| 1 | M | 36.4 | Very low | 39 | Very low | 245 Ų | 245 | 154.7 Ų | 154.7 | 100% | 1.207 | 83% | 0.828 | S | S | * | * | | | | 0 | -176 | 0 | -88.9 | 157.3 | 59 | 0 | 0 | 109.4 | | |
| 2 | R | 38.4 | Very low | 38.4 | Very low | 252 Ų | 252 | 149.5 Ų | 149.5 | 95% | 0.951 | 81% | 0.812 | S | S | * | * | | | trans | -55.1 | 152.9 | -178.3 | -51.9 | 167.3 | -170.7 | -139.9 | -0.1 | 111.5 | | |
| 3 | G | 39.1 | Very low | 37.8 | Very low | 64 Ų | 64 | 146.3 Ų | 146.3 | 66% | 0.66 | 81% | 0.808 | S | S | * | * | | | cis | -166.9 | 155.5 | -0.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 4 | R | 42.2 | Very low | 37.6 | Very low | 262 Ų | 262 | 144.4 Ų | 144.4 | 99% | 0.989 | 80% | 0.802 | S | S | * | * | | | | 65.6 | 102.4 | 101.8 | -74.9 | -166.1 | 176.8 | -147.4 | 0.4 | 117 | | |
| 5 | G | 35.2 | Very low | 37.3 | Very low | 72 Ų | 72 | 143.1 Ų | 143.1 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | trans | 142.8 | 146.9 | 142.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 6 | R | 39.9 | Very low | 37.1 | Very low | 204 Ų | 204 | 139.3 Ų | 139.3 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | | | cis | 168.2 | 134.6 | -31.6 | -119.1 | -176.3 | 171 | -120.6 | 4.1 | 105.6 | | |
| 7 | H | 37.5 | Very low | 36.9 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | trans | 70.4 | 130.6 | 168.6 | -48.1 | -52.1 | 0 | 0 | 0 | 115.7 | | |
| 8 | S | 38.4 | Very low | 37 | Very low | 92 Ų | 92 | 139.3 Ų | 139.3 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | | | cis | 80.8 | 102.5 | 29.9 | 83.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 9 | S | 33.6 | Very low | 37.1 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | | | trans | -173.7 | 141.8 | 147.6 | -95 | 0 | 0 | 0 | 0 | 111.8 | | |
| 10 | S | 34.5 | Very low | 37.2 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -124.1 | -175.2 | 160.3 | -41.2 | 0 | 0 | 0 | 0 | 106.7 | | |
| 11 | P | 53.8 | Low | 37.1 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | | | cis | -135.8 | -161.1 | -8 | 37.6 | -15.5 | 0 | 0 | 0 | 113.5 | | |
| 12 | S | 31.3 | Very low | 37.3 | Very low | 92 Ų | 92 | 137.5 Ų | 137.5 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | | | trans | 70.5 | 108.4 | 140.4 | 69.6 | 0 | 0 | 0 | 0 | 123.3 | | |
| 13 | S | 31.6 | Very low | 37.4 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | | | | 76 | 167 | 119 | 68.6 | 0 | 0 | 0 | 0 | 123.9 | | |
| 14 | V | 34 | Very low | 37.1 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | | | trans | 102.5 | 108.4 | 156 | -161.8 | 0 | 0 | 0 | 0 | 119.3 | | |
| 15 | T | 33.7 | Very low | 37 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 77% | 0.767 | 74% | 0.739 | S | S | * | * | | | trans | 54.6 | 119.1 | 151.1 | 63 | 0 | 0 | 0 | 0 | 124.8 | | |
| 16 | A | 33.9 | Very low | 37 | Very low | 83 Ų | 83 | 136 Ų | 136 | 69% | 0.686 | 75% | 0.746 | S | S | * | * | | | | 57.1 | 171.9 | 110.5 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 17 | T | 33.4 | Very low | 37.1 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | | | trans | 75.4 | 153.7 | 171.6 | 71.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 18 | Q | 39.6 | Very low | 37 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | | | cis | -171.5 | 129.3 | -25.5 | 164.2 | 161.3 | -4.2 | 0 | 0 | 111.6 | | |
| 19 | Q | 38.3 | Very low | 36.7 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 65% | 0.654 | 75% | 0.752 | S | S | * | * | | | trans | 66.5 | 156.6 | 149.9 | -93.9 | -176.4 | -36.5 | 0 | 0 | 124.9 | | |
| 20 | Q | 39.1 | Very low | 36.9 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | | | trans | 75.9 | 151.1 | 143.8 | -75.8 | 168.9 | 59.6 | 0 | 0 | 120.2 | | |
| 21 | S | 36.2 | Very low | 37 | Very low | 86 Ų | 86 | 138.7 Ų | 138.7 | 60% | 0.601 | 75% | 0.745 | S | S | * | * | | | cis | -178.3 | 139.2 | -25.7 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 22 | R | 40.3 | Very low | 35.9 | Very low | 237 Ų | 237 | 139.3 Ų | 139.3 | 89% | 0.894 | 74% | 0.743 | S | S | * | * | | | trans | 173.9 | 115.6 | 143.8 | -98.3 | 158 | 161.6 | 123.4 | -2.3 | 108.7 | | |
| 23 | M | 39.8 | Very low | 35.9 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | | | | 67.9 | 134.9 | 74 | -66.2 | -74.9 | -85 | 0 | 0 | 112.9 | | |
| 24 | A | 33.2 | Very low | 35.7 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | | | cis | -144.3 | -175.6 | 31.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 25 | L | 39.2 | Very low | 35.6 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 70% | 0.696 | 75% | 0.746 | S | S | * | * | | | trans | -114.9 | 159.4 | -162.6 | -63.2 | 156.2 | 0 | 0 | 0 | 114.6 | | |
| 26 | R | 36.6 | Very low | 35.3 | Very low | 235 Ų | 235 | 141.5 Ų | 141.5 | 89% | 0.887 | 75% | 0.751 | S | S | * | * | | | | -169.6 | 123.7 | 129.3 | -96.1 | 146.1 | -170.2 | -134.9 | 1.2 | 109.2 | | |
| 27 | K | 41.7 | Very low | 35.2 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | | | | 72.6 | 131.7 | 67.8 | -74.3 | -164 | 173.2 | -164.3 | 0 | 112.3 | | |
| 28 | N | 35.3 | Very low | 35.3 | Very low | 130 Ų | 130 | 143.6 Ų | 143.6 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | | | cis | -147.5 | 139 | 10 | -91.7 | -17.6 | 0 | 0 | 0 | 108.9 | | |
| 29 | L | 31.5 | Very low | 34.9 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | | | | 71.1 | 117.4 | 86.6 | -164.2 | 67.3 | 0 | 0 | 0 | 115.5 | | |
| 30 | T | 38.6 | Very low | 34.5 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 77% | 0.767 | 75% | 0.75 | S | S | * | * | | | trans | -90.7 | -169.2 | 174.2 | 45.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 31 | Q | 36.3 | Very low | 34.4 | Very low | 164 Ų | 164 | 143.3 Ų | 143.3 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | | | trans | 95.9 | 142.5 | 176.3 | -60.6 | -170.7 | -5.6 | 0 | 0 | 115.4 | | |
| 32 | N | 29.6 | Very low | 34.1 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 67% | 0.674 | 75% | 0.75 | S | S | * | * | | | cis | -162.8 | 164.3 | -3.1 | -119.8 | -13.6 | 0 | 0 | 0 | 114.7 | | |
| 33 | V | 31.7 | Very low | 33.8 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 75% | 0.745 | 74% | 0.739 | S | S | * | * | | | trans | 71.3 | 106.4 | 140.4 | 169 | 0 | 0 | 0 | 0 | 121.3 | | |
| 34 | S | 28 | Very low | 33.5 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | | 88.5 | 149.9 | 123.1 | -158.6 | 0 | 0 | 0 | 0 | 124 | | |
| 35 | S | 31.3 | Very low | 33.4 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | | | trans | 95.2 | 94.4 | 146.9 | -64.8 | 0 | 0 | 0 | 0 | 121.2 | | |
| 36 | D | 28.2 | Very low | 33.1 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 87% | 0.866 | 73% | 0.726 | S | S | * | * | | | | 90.1 | 161.8 | 112.4 | -148.2 | 3.6 | 0 | 0 | 0 | 120.1 | | |
| 37 | S | 32.1 | Very low | 33.1 | Very low | 87 Ų | 87 | 137.5 Ų | 137.5 | 61% | 0.608 | 72% | 0.723 | S | S | * | * | | | trans | 77.2 | 96.4 | 169.1 | -164.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 38 | Q | 34.2 | Very low | 32.7 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | | | | 45.7 | 159.4 | 119 | -58.8 | -176.7 | -15.2 | 0 | 0 | 122.9 | | |
| 39 | Q | 32.3 | Very low | 33 | Very low | 163 Ų | 163 | 133.6 Ų | 133.6 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | | | trans | 75.9 | 147.3 | 160.2 | -53.3 | -149 | -92.9 | 0 | 0 | 117.4 | | |
| 40 | D | 28.8 | Very low | 33.4 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 66% | 0.658 | 74% | 0.736 | S | S | * | * | | | cis | -164.1 | 179.4 | -30.9 | -110.1 | -41.4 | 0 | 0 | 0 | 108.6 | | |
| 41 | E | 37.1 | Very low | 33.4 | Very low | 157 Ų | 157 | 133.4 Ų | 133.4 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | | | trans | 32.4 | 119.1 | 147.3 | -77.2 | -149.8 | 74 | 0 | 0 | 121 | | |
| 42 | N | 29.6 | Very low | 33.7 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | | | | 101.6 | 170 | 70.7 | -167.9 | 15.9 | 0 | 0 | 0 | 111 | | |
| 43 | T | 35.4 | Very low | 34.3 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | | | trans | 74.9 | 96.6 | 171 | -15.9 | 0 | 0 | 0 | 0 | 114 | | |
| 44 | Q | 32.6 | Very low | 34.8 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 64% | 0.64 | 75% | 0.75 | S | S | * | * | | | | 81.9 | 136 | 50.8 | -164.8 | -174.4 | -46.9 | 0 | 0 | 112.7 | | |
| 45 | E | 30.9 | Very low | 35.5 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 64% | 0.64 | 75% | 0.752 | S | S | * | * | | | trans | 51.9 | 156.1 | 169.6 | 70.5 | -123 | 140.7 | 0 | 0 | 119.2 | | |
| 46 | D | 34 | Very low | 36.1 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | cis | -149.8 | 141.5 | 10.7 | -133.3 | -2.2 | 0 | 0 | 0 | 109.3 | | |
| 47 | K | 36.7 | Very low | 36.7 | Very low | 190 Ų | 190 | 137 Ų | 137 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | | | | 37.4 | 102.4 | 104 | -53.2 | -72.5 | -173.9 | 178.4 | 0 | 116.8 | | |
| 48 | A | 32.3 | Very low | 37.3 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | | | trans | -156.1 | 140.9 | 142.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 49 | S | 41.7 | Very low | 37.8 | Very low | 119 Ų | 119 | 134 Ų | 134 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | | | trans | -101.4 | 143.8 | 178.6 | -47.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 50 | T | 39 | Very low | 38.3 | Very low | 141 Ų | 141 | 131 Ų | 131 | 87% | 0.865 | 73% | 0.734 | S | S | * | * | | | trans | -139.8 | 128.3 | 145.1 | 47.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 51 | D | 38.6 | Very low | 38.9 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | | | trans | -64.8 | 146 | 170 | 169.6 | 35.7 | 0 | 0 | 0 | 112.4 | | |
| 52 | T | 43.2 | Very low | 39.3 | Very low | 139 Ų | 139 | 130.9 Ų | 130.9 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | | | trans | -170.8 | 129.8 | 143.6 | 7.1 | 0 | 0 | 0 | 0 | 112 | | |
| 53 | E | 43.1 | Very low | 40.3 | Very low | 182 Ų | 182 | 132.4 Ų | 132.4 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | | | trans | -78.7 | 171.4 | -179 | -61.1 | -176.3 | 97.6 | 0 | 0 | 115.2 | | |
| 54 | S | 41.2 | Very low | 40.9 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | | | trans | 86 | 104.8 | 146.3 | -165.5 | 0 | 0 | 0 | 0 | 119.7 | | |
| 55 | R | 43.7 | Very low | 41.8 | Very low | 201 Ų | 201 | 131.3 Ų | 131.3 | 76% | 0.758 | 75% | 0.747 | S | S | * | * | | | | -159.9 | 9.6 | 128.8 | -122.4 | -175.6 | 66.6 | -166 | -3.5 | 120.5 | G57 | R55-G57 PolarHBondContact O-N 3.28Š|
| 56 | D | 44.2 | Very low | 42.8 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 22.9 | -173.7 | -64.9 | -59.1 | 0 | 0 | 0 | 117 | L58 | D56-L58 VanDerWaalsContact C-N 3.34Å; D56-L58 PolarHBondContact O-N 3.18Å |
| 57 | G | 40.5 | Very low | 44 | Very low | 70 Ų | 70 | 129 Ų | 129 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -3.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116 | R55 | R55-G57 PolarHBondContact O-N 3.28Š|
| 58 | L | 43.2 | Very low | 45 | Very low | 117 Ų | 117 | 124.3 Ų | 124.3 | 61% | 0.613 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -115.1 | -19.8 | -168.3 | -63.5 | 178.2 | 0 | 0 | 0 | 115.6 | D56 S60 | D56-L58 VanDerWaalsContact C-N 3.34Å; D56-L58 PolarHBondContact O-N 3.18Å; L58-S60 VanDerWaalsContact C-N 3.34Å; L58-S60 PolarHBondContact O-N 3.3Å |
| 59 | S | 45.1 | Very low | 46 | Very low | 80 Ų | 80 | 128.8 Ų | 128.8 | 56% | 0.559 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -29.4 | -175.8 | -58.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 60 | S | 43 | Very low | 46.9 | Very low | 98 Ų | 98 | 127.6 Ų | 127.6 | 69% | 0.685 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -16.7 | -174.1 | -54.1 | 0 | 0 | 0 | 0 | 114.8 | L58 | L58-S60 VanDerWaalsContact C-N 3.34Å; L58-S60 PolarHBondContact O-N 3.3Å |
| 61 | L | 41.9 | Very low | 48.1 | Very low | 148 Ų | 148 | 128 Ų | 128 | 78% | 0.775 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -19.9 | -175.7 | -153.4 | 71.4 | 0 | 0 | 0 | 113.4 | | |
| 62 | L | 45.9 | Very low | 49.2 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 69% | 0.686 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -87.6 | -11.3 | -176 | -67.4 | 175.1 | 0 | 0 | 0 | 114.4 | S64 | L62-S64 PolarHBondContact O-N 3.31Š|
| 63 | Q | 49.2 | Very low | 50.2 | Low | 149 Ų | 149 | 130 Ų | 130 | 70% | 0.696 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -74.2 | -13.5 | 178.9 | -60.5 | -170.6 | 14.9 | 0 | 0 | 113.5 | T65 | Q63-T65 VanDerWaalsContact C-N 3.34Å; Q63-T65 PolarHBondContact O-N 3.32Å |
| 64 | S | 48.2 | Very low | 51 | Low | 106 Ų | 106 | 124.6 Ų | 124.6 | 74% | 0.741 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -84.1 | 2.7 | -173.4 | -62 | 0 | 0 | 0 | 0 | 115.3 | L62 | L62-S64 PolarHBondContact O-N 3.31Š|
| 65 | T | 52 | Low | 51.7 | Low | 114 Ų | 114 | 123.7 Ų | 123.7 | 70% | 0.699 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -125 | 22.7 | -177.1 | 47.7 | 0 | 0 | 0 | 0 | 114.5 | Q63 L67 | Q63-T65 VanDerWaalsContact C-N 3.34Å; Q63-T65 PolarHBondContact O-N 3.32Å; T65-L67 PolarHBondContact O-N 3.25Å |
| 66 | L | 52.5 | Low | 52.4 | Low | 98 Ų | 98 | 122.6 Ų | 122.6 | 51% | 0.513 | 63% | 0.633 | S | S | . | * | | | trans | -69.3 | 128.2 | 173 | -55.9 | -174.2 | 0 | 0 | 0 | 111.5 | | |
| 67 | L | 59.8 | Low | 52.9 | Low | 121 Ų | 121 | 122.8 Ų | 122.8 | 63% | 0.634 | 63% | 0.627 | S | S | * | * | | | trans | -65.2 | 154.1 | -176.3 | -71.8 | 167.7 | 0 | 0 | 0 | 112.2 | T65 R69 E70 K71 | T65-L67 PolarHBondContact O-N 3.25Å; L67-R69 PolarHBondContact O-N 3.28Å; L67-E70 WeakPolarHBondContact O-CA 3.27Å; L67-E70 WeakPolarHBondContact O-CB 3.4Å; L67-E70 PolarHBondContact O-N 3.28Å; L67-K71 PolarHBondContact O-N 3.09Å |
| 68 | P | 55.8 | Low | 53.6 | Low | 93 Ų | 93 | 124.6 Ų | 124.6 | 60% | 0.604 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -1 | 178.4 | 27.7 | -36.2 | 0 | 0 | 0 | 114.9 | R72 | P68-R72 PolarHBondContact O-NE 3.26Å; P68-R72 VanDerWaalsContact O-NE 3.14Å; P68-R72 PolarHBondContact O-NH2 3.18Å |
| 69 | R | 54.5 | Low | 54 | Low | 197 Ų | 197 | 125.3 Ų | 125.3 | 74% | 0.743 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -27.5 | 167.8 | -176.2 | 176.2 | 176 | 113.5 | -5.6 | 112.2 | L67 R73 | L67-R69 PolarHBondContact O-N 3.28Å; R69-R73 PolarHBondContact O-N 3.25Å |
| 70 | E | 59.6 | Low | 54.2 | Low | 95 Ų | 95 | 126.7 Ų | 126.7 | 44% | 0.444 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.1 | -40.5 | -177.9 | -173.3 | 158 | -149.6 | 0 | 0 | 112 | L67 R72 R73 T74 | L67-E70 WeakPolarHBondContact O-CA 3.27Å; L67-E70 WeakPolarHBondContact O-CB 3.4Å; L67-E70 PolarHBondContact O-N 3.28Å; E70-R72 PolarHBondContact O-N 3.44Å; E70-R73 CarbonylContact O-C 3.56Å; E70-R73 WeakPolarHBondContact O-CA 3.3Å; E70-R73 WeakPolarHBondContact O-CB 3.49Å; E70-R73 PolarHBondContact O-N 3.25Å; E70-T74 PolarHBondContact O-N 3.16Å; E70-T74 PolarHBondContact O-OG1 2.87Å |
| 71 | K | 65.1 | Low | 54.5 | Low | 150 Ų | 150 | 131.8 Ų | 131.8 | 65% | 0.652 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -54.5 | -40 | 166.3 | -173.8 | 173.6 | -179.8 | 177.3 | 0 | 111.7 | L67 R73 T74 E75 | L67-K71 PolarHBondContact O-N 3.09Å; K71-R73 VanDerWaalsContact C-N 3.29Å; K71-R73 PolarHBondContact O-N 3.23Å; K71-T74 PolarHBondContact O-N 3.49Å; K71-T74 PolarHBondContact O-OG1 3.23Å; K71-T74 VanDerWaalsContact O-OG1 3.08Å; K71-E75 WeakPolarHBondContact O-CB 3.43Å; K71-E75 PolarHBondContact O-N 3.46Å |
| 72 | R | 61.6 | Low | 55.2 | Low | 138 Ų | 138 | 134.7 Ų | 134.7 | 52% | 0.521 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -69.7 | -19 | 172.5 | -104.4 | -178.5 | -68 | -171.5 | -6.9 | 114.4 | P68 E70 E75 R76 | P68-R72 PolarHBondContact O-NE 3.26Å; P68-R72 VanDerWaalsContact O-NE 3.14Å; P68-R72 PolarHBondContact O-NH2 3.18Å; E70-R72 PolarHBondContact O-N 3.44Å; R72-E75 VanDerWaalsContact CG-OE2 3.22Å; R72-E75 WeakPolarHBondContact CG-OE2 3.22Å; R72-R76 WeakPolarHBondContact O-CB 3.5Å; R72-R76 VanDerWaalsContact O-CD 3.25Å; R72-R76 WeakPolarHBondContact O-CD 3.32Å; R72-R76 WeakPolarHBondContact O-CG 3.49Å; R72-R76 PolarHBondContact O-N 3.33Å |
| 73 | R | 63.8 | Low | 56.1 | Low | 178 Ų | 178 | 135.3 Ų | 135.3 | 67% | 0.672 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -83.8 | -38.9 | 172.1 | -86 | -174.8 | 161.3 | -158.3 | -7.1 | 111.8 | R69 E70 K71 K77 | R69-R73 PolarHBondContact O-N 3.25Å; E70-R73 CarbonylContact O-C 3.56Å; E70-R73 WeakPolarHBondContact O-CA 3.3Å; E70-R73 WeakPolarHBondContact O-CB 3.49Å; E70-R73 PolarHBondContact O-N 3.25Å; K71-R73 VanDerWaalsContact C-N 3.29Å; K71-R73 PolarHBondContact O-N 3.23Å; R73-K77 VanDerWaalsContact O-CB 3.28Å; R73-K77 WeakPolarHBondContact O-CB 3.43Å; R73-K77 PolarHBondContact O-N 2.91Å |
| 74 | T | 59.5 | Low | 57.1 | Low | 69 Ų | 69 | 136.9 Ų | 136.9 | 42% | 0.423 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -70.8 | -40.3 | 174.1 | 50.2 | 0 | 0 | 0 | 0 | 111.8 | E70 K71 R76 K77 N78 | E70-T74 PolarHBondContact O-N 3.16Å; E70-T74 PolarHBondContact O-OG1 2.87Å; K71-T74 PolarHBondContact O-N 3.49Å; K71-T74 PolarHBondContact O-OG1 3.23Å; K71-T74 VanDerWaalsContact O-OG1 3.08Å; T74-R76 PolarHBondContact O-N 2.81Å; T74-K77 CarbonylContact O-C 3.6Å; T74-K77 PolarHBondContact O-N 2.96Å; T74-K77 VanDerWaalsContact O-N 3.16Å; T74-N78 WeakPolarHBondContact O-CB 3.31Å; T74-N78 PolarHBondContact O-N 3.33Å; T74-N78 PolarHBondContact O-OD1 3.33Å |
| 75 | E | 56.6 | Low | 58.3 | Low | 97 Ų | 97 | 135.7 Ų | 135.7 | 45% | 0.453 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -53.9 | -50.9 | 168.8 | 179.9 | 176.1 | -125.6 | 0 | 0 | 111.8 | K71 R72 K77 N78 H79 | K71-E75 WeakPolarHBondContact O-CB 3.43Å; K71-E75 PolarHBondContact O-N 3.46Å; R72-E75 VanDerWaalsContact CG-OE2 3.22Å; R72-E75 WeakPolarHBondContact CG-OE2 3.22Å; E75-K77 PolarHBondContact O-N 3.35Å; E75-N78 PolarHBondContact O-N 3.42Å; E75-H79 PolarHBondContact O-N 3.3Å |
| 76 | R | 58.3 | Low | 60.1 | Low | 178 Ų | 178 | 133.8 Ų | 133.8 | 67% | 0.672 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.6 | -37.6 | 173.8 | -74.2 | 171.6 | -175.6 | -160.4 | -4 | 113.3 | R72 T74 N78 H79 C80 | R72-R76 WeakPolarHBondContact O-CB 3.5Å; R72-R76 VanDerWaalsContact O-CD 3.25Å; R72-R76 WeakPolarHBondContact O-CD 3.32Å; R72-R76 WeakPolarHBondContact O-CG 3.49Å; R72-R76 PolarHBondContact O-N 3.33Å; T74-R76 PolarHBondContact O-N 2.81Å; R76-N78 VanDerWaalsContact C-N 3.32Å; R76-H79 CarbonylContact O-C 3.23Å; R76-H79 PolarHBondContact O-N 3.43Å; R76-C80 VanDerWaalsContact O-CB 3.26Å; R76-C80 WeakPolarHBondContact O-CB 3.49Å; R76-C80 PolarHBondContact O-N 3.44Å |
| 77 | K | 55.1 | Low | 62 | Low | 151 Ų | 151 | 137.5 Ų | 137.5 | 66% | 0.657 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.3 | -30.5 | 177.5 | -167.8 | 171.6 | -177 | 179.4 | 0 | 112.1 | R73 T74 E75 C80 R81 | R73-K77 VanDerWaalsContact O-CB 3.28Å; R73-K77 WeakPolarHBondContact O-CB 3.43Å; R73-K77 PolarHBondContact O-N 2.91Å; T74-K77 CarbonylContact O-C 3.6Å; T74-K77 PolarHBondContact O-N 2.96Å; T74-K77 VanDerWaalsContact O-N 3.16Å; E75-K77 PolarHBondContact O-N 3.35Å; K77-C80 CarbonylContact O-C 3.56Å; K77-C80 PolarHBondContact O-N 3Å; K77-R81 PolarHBondContact O-N 3.34Å |
| 78 | N | 54.8 | Low | 63.5 | Low | 108 Ų | 108 | 138.2 Ų | 138.2 | 58% | 0.578 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -76.6 | -37.9 | 173.6 | -67.1 | -4.5 | 0 | 0 | 0 | 111.4 | T74 E75 R76 C80 R81 | T74-N78 WeakPolarHBondContact O-CB 3.31Å; T74-N78 PolarHBondContact O-N 3.33Å; T74-N78 PolarHBondContact O-OD1 3.33Å; E75-N78 PolarHBondContact O-N 3.42Å; R76-N78 VanDerWaalsContact C-N 3.32Å; N78-C80 VanDerWaalsContact C-N 3.25Å; N78-C80 PolarHBondContact O-N 3.41Å; N78-R81 CarbonylContact O-C 3.44Å; N78-R81 VanDerWaalsContact O-C 3.23Å; N78-R81 WeakPolarHBondContact O-CA 3.46Å; N78-R81 WeakPolarHBondContact O-CB 3.49Å; N78-R81 PolarHBondContact O-N 3.35Å |
| 79 | H | 51.4 | Low | 65.3 | Low | 133 Ų | 133 | 137.3 Ų | 137.3 | 62% | 0.616 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.6 | -21.1 | 168.3 | -69 | -31.3 | 0 | 0 | 0 | 113.6 | E75 R76 R81 R82 | E75-H79 PolarHBondContact O-N 3.3Å; R76-H79 CarbonylContact O-C 3.23Å; R76-H79 PolarHBondContact O-N 3.43Å; H79-R81 VanDerWaalsContact C-N 3.25Å; H79-R82 PolarHBondContact O-N 3.35Å |
| 80 | C | 48.8 | Very low | 67.3 | Low | 108 Ų | 108 | 133.5 Ų | 133.5 | 73% | 0.73 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -6.8 | 167.6 | -159.5 | 0 | 0 | 0 | 0 | 112.6 | R76 K77 N78 | R76-C80 VanDerWaalsContact O-CB 3.26Å; R76-C80 WeakPolarHBondContact O-CB 3.49Å; R76-C80 PolarHBondContact O-N 3.44Å; K77-C80 CarbonylContact O-C 3.56Å; K77-C80 PolarHBondContact O-N 3Å; N78-C80 VanDerWaalsContact C-N 3.25Å; N78-C80 PolarHBondContact O-N 3.41Å |
| 81 | R | 50.3 | Low | 69.1 | Low | 205 Ų | 205 | 134.2 Ų | 134.2 | 77% | 0.774 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | 47.4 | 157.4 | -67.3 | -174.1 | 179.5 | -93.2 | 12.5 | 109.8 | K77 N78 H79 K83 | K77-R81 PolarHBondContact O-N 3.34Å; N78-R81 CarbonylContact O-C 3.44Å; N78-R81 VanDerWaalsContact O-C 3.23Å; N78-R81 WeakPolarHBondContact O-CA 3.46Å; N78-R81 WeakPolarHBondContact O-CB 3.49Å; N78-R81 PolarHBondContact O-N 3.35Å; H79-R81 VanDerWaalsContact C-N 3.25Å; R81-K83 PolarHBondContact O-N 2.98Å |
| 82 | R | 56.1 | Low | 70.6 | Confident | 210 Ų | 210 | 131.9 Ų | 131.9 | 79% | 0.792 | 60% | 0.602 | S | S | * | * | | | trans | -55.4 | 127.9 | 142.9 | -80.4 | 175 | -173.8 | 163.1 | 0.9 | 105.1 | H79 E84 | H79-R82 PolarHBondContact O-N 3.35Å; R82-E84 PolarHBondContact O-N 3.5Å; R82-E84 VanDerWaalsContact O-N 3.08Å |
| 83 | K | 66.3 | Low | 72.2 | Confident | 143 Ų | 143 | 128.9 Ų | 128.9 | 62% | 0.622 | 60% | 0.596 | S | S | * | * | | | trans | -65.1 | 111.9 | 168.6 | -158.5 | -171.6 | -177.5 | -144.4 | 0 | 104.6 | R81 M85 E89 | R81-K83 PolarHBondContact O-N 2.98Å; K83-M85 VanDerWaalsContact C-N 3.35Å; K83-M85 PolarHBondContact O-N 2.95Å; K83-E89 IonicContact NZ-OE1 3.5Å; K83-E89 PolarHBondContact NZ-OE1 2.87Å; K83-E89 IonicContact NZ-OE2 2.58Å; K83-E89 PolarHBondContact NZ-OE2 3.14Å |
| 84 | E | 70.1 | Confident | 73.8 | Confident | 183 Ų | 183 | 123.1 Ų | 123.1 | 86% | 0.855 | 59% | 0.587 | S | S | * | * | | | trans | -58.8 | 110 | 160.4 | -73.2 | 161.1 | 172.7 | 0 | 0 | 103.7 | R82 | R82-E84 PolarHBondContact O-N 3.5Å; R82-E84 VanDerWaalsContact O-N 3.08Å |
| 85 | M | 71.7 | Confident | 75.6 | Confident | 81 Ų | 81 | 125 Ų | 125 | 40% | 0.399 | 59% | 0.594 | S | S | . | * | | | trans | -68.3 | 135.8 | -178.8 | -55.7 | -162.4 | -40 | 0 | 0 | 105.8 | K83 E89 E90 L93 | K83-M85 VanDerWaalsContact C-N 3.35Å; K83-M85 PolarHBondContact O-N 2.95Å; M85-E89 HydrophobicContact CB-CB 3.99Å; M85-E90 HydrophobicContact CB-CG 3.73Å; M85-E90 HydrophobicContact CE-CG 3.81Å; M85-L93 HydrophobicContact CE-CD2 3.87Å |
| 86 | T | 90.2 | Very high | 77.6 | Confident | 74 Ų | 74 | 126.4 Ų | 126.4 | 45% | 0.454 | 60% | 0.6 | S | S | . | * | | | trans | -64.2 | 154.8 | 174.8 | 50.8 | 0 | 0 | 0 | 0 | 108.9 | E88 E89 E90 | T86-E88 PolarHBondContact O-N 3.48Å; T86-E88 VanDerWaalsContact O-N 3.09Å; T86-E89 CarbonylContact O-C 3.59Å; T86-E89 WeakPolarHBondContact O-CA 3.47Å; T86-E89 WeakPolarHBondContact O-CB 3.33Å; T86-E89 PolarHBondContact O-N 2.92Å; T86-E89 WeakPolarHBondContact OG1-CG 3.29Å; T86-E89 PolarHBondContact OG1-N 3.49Å; T86-E90 PolarHBondContact O-N 2.77Å |
| 87 | E | 92.5 | Very high | 79.4 | Confident | 175 Ų | 175 | 122.4 Ų | 122.4 | 82% | 0.818 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -49.3 | -36.9 | 173.9 | -174.2 | 177.4 | 172.4 | 0 | 0 | 111.8 | E90 M91 | E87-E90 PolarHBondContact O-N 3.33Å; E87-M91 VanDerWaalsContact O-CB 3.29Å; E87-M91 WeakPolarHBondContact O-CB 3.48Å; E87-M91 PolarHBondContact O-N 3.25Å |
| 88 | E | 91.4 | Very high | 81.4 | Confident | 136 Ų | 136 | 118.9 Ų | 118.9 | 64% | 0.636 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.9 | -45.3 | 170.8 | -170.2 | 177.4 | -151.6 | 0 | 0 | 113.6 | T86 E90 M91 D92 | T86-E88 PolarHBondContact O-N 3.48Å; T86-E88 VanDerWaalsContact O-N 3.09Å; E88-E90 VanDerWaalsContact C-N 3.33Å; E88-E90 PolarHBondContact O-N 3.28Å; E88-M91 PolarHBondContact O-N 2.83Å; E88-D92 WeakPolarHBondContact O-CB 3.19Å; E88-D92 PolarHBondContact O-N 3.01Å |
| 89 | E | 94.8 | Very high | 83.4 | Confident | 75 Ų | 75 | 121.6 Ų | 121.6 | 35% | 0.35 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.3 | -30.1 | 174.4 | -76.8 | -174.3 | 146.1 | 0 | 0 | 112.8 | K83 M85 T86 L93 | K83-E89 IonicContact NZ-OE1 3.5Å; K83-E89 PolarHBondContact NZ-OE1 2.87Å; K83-E89 IonicContact NZ-OE2 2.58Å; K83-E89 PolarHBondContact NZ-OE2 3.14Å; M85-E89 HydrophobicContact CB-CB 3.99Å; T86-E89 CarbonylContact O-C 3.59Å; T86-E89 WeakPolarHBondContact O-CA 3.47Å; T86-E89 WeakPolarHBondContact O-CB 3.33Å; T86-E89 PolarHBondContact O-N 2.92Å; T86-E89 WeakPolarHBondContact OG1-CG 3.29Å; T86-E89 PolarHBondContact OG1-N 3.49Å; E89-L93 WeakPolarHBondContact O-CB 3.43Å; E89-L93 PolarHBondContact O-N 2.82Å |
| 90 | E | 95.4 | Very high | 85.6 | Confident | 116 Ų | 116 | 120.6 Ų | 120.6 | 54% | 0.542 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -75.5 | -39.4 | 173.8 | -56.7 | -149.7 | 141.4 | 0 | 0 | 111.7 | M85 T86 E87 E88 L93 A94 | M85-E90 HydrophobicContact CB-CG 3.73Å; M85-E90 HydrophobicContact CE-CG 3.81Å; T86-E90 PolarHBondContact O-N 2.77Å; E87-E90 PolarHBondContact O-N 3.33Å; E88-E90 VanDerWaalsContact C-N 3.33Å; E88-E90 PolarHBondContact O-N 3.28Å; E90-L93 PolarHBondContact O-N 2.69Å; E90-A94 WeakPolarHBondContact O-CB 3.45Å; E90-A94 PolarHBondContact O-N 3.05Å |
| 91 | M | 96.5 | Very high | 87.9 | Confident | 111 Ų | 111 | 121.8 Ų | 121.8 | 55% | 0.547 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.8 | -46.7 | 174.8 | -179.2 | 174.8 | 62.3 | 0 | 0 | 112.2 | E87 E88 L93 A94 L95 | E87-M91 VanDerWaalsContact O-CB 3.29Å; E87-M91 WeakPolarHBondContact O-CB 3.48Å; E87-M91 PolarHBondContact O-N 3.25Å; E88-M91 PolarHBondContact O-N 2.83Å; M91-L93 VanDerWaalsContact C-N 3.29Å; M91-L93 PolarHBondContact O-N 3.19Å; M91-A94 WeakPolarHBondContact O-CB 3.42Å; M91-A94 PolarHBondContact O-N 2.68Å; M91-A94 VanDerWaalsContact O-N 3.16Å; M91-L95 HydrophobicContact CG-CD1 4.26Å; M91-L95 WeakPolarHBondContact O-CG 3.42Å; M91-L95 PolarHBondContact O-N 2.79Å |
| 92 | D | 96.9 | Very high | 90.1 | Very high | 101 Ų | 101 | 114.6 Ų | 114.6 | 54% | 0.54 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.5 | -39.4 | 175.8 | -101.2 | 0.8 | 0 | 0 | 0 | 111.5 | E88 L95 Q96 | E88-D92 WeakPolarHBondContact O-CB 3.19Å; E88-D92 PolarHBondContact O-N 3.01Å; D92-L95 PolarHBondContact O-N 3.15Å; D92-Q96 WeakPolarHBondContact O-CB 3.45Å; D92-Q96 PolarHBondContact O-N 2.92Å |
| 93 | L | 96.6 | Very high | 92.1 | Very high | 74 Ų | 74 | 108.4 Ų | 108.4 | 39% | 0.387 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.8 | -40.7 | 175 | -177.6 | 61.9 | 0 | 0 | 0 | 111.8 | M85 E89 E90 M91 Q96 L97 | M85-L93 HydrophobicContact CE-CD2 3.87Å; E89-L93 WeakPolarHBondContact O-CB 3.43Å; E89-L93 PolarHBondContact O-N 2.82Å; E90-L93 PolarHBondContact O-N 2.69Å; M91-L93 VanDerWaalsContact C-N 3.29Å; M91-L93 PolarHBondContact O-N 3.19Å; L93-Q96 PolarHBondContact O-N 3.44Å; L93-L97 HydrophobicContact CD1-CD1 4.34Å; L93-L97 HydrophobicContact CD1-CG 4.33Å; L93-L97 HydrophobicContact CG-CD1 4.12Å; L93-L97 WeakPolarHBondContact O-CB 3.5Å; L93-L97 VanDerWaalsContact O-CG 3.28Å; L93-L97 WeakPolarHBondContact O-CG 3.46Å; L93-L97 PolarHBondContact O-N 3.15Å |
| 94 | A | 96.5 | Very high | 93.6 | Very high | 58 Ų | 58 | 105.7 Ų | 105.7 | 48% | 0.479 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E90 M91 L97 S98 | E90-A94 WeakPolarHBondContact O-CB 3.45Å; E90-A94 PolarHBondContact O-N 3.05Å; M91-A94 WeakPolarHBondContact O-CB 3.42Å; M91-A94 PolarHBondContact O-N 2.68Å; M91-A94 VanDerWaalsContact O-N 3.16Å; A94-L97 PolarHBondContact O-N 2.86Å; A94-S98 VanDerWaalsContact O-CB 3.32Å; A94-S98 WeakPolarHBondContact O-CB 3.37Å; A94-S98 PolarHBondContact O-N 3.36Å |
| 95 | L | 97.7 | Very high | 94.8 | Very high | 108 Ų | 108 | 100.1 Ų | 100.1 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.1 | -40.4 | 174 | -70 | 172.3 | 0 | 0 | 0 | 111.9 | M91 D92 K99 | M91-L95 HydrophobicContact CG-CD1 4.26Å; M91-L95 WeakPolarHBondContact O-CG 3.42Å; M91-L95 PolarHBondContact O-N 2.79Å; D92-L95 PolarHBondContact O-N 3.15Å; L95-K99 VanDerWaalsContact O-CB 3.29Å; L95-K99 WeakPolarHBondContact O-CB 3.4Å; L95-K99 PolarHBondContact O-N 3.49Å |
| 96 | Q | 97.4 | Very high | 96 | Very high | 126 Ų | 126 | 99.1 Ų | 99.1 | 59% | 0.589 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65 | -42.3 | 175.7 | -175.5 | 176.2 | -2.5 | 0 | 0 | 112.1 | D92 L93 K99 Q100 | D92-Q96 WeakPolarHBondContact O-CB 3.45Å; D92-Q96 PolarHBondContact O-N 2.92Å; L93-Q96 PolarHBondContact O-N 3.44Å; Q96-K99 PolarHBondContact O-N 2.95Å; Q96-Q100 WeakPolarHBondContact O-CB 3.3Å; Q96-Q100 PolarHBondContact O-N 3.12Å |
| 97 | L | 97.4 | Very high | 96.3 | Very high | 95 Ų | 95 | 100.8 Ų | 100.8 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.9 | -43.8 | 177.5 | -72.3 | 171.9 | 0 | 0 | 0 | 111.7 | L93 A94 K99 Q100 E101 | L93-L97 HydrophobicContact CD1-CD1 4.34Å; L93-L97 HydrophobicContact CD1-CG 4.33Å; L93-L97 HydrophobicContact CG-CD1 4.12Å; L93-L97 WeakPolarHBondContact O-CB 3.5Å; L93-L97 VanDerWaalsContact O-CG 3.28Å; L93-L97 WeakPolarHBondContact O-CG 3.46Å; L93-L97 PolarHBondContact O-N 3.15Å; A94-L97 PolarHBondContact O-N 2.86Å; L97-K99 VanDerWaalsContact C-N 3.35Å; L97-K99 PolarHBondContact O-N 3.06Å; L97-Q100 CarbonylContact O-C 3.57Å; L97-Q100 WeakPolarHBondContact O-CB 3.39Å; L97-Q100 PolarHBondContact O-N 3.32Å; L97-Q100 VanDerWaalsContact O-N 3.12Å; L97-E101 PolarHBondContact O-N 3.34Å |
| 98 | S | 97.1 | Very high | 96.6 | Very high | 76 Ų | 76 | 99.6 Ų | 99.6 | 53% | 0.531 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.3 | -46.1 | 173.2 | 174.1 | 0 | 0 | 0 | 0 | 111.8 | A94 Q100 E101 A102 | A94-S98 VanDerWaalsContact O-CB 3.32Å; A94-S98 WeakPolarHBondContact O-CB 3.37Å; A94-S98 PolarHBondContact O-N 3.36Å; S98-Q100 VanDerWaalsContact C-N 3.32Å; S98-Q100 PolarHBondContact O-N 2.9Å; S98-E101 PolarHBondContact O-N 2.86Å; S98-A102 WeakPolarHBondContact O-CB 3.49Å; S98-A102 PolarHBondContact O-N 3.24Å |
| 99 | K | 97.1 | Very high | 96.8 | Very high | 165 Ų | 165 | 97.4 Ų | 97.4 | 72% | 0.717 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.9 | -36.1 | 174.4 | -175.6 | 173.3 | -176.9 | 171.6 | 0 | 113 | L95 Q96 L97 S103 | L95-K99 VanDerWaalsContact O-CB 3.29Å; L95-K99 WeakPolarHBondContact O-CB 3.4Å; L95-K99 PolarHBondContact O-N 3.49Å; Q96-K99 PolarHBondContact O-N 2.95Å; L97-K99 VanDerWaalsContact C-N 3.35Å; L97-K99 PolarHBondContact O-N 3.06Å; K99-S103 WeakPolarHBondContact O-CB 3.48Å; K99-S103 PolarHBondContact O-N 3.11Å; K99-S103 VanDerWaalsContact O-N 3.12Å |
| 100 | Q | 96.9 | Very high | 97 | Very high | 112 Ų | 112 | 98.9 Ų | 98.9 | 52% | 0.523 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.3 | -39.3 | 174.3 | 178.8 | 172.9 | -14.9 | 0 | 0 | 111.5 | Q96 L97 S98 S103 N104 | Q96-Q100 WeakPolarHBondContact O-CB 3.3Å; Q96-Q100 PolarHBondContact O-N 3.12Å; L97-Q100 CarbonylContact O-C 3.57Å; L97-Q100 WeakPolarHBondContact O-CB 3.39Å; L97-Q100 PolarHBondContact O-N 3.32Å; L97-Q100 VanDerWaalsContact O-N 3.12Å; S98-Q100 VanDerWaalsContact C-N 3.32Å; S98-Q100 PolarHBondContact O-N 2.9Å; Q100-S103 PolarHBondContact O-N 3.48Å; Q100-N104 VanDerWaalsContact O-CG 3.32Å; Q100-N104 PolarHBondContact O-N 2.88Å; Q100-N104 PolarHBondContact O-ND2 3.16Å |
| 101 | E | 97 | Very high | 97.1 | Very high | 133 Ų | 133 | 98.1 Ų | 98.1 | 62% | 0.621 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.6 | -49.7 | 175.3 | -176.3 | 163.4 | -169.5 | 0 | 0 | 111.5 | L97 S98 S103 N104 T105 | L97-E101 PolarHBondContact O-N 3.34Å; S98-E101 PolarHBondContact O-N 2.86Å; E101-S103 VanDerWaalsContact C-N 3.26Å; E101-S103 PolarHBondContact O-N 2.84Å; E101-N104 PolarHBondContact O-N 3.46Å; E101-T105 HydrophobicContact CG-CG2 4.37Å; E101-T105 PolarHBondContact O-N 2.76Å; E101-T105 PolarHBondContact O-OG1 3.36Å |
| 102 | A | 96.7 | Very high | 97.1 | Very high | 55 Ų | 55 | 96.5 Ų | 96.5 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.9 | -37.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S98 T105 A106 | S98-A102 WeakPolarHBondContact O-CB 3.49Å; S98-A102 PolarHBondContact O-N 3.24Å; A102-T105 WeakPolarHBondContact CA-OG1 3.47Å; A102-T105 PolarHBondContact O-OG1 3.1Å; A102-T105 VanDerWaalsContact O-OG1 3.11Å; A102-A106 VanDerWaalsContact O-CB 3.29Å; A102-A106 WeakPolarHBondContact O-CB 3.38Å; A102-A106 PolarHBondContact O-N 3.02Å; A102-A106 VanDerWaalsContact O-N 3.07Å |
| 103 | S | 97.4 | Very high | 97.1 | Very high | 79 Ų | 79 | 95.4 Ų | 95.4 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.4 | -42.3 | 173.9 | -173 | 0 | 0 | 0 | 0 | 112.3 | K99 Q100 E101 L107 | K99-S103 WeakPolarHBondContact O-CB 3.48Å; K99-S103 PolarHBondContact O-N 3.11Å; K99-S103 VanDerWaalsContact O-N 3.12Å; Q100-S103 PolarHBondContact O-N 3.48Å; E101-S103 VanDerWaalsContact C-N 3.26Å; E101-S103 PolarHBondContact O-N 2.84Å; S103-L107 WeakPolarHBondContact O-CB 3.07Å; S103-L107 PolarHBondContact O-N 3.27Å |
| 104 | N | 97.4 | Very high | 97.2 | Very high | 87 Ų | 87 | 95.9 Ų | 95.9 | 47% | 0.465 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.5 | -38.1 | 178.1 | -74.6 | -48.4 | 0 | 0 | 0 | 112.7 | Q100 E101 L107 R108 | Q100-N104 VanDerWaalsContact O-CG 3.32Å; Q100-N104 PolarHBondContact O-N 2.88Å; Q100-N104 PolarHBondContact O-ND2 3.16Å; E101-N104 PolarHBondContact O-N 3.46Å; N104-L107 PolarHBondContact O-N 3.26Å; N104-R108 WeakPolarHBondContact O-CB 3.45Å; N104-R108 PolarHBondContact O-N 2.8Å |
| 105 | T | 95.8 | Very high | 97.2 | Very high | 65 Ų | 65 | 97.3 Ų | 97.3 | 40% | 0.399 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.4 | -41.1 | 176.4 | 53.6 | 0 | 0 | 0 | 0 | 111.3 | E101 A102 R108 Q109 | E101-T105 HydrophobicContact CG-CG2 4.37Å; E101-T105 PolarHBondContact O-N 2.76Å; E101-T105 PolarHBondContact O-OG1 3.36Å; A102-T105 WeakPolarHBondContact CA-OG1 3.47Å; A102-T105 PolarHBondContact O-OG1 3.1Å; A102-T105 VanDerWaalsContact O-OG1 3.11Å; T105-R108 PolarHBondContact O-N 2.98Å; T105-Q109 WeakPolarHBondContact O-CB 3.34Å; T105-Q109 PolarHBondContact O-N 3.1Å |
| 106 | A | 96.9 | Very high | 97.2 | Very high | 60 Ų | 60 | 96.1 Ų | 96.1 | 50% | 0.496 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.5 | -44 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A102 R108 Q109 Q110 | A102-A106 VanDerWaalsContact O-CB 3.29Å; A102-A106 WeakPolarHBondContact O-CB 3.38Å; A102-A106 PolarHBondContact O-N 3.02Å; A102-A106 VanDerWaalsContact O-N 3.07Å; A106-R108 VanDerWaalsContact C-N 3.33Å; A106-R108 PolarHBondContact O-N 2.98Å; A106-Q109 PolarHBondContact O-N 2.84Å; A106-Q110 PolarHBondContact O-N 2.88Å |
| 107 | L | 97.4 | Very high | 97.1 | Very high | 109 Ų | 109 | 95.9 Ų | 95.9 | 57% | 0.571 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.5 | -38.3 | 174.8 | 179.5 | 62.2 | 0 | 0 | 0 | 112.2 | S103 N104 Q111 | S103-L107 WeakPolarHBondContact O-CB 3.07Å; S103-L107 PolarHBondContact O-N 3.27Å; N104-L107 PolarHBondContact O-N 3.26Å; L107-Q111 WeakPolarHBondContact O-CB 3.28Å; L107-Q111 PolarHBondContact O-N 3.03Å |
| 108 | R | 97.3 | Very high | 97.1 | Very high | 151 Ų | 151 | 95.9 Ų | 95.9 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66 | -44 | 175.8 | -150.1 | -168.8 | 81.1 | -144.5 | -5.8 | 111 | N104 T105 A106 Q111 E112 | N104-R108 WeakPolarHBondContact O-CB 3.45Å; N104-R108 PolarHBondContact O-N 2.8Å; T105-R108 PolarHBondContact O-N 2.98Å; A106-R108 VanDerWaalsContact C-N 3.33Å; A106-R108 PolarHBondContact O-N 2.98Å; R108-Q111 PolarHBondContact O-N 2.79Å; R108-E112 IonicContact CZ-OE1 3.05Å; R108-E112 IonicContact NE-OE1 2.92Å; R108-E112 PolarHBondContact NE-OE1 3.05Å; R108-E112 IonicContact NH2-OE1 2.68Å; R108-E112 PolarHBondContact NH2-OE1 2.68Å; R108-E112 WeakPolarHBondContact O-CG 3.25Å; R108-E112 PolarHBondContact O-N 3.39Å |
| 109 | Q | 97.4 | Very high | 97.1 | Very high | 90 Ų | 90 | 95 Ų | 95 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 176.3 | -171.2 | 62.6 | 56.8 | 0 | 0 | 111.4 | T105 A106 Q111 E112 D113 | T105-Q109 WeakPolarHBondContact O-CB 3.34Å; T105-Q109 PolarHBondContact O-N 3.1Å; A106-Q109 PolarHBondContact O-N 2.84Å; Q109-Q111 VanDerWaalsContact C-N 3.26Å; Q109-Q111 PolarHBondContact O-N 2.91Å; Q109-E112 WeakPolarHBondContact O-CB 3.35Å; Q109-E112 PolarHBondContact O-N 2.82Å; Q109-D113 PolarHBondContact NE2-OD1 3.2Å; Q109-D113 PolarHBondContact O-N 3.06Å |
| 110 | Q | 97.4 | Very high | 97 | Very high | 106 Ų | 106 | 91.7 Ų | 91.7 | 50% | 0.495 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -55.9 | -43.1 | 174.4 | -176.9 | -172.9 | -21.7 | 0 | 0 | 111.2 | A106 D113 E114 | A106-Q110 PolarHBondContact O-N 2.88Å; Q110-D113 PolarHBondContact O-N 2.86Å; Q110-E114 PolarHBondContact NE2-OE1 2.92Å; Q110-E114 WeakPolarHBondContact O-CB 3.35Å; Q110-E114 WeakPolarHBondContact O-CG 3.22Å; Q110-E114 PolarHBondContact O-N 3.04Å |
| 111 | Q | 97.6 | Very high | 96.8 | Very high | 99 Ų | 99 | 92.4 Ų | 92.4 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.8 | -35 | 178.1 | -176.8 | 62.2 | 105.8 | 0 | 0 | 112.5 | L107 R108 Q109 N115 | L107-Q111 WeakPolarHBondContact O-CB 3.28Å; L107-Q111 PolarHBondContact O-N 3.03Å; R108-Q111 PolarHBondContact O-N 2.79Å; Q109-Q111 VanDerWaalsContact C-N 3.26Å; Q109-Q111 PolarHBondContact O-N 2.91Å; Q111-N115 PolarHBondContact NE2-ND2 3.1Å; Q111-N115 WeakPolarHBondContact O-CB 3.22Å; Q111-N115 PolarHBondContact O-N 3.21Å; Q111-N115 VanDerWaalsContact O-N 3.1Å; Q111-N115 PolarHBondContact O-ND2 3.15Å |
| 112 | E | 97.3 | Very high | 96.5 | Very high | 78 Ų | 78 | 90.8 Ų | 90.8 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.3 | -47 | 172.4 | -73.7 | 172.4 | -135.5 | 0 | 0 | 110.9 | R108 Q109 E114 N115 V116 | R108-E112 IonicContact CZ-OE1 3.05Å; R108-E112 IonicContact NE-OE1 2.92Å; R108-E112 PolarHBondContact NE-OE1 3.05Å; R108-E112 IonicContact NH2-OE1 2.68Å; R108-E112 PolarHBondContact NH2-OE1 2.68Å; R108-E112 WeakPolarHBondContact O-CG 3.25Å; R108-E112 PolarHBondContact O-N 3.39Å; Q109-E112 WeakPolarHBondContact O-CB 3.35Å; Q109-E112 PolarHBondContact O-N 2.82Å; E112-E114 PolarHBondContact O-N 2.82Å; E112-N115 CarbonylContact O-C 3.57Å; E112-N115 WeakPolarHBondContact O-CB 3.19Å; E112-N115 PolarHBondContact O-N 3.39Å; E112-N115 VanDerWaalsContact O-N 3.11Å; E112-V116 WeakPolarHBondContact O-CG2 3.49Å; E112-V116 PolarHBondContact O-N 3.35Å |
| 113 | D | 97.3 | Very high | 96.2 | Very high | 77 Ų | 77 | 91.1 Ų | 91.1 | 41% | 0.412 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 178.1 | -62.6 | -16.4 | 0 | 0 | 0 | 112.1 | Q109 Q110 N115 V116 M117 | Q109-D113 PolarHBondContact NE2-OD1 3.2Å; Q109-D113 PolarHBondContact O-N 3.06Å; Q110-D113 PolarHBondContact O-N 2.86Å; D113-N115 VanDerWaalsContact C-N 3.32Å; D113-N115 PolarHBondContact O-N 3.28Å; D113-V116 PolarHBondContact O-N 2.86Å; D113-M117 WeakPolarHBondContact O-CB 3.4Å; D113-M117 WeakPolarHBondContact O-CG 3.4Å; D113-M117 PolarHBondContact O-N 3.21Å |
| 114 | E | 97.5 | Very high | 95.6 | Very high | 85 Ų | 85 | 93.3 Ų | 93.3 | 40% | 0.397 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 172.6 | -77.9 | -179.9 | -159.9 | 0 | 0 | 112.1 | Q110 E112 M117 K118 | Q110-E114 PolarHBondContact NE2-OE1 2.92Å; Q110-E114 WeakPolarHBondContact O-CB 3.35Å; Q110-E114 WeakPolarHBondContact O-CG 3.22Å; Q110-E114 PolarHBondContact O-N 3.04Å; E112-E114 PolarHBondContact O-N 2.82Å; E114-M117 HydrophobicContact CG-CE 4.22Å; E114-K118 WeakPolarHBondContact O-CB 3.19Å; E114-K118 PolarHBondContact O-N 3.24Å |
| 115 | N | 97.1 | Very high | 95 | Very high | 88 Ų | 88 | 92.6 Ų | 92.6 | 47% | 0.471 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69 | -36.5 | 174.8 | -80.1 | -57 | 0 | 0 | 0 | 112 | Q111 E112 D113 K118 A119 | Q111-N115 PolarHBondContact NE2-ND2 3.1Å; Q111-N115 WeakPolarHBondContact O-CB 3.22Å; Q111-N115 PolarHBondContact O-N 3.21Å; Q111-N115 VanDerWaalsContact O-N 3.1Å; Q111-N115 PolarHBondContact O-ND2 3.15Å; E112-N115 CarbonylContact O-C 3.57Å; E112-N115 WeakPolarHBondContact O-CB 3.19Å; E112-N115 PolarHBondContact O-N 3.39Å; E112-N115 VanDerWaalsContact O-N 3.11Å; D113-N115 VanDerWaalsContact C-N 3.32Å; D113-N115 PolarHBondContact O-N 3.28Å; N115-K118 PolarHBondContact O-N 2.81Å; N115-A119 VanDerWaalsContact O-CB 3.29Å; N115-A119 WeakPolarHBondContact O-CB 3.2Å; N115-A119 PolarHBondContact O-N 3.46Å |
| 116 | V | 97.5 | Very high | 93.9 | Very high | 83 Ų | 83 | 95.7 Ų | 95.7 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66 | -49.3 | 174.2 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | E112 D113 K118 A119 I120 | E112-V116 WeakPolarHBondContact O-CG2 3.49Å; E112-V116 PolarHBondContact O-N 3.35Å; D113-V116 PolarHBondContact O-N 2.86Å; V116-K118 VanDerWaalsContact C-N 3.29Å; V116-K118 PolarHBondContact O-N 3.35Å; V116-A119 PolarHBondContact O-N 3.44Å; V116-A119 VanDerWaalsContact O-N 3.15Å; V116-I120 HydrophobicContact CG1-CD1 3.85Å; V116-I120 WeakPolarHBondContact O-CG1 3.25Å; V116-I120 PolarHBondContact O-N 2.86Å |
| 117 | M | 95.9 | Very high | 92.3 | Very high | 121 Ų | 121 | 100.3 Ų | 100.3 | 60% | 0.596 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -57 | -43.4 | 175 | -74.2 | -171.7 | -75 | 0 | 0 | 111.6 | D113 E114 I120 Q121 | D113-M117 WeakPolarHBondContact O-CB 3.4Å; D113-M117 WeakPolarHBondContact O-CG 3.4Å; D113-M117 PolarHBondContact O-N 3.21Å; E114-M117 HydrophobicContact CG-CE 4.22Å; M117-I120 PolarHBondContact O-N 3.23Å; M117-Q121 WeakPolarHBondContact O-CB 3.41Å; M117-Q121 PolarHBondContact O-N 3.48Å |
| 118 | K | 96.9 | Very high | 90.5 | Very high | 95 Ų | 95 | 100.3 Ų | 100.3 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 175.9 | -176.6 | -179.7 | 173 | -67.3 | 0 | 112.6 | E114 N115 V116 Q121 E122 | E114-K118 WeakPolarHBondContact O-CB 3.19Å; E114-K118 PolarHBondContact O-N 3.24Å; N115-K118 PolarHBondContact O-N 2.81Å; V116-K118 VanDerWaalsContact C-N 3.29Å; V116-K118 PolarHBondContact O-N 3.35Å; K118-Q121 PolarHBondContact O-N 2.9Å; K118-E122 WeakPolarHBondContact CE-OE1 3.47Å; K118-E122 IonicContact NZ-OE1 3.16Å; K118-E122 PolarHBondContact NZ-OE1 3.33Å; K118-E122 IonicContact NZ-OE2 2.68Å; K118-E122 PolarHBondContact NZ-OE2 3.03Å; K118-E122 WeakPolarHBondContact O-CB 3.41Å; K118-E122 WeakPolarHBondContact O-CG 3.28Å; K118-E122 PolarHBondContact O-N 3.43Å |
| 119 | A | 96.6 | Very high | 88.2 | Confident | 56 Ų | 56 | 99.6 Ų | 99.6 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.5 | -38.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N115 V116 E122 S123 | N115-A119 VanDerWaalsContact O-CB 3.29Å; N115-A119 WeakPolarHBondContact O-CB 3.2Å; N115-A119 PolarHBondContact O-N 3.46Å; V116-A119 PolarHBondContact O-N 3.44Å; V116-A119 VanDerWaalsContact O-N 3.15Å; A119-E122 PolarHBondContact O-N 3.48Å; A119-S123 VanDerWaalsContact O-CB 3.31Å; A119-S123 WeakPolarHBondContact O-CB 3.33Å; A119-S123 PolarHBondContact O-N 2.85Å |
| 120 | I | 95.2 | Very high | 86 | Confident | 97 Ų | 97 | 100.6 Ų | 100.6 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 172.2 | -67.1 | 164.8 | 0 | 0 | 0 | 110 | V116 M117 E122 S123 M124 | V116-I120 HydrophobicContact CG1-CD1 3.85Å; V116-I120 WeakPolarHBondContact O-CG1 3.25Å; V116-I120 PolarHBondContact O-N 2.86Å; M117-I120 PolarHBondContact O-N 3.23Å; I120-E122 PolarHBondContact O-N 3.36Å; I120-S123 WeakPolarHBondContact O-CB 3.44Å; I120-S123 PolarHBondContact O-N 3.19Å; I120-M124 HydrophobicContact CG2-SD 4.37Å; I120-M124 WeakPolarHBondContact O-CG 3.29Å; I120-M124 PolarHBondContact O-N 3.23Å |
| 121 | Q | 92.4 | Very high | 83.1 | Confident | 127 Ų | 127 | 98.3 Ų | 98.3 | 59% | 0.593 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.8 | -46.5 | 176.9 | -171.1 | -176.8 | 19.8 | 0 | 0 | 112 | M117 K118 S123 M124 V125 | M117-Q121 WeakPolarHBondContact O-CB 3.41Å; M117-Q121 PolarHBondContact O-N 3.48Å; K118-Q121 PolarHBondContact O-N 2.9Å; Q121-S123 PolarHBondContact O-N 2.97Å; Q121-M124 PolarHBondContact O-N 2.93Å; Q121-V125 WeakPolarHBondContact O-CB 3.38Å; Q121-V125 VanDerWaalsContact O-CG2 3.3Å; Q121-V125 WeakPolarHBondContact O-CG2 3.5Å; Q121-V125 PolarHBondContact O-N 3.47Å |
| 122 | E | 91.1 | Very high | 80.7 | Confident | 98 Ų | 98 | 100 Ų | 100 | 46% | 0.458 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.3 | -37.7 | 178 | -75.2 | 177.3 | 158.1 | 0 | 0 | 111.8 | K118 A119 I120 V125 I126 | K118-E122 WeakPolarHBondContact CE-OE1 3.47Å; K118-E122 IonicContact NZ-OE1 3.16Å; K118-E122 PolarHBondContact NZ-OE1 3.33Å; K118-E122 IonicContact NZ-OE2 2.68Å; K118-E122 PolarHBondContact NZ-OE2 3.03Å; K118-E122 WeakPolarHBondContact O-CB 3.41Å; K118-E122 WeakPolarHBondContact O-CG 3.28Å; K118-E122 PolarHBondContact O-N 3.43Å; A119-E122 PolarHBondContact O-N 3.48Å; I120-E122 PolarHBondContact O-N 3.36Å; E122-V125 PolarHBondContact O-N 3.07Å; E122-I126 WeakPolarHBondContact O-CB 3.45Å; E122-I126 WeakPolarHBondContact O-CD1 3.44Å; E122-I126 WeakPolarHBondContact O-CG1 3.25Å; E122-I126 PolarHBondContact O-N 3Å |
| 123 | S | 91.8 | Very high | 78.1 | Confident | 62 Ų | 62 | 106 Ų | 106 | 43% | 0.434 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.5 | -45.6 | 172.9 | -177 | 0 | 0 | 0 | 0 | 112.7 | A119 I120 Q121 I126 Q127 | A119-S123 VanDerWaalsContact O-CB 3.31Å; A119-S123 WeakPolarHBondContact O-CB 3.33Å; A119-S123 PolarHBondContact O-N 2.85Å; I120-S123 WeakPolarHBondContact O-CB 3.44Å; I120-S123 PolarHBondContact O-N 3.19Å; Q121-S123 PolarHBondContact O-N 2.97Å; S123-I126 PolarHBondContact O-N 3.34Å; S123-Q127 PolarHBondContact O-N 3.31Å |
| 124 | M | 83.8 | Confident | 75.2 | Confident | 125 Ų | 125 | 107.4 Ų | 107.4 | 62% | 0.616 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.9 | -39.3 | 175.7 | -69.2 | -179 | 70.8 | 0 | 0 | 112.5 | I120 Q121 Q127 T128 | I120-M124 HydrophobicContact CG2-SD 4.37Å; I120-M124 WeakPolarHBondContact O-CG 3.29Å; I120-M124 PolarHBondContact O-N 3.23Å; Q121-M124 PolarHBondContact O-N 2.93Å; M124-Q127 PolarHBondContact O-N 3.47Å; M124-T128 PolarHBondContact O-N 3.23Å; M124-T128 PolarHBondContact O-OG1 2.89Å |
| 125 | V | 84.7 | Confident | 72.7 | Confident | 72 Ų | 72 | 109.3 Ų | 109.3 | 44% | 0.436 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.2 | -36.8 | 178 | 169.8 | 0 | 0 | 0 | 0 | 111.7 | Q121 E122 Q127 T128 Q129 | Q121-V125 WeakPolarHBondContact O-CB 3.38Å; Q121-V125 VanDerWaalsContact O-CG2 3.3Å; Q121-V125 WeakPolarHBondContact O-CG2 3.5Å; Q121-V125 PolarHBondContact O-N 3.47Å; E122-V125 PolarHBondContact O-N 3.07Å; V125-Q127 VanDerWaalsContact C-N 3.31Å; V125-Q127 PolarHBondContact O-N 3.16Å; V125-T128 WeakPolarHBondContact CA-OG1 3.44Å; V125-T128 PolarHBondContact O-N 2.97Å; V125-T128 PolarHBondContact O-OG1 3.17Å; V125-Q129 PolarHBondContact O-N 3.36Å |
| 126 | I | 73.6 | Confident | 69.9 | Low | 131 Ų | 131 | 112.1 Ų | 112.1 | 67% | 0.672 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.9 | -39 | 174.6 | -71.4 | 162.4 | 0 | 0 | 0 | 111 | E122 S123 T128 | E122-I126 WeakPolarHBondContact O-CB 3.45Å; E122-I126 WeakPolarHBondContact O-CD1 3.44Å; E122-I126 WeakPolarHBondContact O-CG1 3.25Å; E122-I126 PolarHBondContact O-N 3Å; S123-I126 PolarHBondContact O-N 3.34Å; I126-T128 VanDerWaalsContact C-N 3.34Å; I126-T128 PolarHBondContact O-N 3.5Å |
| 127 | Q | 62.8 | Low | 67.3 | Low | 157 Ų | 157 | 117.9 Ų | 117.9 | 73% | 0.734 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -74.2 | -18.7 | 177.2 | -70 | -173.9 | 67.4 | 0 | 0 | 114.4 | S123 M124 V125 | S123-Q127 PolarHBondContact O-N 3.31Å; M124-Q127 PolarHBondContact O-N 3.47Å; V125-Q127 VanDerWaalsContact C-N 3.31Å; V125-Q127 PolarHBondContact O-N 3.16Å |
| 128 | T | 58.8 | Low | 64.5 | Low | 108 Ų | 108 | 120.2 Ų | 120.2 | 66% | 0.663 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 3 | -179.4 | 38 | 0 | 0 | 0 | 0 | 114.7 | M124 V125 I126 P130 | M124-T128 PolarHBondContact O-N 3.23Å; M124-T128 PolarHBondContact O-OG1 2.89Å; V125-T128 WeakPolarHBondContact CA-OG1 3.44Å; V125-T128 PolarHBondContact O-N 2.97Å; V125-T128 PolarHBondContact O-OG1 3.17Å; I126-T128 VanDerWaalsContact C-N 3.34Å; I126-T128 PolarHBondContact O-N 3.5Å; T128-P130 VanDerWaalsContact O-CD 3.27Å; T128-P130 WeakPolarHBondContact O-CD 3.5Å |
| 129 | Q | 49 | Very low | 61.6 | Low | 137 Ų | 137 | 122.1 Ų | 122.1 | 64% | 0.64 | 67% | 0.667 | S | S | * | * | | | trans | -82.4 | 112.3 | 172.3 | -73.3 | -67.9 | -15.1 | 0 | 0 | 111.7 | V125 G131 | V125-Q129 PolarHBondContact O-N 3.36Å; Q129-G131 PolarHBondContact O-N 3.1Å |
| 130 | P | 52.6 | Low | 58.8 | Low | 110 Ų | 110 | 126 Ų | 126 | 71% | 0.714 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 124.3 | 172.1 | 28.9 | -33.4 | 0 | 0 | 0 | 109.8 | T128 | T128-P130 VanDerWaalsContact O-CD 3.27Å; T128-P130 WeakPolarHBondContact O-CD 3.5Å |
| 131 | G | 36.7 | Very low | 55.9 | Low | 59 Ų | 59 | 128.6 Ų | 128.6 | 61% | 0.608 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 147.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q129 K133 | Q129-G131 PolarHBondContact O-N 3.1Å; G131-K133 PolarHBondContact O-N 3.11Å |
| 132 | P | 47.1 | Very low | 53 | Low | 135 Ų | 135 | 126.3 Ų | 126.3 | 88% | 0.877 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -62 | 120.1 | -177.1 | 25.4 | -34 | 0 | 0 | 0 | 111 | S134 | P132-S134 PolarHBondContact O-N 3.19Š|
| 133 | K | 42.3 | Very low | 50.4 | Low | 204 Ų | 204 | 128.4 Ų | 128.4 | 89% | 0.887 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 118.7 | -172.8 | -59.2 | 179.6 | -178.5 | -177.9 | 0 | 111.7 | G131 | G131-K133 PolarHBondContact O-N 3.11Š|
| 134 | S | 37 | Very low | 48 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 144.3 | 164.5 | 49.4 | 0 | 0 | 0 | 0 | 110.7 | P132 | P132-S134 PolarHBondContact O-N 3.19Š|
| 135 | P | 44 | Very low | 45.6 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 128.1 | -178.7 | 30.6 | -33.8 | 0 | 0 | 0 | 112.3 | | |
| 136 | D | 37.3 | Very low | 43.2 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 141.3 | 175.4 | -75.1 | -63.3 | 0 | 0 | 0 | 113.8 | | |
| 137 | K | 43.8 | Very low | 41.5 | Very low | 204 Ų | 204 | 137 Ų | 137 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | | | trans | -141.2 | 99.3 | 152.4 | -73 | -162.6 | 175.7 | -176.6 | 0 | 111.4 | | |
| 138 | H | 37.4 | Very low | 40.2 | Very low | 170 Ų | 170 | 133.1 Ų | 133.1 | 79% | 0.787 | 78% | 0.783 | S | S | * | * | | | trans | -52.5 | 134.2 | 161.5 | -100.3 | -115.9 | 0 | 0 | 0 | 111.6 | | |
| 139 | L | 36.2 | Very low | 39 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | | | | 170 | 141.4 | 97.2 | -137.9 | 74.5 | 0 | 0 | 0 | 113 | | |
| 140 | L | 37.7 | Very low | 38.4 | Very low | 136 Ų | 136 | 137 Ų | 137 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | | | trans | 68.7 | 128.3 | 160 | -57.8 | -176.1 | 0 | 0 | 0 | 122.6 | | |
| 141 | D | 32.9 | Very low | 37.6 | Very low | 152 Ų | 152 | 143 Ų | 143 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | trans | 56.1 | 131.3 | 138.7 | -53.8 | -17.7 | 0 | 0 | 0 | 122.9 | | |
| 142 | G | 32.6 | Very low | 37.7 | Very low | 79 Ų | 79 | 149.7 Ų | 149.7 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | | | trans | 127.5 | 81 | 151.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 143 | V | 36.4 | Very low | 37 | Very low | 142 Ų | 142 | 150.5 Ų | 150.5 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | | | trans | -62.7 | 139.6 | 154.8 | 165.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 144 | P | 40.9 | Very low | 36.5 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | | | cis | -137.7 | 178 | 47.5 | 28.6 | -4.5 | 0 | 0 | 0 | 118.7 | | |
| 145 | Q | 34.1 | Very low | 36.1 | Very low | 191 Ų | 191 | 151.6 Ų | 151.6 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | | | trans | -55.4 | 153.4 | 175.6 | -63.2 | 156 | -33.1 | 0 | 0 | 114.1 | | |
| 146 | S | 34 | Very low | 35.6 | Very low | 118 Ų | 118 | 151.3 Ų | 151.3 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | | | trans | -135.6 | 105.8 | 167.3 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 147 | T | 37.3 | Very low | 35.2 | Very low | 145 Ų | 145 | 152.5 Ų | 152.5 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | | | trans | -143.4 | 139.6 | 155.1 | 52.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 148 | G | 35.5 | Very low | 34.7 | Very low | 76 Ų | 76 | 145.4 Ų | 145.4 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | | | cis | 174.9 | 107.6 | -12.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 149 | S | 33.1 | Very low | 34.5 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -130.1 | 110 | -178.9 | -170.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 150 | R | 37.9 | Very low | 34.3 | Very low | 222 Ų | 222 | 148 Ų | 148 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | | | trans | 35.8 | 118.2 | 154.5 | -58.5 | 179.9 | 175.7 | -143.4 | -1.1 | 117.8 | | |
| 151 | R | 36.3 | Very low | 34.1 | Very low | 236 Ų | 236 | 149.3 Ų | 149.3 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | | | | -168.1 | 160 | 106.1 | -108.8 | 154.4 | -72.9 | -170 | -0.8 | 116.2 | | |
| 152 | K | 38 | Very low | 34.4 | Very low | 200 Ų | 200 | 147.7 Ų | 147.7 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | | | trans | -48.2 | 147.4 | 179.1 | -55.2 | 175.7 | 175.5 | -174.8 | 0 | 114.1 | | |
| 153 | L | 32.7 | Very low | 34.4 | Very low | 153 Ų | 153 | 152.6 Ų | 152.6 | 80% | 0.801 | 81% | 0.811 | S | S | * | * | | | trans | -89.9 | 150.9 | 159.7 | -73.3 | 168.5 | 0 | 0 | 0 | 111 | | |
| 154 | S | 30.5 | Very low | 34.1 | Very low | 117 Ų | 117 | 154.6 Ų | 154.6 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -148.9 | 127.1 | 169 | 54.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 155 | Y | 29.3 | Very low | 33.6 | Very low | 214 Ų | 214 | 153.8 Ų | 153.8 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | | | trans | -103.8 | 133 | 177.8 | -86.6 | -89.1 | 0 | 0 | 0 | 111.2 | | |
| 156 | S | 32.8 | Very low | 33.5 | Very low | 120 Ų | 120 | 151.4 Ų | 151.4 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | | | trans | -90.9 | 162.4 | 169.4 | 37.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 157 | N | 29.7 | Very low | 33.4 | Very low | 172 Ų | 172 | 151.4 Ų | 151.4 | 92% | 0.92 | 80% | 0.797 | S | S | * | * | | | trans | -132.9 | 147.6 | -176.2 | 179.7 | 27.2 | 0 | 0 | 0 | 110.3 | | |
| 158 | G | 32.9 | Very low | 32.9 | Very low | 55 Ų | 55 | 148.4 Ų | 148.4 | 57% | 0.567 | 80% | 0.796 | S | S | * | * | | | trans | 143.9 | 110.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 159 | E | 33.5 | Very low | 32.8 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 72% | 0.724 | 80% | 0.796 | S | S | * | * | | | trans | 58.6 | 159.5 | 139.6 | -44.7 | -152.9 | 92.5 | 0 | 0 | 120.1 | | |
| 160 | R | 32.1 | Very low | 32.8 | Very low | 204 Ų | 204 | 151.7 Ų | 151.7 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | | | cis | -150.6 | 179.7 | -6.7 | -139.7 | 177.8 | -105.5 | 175.4 | 3.2 | 110.7 | | |
| 161 | M | 34.5 | Very low | 32.5 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | | | trans | -71.2 | 167.5 | 177.1 | -64.8 | -79.4 | -71.6 | 0 | 0 | 114.7 | | |
| 162 | P | 39.3 | Very low | 32.9 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | -127.2 | 155.9 | 135.4 | 37.9 | -29.7 | 0 | 0 | 0 | 114.2 | | |
| 163 | E | 31.6 | Very low | 32.6 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | trans | -107.1 | 159.2 | 161.2 | -64.1 | -177.3 | 108.3 | 0 | 0 | 109.6 | | |
| 164 | E | 31 | Very low | 32.6 | Very low | 183 Ų | 183 | 134.3 Ų | 134.3 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | | | | 172 | 154.8 | 120 | -99 | -148.6 | 117.2 | 0 | 0 | 116.2 | | |
| 165 | V | 30.7 | Very low | 33 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 61% | 0.606 | 80% | 0.798 | S | S | * | * | | | trans | 69.5 | 102.5 | 146.5 | 173 | 0 | 0 | 0 | 0 | 122.1 | | |
| 166 | N | 31.2 | Very low | 33.4 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | | | | 31.4 | 140.4 | 128.7 | -52.6 | -52.7 | 0 | 0 | 0 | 123.3 | | |
| 167 | S | 31.9 | Very low | 33.7 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | | 172.6 | 121.7 | 104.9 | -75.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 168 | G | 27.7 | Very low | 34 | Very low | 83 Ų | 83 | 132.8 Ų | 132.8 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | trans | 68.8 | 167.4 | 155 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 169 | A | 31.5 | Very low | 34 | Very low | 96 Ų | 96 | 141.6 Ų | 141.6 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | | | cis | -164.1 | 144.7 | -19.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 170 | V | 34.7 | Very low | 34.2 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 93% | 0.927 | 81% | 0.81 | S | S | * | * | | | trans | 40.1 | 123.8 | 154.7 | -174.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 171 | G | 31.1 | Very low | 34.7 | Very low | 68 Ų | 68 | 146.2 Ų | 146.2 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | | | trans | 151.6 | 127.6 | 153 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 172 | P | 45.1 | Very low | 35 | Very low | 141 Ų | 141 | 147.9 Ų | 147.9 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | | | trans | -100.6 | 161.7 | 179.3 | 38.6 | -34 | 0 | 0 | 0 | 114.2 | | |
| 173 | G | 30.3 | Very low | 35.1 | Very low | 75 Ų | 75 | 150 Ų | 150 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | | | trans | 173.1 | 135.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 174 | D | 33.1 | Very low | 35.6 | Very low | 161 Ų | 161 | 152.2 Ų | 152.2 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | | | trans | -87.2 | 161.9 | -163.3 | -64 | -73.2 | 0 | 0 | 0 | 116.9 | | |
| 175 | E | 39.2 | Very low | 36.1 | Very low | 172 Ų | 172 | 152.2 Ų | 152.2 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | trans | 89.1 | 151.5 | 135.9 | -101.1 | -170.5 | 172.5 | 0 | 0 | 125.5 | | |
| 176 | I | 37.8 | Very low | 36.4 | Very low | 138 Ų | 138 | 156 Ų | 156 | 71% | 0.708 | 83% | 0.831 | S | S | * | * | | | trans | 64.9 | 87 | 157.5 | -58.5 | 156.8 | 0 | 0 | 0 | 119.6 | | |
| 177 | I | 39.8 | Very low | 36.6 | Very low | 150 Ų | 150 | 154.2 Ų | 154.2 | 77% | 0.769 | 84% | 0.835 | S | S | * | * | | | | 9.8 | 113.2 | 129.1 | -38.8 | 176.5 | 0 | 0 | 0 | 117.7 | | |
| 178 | T | 34.4 | Very low | 36.6 | Very low | 131 Ų | 131 | 151.9 Ų | 151.9 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | | | | 172 | 122.9 | 115.1 | 33.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 179 | R | 33.8 | Very low | 37 | Very low | 241 Ų | 241 | 153.6 Ų | 153.6 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | | | trans | -138.3 | 102.8 | 167.3 | -79.4 | -169.5 | 173.5 | -179.4 | -1.4 | 112.2 | K181 | R179-K181 PolarHBondContact O-N 2.84Š|
| 180 | R | 38.6 | Very low | 37.7 | Very low | 255 Ų | 255 | 154.5 Ų | 154.5 | 96% | 0.962 | 83% | 0.826 | S | S | * | * | | | trans | -62.2 | 112.5 | 167.5 | -66.8 | 176.7 | 176.5 | 169.6 | -2.1 | 109.3 | | |
| 181 | K | 40.6 | Very low | 37.6 | Very low | 200 Ų | 200 | 155.5 Ų | 155.5 | 87% | 0.87 | 83% | 0.826 | S | S | * | * | | | trans | -88.7 | 105.6 | 173.7 | -79.7 | -173.9 | 176.6 | 177.8 | 0 | 110.9 | R179 L183 | R179-K181 PolarHBondContact O-N 2.84Å; K181-L183 PolarHBondContact O-N 3.03Å |
| 182 | K | 41 | Very low | 37.9 | Very low | 200 Ų | 200 | 160.8 Ų | 160.8 | 87% | 0.87 | 84% | 0.835 | S | S | * | * | | | trans | -79 | 93.5 | 175.7 | -172.3 | 175.9 | -173.3 | 173.9 | 0 | 109.9 | R184 | K182-R184 PolarHBondContact O-N 3.01Š|
| 183 | L | 41.7 | Very low | 37.3 | Very low | 162 Ų | 162 | 163.4 Ų | 163.4 | 85% | 0.848 | 83% | 0.831 | S | S | * | * | | | trans | -78.5 | 104.4 | 180 | -165.4 | 75.5 | 0 | 0 | 0 | 111 | K181 | K181-L183 PolarHBondContact O-N 3.03Š|
| 184 | R | 42.4 | Very low | 37.7 | Very low | 229 Ų | 229 | 167.4 Ų | 167.4 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | | | trans | -83.5 | 130.6 | 158.7 | -90.4 | -171 | 166.6 | -147.9 | -1.2 | 109.3 | K182 | K182-R184 PolarHBondContact O-N 3.01Š|
| 185 | K | 41.8 | Very low | 38.1 | Very low | 184 Ų | 184 | 164.7 Ų | 164.7 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | | | trans | -153 | 109.2 | 147 | -103.2 | 168.2 | -177.5 | -175.3 | 0 | 106.4 | | |
| 186 | Q | 36.6 | Very low | 37.8 | Very low | 180 Ų | 180 | 163.2 Ų | 163.2 | 84% | 0.841 | 82% | 0.82 | S | S | * | * | | | | 75.4 | 87.9 | 89.2 | -73.8 | -74.3 | 24.5 | 0 | 0 | 111 | | |
| 187 | A | 35 | Very low | 38 | Very low | 101 Ų | 101 | 164.5 Ų | 164.5 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | | | trans | -79.9 | 139.2 | 158 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 188 | G | 33.3 | Very low | 37.7 | Very low | 70 Ų | 70 | 161.3 Ų | 161.3 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | | | trans | 171.4 | 62.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | P190 | G188-P190 VanDerWaalsContact O-CD 3.32Å; G188-P190 WeakPolarHBondContact O-CD 3.42Å |
| 189 | S | 36.2 | Very low | 37.7 | Very low | 119 Ų | 119 | 164 Ų | 164 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -67 | 119.4 | -176.6 | -51.5 | 0 | 0 | 0 | 0 | 111.2 | L191 | S189-L191 PolarHBondContact O-N 3.27Š|
| 190 | P | 45.1 | Very low | 37.5 | Very low | 114 Ų | 114 | 158 Ų | 158 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 121.6 | 166.6 | -8.9 | 26.8 | 0 | 0 | 0 | 108.5 | G188 M192 | G188-P190 VanDerWaalsContact O-CD 3.32Å; G188-P190 WeakPolarHBondContact O-CD 3.42Å; P190-M192 PolarHBondContact O-N 3.47Å |
| 191 | L | 32 | Very low | 37.2 | Very low | 174 Ų | 174 | 153.8 Ų | 153.8 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -56 | 126.8 | 169.9 | -88.4 | 159.2 | 0 | 0 | 0 | 109.7 | S189 K193 | S189-L191 PolarHBondContact O-N 3.27Å; L191-K193 PolarHBondContact O-N 3.12Å |
| 192 | M | 37.3 | Very low | 36.6 | Very low | 180 Ų | 180 | 151.4 Ų | 151.4 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 123.5 | 175.2 | -82.4 | -66.9 | 167.2 | 0 | 0 | 109.9 | P190 | P190-M192 PolarHBondContact O-N 3.47Š|
| 193 | K | 33.5 | Very low | 36.1 | Very low | 195 Ų | 195 | 149 Ų | 149 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 124.3 | 176.4 | -175.6 | 178.3 | 178.2 | -177.6 | 0 | 109.1 | L191 | L191-K193 PolarHBondContact O-N 3.12Š|
| 194 | M | 38.6 | Very low | 35.5 | Very low | 160 Ų | 160 | 146.2 Ų | 146.2 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 137.8 | 175 | -73.8 | -63.9 | -70.3 | 0 | 0 | 111.3 | D196 | M194-D196 PolarHBondContact O-N 2.89Š|
| 195 | P | 41.8 | Very low | 34.9 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 123 | 170.5 | -19.5 | 32.7 | 0 | 0 | 0 | 110.7 | | |
| 196 | D | 32.9 | Very low | 34.3 | Very low | 141 Ų | 141 | 138 Ų | 138 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 121.6 | 167.9 | -172.6 | -16.4 | 0 | 0 | 0 | 108.3 | M194 S198 | M194-D196 PolarHBondContact O-N 2.89Å; D196-S198 PolarHBondContact OD1-OG 2.89Å |
| 197 | L | 42.2 | Very low | 33.8 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | trans | -110.5 | 76.5 | -176.6 | -70.8 | -179.2 | 0 | 0 | 0 | 110.9 | | |
| 198 | S | 32.9 | Very low | 33.3 | Very low | 84 Ų | 84 | 137.5 Ų | 137.5 | 59% | 0.587 | 78% | 0.779 | S | S | * | * | | | trans | -140.5 | 143.3 | 165.7 | 60.7 | 0 | 0 | 0 | 0 | 111.3 | D196 | D196-S198 PolarHBondContact OD1-OG 2.89Š|
| 199 | Q | 33.5 | Very low | 33.2 | Very low | 188 Ų | 188 | 139.7 Ų | 139.7 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | | | trans | 69.5 | 134.2 | -173.9 | -55.9 | -170.3 | 11.2 | 0 | 0 | 115.3 | | |
| 200 | T | 29.5 | Very low | 32.6 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | cis | -140.5 | 137.7 | 0.2 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 201 | Q | 32.7 | Very low | 31.6 | Very low | 167 Ų | 167 | 141.3 Ų | 141.3 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | | | trans | 38.6 | 113.9 | 140.7 | -69.3 | 179.6 | -33.7 | 0 | 0 | 122.2 | | |
| 202 | N | 29.7 | Very low | 31.5 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | | | | 51.7 | 116.9 | 118.3 | -56.5 | 0.9 | 0 | 0 | 0 | 121.1 | | |
| 203 | V | 30.3 | Very low | 30.9 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | | | trans | -133.6 | 115.8 | 141.4 | -175 | 0 | 0 | 0 | 0 | 108.9 | | |
| 204 | S | 28.6 | Very low | 30.6 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | | | trans | -99.4 | 165.9 | 155.5 | 71.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 205 | S | 29.9 | Very low | 30.1 | Very low | 84 Ų | 84 | 134.3 Ų | 134.3 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | | | cis | -161.3 | 169.2 | 26.7 | -80.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 206 | Q | 29.5 | Very low | 29.5 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 73% | 0.729 | 78% | 0.782 | S | S | * | * | | | cis | -162.1 | 168.6 | -11.8 | -106.1 | 160.6 | -107.3 | 0 | 0 | 106.1 | | |
| 207 | N | 25.2 | Very low | 29.3 | Very low | 149 Ų | 149 | 133 Ų | 133 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | | 177.6 | 137.9 | 88.3 | -95.2 | -25 | 0 | 0 | 0 | 110.6 | | |
| 208 | S | 25.2 | Very low | 28.7 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | trans | -158.8 | 147.1 | 144.5 | -100.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 209 | P | 31.6 | Very low | 28.5 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | | | trans | -89.2 | 148.3 | -161.2 | 34.4 | -36.1 | 0 | 0 | 0 | 114.2 | | |
| 210 | S | 22.9 | Very low | 28.2 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | trans | -83.8 | 133.1 | 157.8 | 55.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 211 | I | 24.7 | Very low | 28.4 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | | | trans | -112.9 | 129.5 | 161.3 | -64.2 | 178.5 | 0 | 0 | 0 | 107.6 | | |
| 212 | T | 29.9 | Very low | 29 | Very low | 131 Ų | 131 | 129.3 Ų | 129.3 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -116.4 | 124.5 | 175.8 | 49 | 0 | 0 | 0 | 0 | 109.4 | | |
| 213 | E | 24.3 | Very low | 29.2 | Very low | 176 Ų | 176 | 130 Ų | 130 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | | | trans | -98.2 | 121 | 166.1 | -76.7 | -156.1 | 113.7 | 0 | 0 | 111.5 | | |
| 214 | S | 27.3 | Very low | 29.1 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | | | trans | -165.3 | 123.4 | 152.4 | -81.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 215 | V | 27.2 | Very low | 29.2 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | | | trans | -104.3 | 135.6 | -162.9 | -176 | 0 | 0 | 0 | 0 | 111.7 | | |
| 216 | S | 30.1 | Very low | 29.4 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | trans | -162.6 | 118.7 | 154.8 | -85.7 | 0 | 0 | 0 | 0 | 115 | | |
| 217 | A | 29.3 | Very low | 29.3 | Very low | 97 Ų | 97 | 129 Ų | 129 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | trans | 37.4 | 88.5 | 146.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 218 | H | 27.6 | Very low | 29.6 | Very low | 149 Ų | 149 | 128 Ų | 128 | 69% | 0.69 | 79% | 0.787 | S | S | * | * | | | | 11.1 | 122.9 | 127.5 | -175.9 | -71 | 0 | 0 | 0 | 120.6 | | |
| 219 | L | 30.6 | Very low | 30.4 | Very low | 157 Ų | 157 | 128 Ų | 128 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | trans | -141.3 | 165.9 | 141.3 | -83 | -173.5 | 0 | 0 | 0 | 110.6 | | |
| 220 | D | 27 | Very low | 30.5 | Very low | 126 Ų | 126 | 129 Ų | 129 | 67% | 0.674 | 78% | 0.781 | S | S | * | * | | | trans | -69 | 135.3 | -154.9 | -64.5 | -85.2 | 0 | 0 | 0 | 119.1 | | |
| 221 | S | 32.9 | Very low | 31.1 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | | 10.9 | 154.5 | 122 | -69.9 | 0 | 0 | 0 | 0 | 121.3 | | |
| 222 | P | 46.3 | Very low | 31.4 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | | | cis | -146.9 | -174.9 | -22.6 | 40 | -20.5 | 0 | 0 | 0 | 116.4 | | |
| 223 | Q | 32.2 | Very low | 31.5 | Very low | 165 Ų | 165 | 131.9 Ų | 131.9 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | | | trans | 89.2 | 138.3 | 141.5 | -94.5 | 175.7 | -14.7 | 0 | 0 | 122.5 | | |
| 224 | Q | 29.8 | Very low | 32 | Very low | 172 Ų | 172 | 127.5 Ų | 127.5 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | trans | 70.5 | 149.3 | 163.9 | -59.9 | 171.4 | 32.4 | 0 | 0 | 118.1 | | |
| 225 | S | 29.2 | Very low | 32.2 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | | | cis | -168.6 | 140.3 | -34.6 | 53.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 226 | S | 34 | Very low | 33 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | | | trans | 51.1 | 92.5 | 148 | -55 | 0 | 0 | 0 | 0 | 121.8 | | |
| 227 | G | 27.9 | Very low | 33.3 | Very low | 79 Ų | 79 | 135.9 Ų | 135.9 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | | | | 85.4 | -169.2 | 114.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 228 | S | 32.1 | Very low | 33.4 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | | | trans | 87.3 | 153.8 | -174.1 | -150.4 | 0 | 0 | 0 | 0 | 117.5 | | |
| 229 | T | 42.7 | Very low | 34.1 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | | | trans | -119.2 | 145.8 | -173.5 | 50.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 230 | D | 32.5 | Very low | 34.4 | Very low | 138 Ų | 138 | 135.1 Ų | 135.1 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | | | trans | -176.4 | 140.1 | 138.4 | -92.3 | -12.8 | 0 | 0 | 0 | 107.2 | | |
| 231 | I | 34.8 | Very low | 34.7 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | | | | 89.8 | 150 | 52.5 | -73.6 | -177.7 | 0 | 0 | 0 | 112.6 | | |
| 232 | E | 30.8 | Very low | 34.8 | Very low | 175 Ų | 175 | 139.7 Ų | 139.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | 79.4 | 90.5 | 173.5 | -82.6 | 177.2 | 172.2 | 0 | 0 | 120.7 | | |
| 233 | D | 34 | Very low | 34.3 | Very low | 139 Ų | 139 | 139.9 Ų | 139.9 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | | | | 84.6 | 129.2 | 106.1 | -123.3 | -12.2 | 0 | 0 | 0 | 123.7 | | |
| 234 | S | 33.4 | Very low | 35 | Very low | 85 Ų | 85 | 140.7 Ų | 140.7 | 59% | 0.594 | 79% | 0.794 | S | S | * | * | | | trans | 27.7 | 120.3 | 139.4 | -63.4 | 0 | 0 | 0 | 0 | 121.5 | | |
| 235 | Q | 31 | Very low | 35.4 | Very low | 194 Ų | 194 | 138 Ų | 138 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | | | | -156.9 | 147.3 | 95.8 | -108.5 | 151.4 | 100 | 0 | 0 | 114.4 | | |
| 236 | L | 45.5 | Very low | 36.2 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | -83.9 | 127.9 | 172.4 | -66.9 | 167.7 | 0 | 0 | 0 | 110.1 | | |
| 237 | Q | 35.4 | Very low | 36.3 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | | | trans | -131.4 | 157.7 | 151.2 | -79.1 | -139.7 | -20.7 | 0 | 0 | 111.1 | | |
| 238 | M | 31.9 | Very low | 36.9 | Very low | 168 Ų | 168 | 143.6 Ų | 143.6 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | | | trans | -83.8 | 164.1 | -168.9 | -64 | -86.8 | 87.1 | 0 | 0 | 112.8 | | |
| 239 | S | 42 | Very low | 37.1 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | -36.3 | 127.7 | 172.9 | 179.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 240 | P | 38 | Very low | 37 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | | | trans | -92.4 | 126.1 | 138.5 | 33 | -25.3 | 0 | 0 | 0 | 109.3 | | |
| 241 | V | 32.1 | Very low | 37.4 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | | | | 61.8 | 112.7 | 73.8 | 179.1 | 0 | 0 | 0 | 0 | 112 | P243 | V241-P243 WeakPolarHBondContact O-CD 3.48Š|
| 242 | F | 36.1 | Very low | 37.4 | Very low | 203 Ų | 203 | 143.2 Ų | 143.2 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | | | trans | -66.1 | 127.1 | -179.6 | -67.4 | -88.2 | 0 | 0 | 0 | 112.5 | | |
| 243 | P | 36.1 | Very low | 37.9 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | | | trans | -82.5 | 121.3 | 162.7 | 31.8 | -30.1 | 0 | 0 | 0 | 110.5 | V241 T245 | V241-P243 WeakPolarHBondContact O-CD 3.48Å; P243-T245 PolarHBondContact O-N 2.91Å; P243-T245 VanDerWaalsContact O-N 3.14Å |
| 244 | L | 46.1 | Very low | 38.4 | Very low | 182 Ų | 182 | 139.2 Ų | 139.2 | 95% | 0.953 | 78% | 0.783 | S | S | * | * | | | trans | -69.1 | 102.4 | 168 | -80.7 | 159.8 | 0 | 0 | 0 | 110 | | |
| 245 | T | 38.8 | Very low | 39.1 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | -99.1 | 105.7 | 171.3 | 44.2 | 0 | 0 | 0 | 0 | 110.8 | P243 C247 | P243-T245 PolarHBondContact O-N 2.91Å; P243-T245 VanDerWaalsContact O-N 3.14Å; T245-C247 PolarHBondContact O-N 2.99Å |
| 246 | G | 44.9 | Very low | 40.2 | Very low | 82 Ų | 82 | 144.4 Ų | 144.4 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | -75.5 | 91.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R248 | G246-R248 PolarHBondContact O-N 3.4Å; G246-R248 VanDerWaalsContact O-N 3.15Å |
| 247 | C | 36.6 | Very low | 40.4 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | | | trans | -73.8 | 99 | 172 | -68.8 | 0 | 0 | 0 | 0 | 111.2 | T245 A249 | T245-C247 PolarHBondContact O-N 2.99Å; C247-A249 PolarHBondContact O-N 3.28Å; C247-A249 VanDerWaalsContact O-N 3.16Å |
| 248 | R | 39.1 | Very low | 41.4 | Very low | 213 Ų | 213 | 137.9 Ų | 137.9 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | -78.7 | 94 | 177.2 | -164.9 | -178 | -154.4 | -86 | -1.2 | 110.7 | G246 E250 | G246-R248 PolarHBondContact O-N 3.4Å; G246-R248 VanDerWaalsContact O-N 3.15Å; R248-E250 IonicContact NH1-OE1 2.69Å; R248-E250 PolarHBondContact O-N 3.16Å |
| 249 | A | 37.5 | Very low | 42.3 | Very low | 89 Ų | 89 | 134.9 Ų | 134.9 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | | | trans | -69.1 | 117.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | C247 | C247-A249 PolarHBondContact O-N 3.28Å; C247-A249 VanDerWaalsContact O-N 3.16Å |
| 250 | E | 40.2 | Very low | 42.8 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | | | trans | -97.4 | 98.4 | -179 | -173.1 | 143.5 | -117.6 | 0 | 0 | 110.9 | R248 H252 | R248-E250 IonicContact NH1-OE1 2.69Å; R248-E250 PolarHBondContact O-N 3.16Å; E250-H252 PolarHBondContact O-N 2.94Å |
| 251 | V | 40.7 | Very low | 43.7 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | trans | -86.4 | 103.1 | 179.4 | -177 | 0 | 0 | 0 | 0 | 109.8 | V253 | V251-V253 HydrophobicContact CG1-CG2 4.05Å; V251-V253 PolarHBondContact O-N 3.09Å |
| 252 | H | 34.5 | Very low | 44.6 | Very low | 173 Ų | 173 | 133.7 Ų | 133.7 | 80% | 0.801 | 72% | 0.724 | S | S | * | * | | | trans | -72.1 | 93.4 | 171.8 | -87.2 | -76.4 | 0 | 0 | 0 | 111.5 | E250 | E250-H252 PolarHBondContact O-N 2.94Š|
| 253 | V | 42.6 | Very low | 45.3 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 73% | 0.733 | 71% | 0.705 | S | S | * | * | | | trans | -81.8 | 118.6 | 168.3 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | V251 R255 | V251-V253 HydrophobicContact CG1-CG2 4.05Å; V251-V253 PolarHBondContact O-N 3.09Å; V253-R255 PolarHBondContact O-N 3.18Å |
| 254 | S | 44.4 | Very low | 45.9 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | | | trans | -58.3 | 126.4 | 171.7 | -66.1 | 0 | 0 | 0 | 0 | 110.5 | L256 | S254-L256 PolarHBondContact O-N 2.95Å; S254-L256 VanDerWaalsContact O-N 3.1Å |
| 255 | R | 47 | Very low | 46.2 | Very low | 236 Ų | 236 | 125.6 Ų | 125.6 | 89% | 0.891 | 69% | 0.686 | S | S | * | * | | | trans | -60.5 | 114.3 | -178.1 | -70 | 175.6 | 61.9 | -167.9 | -2.3 | 110.5 | V253 | V253-R255 PolarHBondContact O-N 3.18Š|
| 256 | L | 54.2 | Low | 46.7 | Very low | 153 Ų | 153 | 124.8 Ų | 124.8 | 80% | 0.801 | 69% | 0.685 | S | S | * | * | | | trans | -58.4 | 142.1 | 166.8 | -64.4 | 174.2 | 0 | 0 | 0 | 109.5 | S254 L258 | S254-L256 PolarHBondContact O-N 2.95Å; S254-L256 VanDerWaalsContact O-N 3.1Å; L256-L258 PolarHBondContact O-N 3.16Å |
| 257 | N | 50.3 | Low | 46.9 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 58% | 0.578 | 67% | 0.672 | S | S | * | * | | | trans | -67.4 | 133.8 | -176.6 | -167.9 | 18.7 | 0 | 0 | 0 | 110.6 | D259 L260 | N257-D259 VanDerWaalsContact C-N 3.33Å; N257-D259 PolarHBondContact ND2-OD2 3.4Å; N257-D259 VanDerWaalsContact ND2-OD2 3.12Å; N257-D259 PolarHBondContact O-N 3.36Å; N257-L260 PolarHBondContact O-N 2.94Å |
| 258 | L | 57 | Low | 47.2 | Very low | 110 Ų | 110 | 121.7 Ų | 121.7 | 58% | 0.576 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67 | -36 | -167.2 | -171.9 | 59.8 | 0 | 0 | 0 | 112.1 | L256 L260 V261 E262 | L256-L258 PolarHBondContact O-N 3.16Å; L258-L260 PolarHBondContact O-N 3.44Å; L258-V261 WeakPolarHBondContact O-CB 3.45Å; L258-V261 PolarHBondContact O-N 3.32Å; L258-E262 PolarHBondContact O-N 3.37Å |
| 259 | D | 50.4 | Low | 47.2 | Very low | 106 Ų | 106 | 117 Ų | 117 | 57% | 0.567 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -57.6 | -36 | -177.6 | -44.6 | -28.5 | 0 | 0 | 0 | 112.5 | N257 V261 E262 T263 | N257-D259 VanDerWaalsContact C-N 3.33Å; N257-D259 PolarHBondContact ND2-OD2 3.4Å; N257-D259 VanDerWaalsContact ND2-OD2 3.12Å; N257-D259 PolarHBondContact O-N 3.36Å; D259-V261 VanDerWaalsContact C-N 3.27Å; D259-V261 PolarHBondContact O-N 2.94Å; D259-E262 PolarHBondContact O-N 3.41Å; D259-T263 PolarHBondContact O-N 3.4Å; D259-T263 PolarHBondContact O-OG1 3.22Å |
| 260 | L | 52.9 | Low | 47.1 | Very low | 124 Ų | 124 | 119.5 Ų | 119.5 | 65% | 0.649 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -70.9 | -24.5 | 179.6 | -166.5 | 67.5 | 0 | 0 | 0 | 112.4 | N257 L258 T263 C264 | N257-L260 PolarHBondContact O-N 2.94Å; L258-L260 PolarHBondContact O-N 3.44Å; L260-T263 WeakPolarHBondContact CA-OG1 3.16Å; L260-T263 PolarHBondContact O-OG1 3.4Å; L260-C264 PolarHBondContact O-SG 3.36Å |
| 261 | V | 55.7 | Low | 47 | Very low | 65 Ų | 65 | 121 Ų | 121 | 39% | 0.394 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -84.7 | -19.1 | -179.6 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | L258 D259 K265 | L258-V261 WeakPolarHBondContact O-CB 3.45Å; L258-V261 PolarHBondContact O-N 3.32Å; D259-V261 VanDerWaalsContact C-N 3.27Å; D259-V261 PolarHBondContact O-N 2.94Å; V261-K265 WeakPolarHBondContact O-CD 3.22Å; V261-K265 WeakPolarHBondContact O-CE 3.49Å; V261-K265 WeakPolarHBondContact O-CG 3.29Å |
| 262 | E | 51 | Low | 46.8 | Very low | 126 Ų | 126 | 121.5 Ų | 121.5 | 59% | 0.589 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -83.4 | -39.6 | 170.9 | -63.2 | -157.2 | 132.6 | 0 | 0 | 111.9 | L258 D259 C264 K265 S266 | L258-E262 PolarHBondContact O-N 3.37Å; D259-E262 PolarHBondContact O-N 3.41Å; E262-C264 PolarHBondContact O-N 2.94Å; E262-K265 WeakPolarHBondContact O-CB 3.48Å; E262-K265 PolarHBondContact O-N 3.43Å; E262-S266 PolarHBondContact O-N 3.46Å |
| 263 | T | 51.1 | Low | 46.6 | Very low | 80 Ų | 80 | 116.7 Ų | 116.7 | 49% | 0.491 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -57.4 | -36.1 | 176.5 | 43.7 | 0 | 0 | 0 | 0 | 113.4 | D259 L260 K265 S266 | D259-T263 PolarHBondContact O-N 3.4Å; D259-T263 PolarHBondContact O-OG1 3.22Å; L260-T263 WeakPolarHBondContact CA-OG1 3.16Å; L260-T263 PolarHBondContact O-OG1 3.4Å; T263-K265 VanDerWaalsContact C-N 3.28Å; T263-K265 PolarHBondContact O-N 3.38Å; T263-S266 PolarHBondContact O-N 3.46Å; T263-S266 PolarHBondContact O-OG 2.98Å |
| 264 | C | 49.1 | Very low | 46.4 | Very low | 87 Ų | 87 | 119 Ų | 119 | 59% | 0.588 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -77.3 | -7.6 | 177.3 | -62 | 0 | 0 | 0 | 0 | 114.3 | L260 E262 S267 | L260-C264 PolarHBondContact O-SG 3.36Å; E262-C264 PolarHBondContact O-N 2.94Å; C264-S267 PolarHBondContact O-OG 3.12Å |
| 265 | K | 51.3 | Low | 45.8 | Very low | 157 Ų | 157 | 121 Ų | 121 | 68% | 0.683 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -93 | -20.5 | 173.4 | -67.6 | 169.4 | -172.3 | 166.8 | 0 | 112.6 | V261 E262 T263 | V261-K265 WeakPolarHBondContact O-CD 3.22Å; V261-K265 WeakPolarHBondContact O-CE 3.49Å; V261-K265 WeakPolarHBondContact O-CG 3.29Å; E262-K265 WeakPolarHBondContact O-CB 3.48Å; E262-K265 PolarHBondContact O-N 3.43Å; T263-K265 VanDerWaalsContact C-N 3.28Å; T263-K265 PolarHBondContact O-N 3.38Å |
| 266 | S | 50.8 | Low | 45.3 | Very low | 99 Ų | 99 | 118.4 Ų | 118.4 | 69% | 0.692 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -81 | -15 | 173 | 35.8 | 0 | 0 | 0 | 0 | 114.2 | E262 T263 G268 | E262-S266 PolarHBondContact O-N 3.46Å; T263-S266 PolarHBondContact O-N 3.46Å; T263-S266 PolarHBondContact O-OG 2.98Å; S266-G268 PolarHBondContact O-N 3.23Å |
| 267 | S | 49.4 | Very low | 44.2 | Very low | 83 Ų | 83 | 113.9 Ų | 113.9 | 58% | 0.58 | 67% | 0.672 | S | S | * | * | | | trans | -95.6 | 87.6 | 178.3 | 55.6 | 0 | 0 | 0 | 0 | 111.8 | C264 | C264-S267 PolarHBondContact O-OG 3.12Š|
| 268 | G | 42 | Very low | 43.3 | Very low | 55 Ų | 55 | 119.8 Ų | 119.8 | 57% | 0.567 | 69% | 0.686 | S | S | * | * | | | trans | -69.2 | 157.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S266 V270 | S266-G268 PolarHBondContact O-N 3.23Å; G268-V270 PolarHBondContact O-N 3.2Å |
| 269 | P | 38.3 | Very low | 42 | Very low | 116 Ų | 116 | 121.1 Ų | 121.1 | 75% | 0.753 | 69% | 0.689 | S | S | * | * | | | trans | -66.6 | 121.3 | 178.5 | 27.5 | -33.7 | 0 | 0 | 0 | 110.9 | F271 | P269-F271 HydrophobicContact CB-CE2 4.42Å; P269-F271 HydrophobicContact CG-CE2 4.47Å; P269-F271 PolarHBondContact O-N 3.42Å |
| 270 | V | 36.4 | Very low | 41.2 | Very low | 140 Ų | 140 | 125.1 Ų | 125.1 | 85% | 0.848 | 70% | 0.696 | S | S | * | * | | | trans | -84.1 | 107.5 | 171.8 | 178.8 | 0 | 0 | 0 | 0 | 108.4 | G268 | G268-V270 PolarHBondContact O-N 3.2Š|
| 271 | F | 38.8 | Very low | 40.1 | Very low | 175 Ų | 175 | 125.5 Ų | 125.5 | 77% | 0.768 | 70% | 0.695 | S | S | * | * | | | trans | -81 | 140.2 | 162 | -74 | -88.3 | 0 | 0 | 0 | 109.3 | P269 G273 | P269-F271 HydrophobicContact CB-CE2 4.42Å; P269-F271 HydrophobicContact CG-CE2 4.47Å; P269-F271 PolarHBondContact O-N 3.42Å; F271-G273 PolarHBondContact O-N 2.82Å |
| 272 | P | 35.5 | Very low | 39.1 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | | | trans | -62.8 | 129.6 | 163.2 | -14.4 | 29.2 | 0 | 0 | 0 | 108.9 | | |
| 273 | G | 31 | Very low | 38.1 | Very low | 72 Ų | 72 | 129.5 Ų | 129.5 | 74% | 0.742 | 71% | 0.713 | S | S | * | * | | | trans | -124.7 | 122.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | F271 | F271-G273 PolarHBondContact O-N 2.82Š|
| 274 | D | 37.5 | Very low | 37.2 | Very low | 170 Ų | 170 | 133 Ų | 133 | 91% | 0.909 | 72% | 0.724 | S | S | * | * | | | trans | -69.4 | 133.5 | 174.6 | -65.7 | -63.9 | 0 | 0 | 0 | 111 | M276 | D274-M276 PolarHBondContact O-N 3.4Š|
| 275 | D | 32.5 | Very low | 36.1 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 81% | 0.807 | 73% | 0.733 | S | S | * | * | | | trans | -89 | 99 | -176 | -176.5 | 13.4 | 0 | 0 | 0 | 111.9 | | |
| 276 | M | 35.5 | Very low | 35.8 | Very low | 180 Ų | 180 | 132.1 Ų | 132.1 | 89% | 0.887 | 74% | 0.736 | S | S | * | * | | | trans | -137.5 | 69.7 | 168.7 | -77.6 | -62 | -68.2 | 0 | 0 | 111.3 | D274 | D274-M276 PolarHBondContact O-N 3.4Š|
| 277 | G | 30.7 | Very low | 34.7 | Very low | 59 Ų | 59 | 133.3 Ų | 133.3 | 61% | 0.608 | 74% | 0.739 | S | S | * | * | | | trans | -75.9 | 134.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 278 | R | 32.3 | Very low | 33.8 | Very low | 232 Ų | 232 | 138.3 Ų | 138.3 | 88% | 0.875 | 75% | 0.751 | S | S | * | * | | | trans | -162.9 | 108.1 | 141.9 | -125.3 | 170.4 | -96.2 | -103.8 | 2.6 | 115.2 | | |
| 279 | E | 30.5 | Very low | 33.2 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 64% | 0.64 | 76% | 0.755 | S | S | * | * | | | trans | 47.7 | 138.9 | 144 | -94.3 | -177.1 | 100.1 | 0 | 0 | 123.8 | | |
| 280 | R | 32 | Very low | 32.8 | Very low | 190 Ų | 190 | 144.7 Ų | 144.7 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | | | trans | 83.5 | 139.4 | 147.3 | -74.4 | 174.8 | -161.5 | -88.3 | -8.8 | 118.9 | | |
| 281 | Q | 30.8 | Very low | 32.8 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 62% | 0.617 | 76% | 0.758 | S | S | * | * | | | cis | -168.6 | 127.7 | -5.5 | -178.2 | 174.2 | -64.1 | 0 | 0 | 113.4 | | |
| 282 | L | 33.7 | Very low | 32.5 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | | | trans | 63 | 152.7 | 161.4 | -84.9 | 67.2 | 0 | 0 | 0 | 116.1 | | |
| 283 | E | 31.4 | Very low | 32.1 | Very low | 135 Ų | 135 | 141.2 Ų | 141.2 | 63% | 0.631 | 76% | 0.758 | S | S | * | * | | | cis | -152.8 | 157.2 | -7.7 | -89.8 | -109.3 | 70.7 | 0 | 0 | 113 | | |
| 284 | Q | 31.8 | Very low | 32.1 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | | | trans | 50.3 | 109.5 | 145.1 | -69.9 | 168.1 | 34.1 | 0 | 0 | 122.3 | | |
| 285 | S | 25.4 | Very low | 31.7 | Very low | 110 Ų | 110 | 144 Ų | 144 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | | | trans | -65.2 | -171.7 | 145.4 | -5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 286 | P | 45.6 | Very low | 31.7 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | | | cis | -122.4 | -154.4 | 6.6 | 24.4 | 3.6 | 0 | 0 | 0 | 110.9 | | |
| 287 | T | 28.5 | Very low | 31.4 | Very low | 124 Ų | 124 | 146 Ų | 146 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | | | cis | -148.1 | 169.8 | 17.4 | 58.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 288 | F | 29.1 | Very low | 31.4 | Very low | 187 Ų | 187 | 147 Ų | 147 | 82% | 0.82 | 77% | 0.766 | S | S | * | * | | | trans | -53.8 | 171.5 | 151 | -70.9 | -110.7 | 0 | 0 | 0 | 112 | | |
| 289 | V | 29.6 | Very low | 31.3 | Very low | 110 Ų | 110 | 142.8 Ų | 142.8 | 67% | 0.667 | 76% | 0.761 | S | S | * | * | | | cis | -158.5 | 149.8 | 27.3 | -135.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 290 | K | 30.3 | Very low | 31 | Very low | 196 Ų | 196 | 142.1 Ų | 142.1 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | | | trans | 60.4 | 143.8 | 145.7 | -78.8 | 167.1 | -175.5 | 175.2 | 0 | 121.8 | | |
| 291 | S | 36.8 | Very low | 30.8 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | trans | -72.2 | 156.5 | 178.4 | -19.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 292 | P | 31.9 | Very low | 30.6 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -97.4 | 154.4 | 155.4 | 35.8 | -29.3 | 0 | 0 | 0 | 112.3 | | |
| 293 | V | 27.6 | Very low | 30.7 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | | | trans | -114 | 134.1 | 174.6 | 154.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 294 | F | 31.4 | Very low | 31.3 | Very low | 199 Ų | 199 | 138 Ų | 138 | 87% | 0.873 | 78% | 0.78 | S | S | * | * | | | trans | 19.8 | 122.5 | 160 | -73.9 | -101.6 | 0 | 0 | 0 | 120.6 | | |
| 295 | A | 29.3 | Very low | 31.1 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | | | trans | -153.4 | 141.8 | 131.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 296 | R | 30.9 | Very low | 31.2 | Very low | 229 Ų | 229 | 135 Ų | 135 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | trans | -111.5 | 148.2 | 167.9 | -72.1 | 167.1 | 64.9 | -177.9 | 0.3 | 108.6 | | |
| 297 | T | 30.5 | Very low | 30.3 | Very low | 143 Ų | 143 | 138.5 Ų | 138.5 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | | | | 161.8 | 168.5 | 124.7 | 38 | 0 | 0 | 0 | 0 | 112.1 | | |
| 298 | A | 30.5 | Very low | 30.3 | Very low | 80 Ų | 80 | 139.5 Ų | 139.5 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | | | trans | 78.8 | 85.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 299 | D | 29.4 | Very low | 30.4 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | | | | 66.1 | 102.4 | 113.2 | -53.8 | -32.5 | 0 | 0 | 0 | 122.8 | | |
| 300 | C | 25.2 | Very low | 30.2 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | | | | 65.7 | 153.3 | 109.6 | -63.6 | 0 | 0 | 0 | 0 | 123.5 | | |
| 301 | S | 26.6 | Very low | 30 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | | | trans | 99.5 | 86.7 | 142.9 | -168.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 302 | N | 26.4 | Very low | 29.5 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | | 70.2 | 116.3 | 120.5 | -61.3 | -53.7 | 0 | 0 | 0 | 123 | | |
| 303 | H | 36.1 | Very low | 29.3 | Very low | 171 Ų | 171 | 141 Ų | 141 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | | | trans | 67.9 | 174.1 | 130.1 | -83.3 | -60.5 | 0 | 0 | 0 | 119.2 | | |
| 304 | P | 44.4 | Very low | 29.1 | Very low | 112 Ų | 112 | 140 Ų | 140 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | cis | -137.8 | -175.1 | 17.3 | 44.9 | -26.6 | 0 | 0 | 0 | 118.5 | | |
| 305 | A | 28.2 | Very low | 29.6 | Very low | 80 Ų | 80 | 135.7 Ų | 135.7 | 66% | 0.661 | 78% | 0.779 | S | S | * | * | | | trans | 65.8 | 121.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 306 | C | 26.2 | Very low | 29.7 | Very low | 118 Ų | 118 | 139 Ų | 139 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | | 65 | 136.6 | 82.8 | -58.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 307 | E | 28.3 | Very low | 29.7 | Very low | 190 Ų | 190 | 136.8 Ų | 136.8 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | | | cis | -133.3 | -162.3 | 41.7 | -62.8 | 178.6 | 148.4 | 0 | 0 | 114.8 | | |
| 308 | N | 28.4 | Very low | 29.7 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | | | trans | -123.6 | -171.8 | -170 | -71.7 | -92.3 | 0 | 0 | 0 | 112.5 | | |
| 309 | L | 30.4 | Very low | 29.7 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | | | trans | 80.7 | 144.3 | 171.3 | -83.6 | 75.7 | 0 | 0 | 0 | 116.2 | | |
| 310 | E | 24.9 | Very low | 30 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | cis | -153.9 | 163.9 | -7.8 | -170.8 | 159.6 | -154.1 | 0 | 0 | 112.8 | | |
| 311 | L | 27.2 | Very low | 31 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | | | trans | -35 | 150.2 | 176.5 | -57.5 | 160.4 | 0 | 0 | 0 | 119.1 | | |
| 312 | S | 26.1 | Very low | 31 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | | | | -170.2 | 157.1 | 119.7 | -84.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 313 | F | 26.8 | Very low | 31.2 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | | | trans | -100.1 | 159.5 | -176.1 | -65.4 | -108.6 | 0 | 0 | 0 | 112.9 | | |
| 314 | S | 24.5 | Very low | 30.8 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | | -173.1 | 160.8 | 122.4 | -160.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 315 | S | 42.5 | Very low | 30.1 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | trans | -132.5 | 148.4 | 176.6 | -54.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 316 | Q | 29.8 | Very low | 30.2 | Very low | 172 Ų | 172 | 140.8 Ų | 140.8 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -171.5 | 131.6 | 158.3 | -103 | 141.5 | 94.7 | 0 | 0 | 106.3 | | |
| 317 | E | 31.3 | Very low | 30.5 | Very low | 184 Ų | 184 | 140.4 Ų | 140.4 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | cis | 77 | 108.5 | 45.8 | -160.9 | -170.3 | 134 | 0 | 0 | 114.6 | | |
| 318 | S | 30.5 | Very low | 31.1 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | trans | -165.9 | 166.1 | 147.8 | 55.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 319 | S | 31 | Very low | 31.3 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | | | trans | -155 | 153.6 | -167.8 | 62.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 320 | N | 34.4 | Very low | 31.5 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | 71.4 | 163 | 148.6 | -71.4 | -27.1 | 0 | 0 | 0 | 119.7 | | |
| 321 | P | 46.5 | Very low | 32.4 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | cis | -140.6 | 177.2 | -15 | 29.4 | -6.8 | 0 | 0 | 0 | 117.4 | | |
| 322 | T | 26.9 | Very low | 32.5 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | | | trans | 99.5 | 125.3 | 140.5 | -15.8 | 0 | 0 | 0 | 0 | 122 | | |
| 323 | V | 31.1 | Very low | 32.5 | Very low | 113 Ų | 113 | 139 Ų | 139 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | | | | 136.3 | 112 | 129.1 | 175.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 324 | R | 28.3 | Very low | 32.7 | Very low | 232 Ų | 232 | 137.3 Ų | 137.3 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | | | trans | 63.7 | 159.1 | 159.8 | -70.8 | 179.6 | 171.7 | 177.6 | -4.6 | 117.2 | | |
| 325 | S | 29.9 | Very low | 32.7 | Very low | 82 Ų | 82 | 142.1 Ų | 142.1 | 57% | 0.573 | 77% | 0.773 | S | S | * | * | | | cis | -169.5 | 158.7 | -18.3 | -91.9 | 0 | 0 | 0 | 0 | 107 | | |
| 326 | D | 29 | Very low | 32.1 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | cis | -164.4 | -179.4 | -23.3 | -88.3 | -34 | 0 | 0 | 0 | 106.9 | | |
| 327 | S | 32.5 | Very low | 32.7 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | -153.9 | 150.1 | 171.5 | -73.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 328 | P | 41.3 | Very low | 32.4 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | | | trans | -75.7 | 149.9 | -174.2 | 30.5 | -35 | 0 | 0 | 0 | 113.4 | | |
| 329 | Q | 32.4 | Very low | 32.1 | Very low | 189 Ų | 189 | 135 Ų | 135 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | | | trans | -113.2 | 162.4 | -173.9 | -62 | -178.5 | -85.4 | 0 | 0 | 113.5 | | |
| 330 | S | 34.8 | Very low | 32.1 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | | | trans | -73.3 | 162.9 | 165.6 | 55.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 331 | P | 42.6 | Very low | 31.7 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | | | trans | -97.1 | 143.8 | 156.4 | 34.8 | -28.9 | 0 | 0 | 0 | 112.1 | | |
| 332 | V | 30 | Very low | 30.9 | Very low | 91 Ų | 91 | 136.8 Ų | 136.8 | 55% | 0.552 | 77% | 0.77 | S | S | * | * | | | trans | -134.2 | 144 | 177.7 | 171.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 333 | Y | 27.3 | Very low | 30.9 | Very low | 237 Ų | 237 | 138.4 Ų | 138.4 | 93% | 0.929 | 77% | 0.773 | S | S | * | * | | | trans | -147.8 | 149.2 | 152.7 | -87.1 | -62.4 | 0 | 0 | 0 | 113.3 | | |
| 334 | H | 29.4 | Very low | 30.7 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | | | trans | -115.9 | 149.8 | -179.8 | -56.1 | -97.2 | 0 | 0 | 0 | 111.5 | | |
| 335 | K | 25.6 | Very low | 30.7 | Very low | 212 Ų | 212 | 135.7 Ų | 135.7 | 92% | 0.922 | 77% | 0.772 | S | S | * | * | | | | 178 | 136.8 | 125.8 | -95.7 | 152.5 | -173.2 | 173.4 | 0 | 113.9 | | |
| 336 | T | 29.8 | Very low | 30.8 | Very low | 136 Ų | 136 | 139 Ų | 139 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | trans | -84 | -180 | 160.9 | 28.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 337 | P | 42.7 | Very low | 31.3 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | cis | -137.1 | -167.8 | 9.1 | 43.6 | -25.4 | 0 | 0 | 0 | 116.1 | | |
| 338 | S | 24.1 | Very low | 31 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | 80 | 140.1 | 163.8 | -161.7 | 0 | 0 | 0 | 0 | 117 | | |
| 339 | G | 25.6 | Very low | 30.3 | Very low | 59 Ų | 59 | 143.7 Ų | 143.7 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | | | cis | 166.3 | 176.7 | -6.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 340 | Q | 30.3 | Very low | 29.9 | Very low | 184 Ų | 184 | 137.7 Ų | 137.7 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | trans | 71.5 | 115 | 178.1 | -51.4 | -174.3 | 5.2 | 0 | 0 | 114.6 | | |
| 341 | S | 25.8 | Very low | 29.5 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | | 84.6 | 145.9 | 87.1 | 90.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 342 | S | 29.8 | Very low | 28.7 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | | | cis | -159.4 | 169.4 | 20.6 | 59.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 343 | L | 27.5 | Very low | 28.7 | Very low | 157 Ų | 157 | 143.4 Ų | 143.4 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | trans | 30.5 | 147.3 | 148.1 | -83.6 | 63.9 | 0 | 0 | 0 | 121.3 | | |
| 344 | C | 26.7 | Very low | 28.9 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | | | cis | -157 | 178.5 | 14.2 | -138.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 345 | K | 28.2 | Very low | 28.9 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | | | trans | -108.2 | -169.5 | 161.7 | -82.1 | -164.2 | 173.6 | -168.6 | 0 | 110.2 | | |
| 346 | D | 31 | Very low | 29 | Very low | 152 Ų | 152 | 140 Ų | 140 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | | | trans | 94.1 | 149.9 | 155.5 | -76.4 | 14.9 | 0 | 0 | 0 | 119.2 | | |
| 347 | P | 39.9 | Very low | 29.2 | Very low | 120 Ų | 120 | 142 Ų | 142 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | | | | -136.8 | -139 | -128.1 | 44.6 | -25.3 | 0 | 0 | 0 | 115.5 | | |
| 348 | C | 27.1 | Very low | 28.7 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | | | trans | -72.5 | 158.8 | -160 | -46 | 0 | 0 | 0 | 0 | 117.3 | | |
| 349 | R | 25.4 | Very low | 28.9 | Very low | 250 Ų | 250 | 145.9 Ų | 145.9 | 94% | 0.943 | 75% | 0.753 | S | S | * | * | | | trans | 71.1 | 134.6 | 150.2 | -172.9 | -171.1 | -68.4 | -106.2 | 3.2 | 115.8 | | |
| 350 | G | 24.2 | Very low | 29 | Very low | 62 Ų | 62 | 148.3 Ų | 148.3 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | | | cis | 167.3 | -159.6 | -0.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 351 | Q | 26.7 | Very low | 28.8 | Very low | 193 Ų | 193 | 144.8 Ų | 144.8 | 90% | 0.902 | 75% | 0.751 | S | S | * | * | | | trans | 74.6 | 155.9 | -176.4 | -57.9 | -163.3 | 2.3 | 0 | 0 | 115.3 | | |
| 352 | V | 26.4 | Very low | 30.3 | Very low | 109 Ų | 109 | 145.2 Ų | 145.2 | 66% | 0.661 | 75% | 0.752 | S | S | * | * | | | cis | -143.8 | 156.2 | 11.8 | 89.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 353 | E | 29.1 | Very low | 30.1 | Very low | 132 Ų | 132 | 146.1 Ų | 146.1 | 62% | 0.617 | 75% | 0.753 | S | S | * | * | | | trans | 48.7 | 128.9 | 160.7 | -66.8 | -165.1 | 106.4 | 0 | 0 | 125.4 | | |
| 354 | R | 31.4 | Very low | 30 | Very low | 214 Ų | 214 | 146.7 Ų | 146.7 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | | | trans | 38 | 132.5 | 133.8 | -49.5 | -170.6 | -131.3 | -136.9 | 4 | 119.2 | | |
| 355 | R | 29 | Very low | 30 | Very low | 229 Ų | 229 | 146.4 Ų | 146.4 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | | | cis | -150.6 | -179.3 | 49.9 | -127.5 | -173.2 | 177.2 | 134.7 | -3.2 | 113.8 | | |
| 356 | D | 29.1 | Very low | 29.9 | Very low | 94 Ų | 94 | 146.4 Ų | 146.4 | 50% | 0.503 | 75% | 0.749 | S | S | . | * | | | trans | -42 | 159.2 | 173.3 | -53.5 | -96.6 | 0 | 0 | 0 | 115.8 | R358 | D356-R358 IonicContact OD1-CZ 3.66Å; D356-R358 IonicContact OD1-NE 3.32Å; D356-R358 PolarHBondContact OD1-NE 3.12Å; D356-R358 IonicContact OD1-NH2 2.77Å; D356-R358 PolarHBondContact OD1-NH2 2.95Å |
| 357 | E | 32.7 | Very low | 29.7 | Very low | 178 Ų | 178 | 149.4 Ų | 149.4 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | | | cis | -135.7 | 127 | 19.8 | -69.7 | 177.6 | 106.3 | 0 | 0 | 110.8 | | |
| 358 | R | 32.7 | Very low | 29.1 | Very low | 188 Ų | 188 | 150 Ų | 150 | 71% | 0.709 | 75% | 0.75 | S | S | * | * | | | | 74.2 | 129.7 | 77.2 | -65.6 | 172.5 | -165.6 | -107.2 | 2 | 115.9 | D356 | D356-R358 IonicContact OD1-CZ 3.66Å; D356-R358 IonicContact OD1-NE 3.32Å; D356-R358 PolarHBondContact OD1-NE 3.12Å; D356-R358 IonicContact OD1-NH2 2.77Å; D356-R358 PolarHBondContact OD1-NH2 2.95Å |
| 359 | L | 29.2 | Very low | 29.1 | Very low | 133 Ų | 133 | 151 Ų | 151 | 70% | 0.696 | 75% | 0.748 | S | S | * | * | | | cis | -161.6 | 139.6 | -12.3 | -119.2 | 176.6 | 0 | 0 | 0 | 112.2 | | |
| 360 | T | 27.1 | Very low | 29.4 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | | | trans | 40.2 | 109.3 | 153.8 | 45.6 | 0 | 0 | 0 | 0 | 122.4 | | |
| 361 | S | 26.7 | Very low | 29.6 | Very low | 110 Ų | 110 | 150.4 Ų | 150.4 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | | | | 45.4 | 145.6 | 98.7 | -48.5 | 0 | 0 | 0 | 0 | 122.3 | | |
| 362 | P | 56.5 | Low | 29.7 | Very low | 119 Ų | 119 | 148.7 Ų | 148.7 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | | | trans | -85.7 | -178.2 | 177.2 | 39.2 | -38.9 | 0 | 0 | 0 | 113.2 | | |
| 363 | T | 25.1 | Very low | 29.8 | Very low | 114 Ų | 114 | 151.8 Ų | 151.8 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | | | trans | 165.8 | 145.2 | 131.2 | -69.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 364 | E | 25.6 | Very low | 29.8 | Very low | 169 Ų | 169 | 149.5 Ų | 149.5 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | | | trans | 53.2 | 132.3 | 158.5 | -75.7 | 179.3 | 117.6 | 0 | 0 | 126.5 | | |
| 365 | V | 26.6 | Very low | 29.8 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 66% | 0.661 | 75% | 0.75 | S | S | * | * | | | | 53.4 | 102.4 | 126.8 | -174.7 | 0 | 0 | 0 | 0 | 121 | | |
| 366 | Q | 26.6 | Very low | 29.9 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | | | | -171.4 | 136.8 | 120.8 | -97.5 | 148.6 | 112.2 | 0 | 0 | 108.2 | | |
| 367 | R | 26.4 | Very low | 29.9 | Very low | 215 Ų | 215 | 141.8 Ų | 141.8 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | | | | 84.9 | 122.7 | 57.6 | -153 | -176.5 | -156.3 | 161.5 | 6.9 | 112.1 | | |
| 368 | T | 26.9 | Very low | 29.8 | Very low | 133 Ų | 133 | 139 Ų | 139 | 82% | 0.816 | 75% | 0.75 | S | S | * | * | | | trans | 60.5 | 162.1 | 173.6 | 48.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 369 | D | 28.5 | Very low | 29.7 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | | | cis | -178.7 | 168.4 | -34.6 | -162.8 | -9.3 | 0 | 0 | 0 | 106.2 | | |
| 370 | L | 30.1 | Very low | 29.7 | Very low | 136 Ų | 136 | 137 Ų | 137 | 71% | 0.712 | 76% | 0.757 | S | S | * | * | | | trans | 65.3 | 137.7 | -175.4 | -61.6 | 95.3 | 0 | 0 | 0 | 114.8 | | |
| 371 | Q | 29.8 | Very low | 30.5 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | cis | 89.4 | 112.6 | 31.2 | -172.1 | -171 | 65.9 | 0 | 0 | 114.7 | | |
| 372 | L | 29.3 | Very low | 30.9 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | | | trans | 179.6 | 132.9 | 155.2 | -95.5 | 154.6 | 0 | 0 | 0 | 104.9 | | |
| 373 | Q | 26.9 | Very low | 29.4 | Very low | 173 Ų | 173 | 136 Ų | 136 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | | | cis | 59.3 | 136.5 | 47 | -75.2 | -166.7 | 1.5 | 0 | 0 | 114.2 | | |
| 374 | A | 29.3 | Very low | 29.6 | Very low | 84 Ų | 84 | 136.1 Ų | 136.1 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | | | cis | -167.5 | 170 | -11 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 375 | S | 31.5 | Very low | 29.9 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | -169.4 | 142.6 | 149.3 | 57.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 376 | D | 31.1 | Very low | 30.1 | Very low | 147 Ų | 147 | 143.1 Ų | 143.1 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | trans | -97.8 | -171.2 | -165.6 | -56.3 | -92.3 | 0 | 0 | 0 | 115.8 | | |
| 377 | C | 30.4 | Very low | 30.3 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | | | trans | 78.5 | 139.7 | 160.5 | -68.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 378 | D | 29.6 | Very low | 30.8 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 64% | 0.642 | 78% | 0.784 | S | S | * | * | | | cis | -163.4 | 168.3 | -17.6 | -134 | -50.1 | 0 | 0 | 0 | 113.5 | | |
| 379 | Q | 30.3 | Very low | 31.2 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | 34.2 | 123.6 | 155.3 | -80.5 | 150.9 | 76.9 | 0 | 0 | 122.6 | | |
| 380 | S | 28.8 | Very low | 31.3 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | trans | -92.3 | 166.8 | 156.7 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 381 | P | 45.1 | Very low | 31.2 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | | -150.8 | 160.4 | 107.2 | 38.1 | -21.2 | 0 | 0 | 0 | 118.4 | | |
| 382 | S | 33.8 | Very low | 31.3 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | trans | -14.1 | 152.9 | 160.5 | 60.7 | 0 | 0 | 0 | 0 | 122.7 | | |
| 383 | G | 26.6 | Very low | 31.3 | Very low | 79 Ų | 79 | 136.3 Ų | 136.3 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | | | trans | -179.4 | 61.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 384 | C | 29.2 | Very low | 32.2 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | | | trans | -34.3 | 137.4 | 178 | -71.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 385 | R | 30.4 | Very low | 32.2 | Very low | 223 Ų | 223 | 136.4 Ų | 136.4 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | | | trans | 59.3 | 127.9 | 140.7 | -61.4 | 174.1 | 179.2 | -99.6 | 4 | 120.6 | | |
| 386 | K | 31.7 | Very low | 32.2 | Very low | 201 Ų | 201 | 134.8 Ų | 134.8 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | | -170.9 | 163.9 | 104.1 | -104.2 | 167.3 | -175.1 | 175.6 | 0 | 114.7 | | |
| 387 | D | 31.6 | Very low | 32.1 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | | | trans | -81.4 | 156.5 | -171.3 | -34.6 | -105.9 | 0 | 0 | 0 | 113.5 | | |
| 388 | I | 36.6 | Very low | 32 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 89% | 0.892 | 80% | 0.801 | S | S | * | * | | | trans | -164.8 | 156.3 | 147.2 | -102.9 | 151.2 | 0 | 0 | 0 | 109.7 | | |
| 389 | K | 33.9 | Very low | 31.9 | Very low | 190 Ų | 190 | 138 Ų | 138 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | | | trans | -101.8 | 179.7 | -175.2 | -70.1 | -175.5 | 173.8 | -174.6 | 0 | 112.8 | | |
| 390 | S | 30.4 | Very low | 32 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | | | trans | 73.8 | 144.6 | 164.7 | 67.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 391 | D | 29.6 | Very low | 32 | Very low | 165 Ų | 165 | 146.3 Ų | 146.3 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | | | cis | -158 | 146.7 | -24.5 | -97.5 | -35.1 | 0 | 0 | 0 | 107.6 | | |
| 392 | G | 31.2 | Very low | 31.3 | Very low | 77 Ų | 77 | 146 Ų | 146 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | | | trans | 162.9 | 97.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 393 | C | 29.7 | Very low | 31.3 | Very low | 129 Ų | 129 | 146.4 Ų | 146.4 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | | | trans | -121.2 | 170.7 | 161.1 | -82.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 394 | P | 45.7 | Very low | 31.4 | Very low | 115 Ų | 115 | 152.1 Ų | 152.1 | 75% | 0.747 | 82% | 0.818 | S | S | * | * | | | cis | -131.8 | 170.5 | 2.7 | 40.8 | -26.5 | 0 | 0 | 0 | 115.2 | | |
| 395 | T | 29.7 | Very low | 31.6 | Very low | 143 Ų | 143 | 152 Ų | 152 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | | | trans | -158 | 147.6 | 134.4 | 12.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 396 | A | 30.7 | Very low | 31.6 | Very low | 82 Ų | 82 | 150.3 Ų | 150.3 | 68% | 0.678 | 82% | 0.82 | S | S | * | * | | | trans | -7.8 | 121.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 397 | E | 30.2 | Very low | 31.6 | Very low | 191 Ų | 191 | 149.4 Ų | 149.4 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | | | | 70.5 | 144.7 | 83.2 | -71.9 | 179.2 | -176.9 | 0 | 0 | 114.2 | | |
| 398 | C | 27.7 | Very low | 31.7 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | cis | -141.9 | 155.8 | 5.6 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 399 | N | 27.2 | Very low | 31.5 | Very low | 139 Ų | 139 | 147.5 Ų | 147.5 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | | | trans | -143.7 | 149.9 | 161.4 | -156.8 | -2.5 | 0 | 0 | 0 | 111.5 | | |
| 400 | R | 31.6 | Very low | 31.6 | Very low | 225 Ų | 225 | 146.8 Ų | 146.8 | 85% | 0.849 | 81% | 0.814 | S | S | * | * | | | trans | -76.8 | 145.1 | -159.5 | -63.9 | 172.8 | -71.3 | -157.7 | -1.6 | 113.8 | | |
| 401 | Y | 28.5 | Very low | 31.5 | Very low | 227 Ų | 227 | 149.6 Ų | 149.6 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | | | trans | -129.5 | 140.3 | 159.1 | -91.1 | -84.6 | 0 | 0 | 0 | 110.3 | | |
| 402 | S | 31.3 | Very low | 31.6 | Very low | 112 Ų | 112 | 148 Ų | 148 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -74 | 144.6 | 173.4 | -49.7 | 0 | 0 | 0 | 0 | 111 | | |
| 403 | P | 34.3 | Very low | 31.7 | Very low | 127 Ų | 127 | 154 Ų | 154 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 151.5 | 175.5 | 31 | -34.9 | 0 | 0 | 0 | 111.9 | | |
| 404 | K | 27.3 | Very low | 31.7 | Very low | 199 Ų | 199 | 151.8 Ų | 151.8 | 87% | 0.865 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 144.5 | 150.7 | -64.4 | 173.1 | 178.9 | 174.5 | 0 | 107.2 | | |
| 405 | S | 35 | Very low | 30.9 | Very low | 114 Ų | 114 | 158.4 Ų | 158.4 | 80% | 0.797 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 129.6 | 143.2 | 40.4 | 0 | 0 | 0 | 0 | 106.5 | | |
| 406 | E | 29.4 | Very low | 31 | Very low | 188 Ų | 188 | 158.5 Ų | 158.5 | 88% | 0.879 | 84% | 0.836 | S | S | * | * | | | cis | 79.6 | 131.6 | 37.4 | -158.3 | 153.5 | -118 | 0 | 0 | 112.4 | | |
| 407 | E | 31.1 | Very low | 31.1 | Very low | 182 Ų | 182 | 160 Ų | 160 | 85% | 0.85 | 84% | 0.841 | S | S | * | * | | | trans | -121.6 | 114.6 | -149.5 | -178.1 | 175.7 | -177 | 0 | 0 | 109.9 | | |
| 408 | V | 34.5 | Very low | 31.2 | Very low | 126 Ų | 126 | 154.3 Ų | 154.3 | 76% | 0.764 | 83% | 0.834 | S | S | * | * | | | trans | -100.2 | 137.5 | -180 | 178.2 | 0 | 0 | 0 | 0 | 110.2 | E410 | V408-E410 HydrophobicContact CG1-CG 4.26Š|
| 409 | N | 32.5 | Very low | 31.5 | Very low | 146 Ų | 146 | 158.5 Ų | 158.5 | 78% | 0.781 | 84% | 0.839 | S | S | * | * | | | trans | -122.1 | 68.1 | -157.3 | 60.3 | -33.6 | 0 | 0 | 0 | 113.3 | | |
| 410 | E | 36 | Very low | 31.8 | Very low | 175 Ų | 175 | 161.3 Ų | 161.3 | 82% | 0.818 | 84% | 0.844 | S | S | * | * | | | trans | -104.4 | 138.3 | -177.9 | -61.6 | -158.9 | 146.8 | 0 | 0 | 114.6 | V408 C412 | V408-E410 HydrophobicContact CG1-CG 4.26Å; E410-C412 PolarHBondContact O-N 2.96Å |
| 411 | N | 28.2 | Very low | 32 | Very low | 161 Ų | 161 | 159.7 Ų | 159.7 | 86% | 0.861 | 85% | 0.846 | S | S | * | * | | | trans | -83.4 | 112.2 | -171.2 | -73.6 | -41.5 | 0 | 0 | 0 | 112.6 | | |
| 412 | C | 32.2 | Very low | 32.3 | Very low | 132 Ų | 132 | 157 Ų | 157 | 89% | 0.892 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 126.2 | 158.8 | -80.7 | 0 | 0 | 0 | 0 | 111.2 | E410 | E410-C412 PolarHBondContact O-N 2.96Š|
| 413 | K | 33.7 | Very low | 32.4 | Very low | 201 Ų | 201 | 157.9 Ų | 157.9 | 87% | 0.874 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 140.2 | 179.2 | -65.7 | 169.7 | -175.7 | 168 | 0 | 109.5 | W415 | K413-W415 PolarHBondContact O-N 3.45Š|
| 414 | G | 28.9 | Very low | 32.6 | Very low | 83 Ų | 83 | 156.9 Ų | 156.9 | 86% | 0.856 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 126 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 415 | W | 28.9 | Very low | 33.1 | Very low | 255 Ų | 255 | 154.4 Ų | 154.4 | 97% | 0.966 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 128.3 | 155.7 | -98.7 | -45.8 | 0 | 0 | 0 | 110 | K413 | K413-W415 PolarHBondContact O-N 3.45Š|
| 416 | T | 31.7 | Very low | 33.3 | Very low | 145 Ų | 145 | 156.2 Ų | 156.2 | 89% | 0.89 | 84% | 0.837 | S | S | * | * | | | trans | -90 | 111.5 | 161.7 | 49.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 417 | S | 34 | Very low | 33.9 | Very low | 113 Ų | 113 | 152.3 Ų | 152.3 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | | | trans | -126.8 | 150.9 | 165.9 | -165.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 418 | G | 31.5 | Very low | 34.1 | Very low | 72 Ų | 72 | 150.4 Ų | 150.4 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 130.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 419 | K | 33 | Very low | 34.4 | Very low | 206 Ų | 206 | 151.1 Ų | 151.1 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 122.9 | 167.1 | -59.3 | -176.4 | -179.8 | -169.2 | 0 | 108.8 | | |
| 420 | K | 35.2 | Very low | 34.4 | Very low | 198 Ų | 198 | 154.2 Ų | 154.2 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 129.5 | 154.8 | -70.5 | -171.1 | 175.3 | -173.6 | 0 | 107.2 | L422 | K420-L422 PolarHBondContact O-N 3.49Š|
| 421 | E | 34.5 | Very low | 34.5 | Very low | 192 Ų | 192 | 151.1 Ų | 151.1 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | | | trans | -74.3 | 112.1 | 175.7 | -86.2 | 170.7 | 122.2 | 0 | 0 | 109.3 | T423 | E421-T423 PolarHBondContact O-N 2.88Š|
| 422 | L | 36 | Very low | 35.3 | Very low | 171 Ų | 171 | 151.6 Ų | 151.6 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | | | trans | -87.9 | 98.1 | 166.7 | -82.4 | 162.2 | 0 | 0 | 0 | 108.3 | K420 S424 | K420-L422 PolarHBondContact O-N 3.49Å; L422-S424 PolarHBondContact O-N 3.47Å |
| 423 | T | 33 | Very low | 35.6 | Very low | 130 Ų | 130 | 152.5 Ų | 152.5 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | | | trans | -69.1 | 106.2 | 168.2 | 46.5 | 0 | 0 | 0 | 0 | 108.8 | E421 D425 | E421-T423 PolarHBondContact O-N 2.88Å; T423-D425 PolarHBondContact O-N 3.33Å; T423-D425 VanDerWaalsContact O-N 3.1Å |
| 424 | S | 37.7 | Very low | 36.4 | Very low | 105 Ų | 105 | 150.7 Ų | 150.7 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | | | trans | -69.5 | 104.1 | 178.3 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | L422 | L422-S424 PolarHBondContact O-N 3.47Š|
| 425 | D | 37.6 | Very low | 37.1 | Very low | 147 Ų | 147 | 154.9 Ų | 154.9 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | | | trans | -102.9 | 93.4 | 172.9 | -136.6 | -3.9 | 0 | 0 | 0 | 107.7 | T423 T427 | T423-D425 PolarHBondContact O-N 3.33Å; T423-D425 VanDerWaalsContact O-N 3.1Å; D425-T427 PolarHBondContact O-N 3.5Å |
| 426 | M | 39 | Very low | 37.6 | Very low | 152 Ų | 152 | 149.5 Ų | 149.5 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | | | trans | -78.8 | 82.6 | -174.7 | -79.4 | -106.1 | 64.6 | 0 | 0 | 111.5 | | |
| 427 | T | 42.8 | Very low | 37.9 | Very low | 106 Ų | 106 | 150.3 Ų | 150.3 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | | | trans | -83.7 | 116.9 | 167.3 | 43.9 | 0 | 0 | 0 | 0 | 110.6 | D425 I429 | D425-T427 PolarHBondContact O-N 3.5Å; T427-I429 PolarHBondContact O-N 2.86Å; T427-I429 VanDerWaalsContact O-N 3.16Å |
| 428 | L | 35 | Very low | 38.3 | Very low | 142 Ų | 142 | 150.6 Ų | 150.6 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | -76.6 | 100.3 | 175.2 | -67.5 | 174.4 | 0 | 0 | 0 | 110.3 | | |
| 429 | I | 40.6 | Very low | 38.7 | Very low | 141 Ų | 141 | 152.2 Ų | 152.2 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | | | trans | -81.4 | 119 | 166.4 | -59 | 176.9 | 0 | 0 | 0 | 107.7 | T427 S431 | T427-I429 PolarHBondContact O-N 2.86Å; T427-I429 VanDerWaalsContact O-N 3.16Å; I429-S431 PolarHBondContact O-N 3.26Å |
| 430 | W | 32.9 | Very low | 39.1 | Very low | 212 Ų | 212 | 148.6 Ų | 148.6 | 80% | 0.803 | 78% | 0.777 | S | S | * | * | | | trans | -87.7 | 97 | 171.6 | -73.3 | 66.3 | 0 | 0 | 0 | 108.5 | E432 | W430-E432 PolarHBondContact O-N 2.96Š|
| 431 | S | 37.4 | Very low | 39.1 | Very low | 110 Ų | 110 | 145.8 Ų | 145.8 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | -89.5 | 86.6 | 173.9 | -62.3 | 0 | 0 | 0 | 0 | 110.2 | I429 | I429-S431 PolarHBondContact O-N 3.26Š|
| 432 | E | 46.2 | Very low | 39.3 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | trans | -86.6 | 100.3 | 164.8 | -70.4 | -178.5 | 172.9 | 0 | 0 | 109.5 | W430 | W430-E432 PolarHBondContact O-N 2.96Š|
| 433 | Q | 38.1 | Very low | 39.1 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | | 174 | 138.5 | 126.9 | -172.3 | 54.1 | 49.4 | 0 | 0 | 110.1 | E435 | Q433-E435 WeakPolarHBondContact CG-OE1 3.36Š|
| 434 | E | 49.7 | Very low | 39.6 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | | | trans | -110.4 | 135.4 | 179.1 | 161.4 | -172.3 | -129.3 | 0 | 0 | 109.2 | | |
| 435 | E | 44.3 | Very low | 39.5 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | trans | -170.5 | 144.7 | 154.7 | 40.5 | -144.1 | 141.5 | 0 | 0 | 112.4 | Q433 | Q433-E435 WeakPolarHBondContact CG-OE1 3.36Š|
| 436 | D | 40.3 | Very low | 39.4 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | trans | -79.8 | 148.1 | -166.6 | -61.8 | -92.6 | 0 | 0 | 0 | 116 | V438 | D436-V438 VanDerWaalsContact C-N 3.27Å; D436-V438 HydrophobicContact CB-CG2 3.93Å; D436-V438 PolarHBondContact O-N 3.38Å |
| 437 | D | 36.7 | Very low | 39.1 | Very low | 162 Ų | 162 | 135 Ų | 135 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | | | trans | -79.2 | 69.4 | 169.9 | -166.4 | 6.5 | 0 | 0 | 0 | 111.8 | | |
| 438 | V | 42.4 | Very low | 38.9 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | | | trans | -88.7 | 109.5 | 174.1 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | D436 | D436-V438 VanDerWaalsContact C-N 3.27Å; D436-V438 HydrophobicContact CB-CG2 3.93Å; D436-V438 PolarHBondContact O-N 3.38Å |
| 439 | T | 41 | Very low | 38.9 | Very low | 106 Ų | 106 | 138 Ų | 138 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | | | trans | -54.5 | 129.8 | 178.7 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | V441 | T439-V441 PolarHBondContact O-N 3.35Š|
| 440 | P | 40.2 | Very low | 38.6 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | | | trans | -79.7 | 88 | -173.1 | 31.1 | -35.9 | 0 | 0 | 0 | 112.9 | | |
| 441 | V | 36.8 | Very low | 38.7 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | | | trans | -76.1 | 120.9 | 160 | 176.1 | 0 | 0 | 0 | 0 | 108.5 | T439 | T439-V441 PolarHBondContact O-N 3.35Š|
| 442 | G | 38.4 | Very low | 38.7 | Very low | 73 Ų | 73 | 142.9 Ų | 142.9 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | trans | -76.2 | 151.5 | -159.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 443 | S | 31.6 | Very low | 38.1 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | trans | -135.8 | 161.9 | 157 | 64.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 444 | P | 42.6 | Very low | 38 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 143.6 | -146.2 | 31.5 | -36.4 | 0 | 0 | 0 | 115.7 | | |
| 445 | S | 36 | Very low | 37.3 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 146.1 | 170.6 | -48.3 | 0 | 0 | 0 | 0 | 112.4 | V447 | S445-V447 PolarHBondContact O-N 3.48Š|
| 446 | P | 35.6 | Very low | 36.9 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 123.2 | 176.5 | 28.3 | -33.9 | 0 | 0 | 0 | 111.3 | | |
| 447 | V | 33.4 | Very low | 36.5 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 117.5 | 179.5 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | S445 | S445-V447 PolarHBondContact O-N 3.48Š|
| 448 | F | 37.6 | Very low | 36.2 | Very low | 184 Ų | 184 | 130.9 Ų | 130.9 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -92 | 144.5 | 156.8 | -78.5 | -84.6 | 0 | 0 | 0 | 109.9 | E450 | F448-E450 PolarHBondContact O-N 2.96Š|
| 449 | P | 35.1 | Very low | 35.7 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 119 | -172.9 | -6.9 | 25.2 | 0 | 0 | 0 | 111.5 | | |
| 450 | E | 34.6 | Very low | 35.3 | Very low | 187 Ų | 187 | 133.5 Ų | 133.5 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 123.9 | 168.5 | -165.7 | 174.1 | 179.6 | 0 | 0 | 109.9 | F448 | F448-E450 PolarHBondContact O-N 2.96Š|
| 451 | E | 34.6 | Very low | 34.8 | Very low | 191 Ų | 191 | 134.8 Ų | 134.8 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 133.8 | -175.7 | -168.7 | -178.9 | 162.9 | 0 | 0 | 111.4 | | |
| 452 | K | 37.4 | Very low | 34.3 | Very low | 189 Ų | 189 | 131.4 Ų | 131.4 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | | | trans | -127.6 | 110.7 | -167.4 | -157.1 | 169.3 | -166.7 | 166.4 | 0 | 112.1 | | |
| 453 | P | 34.1 | Very low | 33.9 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | trans | -68 | 136.9 | 173.8 | 28.1 | -33.4 | 0 | 0 | 0 | 110.6 | | |
| 454 | A | 35 | Very low | 33.9 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | -84.4 | 141.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 455 | V | 34.7 | Very low | 33.8 | Very low | 138 Ų | 138 | 132.7 Ų | 132.7 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | -130.8 | 129.6 | 161.8 | -177.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 456 | P | 37.6 | Very low | 33.6 | Very low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | trans | -93.4 | 152.4 | -167.3 | 35.5 | -36.3 | 0 | 0 | 0 | 115 | | |
| 457 | A | 30.5 | Very low | 33.3 | Very low | 83 Ų | 83 | 139.9 Ų | 139.9 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | | | trans | 62.5 | 104 | 140.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 458 | D | 31.3 | Very low | 33 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | | | | 92.7 | 133.7 | 110 | -80.1 | 15.9 | 0 | 0 | 0 | 124.1 | | |
| 459 | N | 30.9 | Very low | 32.6 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 67% | 0.668 | 79% | 0.785 | S | S | * | * | | | trans | 82.2 | 88 | 140.5 | -68.2 | -37.2 | 0 | 0 | 0 | 121.8 | | |
| 460 | Q | 33 | Very low | 32.2 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | | | | 80.7 | 134.6 | 107.8 | -71.2 | -98.5 | 57.2 | 0 | 0 | 121.2 | | |
| 461 | L | 30.8 | Very low | 32 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | 66.6 | 118.4 | 148.5 | -64.7 | 163.4 | 0 | 0 | 0 | 120.6 | | |
| 462 | G | 26.3 | Very low | 31.8 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | | 123.8 | 110.9 | 117.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 463 | S | 29.7 | Very low | 31.5 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | | | trans | 59 | 113.8 | 138.4 | -54.2 | 0 | 0 | 0 | 0 | 121.8 | | |
| 464 | S | 30.9 | Very low | 31.3 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | | | trans | -63.8 | 145.3 | 147.2 | -164.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 465 | P | 41.7 | Very low | 31.5 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | | | | -157.7 | 152.3 | 72.9 | 40.1 | -18.3 | 0 | 0 | 0 | 120.5 | | |
| 466 | K | 30.1 | Very low | 31 | Very low | 194 Ų | 194 | 128.6 Ų | 128.6 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | | | trans | 62.4 | 142.2 | 140.5 | -67 | 173.7 | -179.2 | 177.5 | 0 | 123 | | |
| 467 | H | 29.3 | Very low | 30.5 | Very low | 176 Ų | 176 | 133.4 Ų | 133.4 | 82% | 0.815 | 76% | 0.757 | S | S | * | * | | | trans | 98.4 | 119.6 | 138.9 | -107.8 | -127.2 | 0 | 0 | 0 | 123.3 | | |
| 468 | V | 28.2 | Very low | 31.2 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 66% | 0.655 | 76% | 0.764 | S | S | * | * | | | trans | 70.3 | 100.4 | 138.1 | 171.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 469 | L | 28.9 | Very low | 31.1 | Very low | 156 Ų | 156 | 134 Ų | 134 | 82% | 0.817 | 76% | 0.756 | S | S | * | * | | | | 50.9 | 151.7 | 105.3 | -107.5 | 173.8 | 0 | 0 | 0 | 123.1 | | |
| 470 | V | 26 | Very low | 30.9 | Very low | 123 Ų | 123 | 138 Ų | 138 | 75% | 0.745 | 76% | 0.762 | S | S | * | * | | | trans | 82.3 | 95.9 | 167.4 | -179.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 471 | A | 30.4 | Very low | 31 | Very low | 86 Ų | 86 | 135.5 Ų | 135.5 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | | | | 91 | 154.2 | 83.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 472 | S | 30.6 | Very low | 30.9 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | cis | -168.1 | 147.9 | -13.5 | -102.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 473 | Q | 31.7 | Very low | 31.3 | Very low | 198 Ų | 198 | 140.1 Ų | 140.1 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | | | trans | -178.3 | 113 | 138.6 | -103.3 | 151.5 | 113.2 | 0 | 0 | 114 | | |
| 474 | E | 29.8 | Very low | 31.7 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | | | trans | -65.3 | 164.5 | 149.9 | -85.5 | -69.2 | 131.5 | 0 | 0 | 109.9 | S476 | E474-S476 PolarHBondContact OE2-N 3.4Š|
| 475 | P | 39.6 | Very low | 31.6 | Very low | 112 Ų | 112 | 143 Ų | 143 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | cis | -151.9 | 170.1 | 41.9 | 43.9 | -23.4 | 0 | 0 | 0 | 120.9 | | |
| 476 | S | 24.4 | Very low | 31 | Very low | 100 Ų | 100 | 147.5 Ų | 147.5 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | | 120.2 | 132 | 126.1 | 71.9 | 0 | 0 | 0 | 0 | 118.2 | E474 | E474-S476 PolarHBondContact OE2-N 3.4Š|
| 477 | W | 27.4 | Very low | 30.9 | Very low | 217 Ų | 217 | 144.9 Ų | 144.9 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | trans | -92.6 | 177 | 172.6 | -59.9 | 36.2 | 0 | 0 | 0 | 109.7 | D479 | W477-D479 HydrophobicContact CE3-CB 4.11Å; W477-D479 HydrophobicContact CZ3-CB 4.32Å |
| 478 | P | 43.9 | Very low | 30.9 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | | | | -138.4 | 140.8 | 84.5 | 35.4 | -21.3 | 0 | 0 | 0 | 115.1 | | |
| 479 | D | 30 | Very low | 31.2 | Very low | 114 Ų | 114 | 142 Ų | 142 | 61% | 0.61 | 78% | 0.776 | S | S | * | * | | | trans | -78.5 | 149.3 | 152 | 169.1 | 41.9 | 0 | 0 | 0 | 109.4 | W477 | W477-D479 HydrophobicContact CE3-CB 4.11Å; W477-D479 HydrophobicContact CZ3-CB 4.32Å |
| 480 | W | 25.9 | Very low | 31.3 | Very low | 208 Ų | 208 | 143.7 Ų | 143.7 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | | | trans | -147.9 | 118.3 | 152.2 | 86.5 | -49 | 0 | 0 | 0 | 112 | L482 | W480-L482 HydrophobicContact CE3-CB 4.36Å; W480-L482 HydrophobicContact CE3-CD1 3.82Å; W480-L482 HydrophobicContact CE3-CG 4.49Å; W480-L482 HydrophobicContact CZ3-CB 4.25Å; W480-L482 HydrophobicContact CZ3-CD1 3.53Å; W480-L482 HydrophobicContact CZ3-CG 4.44Å |
| 481 | S | 36 | Very low | 31.5 | Very low | 102 Ų | 102 | 145.6 Ų | 145.6 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | | | trans | -88.3 | 139.6 | 160.2 | -72 | 0 | 0 | 0 | 0 | 110.3 | | |
| 482 | L | 28.2 | Very low | 32.3 | Very low | 132 Ų | 132 | 146.6 Ų | 146.6 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | trans | -151.6 | 124.4 | 160.2 | -110.1 | 170.7 | 0 | 0 | 0 | 113.5 | W480 | W480-L482 HydrophobicContact CE3-CB 4.36Å; W480-L482 HydrophobicContact CE3-CD1 3.82Å; W480-L482 HydrophobicContact CE3-CG 4.49Å; W480-L482 HydrophobicContact CZ3-CB 4.25Å; W480-L482 HydrophobicContact CZ3-CD1 3.53Å; W480-L482 HydrophobicContact CZ3-CG 4.44Å |
| 483 | K | 33.8 | Very low | 32.2 | Very low | 190 Ų | 190 | 148.1 Ų | 148.1 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | | | trans | -81.1 | 152.9 | 153.3 | -62.1 | 171.5 | 178.7 | 171.9 | 0 | 107.3 | | |
| 484 | P | 39.4 | Very low | 32 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | | | | -159 | 176.7 | 103.9 | 35.2 | -13.8 | 0 | 0 | 0 | 118.1 | | |
| 485 | Q | 28.7 | Very low | 32.1 | Very low | 190 Ų | 190 | 140.4 Ų | 140.4 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | | | trans | 99.4 | 156.1 | 151.4 | -57.5 | -144 | -1.1 | 0 | 0 | 120.7 | | |
| 486 | K | 29.4 | Very low | 31.7 | Very low | 198 Ų | 198 | 141.9 Ų | 141.9 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | | | trans | -115.6 | 155.1 | -171.2 | -63.8 | 171.2 | 174.5 | 175 | 0 | 109.7 | | |
| 487 | C | 26.3 | Very low | 32 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 94% | 0.939 | 79% | 0.785 | S | S | * | * | | | trans | -139.3 | 163.9 | 143.6 | -95.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 488 | S | 29.8 | Very low | 32.1 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | -139.9 | 129.2 | -170 | 177.3 | 0 | 0 | 0 | 0 | 111 | | |
| 489 | S | 34 | Very low | 31.3 | Very low | 107 Ų | 107 | 143 Ų | 143 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | -159 | 90.6 | 169.6 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 490 | Q | 31.3 | Very low | 32.3 | Very low | 191 Ų | 191 | 142.6 Ų | 142.6 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | | | trans | 66.9 | 134.5 | 138.8 | -47.8 | -166.3 | 36.6 | 0 | 0 | 121.9 | | |
| 491 | L | 30.3 | Very low | 32.3 | Very low | 163 Ų | 163 | 140 Ų | 140 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | | | trans | -84.6 | -177.3 | 162.1 | -91.6 | 86.8 | 0 | 0 | 0 | 110.1 | | |
| 492 | P | 48 | Very low | 31.9 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | | | cis | -118.7 | -173.7 | 1.6 | 34.2 | -13.4 | 0 | 0 | 0 | 112 | | |
| 493 | T | 27.6 | Very low | 32 | Very low | 132 Ų | 132 | 145 Ų | 145 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | cis | -163.9 | 169.5 | 39.9 | -20.5 | 0 | 0 | 0 | 0 | 107.2 | | |
| 494 | S | 29.1 | Very low | 31.9 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | cis | -149.4 | -131.4 | 18.9 | 69.7 | 0 | 0 | 0 | 0 | 114 | | |
| 495 | A | 31.8 | Very low | 31.4 | Very low | 77 Ų | 77 | 145 Ų | 145 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | | | trans | -113.8 | 167.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 496 | L | 31 | Very low | 31.6 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | | | cis | -138.4 | 147.4 | 30.7 | -81.7 | 161.9 | 0 | 0 | 0 | 114.4 | | |
| 497 | Q | 29.7 | Very low | 31.7 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | 28.8 | 137.6 | 138.9 | -68 | 171 | -21.5 | 0 | 0 | 120.6 | | |
| 498 | S | 30.9 | Very low | 32 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | cis | -164.5 | 144.6 | 1 | 44.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 499 | H | 26.3 | Very low | 32 | Very low | 185 Ų | 185 | 147.2 Ų | 147.2 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | trans | -95 | -165.7 | 167.6 | -61 | -68.5 | 0 | 0 | 0 | 111.1 | | |
| 500 | P | 50.5 | Low | 31.8 | Very low | 105 Ų | 105 | 146.2 Ų | 146.2 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | | | | -120.9 | -171.5 | -72.9 | 36 | -18.2 | 0 | 0 | 0 | 110.6 | | |
| 501 | L | 26.8 | Very low | 31.9 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | | | | -171.8 | 124.9 | 84.7 | -82.6 | 166.9 | 0 | 0 | 0 | 106.9 | | |
| 502 | S | 28.1 | Very low | 32.3 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | | 70.1 | 102.2 | 76.9 | -167.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 503 | R | 30.3 | Very low | 31.5 | Very low | 228 Ų | 228 | 144 Ų | 144 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | -142.8 | 137.5 | 134.1 | -174 | 168.3 | 175.6 | 174.8 | -1.9 | 109.5 | E505 | R503-E505 IonicContact NH2-OE2 3.78Š|
| 504 | Q | 31.2 | Very low | 32.2 | Very low | 153 Ų | 153 | 149.4 Ų | 149.4 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | | | trans | -95.4 | 146.8 | -178.8 | 175.2 | -175.2 | -18.1 | 0 | 0 | 109.9 | | |
| 505 | E | 29 | Very low | 32.4 | Very low | 149 Ų | 149 | 146.9 Ų | 146.9 | 70% | 0.696 | 78% | 0.777 | S | S | * | * | | | | 173.1 | 119.2 | 129.9 | -90.6 | 155.4 | 165.2 | 0 | 0 | 111.8 | R503 | R503-E505 IonicContact NH2-OE2 3.78Š|
| 506 | D | 31.4 | Very low | 32.5 | Very low | 128 Ų | 128 | 151.4 Ų | 151.4 | 68% | 0.684 | 79% | 0.785 | S | S | * | * | | | trans | 34.5 | 112.8 | 153.1 | -51.5 | -28.3 | 0 | 0 | 0 | 123 | | |
| 507 | V | 32.4 | Very low | 33.2 | Very low | 147 Ų | 147 | 150.7 Ų | 150.7 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | | | trans | -128.5 | 129 | 132.3 | -179.8 | 0 | 0 | 0 | 0 | 107.7 | R509 | V507-R509 PolarHBondContact O-N 3Š|
| 508 | H | 32.5 | Very low | 34.1 | Very low | 174 Ų | 174 | 147.5 Ų | 147.5 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | | | trans | -67.1 | 117.7 | -177.4 | -71.5 | -85.9 | 0 | 0 | 0 | 111.8 | A510 | H508-A510 PolarHBondContact O-N 3.42Š|
| 509 | R | 30.6 | Very low | 34.8 | Very low | 241 Ų | 241 | 149 Ų | 149 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | | | trans | -70.1 | 97 | 161.5 | 174.9 | 178.8 | -85.3 | -168.8 | -7.2 | 108.6 | V507 | V507-R509 PolarHBondContact O-N 3Š|
| 510 | A | 29.8 | Very low | 36 | Very low | 87 Ų | 87 | 150.6 Ų | 150.6 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | | | trans | -63.5 | 132.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | H508 | H508-A510 PolarHBondContact O-N 3.42Š|
| 511 | S | 32.3 | Very low | 36.4 | Very low | 95 Ų | 95 | 152.3 Ų | 152.3 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | | | trans | -67.5 | 146.3 | 165.4 | -61.9 | 0 | 0 | 0 | 0 | 109.4 | Q513 | S511-Q513 PolarHBondContact O-N 3.05Š|
| 512 | P | 38.3 | Very low | 38.7 | Very low | 132 Ų | 132 | 149.1 Ų | 149.1 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | | | trans | -62.2 | 109.1 | 165.9 | 27.3 | -32.4 | 0 | 0 | 0 | 108.1 | | |
| 513 | Q | 32.1 | Very low | 40.7 | Very low | 186 Ų | 186 | 146.5 Ų | 146.5 | 87% | 0.869 | 75% | 0.749 | S | S | * | * | | | trans | -70.3 | 139.9 | 170.2 | -73.7 | -159.4 | -13.4 | 0 | 0 | 109.2 | S511 G515 | S511-Q513 PolarHBondContact O-N 3.05Å; Q513-G515 PolarHBondContact O-N 3.4Å |
| 514 | R | 43.1 | Very low | 42.5 | Very low | 245 Ų | 245 | 140.2 Ų | 140.2 | 93% | 0.925 | 73% | 0.729 | S | S | * | * | | | trans | -68.3 | 97.2 | 171.7 | 176 | -168.1 | -66.4 | -110.6 | -0.9 | 108 | | |
| 515 | G | 32.4 | Very low | 44.3 | Very low | 63 Ų | 63 | 140.6 Ų | 140.6 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | | | trans | -66.2 | 157.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q513 | Q513-G515 PolarHBondContact O-N 3.4Š|
| 516 | E | 33.8 | Very low | 46.1 | Very low | 172 Ų | 172 | 139.9 Ų | 139.9 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | | | trans | -69.8 | 157.7 | 170 | -73.9 | 175.2 | 90.4 | 0 | 0 | 111.2 | S518 | E516-S518 PolarHBondContact O-N 3.49Š|
| 517 | P | 46.3 | Very low | 47.9 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 83% | 0.825 | 73% | 0.732 | S | S | * | * | | | trans | -77.2 | 57.1 | 178.8 | 34.8 | -37.1 | 0 | 0 | 0 | 111.8 | D519 | P517-D519 VanDerWaalsContact C-N 3.29Å; P517-D519 PolarHBondContact O-N 3.29Å |
| 518 | S | 47 | Very low | 49.7 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | | | trans | -93.3 | 47.1 | 179.7 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | E516 | E516-S518 PolarHBondContact O-N 3.49Š|
| 519 | D | 45.6 | Very low | 51.8 | Low | 142 Ų | 142 | 136.4 Ų | 136.4 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | | | | -154.8 | 145.2 | 123.1 | -152.3 | -15.6 | 0 | 0 | 0 | 109.7 | P517 Q521 | P517-D519 VanDerWaalsContact C-N 3.29Å; P517-D519 PolarHBondContact O-N 3.29Å; D519-Q521 PolarHBondContact O-N 3.43Å |
| 520 | R | 51.6 | Low | 54 | Low | 220 Ų | 220 | 128.6 Ų | 128.6 | 83% | 0.83 | 68% | 0.678 | S | S | * | * | | | trans | -87.3 | 94.3 | 163 | -77.7 | -172.6 | 177.4 | -132.3 | 2.7 | 106.1 | T522 | R520-T522 VanDerWaalsContact C-N 3.3Å; R520-T522 WeakPolarHBondContact O-CA 3.46Å; R520-T522 PolarHBondContact O-N 3.47Å; R520-T522 PolarHBondContact O-OG1 3.18Å |
| 521 | Q | 60.4 | Low | 56.4 | Low | 141 Ų | 141 | 133.5 Ų | 133.5 | 66% | 0.659 | 68% | 0.683 | S | S | * | * | | | trans | -44.2 | 94.7 | 174.6 | -174.1 | 85.2 | 49.7 | 0 | 0 | 109.9 | D519 V523 | D519-Q521 PolarHBondContact O-N 3.43Å; Q521-V523 HydrophobicContact CG-CG2 4.45Å; Q521-V523 PolarHBondContact O-N 2.78Å; Q521-V523 VanDerWaalsContact O-N 3.15Å |
| 522 | T | 75.5 | Confident | 58.8 | Low | 86 Ų | 86 | 130.2 Ų | 130.2 | 53% | 0.528 | 66% | 0.66 | S | S | . | * | | | trans | -89.1 | 94 | -170.6 | -68.6 | 0 | 0 | 0 | 0 | 105.9 | R520 H524 | R520-T522 VanDerWaalsContact C-N 3.3Å; R520-T522 WeakPolarHBondContact O-CA 3.46Å; R520-T522 PolarHBondContact O-N 3.47Å; R520-T522 PolarHBondContact O-OG1 3.18Å; T522-H524 PolarHBondContact O-CD2 2.95Å; T522-H524 PolarHBondContact O-N 3.27Å; T522-H524 VanDerWaalsContact O-N 3.11Å; T522-H524 PolarHBondContact O-NE2 3.36Å |
| 523 | V | 68.8 | Low | 61.1 | Low | 54 Ų | 54 | 126.7 Ų | 126.7 | 33% | 0.327 | 64% | 0.637 | S | S | . | * | | | trans | -69.1 | 108.6 | -174.8 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | Q521 Y525 P538 | Q521-V523 HydrophobicContact CG-CG2 4.45Å; Q521-V523 PolarHBondContact O-N 2.78Å; Q521-V523 VanDerWaalsContact O-N 3.15Å; V523-Y525 HydrophobicContact CB-CD2 4.44Å; V523-Y525 HydrophobicContact CB-CE2 3.9Å; V523-Y525 HydrophobicContact CG1-CD2 4Å; V523-Y525 HydrophobicContact CG1-CE1 4.37Å; V523-Y525 HydrophobicContact CG1-CE2 3.37Å; V523-Y525 WeakPolarHBondContact O-CD2 3.42Å; V523-Y525 PolarHBondContact O-N 3.36Å; V523-Y525 VanDerWaalsContact O-N 3.15Å; V523-P538 HydrophobicContact CG1-CB 3.55Å; V523-P538 HydrophobicContact CG1-CG 3.49Å; V523-P538 VanDerWaalsContact CG1-CG 3.49Å |
| 524 | H | 68.5 | Low | 63.5 | Low | 97 Ų | 97 | 130.2 Ų | 130.2 | 45% | 0.449 | 64% | 0.643 | S | S | . | * | | | trans | -84.1 | 96.3 | -173.1 | -70.3 | -81.4 | 0 | 0 | 0 | 110.5 | T522 Y526 D539 | T522-H524 PolarHBondContact O-CD2 2.95Å; T522-H524 PolarHBondContact O-N 3.27Å; T522-H524 VanDerWaalsContact O-N 3.11Å; T522-H524 PolarHBondContact O-NE2 3.36Å; H524-Y526 HydrophobicContact CB-CD2 4.29Å; H524-Y526 HydrophobicContact CB-CE2 3.5Å; H524-Y526 WeakPolarHBondContact O-CD2 3.42Å; H524-Y526 WeakPolarHBondContact O-CE2 3.28Å; H524-D539 PolarHBondContact N-OD1 3.36Å |
| 525 | Y | 69 | Low | 65.3 | Low | 160 Ų | 160 | 122.5 Ų | 122.5 | 63% | 0.627 | 64% | 0.64 | S | S | * | * | | | trans | -84.4 | 114.6 | 169.7 | -66.1 | -81.5 | 0 | 0 | 0 | 110.1 | V523 P538 | V523-Y525 HydrophobicContact CB-CD2 4.44Å; V523-Y525 HydrophobicContact CB-CE2 3.9Å; V523-Y525 HydrophobicContact CG1-CD2 4Å; V523-Y525 HydrophobicContact CG1-CE1 4.37Å; V523-Y525 HydrophobicContact CG1-CE2 3.37Å; V523-Y525 WeakPolarHBondContact O-CD2 3.42Å; V523-Y525 PolarHBondContact O-N 3.36Å; V523-Y525 VanDerWaalsContact O-N 3.15Å; Y525-P538 HydrophobicContact CE1-CB 4.33Å |
| 526 | Y | 66.4 | Low | 67.7 | Low | 135 Ų | 135 | 124.4 Ų | 124.4 | 53% | 0.529 | 64% | 0.635 | S | S | . | * | | | trans | -94.3 | 138.6 | 176.6 | -62.8 | -99.9 | 0 | 0 | 0 | 110.1 | H524 V529 T542 | H524-Y526 HydrophobicContact CB-CD2 4.29Å; H524-Y526 HydrophobicContact CB-CE2 3.5Å; H524-Y526 WeakPolarHBondContact O-CD2 3.42Å; H524-Y526 WeakPolarHBondContact O-CE2 3.28Å; Y526-V529 WeakPolarHBondContact O-CB 3.26Å; Y526-V529 PolarHBondContact O-N 2.9Å; Y526-T542 HydrophobicContact CD2-CG2 3.5Å; Y526-T542 VanDerWaalsContact CD2-CG2 3.5Å; Y526-T542 HydrophobicContact CE2-CG2 3.76Å; Y526-T542 HydrophobicContact CG-CG2 4.27Å |
| 527 | W | 68.5 | Low | 70.2 | Confident | 265 Ų | 265 | 119.2 Ų | 119.2 | 100% | 1.004 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | 139.5 | 177.7 | -172.8 | -110.4 | 0 | 0 | 0 | 111 | V529 | W527-V529 VanDerWaalsContact C-N 3.26Å; W527-V529 PolarHBondContact O-N 2.91Å |
| 528 | G | 70.7 | Confident | 72.1 | Confident | 71 Ų | 71 | 114.1 Ų | 114.1 | 73% | 0.732 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.4 | -11.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 529 | V | 77.3 | Confident | 73.9 | Confident | 39 Ų | 39 | 110.3 Ų | 110.3 | 24% | 0.236 | 55% | 0.55 | C | S | . | * | P | Polyproline II helix | trans | -78.8 | 126.4 | 171.5 | 177.4 | 0 | 0 | 0 | 0 | 109.3 | Y526 W527 Y541 T542 I545 | Y526-V529 WeakPolarHBondContact O-CB 3.26Å; Y526-V529 PolarHBondContact O-N 2.9Å; W527-V529 VanDerWaalsContact C-N 3.26Å; W527-V529 PolarHBondContact O-N 2.91Å; V529-Y541 HydrophobicContact CG1-CD1 4.41Å; V529-Y541 HydrophobicContact CG1-CE1 4.41Å; V529-T542 HydrophobicContact CG2-CG2 4.44Å; V529-I545 HydrophobicContact CG1-CD1 3.83Å |
| 530 | P | 77.6 | Confident | 75.9 | Confident | 77 Ų | 77 | 107.1 Ų | 107.1 | 50% | 0.5 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 155.6 | 175.5 | -27.5 | 35.7 | 0 | 0 | 0 | 113.5 | C532 Y541 | P530-C532 PolarHBondContact O-N 3.47Å; P530-Y541 WeakPolarHBondContact O-CE1 3.35Å |
| 531 | F | 78.4 | Confident | 77.7 | Confident | 190 Ų | 190 | 99.4 Ų | 99.4 | 83% | 0.833 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 124.4 | 177.3 | -68.2 | -72.6 | 0 | 0 | 0 | 111.8 | | |
| 532 | C | 84.4 | Confident | 79.1 | Confident | 26 Ų | 26 | 93.2 Ų | 93.2 | 18% | 0.176 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 129.1 | -179.6 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | P530 R534 L536 P538 Y541 | P530-C532 PolarHBondContact O-N 3.47Å; C532-R534 PolarHBondContact O-N 2.92Å; C532-L536 PolarHBondContact SG-O 3.09Å; C532-L536 VanDerWaalsContact SG-O 3.38Å; C532-P538 HydrophobicContact CB-CB 3.88Å; C532-P538 HydrophobicContact CB-CG 3.83Å; C532-Y541 HydrophobicContact CB-CD1 3.96Å; C532-Y541 HydrophobicContact CB-CG 4.31Å; C532-Y541 VanDerWaalsContact SG-CB 3.6Å |
| 533 | P | 85.6 | Confident | 79.7 | Confident | 59 Ų | 59 | 95.6 Ų | 95.6 | 38% | 0.383 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 136 | 176.3 | -26.3 | 34.6 | 0 | 0 | 0 | 112.8 | G535 L536 Y541 | P533-G535 PolarHBondContact O-N 3.25Å; P533-G535 VanDerWaalsContact O-N 3.13Å; P533-L536 HydrophobicContact CB-CD1 4.02Å; P533-L536 HydrophobicContact CB-CG 4.38Å; P533-L536 HydrophobicContact CG-CD1 4.04Å; P533-L536 PolarHBondContact O-N 3.42Å; P533-Y541 VanDerWaalsContact CD-CE2 3.45Å; P533-Y541 HydrophobicContact CG-CD2 4.42Å; P533-Y541 HydrophobicContact CG-CE2 3.94Å |
| 534 | R | 82.3 | Confident | 80.8 | Confident | 259 Ų | 259 | 97.6 Ų | 97.6 | 98% | 0.977 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 119.4 | -179.9 | -82.3 | -174.1 | -83.3 | -106.7 | -0.1 | 111.8 | C532 | C532-R534 PolarHBondContact O-N 2.92Š|
| 535 | G | 80.5 | Confident | 81.9 | Confident | 84 Ų | 84 | 95.3 Ų | 95.3 | 87% | 0.866 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.7 | -1.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P533 | P533-G535 PolarHBondContact O-N 3.25Å; P533-G535 VanDerWaalsContact O-N 3.13Å |
| 536 | L | 83.6 | Confident | 82.8 | Confident | 103 Ų | 103 | 90.8 Ų | 90.8 | 54% | 0.539 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -96.9 | 150.1 | 165.4 | -61.4 | -177.3 | 0 | 0 | 0 | 110.8 | C532 P533 Y541 | C532-L536 PolarHBondContact SG-O 3.09Å; C532-L536 VanDerWaalsContact SG-O 3.38Å; P533-L536 HydrophobicContact CB-CD1 4.02Å; P533-L536 HydrophobicContact CB-CG 4.38Å; P533-L536 HydrophobicContact CG-CD1 4.04Å; P533-L536 PolarHBondContact O-N 3.42Å; L536-Y541 HydrophobicContact CD1-CD2 4.32Å |
| 537 | D | 86 | Confident | 84.1 | Confident | 63 Ų | 63 | 86.6 Ų | 86.6 | 34% | 0.337 | 47% | 0.467 | S | S | . | . | | | trans | -72.7 | 123.3 | 170.5 | 166.6 | 48.5 | 0 | 0 | 0 | 110.3 | D539 T540 Y541 | D537-D539 VanDerWaalsContact C-N 3.33Å; D537-D539 PolarHBondContact O-N 2.92Å; D537-D539 PolarHBondContact OD1-N 2.62Å; D537-T540 PolarHBondContact O-N 3.42Å; D537-T540 WeakPolarHBondContact OD2-CB 3.46Å; D537-T540 PolarHBondContact OD2-N 2.89Å; D537-T540 PolarHBondContact OD2-OG1 3.45Å; D537-Y541 WeakPolarHBondContact O-CB 3.32Å; D537-Y541 PolarHBondContact O-N 3.1Å |
| 538 | P | 85.9 | Confident | 85.4 | Confident | 20 Ų | 20 | 78 Ų | 78 | 13% | 0.13 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65.8 | -29.3 | -177.3 | -24.3 | 37.5 | 0 | 0 | 0 | 114.6 | V523 Y525 C532 Y541 T542 | V523-P538 HydrophobicContact CG1-CB 3.55Å; V523-P538 HydrophobicContact CG1-CG 3.49Å; V523-P538 VanDerWaalsContact CG1-CG 3.49Å; Y525-P538 HydrophobicContact CE1-CB 4.33Å; C532-P538 HydrophobicContact CB-CB 3.88Å; C532-P538 HydrophobicContact CB-CG 3.83Å; P538-Y541 PolarHBondContact O-N 3.05Å; P538-T542 WeakPolarHBondContact O-CB 3.47Å; P538-T542 PolarHBondContact O-N 2.92Å; P538-T542 PolarHBondContact O-OG1 3.43Å |
| 539 | D | 85.8 | Confident | 86.5 | Confident | 25 Ų | 25 | 80.8 Ų | 80.8 | 13% | 0.134 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69.8 | -40.9 | 177.1 | -58 | -21.5 | 0 | 0 | 0 | 110 | H524 D537 K543 | H524-D539 PolarHBondContact N-OD1 3.36Å; D537-D539 VanDerWaalsContact C-N 3.33Å; D537-D539 PolarHBondContact O-N 2.92Å; D537-D539 PolarHBondContact OD1-N 2.62Å; D539-K543 WeakPolarHBondContact O-CD 3.28Å; D539-K543 VanDerWaalsContact O-CG 3.24Å; D539-K543 WeakPolarHBondContact O-CG 3.37Å; D539-K543 PolarHBondContact O-N 3.14Å |
| 540 | T | 87.8 | Confident | 87.4 | Confident | 76 Ų | 76 | 83.1 Ų | 83.1 | 47% | 0.466 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 172 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | D537 K543 V544 | D537-T540 PolarHBondContact O-N 3.42Å; D537-T540 WeakPolarHBondContact OD2-CB 3.46Å; D537-T540 PolarHBondContact OD2-N 2.89Å; D537-T540 PolarHBondContact OD2-OG1 3.45Å; T540-K543 PolarHBondContact O-N 3.34Å; T540-V544 WeakPolarHBondContact O-CG2 3.45Å; T540-V544 PolarHBondContact O-N 2.87Å; T540-V544 VanDerWaalsContact O-N 3.16Å |
| 541 | Y | 89.1 | Confident | 88.3 | Confident | 57 Ų | 57 | 83 Ų | 83 | 22% | 0.224 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 176.3 | -176.5 | -108.6 | 0 | 0 | 0 | 111.8 | V529 P530 C532 P533 L536 D537 P538 V544 I545 | V529-Y541 HydrophobicContact CG1-CD1 4.41Å; V529-Y541 HydrophobicContact CG1-CE1 4.41Å; P530-Y541 WeakPolarHBondContact O-CE1 3.35Å; C532-Y541 HydrophobicContact CB-CD1 3.96Å; C532-Y541 HydrophobicContact CB-CG 4.31Å; C532-Y541 VanDerWaalsContact SG-CB 3.6Å; P533-Y541 VanDerWaalsContact CD-CE2 3.45Å; P533-Y541 HydrophobicContact CG-CD2 4.42Å; P533-Y541 HydrophobicContact CG-CE2 3.94Å; L536-Y541 HydrophobicContact CD1-CD2 4.32Å; D537-Y541 WeakPolarHBondContact O-CB 3.32Å; D537-Y541 PolarHBondContact O-N 3.1Å; P538-Y541 PolarHBondContact O-N 3.05Å; Y541-V544 PolarHBondContact O-N 2.89Å; Y541-I545 HydrophobicContact CD1-CD1 3.79Å; Y541-I545 HydrophobicContact CE1-CD1 3.33Å; Y541-I545 HydrophobicContact CE2-CD1 4.21Å; Y541-I545 HydrophobicContact CG-CD1 4.41Å; Y541-I545 PolarHBondContact O-N 3.43Å |
| 542 | T | 88.8 | Confident | 89.2 | Confident | 12 Ų | 12 | 81.4 Ų | 81.4 | 7% | 0.074 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 173.6 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | Y526 V529 P538 V544 I545 V546 | Y526-T542 HydrophobicContact CD2-CG2 3.5Å; Y526-T542 VanDerWaalsContact CD2-CG2 3.5Å; Y526-T542 HydrophobicContact CE2-CG2 3.76Å; Y526-T542 HydrophobicContact CG-CG2 4.27Å; V529-T542 HydrophobicContact CG2-CG2 4.44Å; P538-T542 WeakPolarHBondContact O-CB 3.47Å; P538-T542 PolarHBondContact O-N 2.92Å; P538-T542 PolarHBondContact O-OG1 3.43Å; T542-V544 VanDerWaalsContact C-N 3.27Å; T542-V544 PolarHBondContact O-N 3.16Å; T542-I545 PolarHBondContact O-N 3.13Å; T542-V546 HydrophobicContact CG2-CG2 4.19Å; T542-V546 WeakPolarHBondContact O-CG2 3.35Å; T542-V546 PolarHBondContact O-N 2.94Å |
| 543 | K | 89.4 | Confident | 89.8 | Confident | 136 Ų | 136 | 84.8 Ų | 84.8 | 59% | 0.591 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -57 | -39.4 | 178.7 | -73 | 158.8 | -170.1 | 160.6 | 0 | 112.4 | D539 T540 A547 | D539-K543 WeakPolarHBondContact O-CD 3.28Å; D539-K543 VanDerWaalsContact O-CG 3.24Å; D539-K543 WeakPolarHBondContact O-CG 3.37Å; D539-K543 PolarHBondContact O-N 3.14Å; T540-K543 PolarHBondContact O-N 3.34Å; K543-A547 WeakPolarHBondContact O-CB 3.4Å; K543-A547 PolarHBondContact O-N 3.21Å |
| 544 | V | 92 | Very high | 90.3 | Very high | 95 Ų | 95 | 87.4 Ų | 87.4 | 58% | 0.576 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.8 | -40.3 | 174.7 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | T540 Y541 T542 Q548 | T540-V544 WeakPolarHBondContact O-CG2 3.45Å; T540-V544 PolarHBondContact O-N 2.87Å; T540-V544 VanDerWaalsContact O-N 3.16Å; Y541-V544 PolarHBondContact O-N 2.89Å; T542-V544 VanDerWaalsContact C-N 3.27Å; T542-V544 PolarHBondContact O-N 3.16Å; V544-Q548 VanDerWaalsContact O-CB 3.28Å; V544-Q548 WeakPolarHBondContact O-CB 3.23Å; V544-Q548 PolarHBondContact O-N 2.82Å |
| 545 | I | 90.8 | Very high | 90.9 | Very high | 49 Ų | 49 | 78.1 Ų | 78.1 | 25% | 0.251 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -71.1 | -43 | -179.9 | -71.7 | 166.3 | 0 | 0 | 0 | 111.8 | V529 Y541 T542 Q548 M549 | V529-I545 HydrophobicContact CG1-CD1 3.83Å; Y541-I545 HydrophobicContact CD1-CD1 3.79Å; Y541-I545 HydrophobicContact CE1-CD1 3.33Å; Y541-I545 HydrophobicContact CE2-CD1 4.21Å; Y541-I545 HydrophobicContact CG-CD1 4.41Å; Y541-I545 PolarHBondContact O-N 3.43Å; T542-I545 PolarHBondContact O-N 3.13Å; I545-Q548 PolarHBondContact O-N 3.16Å; I545-M549 WeakPolarHBondContact O-CB 3.19Å; I545-M549 PolarHBondContact O-N 2.99Å |
| 546 | V | 89 | Confident | 91.7 | Very high | 65 Ų | 65 | 78.8 Ų | 78.8 | 39% | 0.394 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 174.9 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | T542 Q548 M549 E550 | T542-V546 HydrophobicContact CG2-CG2 4.19Å; T542-V546 WeakPolarHBondContact O-CG2 3.35Å; T542-V546 PolarHBondContact O-N 2.94Å; V546-Q548 VanDerWaalsContact C-N 3.31Å; V546-Q548 PolarHBondContact O-N 3.31Å; V546-M549 WeakPolarHBondContact O-CB 3.34Å; V546-M549 PolarHBondContact O-N 3.05Å; V546-M549 VanDerWaalsContact O-N 3.09Å; V546-E550 PolarHBondContact O-N 3.4Å |
| 547 | A | 93.7 | Very high | 92.2 | Very high | 47 Ų | 47 | 78.2 Ų | 78.2 | 39% | 0.388 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.3 | -37.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K543 M549 E550 V551 | K543-A547 WeakPolarHBondContact O-CB 3.4Å; K543-A547 PolarHBondContact O-N 3.21Å; A547-M549 VanDerWaalsContact C-N 3.34Å; A547-E550 PolarHBondContact O-N 3.4Å; A547-V551 WeakPolarHBondContact O-CG2 3.39Å; A547-V551 PolarHBondContact O-N 3.38Å |
| 548 | Q | 94.6 | Very high | 92.5 | Very high | 84 Ų | 84 | 81.9 Ų | 81.9 | 39% | 0.393 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.9 | -35.4 | 174.7 | -177.8 | 57.2 | 78.1 | 0 | 0 | 112.2 | V544 I545 V546 V551 Y552 | V544-Q548 VanDerWaalsContact O-CB 3.28Å; V544-Q548 WeakPolarHBondContact O-CB 3.23Å; V544-Q548 PolarHBondContact O-N 2.82Å; I545-Q548 PolarHBondContact O-N 3.16Å; V546-Q548 VanDerWaalsContact C-N 3.31Å; V546-Q548 PolarHBondContact O-N 3.31Å; Q548-V551 PolarHBondContact O-N 3Å; Q548-Y552 HydrophobicContact CG-CD2 4.18Å; Q548-Y552 HydrophobicContact CG-CE2 3.68Å; Q548-Y552 WeakPolarHBondContact O-CD2 3.49Å; Q548-Y552 PolarHBondContact O-N 3.21Å; Q548-Y552 VanDerWaalsContact O-N 3.1Å |
| 549 | M | 94 | Very high | 92.6 | Very high | 131 Ų | 131 | 84 Ų | 84 | 65% | 0.645 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -69.4 | -41.8 | 175.5 | -164.7 | 169.9 | 72.8 | 0 | 0 | 111.7 | I545 V546 A547 V551 Y552 E553 | I545-M549 WeakPolarHBondContact O-CB 3.19Å; I545-M549 PolarHBondContact O-N 2.99Å; V546-M549 WeakPolarHBondContact O-CB 3.34Å; V546-M549 PolarHBondContact O-N 3.05Å; V546-M549 VanDerWaalsContact O-N 3.09Å; A547-M549 VanDerWaalsContact C-N 3.34Å; M549-V551 VanDerWaalsContact C-N 3.32Å; M549-V551 PolarHBondContact O-N 2.9Å; M549-Y552 PolarHBondContact O-N 3.28Å; M549-E553 PolarHBondContact O-N 3.34Å |
| 550 | E | 96 | Very high | 92.6 | Very high | 87 Ų | 87 | 87.4 Ų | 87.4 | 41% | 0.407 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57.4 | -42.2 | 170.4 | -75.5 | -176.2 | -126 | 0 | 0 | 112.5 | V546 A547 E553 K554 | V546-E550 PolarHBondContact O-N 3.4Å; A547-E550 PolarHBondContact O-N 3.4Å; E550-E553 PolarHBondContact O-N 3.4Å; E550-K554 WeakPolarHBondContact O-CB 3.36Å; E550-K554 WeakPolarHBondContact O-CD 3.5Å; E550-K554 WeakPolarHBondContact O-CG 3.22Å; E550-K554 PolarHBondContact O-N 3.03Å; E550-K554 IonicContact OE2-NZ 2.77Å; E550-K554 PolarHBondContact OE2-NZ 2.62Å |
| 551 | V | 97.8 | Very high | 92.5 | Very high | 76 Ų | 76 | 92.9 Ų | 92.9 | 46% | 0.461 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 177.4 | 167.2 | 0 | 0 | 0 | 0 | 110.5 | A547 Q548 M549 E553 K554 S555 | A547-V551 WeakPolarHBondContact O-CG2 3.39Å; A547-V551 PolarHBondContact O-N 3.38Å; Q548-V551 PolarHBondContact O-N 3Å; M549-V551 VanDerWaalsContact C-N 3.32Å; M549-V551 PolarHBondContact O-N 2.9Å; V551-E553 PolarHBondContact O-N 2.86Å; V551-K554 PolarHBondContact O-N 3.16Å; V551-S555 WeakPolarHBondContact O-CB 3.46Å; V551-S555 PolarHBondContact O-N 3.41Å; V551-S555 PolarHBondContact O-OG 3.39Å |
| 552 | Y | 96.6 | Very high | 91.6 | Very high | 156 Ų | 156 | 92.2 Ų | 92.2 | 61% | 0.612 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.6 | -41.8 | 174.9 | -72.4 | -51.3 | 0 | 0 | 0 | 112.4 | Q548 M549 S555 L556 | Q548-Y552 HydrophobicContact CG-CD2 4.18Å; Q548-Y552 HydrophobicContact CG-CE2 3.68Å; Q548-Y552 WeakPolarHBondContact O-CD2 3.49Å; Q548-Y552 PolarHBondContact O-N 3.21Å; Q548-Y552 VanDerWaalsContact O-N 3.1Å; M549-Y552 PolarHBondContact O-N 3.28Å; Y552-S555 PolarHBondContact O-N 3.27Å; Y552-L556 WeakPolarHBondContact O-CB 3.5Å; Y552-L556 PolarHBondContact O-N 2.9Å |
| 553 | E | 96.5 | Very high | 90.9 | Very high | 96 Ų | 96 | 98.9 Ų | 98.9 | 45% | 0.449 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 177.7 | -160.9 | -150.7 | -163.5 | 0 | 0 | 111.9 | M549 E550 V551 L556 K557 | M549-E553 PolarHBondContact O-N 3.34Å; E550-E553 PolarHBondContact O-N 3.4Å; V551-E553 PolarHBondContact O-N 2.86Å; E553-L556 PolarHBondContact O-N 3Å; E553-K557 VanDerWaalsContact CD-CE 3.49Å; E553-K557 HydrophobicContact CG-CD 4.42Å; E553-K557 WeakPolarHBondContact O-CG 3.32Å; E553-K557 PolarHBondContact O-N 3.01Å; E553-K557 VanDerWaalsContact OE1-CE 3.23Å; E553-K557 WeakPolarHBondContact OE1-CE 3.4Å; E553-K557 IonicContact OE1-NZ 2.62Å; E553-K557 PolarHBondContact OE1-NZ 2.91Å; E553-K557 IonicContact OE2-NZ 2.62Å; E553-K557 PolarHBondContact OE2-NZ 3.25Å |
| 554 | K | 96.6 | Very high | 89.5 | Confident | 114 Ų | 114 | 99.2 Ų | 99.2 | 50% | 0.496 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 177.7 | -70.3 | 161.5 | -166.8 | 170.5 | 0 | 111.1 | E550 V551 L556 K557 E558 | E550-K554 WeakPolarHBondContact O-CB 3.36Å; E550-K554 WeakPolarHBondContact O-CD 3.5Å; E550-K554 WeakPolarHBondContact O-CG 3.22Å; E550-K554 PolarHBondContact O-N 3.03Å; E550-K554 IonicContact OE2-NZ 2.77Å; E550-K554 PolarHBondContact OE2-NZ 2.62Å; V551-K554 PolarHBondContact O-N 3.16Å; K554-L556 PolarHBondContact O-N 3.44Å; K554-K557 PolarHBondContact O-N 2.92Å; K554-E558 PolarHBondContact O-N 3.47Å |
| 555 | S | 95.6 | Very high | 88.4 | Confident | 64 Ų | 64 | 104.6 Ų | 104.6 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.5 | -34.7 | 175.6 | -64.9 | 0 | 0 | 0 | 0 | 113.3 | V551 Y552 E558 A559 | V551-S555 WeakPolarHBondContact O-CB 3.46Å; V551-S555 PolarHBondContact O-N 3.41Å; V551-S555 PolarHBondContact O-OG 3.39Å; Y552-S555 PolarHBondContact O-N 3.27Å; S555-E558 PolarHBondContact O-N 3.29Å; S555-A559 WeakPolarHBondContact O-CB 3.44Å; S555-A559 PolarHBondContact O-N 3.32Å |
| 556 | L | 95.8 | Very high | 87.1 | Confident | 98 Ų | 98 | 111.3 Ų | 111.3 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.5 | -47 | 175 | 179 | 62 | 0 | 0 | 0 | 111.2 | Y552 E553 K554 E558 A559 Q560 | Y552-L556 WeakPolarHBondContact O-CB 3.5Å; Y552-L556 PolarHBondContact O-N 2.9Å; E553-L556 PolarHBondContact O-N 3Å; K554-L556 PolarHBondContact O-N 3.44Å; L556-E558 VanDerWaalsContact C-N 3.29Å; L556-E558 PolarHBondContact O-N 3.29Å; L556-A559 PolarHBondContact O-N 3.42Å; L556-Q560 HydrophobicContact CD1-CG 4.43Å; L556-Q560 WeakPolarHBondContact O-CB 3.36Å; L556-Q560 VanDerWaalsContact O-CG 3.25Å; L556-Q560 WeakPolarHBondContact O-CG 3.41Å; L556-Q560 PolarHBondContact O-N 3.4Å |
| 557 | K | 94.3 | Very high | 86 | Confident | 91 Ų | 91 | 112.1 Ų | 112.1 | 40% | 0.396 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.9 | -37 | 175.2 | -72.3 | 171.1 | -177.9 | 169.1 | 0 | 111.7 | E553 K554 R561 | E553-K557 VanDerWaalsContact CD-CE 3.49Å; E553-K557 HydrophobicContact CG-CD 4.42Å; E553-K557 WeakPolarHBondContact O-CG 3.32Å; E553-K557 PolarHBondContact O-N 3.01Å; E553-K557 VanDerWaalsContact OE1-CE 3.23Å; E553-K557 WeakPolarHBondContact OE1-CE 3.4Å; E553-K557 IonicContact OE1-NZ 2.62Å; E553-K557 PolarHBondContact OE1-NZ 2.91Å; E553-K557 IonicContact OE2-NZ 2.62Å; E553-K557 PolarHBondContact OE2-NZ 3.25Å; K554-K557 PolarHBondContact O-N 2.92Å; K557-R561 VanDerWaalsContact O-CG 3.26Å; K557-R561 WeakPolarHBondContact O-CG 3.49Å; K557-R561 PolarHBondContact O-N 3.4Å |
| 558 | E | 92.1 | Very high | 84.9 | Confident | 140 Ų | 140 | 118.9 Ų | 118.9 | 65% | 0.654 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.2 | -47.6 | 174.1 | -171.7 | 176.3 | -173.1 | 0 | 0 | 112.4 | K554 S555 L556 Q560 R561 G562 | K554-E558 PolarHBondContact O-N 3.47Å; S555-E558 PolarHBondContact O-N 3.29Å; L556-E558 VanDerWaalsContact C-N 3.29Å; L556-E558 PolarHBondContact O-N 3.29Å; E558-Q560 VanDerWaalsContact C-N 3.32Å; E558-Q560 PolarHBondContact O-N 3.44Å; E558-R561 WeakPolarHBondContact O-CB 3.49Å; E558-R561 PolarHBondContact O-N 3.49Å; E558-G562 PolarHBondContact O-N 2.83Å; E558-G562 VanDerWaalsContact O-N 3.09Å |
| 559 | A | 88.3 | Confident | 83.3 | Confident | 66 Ų | 66 | 126.6 Ų | 126.6 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -60.5 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S555 L556 G562 L563 | S555-A559 WeakPolarHBondContact O-CB 3.44Å; S555-A559 PolarHBondContact O-N 3.32Å; L556-A559 PolarHBondContact O-N 3.42Å; A559-G562 WeakPolarHBondContact O-CA 3.48Å; A559-G562 PolarHBondContact O-N 2.92Å; A559-G562 VanDerWaalsContact O-N 3.16Å; A559-L563 PolarHBondContact O-N 3.08Å |
| 560 | Q | 86.9 | Confident | 82.4 | Confident | 95 Ų | 95 | 123.5 Ų | 123.5 | 44% | 0.444 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.4 | -41.4 | 174.5 | -73.3 | 170.4 | -8.5 | 0 | 0 | 112.4 | L556 E558 G562 L563 L564 | L556-Q560 HydrophobicContact CD1-CG 4.43Å; L556-Q560 WeakPolarHBondContact O-CB 3.36Å; L556-Q560 VanDerWaalsContact O-CG 3.25Å; L556-Q560 WeakPolarHBondContact O-CG 3.41Å; L556-Q560 PolarHBondContact O-N 3.4Å; E558-Q560 VanDerWaalsContact C-N 3.32Å; E558-Q560 PolarHBondContact O-N 3.44Å; Q560-G562 PolarHBondContact O-N 3.27Å; Q560-L563 PolarHBondContact O-N 3.2Å; Q560-L563 VanDerWaalsContact O-N 3.16Å; Q560-L564 WeakPolarHBondContact O-CG 3.36Å; Q560-L564 PolarHBondContact O-N 3.46Å |
| 561 | R | 85.5 | Confident | 81 | Confident | 192 Ų | 192 | 128.3 Ų | 128.3 | 73% | 0.725 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -60.5 | -34 | 172.8 | -73.4 | 165.7 | 177.2 | -174.5 | -1.3 | 112.2 | K557 E558 R565 | K557-R561 VanDerWaalsContact O-CG 3.26Å; K557-R561 WeakPolarHBondContact O-CG 3.49Å; K557-R561 PolarHBondContact O-N 3.4Å; E558-R561 WeakPolarHBondContact O-CB 3.49Å; E558-R561 PolarHBondContact O-N 3.49Å; R561-R565 WeakPolarHBondContact O-CG 3.25Å |
| 562 | G | 70 | Confident | 79.6 | Confident | 43 Ų | 43 | 129.1 Ų | 129.1 | 44% | 0.443 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -66.2 | -46.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E558 A559 Q560 R565 | E558-G562 PolarHBondContact O-N 2.83Å; E558-G562 VanDerWaalsContact O-N 3.09Å; A559-G562 WeakPolarHBondContact O-CA 3.48Å; A559-G562 PolarHBondContact O-N 2.92Å; A559-G562 VanDerWaalsContact O-N 3.16Å; Q560-G562 PolarHBondContact O-N 3.27Å; G562-R565 PolarHBondContact O-N 2.8Å |
| 563 | L | 72.9 | Confident | 77.8 | Confident | 152 Ų | 152 | 129.6 Ų | 129.6 | 80% | 0.796 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -70.3 | -34 | -176.2 | -172.2 | 63 | 0 | 0 | 0 | 113.6 | A559 Q560 R565 | A559-L563 PolarHBondContact O-N 3.08Å; Q560-L563 PolarHBondContact O-N 3.2Å; Q560-L563 VanDerWaalsContact O-N 3.16Å; L563-R565 PolarHBondContact O-N 2.92Å |
| 564 | L | 61.7 | Low | 75.9 | Confident | 143 Ų | 143 | 133.1 Ų | 133.1 | 75% | 0.749 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 0.7 | 179.9 | -68.6 | 175.4 | 0 | 0 | 0 | 114.3 | Q560 K566 | Q560-L564 WeakPolarHBondContact O-CG 3.36Å; Q560-L564 PolarHBondContact O-N 3.46Å; L564-K566 PolarHBondContact O-N 3.4Å |
| 565 | R | 67.8 | Low | 73.9 | Confident | 207 Ų | 207 | 133.3 Ų | 133.3 | 78% | 0.781 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -71.2 | 94.5 | 169.9 | -63.1 | -150.7 | -59.6 | -141.9 | 0.8 | 109.8 | R561 G562 L563 A567 | R561-R565 WeakPolarHBondContact O-CG 3.25Å; G562-R565 PolarHBondContact O-N 2.8Å; L563-R565 PolarHBondContact O-N 2.92Å; R565-A567 PolarHBondContact O-N 3.37Å; R565-A567 VanDerWaalsContact O-N 3.16Å |
| 566 | K | 62.6 | Low | 71.3 | Confident | 191 Ų | 191 | 137 Ų | 137 | 83% | 0.83 | 70% | 0.703 | S | S | * | * | | | trans | -42.7 | 120.7 | 172.3 | -63.4 | 179.3 | -174.5 | 179.4 | 0 | 109.7 | L564 | L564-K566 PolarHBondContact O-N 3.4Š|
| 567 | A | 67.8 | Low | 68.7 | Low | 81 Ų | 81 | 136.9 Ų | 136.9 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 141.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | R565 W569 | R565-A567 PolarHBondContact O-N 3.37Å; R565-A567 VanDerWaalsContact O-N 3.16Å; A567-W569 PolarHBondContact O-N 3.15Å; A567-W569 VanDerWaalsContact O-N 3.15Å |
| 568 | E | 70.3 | Confident | 66 | Low | 190 Ų | 190 | 141.9 Ų | 141.9 | 89% | 0.888 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 119.3 | 172.6 | 57.7 | -174.1 | 178.6 | 0 | 0 | 108.9 | G570 | E568-G570 PolarHBondContact O-N 3.49Š|
| 569 | W | 60.8 | Low | 63.4 | Low | 245 Ų | 245 | 143 Ų | 143 | 93% | 0.928 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 123.1 | 175.9 | -72.9 | 80.3 | 0 | 0 | 0 | 107.7 | A567 | A567-W569 PolarHBondContact O-N 3.15Å; A567-W569 VanDerWaalsContact O-N 3.15Å |
| 570 | G | 75 | Confident | 60.9 | Low | 66 Ų | 66 | 145.7 Ų | 145.7 | 68% | 0.68 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 155.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E568 A572 | E568-G570 PolarHBondContact O-N 3.49Å; G570-A572 PolarHBondContact O-N 3.4Å |
| 571 | E | 66.9 | Low | 58.1 | Low | 189 Ų | 189 | 150 Ų | 150 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | | | trans | -45.9 | 126.1 | -173.3 | -171.7 | 172.2 | -154.2 | 0 | 0 | 112.2 | I573 | E571-I573 PolarHBondContact O-N 3.31Š|
| 572 | A | 67.4 | Low | 55.4 | Low | 92 Ų | 92 | 146.2 Ų | 146.2 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | trans | -63.1 | 109.8 | -166.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G570 Q574 | G570-A572 PolarHBondContact O-N 3.4Å; A572-Q574 VanDerWaalsContact C-N 3.29Å; A572-Q574 PolarHBondContact O-N 2.87Å |
| 573 | I | 58.6 | Low | 54.1 | Low | 166 Ų | 166 | 149.5 Ų | 149.5 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | -69.5 | 86.9 | 179 | -53.8 | 179 | 0 | 0 | 0 | 109.2 | E571 P575 | E571-I573 PolarHBondContact O-N 3.31Å; I573-P575 WeakPolarHBondContact O-CD 3.12Å |
| 574 | Q | 57.7 | Low | 52 | Low | 171 Ų | 171 | 151.7 Ų | 151.7 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | | | trans | -69.2 | 120.7 | 176.5 | -175 | 173.4 | 86.3 | 0 | 0 | 109.4 | A572 E576 | A572-Q574 VanDerWaalsContact C-N 3.29Å; A572-Q574 PolarHBondContact O-N 2.87Å; Q574-E576 PolarHBondContact O-N 3.06Å; Q574-E576 VanDerWaalsContact O-N 3.12Å |
| 575 | P | 53.1 | Low | 50.6 | Low | 117 Ų | 117 | 151.1 Ų | 151.1 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | trans | -68.6 | 111.1 | 176.6 | 27 | -32.6 | 0 | 0 | 0 | 109.5 | I573 | I573-P575 WeakPolarHBondContact O-CD 3.12Š|
| 576 | E | 41.8 | Very low | 48.9 | Very low | 142 Ų | 142 | 147.2 Ų | 147.2 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | | | trans | -65.1 | 128.9 | -175.9 | -159 | -168.9 | 173.9 | 0 | 0 | 110.6 | Q574 Q578 K579 | Q574-E576 PolarHBondContact O-N 3.06Å; Q574-E576 VanDerWaalsContact O-N 3.12Å; E576-Q578 PolarHBondContact O-N 3.42Å; E576-K579 IonicContact OE1-NZ 2.79Å; E576-K579 PolarHBondContact OE1-NZ 2.88Å |
| 577 | P | 42.2 | Very low | 47.5 | Very low | 96 Ų | 96 | 143.3 Ų | 143.3 | 62% | 0.623 | 81% | 0.806 | S | S | * | * | | | trans | -64.8 | 122.4 | 176.6 | 25.5 | -34.2 | 0 | 0 | 0 | 110.6 | K579 | P577-K579 PolarHBondContact O-N 3.11Š|
| 578 | Q | 36.8 | Very low | 45.7 | Very low | 196 Ų | 196 | 143 Ų | 143 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | | | trans | -58.9 | 108 | -175.9 | -69.6 | -173.1 | -12.3 | 0 | 0 | 112 | E576 S580 | E576-Q578 PolarHBondContact O-N 3.42Å; Q578-S580 PolarHBondContact O-N 2.82Å |
| 579 | K | 38.1 | Very low | 43.9 | Very low | 162 Ų | 162 | 139.3 Ų | 139.3 | 70% | 0.704 | 81% | 0.806 | S | S | * | * | | | trans | -75.4 | 117.4 | 167.2 | -67.6 | 164.9 | -169.7 | 133.4 | 0 | 108.4 | E576 P577 M581 | E576-K579 IonicContact OE1-NZ 2.79Å; E576-K579 PolarHBondContact OE1-NZ 2.88Å; P577-K579 PolarHBondContact O-N 3.11Å; K579-M581 PolarHBondContact O-N 2.59Å |
| 580 | S | 34.8 | Very low | 43 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | -68.1 | 119.6 | 177.9 | 39.4 | 0 | 0 | 0 | 0 | 111.3 | Q578 | Q578-S580 PolarHBondContact O-N 2.82Š|
| 581 | M | 28.5 | Very low | 41.1 | Very low | 185 Ų | 185 | 137.6 Ų | 137.6 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | | | trans | -93.6 | 109.3 | 168.3 | -73.4 | 175.9 | 61.1 | 0 | 0 | 109.6 | K579 | K579-M581 PolarHBondContact O-N 2.59Š|
| 582 | S | 28.4 | Very low | 39.6 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | -74 | 145 | 165.2 | -169.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 583 | P | 43.7 | Very low | 37.8 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | | | trans | -86.8 | 135.1 | -173.3 | 32.9 | -34.1 | 0 | 0 | 0 | 112.9 | | |
| 584 | E | 29.1 | Very low | 36.7 | Very low | 197 Ų | 197 | 133.7 Ų | 133.7 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | | | trans | -135.1 | 166.3 | 152 | -78.3 | -146.9 | 99.9 | 0 | 0 | 109.8 | | |
| 585 | T | 32.1 | Very low | 35.5 | Very low | 131 Ų | 131 | 131 Ų | 131 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -118.3 | 147.4 | -157 | 64.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 586 | S | 31.2 | Very low | 34.7 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | | | trans | -174.3 | 155.9 | 140.9 | 30.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 587 | A | 33.9 | Very low | 34.4 | Very low | 110 Ų | 110 | 142 Ų | 142 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | | | trans | -84.2 | 157 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 588 | G | 29.4 | Very low | 34.1 | Very low | 73 Ų | 73 | 149.3 Ų | 149.3 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | | | trans | 168.4 | 77.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 589 | S | 32.7 | Very low | 33.9 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | | | trans | 62.4 | 139.6 | 151.2 | -159 | 0 | 0 | 0 | 0 | 121.1 | | |
| 590 | P | 41.7 | Very low | 34.1 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 74% | 0.74 | 83% | 0.826 | S | S | * | * | | | trans | -96.1 | 127.5 | 172.9 | 35.4 | -30.7 | 0 | 0 | 0 | 114 | | |
| 591 | Q | 34.6 | Very low | 34.2 | Very low | 161 Ų | 161 | 149.4 Ų | 149.4 | 75% | 0.752 | 83% | 0.831 | S | S | * | * | | | trans | -148.5 | 121.1 | 165.8 | -96.3 | -61.9 | -46.5 | 0 | 0 | 111.9 | C593 | Q591-C593 PolarHBondContact O-N 3.48Š|
| 592 | P | 36.5 | Very low | 34.7 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | | | trans | -88.6 | 86.7 | 177.1 | 34.1 | -32.6 | 0 | 0 | 0 | 112.1 | V594 | P592-V594 PolarHBondContact O-N 3.4Š|
| 593 | C | 30.1 | Very low | 35 | Very low | 109 Ų | 109 | 154.7 Ų | 154.7 | 74% | 0.736 | 83% | 0.834 | S | S | * | * | | | trans | -74.6 | 112.5 | 178.4 | -73.3 | 0 | 0 | 0 | 0 | 113 | Q591 S595 | Q591-C593 PolarHBondContact O-N 3.48Å; C593-S595 PolarHBondContact O-N 3.29Å |
| 594 | V | 34.2 | Very low | 34.5 | Very low | 140 Ų | 140 | 152.5 Ų | 152.5 | 85% | 0.848 | 83% | 0.832 | S | S | * | * | | | trans | -59.7 | 116.3 | 178 | -76 | 0 | 0 | 0 | 0 | 113.4 | P592 R596 | P592-V594 PolarHBondContact O-N 3.4Å; V594-R596 PolarHBondContact O-N 3.09Å |
| 595 | S | 33.9 | Very low | 34.7 | Very low | 115 Ų | 115 | 148.7 Ų | 148.7 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | | | trans | -92.7 | 77.6 | -179.7 | -72.3 | 0 | 0 | 0 | 0 | 112.8 | C593 R597 | C593-S595 PolarHBondContact O-N 3.29Å; S595-R597 PolarHBondContact O-N 2.83Å; S595-R597 VanDerWaalsContact O-N 3.16Å |
| 596 | R | 35.5 | Very low | 34.8 | Very low | 247 Ų | 247 | 152.1 Ų | 152.1 | 93% | 0.932 | 83% | 0.831 | S | S | * | * | | | trans | -63.8 | 103.5 | 174.4 | -178.3 | -174.1 | -173.9 | -134.5 | 8.5 | 111.4 | V594 | V594-R596 PolarHBondContact O-N 3.09Š|
| 597 | R | 36.3 | Very low | 35 | Very low | 241 Ų | 241 | 156.7 Ų | 156.7 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | | | trans | -98 | 115.8 | -177.5 | -149.3 | -172.5 | -64.4 | -119.8 | 9 | 112.2 | S595 | S595-R597 PolarHBondContact O-N 2.83Å; S595-R597 VanDerWaalsContact O-N 3.16Å |
| 598 | R | 35.3 | Very low | 34.7 | Very low | 251 Ų | 251 | 156.9 Ų | 156.9 | 95% | 0.947 | 82% | 0.824 | S | S | * | * | | | trans | -154.8 | 138.2 | 164 | -161.9 | -178.2 | -143.1 | -128.4 | 5 | 110.6 | | |
| 599 | G | 32.7 | Very low | 34.7 | Very low | 73 Ų | 73 | 161.2 Ų | 161.2 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | | | trans | 116 | 105.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 600 | L | 41.9 | Very low | 34.6 | Very low | 158 Ų | 158 | 160.3 Ų | 160.3 | 83% | 0.827 | 82% | 0.824 | S | S | * | * | | | trans | -68.7 | 145.5 | 160.6 | -69.8 | 70.8 | 0 | 0 | 0 | 109.4 | | |
| 601 | R | 36.5 | Very low | 34 | Very low | 252 Ų | 252 | 159 Ų | 159 | 95% | 0.951 | 82% | 0.823 | S | S | * | * | | | trans | -146.3 | 131.2 | 144 | -79 | -155.6 | 164.5 | 158.1 | -2.3 | 111.5 | | |
| 602 | L | 39.8 | Very low | 33.7 | Very low | 160 Ų | 160 | 158.6 Ų | 158.6 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | | | trans | -83.3 | 154.3 | 170.8 | -80.4 | 66.6 | 0 | 0 | 0 | 111 | | |
| 603 | R | 35.2 | Very low | 33.2 | Very low | 249 Ų | 249 | 161.7 Ų | 161.7 | 94% | 0.94 | 83% | 0.828 | S | S | * | * | | | trans | -150.9 | 140.5 | 159.2 | -109.6 | -176.5 | 178 | -103.3 | 6.7 | 107.2 | | |
| 604 | G | 32.8 | Very low | 33.1 | Very low | 67 Ų | 67 | 164.3 Ų | 164.3 | 69% | 0.691 | 83% | 0.834 | S | S | * | * | | | cis | 146.5 | 78.9 | -5.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 605 | S | 31.7 | Very low | 33.5 | Very low | 117 Ų | 117 | 162.2 Ų | 162.2 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | | | trans | -174 | 145.8 | 168.3 | -106.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 606 | K | 34.2 | Very low | 33.2 | Very low | 203 Ų | 203 | 165.3 Ų | 165.3 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | | | cis | -125.6 | -166.1 | 11.8 | -62.6 | 178.2 | 179.2 | 171.7 | 0 | 111.7 | | |
| 607 | R | 36.8 | Very low | 33 | Very low | 221 Ų | 221 | 161.6 Ų | 161.6 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | | | trans | -121.1 | 149 | -166.1 | -62.4 | 177.3 | 170.3 | -161 | 0.5 | 115.4 | | |
| 608 | S | 27.4 | Very low | 33 | Very low | 113 Ų | 113 | 158.7 Ų | 158.7 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | | | trans | -177.7 | 120.1 | 136.6 | 47.4 | 0 | 0 | 0 | 0 | 106.8 | | |
| 609 | E | 29.3 | Very low | 33.2 | Very low | 164 Ų | 164 | 155.7 Ų | 155.7 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | | | cis | 72.8 | 114.8 | 43.4 | -157.7 | 175.2 | 155.5 | 0 | 0 | 111.7 | | |
| 610 | A | 29.9 | Very low | 33.4 | Very low | 95 Ų | 95 | 158.7 Ų | 158.7 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | cis | -163.5 | -176.2 | -8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 611 | A | 30.1 | Very low | 33.3 | Very low | 88 Ų | 88 | 162.6 Ų | 162.6 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | trans | 102.4 | 119.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 612 | D | 28 | Very low | 33.2 | Very low | 152 Ų | 152 | 158 Ų | 158 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | 69.4 | 177.3 | 136.8 | -56.4 | -30.8 | 0 | 0 | 0 | 124.1 | | |
| 613 | F | 26.3 | Very low | 33.1 | Very low | 181 Ų | 181 | 157.3 Ų | 157.3 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | trans | -124.4 | 134.2 | -146 | -68.2 | -107.7 | 0 | 0 | 0 | 114.6 | | |
| 614 | L | 28 | Very low | 32.9 | Very low | 163 Ų | 163 | 152.5 Ų | 152.5 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | 60.1 | 176.8 | 157.3 | -60.1 | 172 | 0 | 0 | 0 | 116.5 | | |
| 615 | P | 42.8 | Very low | 32.7 | Very low | 97 Ų | 97 | 152.6 Ų | 152.6 | 63% | 0.63 | 79% | 0.787 | S | S | * | * | | | | -117.6 | -175.8 | -61.5 | 38.9 | -27.3 | 0 | 0 | 0 | 111.3 | | |
| 616 | E | 26.3 | Very low | 32.9 | Very low | 180 Ų | 180 | 156.1 Ų | 156.1 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | | | trans | 65.2 | 159.5 | 162.8 | -88.8 | 163.4 | 156.3 | 0 | 0 | 114.9 | | |
| 617 | E | 31.5 | Very low | 32.9 | Very low | 169 Ų | 169 | 155.6 Ų | 155.6 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | cis | -130.6 | -175.8 | -0.6 | -66.9 | -172 | 126.5 | 0 | 0 | 111.8 | | |
| 618 | E | 36.6 | Very low | 32.7 | Very low | 180 Ų | 180 | 153.7 Ų | 153.7 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | | | trans | -21.9 | 155.5 | 167.1 | -54 | 178.3 | 157.9 | 0 | 0 | 122 | | |
| 619 | E | 38.7 | Very low | 33 | Very low | 187 Ų | 187 | 157.8 Ų | 157.8 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | | -156.3 | 154.6 | 108.7 | -101.1 | -150.6 | 168.1 | 0 | 0 | 112.1 | | |
| 620 | E | 38.2 | Very low | 33.1 | Very low | 136 Ų | 136 | 158.4 Ų | 158.4 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | | | trans | -67.2 | 151.5 | -178.3 | -54 | -177 | 134.2 | 0 | 0 | 113.9 | K622 | E620-K622 WeakPolarHBondContact OE1-CE 3.14Å; E620-K622 IonicContact OE1-NZ 3.65Å; E620-K622 WeakPolarHBondContact OE2-CE 3.42Å; E620-K622 IonicContact OE2-NZ 2.83Å |
| 621 | R | 39 | Very low | 33.1 | Very low | 240 Ų | 240 | 163.5 Ų | 163.5 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | | | | -139.7 | 156.5 | 113.6 | -68.3 | -156.8 | -175.5 | -80 | -22.2 | 109.7 | | |
| 622 | K | 35.7 | Very low | 33.6 | Very low | 155 Ų | 155 | 167.6 Ų | 167.6 | 67% | 0.674 | 81% | 0.811 | S | S | * | * | | | trans | -94.2 | 161.7 | -158 | -62.8 | -174.6 | 179 | -174.7 | 0 | 114.3 | E620 | E620-K622 WeakPolarHBondContact OE1-CE 3.14Å; E620-K622 IonicContact OE1-NZ 3.65Å; E620-K622 WeakPolarHBondContact OE2-CE 3.42Å; E620-K622 IonicContact OE2-NZ 2.83Å |
| 623 | D | 36.5 | Very low | 33.8 | Very low | 146 Ų | 146 | 167.9 Ų | 167.9 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | | | trans | -60.8 | 177.9 | 159.2 | -157.5 | -3.8 | 0 | 0 | 0 | 111.9 | | |
| 624 | D | 30.9 | Very low | 34.3 | Very low | 149 Ų | 149 | 168.6 Ų | 168.6 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | | | trans | 143.2 | 102 | 151.3 | -72.5 | -23 | 0 | 0 | 0 | 113 | | |
| 625 | G | 28.6 | Very low | 34.8 | Very low | 68 Ų | 68 | 169.9 Ų | 169.9 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | | | trans | 77.1 | 140.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 626 | E | 36.2 | Very low | 34.1 | Very low | 191 Ų | 191 | 168.6 Ų | 168.6 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | | | cis | 57 | 153.4 | 4 | -64.9 | -165.1 | -176.2 | 0 | 0 | 118.2 | | |
| 627 | E | 33.7 | Very low | 34.3 | Very low | 193 Ų | 193 | 167.3 Ų | 167.3 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | | | trans | 69.2 | 146.2 | -163.3 | -58.2 | 178.1 | -165.6 | 0 | 0 | 113.4 | | |
| 628 | E | 32.2 | Very low | 34.6 | Very low | 180 Ų | 180 | 167.4 Ų | 167.4 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | | | cis | -121.8 | 144.8 | 17.6 | -62.1 | 167.2 | 116.8 | 0 | 0 | 114.3 | | |
| 629 | Q | 34.1 | Very low | 34.5 | Very low | 200 Ų | 200 | 166.8 Ų | 166.8 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | | | trans | -133.3 | 70.6 | 150.6 | -82.2 | -164.8 | 6 | 0 | 0 | 109.1 | | |
| 630 | Q | 31.3 | Very low | 34.3 | Very low | 176 Ų | 176 | 163.1 Ų | 163.1 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | | | trans | -159 | 106 | 170.8 | -136.6 | 173.6 | -4.8 | 0 | 0 | 114.3 | | |
| 631 | E | 31 | Very low | 33.9 | Very low | 203 Ų | 203 | 163.7 Ų | 163.7 | 95% | 0.949 | 82% | 0.815 | S | S | * | * | | | trans | -136.9 | 111.6 | 147.3 | -82.8 | -157.8 | 149.8 | 0 | 0 | 109.2 | | |
| 632 | K | 39.2 | Very low | 33.6 | Very low | 174 Ų | 174 | 160.1 Ų | 160.1 | 76% | 0.757 | 81% | 0.809 | S | S | * | * | | | trans | -157.7 | 141.1 | 160.8 | -147.3 | -155.4 | 168.7 | -153.3 | 0 | 109.5 | | |
| 633 | E | 33.5 | Very low | 33.6 | Very low | 157 Ų | 157 | 158.5 Ų | 158.5 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | | | trans | 74.7 | 108.4 | 166.2 | -59.5 | 174 | -166.7 | 0 | 0 | 118.1 | | |
| 634 | E | 35.9 | Very low | 33.6 | Very low | 197 Ų | 197 | 160 Ų | 160 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | | | trans | -131.5 | 137.1 | 130.1 | -157.2 | -176.8 | -169.8 | 0 | 0 | 108.5 | | |
| 635 | E | 39.7 | Very low | 34.2 | Very low | 189 Ų | 189 | 161.3 Ų | 161.3 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | | | trans | -75.6 | 158.6 | 168.1 | -62.5 | -178.7 | 104.7 | 0 | 0 | 109.7 | | |
| 636 | G | 28 | Very low | 34.4 | Very low | 71 Ų | 71 | 165.2 Ų | 165.2 | 73% | 0.732 | 82% | 0.822 | S | S | * | * | | | cis | 132.4 | 132.6 | 10 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 637 | N | 29.3 | Very low | 34.7 | Very low | 152 Ų | 152 | 161.2 Ų | 161.2 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | | | trans | -158 | 96.9 | 175.3 | -136.6 | -13.5 | 0 | 0 | 0 | 115 | | |
| 638 | K | 38.3 | Very low | 34.8 | Very low | 172 Ų | 172 | 159.5 Ų | 159.5 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | | | trans | 49.5 | 121.3 | 133.8 | -68.6 | -168.2 | 173.4 | -158.7 | 0 | 123.1 | | |
| 639 | E | 34 | Very low | 35.1 | Very low | 166 Ų | 166 | 157 Ų | 157 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | | 88.5 | 143.7 | 117.2 | -163.4 | 170 | 171.8 | 0 | 0 | 119.2 | | |
| 640 | S | 34 | Very low | 35 | Very low | 111 Ų | 111 | 153.2 Ų | 153.2 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | 63.2 | 153.1 | -172.9 | 88.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 641 | D | 30.2 | Very low | 35.4 | Very low | 147 Ų | 147 | 152.8 Ų | 152.8 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | cis | -142.1 | 173.8 | -5.7 | -148.1 | -10.1 | 0 | 0 | 0 | 111.1 | | |
| 642 | E | 34.2 | Very low | 35.5 | Very low | 165 Ų | 165 | 149.2 Ų | 149.2 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | | | trans | -93.2 | 154 | -173.2 | 59.3 | -165.6 | 100 | 0 | 0 | 115.4 | | |
| 643 | V | 34.8 | Very low | 35.2 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | | | trans | 68.1 | 106.8 | 166.3 | -166.1 | 0 | 0 | 0 | 0 | 117.9 | | |
| 644 | Q | 35.9 | Very low | 35.4 | Very low | 177 Ų | 177 | 144.7 Ų | 144.7 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | | | | -159.4 | 131.8 | 111.5 | -111.5 | 171.7 | -30.6 | 0 | 0 | 112.2 | | |
| 645 | M | 44.1 | Very low | 35.1 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | | | trans | -83.1 | 140.7 | 155.3 | -39.2 | -66.2 | 174 | 0 | 0 | 105.8 | | |
| 646 | D | 33.2 | Very low | 34.6 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | -141.8 | 157.9 | 154.9 | -141.7 | -12.1 | 0 | 0 | 0 | 113.2 | | |
| 647 | T | 41.7 | Very low | 34.6 | Very low | 107 Ų | 107 | 144.6 Ų | 144.6 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | | | trans | -100.3 | 134.1 | -167.3 | -16.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 648 | D | 35.8 | Very low | 34.6 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | | | trans | -166.9 | 103.2 | 153.1 | -87.8 | -34.6 | 0 | 0 | 0 | 102.6 | | |
| 649 | D | 38.2 | Very low | 34 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 68% | 0.684 | 78% | 0.778 | S | S | * | * | | | cis | 57 | 90.1 | 44.7 | -157.2 | 11.1 | 0 | 0 | 0 | 112.9 | | |
| 650 | C | 33.5 | Very low | 33.7 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -148.4 | 73.6 | 172.6 | -91.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 651 | E | 38.1 | Very low | 33.4 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | 36.3 | 113.3 | 137.5 | -72.1 | -70.4 | 173.2 | 0 | 0 | 118.4 | | |
| 652 | V | 32.9 | Very low | 33.3 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | -68.7 | 134.8 | 168.3 | 166.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 653 | C | 34.8 | Very low | 33.2 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 75% | 0.75 | 78% | 0.778 | S | S | * | * | | | trans | 17 | 143.6 | 156.2 | -55 | 0 | 0 | 0 | 0 | 120.2 | | |
| 654 | P | 37.9 | Very low | 33.1 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | | -143.6 | 127.2 | 114.2 | 34.3 | -20.4 | 0 | 0 | 0 | 115.7 | | |
| 655 | E | 28.9 | Very low | 32.9 | Very low | 152 Ų | 152 | 143.2 Ų | 143.2 | 71% | 0.71 | 78% | 0.782 | S | S | * | * | | | trans | -148 | 135 | 144.5 | -90.4 | -144.1 | 116.4 | 0 | 0 | 112 | | |
| 656 | K | 29.6 | Very low | 32.2 | Very low | 167 Ų | 167 | 138.7 Ų | 138.7 | 73% | 0.726 | 77% | 0.768 | S | S | * | * | | | trans | 75.6 | 48.5 | 150.9 | -64.8 | 159.9 | -176.1 | 147.9 | 0 | 119.9 | | |
| 657 | T | 26.9 | Very low | 32.2 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | | | trans | -137.7 | 146 | 135.6 | 52.7 | 0 | 0 | 0 | 0 | 107.3 | | |
| 658 | E | 28.9 | Very low | 31.9 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | | | cis | -119.1 | -149.7 | 0.1 | -57.1 | 174.2 | 102.5 | 0 | 0 | 109.9 | | |
| 659 | T | 27 | Very low | 31.6 | Very low | 127 Ų | 127 | 139 Ų | 139 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | | | cis | -153 | 142.5 | 46.1 | -44.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 660 | Q | 27.4 | Very low | 31.5 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | | | trans | -122.1 | 118.9 | 153.9 | -92.2 | -95.4 | 71.4 | 0 | 0 | 109.3 | | |
| 661 | L | 27 | Very low | 31.2 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | | | trans | 57.9 | 114.6 | 157 | -49.3 | 178.8 | 0 | 0 | 0 | 119 | | |
| 662 | S | 28.3 | Very low | 31 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | -108.6 | 133.3 | 152.6 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 663 | D | 31.7 | Very low | 30.9 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | | | trans | -86.3 | 140.2 | 176.2 | -80.7 | -45.5 | 0 | 0 | 0 | 112.5 | | |
| 664 | N | 32.6 | Very low | 30.8 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | 62.1 | 154.5 | 169.3 | -61 | -20.6 | 0 | 0 | 0 | 116.7 | | |
| 665 | D | 32.5 | Very low | 30.5 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | | | cis | -143.4 | 173 | 10.4 | -168.9 | 18 | 0 | 0 | 0 | 111.9 | | |
| 666 | S | 29.6 | Very low | 30.7 | Very low | 83 Ų | 83 | 137 Ų | 137 | 58% | 0.58 | 75% | 0.754 | S | S | * | * | | | trans | 85.4 | 101.1 | 157.9 | -155.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 667 | T | 33.9 | Very low | 30.7 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 64% | 0.644 | 76% | 0.76 | S | S | * | * | | | trans | 68.1 | 116.8 | 132.8 | 56.6 | 0 | 0 | 0 | 0 | 122.2 | | |
| 668 | K | 35.3 | Very low | 31 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | | | | 51.9 | 128.9 | 122.6 | -58.1 | 175.8 | -173.2 | 174.5 | 0 | 118 | | |
| 669 | D | 29.5 | Very low | 31.1 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | cis | -160.2 | 167.9 | 46.3 | -103.1 | -38.3 | 0 | 0 | 0 | 112.6 | | |
| 670 | L | 34.7 | Very low | 31.7 | Very low | 150 Ų | 150 | 136.1 Ų | 136.1 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | trans | 28.9 | 139.8 | 139.2 | -56 | 175.3 | 0 | 0 | 0 | 120.3 | | |
| 671 | S | 28.4 | Very low | 31.6 | Very low | 89 Ų | 89 | 133 Ų | 133 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | | | cis | 176.3 | 143.8 | 10.7 | 41.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 672 | L | 33.7 | Very low | 31.7 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | | | trans | 59.4 | 148.8 | 148.5 | -52.7 | 167.6 | 0 | 0 | 0 | 118.2 | | |
| 673 | D | 29.4 | Very low | 31.7 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | cis | -165.1 | -173.9 | -6.1 | -113.5 | -16.6 | 0 | 0 | 0 | 109.6 | | |
| 674 | V | 34.6 | Very low | 31.7 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | | | trans | 93.9 | 97.1 | 164.3 | -168.9 | 0 | 0 | 0 | 0 | 118.1 | | |
| 675 | D | 30.6 | Very low | 32 | Very low | 155 Ų | 155 | 136.3 Ų | 136.3 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | | | | 28.3 | 145.7 | 122.1 | -81.9 | -39.9 | 0 | 0 | 0 | 122.1 | | |
| 676 | A | 33.3 | Very low | 31.8 | Very low | 79 Ų | 79 | 137.2 Ų | 137.2 | 65% | 0.653 | 75% | 0.749 | S | S | * | * | | | cis | -157.4 | 169.2 | 3.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 677 | E | 29.7 | Very low | 32.2 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | | | trans | -7.1 | 136.5 | 162 | -48.9 | 179.6 | 114.3 | 0 | 0 | 117.7 | | |
| 678 | T | 32.6 | Very low | 32.5 | Very low | 135 Ų | 135 | 142 Ų | 142 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | | | | -167.9 | 149.1 | 58.8 | -53.8 | 0 | 0 | 0 | 0 | 112 | | |
| 679 | Q | 31.3 | Very low | 32.3 | Very low | 173 Ų | 173 | 142.4 Ų | 142.4 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | | | trans | -118.2 | 175.3 | 171.7 | -113.1 | -150.9 | 48.2 | 0 | 0 | 110 | | |
| 680 | P | 39.2 | Very low | 32.3 | Very low | 102 Ų | 102 | 144.1 Ų | 144.1 | 66% | 0.662 | 78% | 0.782 | S | S | * | * | | | cis | -141.8 | -178.4 | 15.3 | 38.4 | -17.3 | 0 | 0 | 0 | 117.8 | | |
| 681 | S | 24.8 | Very low | 32.1 | Very low | 97 Ų | 97 | 146.2 Ų | 146.2 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | 98.4 | 140.3 | 132.7 | -119.1 | 0 | 0 | 0 | 0 | 123.2 | | |
| 682 | Q | 30.5 | Very low | 32.1 | Very low | 182 Ų | 182 | 149.6 Ų | 149.6 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | | | trans | 69 | 152.1 | 157.5 | -62.2 | -175.8 | 2.3 | 0 | 0 | 120 | | |
| 683 | K | 27.3 | Very low | 32.2 | Very low | 191 Ų | 191 | 149.6 Ų | 149.6 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | | | cis | -167.5 | 125.3 | -37 | -165.3 | 176.8 | -176.3 | -174.8 | 0 | 107.4 | | |
| 684 | N | 31.3 | Very low | 32.2 | Very low | 140 Ų | 140 | 150.4 Ų | 150.4 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | | | trans | -90.7 | 139 | 179.4 | -159.3 | 27.8 | 0 | 0 | 0 | 112 | | |
| 685 | P | 39.1 | Very low | 32 | Very low | 114 Ų | 114 | 155.9 Ų | 155.9 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | | | trans | -113.6 | 125.2 | 165.2 | 35 | -22.9 | 0 | 0 | 0 | 111.9 | | |
| 686 | E | 28.5 | Very low | 31.8 | Very low | 175 Ų | 175 | 151.6 Ų | 151.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -114.1 | 152 | 178 | -167.2 | 162.4 | -162.9 | 0 | 0 | 110 | | |
| 687 | L | 38.4 | Very low | 31.5 | Very low | 169 Ų | 169 | 156.1 Ų | 156.1 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | | | trans | -94.7 | 148.5 | -177.3 | -67.6 | 171.2 | 0 | 0 | 0 | 111.2 | | |
| 688 | P | 40 | Very low | 31.8 | Very low | 119 Ų | 119 | 153.1 Ų | 153.1 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | | | trans | -116.3 | 162.6 | 159.4 | 37.5 | -28.7 | 0 | 0 | 0 | 113.5 | | |
| 689 | E | 30.8 | Very low | 32 | Very low | 192 Ų | 192 | 152.5 Ų | 152.5 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | | | trans | -66.5 | 175 | -178.7 | -68.6 | 151.6 | 110.5 | 0 | 0 | 115 | | |
| 690 | I | 29.5 | Very low | 31.8 | Very low | 168 Ų | 168 | 152.4 Ų | 152.4 | 86% | 0.862 | 81% | 0.811 | S | S | * | * | | | trans | -114.9 | 117.1 | 173.2 | -60.2 | 173.5 | 0 | 0 | 0 | 108.7 | | |
| 691 | E | 30.4 | Very low | 31.3 | Very low | 194 Ų | 194 | 157.8 Ų | 157.8 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | | | trans | -120.5 | 152.2 | 162.2 | -163.5 | 175 | -148.8 | 0 | 0 | 109.5 | | |
| 692 | M | 30 | Very low | 31.5 | Very low | 159 Ų | 159 | 160.2 Ų | 160.2 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | | | trans | -99.9 | 151.8 | -172.1 | -67.6 | 163.7 | 45.9 | 0 | 0 | 111.7 | | |
| 693 | I | 34 | Very low | 31.2 | Very low | 151 Ų | 151 | 158.1 Ų | 158.1 | 77% | 0.774 | 81% | 0.809 | S | S | * | * | | | | 166.8 | 119.5 | 126 | -87.3 | 161.1 | 0 | 0 | 0 | 114.1 | | |
| 694 | L | 31 | Very low | 31.1 | Very low | 153 Ų | 153 | 154.7 Ų | 154.7 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | | | trans | 65.7 | 144.4 | 152 | -69 | 171.9 | 0 | 0 | 0 | 124.4 | | |
| 695 | R | 29.4 | Very low | 30.8 | Very low | 244 Ų | 244 | 155.4 Ų | 155.4 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | | | trans | 81.5 | 126.7 | 157.6 | -138.4 | -173.6 | -47.5 | -105.7 | -0.6 | 116.1 | | |
| 696 | G | 27.2 | Very low | 30.1 | Very low | 66 Ų | 66 | 158 Ų | 158 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | | | cis | 178.5 | -179.8 | -5.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 697 | D | 27.5 | Very low | 30.5 | Very low | 174 Ų | 174 | 153.9 Ų | 153.9 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | | | trans | 72.3 | 161.7 | 172.1 | -63.7 | -21.7 | 0 | 0 | 0 | 120.6 | | |
| 698 | S | 34.2 | Very low | 30 | Very low | 117 Ų | 117 | 153.6 Ų | 153.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -125.7 | 163.7 | -153 | -79.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 699 | P | 38 | Very low | 29.9 | Very low | 122 Ų | 122 | 152.6 Ų | 152.6 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | | | trans | -89.9 | 161.9 | -170.3 | 36 | -37.5 | 0 | 0 | 0 | 115.6 | | |
| 700 | I | 25.8 | Very low | 29.6 | Very low | 171 Ų | 171 | 150.2 Ų | 150.2 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | | | trans | -125.3 | 156 | 170 | -70.6 | -179.2 | 0 | 0 | 0 | 110.3 | | |
| 701 | R | 28.7 | Very low | 29.5 | Very low | 215 Ų | 215 | 146.8 Ų | 146.8 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | | | trans | -116.7 | 168.4 | -166.6 | -74 | -176.3 | 175.4 | -125.4 | 3.3 | 114 | | |
| 702 | H | 30.4 | Very low | 29.2 | Very low | 149 Ų | 149 | 144 Ų | 144 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | | | trans | 72.4 | 158.4 | 152.4 | -83.3 | -144.7 | 0 | 0 | 0 | 117.4 | | |
| 703 | E | 24.5 | Very low | 29.1 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 65% | 0.645 | 76% | 0.761 | S | S | * | * | | | cis | -148.7 | 173.1 | 2 | -146.4 | 162 | 109 | 0 | 0 | 113.1 | Q705 | E703-Q705 PolarHBondContact OE1-NE2 3.1Š|
| 704 | C | 25.3 | Very low | 28.7 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | | | trans | -130.5 | 138.8 | 167.8 | -65.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 705 | Q | 24.9 | Very low | 28.7 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | | | trans | 177.1 | 157.5 | 167.3 | -97 | 145.5 | 96.3 | 0 | 0 | 106.9 | E703 | E703-Q705 PolarHBondContact OE1-NE2 3.1Š|
| 706 | E | 24.5 | Very low | 28.7 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | | | cis | -162.2 | 179.3 | -14.8 | -104.1 | -75.9 | 86.7 | 0 | 0 | 105.7 | | |
| 707 | P | 36.6 | Very low | 28.9 | Very low | 89 Ų | 89 | 142.4 Ų | 142.4 | 58% | 0.578 | 77% | 0.774 | S | S | * | * | | | trans | -123.8 | -159.5 | -147.4 | 33.5 | -11.1 | 0 | 0 | 0 | 116.3 | | |
| 708 | E | 28 | Very low | 28.9 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | | | trans | 74.8 | 167.3 | 165.7 | -61.7 | -53.9 | 98.3 | 0 | 0 | 119.1 | | |
| 709 | P | 38.3 | Very low | 28.6 | Very low | 98 Ų | 98 | 143.5 Ų | 143.5 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | cis | -137.1 | 156.9 | -42.9 | 35.2 | -20.4 | 0 | 0 | 0 | 115.2 | | |
| 710 | N | 24.6 | Very low | 28.3 | Very low | 141 Ų | 141 | 143.5 Ų | 143.5 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | | | trans | 178.3 | 157 | 150.8 | 39.1 | 47.4 | 0 | 0 | 0 | 113.1 | | |
| 711 | S | 25.4 | Very low | 28.5 | Very low | 96 Ų | 96 | 141.5 Ų | 141.5 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | | | cis | -177.5 | 160.7 | -29.3 | 58.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 712 | T | 24.8 | Very low | 28.8 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | | | trans | 72.1 | 151.1 | 171 | 68.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 713 | A | 28.5 | Very low | 28.5 | Very low | 83 Ų | 83 | 135.1 Ų | 135.1 | 69% | 0.686 | 75% | 0.754 | S | S | * | * | | | cis | -163.8 | 172.1 | -16.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 714 | D | 25.9 | Very low | 28.5 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | 51.3 | 111.4 | 157.5 | -77.9 | -52.4 | 0 | 0 | 0 | 122.8 | | |
| 715 | S | 30.9 | Very low | 28.6 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | | | | -160.9 | 154.8 | 109 | 29.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 716 | K | 28.8 | Very low | 28.7 | Very low | 188 Ų | 188 | 135.9 Ų | 135.9 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | | | trans | -73.1 | 150.7 | -165.1 | -56.2 | 178 | 173.4 | -169.1 | 0 | 115.3 | | |
| 717 | M | 30.6 | Very low | 29.1 | Very low | 187 Ų | 187 | 135.4 Ų | 135.4 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | | | | -151.7 | 161.5 | 108.3 | 68 | -176.3 | -168.8 | 0 | 0 | 112 | | |
| 718 | E | 29.1 | Very low | 28.7 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | -87.8 | 176.4 | -179.6 | -65.6 | 158.3 | 149.8 | 0 | 0 | 109.5 | | |
| 719 | E | 27.3 | Very low | 28.8 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | | | cis | -159.8 | 174.3 | 20.6 | -158.6 | -173.4 | 101.5 | 0 | 0 | 110.2 | | |
| 720 | N | 30.9 | Very low | 28.5 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 66% | 0.658 | 78% | 0.782 | S | S | * | * | | | trans | 65.8 | 101.1 | 168.6 | -63.5 | -58.9 | 0 | 0 | 0 | 117.7 | | |
| 721 | V | 30.9 | Very low | 28.8 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | | | | 75.4 | 93.5 | 53.4 | -172.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 722 | S | 34.5 | Very low | 28.8 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | | | trans | -151.4 | 133.9 | 133.5 | -171.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 723 | S | 24.6 | Very low | 29.2 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | | | trans | -135.7 | 138.6 | -156.7 | 56.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 724 | C | 24.3 | Very low | 29.2 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | | | trans | 62 | 165 | 163.9 | -114.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 725 | C | 27.3 | Very low | 29.3 | Very low | 107 Ų | 107 | 147.1 Ų | 147.1 | 72% | 0.723 | 80% | 0.795 | S | S | * | * | | | cis | -121.8 | 174.3 | 10.9 | -67.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 726 | K | 28 | Very low | 29.2 | Very low | 197 Ų | 197 | 148.1 Ų | 148.1 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | | | cis | -154.5 | 144.9 | 32.8 | -60.1 | 159.8 | -173.8 | 168 | 0 | 112.6 | | |
| 727 | D | 32.5 | Very low | 29.3 | Very low | 158 Ų | 158 | 148.3 Ų | 148.3 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | | | | -148.6 | -176.6 | 129 | -147.3 | -27.8 | 0 | 0 | 0 | 109 | | |
| 728 | V | 28.5 | Very low | 29.3 | Very low | 118 Ų | 118 | 148.9 Ų | 148.9 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | | | trans | 89.9 | 127.4 | 172.1 | -175 | 0 | 0 | 0 | 0 | 117.6 | | |
| 729 | R | 30.1 | Very low | 29.3 | Very low | 228 Ų | 228 | 146.5 Ų | 146.5 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | 82.3 | 134.9 | 163.7 | -150.2 | -178.4 | -52.7 | -102.1 | -2.1 | 116.6 | | |
| 730 | G | 31.5 | Very low | 29.4 | Very low | 65 Ų | 65 | 148.2 Ų | 148.2 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | | | cis | 137.8 | 117.8 | -14.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 731 | Q | 29.7 | Very low | 29.3 | Very low | 184 Ų | 184 | 146.7 Ų | 146.7 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -139.2 | 153.7 | 156.2 | -78.6 | -157.2 | 57.9 | 0 | 0 | 110.6 | | |
| 732 | T | 27.1 | Very low | 29.5 | Very low | 128 Ų | 128 | 151.6 Ų | 151.6 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | 48.9 | 79.6 | 160.5 | 53.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 733 | A | 32.1 | Very low | 29.3 | Very low | 94 Ų | 94 | 152.2 Ų | 152.2 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | | | | 29 | 146.5 | 124.2 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 734 | Q | 27.6 | Very low | 29.5 | Very low | 166 Ų | 166 | 153.2 Ų | 153.2 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | 76.2 | 107.5 | 165.4 | -57.5 | -153.6 | 39.8 | 0 | 0 | 116.3 | | |
| 735 | R | 28.9 | Very low | 30.1 | Very low | 225 Ų | 225 | 154.7 Ų | 154.7 | 85% | 0.849 | 78% | 0.776 | S | S | * | * | | | | 66.8 | 115.3 | 82.7 | -77.2 | 174.5 | 56.6 | 167.6 | -4.1 | 113.9 | | |
| 736 | V | 29.2 | Very low | 30.1 | Very low | 147 Ų | 147 | 158.6 Ų | 158.6 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | | | | -159.5 | 163.6 | 113.9 | 141.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 737 | K | 31.4 | Very low | 30.5 | Very low | 192 Ų | 192 | 155.4 Ų | 155.4 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | | | trans | -92.2 | 179.6 | -176 | -54.4 | 172.8 | 178.6 | -179.6 | 0 | 111.4 | | |
| 738 | K | 28.9 | Very low | 30.6 | Very low | 199 Ų | 199 | 156.5 Ų | 156.5 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | | | trans | 89.2 | 144.7 | 141 | -163.4 | -173.2 | -176.4 | -174.2 | 0 | 116.6 | | |
| 739 | V | 30 | Very low | 30.7 | Very low | 110 Ų | 110 | 158.8 Ų | 158.8 | 67% | 0.667 | 78% | 0.781 | S | S | * | * | | | cis | -172.7 | 161.1 | -33.9 | 83.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 740 | K | 30.2 | Very low | 30.8 | Very low | 189 Ų | 189 | 156.1 Ų | 156.1 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | 70.1 | 155.8 | 165 | -82.6 | 178.1 | 179.9 | -176.4 | 0 | 116.7 | | |
| 741 | S | 28.3 | Very low | 30.9 | Very low | 92 Ų | 92 | 160.9 Ų | 160.9 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | | | cis | -167.5 | 150.5 | -5.5 | 38.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 742 | R | 34.7 | Very low | 31 | Very low | 231 Ų | 231 | 158.9 Ų | 158.9 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | | | trans | 72.8 | 139.3 | 156.2 | -70.1 | 170.1 | 178.7 | -167 | -4.3 | 116.8 | | |
| 743 | K | 29.3 | Very low | 31.2 | Very low | 143 Ų | 143 | 164.3 Ų | 164.3 | 62% | 0.622 | 79% | 0.787 | S | S | * | * | | | | 71.2 | 134.9 | 54.8 | -120.2 | -169.7 | 173.4 | -82 | 0 | 110.5 | | |
| 744 | D | 30.5 | Very low | 31.2 | Very low | 120 Ų | 120 | 165 Ų | 165 | 64% | 0.642 | 79% | 0.785 | S | S | * | * | | | cis | -126.2 | 153 | 17.2 | -67.7 | -89.7 | 0 | 0 | 0 | 110.7 | | |
| 745 | Q | 36.1 | Very low | 31.7 | Very low | 155 Ų | 155 | 164.6 Ų | 164.6 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | | | | 64.7 | 93.1 | 55.4 | -168.6 | -176.8 | 2.9 | 0 | 0 | 115.2 | | |
| 746 | E | 27.2 | Very low | 31.7 | Very low | 190 Ų | 190 | 162.8 Ų | 162.8 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | | | trans | -153.1 | 162 | 133.6 | -165.2 | 144.9 | -139.1 | 0 | 0 | 109 | | |
| 747 | V | 36.4 | Very low | 31.7 | Very low | 130 Ų | 130 | 166 Ų | 166 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | | | trans | -142.9 | 127.4 | -178.8 | -154.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 748 | E | 33.9 | Very low | 31.7 | Very low | 181 Ų | 181 | 161.7 Ų | 161.7 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -154.1 | 159.4 | 159.2 | -115.5 | -53.1 | 113 | 0 | 0 | 108.6 | | |
| 749 | K | 31.1 | Very low | 31.6 | Very low | 165 Ų | 165 | 160.7 Ų | 160.7 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | | | trans | -112.5 | 137.5 | -156.5 | -155 | -174.7 | 176.5 | -147.8 | 0 | 113 | | |
| 750 | M | 32.1 | Very low | 31.5 | Very low | 173 Ų | 173 | 160.8 Ų | 160.8 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | | | trans | -81.2 | 128.5 | 177.7 | 53.4 | 173.1 | -77.4 | 0 | 0 | 112.9 | | |
| 751 | E | 34.1 | Very low | 31.8 | Very low | 165 Ų | 165 | 157.2 Ų | 157.2 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | | | trans | -153.5 | 90.7 | 157.7 | -104.8 | 151.2 | -146.1 | 0 | 0 | 105.5 | | |
| 752 | D | 30.6 | Very low | 32.1 | Very low | 141 Ų | 141 | 160.4 Ų | 160.4 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | | 83 | 107.1 | 97.5 | -170.2 | 25.3 | 0 | 0 | 0 | 113.8 | | |
| 753 | R | 32.6 | Very low | 32.2 | Very low | 243 Ų | 243 | 157.5 Ų | 157.5 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | | | trans | -146.4 | 111.1 | 159 | -166.1 | 171.1 | -179.3 | -174 | -0.4 | 108.4 | | |
| 754 | S | 32.7 | Very low | 32.8 | Very low | 107 Ų | 107 | 159.3 Ų | 159.3 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | | | trans | -73.4 | 162.9 | -169.9 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 755 | L | 36.6 | Very low | 33.2 | Very low | 159 Ų | 159 | 157.8 Ų | 157.8 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | | | trans | -87.1 | 142 | -169.5 | -59.7 | 163.4 | 0 | 0 | 0 | 112.2 | | |
| 756 | Q | 29.9 | Very low | 33.1 | Very low | 186 Ų | 186 | 154.8 Ų | 154.8 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | | | | 164 | 165.4 | 121 | -88.5 | 172.3 | -81 | 0 | 0 | 111.3 | | |
| 757 | R | 29.2 | Very low | 33.4 | Very low | 216 Ų | 216 | 152.2 Ų | 152.2 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | | | cis | 177.4 | 149.4 | -42.8 | -176.4 | 175.1 | 179.2 | 168.9 | 1.3 | 107.4 | | |
| 758 | S | 30.8 | Very low | 33.7 | Very low | 100 Ų | 100 | 151.3 Ų | 151.3 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | | | trans | 69.5 | 116.4 | 157.4 | 42.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 759 | E | 27.6 | Very low | 34 | Very low | 178 Ų | 178 | 148 Ų | 148 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -49.6 | 167.5 | 141.3 | -57.2 | 146.1 | 99.3 | 0 | 0 | 111.3 | | |
| 760 | C | 26.7 | Very low | 34.6 | Very low | 112 Ų | 112 | 148 Ų | 148 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | | | cis | -165.1 | -177.4 | 19.3 | -135.1 | 0 | 0 | 0 | 0 | 106.7 | | |
| 761 | P | 37.7 | Very low | 35.5 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | | | cis | -128 | 178.4 | -7 | 42.2 | -26.6 | 0 | 0 | 0 | 114.8 | | |
| 762 | E | 33.5 | Very low | 36.6 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | trans | -66.9 | 148 | 177 | -175.8 | 173.7 | -177.5 | 0 | 0 | 114.5 | | |
| 763 | L | 37 | Very low | 38.2 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | | | trans | -124.8 | 116.4 | 157.9 | -76.3 | 178.5 | 0 | 0 | 0 | 107.4 | A765 | L763-A765 PolarHBondContact O-N 3.19Å; L763-A765 VanDerWaalsContact O-N 3.09Å |
| 764 | E | 43.3 | Very low | 40.5 | Very low | 180 Ų | 180 | 134 Ų | 134 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | | | trans | -61 | 112.7 | -178.3 | -69.7 | -170.6 | 172.7 | 0 | 0 | 111.7 | | |
| 765 | A | 37.6 | Very low | 43.2 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | | | trans | -91.7 | 127.2 | 152.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | L763 V767 | L763-A765 PolarHBondContact O-N 3.19Å; L763-A765 VanDerWaalsContact O-N 3.09Å; A765-V767 PolarHBondContact O-N 3.06Å |
| 766 | A | 34.4 | Very low | 45.9 | Very low | 92 Ų | 92 | 128.1 Ų | 128.1 | 76% | 0.76 | 73% | 0.729 | S | S | * | * | | | trans | -55.4 | 127.2 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113 | V768 | A766-V768 PolarHBondContact O-N 2.77Š|
| 767 | V | 32.6 | Very low | 49 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | | | trans | -65.3 | 94.9 | 174.1 | -179.4 | 0 | 0 | 0 | 0 | 109.4 | A765 | A765-V767 PolarHBondContact O-N 3.06Š|
| 768 | V | 43.8 | Very low | 52.1 | Low | 111 Ų | 111 | 114.4 Ų | 114.4 | 67% | 0.673 | 68% | 0.678 | S | S | * | * | | | trans | -62.8 | 127.3 | 154 | -180 | 0 | 0 | 0 | 0 | 106.1 | A766 H770 | A766-V768 PolarHBondContact O-N 2.77Å; V768-H770 PolarHBondContact O-N 2.58Å |
| 769 | P | 39.7 | Very low | 54.9 | Low | 112 Ų | 112 | 115.4 Ų | 115.4 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | | | trans | -60.4 | 113.5 | 170.5 | -19.4 | 31.9 | 0 | 0 | 0 | 107.9 | S771 | P769-S771 PolarHBondContact O-N 3.47Š|
| 770 | H | 43.8 | Very low | 58 | Low | 166 Ų | 166 | 112 Ų | 112 | 77% | 0.769 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 126.1 | 167.7 | -75.9 | -113.1 | 0 | 0 | 0 | 106.9 | V768 | V768-H770 PolarHBondContact O-N 2.58Š|
| 771 | S | 51.1 | Low | 61.2 | Low | 93 Ų | 93 | 109.2 Ų | 109.2 | 65% | 0.65 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 141.7 | 166.4 | 47.1 | 0 | 0 | 0 | 0 | 108.2 | P769 E773 | P769-S771 PolarHBondContact O-N 3.47Å; S771-E773 PolarHBondContact O-N 3.08Å |
| 772 | P | 56.7 | Low | 63.7 | Low | 125 Ų | 125 | 111.8 Ų | 111.8 | 81% | 0.812 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 123.4 | 173.1 | 24.3 | -33.5 | 0 | 0 | 0 | 108.1 | A774 | P772-A774 PolarHBondContact O-N 3.17Š|
| 773 | E | 65.3 | Low | 66.4 | Low | 139 Ų | 139 | 105.3 Ų | 105.3 | 65% | 0.65 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 131.1 | -178.3 | -65.2 | 179.9 | 156.6 | 0 | 0 | 107.9 | S771 S775 | S771-E773 PolarHBondContact O-N 3.08Å; E773-S775 PolarHBondContact O-N 3.32Å |
| 774 | A | 80 | Confident | 69 | Low | 69 Ų | 69 | 101 Ų | 101 | 57% | 0.57 | 61% | 0.613 | S | S | * | * | | | trans | -66.6 | 103.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | P772 A787 | P772-A774 PolarHBondContact O-N 3.17Å; A774-A787 WeakPolarHBondContact O-CB 3.35Å; A774-A787 PolarHBondContact O-N 3.15Å |
| 775 | S | 89.6 | Confident | 71.4 | Confident | 81 Ų | 81 | 94.9 Ų | 94.9 | 57% | 0.566 | 58% | 0.583 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.4 | 130.5 | 170.5 | 55.5 | 0 | 0 | 0 | 0 | 109.2 | E773 F785 | E773-S775 PolarHBondContact O-N 3.32Å; S775-F785 CarbonylContact C-O 3.58Å; S775-F785 VanDerWaalsContact CA-O 3.3Å; S775-F785 WeakPolarHBondContact CA-O 3.38Å |
| 776 | V | 93.1 | Very high | 74.1 | Confident | 63 Ų | 63 | 92.1 Ų | 92.1 | 38% | 0.382 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.5 | 174 | -176.2 | 0 | 0 | 0 | 0 | 107.1 | F785 A787 I790 | V776-F785 PolarHBondContact N-O 3.43Å; V776-F785 PolarHBondContact O-N 3.35Å; V776-A787 HydrophobicContact CG2-CB 4.37Å; V776-I790 HydrophobicContact CB-CB 4.3Å; V776-I790 HydrophobicContact CB-CD1 4.45Å; V776-I790 HydrophobicContact CB-CG1 4.01Å; V776-I790 HydrophobicContact CB-CG2 4.39Å; V776-I790 HydrophobicContact CG1-CD1 4.38Å; V776-I790 HydrophobicContact CG1-CG1 3.95Å |
| 777 | D | 95.6 | Very high | 76.7 | Confident | 106 Ų | 106 | 90.6 Ų | 90.6 | 57% | 0.567 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 130.3 | -179.6 | -55.1 | -29.6 | 0 | 0 | 0 | 109.6 | G783 S784 | D777-G783 WeakPolarHBondContact CA-O 3.21Å; D777-S784 WeakPolarHBondContact OD1-CB 3.29Å |
| 778 | C | 93.7 | Very high | 79.5 | Confident | 7 Ų | 7 | 88.2 Ų | 88.2 | 5% | 0.047 | 53% | 0.534 | C | S | . | . | | | trans | -72.7 | 125 | 175.6 | -176.4 | 0 | 0 | 0 | 0 | 110 | L780 Q782 G783 F785 I790 H793 | C778-L780 PolarHBondContact O-N 2.82Å; C778-Q782 WeakPolarHBondContact O-CA 3.24Å; C778-Q782 PolarHBondContact O-N 2.84Å; C778-G783 PolarHBondContact N-O 2.92Å; C778-F785 HydrophobicContact CB-CD2 4.36Å; C778-F785 HydrophobicContact CB-CE2 4.15Å; C778-I790 HydrophobicContact CB-CD1 4.25Å; C778-H793 VanDerWaalsContact CB-NE2 3.35Å; C778-H793 WeakPolarHBondContact CB-NE2 3.47Å; C778-H793 PolarHBondContact SG-NE2 2.71Å |
| 779 | P | 90.5 | Very high | 81.7 | Confident | 122 Ų | 122 | 87.9 Ų | 87.9 | 79% | 0.792 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -9.1 | -177.5 | 30.3 | -36.6 | 0 | 0 | 0 | 114 | | |
| 780 | L | 92.1 | Very high | 84.3 | Confident | 107 Ų | 107 | 84.2 Ų | 84.2 | 56% | 0.56 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -79.7 | 174.9 | -54.4 | 176.9 | 0 | 0 | 0 | 109.1 | C778 Q782 C797 G799 | C778-L780 PolarHBondContact O-N 2.82Å; L780-Q782 VanDerWaalsContact C-N 3.27Å; L780-Q782 PolarHBondContact O-N 3.16Å; L780-C797 HydrophobicContact CD1-CB 4.28Å; L780-G799 VanDerWaalsContact C-OXT 3.25Å; L780-G799 VanDerWaalsContact CB-OXT 3.28Å; L780-G799 WeakPolarHBondContact CB-OXT 3.1Å |
| 781 | C | 93.1 | Very high | 86.7 | Confident | 52 Ų | 52 | 84 Ų | 84 | 35% | 0.351 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -6.7 | -173.9 | 73.6 | 0 | 0 | 0 | 0 | 115.2 | G783 H793 G799 | C781-G783 PolarHBondContact O-N 3.35Å; C781-G783 VanDerWaalsContact O-N 3.1Å; C781-G783 PolarHBondContact SG-N 2.82Å; C781-G783 VanDerWaalsContact SG-N 3.35Å; C781-H793 PolarHBondContact SG-CE1 3.35Å; C781-H793 PolarHBondContact SG-NE2 2.84Å; C781-G799 WeakPolarHBondContact CA-OXT 3.16Å; C781-G799 VanDerWaalsContact CB-OXT 3.25Å; C781-G799 WeakPolarHBondContact CB-OXT 3.34Å; C781-G799 PolarHBondContact N-OXT 3.43Å |
| 782 | Q | 91.2 | Very high | 88.7 | Confident | 169 Ų | 169 | 84.6 Ų | 84.6 | 79% | 0.79 | 49% | 0.493 | S | S | * | . | | | trans | 59.7 | 14.8 | -174.9 | -62.9 | 161.7 | 57.7 | 0 | 0 | 114.7 | C778 L780 | C778-Q782 WeakPolarHBondContact O-CA 3.24Å; C778-Q782 PolarHBondContact O-N 2.84Å; L780-Q782 VanDerWaalsContact C-N 3.27Å; L780-Q782 PolarHBondContact O-N 3.16Å |
| 783 | G | 89.6 | Confident | 90.5 | Very high | 23 Ų | 23 | 80.2 Ų | 80.2 | 24% | 0.237 | 46% | 0.462 | C | S | . | . | | | trans | -73.6 | 141.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | D777 C778 C781 F785 | D777-G783 WeakPolarHBondContact CA-O 3.21Å; C778-G783 PolarHBondContact N-O 2.92Å; C781-G783 PolarHBondContact O-N 3.35Å; C781-G783 VanDerWaalsContact O-N 3.1Å; C781-G783 PolarHBondContact SG-N 2.82Å; C781-G783 VanDerWaalsContact SG-N 3.35Å; G783-F785 VanDerWaalsContact C-CE2 3.46Å; G783-F785 VanDerWaalsContact O-CD2 3.25Å; G783-F785 WeakPolarHBondContact O-CD2 3.43Å; G783-F785 VanDerWaalsContact O-CE2 3.28Å; G783-F785 WeakPolarHBondContact O-CE2 3.49Å |
| 784 | S | 93.2 | Very high | 91.8 | Very high | 81 Ų | 81 | 76.8 Ų | 76.8 | 57% | 0.566 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 123.7 | 176.3 | 55.8 | 0 | 0 | 0 | 0 | 110.8 | D777 | D777-S784 WeakPolarHBondContact OD1-CB 3.29Å |
| 785 | F | 92.8 | Very high | 92.4 | Very high | 50 Ų | 50 | 76.9 Ų | 76.9 | 22% | 0.219 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 144.1 | -176 | -60.5 | -87.1 | 0 | 0 | 0 | 110.5 | S775 V776 C778 G783 I790 H793 | S775-F785 CarbonylContact C-O 3.58Å; S775-F785 VanDerWaalsContact CA-O 3.3Å; S775-F785 WeakPolarHBondContact CA-O 3.38Å; V776-F785 PolarHBondContact N-O 3.43Å; V776-F785 PolarHBondContact O-N 3.35Å; C778-F785 HydrophobicContact CB-CD2 4.36Å; C778-F785 HydrophobicContact CB-CE2 4.15Å; G783-F785 VanDerWaalsContact C-CE2 3.46Å; G783-F785 VanDerWaalsContact O-CD2 3.25Å; G783-F785 WeakPolarHBondContact O-CD2 3.43Å; G783-F785 VanDerWaalsContact O-CE2 3.28Å; G783-F785 WeakPolarHBondContact O-CE2 3.49Å; F785-I790 HydrophobicContact CB-CB 4.22Å; F785-I790 HydrophobicContact CB-CD1 4.15Å; F785-I790 HydrophobicContact CD2-CD1 3.99Å; F785-I790 HydrophobicContact CG-CD1 4.42Å; F785-H793 HydrophobicContact CD1-CB 4.04Å; F785-H793 HydrophobicContact CD2-CB 4.23Å; F785-H793 AromaticContact CD2-CD2 3.54Å; F785-H793 AromaticContact CD2-CG 3.79Å; F785-H793 HydrophobicContact CE1-CB 4.08Å; F785-H793 AromaticContact CE1-CG 3.79Å; F785-H793 AromaticContact CE1-ND1 3.84Å; F785-H793 HydrophobicContact CE2-CB 4.28Å; F785-H793 AromaticContact CE2-CD2 3.19Å; F785-H793 WeakPolarHBondContact CE2-CD2 3.4Å; F785-H793 AromaticContact CE2-CE1 3.66Å; F785-H793 AromaticContact CE2-CG 3.43Å; F785-H793 VanDerWaalsContact CE2-CG 3.43Å; F785-H793 AromaticContact CE2-ND1 3.71Å; F785-H793 AromaticContact CE2-NE2 3.35Å; F785-H793 VanDerWaalsContact CE2-NE2 3.35Å; F785-H793 WeakPolarHBondContact CE2-NE2 3.26Å; F785-H793 HydrophobicContact CG-CB 4.12Å; F785-H793 HydrophobicContact CZ-CB 4.22Å; F785-H793 AromaticContact CZ-CD2 3.69Å; F785-H793 AromaticContact CZ-CE1 3.53Å; F785-H793 AromaticContact CZ-CG 3.43Å; F785-H793 VanDerWaalsContact CZ-CG 3.43Å; F785-H793 AromaticContact CZ-ND1 3.34Å; F785-H793 VanDerWaalsContact CZ-ND1 3.34Å; F785-H793 WeakPolarHBondContact CZ-ND1 3.28Å; F785-H793 AromaticContact CZ-NE2 3.75Å |
| 786 | P | 93.7 | Very high | 92.6 | Very high | 31 Ų | 31 | 82.1 Ų | 82.1 | 20% | 0.201 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 149.3 | 172.6 | 28 | -33.6 | 0 | 0 | 0 | 110.1 | S788 E789 I790 | P786-S788 PolarHBondContact O-N 3.36Å; P786-E789 HydrophobicContact CG-CB 3.92Å; P786-E789 HydrophobicContact CG-CG 3.82Å; P786-E789 WeakPolarHBondContact CG-OE2 3.4Å; P786-E789 PolarHBondContact O-N 3.37Å; P786-I790 PolarHBondContact O-N 3.45Å; P786-I790 VanDerWaalsContact O-N 3.1Å |
| 787 | A | 90.6 | Very high | 92.6 | Very high | 60 Ų | 60 | 80.3 Ų | 80.3 | 50% | 0.496 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -13.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | A774 V776 | A774-A787 WeakPolarHBondContact O-CB 3.35Å; A774-A787 PolarHBondContact O-N 3.15Å; V776-A787 HydrophobicContact CG2-CB 4.37Å |
| 788 | S | 90.2 | Very high | 92.2 | Very high | 85 Ų | 85 | 83.3 Ų | 83.3 | 59% | 0.594 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -16.6 | 172.3 | 50.4 | 0 | 0 | 0 | 0 | 114.9 | P786 | P786-S788 PolarHBondContact O-N 3.36Š|
| 789 | E | 91.2 | Very high | 91.3 | Very high | 104 Ų | 104 | 86.2 Ų | 86.2 | 49% | 0.486 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | -18.6 | -175.7 | -63.5 | 179.5 | 173.7 | 0 | 0 | 112.9 | P786 E791 I792 H793 | P786-E789 HydrophobicContact CG-CB 3.92Å; P786-E789 HydrophobicContact CG-CG 3.82Å; P786-E789 WeakPolarHBondContact CG-OE2 3.4Å; P786-E789 PolarHBondContact O-N 3.37Å; E789-E791 PolarHBondContact O-N 2.93Å; E789-I792 WeakPolarHBondContact O-CB 3.11Å; E789-I792 PolarHBondContact O-N 3.32Å; E789-H793 PolarHBondContact O-N 3.41Å |
| 790 | I | 93.6 | Very high | 91.3 | Very high | 35 Ų | 35 | 84.5 Ų | 84.5 | 18% | 0.179 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -57 | -32.7 | 178.8 | -172.5 | 62.8 | 0 | 0 | 0 | 113.2 | V776 C778 F785 P786 A794 | V776-I790 HydrophobicContact CB-CB 4.3Å; V776-I790 HydrophobicContact CB-CD1 4.45Å; V776-I790 HydrophobicContact CB-CG1 4.01Å; V776-I790 HydrophobicContact CB-CG2 4.39Å; V776-I790 HydrophobicContact CG1-CD1 4.38Å; V776-I790 HydrophobicContact CG1-CG1 3.95Å; C778-I790 HydrophobicContact CB-CD1 4.25Å; F785-I790 HydrophobicContact CB-CB 4.22Å; F785-I790 HydrophobicContact CB-CD1 4.15Å; F785-I790 HydrophobicContact CD2-CD1 3.99Å; F785-I790 HydrophobicContact CG-CD1 4.42Å; P786-I790 PolarHBondContact O-N 3.45Å; P786-I790 VanDerWaalsContact O-N 3.1Å; I790-A794 VanDerWaalsContact O-CB 3.22Å; I790-A794 WeakPolarHBondContact O-CB 3.36Å; I790-A794 PolarHBondContact O-N 2.87Å |
| 791 | E | 93 | Very high | 91.3 | Very high | 163 Ų | 163 | 83.3 Ų | 83.3 | 76% | 0.762 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.5 | -44.1 | 174.4 | -176.9 | 176.8 | -168.2 | 0 | 0 | 111.7 | E789 A794 A795 | E789-E791 PolarHBondContact O-N 2.93Å; E791-A794 PolarHBondContact O-N 3.02Å; E791-A795 PolarHBondContact O-N 2.99Å |
| 792 | I | 93.9 | Very high | 91.2 | Very high | 104 Ų | 104 | 85 Ų | 85 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 177.2 | -55.7 | 174.4 | 0 | 0 | 0 | 109.7 | E789 A795 Y796 | E789-I792 WeakPolarHBondContact O-CB 3.11Å; E789-I792 PolarHBondContact O-N 3.32Å; I792-A795 PolarHBondContact O-N 3.24Å; I792-Y796 HydrophobicContact CG2-CD2 4.2Å; I792-Y796 HydrophobicContact CG2-CE2 4.25Å; I792-Y796 VanDerWaalsContact O-CD2 3.22Å; I792-Y796 WeakPolarHBondContact O-CD2 3.42Å |
| 793 | H | 94.7 | Very high | 91.2 | Very high | 34 Ų | 34 | 80.1 Ų | 80.1 | 16% | 0.157 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 176.9 | 172.3 | 62.2 | 0 | 0 | 0 | 111.8 | C778 C781 F785 E789 A795 Y796 C797 | C778-H793 VanDerWaalsContact CB-NE2 3.35Å; C778-H793 WeakPolarHBondContact CB-NE2 3.47Å; C778-H793 PolarHBondContact SG-NE2 2.71Å; C781-H793 PolarHBondContact SG-CE1 3.35Å; C781-H793 PolarHBondContact SG-NE2 2.84Å; F785-H793 HydrophobicContact CD1-CB 4.04Å; F785-H793 HydrophobicContact CD2-CB 4.23Å; F785-H793 AromaticContact CD2-CD2 3.54Å; F785-H793 AromaticContact CD2-CG 3.79Å; F785-H793 HydrophobicContact CE1-CB 4.08Å; F785-H793 AromaticContact CE1-CG 3.79Å; F785-H793 AromaticContact CE1-ND1 3.84Å; F785-H793 HydrophobicContact CE2-CB 4.28Å; F785-H793 AromaticContact CE2-CD2 3.19Å; F785-H793 WeakPolarHBondContact CE2-CD2 3.4Å; F785-H793 AromaticContact CE2-CE1 3.66Å; F785-H793 AromaticContact CE2-CG 3.43Å; F785-H793 VanDerWaalsContact CE2-CG 3.43Å; F785-H793 AromaticContact CE2-ND1 3.71Å; F785-H793 AromaticContact CE2-NE2 3.35Å; F785-H793 VanDerWaalsContact CE2-NE2 3.35Å; F785-H793 WeakPolarHBondContact CE2-NE2 3.26Å; F785-H793 HydrophobicContact CG-CB 4.12Å; F785-H793 HydrophobicContact CZ-CB 4.22Å; F785-H793 AromaticContact CZ-CD2 3.69Å; F785-H793 AromaticContact CZ-CE1 3.53Å; F785-H793 AromaticContact CZ-CG 3.43Å; F785-H793 VanDerWaalsContact CZ-CG 3.43Å; F785-H793 AromaticContact CZ-ND1 3.34Å; F785-H793 VanDerWaalsContact CZ-ND1 3.34Å; F785-H793 WeakPolarHBondContact CZ-ND1 3.28Å; F785-H793 AromaticContact CZ-NE2 3.75Å; E789-H793 PolarHBondContact O-N 3.41Å; H793-A795 PolarHBondContact O-N 3.04Å; H793-Y796 CarbonylContact O-C 3.52Å; H793-Y796 PolarHBondContact O-N 2.99Å; H793-C797 PolarHBondContact CE1-SG 2.77Å; H793-C797 PolarHBondContact NE2-SG 3.32Å; H793-C797 VanDerWaalsContact NE2-SG 3.35Å; H793-C797 WeakPolarHBondContact O-CB 3.48Å; H793-C797 PolarHBondContact O-N 2.96Å |
| 794 | A | 91.8 | Very high | 91.3 | Very high | 66 Ų | 66 | 83.6 Ų | 83.6 | 55% | 0.545 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.7 | -30.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | I790 E791 Y796 | I790-A794 VanDerWaalsContact O-CB 3.22Å; I790-A794 WeakPolarHBondContact O-CB 3.36Å; I790-A794 PolarHBondContact O-N 2.87Å; E791-A794 PolarHBondContact O-N 3.02Å; A794-Y796 VanDerWaalsContact C-N 3.27Å; A794-Y796 PolarHBondContact O-N 3.42Å |
| 795 | A | 92.8 | Very high | 91.2 | Very high | 72 Ų | 72 | 83.8 Ų | 83.8 | 60% | 0.595 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -15.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E791 I792 H793 | E791-A795 PolarHBondContact O-N 2.99Å; I792-A795 PolarHBondContact O-N 3.24Å; H793-A795 PolarHBondContact O-N 3.04Å |
| 796 | Y | 93.3 | Very high | 91.1 | Very high | 190 Ų | 190 | 86.2 Ų | 86.2 | 75% | 0.745 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132 | 11.5 | -175.6 | -60.9 | -61.4 | 0 | 0 | 0 | 114.3 | I792 H793 A794 D798 | I792-Y796 HydrophobicContact CG2-CD2 4.2Å; I792-Y796 HydrophobicContact CG2-CE2 4.25Å; I792-Y796 VanDerWaalsContact O-CD2 3.22Å; I792-Y796 WeakPolarHBondContact O-CD2 3.42Å; H793-Y796 CarbonylContact O-C 3.52Å; H793-Y796 PolarHBondContact O-N 2.99Å; A794-Y796 VanDerWaalsContact C-N 3.27Å; A794-Y796 PolarHBondContact O-N 3.42Å; Y796-D798 PolarHBondContact O-N 3.48Å |
| 797 | C | 94.1 | Very high | 90.9 | Very high | 25 Ų | 25 | 90.5 Ų | 90.5 | 17% | 0.169 | 53% | 0.529 | C | S | . | . | | | trans | -76.4 | 120.9 | 179.3 | -165.7 | 0 | 0 | 0 | 0 | 110.6 | L780 H793 G799 | L780-C797 HydrophobicContact CD1-CB 4.28Å; H793-C797 PolarHBondContact CE1-SG 2.77Å; H793-C797 PolarHBondContact NE2-SG 3.32Å; H793-C797 VanDerWaalsContact NE2-SG 3.35Å; H793-C797 WeakPolarHBondContact O-CB 3.48Å; H793-C797 PolarHBondContact O-N 2.96Å; C797-G799 PolarHBondContact SG-OXT 3.44Å; C797-G799 VanDerWaalsContact SG-OXT 3.36Å |
| 798 | D | 87.3 | Confident | 90.9 | Very high | 169 Ų | 169 | 93 Ų | 93 | 90% | 0.904 | 53% | 0.532 | S | S | * | . | | | trans | -99.3 | -10.2 | -172.9 | 59.7 | -36.8 | 0 | 0 | 0 | 114.8 | Y796 | Y796-D798 PolarHBondContact O-N 3.48Š|
| 799 | G | 75 | Confident | 91 | Very high | 69 Ų | 69 | 93.7 Ų | 93.7 | 71% | 0.711 | 53% | 0.526 | S | S | * | . | | | trans | 167.2 | 0 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L780 C781 C797 | L780-G799 VanDerWaalsContact C-OXT 3.25Å; L780-G799 VanDerWaalsContact CB-OXT 3.28Å; L780-G799 WeakPolarHBondContact CB-OXT 3.1Å; C781-G799 WeakPolarHBondContact CA-OXT 3.16Å; C781-G799 VanDerWaalsContact CB-OXT 3.25Å; C781-G799 WeakPolarHBondContact CB-OXT 3.34Å; C781-G799 PolarHBondContact N-OXT 3.43Å; C797-G799 PolarHBondContact SG-OXT 3.44Å; C797-G799 VanDerWaalsContact SG-OXT 3.36Å |