3 | | |
| 1405 | N | 26.6 | Very low | 28.5 | Very low | 141 Ų | 141 | 120 Ų | 120 | 75% | 0.754 | 64% | 0.635 | S | S | * | * | | | trans | 75.3 | 100.2 | 139.3 | -74.7 | -49 | 0 | 0 | 0 | 122 | | |
| 1406 | K | 28.4 | Very low | 28.7 | Very low | 185 Ų | 185 | 120.1 Ų | 120.1 | 80% | 0.804 | 63% | 0.63 | S | S | * | * | | | | -171.8 | 127.9 | 113.2 | -110.3 | -175.9 | 172.1 | -176.7 | 0 | 115.6 | | |
| 1407 | L | 28.9 | Very low | 28.8 | Very low | 135 Ų | 135 | 123.8 Ų | 123.8 | 71% | 0.707 | 64% | 0.637 | S | S | * | * | | | trans | 56.8 | 123.2 | 147.8 | -60.1 | 162.6 | 0 | 0 | 0 | 118.4 | | |
| 1408 | M | 24.2 | Very low | 28.7 | Very low | 163 Ų | 163 | 129.9 Ų | 129.9 | 80% | 0.803 | 67% | 0.667 | S | S | * | * | | | | 53.8 | 126.5 | 70.6 | -65.3 | 179.6 | 167.3 | 0 | 0 | 112.4 | | |
| 1409 | N | 25.5 | Very low | 28.7 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 54% | 0.54 | 67% | 0.667 | S | S | . | * | | | cis | -161.7 | 161 | 45.2 | -118 | -9.9 | 0 | 0 | 0 | 108.5 | Y794 N795 | Y794-N1409 CarbonylContact C-O 3.45Å; Y794-N1409 VanDerWaalsContact O-O 3.05Å; N795-N1409 PolarHBondContact N-O 2.66Å |
| 1410 | E | 30 | Very low | 28.6 | Very low | 62 Ų | 62 | 132.7 Ų | 132.7 | 29% | 0.29 | 68% | 0.676 | S | S | . | * | | | cis | -169.7 | -146 | 38.1 | -149.4 | 173.5 | 127 | 0 | 0 | 110.2 | Y794 N795 Q796 N797 | Y794-E1410 WeakPolarHBondContact CB-O 3.26Å; N795-E1410 HydrophobicContact CB-CB 3.5Å; Q796-E1410 WeakPolarHBondContact CG-OE2 3.33Å; Q796-E1410 PolarHBondContact NE2-OE2 2.85Å; N797-E1410 PolarHBondContact ND2-OE1 3.37Å |
| 1411 | S | 27.1 | Very low | 28.4 | Very low | 72 Ų | 72 | 131 Ų | 131 | 50% | 0.503 | 68% | 0.675 | S | S | . | * | | | trans | -83.1 | -155 | 177.1 | -55.5 | 0 | 0 | 0 | 0 | 113.3 | Y794 N795 | Y794-S1411 WeakPolarHBondContact CB-O 3.35Å; Y794-S1411 WeakPolarHBondContact CD1-O 3.31Å; N795-S1411 WeakPolarHBondContact CB-O 3.18Å; N795-S1411 PolarHBondContact ND2-O 3.44Å; N795-S1411 PolarHBondContact OD1-O 2.99Å |
| 1412 | L | 28.8 | Very low | 28.2 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 56% | 0.56 | 68% | 0.68 | S | S | * | * | | | cis | -134.8 | -128.5 | 14.9 | -71.7 | 166.5 | 0 | 0 | 0 | 111.8 | | |
| 1413 | N | 27.2 | Very low | 28 | Very low | 139 Ų | 139 | 128.8 Ų | 128.8 | 74% | 0.743 | 68% | 0.675 | S | S | * | * | | | trans | -166.5 | 179.4 | -172.3 | -123.7 | -91.5 | 0 | 0 | 0 | 116.9 | | |
| 1414 | L | 39.1 | Very low | 27.7 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 65% | 0.649 | 68% | 0.677 | S | S | * | * | | | trans | -31.6 | 163.2 | 168.8 | -99.5 | 79.2 | 0 | 0 | 0 | 120.1 | L1416 | L1414-L1416 HydrophobicContact CD2-CD1 4.05Å; L1414-L1416 HydrophobicContact CD2-CG 4Å |
| 1415 | P | 31.8 | Very low | 27.5 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 78% | 0.779 | 68% | 0.678 | S | S | * | * | | | | -139.8 | 161.8 | 98.2 | 39.1 | -26.6 | 0 | 0 | 0 | 114.4 | | |
| 1416 | L | 33.6 | Very low | 27.4 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 69% | 0.686 | 68% | 0.676 | S | S | * | * | | | cis | 86.8 | 131.7 | 18 | -91.6 | 172.6 | 0 | 0 | 0 | 119.8 | L1414 | L1414-L1416 HydrophobicContact CD2-CD1 4.05Å; L1414-L1416 HydrophobicContact CD2-CG 4Å |
| 1417 | R | 28.6 | Very low | 27.2 | Very low | 188 Ų | 188 | 124 Ų | 124 | 71% | 0.709 | 67% | 0.671 | S | S | * | * | | | trans | 73.4 | 158.6 | 163.7 | -64.7 | -176.2 | 178.1 | -167.9 | -2.3 | 115.5 | F1419 | R1417-F1419 HydrophobicContact CB-CD2 4.4Å; R1417-F1419 HydrophobicContact CG-CD2 3.93Å; R1417-F1419 HydrophobicContact CG-CE2 4.25Å |
| 1418 | L | 27.5 | Very low | 27.1 | Very low | 163 Ų | 163 | 123.4 Ų | 123.4 | 85% | 0.853 | 67% | 0.668 | S | S | * | * | | | cis | -124.2 | 158.6 | 27.9 | -63 | 152.7 | 0 | 0 | 0 | 112.5 | | |
| 1419 | F | 25.4 | Very low | 27.2 | Very low | 134 Ų | 134 | 121.8 Ų | 121.8 | 59% | 0.588 | 66% | 0.663 | S | S | * | * | | | cis | 89.8 | 111.6 | 32.4 | -97.5 | -90.6 | 0 | 0 | 0 | 117.6 | R1417 | R1417-F1419 HydrophobicContact CB-CD2 4.4Å; R1417-F1419 HydrophobicContact CG-CD2 3.93Å; R1417-F1419 HydrophobicContact CG-CE2 4.25Å |
| 1420 | N | 25.2 | Very low | 27.4 | Very low | 126 Ų | 126 | 122 Ų | 122 | 67% | 0.674 | 67% | 0.668 | S | S | * | * | | | trans | 80.1 | 130.8 | 137.6 | -99 | 22.6 | 0 | 0 | 0 | 125.4 | | |
| 1421 | T | 25.8 | Very low | 27.4 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 65% | 0.65 | 69% | 0.685 | S | S | * | * | | | trans | 72.2 | 127.1 | 135 | 52.5 | 0 | 0 | 0 | 0 | 124.3 | | |
| 1422 | N | 23.3 | Very low | 27.4 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | | | trans | 73.3 | 95.2 | 130.7 | -64.8 | 15.4 | 0 | 0 | 0 | 122 | | |
| 1423 | S | 23.2 | Very low | 27.3 | Very low | 95 Ų | 95 | 127.8 Ų | 127.8 | 66% | 0.664 | 70% | 0.696 | S | S | * | * | | | | 68 | 135 | 116.2 | 70 | 0 | 0 | 0 | 0 | 122.9 | | |
| 1424 | N | 23.1 | Very low | 27.3 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 78% | 0.781 | 70% | 0.698 | S | S | * | * | | | trans | 95.4 | 151.4 | 141.7 | -72.3 | -6.4 | 0 | 0 | 0 | 122.1 | | |
| 1425 | T | 24.4 | Very low | 26.8 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | | | trans | 72.7 | 102.3 | 161.4 | 36.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 1426 | T | 23.9 | Very low | 26.3 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 71% | 0.712 | 69% | 0.691 | S | S | * | * | | | | 41.4 | 134.4 | 117.1 | 58.3 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1427 | T | 25.1 | Very low | 25.9 | Very low | 113 Ų | 113 | 130 Ų | 130 | 69% | 0.693 | 69% | 0.693 | S | S | * | * | | | cis | -169.3 | 167.7 | 24.4 | 1.2 | 0 | 0 | 0 | 0 | 106.4 | | |
| 1428 | N | 26.5 | Very low | 25.9 | Very low | 121 Ų | 121 | 127 Ų | 127 | 65% | 0.647 | 69% | 0.691 | S | S | * | * | | | cis | -177.7 | 156 | 48.5 | -129.1 | -17.5 | 0 | 0 | 0 | 109.6 | | |
| 1429 | N | 26.7 | Very low | 25.8 | Very low | 129 Ų | 129 | 124.6 Ų | 124.6 | 69% | 0.69 | 68% | 0.683 | S | S | * | * | | | trans | 64.6 | 142.3 | 149.8 | -65.8 | -18.7 | 0 | 0 | 0 | 119.6 | | |
| 1430 | T | 29.4 | Very low | 25.8 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 65% | 0.65 | 70% | 0.695 | S | S | * | * | | | cis | -154.8 | 151.8 | 3.9 | -2.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1431 | N | 28.9 | Very low | 25.9 | Very low | 119 Ų | 119 | 121.5 Ų | 121.5 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | | | trans | 72.1 | 106.3 | 144.3 | -69.1 | -17.5 | 0 | 0 | 0 | 121.1 | | |
| 1432 | N | 28.7 | Very low | 25.9 | Very low | 124 Ų | 124 | 121.3 Ų | 121.3 | 66% | 0.663 | 70% | 0.701 | S | S | * | * | | | | 80.4 | 147.8 | 115.4 | -60.5 | -11.8 | 0 | 0 | 0 | 119.8 | | |
| 1433 | N | 26.5 | Very low | 26.2 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | | | cis | -179.2 | 148.9 | -27.6 | -105.9 | -11.8 | 0 | 0 | 0 | 106.9 | | |
| 1434 | N | 26.1 | Very low | 26.4 | Very low | 146 Ų | 146 | 125 Ų | 125 | 78% | 0.781 | 71% | 0.705 | S | S | * | * | | | trans | 63.9 | 167.3 | 159.2 | -57.9 | -17 | 0 | 0 | 0 | 114.7 | | |
| 1435 | V | 28.5 | Very low | 26.7 | Very low | 110 Ų | 110 | 124.2 Ų | 124.2 | 67% | 0.667 | 70% | 0.7 | S | S | * | * | | | cis | -146.8 | 132.1 | -10.8 | 110.3 | 0 | 0 | 0 | 0 | 104.6 | | |
| 1436 | L | 23 | Very low | 26.8 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 63% | 0.628 | 69% | 0.694 | S | S | * | * | | | | 66.5 | 139.7 | 80.6 | -121.8 | -177.5 | 0 | 0 | 0 | 114 | | |
| 1437 | Y | 25 | Very low | 27.1 | Very low | 184 Ų | 184 | 126.9 Ų | 126.9 | 72% | 0.722 | 70% | 0.699 | S | S | * | * | | | trans | 70.7 | 152.3 | 174.9 | -57.5 | -66.4 | 0 | 0 | 0 | 116.2 | | |
| 1438 | D | 28 | Very low | 27.2 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 67% | 0.674 | 70% | 0.695 | S | S | * | * | | | cis | -149.3 | 166.7 | 4.3 | -132.7 | -26.9 | 0 | 0 | 0 | 116.6 | | |
| 1439 | T | 25.9 | Very low | 27.2 | Very low | 112 Ų | 112 | 128 Ų | 128 | 69% | 0.687 | 70% | 0.699 | S | S | * | * | | | trans | -41.4 | 173 | 160 | 54.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1440 | C | 23.8 | Very low | 27.4 | Very low | 124 Ų | 124 | 128.5 Ų | 128.5 | 84% | 0.838 | 70% | 0.702 | S | S | * | * | | | cis | -172.7 | 170.3 | -16.2 | 52.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1441 | G | 28.8 | Very low | 27.3 | Very low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 71% | 0.706 | S | S | * | * | | | trans | 136.9 | 99.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 1442 | S | 25.9 | Very low | 27.2 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | | | | 83.1 | 103.2 | 53.4 | -175.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1443 | F | 29.4 | Very low | 27.2 | Very low | 197 Ų | 197 | 130.3 Ų | 130.3 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | | | trans | 175.1 | 108.8 | 140.3 | -88.9 | -65.3 | 0 | 0 | 0 | 105.9 | | |
| 1444 | N | 26.2 | Very low | 27.3 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | | | | 58 | 131.8 | 91.3 | -83 | 65 | 0 | 0 | 0 | 113.5 | | |
| 1445 | D | 30.7 | Very low | 27.5 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | | | cis | -147.7 | 138.6 | 28 | -93.3 | -56.5 | 0 | 0 | 0 | 116.5 | | |
| 1446 | N | 25.8 | Very low | 27.5 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 62% | 0.615 | 72% | 0.717 | S | S | * | * | | | trans | 27.4 | 115.3 | 133.1 | -64.1 | -68.3 | 0 | 0 | 0 | 122.8 | | |
| 1447 | H | 31.1 | Very low | 27.8 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 83% | 0.829 | 73% | 0.725 | S | S | * | * | | | | -169.1 | 100.5 | 118.8 | -112.7 | -83.4 | 0 | 0 | 0 | 109.8 | | |
| 1448 | L | 26.5 | Very low | 28 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 60% | 0.597 | 73% | 0.733 | S | S | * | * | | | | 54.5 | 106.3 | 97.9 | -79.3 | 92.5 | 0 | 0 | 0 | 114.7 | | |
| 1449 | I | 27.1 | Very low | 28 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | | | | 75.2 | 121.5 | 88.4 | -73.2 | 173.8 | 0 | 0 | 0 | 110.7 | | |
| 1450 | N | 30.1 | Very low | 28.1 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | | | | -157.6 | 134.9 | 65.8 | -152.2 | 25.3 | 0 | 0 | 0 | 115 | | |
| 1451 | N | 26.9 | Very low | 28.4 | Very low | 138 Ų | 138 | 134 Ų | 134 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | | | trans | -89.4 | 159.7 | 151.8 | -74.6 | -29.9 | 0 | 0 | 0 | 108.5 | | |
| 1452 | N | 27.7 | Very low | 28.4 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | | | | 168.8 | 161.5 | 129.3 | -90.6 | -23 | 0 | 0 | 0 | 115.1 | | |
| 1453 | S | 29.2 | Very low | 28.6 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | | | trans | 69.4 | 144.9 | 165 | 70.6 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1454 | M | 27.8 | Very low | 28.6 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 74% | 0.739 | 70% | 0.701 | S | S | * | * | | | cis | -152.7 | 137.2 | -4.6 | -123.7 | 155.2 | 144.3 | 0 | 0 | 105.5 | | |
| 1455 | I | 30.1 | Very low | 28.7 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 75% | 0.749 | 70% | 0.703 | S | S | * | * | | | | 51.4 | 107.5 | 56.2 | -55.2 | -179.7 | 0 | 0 | 0 | 111.8 | | |
| 1456 | D | 29.1 | Very low | 28.7 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 63% | 0.631 | 70% | 0.701 | S | S | * | * | | | | -176.4 | 167.6 | 124.9 | -103.7 | -40.5 | 0 | 0 | 0 | 113.1 | | |
| 1457 | Y | 29.2 | Very low | 29 | Very low | 203 Ų | 203 | 135.4 Ų | 135.4 | 80% | 0.796 | 71% | 0.707 | S | S | * | * | | | trans | 70.7 | 132.6 | -176 | -56.7 | -84.7 | 0 | 0 | 0 | 115.3 | | |
| 1458 | L | 29.3 | Very low | 28.9 | Very low | 170 Ų | 170 | 133.1 Ų | 133.1 | 89% | 0.89 | 70% | 0.701 | S | S | * | * | | | cis | -116.9 | 169.1 | 11.8 | -77 | 164.8 | 0 | 0 | 0 | 114.2 | | |
| 1459 | T | 27.3 | Very low | 29.2 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | | | trans | -107.4 | -172.5 | -161.5 | -38.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1460 | I | 28.2 | Very low | 29.2 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 61% | 0.61 | 70% | 0.703 | S | S | * | * | | | trans | 88.7 | 115.2 | 172.5 | -57.2 | 169.1 | 0 | 0 | 0 | 112.7 | | |
| 1461 | E | 29.6 | Very low | 29.1 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 43% | 0.43 | 71% | 0.706 | S | S | . | * | | | cis | -159.8 | 176.3 | 1.4 | -129.2 | -155.4 | 149.8 | 0 | 0 | 116 | Y392 | Y392-E1461 WeakPolarHBondContact CB-OE1 3.33Å; Y392-E1461 VanDerWaalsContact CB-OE2 3.24Å; Y392-E1461 WeakPolarHBondContact CB-OE2 3.4Å; Y392-E1461 PolarHBondContact N-OE2 3.49Å |
| 1462 | Q | 28.6 | Very low | 29.3 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 63% | 0.631 | 71% | 0.707 | S | S | * | * | | | trans | 33.4 | 131.3 | 154 | -76.1 | -177.1 | 53.2 | 0 | 0 | 120 | | |
| 1463 | S | 30.6 | Very low | 29.3 | Very low | 94 Ų | 94 | 134.5 Ų | 134.5 | 66% | 0.657 | 71% | 0.71 | S | S | * | * | | | cis | -168.8 | 146.5 | 32.6 | 49.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 1464 | I | 28.9 | Very low | 29.1 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 74% | 0.744 | 71% | 0.709 | S | S | * | * | | | trans | 68.6 | 118.3 | 135.4 | -65.1 | 169.5 | 0 | 0 | 0 | 121.3 | | |
| 1465 | N | 29.8 | Very low | 29 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | | | trans | 76.4 | 101.8 | 148.3 | -73.2 | -13.6 | 0 | 0 | 0 | 123.1 | | |
| 1466 | N | 30.6 | Very low | 28.9 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | | | | 80.5 | 124.9 | 112.2 | -64 | -16 | 0 | 0 | 0 | 121.7 | | |
| 1467 | N | 31.7 | Very low | 28.7 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | | | trans | 65.7 | 139.1 | 137.8 | -61 | -8.3 | 0 | 0 | 0 | 117.8 | | |
| 1468 | N | 29 | Very low | 28.6 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | | | cis | 172.6 | -178.3 | -15.8 | -124.7 | 15.7 | 0 | 0 | 0 | 104.2 | | |
| 1469 | D | 33.2 | Very low | 28.4 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 67% | 0.668 | 71% | 0.705 | S | S | * | * | | | trans | 62.7 | 79 | 154.5 | -57.3 | -33.5 | 0 | 0 | 0 | 118.2 | | |
| 1470 | N | 27.2 | Very low | 28.6 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | | | | 29.3 | 141.3 | 110.2 | -60.5 | -60.3 | 0 | 0 | 0 | 119.7 | | |
| 1471 | N | 27.9 | Very low | 28.6 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 81% | 0.807 | 71% | 0.706 | S | S | * | * | | | trans | 104.4 | 159.9 | 151.1 | -55.7 | -66.5 | 0 | 0 | 0 | 118.5 | | |
| 1472 | S | 30.2 | Very low | 28.6 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | | | trans | 65.2 | 113.2 | 172.3 | 50.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1473 | F | 27.9 | Very low | 28.8 | Very low | 189 Ų | 189 | 132.9 Ų | 132.9 | 83% | 0.829 | 72% | 0.721 | S | S | * | * | | | | 80.8 | 107.9 | 64 | -95.4 | -109.1 | 0 | 0 | 0 | 114.5 | | |
| 1474 | L | 25.5 | Very low | 28.8 | Very low | 135 Ų | 135 | 135 Ų | 135 | 71% | 0.707 | 72% | 0.72 | S | S | * | * | | | trans | 51.6 | 138.3 | 135.2 | -63.6 | -175.1 | 0 | 0 | 0 | 122 | | |
| 1475 | L | 24.9 | Very low | 28.8 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 78% | 0.78 | 72% | 0.716 | S | S | * | * | | | trans | 83.8 | 164.6 | 140.1 | -112.7 | 73.4 | 0 | 0 | 0 | 119.7 | | |
| 1476 | S | 27.7 | Very low | 28.6 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | | | trans | 63.4 | 98.5 | 168.4 | 40.3 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1477 | N | 24.9 | Very low | 28.3 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 78% | 0.781 | 72% | 0.719 | S | S | * | * | | | | 80.5 | 140.3 | 76.3 | -85 | -22.5 | 0 | 0 | 0 | 114.5 | | |
| 1478 | L | 27.5 | Very low | 28 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | | | trans | 68.1 | 144.6 | 158 | -62.6 | 155.6 | 0 | 0 | 0 | 115.3 | | |
| 1479 | N | 26.2 | Very low | 27.8 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 67% | 0.674 | 72% | 0.719 | S | S | * | * | | | cis | 167.1 | 179.5 | -3 | 178.8 | 17.7 | 0 | 0 | 0 | 104 | | |
| 1480 | V | 31.4 | Very low | 27.4 | Very low | 109 Ų | 109 | 134 Ų | 134 | 66% | 0.661 | 72% | 0.721 | S | S | * | * | | | trans | 68.9 | 87.8 | 167.4 | -162 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1481 | N | 26.9 | Very low | 27.3 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | | | | 72.4 | 155.2 | 52.3 | -158.6 | 6.5 | 0 | 0 | 0 | 113.5 | | |
| 1482 | Q | 29.5 | Very low | 27.3 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 62% | 0.621 | 73% | 0.725 | S | S | * | * | | | trans | 67.3 | 100 | 170.9 | -63.8 | 172.2 | -21.2 | 0 | 0 | 116.6 | | |
| 1483 | N | 32.7 | Very low | 27.3 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | | | | 168.6 | 145.4 | 100.7 | -82.3 | -45.2 | 0 | 0 | 0 | 111.5 | | |
| 1484 | H | 30.5 | Very low | 27.6 | Very low | 139 Ų | 139 | 129.8 Ų | 129.8 | 64% | 0.644 | 72% | 0.72 | S | S | * | * | | | cis | -167 | 144.2 | -31 | -132.7 | -19.7 | 0 | 0 | 0 | 109.1 | | |
| 1485 | I | 29.3 | Very low | 27.9 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 65% | 0.646 | 72% | 0.719 | S | S | * | * | | | trans | 64.2 | 123.1 | 141.8 | -80.2 | 166.1 | 0 | 0 | 0 | 120.7 | | |
| 1486 | H | 26.6 | Very low | 28.5 | Very low | 157 Ų | 157 | 125.9 Ų | 125.9 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | | | trans | 69.3 | 115.4 | 145.1 | -81 | -133 | 0 | 0 | 0 | 122.5 | | |
| 1487 | L | 24.6 | Very low | 28.8 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 67% | 0.665 | 72% | 0.719 | S | S | * | * | | | | 44.5 | 129.1 | 105.3 | -75.9 | 165 | 0 | 0 | 0 | 119.9 | | |
| 1488 | N | 23.6 | Very low | 29.3 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | | | trans | 79 | 151.6 | 153.6 | -60.6 | -21.7 | 0 | 0 | 0 | 118.7 | | |
| 1489 | S | 25 | Very low | 29.6 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | | | trans | 69.4 | 105.5 | 147.6 | 46.9 | 0 | 0 | 0 | 0 | 120 | | |
| 1490 | T | 24.8 | Very low | 29.9 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | | | | 73.5 | 103.3 | 109.5 | -51.2 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1491 | I | 25.5 | Very low | 29.9 | Very low | 161 Ų | 161 | 128.5 Ų | 128.5 | 83% | 0.826 | 71% | 0.71 | S | S | * | * | | | trans | 62.7 | 123.9 | 141.3 | -54.8 | 170.8 | 0 | 0 | 0 | 117.6 | | |
| 1492 | G | 27.2 | Very low | 30 | Very low | 76 Ų | 76 | 126.6 Ų | 126.6 | 78% | 0.784 | 71% | 0.707 | S | S | * | * | | | trans | -172.3 | 78.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1493 | I | 32.1 | Very low | 30 | Very low | 147 Ų | 147 | 126 Ų | 126 | 75% | 0.754 | 71% | 0.713 | S | S | * | * | | | trans | -76 | 152.6 | 173 | -21.4 | 177.4 | 0 | 0 | 0 | 110.8 | | |
| 1494 | P | 32.3 | Very low | 29.7 | Very low | 111 Ų | 111 | 125 Ų | 125 | 72% | 0.721 | 71% | 0.712 | S | S | * | * | | | | -130.4 | 138.3 | 112.1 | 9.1 | 12.4 | 0 | 0 | 0 | 111.9 | | |
| 1495 | S | 32.9 | Very low | 29.5 | Very low | 100 Ų | 100 | 123.9 Ų | 123.9 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | | | | 66.1 | 140.2 | 64.3 | -58 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1496 | P | 36.4 | Very low | 29.4 | Very low | 103 Ų | 103 | 123.3 Ų | 123.3 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | | | cis | -127.9 | -177.6 | 33.1 | 31.4 | -8.7 | 0 | 0 | 0 | 113.5 | | |
| 1497 | F | 34.4 | Very low | 29.7 | Very low | 177 Ų | 177 | 122.9 Ų | 122.9 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | | | cis | -137.4 | 150.9 | 21.8 | -101.2 | -97 | 0 | 0 | 0 | 113.1 | | |
| 1498 | H | 35.6 | Very low | 29.9 | Very low | 144 Ų | 144 | 123.4 Ų | 123.4 | 67% | 0.667 | 73% | 0.73 | S | S | * | * | | | trans | 15 | 144.8 | 139.6 | -66.9 | -99.8 | 0 | 0 | 0 | 119.7 | | |
| 1499 | N | 33.5 | Very low | 30.1 | Very low | 135 Ų | 135 | 120.9 Ų | 120.9 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | | | cis | -171.5 | 169.8 | 9.7 | -114.7 | 9.9 | 0 | 0 | 0 | 107.6 | | |
| 1500 | S | 33.4 | Very low | 30.1 | Very low | 72 Ų | 72 | 120.7 Ų | 120.7 | 50% | 0.503 | 72% | 0.722 | S | S | . | * | | | cis | 177.9 | 143.2 | -29.2 | 54.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1501 | N | 30.5 | Very low | 30.1 | Very low | 159 Ų | 159 | 122.6 Ų | 122.6 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | | | trans | 68.1 | 143.8 | 167.4 | -56.3 | -26.3 | 0 | 0 | 0 | 116.6 | | |
| 1502 | S | 30.4 | Very low | 30.5 | Very low | 97 Ų | 97 | 119.9 Ų | 119.9 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | | | cis | -163.7 | 168.9 | -8.4 | 48.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1503 | T | 28.3 | Very low | 30.5 | Very low | 119 Ų | 119 | 123 Ų | 123 | 73% | 0.73 | 72% | 0.718 | S | S | * | * | | | trans | 74.2 | 121.7 | 153.7 | 37.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1504 | T | 26.7 | Very low | 30.2 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | | | trans | 74.2 | 114.8 | 147.2 | 48.2 | 0 | 0 | 0 | 0 | 122 | | |
| 1505 | T | 26.3 | Very low | 30 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | | | trans | 69.3 | 115.6 | 146 | 45.9 | 0 | 0 | 0 | 0 | 121.4 | | |
| 1506 | T | 27 | Very low | 29.6 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 57.7 | 97.9 | 147.4 | 50 | 0 | 0 | 0 | 0 | 119.6 | N1508 | T1506-N1508 VanDerWaalsContact C-N 3.28Å; T1506-N1508 PolarHBondContact O-N 2.71Å |
| 1507 | T | 34.2 | Very low | 29.3 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 91% | 0.914 | 73% | 0.732 | S | S | * | * | | | trans | 51.2 | 37.6 | 144.3 | 57.7 | 0 | 0 | 0 | 0 | 117 | | |
| 1508 | N | 28.6 | Very low | 29.1 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | | | trans | -64.7 | 157.7 | 154.3 | -80 | -26.1 | 0 | 0 | 0 | 110.6 | T1506 | T1506-N1508 VanDerWaalsContact C-N 3.28Å; T1506-N1508 PolarHBondContact O-N 2.71Å |
| 1509 | S | 28 | Very low | 29 | Very low | 86 Ų | 86 | 130.8 Ų | 130.8 | 60% | 0.601 | 73% | 0.729 | S | S | * | * | | | cis | 178.3 | -160.2 | -18.5 | 56.1 | 0 | 0 | 0 | 0 | 106 | | |
| 1510 | S | 24.9 | Very low | 28.7 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | | | trans | 74.1 | 147.3 | 150.8 | -57.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 1511 | I | 25.1 | Very low | 28.7 | Very low | 155 Ų | 155 | 136 Ų | 136 | 80% | 0.795 | 74% | 0.735 | S | S | * | * | | | cis | -155.5 | 161.7 | -26.1 | -126.6 | 151 | 0 | 0 | 0 | 107 | | |
| 1512 | P | 32.3 | Very low | 28.8 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 68% | 0.675 | 73% | 0.731 | S | S | * | * | | | trans | -99.5 | -156.7 | -155 | 42.2 | -39.8 | 0 | 0 | 0 | 113.9 | | |
| 1513 | D | 28.5 | Very low | 28.9 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 77% | 0.765 | 73% | 0.73 | S | S | * | * | | | trans | -41.3 | 173.9 | 165.6 | -54.7 | -85.9 | 0 | 0 | 0 | 116.3 | | |
| 1514 | L | 25.8 | Very low | 29 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | | | trans | 85.7 | 102.3 | 170.1 | -58.1 | 165.5 | 0 | 0 | 0 | 116 | | |
| 1515 | L | 26.4 | Very low | 29.2 | Very low | 176 Ų | 176 | 137 Ų | 137 | 92% | 0.921 | 72% | 0.722 | S | S | * | * | | | trans | -129.9 | 62.3 | 142.2 | -126.5 | 177.5 | 0 | 0 | 0 | 111.5 | | |
| 1516 | N | 26.1 | Very low | 29.3 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 65% | 0.652 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -153.6 | 138.8 | 150.3 | -123.3 | -22.7 | 0 | 0 | 0 | 113.7 | | |
| 1517 | Y | 28.8 | Very low | 29.4 | Very low | 192 Ų | 192 | 139.8 Ų | 139.8 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | | | trans | 57.7 | 92.9 | 168.1 | -70.5 | -80.8 | 0 | 0 | 0 | 122.1 | | |
| 1518 | H | 31.3 | Very low | 29 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 69% | 0.685 | 71% | 0.712 | S | S | * | * | | | | 54.8 | 124.1 | 123.9 | -84.5 | -93.4 | 0 | 0 | 0 | 123.5 | | |
| 1519 | H | 32.5 | Very low | 28.8 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 69% | 0.694 | 70% | 0.704 | S | S | * | * | | | trans | 74.8 | 117.5 | 139.9 | -73.8 | -43.4 | 0 | 0 | 0 | 122.7 | | |
| 1520 | R | 28.5 | Very low | 28.7 | Very low | 211 Ų | 211 | 132.4 Ų | 132.4 | 80% | 0.796 | 69% | 0.687 | S | S | * | * | | | trans | 68.2 | 140.9 | 133.1 | -61.4 | 179.7 | 78.6 | -172.3 | 2.2 | 117.1 | | |
| 1521 | L | 33.3 | Very low | 28.8 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 56% | 0.555 | 68% | 0.677 | S | S | * | * | | | cis | -160.1 | 166.8 | -3.6 | -106.9 | 170.9 | 0 | 0 | 0 | 107.8 | | |
| 1522 | E | 32.8 | Very low | 28.8 | Very low | 161 Ų | 161 | 128.5 Ų | 128.5 | 75% | 0.752 | 67% | 0.667 | S | S | * | * | | | trans | 28.8 | 139.5 | 143.8 | -72.2 | 161.2 | -163.4 | 0 | 0 | 121.4 | | |
| 1523 | D | 31.6 | Very low | 28.5 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 67% | 0.674 | 67% | 0.671 | S | S | * | * | | | cis | -173.4 | 173.4 | -9.7 | -151.3 | -18.8 | 0 | 0 | 0 | 108.9 | | |
| 1524 | M | 30.9 | Very low | 28.4 | Very low | 152 Ų | 152 | 128.4 Ų | 128.4 | 75% | 0.749 | 67% | 0.67 | S | S | * | * | | | trans | 51.6 | 146.5 | 154.9 | -62.2 | -79.7 | 100.6 | 0 | 0 | 120.9 | | |
| 1525 | S | 30.3 | Very low | 28.6 | Very low | 77 Ų | 77 | 126.8 Ų | 126.8 | 54% | 0.538 | 67% | 0.667 | S | S | . | * | | | cis | -176 | 149.5 | -17.5 | 62 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1526 | N | 28.1 | Very low | 29.1 | Very low | 141 Ų | 141 | 124.9 Ų | 124.9 | 75% | 0.754 | 66% | 0.662 | S | S | * | * | | | trans | 66.9 | 150.6 | 139.6 | -66.6 | -20.9 | 0 | 0 | 0 | 122.9 | | |
| 1527 | L | 29.6 | Very low | 29.2 | Very low | 145 Ų | 145 | 124 Ų | 124 | 76% | 0.759 | 66% | 0.663 | S | S | * | * | | | trans | 54.4 | 109.8 | 152.8 | -86.8 | 42.1 | 0 | 0 | 0 | 117.9 | | |
| 1528 | S | 25.1 | Very low | 29.1 | Very low | 87 Ų | 87 | 120.1 Ų | 120.1 | 61% | 0.608 | 66% | 0.66 | S | S | * | * | | | cis | 72.4 | 157.6 | 41.7 | 93.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1529 | T | 25.6 | Very low | 28.9 | Very low | 89 Ų | 89 | 119 Ų | 119 | 55% | 0.546 | 66% | 0.663 | S | S | . | * | | | trans | 58.6 | 96.7 | 155.6 | 46.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1530 | T | 25.7 | Very low | 28.7 | Very low | 41 Ų | 41 | 116.5 Ų | 116.5 | 25% | 0.252 | 67% | 0.669 | S | S | . | * | | | | 62.1 | 155.2 | 114.8 | 70.9 | 0 | 0 | 0 | 0 | 117.3 | S867 S868 I869 | S867-T1530 WeakPolarHBondContact OG-CA 3.16Å; S867-T1530 PolarHBondContact OG-N 2.79Å; S868-T1530 WeakPolarHBondContact O-CB 3.37Å; S868-T1530 WeakPolarHBondContact O-CG2 3.43Å; S868-T1530 WeakPolarHBondContact OG-CG2 3.37Å; I869-T1530 HydrophobicContact CB-CG2 3.96Å; I869-T1530 HydrophobicContact CD1-CG2 3.67Å; I869-T1530 HydrophobicContact CG1-CG2 3.81Å |
| 1531 | T | 25.6 | Very low | 28.7 | Very low | 75 Ų | 75 | 111.1 Ų | 111.1 | 46% | 0.46 | 66% | 0.661 | S | S | . | * | | | cis | -164.2 | 173.3 | 36.3 | -30 | 0 | 0 | 0 | 0 | 109.1 | S868 I869 | S868-T1531 WeakPolarHBondContact O-CG2 3.27Å; I869-T1531 HydrophobicContact CB-CG2 4.09Å; I869-T1531 HydrophobicContact CG2-CG2 4.04Å |
| 1532 | T | 25.7 | Very low | 28.4 | Very low | 96 Ų | 96 | 113.3 Ų | 113.3 | 59% | 0.589 | 67% | 0.672 | S | S | * | * | | | trans | -12.4 | 148.2 | 152 | 57.4 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1533 | T | 25.8 | Very low | 28.3 | Very low | 124 Ų | 124 | 112.1 Ų | 112.1 | 76% | 0.761 | 68% | 0.675 | S | S | * | * | | | | -166.4 | 154.3 | 109.9 | 15.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1534 | T | 26.4 | Very low | 28.1 | Very low | 121 Ų | 121 | 110.2 Ų | 110.2 | 74% | 0.742 | 67% | 0.672 | S | S | * | * | | | trans | 27.8 | 131.7 | 148.8 | 62.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1535 | T | 30.9 | Very low | 27.7 | Very low | 123 Ų | 123 | 110.6 Ų | 110.6 | 76% | 0.755 | 68% | 0.677 | S | S | * | * | | | cis | -149.8 | 127.3 | 43.2 | 45.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1536 | T | 35.6 | Very low | 27.3 | Very low | 135 Ų | 135 | 112.9 Ų | 112.9 | 83% | 0.828 | 68% | 0.683 | S | S | * | * | | | trans | -66.4 | 150.8 | 138.9 | 49.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1537 | P | 28.7 | Very low | 27 | Very low | 103 Ų | 103 | 111.8 Ų | 111.8 | 67% | 0.669 | 68% | 0.677 | S | S | * | * | | | | -156.5 | -172.2 | 100.2 | 36.6 | -14.9 | 0 | 0 | 0 | 115.5 | | |
| 1538 | T | 27.4 | Very low | 26.6 | Very low | 112 Ų | 112 | 110.4 Ų | 110.4 | 69% | 0.687 | 67% | 0.669 | S | S | * | * | | | trans | 54.1 | 96.9 | 149.5 | 46.6 | 0 | 0 | 0 | 0 | 118.5 | | |
| 1539 | T | 26 | Very low | 26.6 | Very low | 124 Ų | 124 | 112.4 Ų | 112.4 | 76% | 0.761 | 67% | 0.674 | S | S | * | * | | | | 77.2 | 110.2 | 76.8 | 62.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1540 | A | 28.9 | Very low | 26.8 | Very low | 98 Ų | 98 | 114 Ų | 114 | 81% | 0.81 | 68% | 0.678 | S | S | * | * | | | trans | 65.7 | 172.7 | 144.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 1541 | P | 29.6 | Very low | 27 | Very low | 97 Ų | 97 | 116.9 Ų | 116.9 | 63% | 0.63 | 70% | 0.696 | S | S | * | * | | | cis | -115.6 | 162.9 | -14.2 | 15.5 | 7.3 | 0 | 0 | 0 | 113.4 | T1543 | P1541-T1543 PolarHBondContact O-N 3.25Š|
| 1542 | I | 25.7 | Very low | 27.1 | Very low | 152 Ų | 152 | 121 Ų | 121 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | | | | 17.3 | 75.8 | 126.3 | -38 | 166.7 | 0 | 0 | 0 | 115.6 | | |
| 1543 | T | 31.4 | Very low | 27.2 | Very low | 136 Ų | 136 | 123 Ų | 123 | 83% | 0.834 | 72% | 0.715 | S | S | * | * | | | trans | -115.2 | 63 | 143 | 56.1 | 0 | 0 | 0 | 0 | 108.7 | P1541 L1545 | P1541-T1543 PolarHBondContact O-N 3.25Å; T1543-L1545 PolarHBondContact O-N 2.71Å |
| 1544 | S | 27.1 | Very low | 27.2 | Very low | 87 Ų | 87 | 121.4 Ų | 121.4 | 61% | 0.608 | 71% | 0.709 | S | S | * | * | | | trans | -49.8 | 117.4 | 146.5 | 51 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1545 | L | 23.2 | Very low | 27.2 | Very low | 160 Ų | 160 | 121.3 Ų | 121.3 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | | | | -152.2 | 99.5 | 121.9 | -96.3 | 146.6 | 0 | 0 | 0 | 106.9 | T1543 | T1543-L1545 PolarHBondContact O-N 2.71Š|
| 1546 | N | 21.9 | Very low | 26.8 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 67% | 0.668 | 71% | 0.709 | S | S | * | * | | | | 34.4 | 149 | 110 | -101.3 | 31.1 | 0 | 0 | 0 | 118.5 | | |
| 1547 | N | 21.4 | Very low | 26.2 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 63% | 0.631 | 71% | 0.706 | S | S | * | * | | | trans | 78.6 | 141.7 | 137 | -74.6 | 6.3 | 0 | 0 | 0 | 119.4 | | |
| 1548 | L | 21.9 | Very low | 26.1 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 60% | 0.602 | 70% | 0.702 | S | S | * | * | | | trans | 68.5 | 159.4 | 139.4 | -86.7 | 55.3 | 0 | 0 | 0 | 117.1 | L1550 | L1548-L1550 HydrophobicContact CD1-CD1 3.66Å; L1548-L1550 HydrophobicContact CD1-CG 4.09Å; L1548-L1550 HydrophobicContact CD2-CD1 4.48Å; L1548-L1550 HydrophobicContact CG-CD1 3.73Å; L1548-L1550 HydrophobicContact CG-CG 4Å |
| 1549 | D | 24 | Very low | 26.1 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 70% | 0.695 | 70% | 0.704 | S | S | * | * | | | cis | -103.3 | 141.9 | -15.3 | -81.3 | -63.7 | 0 | 0 | 0 | 107.9 | | |
| 1550 | L | 29.3 | Very low | 26.2 | Very low | 122 Ų | 122 | 130.2 Ų | 130.2 | 64% | 0.639 | 70% | 0.699 | S | S | * | * | | | | 58.8 | 148.8 | 54.2 | -55 | -167.6 | 0 | 0 | 0 | 111.2 | L1548 | L1548-L1550 HydrophobicContact CD1-CD1 3.66Å; L1548-L1550 HydrophobicContact CD1-CG 4.09Å; L1548-L1550 HydrophobicContact CD2-CD1 4.48Å; L1548-L1550 HydrophobicContact CG-CD1 3.73Å; L1548-L1550 HydrophobicContact CG-CG 4Å |
| 1551 | T | 29.9 | Very low | 26.3 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 63% | 0.626 | 69% | 0.691 | S | S | * | * | | | cis | -151.9 | 160.3 | 7.1 | -9.7 | 0 | 0 | 0 | 0 | 105.1 | I1553 | T1551-I1553 HydrophobicContact CG2-CD1 4.47Å; T1551-I1553 HydrophobicContact CG2-CG1 4.42Å |
| 1552 | E | 28.6 | Very low | 26.2 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 76% | 0.757 | 70% | 0.695 | S | S | * | * | | | cis | -144.8 | 141.9 | 41 | -81 | -160.2 | 133.4 | 0 | 0 | 110.7 | | |
| 1553 | I | 27.1 | Very low | 26.3 | Very low | 137 Ų | 137 | 134.4 Ų | 134.4 | 70% | 0.703 | 69% | 0.689 | S | S | * | * | | | | 57.2 | 125.9 | 96.2 | -51.5 | 167.5 | 0 | 0 | 0 | 111.5 | T1551 | T1551-I1553 HydrophobicContact CG2-CD1 4.47Å; T1551-I1553 HydrophobicContact CG2-CG1 4.42Å |
| 1554 | S | 26.5 | Very low | 26.2 | Very low | 90 Ų | 90 | 134.3 Ų | 134.3 | 63% | 0.629 | 68% | 0.683 | S | S | * | * | | | cis | -149.7 | 153.3 | 26.3 | 48.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1555 | T | 25.7 | Very low | 26.3 | Very low | 120 Ų | 120 | 136 Ų | 136 | 74% | 0.736 | 70% | 0.695 | S | S | * | * | | | trans | 55.4 | 121.9 | 148.4 | 51.8 | 0 | 0 | 0 | 0 | 120 | | |
| 1556 | Y | 22.5 | Very low | 26.6 | Very low | 192 Ų | 192 | 134.3 Ų | 134.3 | 75% | 0.753 | 69% | 0.686 | S | S | * | * | | | | 63.3 | 131.4 | 65.4 | -94.1 | -115.9 | 0 | 0 | 0 | 115.5 | | |
| 1557 | R | 24.3 | Very low | 26.9 | Very low | 203 Ų | 203 | 132.1 Ų | 132.1 | 77% | 0.766 | 67% | 0.674 | S | S | * | * | | | trans | 73.1 | 145.9 | 154.9 | -70.7 | -165.1 | 169 | 108.1 | 0.8 | 118.3 | | |
| 1558 | D | 26.6 | Very low | 27.4 | Very low | 112 Ų | 112 | 133 Ų | 133 | 60% | 0.599 | 68% | 0.679 | S | S | * | * | | | cis | -121.1 | 152 | -16 | -85.1 | -51.6 | 0 | 0 | 0 | 106.5 | | |
| 1559 | E | 26.1 | Very low | 27.8 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 72% | 0.72 | 69% | 0.686 | S | S | * | * | | | | 51.8 | 146.1 | 64.7 | -90.3 | -71.2 | -169.8 | 0 | 0 | 113 | | |
| 1560 | N | 28.1 | Very low | 28.1 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 66% | 0.658 | 68% | 0.676 | S | S | * | * | | | trans | 71.6 | 124.4 | -170 | -46.3 | -87.7 | 0 | 0 | 0 | 115.5 | | |
| 1561 | L | 31.5 | Very low | 28.1 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 64% | 0.639 | 68% | 0.675 | S | S | * | * | | | cis | -156.7 | 143.3 | -12.3 | -149.3 | 49.6 | 0 | 0 | 0 | 112.7 | | |
| 1562 | I | 28.1 | Very low | 28.2 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 71% | 0.708 | 69% | 0.686 | S | S | * | * | | | trans | -10.8 | 141.4 | 142.1 | -52.2 | 159.9 | 0 | 0 | 0 | 114.2 | | |
| 1563 | R | 26.9 | Very low | 28.2 | Very low | 174 Ų | 174 | 134.1 Ų | 134.1 | 66% | 0.657 | 69% | 0.688 | S | S | * | * | | | trans | 93.7 | 79.2 | 171.4 | -164.5 | -166.5 | -74.4 | 110.8 | -7.8 | 115.4 | L1567 | R1563-L1567 HydrophobicContact CG-CD1 3.9Š|
| 1564 | N | 29.3 | Very low | 28.2 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 72% | 0.722 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -162.9 | -41.7 | 141.4 | -99.4 | -19.9 | 0 | 0 | 0 | 113.5 | L1566 L1567 | N1564-L1566 PolarHBondContact O-N 3.26Å; N1564-L1567 PolarHBondContact O-N 3.03Å |
| 1565 | S | 29 | Very low | 28.3 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 85% | 0.853 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 27.8 | 170.7 | -166.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1566 | L | 30.3 | Very low | 28.3 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.6 | 27.4 | -172.7 | -128.8 | 172 | 0 | 0 | 0 | 110.5 | N1564 | N1564-L1566 PolarHBondContact O-N 3.26Š|
| 1567 | L | 28.8 | Very low | 28.6 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 42% | 0.419 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -140 | -11.6 | -174.6 | -132.4 | 94.1 | 0 | 0 | 0 | 116.4 | R1563 N1564 N1571 | R1563-L1567 HydrophobicContact CG-CD1 3.9Å; N1564-L1567 PolarHBondContact O-N 3.03Å; L1567-N1571 PolarHBondContact O-ND2 3.37Å |
| 1568 | N | 30.1 | Very low | 28.7 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -100.9 | -44.4 | 176.6 | -77.1 | -8 | 0 | 0 | 0 | 112.2 | V1570 N1571 | N1568-V1570 PolarHBondContact O-N 3.14Å; N1568-N1571 PolarHBondContact O-N 3.43Å; N1568-N1571 VanDerWaalsContact O-N 3.16Å |
| 1569 | D | 30.7 | Very low | 28.8 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 8.4 | 174.7 | -54 | -55.8 | 0 | 0 | 0 | 114 | | |
| 1570 | V | 30.9 | Very low | 28.8 | Very low | 82 Ų | 82 | 135.5 Ų | 135.5 | 50% | 0.497 | 73% | 0.726 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.7 | -5.6 | 178 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | N1568 | N1568-V1570 PolarHBondContact O-N 3.14Š|
| 1571 | N | 29.2 | Very low | 28.8 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 61% | 0.61 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -104.7 | 6.3 | -178 | -86.9 | -54.1 | 0 | 0 | 0 | 115.4 | L1567 N1568 | L1567-N1571 PolarHBondContact O-ND2 3.37Å; N1568-N1571 PolarHBondContact O-N 3.43Å; N1568-N1571 VanDerWaalsContact O-N 3.16Å |
| 1572 | L | 31.2 | Very low | 28.7 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -128.8 | 14 | 166.5 | -144 | 72.9 | 0 | 0 | 0 | 114.5 | | |
| 1573 | I | 29.3 | Very low | 28.6 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -118.4 | 48.1 | 161.9 | -46.1 | -176.6 | 0 | 0 | 0 | 108.5 | | |
| 1574 | S | 27.3 | Very low | 28.6 | Very low | 86 Ų | 86 | 135.9 Ų | 135.9 | 60% | 0.601 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -151.2 | 41.1 | 176.4 | -170.3 | 0 | 0 | 0 | 0 | 112 | | |
| 1575 | N | 28.4 | Very low | 28.5 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -152.4 | 37.6 | 170.7 | -99.5 | -26.2 | 0 | 0 | 0 | 111.4 | | |
| 1576 | C | 26.2 | Very low | 28.4 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 88% | 0.878 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -137.8 | 8.6 | 174 | -84.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1577 | I | 27.5 | Very low | 28.2 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 82% | 0.815 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -143.3 | 84.7 | 171.1 | -53.2 | 178.5 | 0 | 0 | 0 | 107.1 | | |
| 1578 | D | 27.2 | Very low | 28.1 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 179.3 | 69.6 | 152.5 | -97.8 | -14.2 | 0 | 0 | 0 | 109.8 | | |
| 1579 | D | 28.2 | Very low | 28 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -155.7 | 21 | 158.6 | -136.3 | -2.6 | 0 | 0 | 0 | 114 | | |
| 1580 | Q | 27.2 | Very low | 27.9 | Very low | 182 Ų | 182 | 141.2 Ų | 141.2 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -143.1 | 152.4 | 163.9 | -70.5 | -163 | 14.7 | 0 | 0 | 109.9 | | |
| 1581 | I | 28.4 | Very low | 27.8 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | | | trans | 74 | 57.4 | 179.8 | -35.9 | 177.7 | 0 | 0 | 0 | 115.1 | N1583 | I1581-N1583 HydrophobicContact CG2-CB 4.11Š|
| 1582 | T | 27.7 | Very low | 27.8 | Very low | 154 Ų | 154 | 144 Ų | 144 | 95% | 0.945 | 78% | 0.784 | S | S | * | * | | | trans | -93.4 | 84.2 | 134.1 | 38.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 1583 | N | 26.7 | Very low | 27.7 | Very low | 131 Ų | 131 | 140 Ų | 140 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | trans | -119.9 | 130.8 | -179 | -153.4 | -5.9 | 0 | 0 | 0 | 109.4 | I1581 | I1581-N1583 HydrophobicContact CG2-CB 4.11Š|
| 1584 | T | 27.1 | Very low | 27.7 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | | | trans | 66.8 | 153.1 | -166.1 | 80.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1585 | T | 27.9 | Very low | 27.9 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | | | cis | -123.5 | 154.3 | 12.8 | 49 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1586 | N | 25.8 | Very low | 28.1 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | trans | -80.7 | 145.6 | 161.7 | -106.2 | -39.5 | 0 | 0 | 0 | 110.1 | | |
| 1587 | I | 27.3 | Very low | 28.3 | Very low | 134 Ų | 134 | 141 Ų | 141 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 61.2 | 114.1 | 141.9 | -60.7 | 168.4 | 0 | 0 | 0 | 117.9 | | |
| 1588 | D | 26 | Very low | 28.4 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | | | trans | 73 | 148.2 | 149 | -75.4 | -26.9 | 0 | 0 | 0 | 123.3 | | |
| 1589 | M | 28.6 | Very low | 28.6 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | | | trans | 76.7 | 82.1 | 151.7 | -76.9 | -179.3 | -69.9 | 0 | 0 | 121.5 | | |
| 1590 | N | 27.2 | Very low | 28.6 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | | | | 96.6 | 149.4 | 101.6 | -140.7 | 6.4 | 0 | 0 | 0 | 120.2 | | |
| 1591 | L | 29.5 | Very low | 28.6 | Very low | 127 Ų | 127 | 133 Ų | 133 | 67% | 0.665 | 73% | 0.729 | S | S | * | * | | | trans | 63.4 | 96.4 | 161.1 | -67.9 | 169.6 | 0 | 0 | 0 | 120 | | |
| 1592 | N | 28.7 | Very low | 28.7 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 68% | 0.684 | 73% | 0.731 | S | S | * | * | | | | 49.7 | 102.2 | 113 | -59 | 3.9 | 0 | 0 | 0 | 118.6 | | |
| 1593 | G | 30.5 | Very low | 29.3 | Very low | 79 Ų | 79 | 129.3 Ų | 129.3 | 81% | 0.814 | 72% | 0.723 | S | S | * | * | | | trans | -88.4 | -42 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 1594 | Y | 29.2 | Very low | 29.6 | Very low | 183 Ų | 183 | 129 Ų | 129 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | | | trans | 62.2 | 109 | -167.2 | -87.2 | -105.6 | 0 | 0 | 0 | 113.4 | | |
| 1595 | N | 30.7 | Very low | 30 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 59% | 0.588 | 73% | 0.732 | S | S | * | * | | | | 95.9 | 101.2 | 74.2 | -91.1 | 37.1 | 0 | 0 | 0 | 110.4 | | |
| 1596 | T | 32.8 | Very low | 30.6 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | | | | 86.5 | -178.9 | 81.3 | 59.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1597 | E | 30.6 | Very low | 30.9 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | | | trans | 100.5 | 122.4 | 159 | -48.6 | -111.8 | 120.1 | 0 | 0 | 115.8 | | |
| 1598 | Q | 30 | Very low | 31.2 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 61% | 0.612 | 73% | 0.734 | S | S | * | * | | | cis | -160.7 | 149.5 | -12.7 | -132.6 | -165 | 60.8 | 0 | 0 | 114.1 | | |
| 1599 | L | 29.6 | Very low | 31.5 | Very low | 136 Ų | 136 | 126.4 Ų | 126.4 | 71% | 0.712 | 73% | 0.73 | S | S | * | * | | | trans | 54.6 | -162.7 | 147.4 | -137.6 | 69.1 | 0 | 0 | 0 | 117.4 | | |
| 1600 | T | 29.6 | Very low | 32 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | | | trans | 57.2 | 111 | -172.2 | 50.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1601 | T | 27 | Very low | 32.2 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | | | cis | 55.3 | 104.6 | 14.6 | 83.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1602 | T | 29.6 | Very low | 32.8 | Very low | 134 Ų | 134 | 122.1 Ų | 122.1 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | | | | -160.7 | 166.3 | 66.1 | 36.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1603 | A | 41.1 | Very low | 33 | Very low | 95 Ų | 95 | 122.4 Ų | 122.4 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | | | trans | -66.7 | 151.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1604 | P | 32.8 | Very low | 32.8 | Very low | 124 Ų | 124 | 124 Ų | 124 | 81% | 0.805 | 74% | 0.735 | S | S | * | * | | | | -144.8 | 163.7 | 101.5 | 40.8 | -28.1 | 0 | 0 | 0 | 115.7 | | |
| 1605 | L | 35.5 | Very low | 32.8 | Very low | 164 Ų | 164 | 120.8 Ų | 120.8 | 86% | 0.859 | 74% | 0.735 | S | S | * | * | | | trans | -77.5 | 177.6 | 157.2 | -55.4 | 111.7 | 0 | 0 | 0 | 110 | | |
| 1606 | P | 41.1 | Very low | 32.6 | Very low | 111 Ų | 111 | 122.3 Ų | 122.3 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | | | | -117.6 | 178.8 | -59.8 | 38.3 | -26.7 | 0 | 0 | 0 | 110.6 | | |
| 1607 | P | 30.9 | Very low | 32.9 | Very low | 123 Ų | 123 | 123.6 Ų | 123.6 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | | | trans | -139.5 | 147 | 136.1 | 36 | -23.6 | 0 | 0 | 0 | 115.1 | | |
| 1608 | P | 33.7 | Very low | 32.9 | Very low | 120 Ų | 120 | 122.2 Ų | 122.2 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | | | trans | -90.6 | -166.6 | 176 | 42.9 | -39.6 | 0 | 0 | 0 | 111.6 | | |
| 1609 | P | 32.7 | Very low | 32.8 | Very low | 105 Ų | 105 | 120.8 Ų | 120.8 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | | | trans | -82.1 | 161.9 | -140.5 | 35 | -41.1 | 0 | 0 | 0 | 117.4 | S1611 | P1609-S1611 PolarHBondContact O-N 3.22Š|
| 1610 | P | 38.9 | Very low | 32.7 | Very low | 131 Ų | 131 | 121 Ų | 121 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | | | trans | -80.3 | 109 | 168.3 | 32.6 | -32.5 | 0 | 0 | 0 | 112.6 | | |
| 1611 | S | 30.6 | Very low | 32.7 | Very low | 104 Ų | 104 | 118.7 Ų | 118.7 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | trans | -82 | 172.3 | 161.4 | -63.1 | 0 | 0 | 0 | 0 | 110.5 | P1609 | P1609-S1611 PolarHBondContact O-N 3.22Š|
| 1612 | P | 42.2 | Very low | 32.7 | Very low | 100 Ų | 100 | 118.7 Ų | 118.7 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | | | trans | -86.2 | 163 | -153 | 34.8 | -37.9 | 0 | 0 | 0 | 115.8 | T1614 | P1612-T1614 PolarHBondContact O-N 3.31Å; P1612-T1614 VanDerWaalsContact O-N 3.17Å |
| 1613 | P | 34.7 | Very low | 32.6 | Very low | 134 Ų | 134 | 120.1 Ų | 120.1 | 87% | 0.87 | 75% | 0.753 | S | S | * | * | | | trans | -74.7 | 97 | 164 | 31.5 | -32.5 | 0 | 0 | 0 | 110.7 | | |
| 1614 | T | 24.7 | Very low | 32.1 | Very low | 113 Ų | 113 | 121.3 Ų | 121.3 | 69% | 0.693 | 75% | 0.746 | S | S | * | * | | | trans | -68.9 | 140.3 | 169.2 | 41.1 | 0 | 0 | 0 | 0 | 112.7 | P1612 | P1612-T1614 PolarHBondContact O-N 3.31Å; P1612-T1614 VanDerWaalsContact O-N 3.17Å |
| 1615 | T | 29.7 | Very low | 32 | Very low | 116 Ų | 116 | 120.2 Ų | 120.2 | 71% | 0.712 | 74% | 0.737 | S | S | * | * | | | trans | 51.1 | 109.2 | 138.1 | -48.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1616 | T | 26 | Very low | 31.7 | Very low | 142 Ų | 142 | 117 Ų | 117 | 87% | 0.871 | 73% | 0.729 | S | S | * | * | | | | -154.1 | 142.4 | 126.5 | -6.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1617 | I | 39.2 | Very low | 31.1 | Very low | 135 Ų | 135 | 118 Ų | 118 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | | | trans | -97.4 | 137.1 | -176.7 | -53.7 | 161.6 | 0 | 0 | 0 | 107.8 | T1619 | I1617-T1619 VanDerWaalsContact CG2-N 3.34Å; I1617-T1619 VanDerWaalsContact CG2-OG1 3.27Å; I1617-T1619 WeakPolarHBondContact CG2-OG1 3.23Å |
| 1618 | P | 32.2 | Very low | 31.2 | Very low | 120 Ų | 120 | 119.9 Ų | 119.9 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | | | | -119.6 | 123.6 | 116.1 | 33 | -30.6 | 0 | 0 | 0 | 109.2 | | |
| 1619 | T | 26.1 | Very low | 31.1 | Very low | 101 Ų | 101 | 118.4 Ų | 118.4 | 62% | 0.62 | 72% | 0.719 | S | S | * | * | | | | 65.3 | 131.8 | 54.6 | -42.9 | 0 | 0 | 0 | 0 | 111.2 | I1617 | I1617-T1619 VanDerWaalsContact CG2-N 3.34Å; I1617-T1619 VanDerWaalsContact CG2-OG1 3.27Å; I1617-T1619 WeakPolarHBondContact CG2-OG1 3.23Å |
| 1620 | V | 27.7 | Very low | 30.8 | Very low | 142 Ų | 142 | 120.2 Ų | 120.2 | 86% | 0.861 | 72% | 0.723 | S | S | * | * | | | trans | 58.8 | 144.1 | -178.2 | -90.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1621 | A | 29.2 | Very low | 30.2 | Very low | 72 Ų | 72 | 120.3 Ų | 120.3 | 60% | 0.595 | 72% | 0.715 | S | S | * | * | | | cis | -134.8 | 147.3 | 8.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1622 | T | 28.8 | Very low | 29.8 | Very low | 107 Ų | 107 | 123.6 Ų | 123.6 | 66% | 0.656 | 72% | 0.716 | S | S | * | * | | | trans | 45.9 | 114.7 | 137.5 | 53.8 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1623 | M | 27.1 | Very low | 29 | Very low | 163 Ų | 163 | 125.1 Ų | 125.1 | 80% | 0.803 | 72% | 0.717 | S | S | * | * | | | | 62.2 | 136 | 81.3 | -67.2 | 172.3 | -177.8 | 0 | 0 | 112.2 | | |
| 1624 | N | 29.4 | Very low | 28.5 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 65% | 0.647 | 71% | 0.71 | S | S | * | * | | | cis | -164.4 | 140.3 | 30.5 | -135.6 | 7.3 | 0 | 0 | 0 | 112.6 | | |
| 1625 | T | 30.9 | Very low | 28.5 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 61% | 0.613 | 71% | 0.711 | S | S | * | * | | | trans | 61.2 | 154.9 | 140.3 | 54.1 | 0 | 0 | 0 | 0 | 118.5 | L1627 | T1625-L1627 HydrophobicContact CG2-CD1 4.18Å; T1625-L1627 HydrophobicContact CG2-CG 4.4Å |
| 1626 | S | 29.7 | Very low | 28.3 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | | | cis | -132.2 | 140.5 | 22.1 | -62 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1627 | L | 29 | Very low | 28.3 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | | | | 48.1 | 132.3 | 82.5 | -47.7 | 168.9 | 0 | 0 | 0 | 111.5 | T1625 | T1625-L1627 HydrophobicContact CG2-CD1 4.18Å; T1625-L1627 HydrophobicContact CG2-CG 4.4Å |
| 1628 | I | 32.2 | Very low | 27.7 | Very low | 163 Ų | 163 | 131.7 Ų | 131.7 | 84% | 0.836 | 72% | 0.715 | S | S | * | * | | | cis | -130.7 | 141.7 | 35.4 | -70.9 | 170.3 | 0 | 0 | 0 | 111.5 | | |
| 1629 | P | 32.5 | Very low | 27.4 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 58% | 0.578 | 71% | 0.713 | S | S | * | * | | | trans | -101.3 | -159.8 | 179.1 | 35 | -22 | 0 | 0 | 0 | 111.5 | | |
| 1630 | N | 26.4 | Very low | 27.4 | Very low | 142 Ų | 142 | 132.1 Ų | 132.1 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | | | trans | 88 | 163 | 139.1 | -122.7 | -12.3 | 0 | 0 | 0 | 119 | | |
| 1631 | I | 24.9 | Very low | 27.2 | Very low | 133 Ų | 133 | 132 Ų | 132 | 68% | 0.682 | 71% | 0.707 | S | S | * | * | | | trans | 74.7 | 97.8 | 152.5 | -70.3 | 163.5 | 0 | 0 | 0 | 117.4 | | |
| 1632 | F | 23.5 | Very low | 27.2 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | | | | 61.1 | 138.5 | 105.6 | -111.2 | -135.9 | 0 | 0 | 0 | 120 | | |
| 1633 | M | 24.3 | Very low | 27.1 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 65% | 0.65 | 71% | 0.713 | S | S | * | * | | | trans | 75.8 | 115.5 | 148.8 | -56.3 | -72.5 | -127.7 | 0 | 0 | 120.2 | | |
| 1634 | H | 25 | Very low | 27.2 | Very low | 159 Ų | 159 | 136 Ų | 136 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | | | | 67.3 | 168.7 | 129.6 | -72.5 | 74.8 | 0 | 0 | 0 | 119.3 | | |
| 1635 | S | 24.4 | Very low | 27.3 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | | | trans | 71.7 | 110.9 | 171.8 | -46.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1636 | R | 25.1 | Very low | 27.3 | Very low | 227 Ų | 227 | 135.3 Ų | 135.3 | 86% | 0.857 | 71% | 0.708 | S | S | * | * | | | | 61.5 | 142.6 | 64.2 | -65.6 | 179.2 | 171.9 | 176.4 | -2.8 | 113.3 | | |
| 1637 | N | 26.3 | Very low | 27.3 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | | | trans | 73 | 115.8 | 158.9 | -70.6 | 13.6 | 0 | 0 | 0 | 114.9 | | |
| 1638 | M | 26.1 | Very low | 27.4 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 72% | 0.724 | 71% | 0.711 | S | S | * | * | | | | 89.8 | 122 | 54 | -77.5 | -108.7 | -167 | 0 | 0 | 110.8 | | |
| 1639 | N | 26.1 | Very low | 27.3 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | | | trans | 67.8 | 166.5 | 160.8 | -44.2 | -25.7 | 0 | 0 | 0 | 113.1 | | |
| 1640 | S | 25.8 | Very low | 27.3 | Very low | 91 Ų | 91 | 136.7 Ų | 136.7 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | | | cis | -151.8 | 154.8 | 11.1 | -32.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1641 | I | 25.1 | Very low | 27.7 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 72% | 0.718 | 70% | 0.7 | S | S | * | * | | | trans | 47.3 | 109.5 | 133.2 | -57.4 | 163.2 | 0 | 0 | 0 | 115.4 | E1643 | I1641-E1643 HydrophobicContact CG2-CG 4.25Š|
| 1642 | S | 28.9 | Very low | 27.8 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | | | | -172.9 | 156.2 | 81.3 | 26.2 | 0 | 0 | 0 | 0 | 111 | | |
| 1643 | E | 26.9 | Very low | 28.1 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 61% | 0.607 | 70% | 0.704 | S | S | * | * | | | cis | -169.4 | 158.7 | -18.7 | -121 | 178.7 | 169.7 | 0 | 0 | 108.4 | I1641 | I1641-E1643 HydrophobicContact CG2-CG 4.25Š|
| 1644 | Y | 29.4 | Very low | 28.3 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 73% | 0.733 | 70% | 0.704 | S | S | * | * | | | trans | 61.2 | 134.8 | 167.7 | -61.3 | -64.5 | 0 | 0 | 0 | 119.2 | | |
| 1645 | N | 30.2 | Very low | 28.4 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | | | cis | -157.4 | 149.7 | -14.9 | -151.2 | 7.8 | 0 | 0 | 0 | 114 | | |
| 1646 | S | 31.9 | Very low | 28.5 | Very low | 74 Ų | 74 | 139.2 Ų | 139.2 | 52% | 0.517 | 71% | 0.709 | S | S | . | * | | | trans | 50.1 | 103.2 | 142.9 | 64.4 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1647 | N | 29.4 | Very low | 28.6 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | | | | 104.3 | 113.6 | 102 | -74.1 | -2.9 | 0 | 0 | 0 | 123.1 | | |
| 1648 | I | 30.1 | Very low | 28.6 | Very low | 132 Ų | 132 | 131.2 Ų | 131.2 | 68% | 0.677 | 69% | 0.685 | S | S | * | * | | | | 97.8 | 111.2 | 115.5 | -73.7 | 173.2 | 0 | 0 | 0 | 120 | | |
| 1649 | N | 30.3 | Very low | 28.7 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 65% | 0.652 | 68% | 0.677 | S | S | * | * | | | trans | 71.7 | 141.6 | 144.1 | -68.5 | 37.9 | 0 | 0 | 0 | 120 | | |
| 1650 | D | 32.8 | Very low | 28.9 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 61% | 0.61 | 70% | 0.703 | S | S | * | * | | | cis | -152.4 | 147.2 | 1.5 | -111.1 | -33.1 | 0 | 0 | 0 | 112.6 | | |
| 1651 | N | 34.4 | Very low | 29.1 | Very low | 130 Ų | 130 | 138 Ų | 138 | 70% | 0.695 | 71% | 0.707 | S | S | * | * | | | trans | 49.5 | 111.1 | 157.1 | -56.1 | -48.8 | 0 | 0 | 0 | 118.6 | | |
| 1652 | L | 28.4 | Very low | 29.3 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 71% | 0.707 | 71% | 0.706 | S | S | * | * | | | cis | 51.3 | 140.6 | 49.5 | -81.5 | 86.5 | 0 | 0 | 0 | 114.3 | | |
| 1653 | F | 29.7 | Very low | 29.3 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 80% | 0.803 | 70% | 0.703 | S | S | * | * | | | cis | -136 | 165.4 | 32.9 | -114.3 | -86.1 | 0 | 0 | 0 | 115.8 | | |
| 1654 | I | 27.7 | Very low | 29.4 | Very low | 130 Ų | 130 | 140 Ų | 140 | 67% | 0.667 | 71% | 0.708 | S | S | * | * | | | trans | -106.2 | 147.7 | 175.2 | -61.1 | 156.9 | 0 | 0 | 0 | 108.8 | | |
| 1655 | Y | 27.1 | Very low | 29.4 | Very low | 215 Ų | 215 | 137.1 Ų | 137.1 | 84% | 0.843 | 71% | 0.707 | S | S | * | * | | | | 172.8 | 146.1 | 123 | -107 | -79.4 | 0 | 0 | 0 | 115.5 | | |
| 1656 | S | 27.6 | Very low | 29.4 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | | | trans | -74 | 149.4 | 161 | -23.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1657 | Q | 27.6 | Very low | 29.2 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 60% | 0.603 | 72% | 0.72 | S | S | * | * | | | | -174.4 | 167.7 | 128.4 | -130.3 | 168.7 | 14 | 0 | 0 | 112 | I77 | I77-Q1657 HydrophobicContact CD1-CB 3.69Å; I77-Q1657 HydrophobicContact CD1-CG 4.31Å; I77-Q1657 HydrophobicContact CG1-CB 4Å; I77-Q1657 HydrophobicContact CG1-CG 4.07Å; I77-Q1657 HydrophobicContact CG2-CG 4.45Å |
| 1658 | S | 25.9 | Very low | 29.2 | Very low | 73 Ų | 73 | 142 Ų | 142 | 51% | 0.51 | 72% | 0.718 | S | S | . | * | | | trans | -79.8 | 161.7 | -164.6 | 54.2 | 0 | 0 | 0 | 0 | 116.6 | I77 | I77-S1658 WeakPolarHBondContact CD1-O 3.35Å; I77-S1658 WeakPolarHBondContact CG1-O 3.27Å |
| 1659 | N | 27 | Very low | 29.1 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 56% | 0.556 | 72% | 0.721 | S | S | * | * | | | | 165.8 | 74.1 | 121 | -82.7 | 2.1 | 0 | 0 | 0 | 113.3 | | |
| 1660 | Q | 31.2 | Very low | 29 | Very low | 277 Ų | 277 | 144.7 Ų | 144.7 | 100% | 1.294 | 73% | 0.727 | S | S | * | * | | | trans | -167.7 | 0 | 132.7 | -110 | 177.4 | 8.8 | 0 | 0 | 110.5 | | |