| 1 | M | 26.8 | Very low | 36.6 | Very low | 244 Ų | 244 | 138.7 Ų | 138.7 | 100% | 1.202 | 77% | 0.773 | S | S | * | * | | | | 0 | 155 | 0 | -98.3 | 71.4 | 114.7 | 0 | 0 | 109 | | |
| 2 | E | 35.3 | Very low | 37.2 | Very low | 147 Ų | 147 | 138 Ų | 138 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | | | trans | -57.7 | 179.5 | 157.6 | -96.8 | 177.6 | 114.5 | 0 | 0 | 113.2 | Q4 | E2-Q4 WeakPolarHBondContact OE1-CG 3.29Å; E2-Q4 PolarHBondContact OE1-NE2 3.18Å |
| 3 | P | 57.9 | Low | 36.8 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | cis | -112.8 | 169.9 | 17.5 | 6.8 | 20.3 | 0 | 0 | 0 | 115 | | |
| 4 | Q | 35.7 | Very low | 36.4 | Very low | 154 Ų | 154 | 146.9 Ų | 146.9 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | | | | 69.9 | 145.3 | 55.8 | -60.7 | -153.3 | 17.3 | 0 | 0 | 115.5 | E2 | E2-Q4 WeakPolarHBondContact OE1-CG 3.29Å; E2-Q4 PolarHBondContact OE1-NE2 3.18Å |
| 5 | A | 36.9 | Very low | 36.1 | Very low | 72 Ų | 72 | 144.9 Ų | 144.9 | 60% | 0.595 | 79% | 0.794 | S | S | * | * | | | cis | -169.9 | 171.1 | -14.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 6 | E | 36.6 | Very low | 35.7 | Very low | 191 Ų | 191 | 140.7 Ų | 140.7 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | | | trans | 59.4 | 159.5 | 155.1 | -73.8 | 171.1 | -149.6 | 0 | 0 | 121 | | |
| 7 | D | 37.3 | Very low | 35.4 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | cis | -165.5 | 162.7 | -25.1 | 178.7 | 47 | 0 | 0 | 0 | 111.2 | | |
| 8 | S | 34.3 | Very low | 35.3 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | | | trans | 58 | 154.5 | 160.3 | -78.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 9 | A | 35.1 | Very low | 35.1 | Very low | 71 Ų | 71 | 137.3 Ų | 137.3 | 59% | 0.587 | 79% | 0.79 | S | S | * | * | | | cis | -169.9 | 179.3 | -22.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 10 | H | 32.6 | Very low | 35 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | | | cis | -142.7 | -167.1 | 5.8 | -79.3 | -77.9 | 0 | 0 | 0 | 109.8 | | |
| 11 | S | 33.9 | Very low | 34.7 | Very low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -146.4 | 171.2 | 164.1 | -58.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 12 | P | 44.3 | Very low | 34.7 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 84% | 0.844 | 77% | 0.767 | S | S | * | * | | | | -148.7 | 171 | 88.5 | 39.5 | -21.9 | 0 | 0 | 0 | 116.6 | | |
| 13 | L | 32.2 | Very low | 34.4 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | | | trans | -143.8 | 161.4 | 170.8 | -177.6 | 75.2 | 0 | 0 | 0 | 106.6 | | |
| 14 | W | 30.7 | Very low | 33 | Very low | 245 Ų | 245 | 133.8 Ų | 133.8 | 93% | 0.928 | 78% | 0.776 | S | S | * | * | | | trans | -175.5 | 168.1 | 131.7 | -104.9 | 36.4 | 0 | 0 | 0 | 114.2 | | |
| 15 | S | 32.7 | Very low | 33.2 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | | | trans | -153 | 151.3 | 176.7 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 16 | G | 28.9 | Very low | 33 | Very low | 77 Ų | 77 | 133 Ų | 133 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | trans | -163.8 | 160.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 17 | S | 30.9 | Very low | 32.7 | Very low | 97 Ų | 97 | 130 Ų | 130 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | trans | -133.8 | 164.2 | -173.7 | -160.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 18 | E | 32.9 | Very low | 32.4 | Very low | 187 Ų | 187 | 130.8 Ų | 130.8 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | | | trans | 36.9 | 128.4 | 153.9 | -73 | 158.1 | 113.9 | 0 | 0 | 121.6 | | |
| 19 | G | 31.4 | Very low | 32.2 | Very low | 73 Ų | 73 | 133.2 Ų | 133.2 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | | | trans | -166.7 | 160.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 20 | S | 33.2 | Very low | 31.9 | Very low | 121 Ų | 121 | 133 Ų | 133 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | | | trans | -145.6 | 145.8 | -175.4 | -71.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 21 | Q | 28.7 | Very low | 31.7 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | 75.4 | 133.6 | 150 | -118.8 | -176.2 | -68.9 | 0 | 0 | 121 | | |
| 22 | E | 28.2 | Very low | 31.4 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | | | trans | 88.9 | 121.2 | 148.3 | -53.6 | -139.3 | 164.1 | 0 | 0 | 122.9 | | |
| 23 | L | 27.3 | Very low | 30.6 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | | | trans | 74 | 123.2 | 143.1 | -64.4 | 165.1 | 0 | 0 | 0 | 121.1 | | |
| 24 | C | 30.4 | Very low | 30.6 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | | | trans | -86.7 | 168.1 | 163.1 | -43.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 25 | P | 39.8 | Very low | 30.8 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | | | | -146.3 | 170.2 | 82.1 | 39.7 | -22.9 | 0 | 0 | 0 | 116.9 | | |
| 26 | S | 31.2 | Very low | 30.9 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | | | trans | 9.1 | 153.9 | 138.5 | -62.9 | 0 | 0 | 0 | 0 | 121.7 | | |
| 27 | E | 31.1 | Very low | 31.2 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 60% | 0.603 | 74% | 0.739 | S | S | * | * | | | cis | -164.1 | -179.3 | 3.4 | -120.9 | 155 | -118.1 | 0 | 0 | 113.4 | H402 | E27-H402 IonicContact OE2-CD2 2.78Å; E27-H402 IonicContact OE2-CE1 2.81Å; E27-H402 IonicContact OE2-NE2 3.89Å; E27-H402 PolarHBondContact OE2-NE2 2.92Å |
| 28 | H | 30.6 | Very low | 31.4 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | | | trans | 7.2 | 146.2 | 156.1 | -86.1 | -121.6 | 0 | 0 | 0 | 120.5 | | |
| 29 | L | 31.1 | Very low | 31.8 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | | | | -159.2 | 177.2 | 55.9 | -169 | 54.3 | 0 | 0 | 0 | 114 | | |
| 30 | A | 27.9 | Very low | 31.8 | Very low | 67 Ų | 67 | 139 Ų | 139 | 55% | 0.554 | 75% | 0.75 | S | S | * | * | | | trans | -67.4 | -171.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 31 | E | 29 | Very low | 32 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | cis | -168.3 | -177.8 | 25.5 | -151.5 | 145.7 | -124.3 | 0 | 0 | 112.4 | | |
| 32 | S | 27.9 | Very low | 32.3 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | | | trans | 73.6 | 156.5 | 163 | 78.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 33 | Y | 27.5 | Very low | 32.4 | Very low | 180 Ų | 180 | 137.8 Ų | 137.8 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | | | cis | -168.6 | 173.5 | -39.9 | -153 | -96.8 | 0 | 0 | 0 | 108.6 | | |
| 34 | N | 30.7 | Very low | 32.6 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | | | trans | 75.9 | 155.4 | 171.4 | -42.3 | -79.1 | 0 | 0 | 0 | 116.7 | | |
| 35 | E | 35.2 | Very low | 32.6 | Very low | 144 Ų | 144 | 137 Ų | 137 | 67% | 0.673 | 75% | 0.745 | S | S | * | * | | | cis | -160.2 | -144.9 | -48.7 | -127.5 | 161.3 | -150.6 | 0 | 0 | 107.7 | | |
| 36 | D | 34.8 | Very low | 31.8 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | | | trans | 66 | 91.3 | -176.2 | -50.1 | -28.7 | 0 | 0 | 0 | 112.6 | | |
| 37 | D | 36.1 | Very low | 31.7 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | | | cis | 71.3 | 109.7 | 49 | -158.1 | 0.1 | 0 | 0 | 0 | 113.6 | S39 | D37-S39 PolarHBondContact OD1-OG 3.03Š|
| 38 | D | 34.4 | Very low | 31.5 | Very low | 173 Ų | 173 | 137.9 Ų | 137.9 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | | | trans | -148.9 | 99.8 | 166.1 | -132.5 | -20.9 | 0 | 0 | 0 | 106.4 | | |
| 39 | S | 41.4 | Very low | 31.4 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | trans | -112.8 | 111.8 | -164.9 | -75.8 | 0 | 0 | 0 | 0 | 112.1 | D37 | D37-S39 PolarHBondContact OD1-OG 3.03Š|
| 40 | E | 31.3 | Very low | 31.3 | Very low | 201 Ų | 201 | 136.8 Ų | 136.8 | 94% | 0.939 | 77% | 0.765 | S | S | * | * | | | trans | -127.8 | 140.9 | 160.9 | -72.3 | -160.2 | 146.2 | 0 | 0 | 111.5 | | |
| 41 | S | 36.8 | Very low | 31.3 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | | | trans | -148.9 | -174.1 | -176.5 | 65 | 0 | 0 | 0 | 0 | 110.1 | | |
| 42 | E | 35.7 | Very low | 31.5 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | | | trans | 74.8 | 149.5 | -178.9 | -44.8 | -166.5 | 146.9 | 0 | 0 | 113.8 | | |
| 43 | D | 30.2 | Very low | 32.3 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | | | cis | -149.4 | 161.8 | -1.1 | -141.8 | 14.5 | 0 | 0 | 0 | 118.8 | | |
| 44 | L | 31.7 | Very low | 32.4 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 72% | 0.723 | 77% | 0.769 | S | S | * | * | | | trans | -21.8 | 168.8 | 168 | -71 | 163.8 | 0 | 0 | 0 | 125 | | |
| 45 | S | 29.9 | Very low | 32.4 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | | | trans | 82.7 | 157.5 | 151.5 | 82.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 46 | G | 23.7 | Very low | 32.1 | Very low | 69 Ų | 69 | 137.3 Ų | 137.3 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | cis | 162.1 | 156.4 | -12.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 47 | S | 28.1 | Very low | 31.8 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | | | trans | 76.8 | 126.4 | 163.1 | -80.3 | 0 | 0 | 0 | 0 | 123.4 | | |
| 48 | Q | 28.5 | Very low | 32.7 | Very low | 172 Ų | 172 | 133.3 Ų | 133.3 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | 75.1 | 93.7 | 139.6 | -63.2 | -167.1 | 12.3 | 0 | 0 | 123.6 | | |
| 49 | N | 27.7 | Very low | 32.4 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | | | | 56.1 | 117.6 | 99.5 | -169.7 | 21.8 | 0 | 0 | 0 | 120.6 | | |
| 50 | T | 29.3 | Very low | 31.7 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | | | trans | -158.1 | 132.8 | 144 | -10.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 51 | H | 26.4 | Very low | 31.7 | Very low | 167 Ų | 167 | 130.7 Ų | 130.7 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | 60.1 | 108.3 | 154.4 | -102.7 | -65.4 | 0 | 0 | 0 | 124.2 | | |
| 52 | I | 34.5 | Very low | 31.5 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | | | trans | -98.7 | 148 | 146.5 | -73.3 | 170.8 | 0 | 0 | 0 | 105.5 | | |
| 53 | P | 45.3 | Very low | 31.3 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | | | | -150.3 | -166.4 | 64.6 | 47.2 | -25.5 | 0 | 0 | 0 | 114.3 | | |
| 54 | S | 28.2 | Very low | 31.4 | Very low | 94 Ų | 94 | 133.7 Ų | 133.7 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | | | cis | -159.8 | 151 | 11.2 | -171.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 55 | S | 31.3 | Very low | 31.1 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | 62.4 | 157.4 | 149.5 | 46.7 | 0 | 0 | 0 | 0 | 119.2 | | |
| 56 | Q | 29.9 | Very low | 31.1 | Very low | 191 Ų | 191 | 137.1 Ų | 137.1 | 89% | 0.893 | 75% | 0.75 | S | S | * | * | | | cis | -144.9 | 178.6 | 6.9 | -143.8 | 164.4 | -15.2 | 0 | 0 | 112.6 | | |
| 57 | S | 27.1 | Very low | 31.5 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | | | trans | -150.7 | 178.4 | -178.1 | -158.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 58 | P | 55.3 | Low | 31.8 | Very low | 105 Ų | 105 | 140 Ų | 140 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | | | cis | -128.7 | -146.8 | -17.2 | 23.7 | 2.8 | 0 | 0 | 0 | 111.9 | | |
| 59 | E | 27.9 | Very low | 31.9 | Very low | 177 Ų | 177 | 135.6 Ų | 135.6 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | | | trans | 93.8 | 151 | 150.9 | -65.4 | -158.4 | 130.6 | 0 | 0 | 121.3 | | |
| 60 | C | 26.7 | Very low | 32 | Very low | 97 Ų | 97 | 136.5 Ų | 136.5 | 66% | 0.655 | 74% | 0.742 | S | S | * | * | | | cis | -170.1 | 169 | -32 | -158.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 61 | L | 31.8 | Very low | 31.9 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | | | trans | 67.8 | 138.8 | 167.2 | -50.4 | 178.3 | 0 | 0 | 0 | 117.1 | | |
| 62 | Q | 32.4 | Very low | 33 | Very low | 162 Ų | 162 | 131.2 Ų | 131.2 | 76% | 0.757 | 74% | 0.738 | S | S | * | * | | | cis | 104.7 | 146.9 | 13.5 | -165.8 | 173.5 | 32.8 | 0 | 0 | 114.8 | | |
| 63 | L | 31.9 | Very low | 32.7 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | | | trans | 78.8 | 156 | -176.1 | -54.1 | 177.9 | 0 | 0 | 0 | 114.5 | | |
| 64 | Q | 31.3 | Very low | 31.9 | Very low | 165 Ų | 165 | 131.2 Ų | 131.2 | 77% | 0.771 | 74% | 0.735 | S | S | * | * | | | cis | -179.3 | 166.1 | -42.1 | -119 | -170 | 23.9 | 0 | 0 | 106 | | |
| 65 | H | 27 | Very low | 31.8 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | | | trans | 72.7 | 153.1 | 157.9 | -146.3 | -107.9 | 0 | 0 | 0 | 116.1 | | |
| 66 | R | 30 | Very low | 31.6 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 63% | 0.63 | 74% | 0.741 | S | S | * | * | | | cis | -174.4 | 132 | -33.2 | 174.4 | 171.9 | 179.6 | -151.8 | -13.7 | 110.2 | | |
| 67 | E | 31.7 | Very low | 31.5 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 64% | 0.64 | 73% | 0.732 | S | S | * | * | | | trans | 50.4 | 130 | 142.4 | -155.1 | -180 | 131.2 | 0 | 0 | 121.3 | | |
| 68 | S | 33.3 | Very low | 31.5 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | | | trans | 70.7 | 153.9 | 153.2 | -74.1 | 0 | 0 | 0 | 0 | 118.8 | | |
| 69 | A | 30.5 | Very low | 30.2 | Very low | 79 Ų | 79 | 135.3 Ų | 135.3 | 65% | 0.653 | 73% | 0.729 | S | S | * | * | | | cis | -161.4 | -159.8 | -13.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 70 | D | 31 | Very low | 30.4 | Very low | 161 Ų | 161 | 135 Ų | 135 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | | | trans | 78.4 | 121.9 | 165.6 | -55.8 | -22.1 | 0 | 0 | 0 | 119.3 | | |
| 71 | G | 26.2 | Very low | 30.5 | Very low | 69 Ų | 69 | 139.9 Ų | 139.9 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | | | trans | -105.8 | -138 | 150.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 72 | P | 49.6 | Very low | 30.6 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | | | cis | -130.2 | -157.2 | -5.2 | 37.1 | -16.2 | 0 | 0 | 0 | 112 | | |
| 73 | E | 28 | Very low | 30.7 | Very low | 175 Ų | 175 | 143.5 Ų | 143.5 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | trans | 70.4 | 155.6 | 161.8 | -75.3 | -159.9 | -154.6 | 0 | 0 | 118.9 | | |
| 74 | S | 28.5 | Very low | 30.5 | Very low | 91 Ų | 91 | 141.4 Ų | 141.4 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | | | cis | -163.2 | 147 | -19.8 | 49.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 75 | L | 25.6 | Very low | 30.6 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | | | trans | 58.1 | 166 | 141.2 | -143.2 | 74.3 | 0 | 0 | 0 | 122 | | |
| 76 | L | 27.6 | Very low | 30.7 | Very low | 131 Ų | 131 | 141 Ų | 141 | 69% | 0.686 | 76% | 0.755 | S | S | * | * | | | trans | 78 | 120.3 | 170 | -60.9 | 168.8 | 0 | 0 | 0 | 114.7 | | |
| 77 | E | 27.3 | Very low | 30.8 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | | 72.2 | 142.8 | 74.6 | -73.4 | -161.7 | 149.6 | 0 | 0 | 113.3 | | |
| 78 | Q | 28.7 | Very low | 30.7 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | | | cis | -163.3 | -179.9 | -13.5 | -121.9 | -174.3 | 63.8 | 0 | 0 | 107.5 | | |
| 79 | S | 27.8 | Very low | 30.6 | Very low | 90 Ų | 90 | 143.7 Ų | 143.7 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | | | trans | 67.2 | 133.3 | 165.3 | -63.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 80 | E | 31.8 | Very low | 30.5 | Very low | 172 Ų | 172 | 147 Ų | 147 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | | 65.8 | 105.5 | 59.1 | -65.1 | -175.1 | 152.7 | 0 | 0 | 114.3 | | |
| 81 | Q | 27.8 | Very low | 30.7 | Very low | 198 Ų | 198 | 149.4 Ų | 149.4 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | | | | -175.7 | 161.6 | 122.4 | -99.3 | 159.6 | 5.8 | 0 | 0 | 113.2 | | |
| 82 | E | 34.1 | Very low | 31.1 | Very low | 194 Ų | 194 | 153.2 Ų | 153.2 | 91% | 0.907 | 77% | 0.765 | S | S | * | * | | | trans | -108 | -174 | -179.5 | -56.7 | -177.9 | 131.3 | 0 | 0 | 111.4 | | |
| 83 | E | 35 | Very low | 30.1 | Very low | 185 Ų | 185 | 155.6 Ų | 155.6 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | | | trans | 106.2 | 145.2 | 154 | -161.3 | 164.8 | -153.3 | 0 | 0 | 120.1 | | |
| 84 | S | 27.4 | Very low | 30.4 | Very low | 100 Ų | 100 | 155.9 Ų | 155.9 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | | | trans | 66.4 | 118.3 | 176.7 | 68.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 85 | V | 33.7 | Very low | 30.5 | Very low | 117 Ų | 117 | 160.1 Ų | 160.1 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | | | cis | 76.6 | 107.9 | 30.6 | -171.1 | 0 | 0 | 0 | 0 | 114.6 | Y87 | V85-Y87 HydrophobicContact CG1-CE2 4.41Š|
| 86 | F | 29.9 | Very low | 30.8 | Very low | 205 Ų | 205 | 156.4 Ų | 156.4 | 90% | 0.899 | 75% | 0.753 | S | S | * | * | | | trans | -146.7 | 143.9 | 152.7 | -104.6 | -81 | 0 | 0 | 0 | 111 | | |
| 87 | Y | 31.4 | Very low | 30.8 | Very low | 191 Ų | 191 | 159 Ų | 159 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | | | trans | -85.2 | 177.7 | 165.8 | -61.5 | -111.3 | 0 | 0 | 0 | 108.4 | V85 | V85-Y87 HydrophobicContact CG1-CE2 4.41Š|
| 88 | Q | 30.2 | Very low | 31 | Very low | 143 Ų | 143 | 157.5 Ų | 157.5 | 67% | 0.668 | 77% | 0.767 | S | S | * | * | | | cis | -156.6 | 169.7 | 13.8 | -161.8 | 133.7 | -15 | 0 | 0 | 112.4 | | |
| 89 | E | 30.4 | Very low | 31.3 | Very low | 138 Ų | 138 | 158.7 Ų | 158.7 | 65% | 0.645 | 77% | 0.766 | S | S | * | * | | | trans | -31.3 | 153.7 | 165.7 | -54.2 | 145.9 | 154.5 | 0 | 0 | 117.4 | | |
| 90 | N | 28.1 | Very low | 31.7 | Very low | 147 Ų | 147 | 161.9 Ų | 161.9 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | | | | -169.9 | 164.9 | 98.7 | -100.7 | -73.1 | 0 | 0 | 0 | 114.9 | | |
| 91 | Y | 36.5 | Very low | 32 | Very low | 213 Ų | 213 | 157 Ų | 157 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | | | trans | -80.7 | 160.9 | 177.7 | -86.7 | -117.5 | 0 | 0 | 0 | 112.3 | | |
| 92 | D | 32.7 | Very low | 32.2 | Very low | 149 Ų | 149 | 154.1 Ų | 154.1 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | | | | -179.7 | 155.5 | 108.2 | -111.9 | -32.5 | 0 | 0 | 0 | 118.4 | | |
| 93 | F | 29.5 | Very low | 32.1 | Very low | 169 Ų | 169 | 150.7 Ų | 150.7 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | | | trans | 62.5 | 97.6 | 148.9 | -118.2 | -101.9 | 0 | 0 | 0 | 126.7 | | |
| 94 | Y | 35.3 | Very low | 31.8 | Very low | 182 Ų | 182 | 149 Ų | 149 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | | | | 46.4 | 126.1 | 115 | -131.7 | -89.7 | 0 | 0 | 0 | 124.9 | | |
| 95 | F | 30.4 | Very low | 32.1 | Very low | 180 Ų | 180 | 149 Ų | 149 | 79% | 0.789 | 73% | 0.733 | S | S | * | * | | | | 178.4 | 117.5 | 126.9 | -104.9 | -83.2 | 0 | 0 | 0 | 108 | | |
| 96 | S | 30.6 | Very low | 33 | Very low | 79 Ų | 79 | 148.2 Ų | 148.2 | 55% | 0.552 | 73% | 0.73 | S | S | * | * | | | | 51.3 | 140.6 | 101 | -37.2 | 0 | 0 | 0 | 0 | 115.2 | | |
| 97 | E | 28.3 | Very low | 32.9 | Very low | 186 Ų | 186 | 148.7 Ų | 148.7 | 87% | 0.869 | 73% | 0.727 | S | S | * | * | | | cis | -134.7 | 173.6 | 15.7 | -68.1 | -177.3 | 117.2 | 0 | 0 | 109.5 | | |
| 98 | S | 31.7 | Very low | 33 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | | | cis | -146.6 | 162.1 | 34.3 | -64.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 99 | R | 35.6 | Very low | 32.9 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 66% | 0.664 | 72% | 0.724 | S | S | * | * | | | trans | -90.3 | 160.3 | 178.4 | -152.7 | 179.3 | 171.4 | -109.8 | 6.8 | 108.2 | | |
| 100 | E | 35.9 | Very low | 32.7 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 73% | 0.729 | 72% | 0.722 | S | S | * | * | | | | 175.8 | 154.5 | 77.4 | -75.3 | -157.1 | 134.8 | 0 | 0 | 110.2 | | |
| 101 | S | 37.5 | Very low | 32.9 | Very low | 69 Ų | 69 | 140.7 Ų | 140.7 | 48% | 0.483 | 72% | 0.719 | S | S | . | * | | | cis | -172.4 | 133.9 | -17.6 | 61.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 102 | M | 31.8 | Very low | 32.7 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | | | trans | 59.9 | 162.2 | 154.3 | 0 | -168.8 | -164.6 | 0 | 0 | 117.1 | | |
| 103 | T | 31.8 | Very low | 32.5 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | | | cis | -160 | 156.1 | 3.8 | 6.4 | 0 | 0 | 0 | 0 | 106.1 | | |
| 104 | D | 30 | Very low | 32.4 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 80% | 0.802 | 72% | 0.721 | S | S | * | * | | | cis | -158.8 | -157.4 | -5.8 | -148.7 | -44.9 | 0 | 0 | 0 | 109.2 | | |
| 105 | S | 32.8 | Very low | 32.4 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | | | trans | -128.3 | -160.8 | 177.6 | -139.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 106 | P | 53 | Low | 32.1 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | | | cis | -137.5 | -172.1 | -8.1 | 37.4 | -16.2 | 0 | 0 | 0 | 116.2 | | |
| 107 | Y | 27.6 | Very low | 32.2 | Very low | 214 Ų | 214 | 130.5 Ų | 130.5 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | | | trans | 72.4 | 156.3 | 145 | -93.4 | -165.5 | 0 | 0 | 0 | 119.2 | | |
| 108 | I | 32.5 | Very low | 33.3 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 57% | 0.569 | 73% | 0.731 | S | S | * | * | | | cis | -152.4 | 179.8 | 7.4 | -125.7 | -93.4 | 0 | 0 | 0 | 112.2 | | |
| 109 | E | 28.1 | Very low | 34.4 | Very low | 164 Ų | 164 | 126.7 Ų | 126.7 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | | | trans | -34.8 | 175.4 | 170.7 | -75 | 169.9 | 120.4 | 0 | 0 | 120.5 | | |
| 110 | A | 27.8 | Very low | 33.9 | Very low | 75 Ų | 75 | 127.8 Ų | 127.8 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | | | cis | 175.7 | 164.8 | -30.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 111 | S | 31.9 | Very low | 33.5 | Very low | 101 Ų | 101 | 126.1 Ų | 126.1 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | | | trans | 63.5 | 169 | 163 | -66.6 | 0 | 0 | 0 | 0 | 117.8 | | |
| 112 | Q | 32.5 | Very low | 34.4 | Very low | 170 Ų | 170 | 127.8 Ų | 127.8 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | | | cis | -152.6 | 165.4 | -33.8 | -108.6 | 172.8 | 76.1 | 0 | 0 | 110.2 | | |
| 113 | T | 27.9 | Very low | 34.3 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | trans | -32.8 | 143.5 | 176.6 | 52.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 114 | S | 28.4 | Very low | 34.5 | Very low | 127 Ų | 127 | 126.2 Ų | 126.2 | 89% | 0.888 | 75% | 0.746 | S | S | * | * | | | trans | -174.9 | 172.7 | 131.7 | -84.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 115 | A | 33.4 | Very low | 34.6 | Very low | 94 Ų | 94 | 128.3 Ų | 128.3 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | | | trans | -146 | 171.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 116 | T | 25.9 | Very low | 34.6 | Very low | 146 Ų | 146 | 127.5 Ų | 127.5 | 90% | 0.896 | 74% | 0.743 | S | S | * | * | | | trans | 114 | 154.2 | 165.2 | -44.1 | 0 | 0 | 0 | 0 | 116.4 | | |
| 117 | S | 31 | Very low | 33.3 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | | | trans | -119.1 | -157.5 | -171.8 | 61.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 118 | P | 51.9 | Low | 33.4 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | | | cis | -128.5 | -121.4 | -9 | 26.2 | 1.4 | 0 | 0 | 0 | 114.9 | | |
| 119 | P | 55.8 | Low | 33.2 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | | | | -125.8 | 171.9 | -100.3 | 40 | -24.4 | 0 | 0 | 0 | 117.7 | | |
| 120 | E | 25.2 | Very low | 33 | Very low | 199 Ų | 199 | 128.3 Ų | 128.3 | 93% | 0.93 | 75% | 0.745 | S | S | * | * | | | | -169 | -173 | 128.8 | -110.7 | -169.6 | 126.4 | 0 | 0 | 114.3 | | |
| 121 | C | 26.3 | Very low | 32.8 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | trans | -139.9 | -167.9 | -158.2 | -128.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 122 | P | 57.3 | Low | 32.5 | Very low | 103 Ų | 103 | 131 Ų | 131 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | | | cis | -133.9 | 179.4 | -20 | 42.3 | -26.3 | 0 | 0 | 0 | 114.9 | | |
| 123 | D | 28.4 | Very low | 32.1 | Very low | 153 Ų | 153 | 128.2 Ų | 128.2 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | | -167.8 | -175.8 | 112.1 | -135.4 | -29.9 | 0 | 0 | 0 | 114 | | |
| 124 | S | 36.6 | Very low | 31.9 | Very low | 75 Ų | 75 | 127.8 Ų | 127.8 | 52% | 0.524 | 76% | 0.759 | S | S | . | * | | | trans | -131.2 | 134.2 | -138.1 | -55.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 125 | K | 33.4 | Very low | 31.8 | Very low | 194 Ų | 194 | 127 Ų | 127 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | | | trans | 70.6 | 154.2 | 132.5 | -69 | 169.6 | -167.8 | 161.6 | 0 | 121 | | |
| 126 | S | 31.6 | Very low | 31.6 | Very low | 84 Ų | 84 | 128 Ų | 128 | 59% | 0.587 | 76% | 0.755 | S | S | * | * | | | cis | 176.6 | 160.1 | -16.9 | 53.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 127 | W | 25.7 | Very low | 31.9 | Very low | 221 Ų | 221 | 126.1 Ų | 126.1 | 84% | 0.837 | 75% | 0.748 | S | S | * | * | | | trans | 67.4 | 168.4 | 165.9 | -57.9 | 96.2 | 0 | 0 | 0 | 118.7 | | |
| 128 | Q | 29.5 | Very low | 32.2 | Very low | 131 Ų | 131 | 129 Ų | 129 | 61% | 0.612 | 76% | 0.755 | S | S | * | * | | | | -165.3 | 170.6 | -58.6 | -121.5 | -169.9 | 10.3 | 0 | 0 | 111.8 | | |
| 129 | H | 28.1 | Very low | 31.1 | Very low | 153 Ų | 153 | 127.1 Ų | 127.1 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | | | trans | 75.9 | 115.5 | 157.4 | -62.5 | -42.8 | 0 | 0 | 0 | 124.9 | | |
| 130 | S | 24.6 | Very low | 30.2 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | | | | 56.9 | 123.8 | 116.6 | -51.9 | 0 | 0 | 0 | 0 | 126.3 | | |
| 131 | C | 23.5 | Very low | 30.6 | Very low | 122 Ų | 122 | 122.3 Ų | 122.3 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | | | trans | 88.6 | 137.3 | 136.9 | -67.2 | 0 | 0 | 0 | 0 | 124.4 | | |
| 132 | S | 24.7 | Very low | 31.1 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | | | trans | 92.6 | 107 | 146.1 | -59.3 | 0 | 0 | 0 | 0 | 123.3 | | |
| 133 | S | 24.1 | Very low | 30 | Very low | 111 Ų | 111 | 123.2 Ų | 123.2 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | | | | 77.5 | 121.8 | 127.6 | -56.1 | 0 | 0 | 0 | 0 | 124.5 | | |
| 134 | S | 24.3 | Very low | 30.4 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | | | trans | 79.9 | 102.2 | 134 | -60 | 0 | 0 | 0 | 0 | 124.1 | | |
| 135 | S | 27.1 | Very low | 30.3 | Very low | 111 Ų | 111 | 124 Ų | 124 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | | 69 | 140 | 122.1 | -156.3 | 0 | 0 | 0 | 0 | 123.7 | | |
| 136 | S | 27.9 | Very low | 30.4 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | | | trans | 72.1 | 152.1 | 154.2 | 75.1 | 0 | 0 | 0 | 0 | 118.8 | | |
| 137 | S | 33.4 | Very low | 30.4 | Very low | 107 Ų | 107 | 123.9 Ų | 123.9 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | cis | -173.3 | -178.9 | -18 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 138 | L | 36.3 | Very low | 30.7 | Very low | 161 Ų | 161 | 120.8 Ų | 120.8 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | | | trans | 98.7 | 144.8 | 157.3 | -64.2 | 168 | 0 | 0 | 0 | 121.9 | | |
| 139 | G | 29.5 | Very low | 30.7 | Very low | 74 Ų | 74 | 119.7 Ų | 119.7 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | | | trans | 117.2 | 89.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 140 | C | 36 | Very low | 30.9 | Very low | 112 Ų | 112 | 119.4 Ų | 119.4 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | | | cis | 108 | 93.9 | 15 | -64.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 141 | A | 34 | Very low | 31.2 | Very low | 96 Ų | 96 | 119.8 Ų | 119.8 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | | | trans | -167 | 121 | 152.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 142 | A | 37.1 | Very low | 31.6 | Very low | 97 Ų | 97 | 118.1 Ų | 118.1 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | | | | 78.9 | 136 | 85.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 143 | D | 33.8 | Very low | 31.8 | Very low | 146 Ų | 146 | 121.7 Ų | 121.7 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | | | cis | -160.6 | 170.1 | 3 | -148 | -28.8 | 0 | 0 | 0 | 112.6 | | |
| 144 | M | 37.9 | Very low | 32.2 | Very low | 157 Ų | 157 | 127.7 Ų | 127.7 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | | | trans | 67.2 | 145.1 | 160 | -61.6 | -170.7 | 89.5 | 0 | 0 | 119.5 | | |
| 145 | T | 33.8 | Very low | 32.9 | Very low | 87 Ų | 87 | 128.2 Ų | 128.2 | 53% | 0.534 | 77% | 0.765 | S | S | . | * | | | cis | -162.9 | 126.2 | -8.3 | -100 | 0 | 0 | 0 | 0 | 112.6 | | |
| 146 | K | 35.9 | Very low | 33.2 | Very low | 198 Ų | 198 | 131.1 Ų | 131.1 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | | | trans | 64.3 | 148.5 | 154.8 | -69.2 | 168.9 | -159.6 | 170.1 | 0 | 119.4 | | |
| 147 | A | 31.3 | Very low | 33.3 | Very low | 78 Ų | 78 | 129.2 Ų | 129.2 | 65% | 0.645 | 77% | 0.769 | S | S | * | * | | | cis | -165.4 | 143.9 | -0.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 148 | L | 31.5 | Very low | 33.2 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | 65.4 | 143.9 | 148.4 | -54.5 | 167.9 | 0 | 0 | 0 | 119.7 | | |
| 149 | T | 29 | Very low | 33 | Very low | 107 Ų | 107 | 127 Ų | 127 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | | | cis | -165.4 | 139.3 | -12.9 | 14.4 | 0 | 0 | 0 | 0 | 113 | | |
| 150 | L | 33.7 | Very low | 33.2 | Very low | 148 Ų | 148 | 131.2 Ų | 131.2 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | | | trans | 52.3 | 119.3 | 139.2 | -63.7 | 172.4 | 0 | 0 | 0 | 121.9 | | |
| 151 | S | 30.4 | Very low | 33.2 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | | 83.6 | 161.1 | 89.8 | 88.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 152 | S | 31.9 | Very low | 33 | Very low | 88 Ų | 88 | 134 Ų | 134 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | | | cis | -159.1 | 166 | 1.2 | -157.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 153 | E | 28.9 | Very low | 32.7 | Very low | 185 Ų | 185 | 132.6 Ų | 132.6 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | trans | 47.3 | 162.8 | 145.7 | -79.8 | 167.4 | 123.3 | 0 | 0 | 126.5 | | |
| 154 | R | 31.4 | Very low | 33.5 | Very low | 236 Ų | 236 | 131.5 Ų | 131.5 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | | | trans | -90.7 | 154.1 | 173 | -94.2 | 178.1 | 170.5 | 167 | -3.1 | 111 | | |
| 155 | P | 39.1 | Very low | 33 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | | -149.1 | -158.6 | 94.6 | 39.9 | -21 | 0 | 0 | 0 | 115 | | |
| 156 | L | 33.5 | Very low | 32.9 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | | | trans | -91.8 | 155.3 | -175.2 | -66.8 | 67.6 | 0 | 0 | 0 | 112.8 | | |
| 157 | G | 30.3 | Very low | 32.6 | Very low | 74 Ų | 74 | 130.7 Ų | 130.7 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | | | trans | 144.4 | 98.4 | 139 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 158 | A | 32.8 | Very low | 32.5 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | | | trans | 53.2 | 149.3 | 136.2 | 0 | 0 | 0 | 0 | 0 | 125 | | |
| 159 | S | 31.2 | Very low | 32.3 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | 120.4 | 139 | 138.8 | -159.2 | 0 | 0 | 0 | 0 | 119.4 | | |
| 160 | D | 34.4 | Very low | 32.2 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | | | trans | -66.4 | 174.9 | 177.7 | -42.2 | -66.6 | 0 | 0 | 0 | 114.4 | | |
| 161 | G | 34.4 | Very low | 31.8 | Very low | 61 Ų | 61 | 139.1 Ų | 139.1 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | | | cis | 164.1 | -161.1 | 4.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 162 | H | 31.5 | Very low | 31.6 | Very low | 206 Ų | 206 | 141 Ų | 141 | 95% | 0.954 | 78% | 0.777 | S | S | * | * | | | trans | 70.9 | 148.1 | -174.3 | -67.6 | -100.9 | 0 | 0 | 0 | 116.3 | | |
| 163 | G | 29.3 | Very low | 31.3 | Very low | 67 Ų | 67 | 141.4 Ų | 141.4 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | | | cis | 151.4 | -176.8 | -2.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 164 | P | 52.1 | Low | 31.3 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | | | cis | -138.8 | 172.9 | -28.9 | 43.1 | -26.9 | 0 | 0 | 0 | 115.7 | | |
| 165 | R | 27.2 | Very low | 31.2 | Very low | 195 Ų | 195 | 134 Ų | 134 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | | | trans | 43.6 | 146.7 | 150.5 | -102 | -175 | 135.4 | 172.7 | -3.7 | 122 | E167 | R165-E167 IonicContact CZ-OE1 3.62Å; R165-E167 IonicContact CZ-OE2 3.61Å; R165-E167 IonicContact NE-OE1 2.87Å; R165-E167 PolarHBondContact NE-OE1 3.19Å; R165-E167 IonicContact NE-OE2 3.64Å; R165-E167 IonicContact NH2-OE1 3.5Å; R165-E167 PolarHBondContact NH2-OE1 3.16Å; R165-E167 IonicContact NH2-OE2 2.74Å; R165-E167 PolarHBondContact NH2-OE2 3.25Å |
| 166 | T | 31.4 | Very low | 30.9 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | | | | -163.3 | 161.3 | 52.9 | -38.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 167 | E | 29.3 | Very low | 30.8 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 52% | 0.523 | 77% | 0.765 | S | S | . | * | | | trans | -57.4 | 167.6 | 174.3 | -49.5 | 90.6 | -85.3 | 0 | 0 | 114.6 | R165 | R165-E167 IonicContact CZ-OE1 3.62Å; R165-E167 IonicContact CZ-OE2 3.61Å; R165-E167 IonicContact NE-OE1 2.87Å; R165-E167 PolarHBondContact NE-OE1 3.19Å; R165-E167 IonicContact NE-OE2 3.64Å; R165-E167 IonicContact NH2-OE1 3.5Å; R165-E167 PolarHBondContact NH2-OE1 3.16Å; R165-E167 IonicContact NH2-OE2 2.74Å; R165-E167 PolarHBondContact NH2-OE2 3.25Å |
| 168 | I | 29.9 | Very low | 30.8 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | | | cis | -168.4 | 162.2 | 36.1 | -6.4 | 170.2 | 0 | 0 | 0 | 114.4 | | |
| 169 | R | 27.7 | Very low | 30.6 | Very low | 229 Ų | 229 | 133.4 Ų | 133.4 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | | | trans | 85.7 | 113.5 | 136.3 | -169.7 | 174.9 | -170.4 | 178 | 4.4 | 125.1 | | |
| 170 | S | 26.3 | Very low | 30.5 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | trans | 80 | 106.3 | 133.1 | -163.5 | 0 | 0 | 0 | 0 | 125.4 | | |
| 171 | F | 26 | Very low | 30.2 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 76% | 0.763 | 76% | 0.755 | S | S | * | * | | | | 60.8 | 124.3 | 117.6 | -143.2 | -123.9 | 0 | 0 | 0 | 123.7 | | |
| 172 | E | 25.3 | Very low | 30.2 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 70% | 0.696 | 76% | 0.758 | S | S | * | * | | | trans | 100.5 | 146.1 | 136.7 | -154.4 | 145.8 | -120.2 | 0 | 0 | 122.8 | | |
| 173 | S | 26.4 | Very low | 31.4 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | | | trans | 70.9 | 126.7 | 157.5 | 56 | 0 | 0 | 0 | 0 | 121.8 | | |
| 174 | S | 27.8 | Very low | 32.3 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | | | trans | 70.7 | 159.1 | 130.3 | -68.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 175 | E | 29.2 | Very low | 31.4 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | | | cis | -173.3 | 149 | -19.9 | 172.4 | 154.1 | 60.5 | 0 | 0 | 108.9 | | |
| 176 | E | 32.5 | Very low | 31.9 | Very low | 191 Ų | 191 | 127.4 Ų | 127.4 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | | | trans | 63.9 | 160.1 | 157.3 | -166.9 | 159.5 | -139.8 | 0 | 0 | 120.6 | | |
| 177 | G | 31.1 | Very low | 31.9 | Very low | 76 Ų | 76 | 128 Ų | 128 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | | | trans | 85.1 | 124.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 178 | G | 30.2 | Very low | 32 | Very low | 67 Ų | 67 | 130.4 Ų | 130.4 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | cis | 129.6 | 89.8 | -14.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 179 | S | 29.9 | Very low | 32.1 | Very low | 131 Ų | 131 | 132 Ų | 132 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | | | trans | 60.1 | 167.1 | 177.7 | 65.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 180 | S | 28.3 | Very low | 32.3 | Very low | 92 Ų | 92 | 123.7 Ų | 123.7 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | | | cis | -113.8 | -154.9 | 0.5 | 52.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 181 | E | 28.5 | Very low | 32.6 | Very low | 184 Ų | 184 | 127.1 Ų | 127.1 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | | | cis | -154.3 | -163.9 | 4.6 | -151 | 142.4 | 102.5 | 0 | 0 | 110.8 | | |
| 182 | A | 33.4 | Very low | 32.8 | Very low | 84 Ų | 84 | 122.9 Ų | 122.9 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | | | trans | -132 | 164 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 183 | P | 57.6 | Low | 33.3 | Very low | 121 Ų | 121 | 122.5 Ų | 122.5 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | | | trans | -100.8 | 175.2 | -170.6 | 40.2 | -36.5 | 0 | 0 | 0 | 114.2 | | |
| 184 | P | 49.1 | Very low | 33.6 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | | | trans | -123.9 | 158.3 | 151.4 | 36.1 | -25.2 | 0 | 0 | 0 | 114.6 | | |
| 185 | A | 32.7 | Very low | 33.8 | Very low | 91 Ų | 91 | 125.6 Ų | 125.6 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | -91.6 | -168 | 172 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 186 | S | 36.9 | Very low | 33.9 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | | | cis | -150.5 | -177.8 | 18.8 | -64.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 187 | V | 31.9 | Very low | 33.8 | Very low | 130 Ų | 130 | 121.2 Ų | 121.2 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | | | | 172.9 | 121.2 | 96.8 | 149.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 188 | F | 31.8 | Very low | 33.8 | Very low | 164 Ų | 164 | 126 Ų | 126 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | | | | 40.1 | 141.7 | 105.8 | -77.2 | -65.4 | 0 | 0 | 0 | 117 | | |
| 189 | F | 31.1 | Very low | 33.7 | Very low | 197 Ų | 197 | 126.7 Ų | 126.7 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | | | cis | -138.2 | -173.1 | 8.7 | -82.7 | -73.7 | 0 | 0 | 0 | 108.7 | | |
| 190 | G | 32.4 | Very low | 33.7 | Very low | 54 Ų | 54 | 129.1 Ų | 129.1 | 56% | 0.557 | 76% | 0.761 | S | S | * | * | | | cis | 148.4 | 170.6 | -0.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 191 | I | 32.1 | Very low | 34.2 | Very low | 173 Ų | 173 | 130.2 Ų | 130.2 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | | | trans | 61.2 | 156.1 | 178 | 77 | 159.3 | 0 | 0 | 0 | 116.6 | | |
| 192 | S | 31.6 | Very low | 34.4 | Very low | 85 Ų | 85 | 132.9 Ų | 132.9 | 59% | 0.594 | 77% | 0.766 | S | S | * | * | | | cis | -175.2 | 164.6 | -22.9 | -88.6 | 0 | 0 | 0 | 0 | 108 | | |
| 193 | D | 34 | Very low | 34.3 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | | | cis | -168.6 | 165.9 | -26.3 | -87.9 | -29.2 | 0 | 0 | 0 | 109.4 | | |
| 194 | E | 33.8 | Very low | 33.1 | Very low | 194 Ų | 194 | 139 Ų | 139 | 91% | 0.907 | 78% | 0.78 | S | S | * | * | | | trans | 65.9 | 145.6 | 158.4 | -140.7 | 69.4 | 173.8 | 0 | 0 | 122.6 | | |
| 195 | G | 31.4 | Very low | 32.1 | Very low | 71 Ų | 71 | 136.6 Ų | 136.6 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | | | trans | 99.3 | 85.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 196 | A | 30.5 | Very low | 32.2 | Very low | 94 Ų | 94 | 138.1 Ų | 138.1 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | | | | 89 | 100.7 | 53.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 197 | E | 30.6 | Very low | 32.2 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | | | trans | 74.6 | 146.7 | 143.9 | -64.4 | -167.8 | -155.4 | 0 | 0 | 124 | | |
| 198 | Q | 30.9 | Very low | 32.4 | Very low | 176 Ų | 176 | 144 Ų | 144 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | | | trans | 66.2 | 136.5 | 161.9 | -68.5 | 166.7 | 55.9 | 0 | 0 | 118.1 | | |
| 199 | A | 28.4 | Very low | 32.4 | Very low | 82 Ų | 82 | 141.4 Ų | 141.4 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | cis | -159.7 | 178.8 | -14.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 200 | E | 30.5 | Very low | 32.7 | Very low | 182 Ų | 182 | 139.4 Ų | 139.4 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | | | trans | 50.2 | 112.6 | 158 | -62.9 | -166.7 | 117 | 0 | 0 | 118.4 | | |
| 201 | T | 38.3 | Very low | 32.6 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 71% | 0.712 | 79% | 0.79 | S | S | * | * | | | cis | -163.1 | 141.6 | 42 | 46.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 202 | R | 33.9 | Very low | 32.7 | Very low | 239 Ų | 239 | 145.6 Ų | 145.6 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | | | trans | 153.5 | 99.2 | 138.2 | -84.8 | 169.3 | -166.9 | -169.9 | 5.8 | 111.8 | | |
| 203 | N | 30.3 | Very low | 33.2 | Very low | 159 Ų | 159 | 146.8 Ų | 146.8 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | trans | -64.9 | 137.2 | 163.2 | -52.5 | -67.6 | 0 | 0 | 0 | 108.7 | | |
| 204 | L | 33.3 | Very low | 33.7 | Very low | 176 Ų | 176 | 146.7 Ų | 146.7 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | | | cis | 75.3 | 131.7 | 35.3 | -150.8 | 83.3 | 0 | 0 | 0 | 113.6 | | |
| 205 | G | 28.6 | Very low | 34 | Very low | 77 Ų | 77 | 148.1 Ų | 148.1 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | trans | 160.8 | 50.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 206 | S | 33.4 | Very low | 34.3 | Very low | 123 Ų | 123 | 152.5 Ų | 152.5 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -153.7 | 46.1 | 165.6 | 76.8 | 0 | 0 | 0 | 0 | 116 | | |
| 207 | D | 36.5 | Very low | 34.8 | Very low | 145 Ų | 145 | 157.6 Ų | 157.6 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | | | trans | -149.9 | 126.3 | 157.6 | -164.5 | 8.7 | 0 | 0 | 0 | 111.7 | | |
| 208 | R | 36.3 | Very low | 34.9 | Very low | 210 Ų | 210 | 153.6 Ų | 153.6 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | | | trans | -172.7 | 136.9 | 169.9 | -74.5 | -150.2 | 73.6 | 133.4 | 8.9 | 106.5 | | |
| 209 | D | 32.5 | Very low | 35.7 | Very low | 109 Ų | 109 | 154.6 Ų | 154.6 | 58% | 0.583 | 79% | 0.785 | S | S | * | * | | | cis | -133.9 | 152.3 | 4.9 | -89.6 | -59.4 | 0 | 0 | 0 | 112.2 | | |
| 210 | L | 36.9 | Very low | 36.2 | Very low | 155 Ų | 155 | 160.7 Ų | 160.7 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | | | trans | -121.6 | 143.5 | 161.4 | -76.9 | 171 | 0 | 0 | 0 | 109.2 | | |
| 211 | C | 31.5 | Very low | 36.4 | Very low | 121 Ų | 121 | 157.5 Ų | 157.5 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | 68.9 | 143.2 | -176.4 | -50.8 | 0 | 0 | 0 | 0 | 114 | | |
| 212 | R | 33 | Very low | 36.5 | Very low | 237 Ų | 237 | 163.7 Ų | 163.7 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | | | cis | -141.3 | 178.7 | 10.8 | -91.4 | -160.1 | 175.5 | -155.4 | -0.1 | 109.9 | | |
| 213 | P | 42.6 | Very low | 36.8 | Very low | 109 Ų | 109 | 158.8 Ų | 158.8 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | | | cis | -119.3 | 178.1 | -9.5 | 39.1 | -26.2 | 0 | 0 | 0 | 113.6 | | |
| 214 | D | 43.7 | Very low | 37.6 | Very low | 138 Ų | 138 | 156.4 Ų | 156.4 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | trans | -74.2 | 129.8 | 170.1 | 178.8 | 17.9 | 0 | 0 | 0 | 112.1 | Q216 | D214-Q216 PolarHBondContact OD1-N 2.97Š|
| 215 | R | 40.9 | Very low | 38.6 | Very low | 225 Ų | 225 | 155.8 Ų | 155.8 | 85% | 0.849 | 77% | 0.774 | S | S | * | * | | | trans | -136.6 | 78.6 | 154.8 | -72 | -169.9 | 75.9 | 168.7 | 2.5 | 111 | | |
| 216 | Q | 38.2 | Very low | 40.6 | Very low | 163 Ų | 163 | 161 Ų | 161 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | 57.9 | 73.1 | 145.7 | -64.6 | 178.1 | -41.8 | 0 | 0 | 117.3 | D214 A218 | D214-Q216 PolarHBondContact OD1-N 2.97Å; Q216-A218 PolarHBondContact O-N 3.34Å |
| 217 | R | 39.5 | Very low | 42.4 | Very low | 201 Ų | 201 | 157.8 Ų | 157.8 | 76% | 0.758 | 75% | 0.746 | S | S | * | * | | | | 40.1 | 55.2 | 126.8 | -154.4 | -173.6 | -138.1 | -179.6 | 11.3 | 118 | R219 | R217-R219 HydrophobicContact CG-CG 4.27Å; R217-R219 PolarHBondContact O-N 3.03Å |
| 218 | A | 33.3 | Very low | 44.8 | Very low | 83 Ų | 83 | 154.5 Ų | 154.5 | 69% | 0.686 | 73% | 0.731 | S | S | * | * | | | trans | -63.9 | 94.6 | 167 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q216 Y220 | Q216-A218 PolarHBondContact O-N 3.34Å; A218-Y220 HydrophobicContact CB-CD2 4.24Å; A218-Y220 PolarHBondContact O-N 3.05Å |
| 219 | R | 48.6 | Very low | 47.1 | Very low | 196 Ų | 196 | 151.5 Ų | 151.5 | 74% | 0.74 | 73% | 0.726 | S | S | * | * | | | trans | -74.6 | 62.1 | 179.3 | -77.8 | -162.4 | 178.4 | -170.7 | 3.4 | 112.4 | R217 | R217-R219 HydrophobicContact CG-CG 4.27Å; R217-R219 PolarHBondContact O-N 3.03Å |
| 220 | Y | 37.8 | Very low | 49.8 | Very low | 211 Ų | 211 | 150 Ų | 150 | 83% | 0.827 | 73% | 0.725 | S | S | * | * | | | trans | -82 | 119.9 | 165 | -74.1 | -75.6 | 0 | 0 | 0 | 110.5 | A218 R222 | A218-Y220 HydrophobicContact CB-CD2 4.24Å; A218-Y220 PolarHBondContact O-N 3.05Å; Y220-R222 PolarHBondContact O-N 3.4Å |
| 221 | T | 35.9 | Very low | 52.4 | Low | 114 Ų | 114 | 146.2 Ų | 146.2 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | | | trans | -53.3 | 118.2 | -172.3 | 45.8 | 0 | 0 | 0 | 0 | 112.5 | L223 | T221-L223 PolarHBondContact O-N 3.2Š|
| 222 | R | 39.6 | Very low | 55.3 | Low | 247 Ų | 247 | 147.5 Ų | 147.5 | 93% | 0.932 | 69% | 0.691 | S | S | * | * | | | trans | -69.6 | 76.9 | 158.7 | -75.6 | -167.8 | 176.9 | -156.9 | 1.6 | 109.4 | Y220 S224 | Y220-R222 PolarHBondContact O-N 3.4Å; R222-S224 VanDerWaalsContact C-N 3.3Å; R222-S224 PolarHBondContact O-N 3.25Å |
| 223 | L | 40.3 | Very low | 58.3 | Low | 135 Ų | 135 | 140.6 Ų | 140.6 | 71% | 0.707 | 67% | 0.668 | S | S | * | * | | | trans | -59.2 | 97.8 | 161.4 | -86.6 | 165.1 | 0 | 0 | 0 | 107.4 | T221 H225 | T221-L223 PolarHBondContact O-N 3.2Å; L223-H225 PolarHBondContact O-N 3.41Å |
| 224 | S | 47.4 | Very low | 60.8 | Low | 110 Ų | 110 | 138.8 Ų | 138.8 | 77% | 0.769 | 66% | 0.655 | S | S | * | * | | | trans | -71.5 | 78.4 | 179.6 | -168.3 | 0 | 0 | 0 | 0 | 109.4 | R222 K226 | R222-S224 VanDerWaalsContact C-N 3.3Å; R222-S224 PolarHBondContact O-N 3.25Å; S224-K226 PolarHBondContact O-N 3.01Å |
| 225 | H | 53.4 | Low | 63.3 | Low | 162 Ų | 162 | 136.8 Ų | 136.8 | 75% | 0.75 | 64% | 0.64 | S | S | * | * | | | trans | -57.5 | 104.4 | 167 | -88.8 | 12.4 | 0 | 0 | 0 | 107.9 | L223 E227 | L223-H225 PolarHBondContact O-N 3.41Å; H225-E227 PolarHBondContact O-N 3.19Å |
| 226 | K | 70.5 | Confident | 65.9 | Low | 187 Ų | 187 | 130.4 Ų | 130.4 | 81% | 0.813 | 62% | 0.62 | S | S | * | * | | | trans | -57.4 | 104.6 | 174 | -67.6 | -175.4 | 178.6 | -177.7 | 0 | 107.5 | S224 T228 | S224-K226 PolarHBondContact O-N 3.01Å; K226-T228 PolarHBondContact O-N 2.68Å |
| 227 | E | 72.6 | Confident | 68.7 | Low | 56 Ų | 56 | 126.5 Ų | 126.5 | 26% | 0.262 | 61% | 0.607 | S | S | . | * | | | trans | -49.1 | 116.7 | -168.4 | -174.8 | 174 | 158 | 0 | 0 | 110.6 | H225 E231 R232 K235 | H225-E227 PolarHBondContact O-N 3.19Å; E227-E231 HydrophobicContact CG-CB 3.84Å; E227-E231 HydrophobicContact CG-CG 3.92Å; E227-R232 HydrophobicContact CB-CG 4.2Å; E227-R232 HydrophobicContact CG-CG 3.66Å; E227-R232 PolarHBondContact O-NE 3.19Å; E227-R232 PolarHBondContact O-NH2 3.26Å; E227-R232 WeakPolarHBondContact OE1-CA 3.37Å; E227-R232 PolarHBondContact OE1-N 3.03Å; E227-K235 WeakPolarHBondContact OE1-CD 3.42Å; E227-K235 VanDerWaalsContact OE1-CE 3.24Å; E227-K235 WeakPolarHBondContact OE1-CE 3.05Å; E227-K235 IonicContact OE1-NZ 2.71Å; E227-K235 PolarHBondContact OE1-NZ 2.63Å; E227-K235 IonicContact OE2-NZ 2.59Å; E227-K235 PolarHBondContact OE2-NZ 2.86Å |
| 228 | T | 85.8 | Confident | 71.5 | Confident | 75 Ų | 75 | 123.8 Ų | 123.8 | 46% | 0.46 | 60% | 0.6 | S | S | . | * | | | trans | -65.4 | 150.7 | -171.7 | 62.9 | 0 | 0 | 0 | 0 | 110.3 | K226 S230 E231 R232 | K226-T228 PolarHBondContact O-N 2.68Å; T228-S230 PolarHBondContact O-N 3.17Å; T228-S230 PolarHBondContact OG1-OG 2.8Å; T228-E231 WeakPolarHBondContact O-CA 3.4Å; T228-E231 WeakPolarHBondContact O-CB 3.34Å; T228-E231 PolarHBondContact O-N 3.23Å; T228-E231 WeakPolarHBondContact OG1-CB 3.32Å; T228-E231 PolarHBondContact OG1-N 3.24Å; T228-R232 PolarHBondContact O-N 2.86Å |
| 229 | Q | 85.1 | Confident | 74.5 | Confident | 147 Ų | 147 | 123.3 Ų | 123.3 | 69% | 0.687 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -56.7 | -38.6 | -176.1 | -161.8 | -154 | 18.9 | 0 | 0 | 112 | R232 H233 | Q229-R232 PolarHBondContact O-N 3.1Å; Q229-H233 PolarHBondContact NE2-NE2 2.92Å; Q229-H233 PolarHBondContact O-CD2 2.9Å; Q229-H233 PolarHBondContact O-N 3.15Å |
| 230 | S | 88.6 | Confident | 76.8 | Confident | 79 Ų | 79 | 118.9 Ų | 118.9 | 55% | 0.552 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.7 | -39.9 | 173.9 | 41.7 | 0 | 0 | 0 | 0 | 112.9 | T228 H233 V234 | T228-S230 PolarHBondContact O-N 3.17Å; T228-S230 PolarHBondContact OG1-OG 2.8Å; S230-H233 PolarHBondContact O-N 3.05Å; S230-V234 WeakPolarHBondContact O-CB 3.21Å; S230-V234 VanDerWaalsContact O-CG2 3.3Å; S230-V234 WeakPolarHBondContact O-CG2 3.33Å; S230-V234 PolarHBondContact O-N 3.08Å |
| 231 | E | 92.1 | Very high | 79.6 | Confident | 75 Ų | 75 | 112.4 Ų | 112.4 | 35% | 0.35 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.3 | -42.4 | 174.5 | -165.3 | -169.5 | 154.1 | 0 | 0 | 111.4 | E227 T228 V234 K235 | E227-E231 HydrophobicContact CG-CB 3.84Å; E227-E231 HydrophobicContact CG-CG 3.92Å; T228-E231 WeakPolarHBondContact O-CA 3.4Å; T228-E231 WeakPolarHBondContact O-CB 3.34Å; T228-E231 PolarHBondContact O-N 3.23Å; T228-E231 WeakPolarHBondContact OG1-CB 3.32Å; T228-E231 PolarHBondContact OG1-N 3.24Å; E231-V234 CarbonylContact O-C 3.55Å; E231-V234 WeakPolarHBondContact O-CA 3.47Å; E231-V234 WeakPolarHBondContact O-CB 3.45Å; E231-V234 PolarHBondContact O-N 3.47Å; E231-K235 PolarHBondContact O-N 3.36Å; E231-K235 WeakPolarHBondContact OE1-CE 3.34Å; E231-K235 IonicContact OE1-NZ 2.73Å; E231-K235 PolarHBondContact OE1-NZ 2.73Å |
| 232 | R | 92.5 | Very high | 82.5 | Confident | 148 Ų | 148 | 113.7 Ų | 113.7 | 56% | 0.558 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -58.7 | -49.9 | 173.9 | -61.3 | -175.9 | -162 | -156 | -1 | 111.4 | E227 T228 Q229 V234 K235 E236 | E227-R232 HydrophobicContact CB-CG 4.2Å; E227-R232 HydrophobicContact CG-CG 3.66Å; E227-R232 PolarHBondContact O-NE 3.19Å; E227-R232 PolarHBondContact O-NH2 3.26Å; E227-R232 WeakPolarHBondContact OE1-CA 3.37Å; E227-R232 PolarHBondContact OE1-N 3.03Å; T228-R232 PolarHBondContact O-N 2.86Å; Q229-R232 PolarHBondContact O-N 3.1Å; R232-V234 PolarHBondContact O-N 3Å; R232-K235 PolarHBondContact O-N 3.07Å; R232-K235 VanDerWaalsContact O-N 3.15Å; R232-E236 WeakPolarHBondContact O-CB 3Å; R232-E236 PolarHBondContact O-N 2.87Å |
| 233 | H | 95.3 | Very high | 85.2 | Confident | 91 Ų | 91 | 107.3 Ų | 107.3 | 42% | 0.421 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -56.8 | -36.6 | 174.5 | -77.8 | -59.6 | 0 | 0 | 0 | 111.9 | Q229 S230 T237 | Q229-H233 PolarHBondContact NE2-NE2 2.92Å; Q229-H233 PolarHBondContact O-CD2 2.9Å; Q229-H233 PolarHBondContact O-N 3.15Å; S230-H233 PolarHBondContact O-N 3.05Å; H233-T237 WeakPolarHBondContact O-CB 3.36Å; H233-T237 PolarHBondContact O-N 2.95Å; H233-T237 PolarHBondContact O-OG1 3Å |
| 234 | V | 96.2 | Very high | 87.8 | Confident | 71 Ų | 71 | 105.5 Ų | 105.5 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.1 | -41.2 | 175.8 | 165.8 | 0 | 0 | 0 | 0 | 112.2 | S230 E231 R232 K238 | S230-V234 WeakPolarHBondContact O-CB 3.21Å; S230-V234 VanDerWaalsContact O-CG2 3.3Å; S230-V234 WeakPolarHBondContact O-CG2 3.33Å; S230-V234 PolarHBondContact O-N 3.08Å; E231-V234 CarbonylContact O-C 3.55Å; E231-V234 WeakPolarHBondContact O-CA 3.47Å; E231-V234 WeakPolarHBondContact O-CB 3.45Å; E231-V234 PolarHBondContact O-N 3.47Å; R232-V234 PolarHBondContact O-N 3Å; V234-K238 HydrophobicContact CG1-CD 4Å; V234-K238 WeakPolarHBondContact O-CB 3.27Å; V234-K238 WeakPolarHBondContact O-CG 3.49Å; V234-K238 PolarHBondContact O-N 3.45Å |
| 235 | K | 95.7 | Very high | 90.1 | Very high | 96 Ų | 96 | 101.7 Ų | 101.7 | 42% | 0.417 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68 | -41.7 | 175.5 | -68.7 | -170.7 | -159 | 161.2 | 0 | 111.5 | E227 E231 R232 K238 S239 | E227-K235 WeakPolarHBondContact OE1-CD 3.42Å; E227-K235 VanDerWaalsContact OE1-CE 3.24Å; E227-K235 WeakPolarHBondContact OE1-CE 3.05Å; E227-K235 IonicContact OE1-NZ 2.71Å; E227-K235 PolarHBondContact OE1-NZ 2.63Å; E227-K235 IonicContact OE2-NZ 2.59Å; E227-K235 PolarHBondContact OE2-NZ 2.86Å; E231-K235 PolarHBondContact O-N 3.36Å; E231-K235 WeakPolarHBondContact OE1-CE 3.34Å; E231-K235 IonicContact OE1-NZ 2.73Å; E231-K235 PolarHBondContact OE1-NZ 2.73Å; R232-K235 PolarHBondContact O-N 3.07Å; R232-K235 VanDerWaalsContact O-N 3.15Å; K235-K238 PolarHBondContact O-N 2.92Å; K235-S239 WeakPolarHBondContact O-CB 3.18Å; K235-S239 PolarHBondContact O-N 3.29Å |
| 236 | E | 95.9 | Very high | 92.1 | Very high | 92 Ų | 92 | 99 Ų | 99 | 43% | 0.43 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 173.7 | -167.4 | -166.8 | 174.7 | 0 | 0 | 111.2 | R232 K238 S239 K240 | R232-E236 WeakPolarHBondContact O-CB 3Å; R232-E236 PolarHBondContact O-N 2.87Å; E236-K238 PolarHBondContact O-N 3.29Å; E236-S239 WeakPolarHBondContact O-CB 3.44Å; E236-S239 PolarHBondContact O-N 3.36Å; E236-S239 VanDerWaalsContact O-N 3.16Å; E236-K240 HydrophobicContact CG-CD 4.38Å; E236-K240 WeakPolarHBondContact O-CG 3.37Å; E236-K240 PolarHBondContact O-N 3.22Å; E236-K240 WeakPolarHBondContact OE1-CE 3.38Å; E236-K240 IonicContact OE1-NZ 3.66Å; E236-K240 PolarHBondContact OE1-NZ 3.13Å |
| 237 | T | 97.1 | Very high | 93.3 | Very high | 80 Ų | 80 | 95.6 Ų | 95.6 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 175.9 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | H233 S239 K240 C241 | H233-T237 WeakPolarHBondContact O-CB 3.36Å; H233-T237 PolarHBondContact O-N 2.95Å; H233-T237 PolarHBondContact O-OG1 3Å; T237-S239 VanDerWaalsContact C-N 3.3Å; T237-S239 PolarHBondContact O-N 2.89Å; T237-K240 PolarHBondContact O-N 3.3Å; T237-C241 WeakPolarHBondContact O-CB 3.41Å; T237-C241 PolarHBondContact O-N 2.87Å; T237-C241 PolarHBondContact O-SG 2.83Å |
| 238 | K | 97.1 | Very high | 94.3 | Very high | 144 Ų | 144 | 95.5 Ų | 95.5 | 63% | 0.626 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.2 | -40.7 | 173 | -76.6 | 168.4 | 178.8 | 176 | 0 | 111.6 | V234 K235 E236 C241 K242 | V234-K238 HydrophobicContact CG1-CD 4Å; V234-K238 WeakPolarHBondContact O-CB 3.27Å; V234-K238 WeakPolarHBondContact O-CG 3.49Å; V234-K238 PolarHBondContact O-N 3.45Å; K235-K238 PolarHBondContact O-N 2.92Å; E236-K238 PolarHBondContact O-N 3.29Å; K238-C241 PolarHBondContact O-N 3.47Å; K238-K242 WeakPolarHBondContact O-CB 3.49Å; K238-K242 PolarHBondContact O-N 2.86Å |
| 239 | S | 97.2 | Very high | 94.7 | Very high | 73 Ų | 73 | 96.1 Ų | 96.1 | 51% | 0.51 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.6 | -49.8 | 176.8 | -167 | 0 | 0 | 0 | 0 | 111.8 | K235 E236 T237 C241 K242 Q243 | K235-S239 WeakPolarHBondContact O-CB 3.18Å; K235-S239 PolarHBondContact O-N 3.29Å; E236-S239 WeakPolarHBondContact O-CB 3.44Å; E236-S239 PolarHBondContact O-N 3.36Å; E236-S239 VanDerWaalsContact O-N 3.16Å; T237-S239 VanDerWaalsContact C-N 3.3Å; T237-S239 PolarHBondContact O-N 2.89Å; S239-C241 VanDerWaalsContact C-N 3.33Å; S239-C241 PolarHBondContact O-N 3.36Å; S239-K242 WeakPolarHBondContact O-CA 3.37Å; S239-K242 WeakPolarHBondContact O-CB 3.45Å; S239-K242 PolarHBondContact O-N 3.28Å; S239-Q243 PolarHBondContact O-N 3.46Å |
| 240 | K | 97.6 | Very high | 95 | Very high | 104 Ų | 104 | 95.2 Ų | 95.2 | 45% | 0.452 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.8 | -43.3 | 174.5 | -71.3 | 174.1 | -179.3 | 171.8 | 0 | 111.8 | E236 T237 Q243 I244 | E236-K240 HydrophobicContact CG-CD 4.38Å; E236-K240 WeakPolarHBondContact O-CG 3.37Å; E236-K240 PolarHBondContact O-N 3.22Å; E236-K240 WeakPolarHBondContact OE1-CE 3.38Å; E236-K240 IonicContact OE1-NZ 3.66Å; E236-K240 PolarHBondContact OE1-NZ 3.13Å; T237-K240 PolarHBondContact O-N 3.3Å; K240-Q243 PolarHBondContact O-N 3.24Å; K240-I244 VanDerWaalsContact O-CG1 3.28Å; K240-I244 WeakPolarHBondContact O-CG1 3.22Å; K240-I244 PolarHBondContact O-N 2.97Å |
| 241 | C | 96.1 | Very high | 95.1 | Very high | 75 Ų | 75 | 92.4 Ų | 92.4 | 51% | 0.507 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.6 | -37.2 | 174 | -70.9 | 0 | 0 | 0 | 0 | 113 | T237 K238 S239 A245 | T237-C241 WeakPolarHBondContact O-CB 3.41Å; T237-C241 PolarHBondContact O-N 2.87Å; T237-C241 PolarHBondContact O-SG 2.83Å; K238-C241 PolarHBondContact O-N 3.47Å; S239-C241 VanDerWaalsContact C-N 3.33Å; S239-C241 PolarHBondContact O-N 3.36Å; C241-A245 VanDerWaalsContact O-CB 3.28Å; C241-A245 WeakPolarHBondContact O-CB 3.41Å; C241-A245 PolarHBondContact O-N 3.09Å |
| 242 | K | 96.2 | Very high | 95 | Very high | 140 Ų | 140 | 95.6 Ų | 95.6 | 61% | 0.609 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.5 | -44.5 | 174.3 | -176.8 | -176.2 | 177.6 | -173.9 | 0 | 111.3 | K238 S239 A245 Q246 | K238-K242 WeakPolarHBondContact O-CB 3.49Å; K238-K242 PolarHBondContact O-N 2.86Å; S239-K242 WeakPolarHBondContact O-CA 3.37Å; S239-K242 WeakPolarHBondContact O-CB 3.45Å; S239-K242 PolarHBondContact O-N 3.28Å; K242-A245 PolarHBondContact O-N 2.91Å; K242-Q246 WeakPolarHBondContact O-CG 3.34Å; K242-Q246 PolarHBondContact O-N 3.37Å |
| 243 | Q | 97.3 | Very high | 94.8 | Very high | 114 Ų | 114 | 93 Ų | 93 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 176.5 | -170.6 | -177.2 | 14.7 | 0 | 0 | 111.6 | S239 K240 A245 Q246 L247 | S239-Q243 PolarHBondContact O-N 3.46Å; K240-Q243 PolarHBondContact O-N 3.24Å; Q243-A245 VanDerWaalsContact C-N 3.31Å; Q243-A245 PolarHBondContact O-N 2.95Å; Q243-Q246 WeakPolarHBondContact O-CB 3.45Å; Q243-Q246 PolarHBondContact O-N 3.23Å; Q243-L247 WeakPolarHBondContact O-CG 3.25Å; Q243-L247 PolarHBondContact O-N 3.4Å |
| 244 | I | 95 | Very high | 94.5 | Very high | 96 Ų | 96 | 93.4 Ų | 93.4 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 175.3 | -67 | 164.8 | 0 | 0 | 0 | 111 | K240 L247 L248 | K240-I244 VanDerWaalsContact O-CG1 3.28Å; K240-I244 WeakPolarHBondContact O-CG1 3.22Å; K240-I244 PolarHBondContact O-N 2.97Å; I244-L247 PolarHBondContact O-N 3.15Å; I244-L248 HydrophobicContact CG2-CD1 3.95Å; I244-L248 HydrophobicContact CG2-CG 4.43Å; I244-L248 WeakPolarHBondContact O-CB 3.28Å; I244-L248 VanDerWaalsContact O-CG 3.29Å; I244-L248 WeakPolarHBondContact O-CG 3.49Å; I244-L248 PolarHBondContact O-N 3.22Å |
| 245 | A | 95.2 | Very high | 94.2 | Very high | 31 Ų | 31 | 96.5 Ų | 96.5 | 26% | 0.256 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | C241 K242 Q243 L248 V249 F262 | C241-A245 VanDerWaalsContact O-CB 3.28Å; C241-A245 WeakPolarHBondContact O-CB 3.41Å; C241-A245 PolarHBondContact O-N 3.09Å; K242-A245 PolarHBondContact O-N 2.91Å; Q243-A245 VanDerWaalsContact C-N 3.31Å; Q243-A245 PolarHBondContact O-N 2.95Å; A245-L248 PolarHBondContact O-N 3.35Å; A245-V249 WeakPolarHBondContact O-CG2 3.43Å; A245-V249 PolarHBondContact O-N 3.11Å; A245-F262 HydrophobicContact CB-CE2 3.92Å; A245-F262 HydrophobicContact CB-CZ 4.04Å |
| 246 | Q | 94.9 | Very high | 94.1 | Very high | 106 Ų | 106 | 96.3 Ų | 96.3 | 50% | 0.495 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 173.9 | -73.6 | 171 | -24.3 | 0 | 0 | 111.8 | K242 Q243 L248 V249 N250 | K242-Q246 WeakPolarHBondContact O-CG 3.34Å; K242-Q246 PolarHBondContact O-N 3.37Å; Q243-Q246 WeakPolarHBondContact O-CB 3.45Å; Q243-Q246 PolarHBondContact O-N 3.23Å; Q246-L248 VanDerWaalsContact C-N 3.25Å; Q246-L248 PolarHBondContact O-N 3.24Å; Q246-V249 PolarHBondContact O-N 3.32Å; Q246-V249 VanDerWaalsContact O-N 3.15Å; Q246-N250 PolarHBondContact O-N 2.94Å |
| 247 | L | 95.4 | Very high | 94.1 | Very high | 115 Ų | 115 | 100.2 Ų | 100.2 | 60% | 0.602 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63 | -28.9 | 175 | -68 | 171.3 | 0 | 0 | 0 | 113.2 | Q243 I244 A251 | Q243-L247 WeakPolarHBondContact O-CG 3.25Å; Q243-L247 PolarHBondContact O-N 3.4Å; I244-L247 PolarHBondContact O-N 3.15Å; L247-A251 VanDerWaalsContact O-CA 3.31Å; L247-A251 WeakPolarHBondContact O-CA 3.4Å; L247-A251 WeakPolarHBondContact O-CB 3.21Å; L247-A251 PolarHBondContact O-N 2.99Å |
| 248 | L | 94.9 | Very high | 94 | Very high | 54 Ų | 54 | 97.7 Ų | 97.7 | 28% | 0.283 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -84.8 | -17.6 | 175.2 | -69.6 | 173.4 | 0 | 0 | 0 | 114 | I244 A245 Q246 F262 | I244-L248 HydrophobicContact CG2-CD1 3.95Å; I244-L248 HydrophobicContact CG2-CG 4.43Å; I244-L248 WeakPolarHBondContact O-CB 3.28Å; I244-L248 VanDerWaalsContact O-CG 3.29Å; I244-L248 WeakPolarHBondContact O-CG 3.49Å; I244-L248 PolarHBondContact O-N 3.22Å; A245-L248 PolarHBondContact O-N 3.35Å; Q246-L248 VanDerWaalsContact C-N 3.25Å; Q246-L248 PolarHBondContact O-N 3.24Å; L248-F262 HydrophobicContact CB-CB 4.17Å; L248-F262 HydrophobicContact CB-CD1 4.37Å; L248-F262 HydrophobicContact CB-CD2 4.22Å; L248-F262 HydrophobicContact CB-CG 3.99Å; L248-F262 HydrophobicContact CD1-CB 4.36Å; L248-F262 HydrophobicContact CD1-CD2 4.09Å; L248-F262 HydrophobicContact CD1-CG 4.43Å |
| 249 | V | 93.1 | Very high | 93.9 | Very high | 87 Ų | 87 | 91.1 Ų | 91.1 | 53% | 0.527 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -82.1 | -49 | 169 | 173.1 | 0 | 0 | 0 | 0 | 110 | A245 Q246 A251 F262 | A245-V249 WeakPolarHBondContact O-CG2 3.43Å; A245-V249 PolarHBondContact O-N 3.11Å; Q246-V249 PolarHBondContact O-N 3.32Å; Q246-V249 VanDerWaalsContact O-N 3.15Å; V249-A251 VanDerWaalsContact C-N 3.25Å; V249-A251 PolarHBondContact O-N 2.78Å; V249-F262 HydrophobicContact CG2-CD1 4.26Å; V249-F262 HydrophobicContact CG2-CE1 3.47Å; V249-F262 VanDerWaalsContact CG2-CE1 3.47Å; V249-F262 HydrophobicContact CG2-CZ 4.1Å |
| 250 | N | 92.7 | Very high | 93.8 | Very high | 128 Ų | 128 | 90.2 Ų | 90.2 | 68% | 0.684 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -92.5 | 32.3 | -177.8 | -61 | -5.8 | 0 | 0 | 0 | 111.8 | Q246 P252 | Q246-N250 PolarHBondContact O-N 2.94Å; N250-P252 WeakPolarHBondContact O-CD 3.34Å |
| 251 | A | 90.6 | Very high | 93.8 | Very high | 20 Ų | 20 | 90.6 Ų | 90.6 | 17% | 0.165 | 49% | 0.491 | C | S | . | . | | | trans | -67.6 | 124.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111 | L247 V249 N253 A259 | L247-A251 VanDerWaalsContact O-CA 3.31Å; L247-A251 WeakPolarHBondContact O-CA 3.4Å; L247-A251 WeakPolarHBondContact O-CB 3.21Å; L247-A251 PolarHBondContact O-N 2.99Å; V249-A251 VanDerWaalsContact C-N 3.25Å; V249-A251 PolarHBondContact O-N 2.78Å; A251-N253 CarbonylContact O-C 3.52Å; A251-N253 PolarHBondContact O-N 3.02Å; A251-A259 HydrophobicContact CB-CB 3.85Å |
| 252 | P | 89.6 | Confident | 93.8 | Very high | 142 Ų | 142 | 90 Ų | 90 | 92% | 0.922 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -57.7 | -21.3 | -179.9 | -27.8 | 35.7 | 0 | 0 | 0 | 114.7 | N250 | N250-P252 WeakPolarHBondContact O-CD 3.34Š|
| 253 | N | 88.8 | Confident | 93.7 | Very high | 95 Ų | 95 | 89.1 Ų | 89.1 | 51% | 0.508 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -120.6 | 102.7 | 165.8 | -176.6 | -27.3 | 0 | 0 | 0 | 109.3 | A251 Q255 N256 | A251-N253 CarbonylContact O-C 3.52Å; A251-N253 PolarHBondContact O-N 3.02Å; N253-Q255 PolarHBondContact O-N 3.01Å; N253-Q255 WeakPolarHBondContact OD1-CA 3.36Å; N253-Q255 WeakPolarHBondContact OD1-CB 3.49Å; N253-Q255 PolarHBondContact OD1-N 2.92Å; N253-N256 VanDerWaalsContact O-CB 3.28Å; N253-N256 WeakPolarHBondContact O-CB 3.39Å; N253-N256 PolarHBondContact O-N 3.16Å; N253-N256 VanDerWaalsContact O-N 3.15Å; N253-N256 PolarHBondContact OD1-N 2.85Å |
| 254 | P | 87.4 | Confident | 93.7 | Very high | 98 Ų | 98 | 89 Ų | 89 | 64% | 0.636 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -13.8 | -178.1 | 28.4 | -35.5 | 0 | 0 | 0 | 113.6 | | |
| 255 | Q | 89.4 | Confident | 93.7 | Very high | 137 Ų | 137 | 92 Ų | 92 | 64% | 0.64 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -0.2 | 176.6 | -164.7 | 68.5 | -47.6 | 0 | 0 | 112.4 | N253 K257 | N253-Q255 PolarHBondContact O-N 3.01Å; N253-Q255 WeakPolarHBondContact OD1-CA 3.36Å; N253-Q255 WeakPolarHBondContact OD1-CB 3.49Å; N253-Q255 PolarHBondContact OD1-N 2.92Å; Q255-K257 PolarHBondContact O-N 3.36Å |
| 256 | N | 94 | Very high | 93.6 | Very high | 92 Ų | 92 | 99 Ų | 99 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -55.7 | 134 | 169 | -176.9 | -44.5 | 0 | 0 | 0 | 109.9 | N253 G258 A259 L260 | N253-N256 VanDerWaalsContact O-CB 3.28Å; N253-N256 WeakPolarHBondContact O-CB 3.39Å; N253-N256 PolarHBondContact O-N 3.16Å; N253-N256 VanDerWaalsContact O-N 3.15Å; N253-N256 PolarHBondContact OD1-N 2.85Å; N256-G258 PolarHBondContact O-N 3.33Å; N256-G258 PolarHBondContact OD1-N 2.81Å; N256-A259 HydrophobicContact CB-CB 4.46Å; N256-A259 PolarHBondContact O-N 3.29Å; N256-L260 PolarHBondContact O-N 3.09Å |
| 257 | K | 95.7 | Very high | 93.5 | Very high | 173 Ų | 173 | 99.2 Ų | 99.2 | 75% | 0.752 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -49.3 | -36.7 | -179.5 | -66 | 178.4 | -179.1 | 174.8 | 0 | 113 | Q255 L261 | Q255-K257 PolarHBondContact O-N 3.36Å; K257-L261 VanDerWaalsContact O-CB 3.27Å; K257-L261 WeakPolarHBondContact O-CB 3.31Å; K257-L261 WeakPolarHBondContact O-CD1 3.45Å; K257-L261 WeakPolarHBondContact O-CG 3.33Å; K257-L261 PolarHBondContact O-N 3.14Å |
| 258 | G | 94.9 | Very high | 93.6 | Very high | 27 Ų | 27 | 99.6 Ų | 99.6 | 28% | 0.278 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.3 | -52.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N256 L260 L261 F262 | N256-G258 PolarHBondContact O-N 3.33Å; N256-G258 PolarHBondContact OD1-N 2.81Å; G258-L260 PolarHBondContact O-N 2.8Å; G258-L261 PolarHBondContact O-N 3.33Å; G258-F262 WeakPolarHBondContact O-CB 3.42Å; G258-F262 PolarHBondContact O-N 3.29Å |
| 259 | A | 95.8 | Very high | 93.5 | Very high | 7 Ų | 7 | 99.8 Ų | 99.8 | 6% | 0.058 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | A251 N256 F262 K263 | A251-A259 HydrophobicContact CB-CB 3.85Å; N256-A259 HydrophobicContact CB-CB 4.46Å; N256-A259 PolarHBondContact O-N 3.29Å; A259-F262 PolarHBondContact O-N 2.99Å; A259-K263 WeakPolarHBondContact O-CB 3.29Å; A259-K263 PolarHBondContact O-N 2.9Å |
| 260 | L | 95.8 | Very high | 93.5 | Very high | 53 Ų | 53 | 102.6 Ų | 102.6 | 28% | 0.277 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 176.4 | -176.1 | 63.2 | 0 | 0 | 0 | 112.3 | N256 G258 K264 | N256-L260 PolarHBondContact O-N 3.09Å; G258-L260 PolarHBondContact O-N 2.8Å; L260-K264 HydrophobicContact CD1-CD 4.49Å; L260-K264 HydrophobicContact CG-CD 4.45Å; L260-K264 WeakPolarHBondContact O-CB 3.47Å; L260-K264 WeakPolarHBondContact O-CG 3.41Å; L260-K264 PolarHBondContact O-N 2.87Å |
| 261 | L | 96.6 | Very high | 93.3 | Very high | 113 Ų | 113 | 104.4 Ų | 104.4 | 59% | 0.592 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.9 | -38 | 174.5 | -75.4 | 171.2 | 0 | 0 | 0 | 111.8 | K257 G258 R265 | K257-L261 VanDerWaalsContact O-CB 3.27Å; K257-L261 WeakPolarHBondContact O-CB 3.31Å; K257-L261 WeakPolarHBondContact O-CD1 3.45Å; K257-L261 WeakPolarHBondContact O-CG 3.33Å; K257-L261 PolarHBondContact O-N 3.14Å; G258-L261 PolarHBondContact O-N 3.33Å; L261-R265 WeakPolarHBondContact O-CB 2.87Å; L261-R265 PolarHBondContact O-N 2.93Å |
| 262 | F | 96.4 | Very high | 92.9 | Very high | 62 Ų | 62 | 111.6 Ų | 111.6 | 27% | 0.272 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.1 | -49.5 | 173.6 | -174.7 | -90 | 0 | 0 | 0 | 111.3 | A245 L248 V249 G258 A259 K264 R265 R266 | A245-F262 HydrophobicContact CB-CE2 3.92Å; A245-F262 HydrophobicContact CB-CZ 4.04Å; L248-F262 HydrophobicContact CB-CB 4.17Å; L248-F262 HydrophobicContact CB-CD1 4.37Å; L248-F262 HydrophobicContact CB-CD2 4.22Å; L248-F262 HydrophobicContact CB-CG 3.99Å; L248-F262 HydrophobicContact CD1-CB 4.36Å; L248-F262 HydrophobicContact CD1-CD2 4.09Å; L248-F262 HydrophobicContact CD1-CG 4.43Å; V249-F262 HydrophobicContact CG2-CD1 4.26Å; V249-F262 HydrophobicContact CG2-CE1 3.47Å; V249-F262 VanDerWaalsContact CG2-CE1 3.47Å; V249-F262 HydrophobicContact CG2-CZ 4.1Å; G258-F262 WeakPolarHBondContact O-CB 3.42Å; G258-F262 PolarHBondContact O-N 3.29Å; A259-F262 PolarHBondContact O-N 2.99Å; F262-K264 PolarHBondContact O-N 2.99Å; F262-R265 CarbonylContact O-C 3.55Å; F262-R265 PolarHBondContact O-N 2.73Å; F262-R265 VanDerWaalsContact O-N 3.09Å; F262-R266 PolarHBondContact O-N 3.45Å |
| 263 | K | 94.3 | Very high | 92.6 | Very high | 121 Ų | 121 | 108.9 Ų | 108.9 | 53% | 0.526 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -55.7 | -50.4 | 174.4 | -172 | 174 | -179.2 | 177.9 | 0 | 111.2 | A259 R265 R266 Q267 | A259-K263 WeakPolarHBondContact O-CB 3.29Å; A259-K263 PolarHBondContact O-N 2.9Å; K263-R265 VanDerWaalsContact C-N 3.32Å; K263-R265 PolarHBondContact O-N 3.26Å; K263-R266 PolarHBondContact O-N 3.5Å; K263-Q267 WeakPolarHBondContact O-CB 3.32Å; K263-Q267 WeakPolarHBondContact O-CG 3.41Å; K263-Q267 PolarHBondContact O-N 2.94Å |
| 264 | K | 96.3 | Very high | 91.1 | Very high | 112 Ų | 112 | 111 Ų | 111 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.1 | -28.1 | 176.1 | -72.8 | -176.7 | 177 | -175.1 | 0 | 113.3 | L260 F262 R268 | L260-K264 HydrophobicContact CD1-CD 4.49Å; L260-K264 HydrophobicContact CG-CD 4.45Å; L260-K264 WeakPolarHBondContact O-CB 3.47Å; L260-K264 WeakPolarHBondContact O-CG 3.41Å; L260-K264 PolarHBondContact O-N 2.87Å; F262-K264 PolarHBondContact O-N 2.99Å; K264-R268 WeakPolarHBondContact O-CG 3.47Å; K264-R268 PolarHBondContact O-N 2.81Å; K264-R268 PolarHBondContact O-NE 3.05Å |
| 265 | R | 95.8 | Very high | 89.4 | Confident | 160 Ų | 160 | 112.3 Ų | 112.3 | 60% | 0.604 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -74.8 | -46 | 171.8 | 179.2 | 57.2 | 175.7 | 167.5 | 0.4 | 111.2 | L261 F262 K263 Q267 R268 V269 | L261-R265 WeakPolarHBondContact O-CB 2.87Å; L261-R265 PolarHBondContact O-N 2.93Å; F262-R265 CarbonylContact O-C 3.55Å; F262-R265 PolarHBondContact O-N 2.73Å; F262-R265 VanDerWaalsContact O-N 3.09Å; K263-R265 VanDerWaalsContact C-N 3.32Å; K263-R265 PolarHBondContact O-N 3.26Å; R265-Q267 PolarHBondContact O-N 2.86Å; R265-R268 PolarHBondContact O-N 2.87Å; R265-V269 WeakPolarHBondContact O-CG2 3.41Å; R265-V269 PolarHBondContact O-N 3.3Å |
| 266 | R | 93.7 | Very high | 87.5 | Confident | 177 Ų | 177 | 110 Ų | 110 | 67% | 0.668 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.2 | -41.6 | 176.9 | -169.2 | -179.7 | -176.7 | -136.6 | 0.8 | 111.8 | F262 K263 V269 K270 | F262-R266 PolarHBondContact O-N 3.45Å; K263-R266 PolarHBondContact O-N 3.5Å; R266-V269 PolarHBondContact O-N 3.34Å; R266-K270 PolarHBondContact O-N 3.11Å |
| 267 | Q | 93.3 | Very high | 85 | Confident | 110 Ų | 110 | 116.2 Ų | 116.2 | 51% | 0.514 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 173.2 | -75.6 | 171.2 | -40.2 | 0 | 0 | 112.2 | K263 R265 K270 K271 | K263-Q267 WeakPolarHBondContact O-CB 3.32Å; K263-Q267 WeakPolarHBondContact O-CG 3.41Å; K263-Q267 PolarHBondContact O-N 2.94Å; R265-Q267 PolarHBondContact O-N 2.86Å; Q267-K270 PolarHBondContact O-N 3.41Å; Q267-K271 WeakPolarHBondContact O-CB 3.44Å; Q267-K271 PolarHBondContact O-N 3.14Å |
| 268 | R | 95.6 | Very high | 82.9 | Confident | 124 Ų | 124 | 112.3 Ų | 112.3 | 47% | 0.468 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62 | -43 | 175 | -76.8 | 176.2 | -68.9 | 179.5 | 1.8 | 111.9 | K264 R265 K271 Y272 | K264-R268 WeakPolarHBondContact O-CG 3.47Å; K264-R268 PolarHBondContact O-N 2.81Å; K264-R268 PolarHBondContact O-NE 3.05Å; R265-R268 PolarHBondContact O-N 2.87Å; R268-K271 PolarHBondContact O-N 3.31Å; R268-Y272 HydrophobicContact CB-CD2 4.28Å; R268-Y272 HydrophobicContact CB-CE2 4.29Å; R268-Y272 HydrophobicContact CG-CE2 4.41Å; R268-Y272 WeakPolarHBondContact O-CD2 3.31Å; R268-Y272 PolarHBondContact O-N 3.44Å |
| 269 | V | 94.5 | Very high | 79.9 | Confident | 57 Ų | 57 | 117.1 Ų | 117.1 | 35% | 0.345 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62 | -48.1 | 175.1 | 173 | 0 | 0 | 0 | 0 | 110.8 | R265 R266 K271 Y272 T273 | R265-V269 WeakPolarHBondContact O-CG2 3.41Å; R265-V269 PolarHBondContact O-N 3.3Å; R266-V269 PolarHBondContact O-N 3.34Å; V269-K271 VanDerWaalsContact C-N 3.29Å; V269-K271 PolarHBondContact O-N 2.8Å; V269-Y272 PolarHBondContact O-N 3.07Å; V269-Y272 VanDerWaalsContact O-N 3.13Å; V269-T273 VanDerWaalsContact O-CB 3.22Å; V269-T273 WeakPolarHBondContact O-CB 3.41Å; V269-T273 PolarHBondContact O-N 2.99Å; V269-T273 PolarHBondContact O-OG1 3.15Å |
| 270 | K | 91.9 | Very high | 77.4 | Confident | 147 Ų | 147 | 119.8 Ų | 119.8 | 64% | 0.639 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -56.8 | -42.2 | 174.9 | -169 | 178.5 | -179.9 | -176.5 | 0 | 111.6 | R266 Q267 Y272 L274 | R266-K270 PolarHBondContact O-N 3.11Å; Q267-K270 PolarHBondContact O-N 3.41Å; K270-Y272 PolarHBondContact O-N 3.23Å; K270-L274 WeakPolarHBondContact O-CB 3.44Å; K270-L274 PolarHBondContact O-N 3.28Å |
| 271 | K | 89.7 | Confident | 74.5 | Confident | 165 Ų | 165 | 124 Ų | 124 | 72% | 0.717 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.5 | -27.1 | 178.8 | -174.1 | 165.3 | -177.6 | 168.8 | 0 | 114.4 | Q267 R268 V269 | Q267-K271 WeakPolarHBondContact O-CB 3.44Å; Q267-K271 PolarHBondContact O-N 3.14Å; R268-K271 PolarHBondContact O-N 3.31Å; V269-K271 VanDerWaalsContact C-N 3.29Å; V269-K271 PolarHBondContact O-N 2.8Å |
| 272 | Y | 80.7 | Confident | 71.6 | Confident | 171 Ų | 171 | 126 Ų | 126 | 67% | 0.671 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -110.7 | -0.6 | -175.9 | -62.2 | -55.1 | 0 | 0 | 0 | 114.8 | R268 V269 K270 | R268-Y272 HydrophobicContact CB-CD2 4.28Å; R268-Y272 HydrophobicContact CB-CE2 4.29Å; R268-Y272 HydrophobicContact CG-CE2 4.41Å; R268-Y272 WeakPolarHBondContact O-CD2 3.31Å; R268-Y272 PolarHBondContact O-N 3.44Å; V269-Y272 PolarHBondContact O-N 3.07Å; V269-Y272 VanDerWaalsContact O-N 3.13Å; K270-Y272 PolarHBondContact O-N 3.23Å |
| 273 | T | 83.1 | Confident | 68.5 | Low | 86 Ų | 86 | 126.2 Ų | 126.2 | 53% | 0.528 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -127.2 | -4.4 | -176.9 | -49.2 | 0 | 0 | 0 | 0 | 112.9 | V269 V275 | V269-T273 VanDerWaalsContact O-CB 3.22Å; V269-T273 WeakPolarHBondContact O-CB 3.41Å; V269-T273 PolarHBondContact O-N 2.99Å; V269-T273 PolarHBondContact O-OG1 3.15Å; T273-V275 PolarHBondContact O-N 3.26Å |
| 274 | L | 58.6 | Low | 65.7 | Low | 139 Ų | 139 | 129.2 Ų | 129.2 | 73% | 0.728 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 53.4 | 172.8 | -167.4 | 71.1 | 0 | 0 | 0 | 111.9 | K270 | K270-L274 WeakPolarHBondContact O-CB 3.44Å; K270-L274 PolarHBondContact O-N 3.28Å |
| 275 | V | 51.4 | Low | 62.6 | Low | 125 Ų | 125 | 130.6 Ų | 130.6 | 76% | 0.758 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.2 | 13.8 | -179.9 | -160 | 0 | 0 | 0 | 0 | 110.9 | T273 | T273-V275 PolarHBondContact O-N 3.26Š|
| 276 | S | 49.8 | Very low | 60 | Low | 88 Ų | 88 | 128.2 Ų | 128.2 | 62% | 0.615 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -148.1 | 33.4 | -163.8 | -51.2 | 0 | 0 | 0 | 0 | 115.6 | | |
| 277 | Y | 40.8 | Very low | 57.1 | Low | 223 Ų | 223 | 125.1 Ų | 125.1 | 88% | 0.875 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -136.6 | 134.5 | 153.9 | -72.5 | -73.1 | 0 | 0 | 0 | 108.6 | T279 | Y277-T279 PolarHBondContact O-N 2.87Š|
| 278 | G | 51.9 | Low | 54 | Low | 91 Ų | 91 | 123.8 Ų | 123.8 | 94% | 0.938 | 71% | 0.705 | S | S | * | * | | | trans | -78.9 | 80.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 279 | T | 32.4 | Very low | 50.9 | Low | 129 Ų | 129 | 126.8 Ų | 126.8 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | | | trans | -128.6 | 122.7 | 167.7 | -48.7 | 0 | 0 | 0 | 0 | 107.8 | Y277 | Y277-T279 PolarHBondContact O-N 2.87Š|
| 280 | G | 43.4 | Very low | 48 | Very low | 63 Ų | 63 | 131.6 Ų | 131.6 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | | | trans | -72.2 | -178.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 281 | V | 34.9 | Very low | 45.2 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | | | trans | 58.5 | 74.1 | 170.5 | -159.4 | 0 | 0 | 0 | 0 | 114.8 | A283 | V281-A283 HydrophobicContact CG1-CB 4.5Š|
| 282 | H | 35.8 | Very low | 42.4 | Very low | 154 Ų | 154 | 129.6 Ų | 129.6 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | trans | -112.5 | 68.6 | 140 | -166.2 | -51.4 | 0 | 0 | 0 | 108.8 | F284 | H282-F284 AromaticContact CE1-CD2 3.54Å; H282-F284 AromaticContact CE1-CE2 3.32Å; H282-F284 WeakPolarHBondContact CE1-CE2 3.45Å; H282-F284 AromaticContact CE1-CZ 3.98Å; H282-F284 AromaticContact ND1-CD2 3.61Å; H282-F284 AromaticContact ND1-CE2 3.84Å; H282-F284 PolarHBondContact O-N 3.33Å |
| 283 | A | 31.6 | Very low | 40.1 | Very low | 67 Ų | 67 | 129.9 Ų | 129.9 | 55% | 0.554 | 77% | 0.77 | S | S | * | * | | | trans | -63 | 107.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | V281 D285 | V281-A283 HydrophobicContact CG1-CB 4.5Å; A283-D285 HydrophobicContact CB-CB 4.28Å; A283-D285 PolarHBondContact O-N 2.97Å |
| 284 | F | 35.6 | Very low | 37.8 | Very low | 184 Ų | 184 | 132.3 Ų | 132.3 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | | | trans | -75.7 | 74.5 | 153.3 | -98.3 | -77.1 | 0 | 0 | 0 | 106.6 | H282 S286 | H282-F284 AromaticContact CE1-CD2 3.54Å; H282-F284 AromaticContact CE1-CE2 3.32Å; H282-F284 WeakPolarHBondContact CE1-CE2 3.45Å; H282-F284 AromaticContact CE1-CZ 3.98Å; H282-F284 AromaticContact ND1-CD2 3.61Å; H282-F284 AromaticContact ND1-CE2 3.84Å; H282-F284 PolarHBondContact O-N 3.33Å; F284-S286 PolarHBondContact O-N 2.74Å |
| 285 | D | 31.3 | Very low | 36.6 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | | | trans | -77 | 105.3 | -178.6 | -152.9 | -11.9 | 0 | 0 | 0 | 108.9 | A283 | A283-D285 HydrophobicContact CB-CB 4.28Å; A283-D285 PolarHBondContact O-N 2.97Å |
| 286 | S | 40.9 | Very low | 35.7 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | -150.2 | 39.7 | -171.1 | -150.1 | 0 | 0 | 0 | 0 | 112.1 | F284 | F284-S286 PolarHBondContact O-N 2.74Š|
| 287 | S | 32.9 | Very low | 35 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -170.6 | 118.5 | 157.1 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 288 | G | 27.1 | Very low | 34.5 | Very low | 83 Ų | 83 | 137.4 Ų | 137.4 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | | | trans | 129 | 69.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 289 | Q | 30.6 | Very low | 33.5 | Very low | 186 Ų | 186 | 137.7 Ų | 137.7 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | | | trans | -119.1 | 94.4 | 149.7 | -165.7 | 169.9 | 25.2 | 0 | 0 | 110.1 | | |
| 290 | I | 33.4 | Very low | 33.3 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | | | trans | 47.5 | 133.3 | 142 | -55.3 | 176.5 | 0 | 0 | 0 | 118.8 | | |
| 291 | E | 33.3 | Very low | 32.7 | Very low | 196 Ų | 196 | 136.7 Ų | 136.7 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | | | trans | -66.8 | 151.2 | 178.9 | -62.2 | 177.7 | 115.6 | 0 | 0 | 113.6 | | |
| 292 | G | 30.3 | Very low | 32.4 | Very low | 75 Ų | 75 | 139.7 Ų | 139.7 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -159.3 | 63 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 293 | E | 34 | Very low | 32.2 | Very low | 176 Ų | 176 | 137.2 Ų | 137.2 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | | | trans | 33.2 | 111.3 | 153.4 | -161.8 | -178.3 | 168.6 | 0 | 0 | 119.9 | | |
| 294 | T | 32.9 | Very low | 32.2 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | | | | 173.3 | 155.4 | 122.6 | 30.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 295 | D | 33.4 | Very low | 32.5 | Very low | 145 Ų | 145 | 138.2 Ų | 138.2 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | | | trans | -67.4 | 135 | 179.4 | -64.5 | -65.5 | 0 | 0 | 0 | 115.2 | | |
| 296 | K | 33.1 | Very low | 32.5 | Very low | 202 Ų | 202 | 134.5 Ų | 134.5 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | | | | -178.6 | 147.8 | 102.3 | -101.8 | 144.5 | -169.2 | 143.5 | 0 | 114.8 | | |
| 297 | A | 35.1 | Very low | 32.4 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | -78.4 | 135.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 298 | R | 30.3 | Very low | 32.3 | Very low | 234 Ų | 234 | 135.5 Ų | 135.5 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | | | trans | -149.8 | 98.4 | 154.2 | -178.2 | 156.6 | -89.4 | -159.5 | -5.7 | 113.9 | | |
| 299 | S | 30.7 | Very low | 32.9 | Very low | 98 Ų | 98 | 139.9 Ų | 139.9 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | | | trans | 49.3 | 142.4 | 140.4 | 71.7 | 0 | 0 | 0 | 0 | 122.8 | | |
| 300 | A | 29.6 | Very low | 33.2 | Very low | 106 Ų | 106 | 135 Ų | 135 | 88% | 0.876 | 79% | 0.789 | S | S | * | * | | | trans | 70 | 152.2 | 149.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 301 | G | 29 | Very low | 33.7 | Very low | 65 Ų | 65 | 135.1 Ų | 135.1 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | | | cis | 172.6 | 82.9 | -1.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | S303 | G301-S303 PolarHBondContact O-N 3.01Š|
| 302 | Y | 29.3 | Very low | 33.7 | Very low | 205 Ų | 205 | 134.9 Ų | 134.9 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -51.9 | 118.1 | -176.1 | 175.6 | -88.5 | 0 | 0 | 0 | 112.1 | F304 | Y302-F304 HydrophobicContact CE1-CD2 4.2Å; Y302-F304 AromaticContact CE2-CD2 3.76Å; Y302-F304 HydrophobicContact CE2-CD2 3.76Å; Y302-F304 AromaticContact CE2-CE2 3.7Å; Y302-F304 HydrophobicContact CE2-CE2 3.7Å; Y302-F304 AromaticContact CZ-CD2 3.51Å; Y302-F304 AromaticContact CZ-CE2 3.76Å; Y302-F304 WeakPolarHBondContact OH-CD2 3.49Å; Y302-F304 WeakPolarHBondContact OH-CE2 3.43Å |
| 303 | S | 31 | Very low | 34.3 | Very low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | -147 | 108.5 | 168.3 | -171.3 | 0 | 0 | 0 | 0 | 110.3 | G301 | G301-S303 PolarHBondContact O-N 3.01Š|
| 304 | F | 33.2 | Very low | 34.9 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | | | trans | -69.1 | 138.1 | 165 | -96.6 | -109.5 | 0 | 0 | 0 | 109.7 | Y302 | Y302-F304 HydrophobicContact CE1-CD2 4.2Å; Y302-F304 AromaticContact CE2-CD2 3.76Å; Y302-F304 HydrophobicContact CE2-CD2 3.76Å; Y302-F304 AromaticContact CE2-CE2 3.7Å; Y302-F304 HydrophobicContact CE2-CE2 3.7Å; Y302-F304 AromaticContact CZ-CD2 3.51Å; Y302-F304 AromaticContact CZ-CE2 3.76Å; Y302-F304 WeakPolarHBondContact OH-CD2 3.49Å; Y302-F304 WeakPolarHBondContact OH-CE2 3.43Å |
| 305 | P | 40.6 | Very low | 35.4 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | | -117.5 | 160.8 | 114.1 | 34.5 | -33.6 | 0 | 0 | 0 | 110.9 | | |
| 306 | G | 31.6 | Very low | 35.5 | Very low | 63 Ų | 63 | 143.9 Ų | 143.9 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | | | cis | 126.4 | 69.1 | 4.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 307 | S | 38.2 | Very low | 35.7 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | | | trans | 52.4 | 107.3 | 169.9 | -60.2 | 0 | 0 | 0 | 0 | 118.2 | | |
| 308 | S | 31.3 | Very low | 36 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -145.1 | 135.2 | 135.5 | -160.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 309 | D | 41.2 | Very low | 36.3 | Very low | 176 Ų | 176 | 143.7 Ų | 143.7 | 94% | 0.941 | 78% | 0.781 | S | S | * | * | | | trans | -98.9 | 109.6 | 168.8 | -170.4 | 13.3 | 0 | 0 | 0 | 105.5 | | |
| 310 | S | 35.8 | Very low | 36.7 | Very low | 83 Ų | 83 | 148.1 Ų | 148.1 | 58% | 0.58 | 79% | 0.791 | S | S | * | * | | | trans | -155 | 139.1 | -165.6 | -173 | 0 | 0 | 0 | 0 | 111.8 | F312 | S310-F312 PolarHBondContact O-N 3.47Š|
| 311 | D | 43.2 | Very low | 37.2 | Very low | 160 Ų | 160 | 149.7 Ų | 149.7 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | -64 | 110.6 | -178.7 | -64.3 | -73.8 | 0 | 0 | 0 | 112.9 | | |
| 312 | F | 33.6 | Very low | 37.7 | Very low | 191 Ų | 191 | 155.6 Ų | 155.6 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | trans | -151.3 | 83.2 | 164.8 | -90.4 | -74.3 | 0 | 0 | 0 | 111.3 | S310 | S310-F312 PolarHBondContact O-N 3.47Š|
| 313 | E | 44.3 | Very low | 37.7 | Very low | 163 Ų | 163 | 154.8 Ų | 154.8 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | trans | -139.5 | 42 | 164.9 | -171.6 | 112.3 | -123.4 | 0 | 0 | 110.3 | | |
| 314 | E | 46.4 | Very low | 38.1 | Very low | 184 Ų | 184 | 157.6 Ų | 157.6 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -121.3 | 35.1 | 178.6 | -156.4 | 154.3 | -115.2 | 0 | 0 | 112 | | |
| 315 | Q | 41.8 | Very low | 38.3 | Very low | 189 Ų | 189 | 155.2 Ų | 155.2 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -139 | 35 | 173.2 | -108.2 | -177.4 | 16.7 | 0 | 0 | 113.1 | | |
| 316 | Y | 35.8 | Very low | 37.9 | Very low | 187 Ų | 187 | 154.4 Ų | 154.4 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | | | trans | -127.3 | 26.7 | 177.9 | -128.6 | -80.2 | 0 | 0 | 0 | 114.5 | | |
| 317 | F | 38.7 | Very low | 38 | Very low | 179 Ų | 179 | 158.9 Ų | 158.9 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | trans | -126.9 | 66.3 | -177.3 | -71.8 | -72.2 | 0 | 0 | 0 | 113.1 | | |
| 318 | Q | 40 | Very low | 37.7 | Very low | 177 Ų | 177 | 159.2 Ų | 159.2 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -147.6 | -10.6 | 168.7 | -159.6 | 47.7 | 81.2 | 0 | 0 | 117.2 | | |
| 319 | H | 37.5 | Very low | 37.8 | Very low | 177 Ų | 177 | 166.2 Ų | 166.2 | 82% | 0.819 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -125.4 | 23.7 | -167.2 | -142.2 | -62.1 | 0 | 0 | 0 | 117.2 | | |
| 320 | H | 39 | Very low | 37.3 | Very low | 191 Ų | 191 | 161 Ų | 161 | 88% | 0.884 | 80% | 0.799 | S | S | * | * | | | trans | -131.8 | 55.1 | 172.1 | -69.1 | -44.2 | 0 | 0 | 0 | 112.7 | | |
| 321 | Q | 40.6 | Very low | 37.1 | Very low | 139 Ų | 139 | 162.3 Ų | 162.3 | 65% | 0.65 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -121.9 | 140.4 | 159.5 | -163 | 173.4 | -32.4 | 0 | 0 | 106.8 | | |
| 322 | Y | 38.5 | Very low | 37.1 | Very low | 189 Ų | 189 | 158.7 Ų | 158.7 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 63.3 | 93.8 | -172.8 | -44.8 | -76.6 | 0 | 0 | 0 | 115.2 | | |
| 323 | H | 29.8 | Very low | 37.6 | Very low | 188 Ų | 188 | 158.3 Ų | 158.3 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | | | | -177.5 | 141.3 | 111.9 | -97.3 | -74.9 | 0 | 0 | 0 | 109.2 | | |
| 324 | N | 38.3 | Very low | 37.5 | Very low | 161 Ų | 161 | 156.9 Ų | 156.9 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | | | trans | -146.2 | 78.3 | -178 | -172.1 | 47.6 | 0 | 0 | 0 | 109.1 | | |
| 325 | P | 38.5 | Very low | 37.3 | Very low | 105 Ų | 105 | 154.9 Ų | 154.9 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 129.6 | -179.3 | 30.3 | -32.7 | 0 | 0 | 0 | 110.4 | | |
| 326 | A | 32.4 | Very low | 37.6 | Very low | 99 Ų | 99 | 153.8 Ų | 153.8 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 136.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 327 | L | 33.6 | Very low | 38.2 | Very low | 158 Ų | 158 | 150.5 Ų | 150.5 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 121.6 | 173.3 | -79.5 | 167.6 | 0 | 0 | 0 | 109.5 | | |
| 328 | T | 30.4 | Very low | 38.3 | Very low | 135 Ų | 135 | 148.1 Ų | 148.1 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 126 | 174.8 | 47.2 | 0 | 0 | 0 | 0 | 110.1 | G330 | T328-G330 PolarHBondContact O-N 3.45Š|
| 329 | W | 35.1 | Very low | 38.7 | Very low | 259 Ų | 259 | 144.6 Ų | 144.6 | 98% | 0.981 | 79% | 0.786 | S | S | * | * | | | trans | -81.4 | 100 | 167 | -66 | 92 | 0 | 0 | 0 | 108.5 | | |
| 330 | G | 30 | Very low | 39.6 | Very low | 67 Ų | 67 | 143.4 Ų | 143.4 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | | | trans | -101.2 | 150.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | T328 | T328-G330 PolarHBondContact O-N 3.45Š|
| 331 | S | 31.4 | Very low | 40.4 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | trans | 29.2 | 109.1 | 175.7 | -70.3 | 0 | 0 | 0 | 0 | 118.6 | E333 | S331-E333 PolarHBondContact O-N 3.46Š|
| 332 | G | 43.9 | Very low | 41.6 | Very low | 85 Ų | 85 | 139.9 Ų | 139.9 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | | | trans | -84.3 | 101.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 333 | E | 44.3 | Very low | 43.4 | Very low | 182 Ų | 182 | 132.7 Ų | 132.7 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | | | trans | -149.8 | -4.7 | 173.9 | -133.1 | 159.7 | -149.7 | 0 | 0 | 113.6 | S331 | S331-E333 PolarHBondContact O-N 3.46Š|
| 334 | D | 41.4 | Very low | 45.7 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | | | trans | -129.5 | 75.1 | -177.6 | -171.1 | 18.3 | 0 | 0 | 0 | 110.8 | | |
| 335 | M | 42.3 | Very low | 47.8 | Very low | 142 Ų | 142 | 127.8 Ų | 127.8 | 70% | 0.7 | 74% | 0.737 | S | S | * | * | | | trans | -125.3 | -11.3 | 177.9 | -84 | -60.5 | -38.4 | 0 | 0 | 114.2 | | |
| 336 | D | 47.7 | Very low | 50 | Low | 166 Ų | 166 | 125.7 Ų | 125.7 | 89% | 0.888 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -95.3 | -6.1 | -175.3 | -70.4 | -59.3 | 0 | 0 | 0 | 114.1 | | |
| 337 | V | 48.8 | Very low | 52.3 | Low | 118 Ų | 118 | 125 Ų | 125 | 72% | 0.715 | 71% | 0.705 | S | S | * | * | | | trans | -108.8 | 65.1 | 175.4 | -166.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 338 | L | 40.2 | Very low | 54.8 | Low | 130 Ų | 130 | 123.3 Ų | 123.3 | 68% | 0.681 | 69% | 0.694 | S | S | * | * | | | trans | -66.6 | 128.5 | 164.9 | -77.5 | 171.5 | 0 | 0 | 0 | 109.7 | | |
| 339 | P | 48.7 | Very low | 57.7 | Low | 102 Ų | 102 | 122.9 Ų | 122.9 | 66% | 0.662 | 68% | 0.681 | S | S | * | * | | | trans | -61.6 | 141.7 | 175.8 | 26.2 | -34.2 | 0 | 0 | 0 | 110.3 | T341 | P339-T341 PolarHBondContact O-N 3.09Š|
| 340 | E | 56.6 | Low | 60.2 | Low | 153 Ų | 153 | 114.7 Ų | 114.7 | 72% | 0.715 | 65% | 0.654 | S | S | * | * | | | trans | -55.6 | 90.7 | -167.3 | -55.4 | 179.5 | 122.2 | 0 | 0 | 113.6 | K342 | E340-K342 VanDerWaalsContact C-N 3.26Å; E340-K342 HydrophobicContact CB-CG 4.3Å; E340-K342 VanDerWaalsContact CD-CE 3.45Å; E340-K342 PolarHBondContact O-N 3.04Å; E340-K342 IonicContact OE1-NZ 3.61Å; E340-K342 WeakPolarHBondContact OE2-CE 3.28Å; E340-K342 IonicContact OE2-NZ 2.63Å; E340-K342 PolarHBondContact OE2-NZ 3.35Å |
| 341 | T | 56.4 | Low | 63 | Low | 85 Ų | 85 | 116.6 Ų | 116.6 | 52% | 0.521 | 65% | 0.645 | S | S | . | * | | | trans | -82.1 | 70.7 | -176.8 | 39.6 | 0 | 0 | 0 | 0 | 111.3 | P339 G343 L346 | P339-T341 PolarHBondContact O-N 3.09Å; T341-G343 VanDerWaalsContact C-N 3.26Å; T341-G343 PolarHBondContact O-N 2.82Å; T341-L346 WeakPolarHBondContact O-CD2 3.4Å |
| 342 | K | 64.9 | Low | 65.9 | Low | 171 Ų | 171 | 118.2 Ų | 118.2 | 74% | 0.743 | 63% | 0.634 | S | S | * | * | | | trans | -62.6 | 75.8 | -177.2 | -64.4 | 175.2 | -167.7 | -179.1 | 0 | 112.4 | E340 | E340-K342 VanDerWaalsContact C-N 3.26Å; E340-K342 HydrophobicContact CB-CG 4.3Å; E340-K342 VanDerWaalsContact CD-CE 3.45Å; E340-K342 PolarHBondContact O-N 3.04Å; E340-K342 IonicContact OE1-NZ 3.61Å; E340-K342 WeakPolarHBondContact OE2-CE 3.28Å; E340-K342 IonicContact OE2-NZ 2.63Å; E340-K342 PolarHBondContact OE2-NZ 3.35Å |
| 343 | G | 76.6 | Confident | 68.1 | Low | 38 Ų | 38 | 121.5 Ų | 121.5 | 39% | 0.392 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -152.2 | 150.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | T341 G345 L346 | T341-G343 VanDerWaalsContact C-N 3.26Å; T341-G343 PolarHBondContact O-N 2.82Å; G343-G345 PolarHBondContact O-N 3.43Å; G343-L346 PolarHBondContact O-N 3.49Å |
| 344 | K | 78.9 | Confident | 70.3 | Confident | 186 Ų | 186 | 119.8 Ų | 119.8 | 81% | 0.809 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -57.5 | -21.9 | -175.2 | -66 | -170.6 | 175.2 | -170.2 | 0 | 114.4 | M348 | K344-M348 WeakPolarHBondContact O-CB 3.49Å; K344-M348 VanDerWaalsContact O-CG 3.25Å; K344-M348 WeakPolarHBondContact O-CG 3.4Å; K344-M348 PolarHBondContact O-N 2.75Å |
| 345 | G | 82.8 | Confident | 72.8 | Confident | 59 Ų | 59 | 119.4 Ų | 119.4 | 61% | 0.608 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.6 | -39.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G343 F349 | G343-G345 PolarHBondContact O-N 3.43Å; G345-F349 WeakPolarHBondContact O-CB 3.36Å; G345-F349 PolarHBondContact O-N 3.2Å; G345-F349 VanDerWaalsContact O-N 3.11Å |
| 346 | L | 83.1 | Confident | 75.2 | Confident | 61 Ų | 61 | 117 Ų | 117 | 32% | 0.319 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.8 | -46.3 | 176.2 | -175 | 67.9 | 0 | 0 | 0 | 110.5 | T341 G343 M348 F349 E350 | T341-L346 WeakPolarHBondContact O-CD2 3.4Å; G343-L346 PolarHBondContact O-N 3.49Å; L346-M348 VanDerWaalsContact C-N 3.3Å; L346-M348 PolarHBondContact O-N 3.17Å; L346-F349 CarbonylContact O-C 3.53Å; L346-F349 WeakPolarHBondContact O-CA 3.5Å; L346-F349 WeakPolarHBondContact O-CB 3.41Å; L346-F349 PolarHBondContact O-N 3.28Å; L346-E350 HydrophobicContact CG-CG 4.44Å; L346-E350 WeakPolarHBondContact CG-OE1 3.21Å; L346-E350 PolarHBondContact O-N 3.21Å |
| 347 | V | 81.8 | Confident | 77.3 | Confident | 84 Ų | 84 | 113 Ų | 113 | 51% | 0.509 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -57 | -42.1 | 175.9 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | F349 Q351 | V347-F349 VanDerWaalsContact C-N 3.27Å; V347-F349 PolarHBondContact O-N 3.39Å; V347-Q351 WeakPolarHBondContact O-CB 3.28Å; V347-Q351 PolarHBondContact O-N 3.3Å |
| 348 | M | 86.3 | Confident | 79.3 | Confident | 123 Ų | 123 | 112.4 Ų | 112.4 | 61% | 0.606 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.6 | -24.9 | 174.1 | -72.9 | -65.9 | -59 | 0 | 0 | 113.4 | K344 L346 R352 | K344-M348 WeakPolarHBondContact O-CB 3.49Å; K344-M348 VanDerWaalsContact O-CG 3.25Å; K344-M348 WeakPolarHBondContact O-CG 3.4Å; K344-M348 PolarHBondContact O-N 2.75Å; L346-M348 VanDerWaalsContact C-N 3.3Å; L346-M348 PolarHBondContact O-N 3.17Å; M348-R352 WeakPolarHBondContact O-CB 3.46Å; M348-R352 PolarHBondContact O-N 3.09Å; M348-R352 VanDerWaalsContact O-N 3.14Å |
| 349 | F | 90.1 | Very high | 81.6 | Confident | 126 Ų | 126 | 111.3 Ų | 111.3 | 55% | 0.553 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -81.9 | -43 | 177 | -159.1 | -89.4 | 0 | 0 | 0 | 111.3 | G345 L346 V347 R352 R353 | G345-F349 WeakPolarHBondContact O-CB 3.36Å; G345-F349 PolarHBondContact O-N 3.2Å; G345-F349 VanDerWaalsContact O-N 3.11Å; L346-F349 CarbonylContact O-C 3.53Å; L346-F349 WeakPolarHBondContact O-CA 3.5Å; L346-F349 WeakPolarHBondContact O-CB 3.41Å; L346-F349 PolarHBondContact O-N 3.28Å; V347-F349 VanDerWaalsContact C-N 3.27Å; V347-F349 PolarHBondContact O-N 3.39Å; F349-R352 CarbonylContact O-C 3.55Å; F349-R352 WeakPolarHBondContact O-CA 3.33Å; F349-R352 WeakPolarHBondContact O-CB 3.39Å; F349-R352 PolarHBondContact O-N 3.02Å; F349-R352 VanDerWaalsContact O-N 3.11Å; F349-R353 HydrophobicContact CD1-CG 4.34Å; F349-R353 HydrophobicContact CE1-CG 4.32Å; F349-R353 PolarHBondContact O-N 3.46Å |
| 350 | E | 87.2 | Confident | 83.5 | Confident | 87 Ų | 87 | 110.1 Ų | 110.1 | 41% | 0.407 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 169.5 | -69.8 | 169 | -173.9 | 0 | 0 | 111.4 | L346 R352 R353 K354 | L346-E350 HydrophobicContact CG-CG 4.44Å; L346-E350 WeakPolarHBondContact CG-OE1 3.21Å; L346-E350 PolarHBondContact O-N 3.21Å; E350-R352 PolarHBondContact O-N 3.47Å; E350-R353 PolarHBondContact O-N 2.8Å; E350-K354 WeakPolarHBondContact O-CB 3.41Å; E350-K354 WeakPolarHBondContact O-CG 3.04Å; E350-K354 PolarHBondContact O-N 2.82Å |
| 351 | Q | 90.6 | Very high | 84.7 | Confident | 107 Ų | 107 | 105.7 Ų | 105.7 | 50% | 0.5 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.3 | -15.1 | 174.7 | -163.6 | -178.4 | 23.8 | 0 | 0 | 112.9 | V347 R355 | V347-Q351 WeakPolarHBondContact O-CB 3.28Å; V347-Q351 PolarHBondContact O-N 3.3Å; Q351-R355 WeakPolarHBondContact O-CG 3.31Å; Q351-R355 PolarHBondContact O-NE 2.95Å |
| 352 | R | 91.3 | Very high | 85.8 | Confident | 145 Ų | 145 | 106.8 Ų | 106.8 | 55% | 0.547 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -82.1 | -43.2 | 165.9 | 169.5 | 174.1 | -94.1 | 174.8 | -7.6 | 111.1 | M348 F349 E350 I356 | M348-R352 WeakPolarHBondContact O-CB 3.46Å; M348-R352 PolarHBondContact O-N 3.09Å; M348-R352 VanDerWaalsContact O-N 3.14Å; F349-R352 CarbonylContact O-C 3.55Å; F349-R352 WeakPolarHBondContact O-CA 3.33Å; F349-R352 WeakPolarHBondContact O-CB 3.39Å; F349-R352 PolarHBondContact O-N 3.02Å; F349-R352 VanDerWaalsContact O-N 3.11Å; E350-R352 PolarHBondContact O-N 3.47Å; R352-I356 HydrophobicContact CG-CD1 3.96Å; R352-I356 WeakPolarHBondContact O-CG1 3.38Å; R352-I356 PolarHBondContact O-N 3.3Å |
| 353 | R | 90.9 | Very high | 86.2 | Confident | 153 Ų | 153 | 105.4 Ų | 105.4 | 58% | 0.577 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.3 | -57.6 | 174.1 | -76.3 | -173.2 | 63.1 | 172.9 | 0.4 | 110.4 | F349 E350 R355 I356 D357 | F349-R353 HydrophobicContact CD1-CG 4.34Å; F349-R353 HydrophobicContact CE1-CG 4.32Å; F349-R353 PolarHBondContact O-N 3.46Å; E350-R353 PolarHBondContact O-N 2.8Å; R353-R355 PolarHBondContact O-N 3.11Å; R353-R355 VanDerWaalsContact O-N 3.08Å; R353-I356 CarbonylContact O-C 3.6Å; R353-I356 WeakPolarHBondContact O-CA 3.28Å; R353-I356 WeakPolarHBondContact O-CB 3.16Å; R353-I356 PolarHBondContact O-N 3.19Å; R353-D357 PolarHBondContact O-N 3.34Å; R353-D357 VanDerWaalsContact O-OD2 3.05Å |
| 354 | K | 90.6 | Very high | 86.3 | Confident | 146 Ų | 146 | 110 Ų | 110 | 64% | 0.635 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -51.6 | -39.2 | -179.6 | -72.9 | -177.5 | 176.6 | -175.2 | 0 | 113.6 | E350 D357 E358 | E350-K354 WeakPolarHBondContact O-CB 3.41Å; E350-K354 WeakPolarHBondContact O-CG 3.04Å; E350-K354 PolarHBondContact O-N 2.82Å; K354-D357 PolarHBondContact N-OD2 3.33Å; K354-D357 PolarHBondContact O-N 3.18Å; K354-E358 WeakPolarHBondContact O-CB 3.39Å; K354-E358 PolarHBondContact O-N 2.93Å |
| 355 | R | 92.4 | Very high | 86 | Confident | 125 Ų | 125 | 107.3 Ų | 107.3 | 47% | 0.472 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -76.8 | -17.6 | 176.2 | -71.6 | -175.8 | -58 | 107.7 | -0.2 | 115.1 | Q351 R353 L359 | Q351-R355 WeakPolarHBondContact O-CG 3.31Å; Q351-R355 PolarHBondContact O-NE 2.95Å; R353-R355 PolarHBondContact O-N 3.11Å; R353-R355 VanDerWaalsContact O-N 3.08Å; R355-L359 VanDerWaalsContact O-CD1 3.31Å; R355-L359 WeakPolarHBondContact O-CD1 3.37Å; R355-L359 VanDerWaalsContact O-CG 3.26Å; R355-L359 WeakPolarHBondContact O-CG 3.38Å; R355-L359 PolarHBondContact O-N 3.3Å |
| 356 | I | 92.6 | Very high | 84.9 | Confident | 93 Ų | 93 | 112.5 Ų | 112.5 | 48% | 0.477 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -82.1 | -46.1 | 168.6 | -68 | 164.5 | 0 | 0 | 0 | 108.5 | R352 R353 E358 L359 V360 | R352-I356 HydrophobicContact CG-CD1 3.96Å; R352-I356 WeakPolarHBondContact O-CG1 3.38Å; R352-I356 PolarHBondContact O-N 3.3Å; R353-I356 CarbonylContact O-C 3.6Å; R353-I356 WeakPolarHBondContact O-CA 3.28Å; R353-I356 WeakPolarHBondContact O-CB 3.16Å; R353-I356 PolarHBondContact O-N 3.19Å; I356-E358 VanDerWaalsContact C-N 3.3Å; I356-E358 PolarHBondContact O-N 3.41Å; I356-L359 PolarHBondContact O-N 3.35Å; I356-V360 HydrophobicContact CG2-CG2 4.47Å; I356-V360 WeakPolarHBondContact O-CB 3.26Å; I356-V360 VanDerWaalsContact O-CG2 3.3Å; I356-V360 WeakPolarHBondContact O-CG2 3.36Å; I356-V360 PolarHBondContact O-N 2.72Å |
| 357 | D | 92.4 | Very high | 83.5 | Confident | 81 Ų | 81 | 119.6 Ų | 119.6 | 43% | 0.433 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.8 | -41.3 | 177.4 | -50.6 | -34.3 | 0 | 0 | 0 | 110.6 | R353 K354 V360 S361 | R353-D357 PolarHBondContact O-N 3.34Å; R353-D357 VanDerWaalsContact O-OD2 3.05Å; K354-D357 PolarHBondContact N-OD2 3.33Å; K354-D357 PolarHBondContact O-N 3.18Å; D357-V360 PolarHBondContact O-N 3Å; D357-S361 PolarHBondContact O-N 2.71Å; D357-S361 PolarHBondContact O-OG 2.89Å; D357-S361 VanDerWaalsContact O-OG 3.14Å |
| 358 | E | 89.9 | Confident | 82.3 | Confident | 106 Ų | 106 | 119.1 Ų | 119.1 | 50% | 0.495 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.6 | -49.9 | 173.2 | -179.8 | 176 | -147.5 | 0 | 0 | 112.4 | K354 I356 V360 S361 E362 | K354-E358 WeakPolarHBondContact O-CB 3.39Å; K354-E358 PolarHBondContact O-N 2.93Å; I356-E358 VanDerWaalsContact C-N 3.3Å; I356-E358 PolarHBondContact O-N 3.41Å; E358-V360 VanDerWaalsContact C-N 3.31Å; E358-V360 PolarHBondContact O-N 2.89Å; E358-S361 WeakPolarHBondContact CA-OG 3.33Å; E358-S361 PolarHBondContact O-N 3.05Å; E358-S361 PolarHBondContact O-OG 3.31Å; E358-E362 WeakPolarHBondContact O-CG 3.46Å; E358-E362 PolarHBondContact O-N 2.94Å |
| 359 | L | 88.6 | Confident | 80.7 | Confident | 107 Ų | 107 | 121.6 Ų | 121.6 | 56% | 0.56 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.1 | -32.6 | 175.9 | -75.5 | 169.5 | 0 | 0 | 0 | 112.9 | R355 I356 Q363 | R355-L359 VanDerWaalsContact O-CD1 3.31Å; R355-L359 WeakPolarHBondContact O-CD1 3.37Å; R355-L359 VanDerWaalsContact O-CG 3.26Å; R355-L359 WeakPolarHBondContact O-CG 3.38Å; R355-L359 PolarHBondContact O-N 3.3Å; I356-L359 PolarHBondContact O-N 3.35Å; L359-Q363 VanDerWaalsContact O-CB 3.27Å; L359-Q363 WeakPolarHBondContact O-CB 3.2Å; L359-Q363 PolarHBondContact O-N 2.94Å |
| 360 | V | 89.3 | Confident | 78.4 | Confident | 76 Ų | 76 | 118.6 Ų | 118.6 | 46% | 0.461 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -71.3 | -41.2 | 174.3 | 169.8 | 0 | 0 | 0 | 0 | 110.3 | I356 D357 E358 Q363 E364 | I356-V360 HydrophobicContact CG2-CG2 4.47Å; I356-V360 WeakPolarHBondContact O-CB 3.26Å; I356-V360 VanDerWaalsContact O-CG2 3.3Å; I356-V360 WeakPolarHBondContact O-CG2 3.36Å; I356-V360 PolarHBondContact O-N 2.72Å; D357-V360 PolarHBondContact O-N 3Å; E358-V360 VanDerWaalsContact C-N 3.31Å; E358-V360 PolarHBondContact O-N 2.89Å; V360-Q363 PolarHBondContact O-N 2.83Å; V360-E364 WeakPolarHBondContact O-CB 3.47Å; V360-E364 PolarHBondContact O-N 2.84Å |
| 361 | S | 81.6 | Confident | 75.8 | Confident | 61 Ų | 61 | 123.6 Ų | 123.6 | 43% | 0.427 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.6 | -41.4 | 173.9 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | D357 E358 Q363 E364 E365 | D357-S361 PolarHBondContact O-N 2.71Å; D357-S361 PolarHBondContact O-OG 2.89Å; D357-S361 VanDerWaalsContact O-OG 3.14Å; E358-S361 WeakPolarHBondContact CA-OG 3.33Å; E358-S361 PolarHBondContact O-N 3.05Å; E358-S361 PolarHBondContact O-OG 3.31Å; S361-Q363 VanDerWaalsContact C-N 3.3Å; S361-Q363 PolarHBondContact O-N 3.12Å; S361-E364 PolarHBondContact O-N 2.87Å; S361-E365 WeakPolarHBondContact O-CB 3.31Å; S361-E365 PolarHBondContact O-N 2.86Å |
| 362 | E | 79.6 | Confident | 73.5 | Confident | 107 Ų | 107 | 124 Ų | 124 | 50% | 0.5 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -59.2 | -42.2 | 172.9 | -74.6 | -177 | 155.5 | 0 | 0 | 110.8 | E358 E365 E366 | E358-E362 WeakPolarHBondContact O-CG 3.46Å; E358-E362 PolarHBondContact O-N 2.94Å; E362-E365 PolarHBondContact O-N 3.47Å; E362-E366 WeakPolarHBondContact O-CB 3.27Å; E362-E366 PolarHBondContact O-N 2.92Å |
| 363 | Q | 73.1 | Confident | 71.5 | Confident | 143 Ų | 143 | 125.1 Ų | 125.1 | 67% | 0.668 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.4 | -26.8 | 178.2 | -178.7 | 166.7 | 58.1 | 0 | 0 | 113.7 | L359 V360 S361 R367 | L359-Q363 VanDerWaalsContact O-CB 3.27Å; L359-Q363 WeakPolarHBondContact O-CB 3.2Å; L359-Q363 PolarHBondContact O-N 2.94Å; V360-Q363 PolarHBondContact O-N 2.83Å; S361-Q363 VanDerWaalsContact C-N 3.3Å; S361-Q363 PolarHBondContact O-N 3.12Å; Q363-R367 WeakPolarHBondContact O-CB 3.3Å; Q363-R367 PolarHBondContact O-N 2.9Å |
| 364 | E | 78.3 | Confident | 69.4 | Low | 135 Ų | 135 | 123.1 Ų | 123.1 | 63% | 0.631 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -82.6 | -34.2 | 173.6 | -170.4 | 158.6 | -153.8 | 0 | 0 | 111.4 | V360 S361 R367 S368 | V360-E364 WeakPolarHBondContact O-CB 3.47Å; V360-E364 PolarHBondContact O-N 2.84Å; S361-E364 PolarHBondContact O-N 2.87Å; E364-R367 CarbonylContact O-C 3.57Å; E364-R367 WeakPolarHBondContact O-CB 3.18Å; E364-R367 PolarHBondContact O-N 3.21Å; E364-S368 WeakPolarHBondContact O-CB 3.36Å; E364-S368 PolarHBondContact O-N 3.26Å |
| 365 | E | 73 | Confident | 67.1 | Low | 128 Ų | 128 | 122.2 Ų | 122.2 | 60% | 0.598 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.2 | -50.6 | 174.8 | -169.7 | 167.4 | -166.5 | 0 | 0 | 111 | S361 E362 R367 S368 E369 | S361-E365 WeakPolarHBondContact O-CB 3.31Å; S361-E365 PolarHBondContact O-N 2.86Å; E362-E365 PolarHBondContact O-N 3.47Å; E365-R367 PolarHBondContact O-N 3.28Å; E365-R367 VanDerWaalsContact O-N 3.09Å; E365-S368 WeakPolarHBondContact CA-OG 3.21Å; E365-S368 PolarHBondContact O-N 3.04Å; E365-S368 PolarHBondContact O-OG 3.14Å; E365-E369 PolarHBondContact O-N 3.47Å |
| 366 | E | 60.3 | Low | 65 | Low | 168 Ų | 168 | 122.9 Ų | 122.9 | 79% | 0.785 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -58 | -22.4 | 170.7 | -78.6 | -163.3 | 159.6 | 0 | 0 | 112.9 | E362 | E362-E366 WeakPolarHBondContact O-CB 3.27Å; E362-E366 PolarHBondContact O-N 2.92Å |
| 367 | R | 53.9 | Low | 62.7 | Low | 210 Ų | 210 | 123.7 Ų | 123.7 | 79% | 0.792 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -85.5 | -26.1 | 174.1 | -165.6 | -174.5 | -164.1 | 85.6 | 6.8 | 112.7 | Q363 E364 E365 | Q363-R367 WeakPolarHBondContact O-CB 3.3Å; Q363-R367 PolarHBondContact O-N 2.9Å; E364-R367 CarbonylContact O-C 3.57Å; E364-R367 WeakPolarHBondContact O-CB 3.18Å; E364-R367 PolarHBondContact O-N 3.21Å; E365-R367 PolarHBondContact O-N 3.28Å; E365-R367 VanDerWaalsContact O-N 3.09Å |
| 368 | S | 56.6 | Low | 60.6 | Low | 74 Ų | 74 | 126.3 Ų | 126.3 | 52% | 0.517 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -89.6 | -29.9 | -176.3 | 74.8 | 0 | 0 | 0 | 0 | 113.7 | E364 E365 G370 | E364-S368 WeakPolarHBondContact O-CB 3.36Å; E364-S368 PolarHBondContact O-N 3.26Å; E365-S368 WeakPolarHBondContact CA-OG 3.21Å; E365-S368 PolarHBondContact O-N 3.04Å; E365-S368 PolarHBondContact O-OG 3.14Å; S368-G370 PolarHBondContact O-N 3.37Å; S368-G370 VanDerWaalsContact O-N 3.11Å |
| 369 | E | 52.9 | Low | 58.5 | Low | 176 Ų | 176 | 125.3 Ų | 125.3 | 82% | 0.822 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -79.3 | 14.7 | -179.5 | -143.9 | -175.3 | -154.7 | 0 | 0 | 113.7 | E365 | E365-E369 PolarHBondContact O-N 3.47Š|
| 370 | G | 41.2 | Very low | 56.5 | Low | 63 Ų | 63 | 126.6 Ų | 126.6 | 65% | 0.649 | 65% | 0.647 | S | S | * | * | | | trans | -103.9 | 73.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S368 | S368-G370 PolarHBondContact O-N 3.37Å; S368-G370 VanDerWaalsContact O-N 3.11Å |
| 371 | F | 33.1 | Very low | 54.6 | Low | 191 Ų | 191 | 131.2 Ų | 131.2 | 84% | 0.838 | 66% | 0.656 | S | S | * | * | | | trans | -101.5 | 157 | 169.9 | -82.7 | -95.3 | 0 | 0 | 0 | 112.3 | | |
| 372 | P | 42.8 | Very low | 53.2 | Low | 115 Ų | 115 | 131.3 Ų | 131.3 | 75% | 0.747 | 66% | 0.66 | S | S | * | * | | | cis | -114.2 | 162.2 | -3.3 | 39.7 | -29.6 | 0 | 0 | 0 | 114.3 | D374 | P372-D374 PolarHBondContact O-N 2.98Š|
| 373 | E | 48.5 | Very low | 51.9 | Low | 169 Ų | 169 | 134.9 Ų | 134.9 | 79% | 0.79 | 67% | 0.669 | S | S | * | * | | | trans | -85.8 | 92.3 | -176.3 | -171.9 | -174.2 | 158.7 | 0 | 0 | 113.5 | | |
| 374 | D | 45.8 | Very low | 51.3 | Low | 111 Ų | 111 | 133.3 Ų | 133.3 | 59% | 0.594 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -156.8 | -27.5 | 155.3 | -118.2 | -19.5 | 0 | 0 | 0 | 116.7 | P372 L376 K377 | P372-D374 PolarHBondContact O-N 2.98Å; D374-L376 VanDerWaalsContact C-N 3.3Å; D374-L376 PolarHBondContact O-N 3.03Å; D374-K377 IonicContact OD1-NZ 2.72Å; D374-K377 PolarHBondContact OD1-NZ 3.03Å |
| 375 | V | 44.1 | Very low | 50.2 | Low | 127 Ų | 127 | 134.9 Ų | 134.9 | 77% | 0.77 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -21.9 | -170.5 | -177.2 | 0 | 0 | 0 | 0 | 114.3 | K377 | V375-K377 VanDerWaalsContact C-N 3.35Å; V375-K377 PolarHBondContact O-N 3.12Å |
| 376 | L | 47.1 | Very low | 49.2 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 73% | 0.728 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -74.5 | -16.9 | -174.6 | -76.6 | 171 | 0 | 0 | 0 | 115.2 | D374 E378 Q380 | D374-L376 VanDerWaalsContact C-N 3.3Å; D374-L376 PolarHBondContact O-N 3.03Å; L376-E378 VanDerWaalsContact C-N 3.3Å; L376-E378 PolarHBondContact O-N 2.8Å; L376-Q380 WeakPolarHBondContact O-CB 3.48Å; L376-Q380 PolarHBondContact O-N 3.48Å |
| 377 | K | 45.4 | Very low | 49.3 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 48% | 0.483 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -68.1 | -28.7 | -176.3 | -67.5 | 164 | -171 | 158.7 | 0 | 112.6 | D374 V375 | D374-K377 IonicContact OD1-NZ 2.72Å; D374-K377 PolarHBondContact OD1-NZ 3.03Å; V375-K377 VanDerWaalsContact C-N 3.35Å; V375-K377 PolarHBondContact O-N 3.12Å |
| 378 | E | 47.3 | Very low | 49.6 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 63% | 0.631 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -78.7 | -52.1 | -178.4 | -153.9 | 59.8 | -141.4 | 0 | 0 | 111.9 | L376 Q380 R381 A382 | L376-E378 VanDerWaalsContact C-N 3.3Å; L376-E378 PolarHBondContact O-N 2.8Å; E378-Q380 PolarHBondContact O-N 2.81Å; E378-R381 PolarHBondContact O-N 3.08Å; E378-R381 VanDerWaalsContact O-N 3.1Å; E378-A382 PolarHBondContact O-N 3.42Å |
| 379 | T | 45 | Very low | 49.6 | Very low | 86 Ų | 86 | 129.4 Ų | 129.4 | 53% | 0.528 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -61 | -33.1 | 179.9 | -48.4 | 0 | 0 | 0 | 0 | 112.4 | R383 | T379-R383 WeakPolarHBondContact O-CG 3.39Å; T379-R383 PolarHBondContact O-N 3.39Å |
| 380 | Q | 48.2 | Very low | 49.6 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -72.4 | -28.8 | 178.9 | -162.5 | 165.7 | 6.3 | 0 | 0 | 112.7 | L376 E378 I384 | L376-Q380 WeakPolarHBondContact O-CB 3.48Å; L376-Q380 PolarHBondContact O-N 3.48Å; E378-Q380 PolarHBondContact O-N 2.81Å; Q380-I384 WeakPolarHBondContact O-CD1 3.46Å; Q380-I384 VanDerWaalsContact O-CG1 3.3Å; Q380-I384 WeakPolarHBondContact O-CG1 3.23Å; Q380-I384 PolarHBondContact O-N 3.49Å |
| 381 | R | 49.1 | Very low | 50.2 | Low | 173 Ų | 173 | 131.6 Ų | 131.6 | 65% | 0.653 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69.4 | -45.7 | 172.9 | -77.7 | 175.7 | 167.7 | 176.3 | -3.7 | 112.3 | E378 R383 I384 Y385 | E378-R381 PolarHBondContact O-N 3.08Å; E378-R381 VanDerWaalsContact O-N 3.1Å; R381-R383 VanDerWaalsContact C-N 3.3Å; R381-R383 PolarHBondContact O-N 2.88Å; R381-I384 PolarHBondContact O-N 3.36Å; R381-I384 VanDerWaalsContact O-N 3.11Å; R381-Y385 PolarHBondContact O-N 2.88Å |
| 382 | A | 51.6 | Low | 51.1 | Low | 63 Ų | 63 | 127.9 Ų | 127.9 | 52% | 0.521 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -55.8 | -45 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E378 I384 Y385 E386 | E378-A382 PolarHBondContact O-N 3.42Å; A382-I384 VanDerWaalsContact C-N 3.28Å; A382-I384 PolarHBondContact O-N 3.38Å; A382-Y385 PolarHBondContact O-N 2.79Å; A382-E386 PolarHBondContact O-N 3.23Å |
| 383 | R | 53.4 | Low | 51.6 | Low | 181 Ų | 181 | 127.7 Ų | 127.7 | 68% | 0.683 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.1 | -20.5 | -179.6 | -65.7 | -115.4 | -79.7 | -170.8 | -7.1 | 114.2 | T379 R381 S387 | T379-R383 WeakPolarHBondContact O-CG 3.39Å; T379-R383 PolarHBondContact O-N 3.39Å; R381-R383 VanDerWaalsContact C-N 3.3Å; R381-R383 PolarHBondContact O-N 2.88Å; R383-S387 WeakPolarHBondContact O-CB 3.48Å; R383-S387 PolarHBondContact O-N 2.88Å |
| 384 | I | 60.4 | Low | 51.9 | Low | 111 Ų | 111 | 122.4 Ų | 122.4 | 57% | 0.569 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -78.4 | -36.1 | 172.4 | -70.1 | 165.9 | 0 | 0 | 0 | 110.7 | Q380 R381 A382 K388 | Q380-I384 WeakPolarHBondContact O-CD1 3.46Å; Q380-I384 VanDerWaalsContact O-CG1 3.3Å; Q380-I384 WeakPolarHBondContact O-CG1 3.23Å; Q380-I384 PolarHBondContact O-N 3.49Å; R381-I384 PolarHBondContact O-N 3.36Å; R381-I384 VanDerWaalsContact O-N 3.11Å; A382-I384 VanDerWaalsContact C-N 3.28Å; A382-I384 PolarHBondContact O-N 3.38Å; I384-K388 PolarHBondContact O-N 3.48Å |
| 385 | Y | 53.4 | Low | 52.1 | Low | 167 Ų | 167 | 121.8 Ų | 121.8 | 66% | 0.655 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.5 | -49.5 | 175.1 | -109.5 | -96.2 | 0 | 0 | 0 | 112.2 | R381 A382 S387 K388 E389 | R381-Y385 PolarHBondContact O-N 2.88Å; A382-Y385 PolarHBondContact O-N 2.79Å; Y385-S387 VanDerWaalsContact C-N 3.26Å; Y385-S387 PolarHBondContact O-N 3.16Å; Y385-K388 WeakPolarHBondContact O-CA 3.33Å; Y385-K388 WeakPolarHBondContact O-CB 3.3Å; Y385-K388 PolarHBondContact O-N 3.39Å; Y385-E389 PolarHBondContact O-N 3.43Å; Y385-E389 VanDerWaalsContact O-N 3.08Å |
| 386 | E | 53.2 | Low | 52.6 | Low | 121 Ų | 121 | 121.6 Ų | 121.6 | 57% | 0.565 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -56.5 | -39.8 | 176.9 | -174.8 | 179.9 | -147 | 0 | 0 | 111.9 | A382 K388 M390 | A382-E386 PolarHBondContact O-N 3.23Å; E386-K388 VanDerWaalsContact C-N 3.26Å; E386-K388 PolarHBondContact O-N 2.85Å; E386-M390 PolarHBondContact O-N 3.42Å |
| 387 | S | 61.2 | Low | 52.9 | Low | 82 Ų | 82 | 119.2 Ų | 119.2 | 57% | 0.573 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.7 | -15.4 | 174.9 | -172.8 | 0 | 0 | 0 | 0 | 114.3 | R383 Y385 | R383-S387 WeakPolarHBondContact O-CB 3.48Å; R383-S387 PolarHBondContact O-N 2.88Å; Y385-S387 VanDerWaalsContact C-N 3.26Å; Y385-S387 PolarHBondContact O-N 3.16Å |
| 388 | K | 61.5 | Low | 53.1 | Low | 144 Ų | 144 | 119.3 Ų | 119.3 | 63% | 0.626 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -92.4 | -40.7 | 178.6 | -166.2 | 178.5 | -179.2 | -174.4 | 0 | 111.6 | I384 Y385 E386 Y391 M392 | I384-K388 PolarHBondContact O-N 3.48Å; Y385-K388 WeakPolarHBondContact O-CA 3.33Å; Y385-K388 WeakPolarHBondContact O-CB 3.3Å; Y385-K388 PolarHBondContact O-N 3.39Å; E386-K388 VanDerWaalsContact C-N 3.26Å; E386-K388 PolarHBondContact O-N 2.85Å; K388-Y391 WeakPolarHBondContact O-CB 3.27Å; K388-Y391 PolarHBondContact O-N 2.85Å; K388-Y391 VanDerWaalsContact O-N 3.13Å; K388-M392 PolarHBondContact O-N 2.89Å; K388-M392 VanDerWaalsContact O-N 3.15Å |
| 389 | E | 56.3 | Low | 53.3 | Low | 118 Ų | 118 | 118 Ų | 118 | 55% | 0.551 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.6 | -42.6 | 175.1 | -66.4 | -175.7 | 166.6 | 0 | 0 | 111.6 | Y385 Y391 M392 H393 | Y385-E389 PolarHBondContact O-N 3.43Å; Y385-E389 VanDerWaalsContact O-N 3.08Å; E389-Y391 PolarHBondContact O-N 2.93Å; E389-M392 PolarHBondContact O-N 3.09Å; E389-H393 PolarHBondContact O-CD2 3.33Å; E389-H393 PolarHBondContact O-N 3.23Å |
| 390 | M | 53.9 | Low | 53.6 | Low | 143 Ų | 143 | 119 Ų | 119 | 70% | 0.704 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.3 | -12 | 175.5 | -173.1 | 152.8 | 44.7 | 0 | 0 | 113.8 | E386 | E386-M390 PolarHBondContact O-N 3.42Å |
| 391 | Y | 53.1 | Low | 53.6 | Low | 143 Ų | 143 | 119.8 Ų | 119.8 | 56% | 0.561 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -82.8 | -46.2 | 168.4 | -172.3 | -85.1 | 0 | 0 | 0 | 111.3 | K388 E389 H393 A394 E395 | K388-Y391 WeakPolarHBondContact O-CB 3.27Å; K388-Y391 PolarHBondContact O-N 2.85Å; K388-Y391 VanDerWaalsContact O-N 3.13Å; E389-Y391 PolarHBondContact O-N 2.93Å; Y391-H393 PolarHBondContact O-N 3.11Å; Y391-A394 WeakPolarHBondContact O-CB 3.15Å; Y391-A394 PolarHBondContact O-N 2.69Å; Y391-A394 VanDerWaalsContact O-N 3.15Å; Y391-E395 HydrophobicContact CE1-CG 4.36Å; Y391-E395 WeakPolarHBondContact CE1-OE1 3.32Å; Y391-E395 PolarHBondContact OH-OE1 3.31Å |
| 392 | M | 52 | Low | 53.5 | Low | 113 Ų | 113 | 116.1 Ų | 116.1 | 56% | 0.557 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -57.5 | -46.7 | -179.1 | -66.2 | -61.2 | -59.2 | 0 | 0 | 112.9 | K388 E389 A394 E395 E396 | K388-M392 PolarHBondContact O-N 2.89Å; K388-M392 VanDerWaalsContact O-N 3.15Å; E389-M392 PolarHBondContact O-N 3.09Å; M392-A394 PolarHBondContact O-N 3.34Å; M392-E395 PolarHBondContact O-N 3.49Å; M392-E396 PolarHBondContact O-N 3.27Å |
| 393 | H | 52.8 | Low | 53.2 | Low | 111 Ų | 111 | 119.5 Ų | 119.5 | 51% | 0.514 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.8 | -16.2 | -179 | -65.4 | -53.4 | 0 | 0 | 0 | 114.2 | E389 Y391 E396 T397 | E389-H393 PolarHBondContact O-CD2 3.33Å; E389-H393 PolarHBondContact O-N 3.23Å; Y391-H393 PolarHBondContact O-N 3.11Å; H393-E396 IonicContact CE1-OE2 3.29Å; H393-E396 IonicContact CG-OE2 2.67Å; H393-E396 IonicContact ND1-OE2 3.64Å; H393-E396 PolarHBondContact ND1-OE2 3.04Å; H393-T397 WeakPolarHBondContact O-CG2 3.47Å; H393-T397 PolarHBondContact O-N 3.21Å; H393-T397 PolarHBondContact O-OG1 2.9Å |
| 394 | A | 54.3 | Low | 52.9 | Low | 58 Ų | 58 | 115.8 Ų | 115.8 | 48% | 0.479 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -75.3 | -29.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y391 M392 | Y391-A394 WeakPolarHBondContact O-CB 3.15Å; Y391-A394 PolarHBondContact O-N 2.69Å; Y391-A394 VanDerWaalsContact O-N 3.15Å; M392-A394 PolarHBondContact O-N 3.34Å |
| 395 | E | 51.1 | Low | 52 | Low | 98 Ų | 98 | 120.2 Ų | 120.2 | 46% | 0.458 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -84.3 | -40.7 | 176.7 | -63.2 | -174.8 | 169.4 | 0 | 0 | 110.8 | Y391 M392 T397 N398 V399 | Y391-E395 HydrophobicContact CE1-CG 4.36Å; Y391-E395 WeakPolarHBondContact CE1-OE1 3.32Å; Y391-E395 PolarHBondContact OH-OE1 3.31Å; M392-E395 PolarHBondContact O-N 3.49Å; E395-T397 VanDerWaalsContact C-N 3.32Å; E395-T397 PolarHBondContact O-N 3.19Å; E395-N398 WeakPolarHBondContact O-CA 3.44Å; E395-N398 WeakPolarHBondContact O-CB 3.47Å; E395-N398 PolarHBondContact O-N 3.49Å; E395-V399 PolarHBondContact O-N 3.26Å; E395-V399 VanDerWaalsContact O-N 3.08Å |
| 396 | E | 53.9 | Low | 51.8 | Low | 122 Ų | 122 | 118.9 Ų | 118.9 | 57% | 0.57 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -55.8 | -41.4 | 176.1 | -170.4 | 174.6 | -139.3 | 0 | 0 | 113.1 | M392 H393 N398 | M392-E396 PolarHBondContact O-N 3.27Å; H393-E396 IonicContact CE1-OE2 3.29Å; H393-E396 IonicContact CG-OE2 2.67Å; H393-E396 IonicContact ND1-OE2 3.64Å; H393-E396 PolarHBondContact ND1-OE2 3.04Å; E396-N398 VanDerWaalsContact C-N 3.28Å; E396-N398 PolarHBondContact O-N 2.86Å |
| 397 | T | 53.5 | Low | 51.5 | Low | 89 Ų | 89 | 117.4 Ų | 117.4 | 55% | 0.546 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -78.5 | -6.8 | 177 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | H393 E395 | H393-T397 WeakPolarHBondContact O-CG2 3.47Å; H393-T397 PolarHBondContact O-N 3.21Å; H393-T397 PolarHBondContact O-OG1 2.9Å; E395-T397 VanDerWaalsContact C-N 3.32Å; E395-T397 PolarHBondContact O-N 3.19Å |
| 398 | N | 49.7 | Very low | 50.6 | Low | 113 Ų | 113 | 120.9 Ų | 120.9 | 60% | 0.604 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -93.3 | -48.5 | 176.2 | -155.1 | -6.7 | 0 | 0 | 0 | 110.6 | E395 E396 K400 K401 | E395-N398 WeakPolarHBondContact O-CA 3.44Å; E395-N398 WeakPolarHBondContact O-CB 3.47Å; E395-N398 PolarHBondContact O-N 3.49Å; E396-N398 VanDerWaalsContact C-N 3.28Å; E396-N398 PolarHBondContact O-N 2.86Å; N398-K400 VanDerWaalsContact C-N 3.25Å; N398-K400 PolarHBondContact O-N 3.25Å; N398-K401 PolarHBondContact O-N 2.79Å |
| 399 | V | 51.8 | Low | 49.9 | Very low | 107 Ų | 107 | 118.8 Ų | 118.8 | 65% | 0.648 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -52.1 | -44 | 175.1 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | E395 K401 H402 | E395-V399 PolarHBondContact O-N 3.26Å; E395-V399 VanDerWaalsContact O-N 3.08Å; V399-K401 PolarHBondContact O-N 2.91Å; V399-K401 VanDerWaalsContact O-N 3.09Å; V399-H402 PolarHBondContact O-N 3.26Å |
| 400 | K | 50.8 | Low | 49.5 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 47% | 0.474 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.6 | -16.4 | -178 | -173 | 52.2 | -172.5 | 133.6 | 0 | 114.6 | N398 D404 | N398-K400 VanDerWaalsContact C-N 3.25Å; N398-K400 PolarHBondContact O-N 3.25Å; K400-D404 IonicContact NZ-OD1 2.77Å; K400-D404 PolarHBondContact NZ-OD1 2.8Å; K400-D404 IonicContact NZ-OD2 3.52Å |
| 401 | K | 48.2 | Very low | 49.3 | Very low | 150 Ų | 150 | 122.5 Ų | 122.5 | 65% | 0.652 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -91.3 | -16.7 | 177.5 | -74.6 | 176.7 | 179.7 | 164.6 | 0 | 114.6 | N398 V399 | N398-K401 PolarHBondContact O-N 2.79Å; V399-K401 PolarHBondContact O-N 2.91Å; V399-K401 VanDerWaalsContact O-N 3.09Å |
| 402 | H | 48 | Very low | 48.7 | Very low | 96 Ų | 96 | 121.5 Ų | 121.5 | 44% | 0.444 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -78.3 | -37.5 | 177.2 | -159.1 | -114.2 | 0 | 0 | 0 | 111.4 | E27 V399 D404 Y405 | E27-H402 IonicContact OE2-CD2 2.78Å; E27-H402 IonicContact OE2-CE1 2.81Å; E27-H402 IonicContact OE2-NE2 3.89Å; E27-H402 PolarHBondContact OE2-NE2 2.92Å; V399-H402 PolarHBondContact O-N 3.26Å; H402-D404 VanDerWaalsContact C-N 3.35Å; H402-D404 PolarHBondContact O-N 3.36Å; H402-Y405 PolarHBondContact O-N 3.39Å |
| 403 | M | 45.4 | Very low | 48.1 | Very low | 134 Ų | 134 | 123 Ų | 123 | 66% | 0.66 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -71.4 | -22.7 | -172.6 | -154.3 | 166.7 | 73.9 | 0 | 0 | 114.8 | | |
| 404 | D | 45.4 | Very low | 47.5 | Very low | 103 Ų | 103 | 125.4 Ų | 125.4 | 55% | 0.551 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -85.3 | -5.5 | -177.2 | -63.7 | -9.4 | 0 | 0 | 0 | 113 | K400 H402 | K400-D404 IonicContact NZ-OD1 2.77Å; K400-D404 PolarHBondContact NZ-OD1 2.8Å; K400-D404 IonicContact NZ-OD2 3.52Å; H402-D404 VanDerWaalsContact C-N 3.35Å; H402-D404 PolarHBondContact O-N 3.36Å |
| 405 | Y | 42.8 | Very low | 46.7 | Very low | 203 Ų | 203 | 130.7 Ų | 130.7 | 80% | 0.796 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -93.7 | -12.3 | 178.7 | -94.2 | -78.5 | 0 | 0 | 0 | 115.1 | H402 | H402-Y405 PolarHBondContact O-N 3.39Š|
| 406 | H | 49.2 | Very low | 45.7 | Very low | 140 Ų | 140 | 131 Ų | 131 | 65% | 0.648 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -92.8 | -10.4 | -175.8 | -166.2 | -92.7 | 0 | 0 | 0 | 113.8 | | |
| 407 | A | 46 | Very low | 44.6 | Very low | 89 Ų | 89 | 130.7 Ų | 130.7 | 74% | 0.736 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -22.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 408 | D | 42.7 | Very low | 43.8 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 83% | 0.834 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 19.1 | -166.3 | -159.4 | 37.2 | 0 | 0 | 0 | 113.8 | | |
| 409 | V | 48 | Very low | 43.4 | Very low | 100 Ų | 100 | 133 Ų | 133 | 61% | 0.606 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -119.8 | -10.5 | -170.7 | -171.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 410 | Q | 46.7 | Very low | 42.5 | Very low | 156 Ų | 156 | 138 Ų | 138 | 73% | 0.729 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -90 | -17.3 | -176.7 | -69.2 | -164.8 | -0.4 | 0 | 0 | 115.7 | V412 | Q410-V412 PolarHBondContact O-N 3.14Š|
| 411 | E | 49.8 | Very low | 41.8 | Very low | 183 Ų | 183 | 138.7 Ų | 138.7 | 86% | 0.855 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -87.9 | 1.4 | -169.8 | -142.9 | -170.8 | 144.1 | 0 | 0 | 115.7 | | |
| 412 | V | 40.7 | Very low | 41.2 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -133.8 | 44.8 | -170.8 | -67 | 0 | 0 | 0 | 0 | 115.4 | Q410 | Q410-V412 PolarHBondContact O-N 3.14Š|
| 413 | N | 38.7 | Very low | 41 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | | | trans | -131.2 | 43.1 | 177.5 | -105.5 | -34.1 | 0 | 0 | 0 | 115.2 | | |
| 414 | H | 42 | Very low | 40.6 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 75% | 0.745 | 76% | 0.762 | S | S | * | * | | | trans | -152.7 | 62.4 | 166.7 | 27.6 | -91 | 0 | 0 | 0 | 113.7 | | |
| 415 | L | 37.2 | Very low | 40.4 | Very low | 170 Ų | 170 | 142.8 Ų | 142.8 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | | | trans | -168.8 | 91.2 | 161.7 | -97.7 | 145.9 | 0 | 0 | 0 | 107.7 | | |
| 416 | S | 28.5 | Very low | 40.2 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | | | | 78.2 | 122.1 | 79.4 | -170.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 417 | T | 31.3 | Very low | 39.3 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | | | trans | 82.2 | 93.1 | 149.8 | -56 | 0 | 0 | 0 | 0 | 121.4 | | |
| 418 | V | 37.1 | Very low | 38.7 | Very low | 134 Ų | 134 | 143.8 Ų | 143.8 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | | | | 72.3 | 155.4 | 128.5 | 176.1 | 0 | 0 | 0 | 0 | 118.5 | | |
| 419 | P | 41.8 | Very low | 38.4 | Very low | 118 Ų | 118 | 145 Ų | 145 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | | -101.4 | 171.5 | -88.1 | 39.3 | -19.3 | 0 | 0 | 0 | 115.2 | | |
| 420 | K | 31.9 | Very low | 38.4 | Very low | 210 Ų | 210 | 146.1 Ų | 146.1 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | | | trans | -109.5 | 116.8 | 179.7 | -133.4 | 165.9 | -170.6 | 166.4 | 0 | 112.3 | | |
| 421 | P | 36.6 | Very low | 38 | Very low | 124 Ų | 124 | 146.6 Ų | 146.6 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -80 | 162.2 | -179.8 | 31.7 | -34.9 | 0 | 0 | 0 | 113.6 | | |
| 422 | M | 36 | Very low | 37.3 | Very low | 181 Ų | 181 | 146.3 Ų | 146.3 | 89% | 0.892 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73 | 158 | -170.3 | -62.5 | 176 | 71.9 | 0 | 0 | 115.3 | P424 | M422-P424 VanDerWaalsContact O-CD 3.29Å; M422-P424 WeakPolarHBondContact O-CD 3.44Å |
| 423 | V | 43 | Very low | 36.7 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 118.9 | -178 | -179.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 424 | P | 37.6 | Very low | 36.6 | Very low | 109 Ų | 109 | 146 Ų | 146 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | | | trans | -87.2 | 111.3 | 169.9 | -8.9 | 28.1 | 0 | 0 | 0 | 112 | M422 R426 | M422-P424 VanDerWaalsContact O-CD 3.29Å; M422-P424 WeakPolarHBondContact O-CD 3.44Å; P424-R426 PolarHBondContact O-N 3.24Å |
| 425 | N | 40.4 | Very low | 36.2 | Very low | 152 Ų | 152 | 147 Ų | 147 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | trans | -69.7 | 117 | 164.7 | -84.7 | -93.4 | 0 | 0 | 0 | 110.3 | | |
| 426 | R | 38.5 | Very low | 35.8 | Very low | 226 Ų | 226 | 144.9 Ų | 144.9 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | | | trans | -139.2 | 128.6 | 161.6 | -67.3 | -170.6 | 167.6 | 146.5 | -0.5 | 109.3 | P424 | P424-R426 PolarHBondContact O-N 3.24Š|
| 427 | T | 30.4 | Very low | 35.9 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | | | cis | 76.7 | 134.8 | 42.9 | -53.1 | 0 | 0 | 0 | 0 | 112 | | |
| 428 | A | 33.1 | Very low | 36.6 | Very low | 86 Ų | 86 | 145 Ų | 145 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | trans | -103 | 168.8 | -155 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 429 | K | 38.3 | Very low | 36.1 | Very low | 181 Ų | 181 | 143.8 Ų | 143.8 | 79% | 0.787 | 79% | 0.79 | S | S | * | * | | | trans | 74.1 | 159.9 | 167.7 | -74.8 | -177.7 | 179.1 | -179 | 0 | 115.2 | | |
| 430 | P | 47.8 | Very low | 35.7 | Very low | 125 Ų | 125 | 145.2 Ų | 145.2 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | | | cis | -121.1 | -158.7 | 17.4 | 43.5 | -29.5 | 0 | 0 | 0 | 116.1 | | |
| 431 | F | 37.4 | Very low | 35.5 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | | | trans | -98.3 | 179.6 | -175 | -65 | -96.2 | 0 | 0 | 0 | 113 | | |
| 432 | L | 34.3 | Very low | 35.7 | Very low | 177 Ų | 177 | 141.5 Ų | 141.5 | 93% | 0.927 | 77% | 0.773 | S | S | * | * | | | trans | 80.1 | 143.9 | 178.6 | -74.7 | 68 | 0 | 0 | 0 | 114.3 | | |
| 433 | G | 29.8 | Very low | 35.5 | Very low | 71 Ų | 71 | 138.6 Ų | 138.6 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | | | cis | -161.3 | -173.4 | 4.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 434 | F | 36.3 | Very low | 35.1 | Very low | 190 Ų | 190 | 138.5 Ų | 138.5 | 83% | 0.833 | 77% | 0.765 | S | S | * | * | | | trans | -61.1 | 145.3 | 177.5 | -77.4 | -115.8 | 0 | 0 | 0 | 112.3 | | |
| 435 | Q | 33.6 | Very low | 35 | Very low | 182 Ų | 182 | 141.2 Ų | 141.2 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | | | | -150.5 | 153 | 124.9 | -86.3 | -56 | 16.8 | 0 | 0 | 110.9 | | |
| 436 | D | 28.4 | Very low | 34.5 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 66% | 0.663 | 77% | 0.772 | S | S | * | * | | | trans | -105.3 | 122 | -178.5 | -61.3 | -76.1 | 0 | 0 | 0 | 112.7 | | |
| 437 | S | 29.6 | Very low | 34.2 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | 57.8 | -172.3 | 153.8 | -49.2 | 0 | 0 | 0 | 0 | 117.5 | | |
| 438 | P | 46.9 | Very low | 34.3 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | | | cis | -117.7 | -149.2 | -31.8 | 30.1 | -8.7 | 0 | 0 | 0 | 110.5 | | |
| 439 | T | 27.3 | Very low | 34.4 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | | | trans | 76.4 | 95.3 | 158.5 | -50.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 440 | L | 31.8 | Very low | 34.1 | Very low | 148 Ų | 148 | 128.7 Ų | 128.7 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | | | | 71.8 | 126.8 | 81.3 | -70.9 | 163.9 | 0 | 0 | 0 | 113.7 | | |
| 441 | E | 29.4 | Very low | 34 | Very low | 168 Ų | 168 | 129 Ų | 129 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | | -162.9 | 160.8 | 130 | -94 | -37.9 | 82.6 | 0 | 0 | 109.3 | | |
| 442 | P | 40.8 | Very low | 33.6 | Very low | 89 Ų | 89 | 124.9 Ų | 124.9 | 58% | 0.578 | 77% | 0.768 | S | S | * | * | | | trans | -137.4 | -160.9 | -135.6 | 30.3 | -4.1 | 0 | 0 | 0 | 114.5 | | |
| 443 | V | 30.4 | Very low | 33.9 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | | | trans | 74.6 | 117.2 | 165 | -168.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 444 | T | 34.8 | Very low | 34.3 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | | -146 | 148.8 | 64.1 | -1.5 | 0 | 0 | 0 | 0 | 115 | | |
| 445 | M | 35.9 | Very low | 34.2 | Very low | 167 Ų | 167 | 128.9 Ų | 128.9 | 82% | 0.823 | 76% | 0.762 | S | S | * | * | | | trans | 2.6 | 147.8 | 138.9 | -56.5 | -50.9 | -179.4 | 0 | 0 | 119.5 | | |
| 446 | S | 30.5 | Very low | 34.2 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | | | cis | -173.1 | 157.3 | -7 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 447 | G | 31.6 | Very low | 34.1 | Very low | 77 Ų | 77 | 127.7 Ų | 127.7 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | | | trans | 106.1 | 138.1 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 448 | G | 33.2 | Very low | 34.6 | Very low | 71 Ų | 71 | 129.7 Ų | 129.7 | 73% | 0.732 | 75% | 0.754 | S | S | * | * | | | trans | 119.1 | 67.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 449 | V | 35.4 | Very low | 34 | Very low | 144 Ų | 144 | 128.1 Ų | 128.1 | 87% | 0.873 | 75% | 0.75 | S | S | * | * | | | trans | 23.3 | 109.7 | 151.3 | -74.4 | 0 | 0 | 0 | 0 | 120.2 | | |
| 450 | S | 31.5 | Very low | 34.3 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | | | trans | -68.6 | 166.7 | 145.5 | -47.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 451 | P | 44.9 | Very low | 34.3 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | | | | -131.9 | 145.8 | 101.8 | 36.7 | -30.5 | 0 | 0 | 0 | 113.6 | | |
| 452 | A | 30.2 | Very low | 34.4 | Very low | 78 Ų | 78 | 129.3 Ų | 129.3 | 65% | 0.645 | 75% | 0.747 | S | S | * | * | | | trans | -122 | 130.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 453 | M | 40.2 | Very low | 34.5 | Very low | 178 Ų | 178 | 130.2 Ų | 130.2 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | | | trans | -125.9 | 115.4 | 163.5 | -48.7 | -147 | -54.5 | 0 | 0 | 107.1 | | |
| 454 | K | 37.1 | Very low | 34.5 | Very low | 186 Ų | 186 | 129.7 Ų | 129.7 | 81% | 0.809 | 75% | 0.75 | S | S | * | * | | | | 71.2 | 133.1 | 59.2 | -68.5 | 179 | -178.7 | 176.2 | 0 | 112.1 | | |
| 455 | K | 34 | Very low | 34.2 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | | | cis | -167.5 | -169.8 | -12.6 | -135.6 | -173.7 | 175.8 | -115.8 | 0 | 109.7 | E457 | K455-E457 IonicContact NZ-OE2 2.87Å; K455-E457 PolarHBondContact NZ-OE2 2.85Å |
| 456 | H | 33.7 | Very low | 33.9 | Very low | 159 Ų | 159 | 127.8 Ų | 127.8 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | | | trans | 87.2 | 119.9 | 176 | -83.5 | -81.5 | 0 | 0 | 0 | 117.2 | | |
| 457 | E | 27.6 | Very low | 33.8 | Very low | 121 Ų | 121 | 129 Ų | 129 | 57% | 0.565 | 74% | 0.743 | S | S | * | * | | | cis | 84.2 | 88.2 | 11.1 | -153.5 | -170.6 | 152 | 0 | 0 | 117 | K455 | K455-E457 IonicContact NZ-OE2 2.87Å; K455-E457 PolarHBondContact NZ-OE2 2.85Å |
| 458 | L | 39.9 | Very low | 33.7 | Very low | 154 Ų | 154 | 130.4 Ų | 130.4 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | | | | -171.1 | 124 | 129.8 | -126.1 | 72.3 | 0 | 0 | 0 | 106.6 | | |
| 459 | A | 33.7 | Very low | 33.5 | Very low | 77 Ų | 77 | 134.3 Ų | 134.3 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | | | cis | 80 | 100.9 | 29.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 460 | F | 32.8 | Very low | 34.3 | Very low | 178 Ų | 178 | 132.4 Ų | 132.4 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | | | trans | 175.7 | 146.2 | 154.4 | -112.9 | -135.7 | 0 | 0 | 0 | 107.4 | | |
| 461 | K | 33.4 | Very low | 34.1 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 64% | 0.635 | 74% | 0.74 | S | S | * | * | | | cis | -162.4 | 131.5 | -16.8 | -119.6 | -162.6 | -176.2 | 173.9 | 0 | 107.7 | | |
| 462 | V | 31.1 | Very low | 33.4 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | | | | 91.1 | 146.6 | 94.6 | 144.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 463 | P | 43.4 | Very low | 33.3 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | | | | -139.6 | -139 | -114.3 | 44.9 | -26.5 | 0 | 0 | 0 | 115.1 | | |
| 464 | V | 29.1 | Very low | 33.6 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 66% | 0.661 | 74% | 0.737 | S | S | * | * | | | trans | 81.4 | 117.9 | 173.5 | -168.3 | 0 | 0 | 0 | 0 | 112.7 | I466 | V464-I466 HydrophobicContact CG1-CG1 4.13Š|
| 465 | S | 28.4 | Very low | 33.6 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | | | | 68.2 | 156.2 | 66.3 | -47.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 466 | I | 29.6 | Very low | 33.4 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | | | cis | -162.7 | 163.6 | 36.7 | -11.7 | 171.7 | 0 | 0 | 0 | 112.3 | V464 | V464-I466 HydrophobicContact CG1-CG1 4.13Š|
| 467 | N | 28.1 | Very low | 33.3 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | | | trans | 76.4 | 152.8 | 160.3 | 102.4 | 79.9 | 0 | 0 | 0 | 118.4 | | |
| 468 | S | 30.7 | Very low | 33.9 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | | | cis | -137.6 | 160.5 | 7.7 | 23.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 469 | N | 29.3 | Very low | 34.1 | Very low | 153 Ų | 153 | 133 Ų | 133 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | -108.4 | 178.1 | 172.1 | -143.6 | -2.2 | 0 | 0 | 0 | 106.6 | | |
| 470 | P | 51.8 | Low | 34.7 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | | | cis | -145.6 | -162.8 | 1.8 | 44.9 | -24.3 | 0 | 0 | 0 | 116.8 | | |
| 471 | K | 26.8 | Very low | 35 | Very low | 199 Ų | 199 | 133.2 Ų | 133.2 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | | | trans | 113.3 | 161.4 | 148.2 | -142.9 | 69.6 | 174.9 | -174.6 | 0 | 116.2 | | |
| 472 | V | 31.2 | Very low | 35.5 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 70% | 0.697 | 75% | 0.752 | S | S | * | * | | | trans | -135.8 | 138.2 | -153.3 | 171 | 0 | 0 | 0 | 0 | 111.8 | | |
| 473 | W | 28.1 | Very low | 36.2 | Very low | 236 Ų | 236 | 133.1 Ų | 133.1 | 89% | 0.894 | 75% | 0.753 | S | S | * | * | | | trans | 64.6 | 108 | 161.1 | -71.6 | 8.1 | 0 | 0 | 0 | 121.3 | | |
| 474 | S | 45.7 | Very low | 36.7 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | | | | 25.3 | 143.1 | 128.5 | 62.4 | 0 | 0 | 0 | 0 | 122.3 | | |
| 475 | P | 38.2 | Very low | 38 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | | | | -128.7 | 148.8 | 120.1 | 37.6 | -30.8 | 0 | 0 | 0 | 115.1 | | |
| 476 | T | 29.8 | Very low | 39.2 | Very low | 146 Ų | 146 | 140.7 Ų | 140.7 | 90% | 0.896 | 76% | 0.756 | S | S | * | * | | | trans | 38.1 | 127.5 | 138.7 | -48 | 0 | 0 | 0 | 0 | 122.1 | | |
| 477 | G | 30.7 | Very low | 40.3 | Very low | 59 Ų | 59 | 141.7 Ų | 141.7 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | | | trans | 128.5 | 94.4 | 138.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 478 | D | 40.3 | Very low | 41.1 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | | | trans | 50.6 | -178.9 | 137.7 | -54.9 | -28.5 | 0 | 0 | 0 | 123 | | |
| 479 | I | 44.7 | Very low | 41.6 | Very low | 151 Ų | 151 | 141 Ų | 141 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | | | trans | 67.9 | 88.3 | 176.3 | -44.5 | 173.5 | 0 | 0 | 0 | 114.1 | | |
| 480 | I | 46.1 | Very low | 42.4 | Very low | 164 Ų | 164 | 139.3 Ų | 139.3 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | | | | 64.9 | 95.9 | 66.7 | -49.8 | 166.6 | 0 | 0 | 0 | 113.9 | | |
| 481 | A | 39 | Very low | 41.9 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | | | trans | -155.7 | 155.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 482 | S | 44 | Very low | 42.6 | Very low | 61 Ų | 61 | 138.1 Ų | 138.1 | 43% | 0.427 | 77% | 0.767 | S | S | . | * | | | trans | -71.4 | 142.5 | -166.8 | -176 | 0 | 0 | 0 | 0 | 115 | D484 | S482-D484 PolarHBondContact OG-N 3.42Š|
| 483 | R | 45.5 | Very low | 43.3 | Very low | 209 Ų | 209 | 142.1 Ų | 142.1 | 79% | 0.789 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -83.5 | -19.2 | 166.2 | -177.8 | 168.6 | 171.8 | 139.7 | -2.3 | 112.9 | | |
| 484 | D | 54.3 | Low | 44 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -82.4 | -14.3 | -175.3 | -74.5 | -12.4 | 0 | 0 | 0 | 113.6 | S482 R486 | S482-D484 PolarHBondContact OG-N 3.42Å; D484-R486 PolarHBondContact O-N 3.36Å |
| 485 | E | 55.2 | Low | 44.1 | Very low | 143 Ų | 143 | 135.8 Ų | 135.8 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -68.3 | -2.1 | -179 | -76.9 | 175.4 | 168 | 0 | 0 | 114.8 | | |
| 486 | R | 54.1 | Low | 44.2 | Very low | 201 Ų | 201 | 138.1 Ų | 138.1 | 76% | 0.758 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -96.1 | 6.2 | -176.8 | -70.5 | -165.6 | -66.3 | -142.3 | -2.6 | 116 | D484 | D484-R486 PolarHBondContact O-N 3.36Š|
| 487 | I | 52.3 | Low | 44.8 | Very low | 164 Ų | 164 | 137.8 Ų | 137.8 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -132.6 | 40.4 | 179.9 | -30.3 | -179 | 0 | 0 | 0 | 113.6 | | |
| 488 | S | 45.4 | Very low | 45.7 | Very low | 97 Ų | 97 | 140.4 Ų | 140.4 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | trans | -138.1 | 86.6 | 172 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 489 | V | 40.6 | Very low | 45.6 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | | | trans | -121.9 | 129.1 | 169 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 490 | P | 47.6 | Very low | 45.2 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | trans | -88.7 | 151.3 | -173 | 33.8 | -35.2 | 0 | 0 | 0 | 115 | | |
| 491 | A | 40.5 | Very low | 45 | Very low | 96 Ų | 96 | 137.4 Ų | 137.4 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | | | trans | -3.3 | 144.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 492 | I | 41 | Very low | 45.2 | Very low | 183 Ų | 183 | 144.5 Ų | 144.5 | 94% | 0.938 | 77% | 0.765 | S | S | * | * | | | trans | -127.2 | 157.7 | 147.9 | 29.2 | 173 | 0 | 0 | 0 | 111.1 | | |
| 493 | K | 46.4 | Very low | 45 | Very low | 199 Ų | 199 | 151.2 Ų | 151.2 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | | | trans | -141 | 113.2 | -159.7 | 170.6 | -162.3 | 166.5 | -171.1 | 0 | 112.4 | | |
| 494 | T | 42.3 | Very low | 44.4 | Very low | 142 Ų | 142 | 147.6 Ų | 147.6 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | | | trans | -144.2 | 151.8 | 158.6 | 44.7 | 0 | 0 | 0 | 0 | 106.5 | | |
| 495 | G | 47.3 | Very low | 43.4 | Very low | 64 Ų | 64 | 145.1 Ų | 145.1 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | | | cis | 88.4 | 119 | 36.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 496 | I | 41.5 | Very low | 42.2 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | | | cis | -148.4 | 158.3 | 25.1 | -77.2 | 152.8 | 0 | 0 | 0 | 110.4 | | |
| 497 | L | 43.2 | Very low | 41.2 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 73% | 0.728 | 80% | 0.798 | S | S | * | * | | | trans | -87.7 | 139.3 | 170 | 171.7 | 69.3 | 0 | 0 | 0 | 111.3 | E499 | L497-E499 HydrophobicContact CD2-CG 4.26Š|
| 498 | P | 47.8 | Very low | 40.1 | Very low | 114 Ų | 114 | 146 Ų | 146 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | | | trans | -117.6 | 134.4 | 142.9 | 34 | -27.8 | 0 | 0 | 0 | 112 | | |
| 499 | E | 39.5 | Very low | 40.2 | Very low | 132 Ų | 132 | 146 Ų | 146 | 62% | 0.617 | 80% | 0.796 | S | S | * | * | | | trans | -75.9 | 156.6 | 169.9 | -55.1 | -174.6 | 130.3 | 0 | 0 | 111.2 | L497 K501 | L497-E499 HydrophobicContact CD2-CG 4.26Å; E499-K501 IonicContact OE1-NZ 2.9Å; E499-K501 PolarHBondContact OE1-NZ 2.89Å; E499-K501 IonicContact OE2-NZ 2.68Å; E499-K501 PolarHBondContact OE2-NZ 3.27Å |
| 500 | S | 36.8 | Very low | 39.5 | Very low | 124 Ų | 124 | 145 Ų | 145 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | | | trans | -142.2 | 142.7 | 144.7 | 63.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 501 | K | 40.7 | Very low | 38.6 | Very low | 153 Ų | 153 | 146 Ų | 146 | 67% | 0.665 | 80% | 0.798 | S | S | * | * | | | trans | -125.3 | 148.9 | -173.7 | -70.4 | 167.7 | 176.7 | 142.7 | 0 | 109.9 | E499 | E499-K501 IonicContact OE1-NZ 2.9Å; E499-K501 PolarHBondContact OE1-NZ 2.89Å; E499-K501 IonicContact OE2-NZ 2.68Å; E499-K501 PolarHBondContact OE2-NZ 3.27Å |
| 502 | R | 42.4 | Very low | 39 | Very low | 246 Ų | 246 | 147.1 Ų | 147.1 | 93% | 0.928 | 80% | 0.797 | S | S | * | * | | | trans | 163.9 | 115.7 | 157 | -94.7 | -176.2 | -53.7 | 167.3 | 7.6 | 106.2 | | |
| 503 | K | 41.7 | Very low | 38.3 | Very low | 203 Ų | 203 | 142.6 Ų | 142.6 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | | | cis | 91.7 | 82.3 | 14.5 | -156.6 | -168.9 | 153.9 | -175.5 | 0 | 116.7 | | |
| 504 | T | 32.6 | Very low | 37.4 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | trans | -157.7 | 134.2 | 152.2 | 20.8 | 0 | 0 | 0 | 0 | 104.9 | | |
| 505 | A | 32.5 | Very low | 36.8 | Very low | 89 Ų | 89 | 142 Ų | 142 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | | | cis | 68.5 | 130.5 | 43.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 506 | N | 30.2 | Very low | 36 | Very low | 152 Ų | 152 | 144.3 Ų | 144.3 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | cis | -160.5 | 174.3 | 17.9 | -155 | -11.4 | 0 | 0 | 0 | 112.8 | | |
| 507 | K | 33.3 | Very low | 35.5 | Very low | 196 Ų | 196 | 145 Ų | 145 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | | | trans | 81.5 | 157.4 | 165.8 | -60.2 | -172.5 | 177.8 | -176.6 | 0 | 120.8 | | |
| 508 | H | 28.7 | Very low | 34.8 | Very low | 177 Ų | 177 | 146.6 Ų | 146.6 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | | | trans | -162.7 | 160.3 | -168.9 | 162.1 | -89.6 | 0 | 0 | 0 | 105.6 | | |
| 509 | P | 46.7 | Very low | 33.9 | Very low | 99 Ų | 99 | 150.1 Ų | 150.1 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | | | cis | -123.3 | 179.5 | -15.5 | 37.6 | -22.9 | 0 | 0 | 0 | 114.2 | | |
| 510 | S | 26.5 | Very low | 33.5 | Very low | 117 Ų | 117 | 149.4 Ų | 149.4 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -168.5 | 143.6 | 141.6 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 511 | V | 29.2 | Very low | 33.3 | Very low | 139 Ų | 139 | 151.7 Ų | 151.7 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | | | trans | -153 | 148.7 | 171.8 | 174.8 | 0 | 0 | 0 | 0 | 106.1 | | |
| 512 | P | 47.9 | Very low | 32.8 | Very low | 120 Ų | 120 | 150.3 Ų | 150.3 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | | | cis | -120.1 | -176.6 | -16.7 | 39.6 | -25.9 | 0 | 0 | 0 | 112.8 | | |
| 513 | A | 26.4 | Very low | 32.7 | Very low | 89 Ų | 89 | 149.1 Ų | 149.1 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | | | trans | -172.7 | 142.3 | 138.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 514 | K | 28.5 | Very low | 32.3 | Very low | 177 Ų | 177 | 142.8 Ų | 142.8 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | | | trans | 41.3 | 122.7 | 139.3 | -61.9 | -153.4 | 167.1 | -161.7 | 0 | 120.6 | | |
| 515 | E | 29.1 | Very low | 32.4 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 71% | 0.71 | 79% | 0.792 | S | S | * | * | | | | 83.4 | 158.8 | 65.7 | -71.7 | 169.1 | 161.3 | 0 | 0 | 113.4 | | |
| 516 | S | 30.9 | Very low | 32.6 | Very low | 111 Ų | 111 | 148.2 Ų | 148.2 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | 64.8 | 127.2 | -155.4 | 69.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 517 | E | 31.1 | Very low | 33 | Very low | 185 Ų | 185 | 150.7 Ų | 150.7 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | cis | 69.8 | 112.9 | 32.4 | -53.9 | -168.2 | 146.8 | 0 | 0 | 115 | | |
| 518 | L | 28.9 | Very low | 33.1 | Very low | 171 Ų | 171 | 147.4 Ų | 147.4 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | | | | -165.6 | 167.5 | 121.4 | -108.9 | 171.6 | 0 | 0 | 0 | 112.6 | | |
| 519 | Y | 28.9 | Very low | 33.6 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 74% | 0.737 | 79% | 0.793 | S | S | * | * | | | trans | -82.7 | 152.6 | -174 | -94 | -126 | 0 | 0 | 0 | 114.6 | Q521 | Y519-Q521 HydrophobicContact CD1-CG 4.26Š|
| 520 | S | 31 | Very low | 33.5 | Very low | 118 Ų | 118 | 150.6 Ų | 150.6 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | -169.3 | 99.8 | 136.8 | -77 | 0 | 0 | 0 | 0 | 106.7 | | |
| 521 | Q | 33.3 | Very low | 34 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | | 45.6 | 109.4 | 74.6 | -82.7 | -167.9 | 4.4 | 0 | 0 | 115.1 | Y519 | Y519-Q521 HydrophobicContact CD1-CG 4.26Š|
| 522 | S | 29.3 | Very low | 34.6 | Very low | 123 Ų | 123 | 149 Ų | 149 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | -146.8 | 120.3 | 145.8 | 53.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 523 | K | 39.5 | Very low | 35.1 | Very low | 222 Ų | 222 | 150.8 Ų | 150.8 | 97% | 0.965 | 78% | 0.781 | S | S | * | * | | | trans | -81.4 | 156.4 | 168.3 | -80.5 | -171 | 173.6 | -174 | 0 | 109.6 | | |
| 524 | G | 34.4 | Very low | 36.5 | Very low | 69 Ų | 69 | 155.7 Ų | 155.7 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | 143.3 | 68.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 525 | E | 34.2 | Very low | 37.9 | Very low | 146 Ų | 146 | 152.7 Ų | 152.7 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | | | | 93.7 | 137.5 | 80.3 | -89 | -145.1 | 111.4 | 0 | 0 | 114.3 | | |
| 526 | R | 37.6 | Very low | 39 | Very low | 189 Ų | 189 | 154.4 Ų | 154.4 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | | | trans | 65.3 | 77.7 | 163 | -61.8 | -171.1 | -173.7 | 78.3 | 19.5 | 119.4 | | |
| 527 | K | 37.9 | Very low | 39.9 | Very low | 204 Ų | 204 | 157 Ų | 157 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | | | | 51.1 | 103.3 | 116 | -62.5 | -179.4 | 178.9 | -170.2 | 0 | 118.2 | | |
| 528 | S | 35.9 | Very low | 41 | Very low | 128 Ų | 128 | 152.3 Ų | 152.3 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | | | trans | -131.2 | 116.9 | 134.2 | 57.6 | 0 | 0 | 0 | 0 | 109 | | |
| 529 | Y | 38.6 | Very low | 42.3 | Very low | 187 Ų | 187 | 149 Ų | 149 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | | | trans | -102.5 | 110.1 | -171.7 | 163.4 | -101.3 | 0 | 0 | 0 | 110.2 | E531 | Y529-E531 HydrophobicContact CE2-CG 3.9Å; Y529-E531 PolarHBondContact OH-OE2 3.49Å |
| 530 | I | 44.2 | Very low | 43 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | | | trans | -139.6 | 114 | 160.3 | -62.6 | -177.2 | 0 | 0 | 0 | 106 | | |
| 531 | E | 36.5 | Very low | 44.1 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 52% | 0.519 | 75% | 0.745 | S | S | . | * | | | trans | -70.1 | 151.8 | 173.7 | -90.6 | 174.5 | 127.2 | 0 | 0 | 112.1 | Y529 E533 | Y529-E531 HydrophobicContact CE2-CG 3.9Å; Y529-E531 PolarHBondContact OH-OE2 3.49Å; E531-E533 HydrophobicContact CB-CG 4.28Å |
| 532 | S | 42.2 | Very low | 45 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | | | trans | -144.5 | 68 | 176.7 | -69.6 | 0 | 0 | 0 | 0 | 108.5 | E534 | S532-E534 PolarHBondContact O-N 2.83Š|
| 533 | E | 59.1 | Low | 45.8 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | | | trans | -71.1 | 28.1 | -171 | -62.6 | -178 | -96.8 | 0 | 0 | 115.2 | E531 | E531-E533 HydrophobicContact CB-CG 4.28Š|
| 534 | E | 54.7 | Low | 46.4 | Very low | 193 Ų | 193 | 129.7 Ų | 129.7 | 90% | 0.902 | 70% | 0.698 | S | S | * | * | | | trans | -126.5 | 36 | -166.3 | -69.4 | -158.5 | -101.7 | 0 | 0 | 116.4 | S532 | S532-E534 PolarHBondContact O-N 2.83Š|
| 535 | D | 57.7 | Low | 47.4 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 61% | 0.61 | 70% | 0.695 | S | S | * | * | | | trans | -148.1 | 54.5 | 160.9 | -159.8 | -6.1 | 0 | 0 | 0 | 114.8 | F537 S538 | D535-F537 PolarHBondContact O-N 2.89Å; D535-S538 PolarHBondContact OD1-N 2.81Å |
| 536 | F | 52.9 | Low | 48.5 | Very low | 188 Ų | 188 | 134.1 Ų | 134.1 | 83% | 0.825 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -77.9 | 8.2 | 170.6 | -108.7 | -79.1 | 0 | 0 | 0 | 114.4 | | |
| 537 | F | 50 | Low | 49.1 | Very low | 165 Ų | 165 | 132.1 Ų | 132.1 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | | | trans | -141.2 | 62.2 | -178 | -70.7 | -64.7 | 0 | 0 | 0 | 113.9 | D535 L539 | D535-F537 PolarHBondContact O-N 2.89Å; F537-L539 HydrophobicContact CD1-CD1 3.73Å; F537-L539 HydrophobicContact CD1-CG 4.32Å; F537-L539 HydrophobicContact CE1-CD1 4.41Å; F537-L539 PolarHBondContact O-N 3.27Å |
| 538 | S | 53.8 | Low | 50.1 | Low | 86 Ų | 86 | 128.6 Ų | 128.6 | 60% | 0.601 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -59.5 | 8.5 | 167.5 | -74.9 | 0 | 0 | 0 | 0 | 116 | D535 G540 A541 | D535-S538 PolarHBondContact OD1-N 2.81Å; S538-G540 PolarHBondContact O-N 3.15Å; S538-G540 VanDerWaalsContact O-N 3.07Å; S538-A541 PolarHBondContact O-N 2.8Å |
| 539 | L | 56.3 | Low | 50.8 | Low | 101 Ų | 101 | 128.2 Ų | 128.2 | 53% | 0.529 | 68% | 0.683 | S | S | . | * | G | 310 helix | trans | -57.1 | -18 | 175.2 | -60.3 | 177.5 | 0 | 0 | 0 | 114 | F537 A541 | F537-L539 HydrophobicContact CD1-CD1 3.73Å; F537-L539 HydrophobicContact CD1-CG 4.32Å; F537-L539 HydrophobicContact CE1-CD1 4.41Å; F537-L539 PolarHBondContact O-N 3.27Å; L539-A541 PolarHBondContact O-N 3.06Å |
| 540 | G | 44.6 | Very low | 51.7 | Low | 68 Ų | 68 | 128.1 Ų | 128.1 | 70% | 0.701 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -63.1 | -22 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S538 | S538-G540 PolarHBondContact O-N 3.15Å; S538-G540 VanDerWaalsContact O-N 3.07Å |
| 541 | A | 52.6 | Low | 51.8 | Low | 81 Ų | 81 | 126.7 Ų | 126.7 | 67% | 0.669 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -78.9 | -35.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | S538 L539 | S538-A541 PolarHBondContact O-N 2.8Å; L539-A541 PolarHBondContact O-N 3.06Å |
| 542 | E | 52.4 | Low | 52.6 | Low | 128 Ų | 128 | 128.2 Ų | 128.2 | 60% | 0.598 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -31.4 | -166.5 | 56.5 | -170.4 | -177 | 0 | 0 | 114 | C544 N545 | E542-C544 PolarHBondContact O-N 2.8Å; E542-C544 VanDerWaalsContact O-N 3.14Å; E542-N545 WeakPolarHBondContact O-CB 3.4Å; E542-N545 PolarHBondContact O-N 3Å; E542-N545 VanDerWaalsContact O-N 3.09Å; E542-N545 PolarHBondContact O-ND2 2.85Å |
| 543 | A | 47.4 | Very low | 53.2 | Low | 70 Ų | 70 | 132.3 Ų | 132.3 | 58% | 0.579 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -58 | -28.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N545 F546 | A543-N545 PolarHBondContact O-N 2.78Å; A543-F546 PolarHBondContact O-N 2.88Å |
| 544 | C | 50.4 | Low | 53.1 | Low | 71 Ų | 71 | 131.2 Ų | 131.2 | 48% | 0.48 | 70% | 0.7 | S | S | . | * | G | 310 helix | trans | -61.9 | -30.6 | 178.2 | -166.9 | 0 | 0 | 0 | 0 | 112.9 | E542 F546 M547 | E542-C544 PolarHBondContact O-N 2.8Å; E542-C544 VanDerWaalsContact O-N 3.14Å; C544-F546 PolarHBondContact O-N 2.99Å; C544-M547 PolarHBondContact O-N 2.97Å |
| 545 | N | 55.9 | Low | 53.2 | Low | 121 Ų | 121 | 131.6 Ų | 131.6 | 65% | 0.647 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -67.1 | -21.5 | -177.8 | -68.9 | -53.9 | 0 | 0 | 0 | 113.7 | E542 A543 | E542-N545 WeakPolarHBondContact O-CB 3.4Å; E542-N545 PolarHBondContact O-N 3Å; E542-N545 VanDerWaalsContact O-N 3.09Å; E542-N545 PolarHBondContact O-ND2 2.85Å; A543-N545 PolarHBondContact O-N 2.78Å |
| 546 | F | 58.7 | Low | 53.2 | Low | 187 Ų | 187 | 132.4 Ų | 132.4 | 82% | 0.82 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -81.3 | -19.3 | 178.7 | -161.6 | -98 | 0 | 0 | 0 | 113 | A543 C544 | A543-F546 PolarHBondContact O-N 2.88Å; C544-F546 PolarHBondContact O-N 2.99Å |
| 547 | M | 50.2 | Low | 53.7 | Low | 148 Ų | 148 | 128.8 Ų | 128.8 | 73% | 0.729 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | -3.9 | -176.1 | -70.3 | -86.4 | 72.4 | 0 | 0 | 114.6 | C544 P549 | C544-M547 PolarHBondContact O-N 2.97Å; M547-P549 WeakPolarHBondContact O-CD 3.4Å |
| 548 | Q | 57.1 | Low | 53.9 | Low | 130 Ų | 130 | 125.9 Ų | 125.9 | 61% | 0.607 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -86.7 | 115.6 | 172.1 | -64.1 | -162.2 | 11.8 | 0 | 0 | 111.1 | K550 | Q548-K550 PolarHBondContact O-N 3.49Å; Q548-K550 VanDerWaalsContact O-N 3.1Å |
| 549 | P | 51.7 | Low | 54.3 | Low | 119 Ų | 119 | 128.2 Ų | 128.2 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | | | trans | -66.4 | 113.5 | 172.9 | 27.3 | -32.9 | 0 | 0 | 0 | 109.4 | M547 | M547-P549 WeakPolarHBondContact O-CD 3.4Š|
| 550 | K | 57.2 | Low | 54.5 | Low | 186 Ų | 186 | 130 Ų | 130 | 81% | 0.809 | 72% | 0.724 | S | S | * | * | | | trans | -54.3 | 124.2 | 177.3 | -67.3 | 177.1 | -179 | 175 | 0 | 109.2 | Q548 I552 | Q548-K550 PolarHBondContact O-N 3.49Å; Q548-K550 VanDerWaalsContact O-N 3.1Å; K550-I552 PolarHBondContact O-N 2.9Å |
| 551 | P | 47.4 | Very low | 55.2 | Low | 125 Ų | 125 | 130.5 Ų | 130.5 | 81% | 0.812 | 72% | 0.722 | S | S | * | * | | | trans | -70.1 | 95.6 | -174.3 | 26.6 | -34.3 | 0 | 0 | 0 | 110.8 | K553 | P551-K553 PolarHBondContact O-N 2.59Å; P551-K553 VanDerWaalsContact O-N 3.08Å |
| 552 | I | 53 | Low | 55.3 | Low | 143 Ų | 143 | 132.5 Ų | 132.5 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | | | trans | -61.9 | 111.5 | 170 | -60.5 | 175.5 | 0 | 0 | 0 | 107.1 | K550 L554 | K550-I552 PolarHBondContact O-N 2.9Å; I552-L554 HydrophobicContact CG2-CD2 4.01Å; I552-L554 HydrophobicContact CG2-CG 4.31Å; I552-L554 PolarHBondContact O-N 2.96Å |
| 553 | K | 55.3 | Low | 55.1 | Low | 197 Ų | 197 | 135.7 Ų | 135.7 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | | | trans | -70.9 | 76.3 | 174.3 | -71.9 | -172.8 | 176.7 | -178.5 | 0 | 110.3 | P551 K555 | P551-K553 PolarHBondContact O-N 2.59Å; P551-K553 VanDerWaalsContact O-N 3.08Å; K553-K555 PolarHBondContact O-N 3.01Å |
| 554 | L | 55.4 | Low | 55.4 | Low | 135 Ų | 135 | 137.8 Ų | 137.8 | 71% | 0.707 | 75% | 0.748 | S | S | * | * | | | trans | -55.4 | 120 | 165.6 | -64.2 | 178.2 | 0 | 0 | 0 | 107.9 | I552 N556 | I552-L554 HydrophobicContact CG2-CD2 4.01Å; I552-L554 HydrophobicContact CG2-CG 4.31Å; I552-L554 PolarHBondContact O-N 2.96Å; L554-N556 PolarHBondContact O-N 3.09Å |
| 555 | K | 57.5 | Low | 55.4 | Low | 201 Ų | 201 | 141.2 Ų | 141.2 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -69.1 | -17.3 | -172.9 | -83.9 | -79.4 | -173.1 | 165.4 | 0 | 113.8 | K553 | K553-K555 PolarHBondContact O-N 3.01Š|
| 556 | N | 58.5 | Low | 55 | Low | 131 Ų | 131 | 142.4 Ų | 142.4 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -126.4 | 140 | 173.6 | -61 | -32.2 | 0 | 0 | 0 | 108.9 | L554 | L554-N556 PolarHBondContact O-N 3.09Š|
| 557 | P | 62.5 | Low | 54.6 | Low | 112 Ų | 112 | 138.9 Ų | 138.9 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 157.1 | 167.4 | 31.4 | -34.7 | 0 | 0 | 0 | 110.7 | | |
| 558 | P | 54.7 | Low | 54.7 | Low | 103 Ų | 103 | 137.8 Ų | 137.8 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 146.1 | 169.7 | 28.5 | -34.6 | 0 | 0 | 0 | 110.5 | V560 | P558-V560 PolarHBondContact O-N 3.09Š|
| 559 | P | 61.3 | Low | 54.1 | Low | 136 Ų | 136 | 135.1 Ų | 135.1 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 120.9 | -178.8 | 26.6 | -33.9 | 0 | 0 | 0 | 110.9 | | |
| 560 | V | 61.4 | Low | 53.9 | Low | 137 Ų | 137 | 134.5 Ų | 134.5 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 131 | 174.2 | 179.6 | 0 | 0 | 0 | 0 | 108.7 | P558 | P558-V560 PolarHBondContact O-N 3.09Š|
| 561 | A | 59 | Low | 53.4 | Low | 80 Ų | 80 | 131 Ų | 131 | 66% | 0.661 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 142.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K563 | A561-K563 PolarHBondContact O-N 3.24Š|
| 562 | P | 55.4 | Low | 53.1 | Low | 123 Ų | 123 | 129.9 Ų | 129.9 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -62 | 136.9 | 178.1 | 26.4 | -34.1 | 0 | 0 | 0 | 110.7 | | |
| 563 | K | 48 | Very low | 52.2 | Low | 195 Ų | 195 | 133.9 Ų | 133.9 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 137.4 | 175.3 | -73.6 | -177.4 | 174.7 | -178.2 | 0 | 110 | A561 | A561-K563 PolarHBondContact O-N 3.24Š|
| 564 | P | 53.4 | Low | 51.1 | Low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 136.7 | 169.8 | 29.3 | -33.7 | 0 | 0 | 0 | 110.4 | I566 | P564-I566 PolarHBondContact O-N 3.22Š|
| 565 | T | 49.9 | Very low | 50.4 | Low | 143 Ų | 143 | 131.4 Ų | 131.4 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | | | trans | -77 | 111.5 | 175.4 | -51.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 566 | I | 47.9 | Very low | 48.9 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | trans | -83.9 | 124.1 | 169.6 | -64.1 | 175.6 | 0 | 0 | 0 | 108.2 | P564 | P564-I566 PolarHBondContact O-N 3.22Š|
| 567 | N | 49.8 | Very low | 47.6 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 60% | 0.604 | 76% | 0.763 | S | S | * | * | | | trans | -77 | 126.2 | 172.6 | -179 | -17 | 0 | 0 | 0 | 109.1 | A569 | N567-A569 PolarHBondContact O-N 2.9Å; N567-A569 VanDerWaalsContact O-N 3.11Å; N567-A569 WeakPolarHBondContact OD1-CB 3.44Å; N567-A569 PolarHBondContact OD1-N 3.31Å |
| 568 | P | 53 | Low | 45.9 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -8.7 | -177.6 | 27.4 | -36.3 | 0 | 0 | 0 | 114.9 | C570 | P568-C570 VanDerWaalsContact C-N 3.3Å; P568-C570 PolarHBondContact O-N 2.84Å |
| 569 | A | 44.3 | Very low | 44.6 | Very low | 74 Ų | 74 | 129.7 Ų | 129.7 | 61% | 0.612 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -11.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | N567 | N567-A569 PolarHBondContact O-N 2.9Å; N567-A569 VanDerWaalsContact O-N 3.11Å; N567-A569 WeakPolarHBondContact OD1-CB 3.44Å; N567-A569 PolarHBondContact OD1-N 3.31Å |
| 570 | C | 47.7 | Very low | 42.9 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 72% | 0.723 | 77% | 0.769 | S | S | * | * | | | trans | -142 | 87.9 | -174.4 | -61.4 | 0 | 0 | 0 | 0 | 113.4 | P568 | P568-C570 VanDerWaalsContact C-N 3.3Å; P568-C570 PolarHBondContact O-N 2.84Å |
| 571 | P | 45.4 | Very low | 41.5 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | -70.2 | 140.6 | 160.1 | 30.9 | -33 | 0 | 0 | 0 | 110.2 | | |
| 572 | P | 42.6 | Very low | 41.1 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -72.4 | 168.4 | 168 | 31 | -33.3 | 0 | 0 | 0 | 111.2 | | |
| 573 | W | 33.8 | Very low | 39.7 | Very low | 226 Ų | 226 | 133.9 Ų | 133.9 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | | | trans | 74.9 | 87.3 | 177.3 | -46.4 | 96.8 | 0 | 0 | 0 | 116.4 | L754 | W573-L754 HydrophobicContact CH2-CD1 4.5Š|
| 574 | N | 32 | Very low | 38.8 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | | | trans | -148.3 | 123.7 | 140.3 | -150.1 | 1.5 | 0 | 0 | 0 | 109.2 | | |
| 575 | P | 40.9 | Very low | 37.8 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | | | trans | -91.3 | 128.9 | -177.3 | 33.6 | -30.8 | 0 | 0 | 0 | 111.6 | | |
| 576 | C | 26.3 | Very low | 37.5 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 89% | 0.885 | 76% | 0.762 | S | S | * | * | | | trans | -136.2 | 133 | 163.7 | -165.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 577 | S | 30.3 | Very low | 36.6 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | -95.8 | 136.6 | 176.7 | 50.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 578 | E | 27.1 | Very low | 35.7 | Very low | 175 Ų | 175 | 133.1 Ų | 133.1 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | | 179.6 | 151 | 115.2 | -101.6 | -174.5 | 165 | 0 | 0 | 114.8 | | |
| 579 | S | 27.8 | Very low | 34.4 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | | | trans | 72.3 | 153 | 143.4 | -69.4 | 0 | 0 | 0 | 0 | 123.4 | | |
| 580 | Y | 25.9 | Very low | 34.4 | Very low | 224 Ų | 224 | 137 Ų | 137 | 88% | 0.878 | 77% | 0.774 | S | S | * | * | | | trans | 77.7 | 91.8 | 162.7 | -105.1 | -91.6 | 0 | 0 | 0 | 122.2 | | |
| 581 | V | 31.9 | Very low | 33.4 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | | | trans | -105.4 | 156.9 | 147.4 | 166.5 | 0 | 0 | 0 | 0 | 106.2 | | |
| 582 | P | 50.2 | Low | 32.7 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | | | cis | -131 | 178.8 | -0.5 | 37.4 | -19.9 | 0 | 0 | 0 | 116.2 | | |
| 583 | S | 25.8 | Very low | 32 | Very low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | trans | -164.9 | 129.5 | 131.7 | -86.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 584 | R | 29.2 | Very low | 32.3 | Very low | 234 Ų | 234 | 134 Ų | 134 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | | | | 62.1 | 126.2 | 81 | -88.1 | -173.8 | 179.1 | -161.3 | 0.7 | 111.9 | | |
| 585 | S | 32.5 | Very low | 32 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | | | cis | -167 | -175.3 | 34.1 | -82.1 | 0 | 0 | 0 | 0 | 111 | | |
| 586 | P | 43.7 | Very low | 31.4 | Very low | 124 Ų | 124 | 132 Ų | 132 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | | | cis | -132.5 | 175.8 | -31.6 | 31.7 | -11.5 | 0 | 0 | 0 | 115.6 | | |
| 587 | V | 28.4 | Very low | 31.4 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | | | trans | -61.3 | 151 | 174.3 | 166.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 588 | S | 30.7 | Very low | 31.3 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | trans | -160.4 | 142.1 | 136.1 | -79.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 589 | H | 27.1 | Very low | 31.4 | Very low | 168 Ų | 168 | 131 Ų | 131 | 78% | 0.778 | 76% | 0.76 | S | S | * | * | | | trans | -125.1 | -167.4 | 173.2 | -51 | -104.3 | 0 | 0 | 0 | 108 | | |
| 590 | P | 42.3 | Very low | 31.5 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | | | cis | -131.7 | -171.1 | -17.7 | 30.5 | -7.3 | 0 | 0 | 0 | 113.6 | | |
| 591 | S | 27.2 | Very low | 31.6 | Very low | 78 Ų | 78 | 129.6 Ų | 129.6 | 55% | 0.545 | 75% | 0.75 | S | S | . | * | | | trans | 36.7 | 134.8 | 145.7 | 56.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 592 | H | 30.5 | Very low | 31.5 | Very low | 179 Ų | 179 | 132.5 Ų | 132.5 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | | | | -166.3 | 158.5 | 66.3 | -84.9 | -82.4 | 0 | 0 | 0 | 112.6 | | |
| 593 | S | 29.6 | Very low | 30.5 | Very low | 107 Ų | 107 | 133 Ų | 133 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | trans | -92.4 | 156.5 | 162.6 | 56.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 594 | P | 38.5 | Very low | 30.8 | Very low | 120 Ų | 120 | 134 Ų | 134 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | | | | -143.5 | 173.4 | 100.3 | 39.8 | -26.7 | 0 | 0 | 0 | 116.3 | | |
| 595 | I | 26.9 | Very low | 30.7 | Very low | 166 Ų | 166 | 129 Ų | 129 | 85% | 0.851 | 72% | 0.724 | S | S | * | * | | | trans | -51.8 | 144.6 | 170.6 | -65.8 | 112.4 | 0 | 0 | 0 | 113.8 | | |
| 596 | G | 27.8 | Very low | 30.5 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 72% | 0.722 | S | S | * | * | | | trans | -163.1 | 139.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 597 | L | 25.8 | Very low | 29.7 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 87% | 0.869 | 71% | 0.713 | S | S | * | * | | | trans | -104.8 | 172.7 | -170.8 | -69.5 | 164.5 | 0 | 0 | 0 | 113.2 | | |
| 598 | H | 29.5 | Very low | 29.6 | Very low | 166 Ų | 166 | 135 Ų | 135 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | | | trans | 73.4 | 154.4 | 162.4 | -131.8 | 84.8 | 0 | 0 | 0 | 115.8 | Q600 | H598-Q600 PolarHBondContact NE2-NE2 2.97Š|
| 599 | G | 28.4 | Very low | 29.4 | Very low | 56 Ų | 56 | 135.1 Ų | 135.1 | 58% | 0.577 | 71% | 0.713 | S | S | * | * | | | cis | 152.3 | 157 | -12.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 600 | Q | 29.9 | Very low | 29.4 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 66% | 0.664 | 72% | 0.718 | S | S | * | * | | | trans | 76.5 | 131.4 | 177.5 | -46.8 | -45.4 | -20.2 | 0 | 0 | 116 | H598 | H598-Q600 PolarHBondContact NE2-NE2 2.97Š|
| 601 | H | 27.7 | Very low | 29.3 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | | | | 71.7 | 135.6 | 72.5 | -101.7 | -91.3 | 0 | 0 | 0 | 111.6 | | |
| 602 | Y | 29.3 | Very low | 29.4 | Very low | 190 Ų | 190 | 142.9 Ų | 142.9 | 75% | 0.745 | 73% | 0.731 | S | S | * | * | | | cis | -126.4 | 164.4 | 26.1 | -116.8 | -136 | 0 | 0 | 0 | 111.8 | | |
| 603 | L | 29.4 | Very low | 29.3 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 60% | 0.597 | 73% | 0.726 | S | S | * | * | | | | 59.2 | 149.9 | 77.5 | -112.1 | 83.2 | 0 | 0 | 0 | 114.2 | | |
| 604 | Q | 31.8 | Very low | 29.1 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 60% | 0.598 | 73% | 0.728 | S | S | * | * | | | cis | -167.7 | 148.9 | 6.3 | -178.2 | 60 | -14.6 | 0 | 0 | 111.2 | | |
| 605 | Q | 27.1 | Very low | 28.5 | Very low | 131 Ų | 131 | 143.6 Ų | 143.6 | 61% | 0.612 | 73% | 0.733 | S | S | * | * | | | trans | 53.5 | 138.4 | 157.7 | -73.4 | 171.7 | -74.3 | 0 | 0 | 120.9 | | |
| 606 | Q | 29.1 | Very low | 28.6 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | | | | 62.1 | 148.7 | 93.3 | -52.1 | -177.4 | -72.7 | 0 | 0 | 115.2 | | |
| 607 | D | 26.3 | Very low | 28.6 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 60% | 0.604 | 72% | 0.724 | S | S | * | * | | | cis | -159.6 | 178.1 | 10.6 | -140.6 | -14.5 | 0 | 0 | 0 | 114.9 | | |
| 608 | W | 25.9 | Very low | 28.8 | Very low | 207 Ų | 207 | 147.1 Ų | 147.1 | 78% | 0.784 | 73% | 0.727 | S | S | * | * | | | trans | 69.6 | 150.8 | 147.9 | -85.1 | 109.6 | 0 | 0 | 0 | 125.2 | | |
| 609 | T | 28.1 | Very low | 28.8 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | | | trans | 74.1 | 114.1 | 151.7 | 39.8 | 0 | 0 | 0 | 0 | 122.4 | | |
| 610 | R | 26.1 | Very low | 29.1 | Very low | 234 Ų | 234 | 145 Ų | 145 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | | | trans | -82.1 | 162.5 | 148.1 | -144.8 | -174.3 | -175.4 | 174.6 | 1.9 | 108.6 | | |
| 611 | P | 40.7 | Very low | 29.1 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | | | | -148.6 | -148.8 | 86.5 | 41.2 | -22.1 | 0 | 0 | 0 | 114.9 | | |
| 612 | Q | 28.8 | Very low | 29.4 | Very low | 173 Ų | 173 | 144.1 Ų | 144.1 | 81% | 0.808 | 73% | 0.727 | S | S | * | * | | | trans | -60 | 176.1 | -171.1 | -69.4 | 151.7 | -80.2 | 0 | 0 | 116.3 | | |
| 613 | Q | 27.8 | Very low | 29.4 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | | | cis | 144.8 | 142.2 | -17.1 | -153.7 | -171.6 | 22.7 | 0 | 0 | 108.6 | | |
| 614 | M | 26.8 | Very low | 29.6 | Very low | 162 Ų | 162 | 143.6 Ų | 143.6 | 80% | 0.798 | 74% | 0.735 | S | S | * | * | | | trans | 85.4 | 155.4 | 163.8 | -57.6 | -160.3 | 174.4 | 0 | 0 | 120.6 | | |
| 615 | A | 26 | Very low | 29.4 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 87% | 0.868 | 74% | 0.739 | S | S | * | * | | | trans | 60.8 | 140.2 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 616 | G | 27.6 | Very low | 29.4 | Very low | 62 Ų | 62 | 140.3 Ų | 140.3 | 64% | 0.639 | 75% | 0.746 | S | S | * | * | | | cis | 112.5 | 133.1 | 6.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 617 | H | 29.3 | Very low | 29.4 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | | | cis | -155.8 | -179.3 | 6.1 | -83.6 | -112.7 | 0 | 0 | 0 | 109.2 | | |
| 618 | W | 29.7 | Very low | 29.5 | Very low | 247 Ų | 247 | 143.8 Ų | 143.8 | 94% | 0.936 | 76% | 0.763 | S | S | * | * | | | trans | 72.7 | 153.5 | 163.6 | -55.2 | 104.1 | 0 | 0 | 0 | 116.6 | | |
| 619 | A | 29.2 | Very low | 29.5 | Very low | 77 Ų | 77 | 140.5 Ų | 140.5 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | | | cis | -160.4 | 178.2 | -9.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 620 | S | 33.8 | Very low | 30.4 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | 80.9 | 143.7 | 154.8 | -69.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 621 | D | 30.2 | Very low | 30.5 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | | | cis | -155.8 | 159.2 | -9 | -119.1 | -45.5 | 0 | 0 | 0 | 115.1 | | |
| 622 | Q | 35 | Very low | 30.1 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | | | trans | 19.4 | 166.3 | 153 | -72.9 | 168.2 | 82.5 | 0 | 0 | 123 | | |
| 623 | T | 29.1 | Very low | 30.1 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | | | cis | -154.2 | 138.2 | 29.1 | -43.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 624 | E | 33.1 | Very low | 30.1 | Very low | 186 Ų | 186 | 134.7 Ų | 134.7 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | | | trans | 41.8 | 159.8 | 153.8 | -62.5 | -170.1 | 115 | 0 | 0 | 123 | | |
| 625 | A | 27.1 | Very low | 30.1 | Very low | 82 Ų | 82 | 133.5 Ų | 133.5 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | cis | -148.8 | 156.5 | 12.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 626 | S | 28.1 | Very low | 31 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | trans | 52 | 133.9 | 138.4 | -147.3 | 0 | 0 | 0 | 0 | 121.8 | | |
| 627 | L | 28.9 | Very low | 31 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | | | cis | -166.7 | 176.4 | -10.1 | -118.4 | 178.9 | 0 | 0 | 0 | 110.3 | | |
| 628 | Q | 28.7 | Very low | 30.9 | Very low | 180 Ų | 180 | 135.4 Ų | 135.4 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | | | trans | 74.9 | 95.9 | 165.5 | -66.4 | -178.7 | 33.5 | 0 | 0 | 120.7 | | |
| 629 | T | 24.7 | Very low | 30.9 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | | | trans | -90.4 | -172.5 | 145.5 | 23.5 | 0 | 0 | 0 | 0 | 110 | | |
| 630 | P | 47.8 | Very low | 31.1 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | cis | -125.4 | -153.5 | -2.3 | 35.1 | -10.8 | 0 | 0 | 0 | 110.9 | | |
| 631 | A | 27.9 | Very low | 30.9 | Very low | 72 Ų | 72 | 133.5 Ų | 133.5 | 60% | 0.595 | 76% | 0.759 | S | S | * | * | | | cis | -159.5 | 148.9 | 5.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 632 | N | 33 | Very low | 30.9 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | | | | 47.5 | 152.3 | 127.9 | -61.1 | -18.9 | 0 | 0 | 0 | 123.3 | | |
| 633 | A | 27.7 | Very low | 30.5 | Very low | 81 Ų | 81 | 135.6 Ų | 135.6 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | | | cis | -177 | -179.8 | -19.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 634 | R | 28.4 | Very low | 30.5 | Very low | 244 Ų | 244 | 137.7 Ų | 137.7 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | | | trans | 87.6 | 107.7 | 157.6 | -62.3 | -179.4 | 176.9 | 143.6 | -0.1 | 120.4 | | |
| 635 | V | 27.4 | Very low | 30.3 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | | | trans | -71.5 | -176.3 | 141.4 | -114.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 636 | P | 44.8 | Very low | 31.2 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | | | cis | -146.8 | -162.7 | 25.8 | 29 | 0.1 | 0 | 0 | 0 | 117 | | |
| 637 | V | 27.3 | Very low | 31.1 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | 77.9 | 152 | 158.3 | -170.8 | 0 | 0 | 0 | 0 | 117 | | |
| 638 | N | 26.7 | Very low | 31.2 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | cis | -174.6 | 159.5 | -42 | -177.1 | 26.5 | 0 | 0 | 0 | 108.7 | | |
| 639 | S | 30.6 | Very low | 31.6 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | | | trans | 71.8 | 128.5 | 159.1 | -73.2 | 0 | 0 | 0 | 0 | 122.1 | | |
| 640 | S | 32.1 | Very low | 31.6 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | | | | 48.4 | 142.8 | 126.4 | -48.1 | 0 | 0 | 0 | 0 | 120.5 | | |
| 641 | Q | 30.7 | Very low | 30.6 | Very low | 191 Ų | 191 | 140.8 Ų | 140.8 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | | | cis | -161.1 | -174 | 34.5 | -159.6 | 165.6 | -0.1 | 0 | 0 | 111.5 | | |
| 642 | L | 29.5 | Very low | 30.9 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | | | trans | -87.7 | 155.8 | 176 | -61.9 | 163 | 0 | 0 | 0 | 112 | | |
| 643 | H | 27.7 | Very low | 30.8 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | | 160.7 | 146.8 | 99.2 | -146.4 | 46.6 | 0 | 0 | 0 | 115.7 | | |
| 644 | L | 28 | Very low | 30.8 | Very low | 151 Ų | 151 | 147.3 Ų | 147.3 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | 68.4 | 178.9 | 155.2 | -83.1 | 175.5 | 0 | 0 | 0 | 124 | | |
| 645 | H | 28.8 | Very low | 31.6 | Very low | 178 Ų | 178 | 141.2 Ų | 141.2 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | | | trans | -131.4 | -177.8 | -149.9 | -132.3 | -134.4 | 0 | 0 | 0 | 110.6 | | |
| 646 | P | 46.8 | Very low | 31.6 | Very low | 104 Ų | 104 | 139 Ų | 139 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | | | trans | -129 | -174.4 | -135.8 | 44.5 | -28.6 | 0 | 0 | 0 | 117.6 | | |
| 647 | T | 26.6 | Very low | 30.7 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | trans | -152.9 | 162 | 176.5 | 47.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 648 | T | 30.6 | Very low | 30.6 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | | | cis | -169.8 | 152.3 | -25.2 | 34.5 | 0 | 0 | 0 | 0 | 111 | | |
| 649 | N | 35.8 | Very low | 31.8 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | | | trans | 76.3 | 164.4 | 148.9 | -60.1 | -10.5 | 0 | 0 | 0 | 123.3 | | |
| 650 | S | 25.1 | Very low | 31.7 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | 71.8 | 132.3 | 174.7 | -68.5 | 0 | 0 | 0 | 0 | 119.2 | | |
| 651 | W | 27.9 | Very low | 31.4 | Very low | 244 Ų | 244 | 142.6 Ų | 142.6 | 92% | 0.924 | 78% | 0.779 | S | S | * | * | | | cis | 95 | 126.7 | 25.9 | -169.1 | -64.4 | 0 | 0 | 0 | 112.8 | | |
| 652 | S | 33.7 | Very low | 31.4 | Very low | 84 Ų | 84 | 141.5 Ų | 141.5 | 59% | 0.587 | 77% | 0.771 | S | S | * | * | | | cis | -167.5 | -161.2 | -15.4 | 67 | 0 | 0 | 0 | 0 | 111.1 | | |
| 653 | Q | 30 | Very low | 31.3 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | | | trans | 97.1 | 151.5 | 162.3 | -50 | -146.3 | 95.1 | 0 | 0 | 121.6 | | |
| 654 | Q | 29 | Very low | 31.5 | Very low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | | | trans | -122.1 | -177.3 | 168.3 | -62.5 | -168.7 | -35.6 | 0 | 0 | 109.5 | | |
| 655 | P | 44.1 | Very low | 31.4 | Very low | 116 Ų | 116 | 140 Ų | 140 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | | | | -157.3 | 148.6 | 87.3 | 41.7 | -21.7 | 0 | 0 | 0 | 119.6 | | |
| 656 | S | 27.8 | Very low | 31.3 | Very low | 90 Ų | 90 | 139.2 Ų | 139.2 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | | | trans | 55.6 | 152.1 | 132.6 | 72.8 | 0 | 0 | 0 | 0 | 127.4 | | |
| 657 | L | 26.4 | Very low | 30.3 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 90% | 0.901 | 76% | 0.762 | S | S | * | * | | | trans | 103.4 | 159.1 | 151.1 | -59.6 | -178.4 | 0 | 0 | 0 | 122.2 | | |
| 658 | S | 25.7 | Very low | 30.9 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | trans | -156.1 | -167.5 | -171 | 64.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 659 | P | 51.7 | Low | 30.9 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | | | cis | -138.7 | -168 | -8.9 | 42.8 | -23.1 | 0 | 0 | 0 | 116.7 | | |
| 660 | A | 28.4 | Very low | 31 | Very low | 94 Ų | 94 | 141.9 Ų | 141.9 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | | | trans | 74.9 | 174.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 661 | E | 25.7 | Very low | 31.2 | Very low | 157 Ų | 157 | 143.4 Ų | 143.4 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | | | cis | -161.5 | 173.3 | 3.4 | -151.1 | -177 | -143.5 | 0 | 0 | 113.7 | | |
| 662 | K | 29.1 | Very low | 31 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 73% | 0.73 | 76% | 0.757 | S | S | * | * | | | trans | 73.6 | 133.2 | 162.5 | -55.9 | 176 | -164.5 | -177.1 | 0 | 119.9 | | |
| 663 | S | 29.3 | Very low | 30.6 | Very low | 79 Ų | 79 | 142 Ų | 142 | 55% | 0.552 | 77% | 0.767 | S | S | * | * | | | cis | 89.3 | 144.4 | 16 | 86 | 0 | 0 | 0 | 0 | 116.9 | | |
| 664 | Y | 31.5 | Very low | 30.7 | Very low | 209 Ų | 209 | 138.4 Ų | 138.4 | 82% | 0.82 | 76% | 0.762 | S | S | * | * | | | cis | -133.8 | 162.4 | 15.4 | -74.6 | -85 | 0 | 0 | 0 | 113.6 | | |
| 665 | L | 25.1 | Very low | 31.3 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | | | | 171.4 | 161.3 | 92.9 | -85.6 | 174.5 | 0 | 0 | 0 | 109.1 | | |
| 666 | Q | 27.2 | Very low | 30.6 | Very low | 161 Ų | 161 | 139.4 Ų | 139.4 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | | | cis | -155.5 | -130.9 | -15.5 | -158.7 | 175.3 | -4.7 | 0 | 0 | 110.7 | | |
| 667 | T | 25.2 | Very low | 30.6 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | trans | -156.3 | 162.3 | -165.2 | 44.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 668 | P | 40.6 | Very low | 30.6 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | | | cis | -142.4 | -166.8 | 35.7 | 42 | -20.1 | 0 | 0 | 0 | 118.7 | | |
| 669 | K | 30 | Very low | 31.2 | Very low | 198 Ų | 198 | 144.5 Ų | 144.5 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | | | trans | -119.1 | -167.5 | -179.8 | -65.3 | -175.5 | 176.2 | -179.6 | 0 | 109.4 | | |
| 670 | P | 37.6 | Very low | 30.9 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | | | cis | -146.8 | -175.3 | 6.5 | 46.4 | -26 | 0 | 0 | 0 | 118.8 | | |
| 671 | L | 28.3 | Very low | 31 | Very low | 149 Ų | 149 | 145.5 Ų | 145.5 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | | | trans | 45.5 | 155.6 | 141.7 | -70.6 | 164 | 0 | 0 | 0 | 121.6 | | |
| 672 | E | 25.7 | Very low | 31.2 | Very low | 168 Ų | 168 | 149.6 Ų | 149.6 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | cis | -168.8 | 174.4 | -16.5 | -165.5 | 175.6 | -134.3 | 0 | 0 | 108.1 | | |
| 673 | V | 24.7 | Very low | 31.5 | Very low | 130 Ų | 130 | 145.7 Ų | 145.7 | 79% | 0.788 | 76% | 0.76 | S | S | * | * | | | trans | 159.6 | 149.2 | 140.3 | 156.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 674 | S | 31.5 | Very low | 31.6 | Very low | 110 Ų | 110 | 148.2 Ų | 148.2 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | -148.1 | 149 | 169.1 | -67.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 675 | P | 41.4 | Very low | 31.7 | Very low | 122 Ų | 122 | 145 Ų | 145 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | | | | -145.6 | 158.2 | 110.8 | 37.7 | -23.5 | 0 | 0 | 0 | 113.4 | | |
| 676 | K | 30.6 | Very low | 32.1 | Very low | 192 Ų | 192 | 146.7 Ų | 146.7 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | cis | 96 | 91.7 | 11.1 | -161.1 | 173.1 | -173.1 | 174.1 | 0 | 117.3 | | |
| 677 | L | 27.6 | Very low | 32.6 | Very low | 148 Ų | 148 | 144 Ų | 144 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | | | trans | -170.8 | 152.6 | 153.8 | -122.9 | 72.2 | 0 | 0 | 0 | 107 | | |
| 678 | R | 25.6 | Very low | 33 | Very low | 207 Ų | 207 | 142.6 Ų | 142.6 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | | | cis | -150.6 | 153.7 | -7.2 | -172.1 | 173.7 | -91.2 | 153.9 | -9.3 | 108.5 | | |
| 679 | V | 38.5 | Very low | 33.2 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | | | trans | -127.3 | 143.4 | 170.1 | -179.7 | 0 | 0 | 0 | 0 | 108.5 | D681 | V679-D681 HydrophobicContact CG1-CB 4.1Š|
| 680 | P | 44.5 | Very low | 33.9 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | | -130.1 | 127.5 | 118.9 | 35 | -26 | 0 | 0 | 0 | 109.6 | | |
| 681 | D | 31.5 | Very low | 34.4 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | | | cis | 67.6 | 99.7 | 48.8 | -159.6 | -5.4 | 0 | 0 | 0 | 113.8 | V679 S683 | V679-D681 HydrophobicContact CG1-CB 4.1Å; D681-S683 WeakPolarHBondContact OD1-CB 3.28Å; D681-S683 PolarHBondContact OD1-N 3.45Å; D681-S683 PolarHBondContact OD1-OG 2.77Å |
| 682 | R | 29.5 | Very low | 35.5 | Very low | 243 Ų | 243 | 137.3 Ų | 137.3 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | | | trans | -136.6 | 76.8 | 140.3 | -163.3 | 176.8 | -148.2 | -143.4 | 3.6 | 110.2 | | |
| 683 | S | 34.9 | Very low | 37.2 | Very low | 86 Ų | 86 | 136.4 Ų | 136.4 | 60% | 0.601 | 77% | 0.77 | S | S | * | * | | | trans | -56.3 | 139.7 | 165.8 | 42 | 0 | 0 | 0 | 0 | 112.9 | D681 | D681-S683 WeakPolarHBondContact OD1-CB 3.28Å; D681-S683 PolarHBondContact OD1-N 3.45Å; D681-S683 PolarHBondContact OD1-OG 2.77Å |
| 684 | V | 32.8 | Very low | 39.5 | Very low | 132 Ų | 132 | 135 Ų | 135 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | | | trans | -137.3 | 141.5 | 142.7 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 685 | N | 33.3 | Very low | 42 | Very low | 140 Ų | 140 | 132 Ų | 132 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | | | trans | -60.1 | 164 | 179.9 | -56.5 | -70.5 | 0 | 0 | 0 | 111.6 | | |
| 686 | Q | 32.7 | Very low | 44.1 | Very low | 189 Ų | 189 | 135 Ų | 135 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | | | cis | -149.5 | 154.6 | 44.9 | -69.9 | 172.3 | 80.4 | 0 | 0 | 114.5 | | |
| 687 | A | 37.8 | Very low | 46.8 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | | | trans | -78.2 | 146.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 688 | A | 34.3 | Very low | 49.8 | Very low | 93 Ų | 93 | 122.7 Ų | 122.7 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | | | trans | -131.8 | 138.8 | 155.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | G690 | A688-G690 PolarHBondContact O-N 2.91Š|
| 689 | D | 45 | Very low | 52.6 | Low | 163 Ų | 163 | 120.9 Ų | 120.9 | 87% | 0.872 | 72% | 0.718 | S | S | * | * | | | trans | -61.5 | 104.4 | -178.2 | -83.7 | -65.4 | 0 | 0 | 0 | 110.7 | T691 | D689-T691 PolarHBondContact O-N 2.89Š|
| 690 | G | 43.8 | Very low | 55.1 | Low | 68 Ų | 68 | 121 Ų | 121 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | | | trans | -64.7 | 80.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | A688 T692 | A688-G690 PolarHBondContact O-N 2.91Å; G690-T692 PolarHBondContact O-N 3.21Å |
| 691 | T | 47.6 | Very low | 57.3 | Low | 104 Ų | 104 | 121.4 Ų | 121.4 | 64% | 0.638 | 70% | 0.704 | S | S | * | * | | | trans | -41.1 | 114.3 | -178.5 | -71.8 | 0 | 0 | 0 | 0 | 108.2 | D689 M693 | D689-T691 PolarHBondContact O-N 2.89Å; T691-M693 HydrophobicContact CG2-CE 4.03Å; T691-M693 PolarHBondContact O-N 3.4Å |
| 692 | T | 51.2 | Low | 60 | Low | 129 Ų | 129 | 118.8 Ų | 118.8 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | | | trans | -71.4 | 85.4 | -171.8 | 39.5 | 0 | 0 | 0 | 0 | 109 | G690 A694 | G690-T692 PolarHBondContact O-N 3.21Å; T692-A694 VanDerWaalsContact C-N 3.28Å; T692-A694 WeakPolarHBondContact O-CB 3.37Å; T692-A694 PolarHBondContact O-N 3.34Å |
| 693 | M | 61.3 | Low | 62.9 | Low | 148 Ų | 148 | 114.8 Ų | 114.8 | 73% | 0.729 | 69% | 0.687 | S | S | * | * | | | trans | -60.1 | 91.8 | -179.7 | -77 | -72.1 | 170.8 | 0 | 0 | 108.3 | T691 A698 | T691-M693 HydrophobicContact CG2-CE 4.03Å; T691-M693 PolarHBondContact O-N 3.4Å; M693-A698 HydrophobicContact CB-CB 3.65Å; M693-A698 WeakPolarHBondContact O-CB 3.47Å |
| 694 | A | 73.8 | Confident | 65.5 | Low | 100 Ų | 100 | 119.5 Ų | 119.5 | 83% | 0.826 | 69% | 0.692 | S | S | * | * | | | trans | -101.8 | 109.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | T692 | T692-A694 VanDerWaalsContact C-N 3.28Å; T692-A694 WeakPolarHBondContact O-CB 3.37Å; T692-A694 PolarHBondContact O-N 3.34Å |
| 695 | G | 84.1 | Confident | 68.1 | Low | 47 Ų | 47 | 115.7 Ų | 115.7 | 49% | 0.485 | 67% | 0.665 | S | S | . | * | S | Bend | trans | 157.8 | -178.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A698 K699 | G695-A698 PolarHBondContact O-N 2.96Å; G695-K699 PolarHBondContact O-N 3.29Å |
| 696 | K | 84.5 | Confident | 70.6 | Confident | 187 Ų | 187 | 112.1 Ų | 112.1 | 81% | 0.813 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.9 | -40.1 | -178.2 | -63.7 | 175.3 | -176.1 | 172.6 | 0 | 111.8 | K699 L700 | K696-K699 PolarHBondContact O-N 3.04Å; K696-L700 WeakPolarHBondContact O-CG 3.41Å; K696-L700 PolarHBondContact O-N 3.38Å |
| 697 | G | 89.1 | Confident | 73.2 | Confident | 55 Ų | 55 | 111.6 Ų | 111.6 | 57% | 0.567 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -60.5 | -49 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K699 L700 F701 | G697-K699 PolarHBondContact O-N 3.19Å; G697-L700 CarbonylContact O-C 3.6Å; G697-L700 WeakPolarHBondContact O-CA 3.36Å; G697-L700 WeakPolarHBondContact O-CB 3.3Å; G697-L700 PolarHBondContact O-N 2.93Å; G697-L700 VanDerWaalsContact O-N 3.09Å; G697-F701 PolarHBondContact O-N 3.06Å |
| 698 | A | 90.4 | Very high | 75.3 | Confident | 26 Ų | 26 | 111.4 Ų | 111.4 | 22% | 0.215 | 62% | 0.623 | C | S | . | * | H | α-helix | trans | -64.4 | -39.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | M693 G695 L700 F701 A702 | M693-A698 HydrophobicContact CB-CB 3.65Å; M693-A698 WeakPolarHBondContact O-CB 3.47Å; G695-A698 PolarHBondContact O-N 2.96Å; A698-L700 PolarHBondContact O-N 3.48Å; A698-F701 PolarHBondContact O-N 2.71Å; A698-F701 VanDerWaalsContact O-N 3.12Å; A698-A702 PolarHBondContact O-N 2.72Å |
| 699 | K | 84.4 | Confident | 77.3 | Confident | 169 Ų | 169 | 112.7 Ų | 112.7 | 74% | 0.735 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.6 | -28.8 | 172.8 | -171.6 | 165.5 | -174.4 | 166.4 | 0 | 112.7 | G695 K696 G697 K703 | G695-K699 PolarHBondContact O-N 3.29Å; K696-K699 PolarHBondContact O-N 3.04Å; G697-K699 PolarHBondContact O-N 3.19Å; K699-K703 WeakPolarHBondContact O-CB 3.46Å; K699-K703 PolarHBondContact O-N 3.47Å |
| 700 | L | 90.9 | Very high | 78.8 | Confident | 125 Ų | 125 | 112.7 Ų | 112.7 | 65% | 0.654 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -77.5 | -34.4 | 170.7 | -69.9 | 169.8 | 0 | 0 | 0 | 112.2 | K696 G697 A698 K703 R704 | K696-L700 WeakPolarHBondContact O-CG 3.41Å; K696-L700 PolarHBondContact O-N 3.38Å; G697-L700 CarbonylContact O-C 3.6Å; G697-L700 WeakPolarHBondContact O-CA 3.36Å; G697-L700 WeakPolarHBondContact O-CB 3.3Å; G697-L700 PolarHBondContact O-N 2.93Å; G697-L700 VanDerWaalsContact O-N 3.09Å; A698-L700 PolarHBondContact O-N 3.48Å; L700-K703 CarbonylContact O-C 3.53Å; L700-K703 PolarHBondContact O-N 3.36Å; L700-R704 WeakPolarHBondContact O-CB 3.08Å; L700-R704 PolarHBondContact O-N 2.94Å |
| 701 | F | 89.5 | Confident | 80.1 | Confident | 127 Ų | 127 | 116.6 Ų | 116.6 | 56% | 0.557 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.8 | -53.9 | 174.1 | -175.9 | -96.3 | 0 | 0 | 0 | 111.3 | G697 A698 K703 R704 Q705 | G697-F701 PolarHBondContact O-N 3.06Å; A698-F701 PolarHBondContact O-N 2.71Å; A698-F701 VanDerWaalsContact O-N 3.12Å; F701-K703 PolarHBondContact O-N 3.26Å; F701-R704 CarbonylContact O-C 3.53Å; F701-R704 WeakPolarHBondContact O-CA 3.01Å; F701-R704 WeakPolarHBondContact O-CB 3.27Å; F701-R704 PolarHBondContact O-N 3.17Å; F701-Q705 HydrophobicContact CD1-CG 4.01Å; F701-Q705 HydrophobicContact CE1-CG 3.73Å; F701-Q705 HydrophobicContact CZ-CG 4.08Å; F701-Q705 WeakPolarHBondContact O-CG 3.2Å; F701-Q705 PolarHBondContact O-N 3.03Å |
| 702 | A | 89.1 | Confident | 81.5 | Confident | 60 Ų | 60 | 115.4 Ų | 115.4 | 50% | 0.496 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -57.7 | -34.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A698 S706 | A698-A702 PolarHBondContact O-N 2.72Å; A702-S706 WeakPolarHBondContact O-CB 3.39Å; A702-S706 PolarHBondContact O-N 2.89Å |
| 703 | K | 89.8 | Confident | 82.4 | Confident | 159 Ų | 159 | 114.8 Ų | 114.8 | 69% | 0.691 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -78 | -17.7 | 173.7 | -168.8 | 165.1 | -177.2 | 174 | 0 | 113.9 | K699 L700 F701 R707 | K699-K703 WeakPolarHBondContact O-CB 3.46Å; K699-K703 PolarHBondContact O-N 3.47Å; L700-K703 CarbonylContact O-C 3.53Å; L700-K703 PolarHBondContact O-N 3.36Å; F701-K703 PolarHBondContact O-N 3.26Å; K703-R707 VanDerWaalsContact O-CB 3.3Å; K703-R707 WeakPolarHBondContact O-CB 3.39Å; K703-R707 PolarHBondContact O-N 3.21Å |
| 704 | R | 91 | Very high | 82.5 | Confident | 185 Ų | 185 | 112.9 Ų | 112.9 | 70% | 0.698 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -78.2 | -47.6 | 168 | -179.1 | -175.9 | -76.1 | -126.8 | 3.4 | 109.8 | L700 F701 R707 M708 | L700-R704 WeakPolarHBondContact O-CB 3.08Å; L700-R704 PolarHBondContact O-N 2.94Å; F701-R704 CarbonylContact O-C 3.53Å; F701-R704 WeakPolarHBondContact O-CA 3.01Å; F701-R704 WeakPolarHBondContact O-CB 3.27Å; F701-R704 PolarHBondContact O-N 3.17Å; R704-R707 WeakPolarHBondContact O-CB 3.44Å; R704-R707 PolarHBondContact O-N 2.75Å; R704-R707 VanDerWaalsContact O-N 3.11Å; R704-M708 WeakPolarHBondContact O-CB 2.98Å; R704-M708 PolarHBondContact O-N 3.28Å |
| 705 | Q | 87.3 | Confident | 81.6 | Confident | 52 Ų | 52 | 111 Ų | 111 | 24% | 0.243 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -59 | -54.3 | 175.2 | -59.9 | -57.7 | -11.5 | 0 | 0 | 110.7 | F701 R707 M708 E709 | F701-Q705 HydrophobicContact CD1-CG 4.01Å; F701-Q705 HydrophobicContact CE1-CG 3.73Å; F701-Q705 HydrophobicContact CZ-CG 4.08Å; F701-Q705 WeakPolarHBondContact O-CG 3.2Å; F701-Q705 PolarHBondContact O-N 3.03Å; Q705-R707 PolarHBondContact O-N 3Å; Q705-M708 CarbonylContact O-C 3.57Å; Q705-M708 WeakPolarHBondContact O-CA 3.32Å; Q705-M708 WeakPolarHBondContact O-CB 3.43Å; Q705-M708 PolarHBondContact O-N 2.87Å; Q705-E709 VanDerWaalsContact C-CD 3.46Å; Q705-E709 VanDerWaalsContact CB-OE1 3.27Å; Q705-E709 WeakPolarHBondContact CB-OE1 3.24Å; Q705-E709 WeakPolarHBondContact O-CB 3.37Å; Q705-E709 VanDerWaalsContact O-CG 3.28Å; Q705-E709 WeakPolarHBondContact O-CG 3.45Å; Q705-E709 PolarHBondContact O-N 2.87Å |
| 706 | S | 85.8 | Confident | 80.3 | Confident | 64 Ų | 64 | 117.4 Ų | 117.4 | 45% | 0.448 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.9 | -12.3 | 174.8 | -173 | 0 | 0 | 0 | 0 | 115.2 | A702 E709 K710 | A702-S706 WeakPolarHBondContact O-CB 3.39Å; A702-S706 PolarHBondContact O-N 2.89Å; S706-E709 VanDerWaalsContact CA-OE2 3.31Å; S706-E709 WeakPolarHBondContact CA-OE2 3.21Å; S706-E709 PolarHBondContact N-OE1 2.92Å; S706-K710 WeakPolarHBondContact O-CG 3.36Å |
| 707 | R | 85.5 | Confident | 78.9 | Confident | 178 Ų | 178 | 112.8 Ų | 112.8 | 67% | 0.672 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -86.2 | -33.1 | 166.2 | -179.4 | 174.9 | 178.4 | -93.2 | 0.9 | 111.9 | K703 R704 Q705 F711 | K703-R707 VanDerWaalsContact O-CB 3.3Å; K703-R707 WeakPolarHBondContact O-CB 3.39Å; K703-R707 PolarHBondContact O-N 3.21Å; R704-R707 WeakPolarHBondContact O-CB 3.44Å; R704-R707 PolarHBondContact O-N 2.75Å; R704-R707 VanDerWaalsContact O-N 3.11Å; Q705-R707 PolarHBondContact O-N 3Å; R707-F711 HydrophobicContact CG-CE2 4.1Å; R707-F711 WeakPolarHBondContact O-CD2 3.42Å; R707-F711 VanDerWaalsContact O-CE2 3.27Å; R707-F711 WeakPolarHBondContact O-CE2 3.36Å |
| 708 | M | 82.7 | Confident | 77.2 | Confident | 100 Ų | 100 | 114.9 Ų | 114.9 | 49% | 0.493 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -77.5 | -45.4 | 179.8 | -166 | 172.6 | 81 | 0 | 0 | 111.7 | R704 Q705 K710 F711 V712 | R704-M708 WeakPolarHBondContact O-CB 2.98Å; R704-M708 PolarHBondContact O-N 3.28Å; Q705-M708 CarbonylContact O-C 3.57Å; Q705-M708 WeakPolarHBondContact O-CA 3.32Å; Q705-M708 WeakPolarHBondContact O-CB 3.43Å; Q705-M708 PolarHBondContact O-N 2.87Å; M708-K710 PolarHBondContact O-N 3.09Å; M708-F711 CarbonylContact O-C 3.55Å; M708-F711 PolarHBondContact O-N 3.48Å; M708-V712 HydrophobicContact CG-CG2 4.24Å; M708-V712 PolarHBondContact O-N 2.97Å |
| 709 | E | 77.4 | Confident | 75 | Confident | 120 Ų | 120 | 121.9 Ų | 121.9 | 56% | 0.561 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | -19.7 | 170.8 | -68.4 | 155.8 | -151.4 | 0 | 0 | 113.6 | Q705 S706 | Q705-E709 VanDerWaalsContact C-CD 3.46Å; Q705-E709 VanDerWaalsContact CB-OE1 3.27Å; Q705-E709 WeakPolarHBondContact CB-OE1 3.24Å; Q705-E709 WeakPolarHBondContact O-CB 3.37Å; Q705-E709 VanDerWaalsContact O-CG 3.28Å; Q705-E709 WeakPolarHBondContact O-CG 3.45Å; Q705-E709 PolarHBondContact O-N 2.87Å; S706-E709 VanDerWaalsContact CA-OE2 3.31Å; S706-E709 WeakPolarHBondContact CA-OE2 3.21Å; S706-E709 PolarHBondContact N-OE1 2.92Å |
| 710 | K | 74.8 | Confident | 73.1 | Confident | 164 Ų | 164 | 117.4 Ų | 117.4 | 71% | 0.713 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -1.3 | 175.6 | -72.8 | -169.2 | 64.5 | 163.7 | 0 | 114.7 | S706 M708 | S706-K710 WeakPolarHBondContact O-CG 3.36Å; M708-K710 PolarHBondContact O-N 3.09Å |
| 711 | F | 72 | Confident | 71.1 | Confident | 150 Ų | 150 | 119.5 Ų | 119.5 | 66% | 0.658 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.7 | -20.9 | 177.9 | -57.1 | -61.5 | 0 | 0 | 0 | 112.9 | R707 M708 I713 | R707-F711 HydrophobicContact CG-CE2 4.1Å; R707-F711 WeakPolarHBondContact O-CD2 3.42Å; R707-F711 VanDerWaalsContact O-CE2 3.27Å; R707-F711 WeakPolarHBondContact O-CE2 3.36Å; M708-F711 CarbonylContact O-C 3.55Å; M708-F711 PolarHBondContact O-N 3.48Å; F711-I713 PolarHBondContact O-N 3.26Å |
| 712 | V | 77.8 | Confident | 68.9 | Low | 78 Ų | 78 | 123 Ų | 123 | 47% | 0.473 | 63% | 0.626 | S | S | . | * | | | trans | -63 | 128 | 157.1 | 178.7 | 0 | 0 | 0 | 0 | 107.7 | M708 | M708-V712 HydrophobicContact CG-CG2 4.24Å; M708-V712 PolarHBondContact O-N 2.97Å |
| 713 | I | 69.1 | Low | 66.8 | Low | 116 Ų | 116 | 127.2 Ų | 127.2 | 60% | 0.595 | 65% | 0.646 | S | S | * | * | | | trans | -121.1 | 107.7 | 174.4 | -61.5 | 176 | 0 | 0 | 0 | 105.3 | F711 T717 V718 | F711-I713 PolarHBondContact O-N 3.26Å; I713-T717 WeakPolarHBondContact CG2-OG1 3.37Å; I713-V718 HydrophobicContact CG2-CG2 3.84Å |
| 714 | D | 63.9 | Low | 64.8 | Low | 108 Ų | 108 | 130.9 Ų | 130.9 | 58% | 0.578 | 66% | 0.655 | S | S | * | * | | | trans | -65.3 | 136.3 | 179.8 | -61.6 | -46.6 | 0 | 0 | 0 | 110.1 | E716 T717 | D714-E716 PolarHBondContact O-N 2.82Å; D714-E716 VanDerWaalsContact O-N 3.1Å; D714-T717 HydrophobicContact CB-CG2 4.48Å; D714-T717 WeakPolarHBondContact O-CB 3.46Å; D714-T717 PolarHBondContact O-N 2.9Å; D714-T717 PolarHBondContact O-OG1 2.83Å |
| 715 | G | 55.4 | Low | 62.7 | Low | 60 Ų | 60 | 126.7 Ų | 126.7 | 62% | 0.619 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -56.8 | -31.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | T717 V718 | G715-T717 VanDerWaalsContact C-N 3.27Å; G715-T717 PolarHBondContact O-N 2.87Å; G715-V718 WeakPolarHBondContact O-CB 3.46Å; G715-V718 PolarHBondContact O-N 2.84Å |
| 716 | E | 55.6 | Low | 60.8 | Low | 182 Ų | 182 | 130.1 Ų | 130.1 | 85% | 0.85 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -63.2 | -32.3 | 175.4 | -64.1 | -170.8 | 119.9 | 0 | 0 | 112.7 | D714 V718 Q719 | D714-E716 PolarHBondContact O-N 2.82Å; D714-E716 VanDerWaalsContact O-N 3.1Å; E716-V718 PolarHBondContact O-N 3.18Å; E716-Q719 PolarHBondContact O-N 2.78Å |
| 717 | T | 55.7 | Low | 58.7 | Low | 90 Ų | 90 | 131.3 Ų | 131.3 | 55% | 0.552 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -73.8 | -10.8 | -179.7 | 69.4 | 0 | 0 | 0 | 0 | 113.7 | I713 D714 G715 | I713-T717 WeakPolarHBondContact CG2-OG1 3.37Å; D714-T717 HydrophobicContact CB-CG2 4.48Å; D714-T717 WeakPolarHBondContact O-CB 3.46Å; D714-T717 PolarHBondContact O-N 2.9Å; D714-T717 PolarHBondContact O-OG1 2.83Å; G715-T717 VanDerWaalsContact C-N 3.27Å; G715-T717 PolarHBondContact O-N 2.87Å |
| 718 | V | 52.9 | Low | 57 | Low | 100 Ų | 100 | 129.2 Ų | 129.2 | 61% | 0.606 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -79.1 | -25.5 | 179.3 | -174.8 | 0 | 0 | 0 | 0 | 111.7 | I713 G715 E716 A720 | I713-V718 HydrophobicContact CG2-CG2 3.84Å; G715-V718 WeakPolarHBondContact O-CB 3.46Å; G715-V718 PolarHBondContact O-N 2.84Å; E716-V718 PolarHBondContact O-N 3.18Å; V718-A720 PolarHBondContact O-N 2.7Å |
| 719 | Q | 45.2 | Very low | 55.3 | Low | 172 Ų | 172 | 129.7 Ų | 129.7 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -81.2 | 38 | -178 | -77.9 | -73.3 | 19.4 | 0 | 0 | 114.3 | E716 | E716-Q719 PolarHBondContact O-N 2.78Š|
| 720 | A | 43 | Very low | 54 | Low | 75 Ų | 75 | 129.2 Ų | 129.2 | 62% | 0.62 | 72% | 0.717 | S | S | * | * | | | trans | -137.2 | 88.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | V718 K722 | V718-A720 PolarHBondContact O-N 2.7Å; A720-K722 PolarHBondContact O-N 3.48Å |
| 721 | N | 50.6 | Low | 52.8 | Low | 169 Ų | 169 | 125.8 Ų | 125.8 | 90% | 0.904 | 71% | 0.714 | S | S | * | * | | | trans | -58.8 | 101.2 | 177.2 | -84.7 | -57.9 | 0 | 0 | 0 | 112.3 | | |
| 722 | K | 43 | Very low | 52.4 | Low | 200 Ų | 200 | 123 Ų | 123 | 87% | 0.87 | 71% | 0.706 | S | S | * | * | | | trans | -143.3 | 128 | 166.3 | -111.7 | 162.1 | -177 | 163.4 | 0 | 109.7 | A720 R724 | A720-K722 PolarHBondContact O-N 3.48Å; K722-R724 PolarHBondContact O-N 3.11Å; K722-R724 VanDerWaalsContact O-N 3.16Å |
| 723 | T | 44.1 | Very low | 51.6 | Low | 149 Ų | 149 | 123 Ų | 123 | 91% | 0.914 | 71% | 0.707 | S | S | * | * | | | trans | -61.6 | 115.8 | -173.8 | 29.5 | 0 | 0 | 0 | 0 | 111.5 | S725 | T723-S725 PolarHBondContact O-N 2.83Š|
| 724 | R | 47.4 | Very low | 50.7 | Low | 236 Ų | 236 | 124.1 Ų | 124.1 | 89% | 0.891 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 121.3 | 179 | -167.7 | -176.1 | -164 | -178.1 | 8.7 | 109.8 | K722 | K722-R724 PolarHBondContact O-N 3.11Å; K722-R724 VanDerWaalsContact O-N 3.16Å |
| 725 | S | 47.9 | Very low | 50.3 | Low | 98 Ų | 98 | 124 Ų | 124 | 69% | 0.685 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 138.4 | 173.2 | 54.7 | 0 | 0 | 0 | 0 | 110.7 | T723 S727 | T723-S725 PolarHBondContact O-N 2.83Å; S725-S727 PolarHBondContact O-N 2.88Å |
| 726 | P | 47.9 | Very low | 50.1 | Low | 123 Ų | 123 | 130 Ų | 130 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 137.9 | 178.3 | 26 | -34.3 | 0 | 0 | 0 | 110.7 | | |
| 727 | S | 41.7 | Very low | 49.9 | Very low | 90 Ų | 90 | 128.7 Ų | 128.7 | 63% | 0.629 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -61 | 143.9 | -179.2 | 51.6 | 0 | 0 | 0 | 0 | 111.9 | S725 T729 | S725-S727 PolarHBondContact O-N 2.88Å; S727-T729 VanDerWaalsContact C-N 3.26Å; S727-T729 PolarHBondContact O-N 2.94Å; S727-T729 PolarHBondContact O-OG1 2.88Å |
| 728 | P | 48.5 | Very low | 49.3 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 87% | 0.87 | 73% | 0.731 | S | S | * | * | | | trans | -69.8 | 82.3 | 178.2 | 30.2 | -35.8 | 0 | 0 | 0 | 110.8 | S730 | P728-S730 PolarHBondContact O-N 3.27Š|
| 729 | T | 46.4 | Very low | 49 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | | | trans | -69 | 114.8 | 178 | -53.7 | 0 | 0 | 0 | 0 | 108.4 | S727 S731 | S727-T729 VanDerWaalsContact C-N 3.26Å; S727-T729 PolarHBondContact O-N 2.94Å; S727-T729 PolarHBondContact O-OG1 2.88Å; T729-S731 PolarHBondContact O-N 3.37Å |
| 730 | S | 50.2 | Low | 49.2 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | | | trans | -73.1 | 80.5 | 174.2 | -169.3 | 0 | 0 | 0 | 0 | 110 | P728 L732 | P728-S730 PolarHBondContact O-N 3.27Å; S730-L732 PolarHBondContact O-N 3.24Å; S730-L732 VanDerWaalsContact O-N 3.09Å |
| 731 | S | 50.2 | Low | 49.6 | Very low | 92 Ų | 92 | 136 Ų | 136 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | | | trans | -70.2 | 98 | 167 | 40.3 | 0 | 0 | 0 | 0 | 109.1 | T729 | T729-S731 PolarHBondContact O-N 3.37Š|
| 732 | L | 64.6 | Low | 49.3 | Very low | 93 Ų | 93 | 134 Ų | 134 | 49% | 0.487 | 73% | 0.728 | S | S | . | * | | | trans | -47 | 137.2 | 162.4 | -68.7 | 172.4 | 0 | 0 | 0 | 109.4 | S730 W736 | S730-L732 PolarHBondContact O-N 3.24Å; S730-L732 VanDerWaalsContact O-N 3.09Å; L732-W736 HydrophobicContact CB-CB 4.5Å |
| 733 | P | 61.1 | Low | 49.9 | Very low | 76 Ų | 76 | 136.6 Ų | 136.6 | 49% | 0.494 | 73% | 0.732 | S | S | . | * | | | trans | -57.1 | 147.6 | -175.4 | 24.5 | -34.7 | 0 | 0 | 0 | 110.9 | S735 W736 | P733-S735 PolarHBondContact O-N 2.88Å; P733-W736 HydrophobicContact CG-CG 4.41Å; P733-W736 PolarHBondContact O-N 3.45Å |
| 734 | N | 49.3 | Very low | 50.5 | Low | 141 Ų | 141 | 132.3 Ų | 132.3 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -61.9 | -21 | -165.8 | -149.9 | 22.3 | 0 | 0 | 0 | 113.8 | W736 R737 | N734-W736 PolarHBondContact O-N 3.1Å; N734-R737 PolarHBondContact O-N 3.16Å |
| 735 | S | 55.8 | Low | 50.9 | Low | 106 Ų | 106 | 126.4 Ų | 126.4 | 74% | 0.741 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -66.9 | -14 | 172 | 50.6 | 0 | 0 | 0 | 0 | 115 | P733 | P733-S735 PolarHBondContact O-N 2.88Š|
| 736 | W | 50.5 | Low | 51.6 | Low | 186 Ų | 186 | 125.4 Ų | 125.4 | 71% | 0.705 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -96.6 | 5.1 | 176.2 | -74.8 | 49.4 | 0 | 0 | 0 | 112.7 | L732 P733 N734 Y738 | L732-W736 HydrophobicContact CB-CB 4.5Å; P733-W736 HydrophobicContact CG-CG 4.41Å; P733-W736 PolarHBondContact O-N 3.45Å; N734-W736 PolarHBondContact O-N 3.1Å; W736-Y738 PolarHBondContact O-N 3.29Å |
| 737 | R | 51.7 | Low | 52.7 | Low | 154 Ų | 154 | 123.8 Ų | 123.8 | 58% | 0.581 | 68% | 0.684 | S | S | * | * | | | trans | -94 | 92.1 | 175 | -63.2 | -67.4 | 175.9 | 145.8 | -3.5 | 110.3 | N734 S739 | N734-R737 PolarHBondContact O-N 3.16Å; R737-S739 PolarHBondContact O-N 2.92Å |
| 738 | Y | 44.4 | Very low | 53.4 | Low | 236 Ų | 236 | 128.7 Ų | 128.7 | 93% | 0.925 | 70% | 0.703 | S | S | * | * | | | trans | -63.1 | 117.2 | 161.7 | -83 | -82.7 | 0 | 0 | 0 | 109.4 | W736 S740 | W736-Y738 PolarHBondContact O-N 3.29Å; Y738-S740 PolarHBondContact O-N 2.98Å |
| 739 | S | 45.8 | Very low | 54.2 | Low | 80 Ų | 80 | 127.4 Ų | 127.4 | 56% | 0.559 | 70% | 0.697 | S | S | * | * | | | trans | -71.1 | 105.6 | 177 | 41 | 0 | 0 | 0 | 0 | 110.8 | R737 N741 | R737-S739 PolarHBondContact O-N 2.92Å; S739-N741 PolarHBondContact O-N 3.31Å |
| 740 | S | 50 | Low | 54.9 | Low | 106 Ų | 106 | 128 Ų | 128 | 74% | 0.741 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | 121.3 | 170.1 | 52.9 | 0 | 0 | 0 | 0 | 110.2 | Y738 | Y738-S740 PolarHBondContact O-N 2.98Š|
| 741 | N | 50.2 | Low | 55.7 | Low | 169 Ų | 169 | 126.4 Ų | 126.4 | 90% | 0.904 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.8 | 18.8 | 170 | -53.6 | -10.7 | 0 | 0 | 0 | 118.2 | S739 | S739-N741 PolarHBondContact O-N 3.31Š|
| 742 | I | 44.4 | Very low | 56.3 | Low | 127 Ų | 127 | 125.9 Ų | 125.9 | 65% | 0.651 | 66% | 0.664 | S | S | * | * | | | trans | -115.8 | 111.8 | 156.7 | -57.4 | -179.7 | 0 | 0 | 0 | 108.8 | A744 | I742-A744 PolarHBondContact O-N 3.2Š|
| 743 | R | 55.8 | Low | 56 | Low | 253 Ų | 253 | 128.7 Ų | 128.7 | 96% | 0.955 | 68% | 0.679 | S | S | * | * | | | trans | -76.1 | 72.9 | 169.9 | -168.6 | -174.3 | -169.7 | -164.5 | 3.1 | 108.9 | | |
| 744 | A | 56.1 | Low | 55.6 | Low | 59 Ų | 59 | 130.8 Ų | 130.8 | 49% | 0.488 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -52.8 | 144.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | I742 | I742-A744 PolarHBondContact O-N 3.2Š|
| 745 | P | 55.6 | Low | 56.2 | Low | 112 Ų | 112 | 126.3 Ų | 126.3 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 144 | 167.2 | 26.7 | -33.8 | 0 | 0 | 0 | 108.5 | | |
| 746 | P | 63.9 | Low | 56.2 | Low | 78 Ų | 78 | 127.4 Ų | 127.4 | 51% | 0.506 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 149.3 | 174.1 | 29.2 | -35.5 | 0 | 0 | 0 | 109.1 | Y750 | P746-Y750 HydrophobicContact CB-CD1 3.81Å; P746-Y750 HydrophobicContact CB-CD2 4.16Å; P746-Y750 HydrophobicContact CB-CE1 4.48Å; P746-Y750 HydrophobicContact CB-CG 3.63Å; P746-Y750 HydrophobicContact CG-CD1 3.89Å; P746-Y750 HydrophobicContact CG-CG 4.21Å |
| 747 | P | 69.7 | Low | 56.3 | Low | 88 Ų | 88 | 127.4 Ų | 127.4 | 57% | 0.571 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 152 | -176.3 | 25 | -35.1 | 0 | 0 | 0 | 110.7 | S749 Y750 | P747-S749 PolarHBondContact O-N 3.37Å; P747-Y750 WeakPolarHBondContact O-CB 3.44Å; P747-Y750 PolarHBondContact O-N 2.67Å |
| 748 | L | 57.4 | Low | 55.9 | Low | 194 Ų | 194 | 128.9 Ų | 128.9 | 100% | 1.016 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -13.3 | -175.6 | -68.4 | 167.9 | 0 | 0 | 0 | 114.4 | | |
| 749 | S | 65.3 | Low | 56 | Low | 106 Ų | 106 | 121.6 Ų | 121.6 | 74% | 0.741 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -1 | 171.4 | 53.2 | 0 | 0 | 0 | 0 | 114.9 | P747 N751 | P747-S749 PolarHBondContact O-N 3.37Å; S749-N751 PolarHBondContact O-N 3.38Å |
| 750 | Y | 60.6 | Low | 56.2 | Low | 124 Ų | 124 | 122.8 Ų | 122.8 | 49% | 0.486 | 67% | 0.67 | S | S | . | * | | | trans | -75.2 | 93.5 | -179.7 | -176.6 | -96 | 0 | 0 | 0 | 111.1 | P746 P747 P752 | P746-Y750 HydrophobicContact CB-CD1 3.81Å; P746-Y750 HydrophobicContact CB-CD2 4.16Å; P746-Y750 HydrophobicContact CB-CE1 4.48Å; P746-Y750 HydrophobicContact CB-CG 3.63Å; P746-Y750 HydrophobicContact CG-CD1 3.89Å; P746-Y750 HydrophobicContact CG-CG 4.21Å; P747-Y750 WeakPolarHBondContact O-CB 3.44Å; P747-Y750 PolarHBondContact O-N 2.67Å; Y750-P752 HydrophobicContact CE1-CB 4.06Å; Y750-P752 VanDerWaalsContact O-CD 3.28Å; Y750-P752 WeakPolarHBondContact O-CD 3.3Å |
| 751 | N | 67.3 | Low | 55.7 | Low | 75 Ų | 75 | 123.4 Ų | 123.4 | 40% | 0.401 | 67% | 0.674 | S | S | . | * | | | trans | -79.7 | 110.3 | 168.6 | -175.9 | -12.3 | 0 | 0 | 0 | 109.7 | S749 L753 L754 | S749-N751 PolarHBondContact O-N 3.38Å; N751-L753 PolarHBondContact O-N 3.1Å; N751-L753 VanDerWaalsContact OD1-CB 3.31Å; N751-L753 WeakPolarHBondContact OD1-CB 3.34Å; N751-L753 PolarHBondContact OD1-N 3.33Å; N751-L754 HydrophobicContact CB-CB 4.39Å; N751-L754 HydrophobicContact CB-CD1 4.37Å; N751-L754 HydrophobicContact CB-CG 4.42Å; N751-L754 PolarHBondContact O-N 3.23Å; N751-L754 VanDerWaalsContact O-N 3.09Å |
| 752 | P | 62.7 | Low | 55.5 | Low | 80 Ų | 80 | 118.5 Ų | 118.5 | 52% | 0.519 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -63.8 | -25 | -178.1 | 27.1 | -35.2 | 0 | 0 | 0 | 112.9 | Y750 L754 S755 | Y750-P752 HydrophobicContact CE1-CB 4.06Å; Y750-P752 VanDerWaalsContact O-CD 3.28Å; Y750-P752 WeakPolarHBondContact O-CD 3.3Å; P752-L754 PolarHBondContact O-N 3.38Å; P752-S755 WeakPolarHBondContact O-CB 3.29Å; P752-S755 PolarHBondContact O-N 3.38Å; P752-S755 PolarHBondContact O-OG 3.33Å |
| 753 | L | 58.4 | Low | 55.2 | Low | 153 Ų | 153 | 116.2 Ų | 116.2 | 80% | 0.801 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -72.5 | -16.8 | 178.4 | -52.5 | 177.5 | 0 | 0 | 0 | 113 | N751 | N751-L753 PolarHBondContact O-N 3.1Å; N751-L753 VanDerWaalsContact OD1-CB 3.31Å; N751-L753 WeakPolarHBondContact OD1-CB 3.34Å; N751-L753 PolarHBondContact OD1-N 3.33Å |
| 754 | L | 52.7 | Low | 54.4 | Low | 119 Ų | 119 | 114 Ų | 114 | 62% | 0.623 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -108.2 | 12 | 175.7 | -60.6 | 179.1 | 0 | 0 | 0 | 112.4 | W573 N751 P752 | W573-L754 HydrophobicContact CH2-CD1 4.5Å; N751-L754 HydrophobicContact CB-CB 4.39Å; N751-L754 HydrophobicContact CB-CD1 4.37Å; N751-L754 HydrophobicContact CB-CG 4.42Å; N751-L754 PolarHBondContact O-N 3.23Å; N751-L754 VanDerWaalsContact O-N 3.09Å; P752-L754 PolarHBondContact O-N 3.38Å |
| 755 | S | 61.9 | Low | 53.4 | Low | 47 Ų | 47 | 119.7 Ų | 119.7 | 33% | 0.329 | 67% | 0.671 | S | S | . | * | S | Bend | trans | -61.4 | 138.8 | 169.4 | 61.5 | 0 | 0 | 0 | 0 | 109.9 | P752 F757 | P752-S755 WeakPolarHBondContact O-CB 3.29Å; P752-S755 PolarHBondContact O-N 3.38Å; P752-S755 PolarHBondContact O-OG 3.33Å; S755-F757 PolarHBondContact O-N 3.11Å |
| 756 | P | 55.5 | Low | 52.7 | Low | 130 Ų | 130 | 120 Ų | 120 | 84% | 0.844 | 67% | 0.673 | S | S | * | * | | | trans | -63.4 | 108.5 | -175.5 | 24 | -33.2 | 0 | 0 | 0 | 110.1 | Y758 | P756-Y758 PolarHBondContact O-N 3.42Š|
| 757 | F | 52.3 | Low | 51.4 | Low | 186 Ų | 186 | 122.2 Ų | 122.2 | 82% | 0.816 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 127.2 | -168.9 | -141 | -92.2 | 0 | 0 | 0 | 111.1 | S755 | S755-F757 PolarHBondContact O-N 3.11Š|
| 758 | Y | 43.7 | Very low | 49.7 | Very low | 184 Ų | 184 | 123.8 Ų | 123.8 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 126 | -179.7 | -153.4 | -88.1 | 0 | 0 | 0 | 109.2 | P756 A762 | P756-Y758 PolarHBondContact O-N 3.42Å; Y758-A762 HydrophobicContact CD1-CB 4.43Å; Y758-A762 HydrophobicContact CE1-CB 3.8Å |
| 759 | P | 47.5 | Very low | 48.8 | Very low | 83 Ų | 83 | 121 Ų | 121 | 54% | 0.539 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 128.9 | -175.3 | 23.4 | -32.7 | 0 | 0 | 0 | 110.4 | S761 | P759-S761 PolarHBondContact O-N 3.34Š|
| 760 | P | 49 | Very low | 47.2 | Very low | 106 Ų | 106 | 121.4 Ų | 121.4 | 69% | 0.688 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -58.6 | -14.7 | -174.5 | -29.4 | 36.5 | 0 | 0 | 0 | 115.9 | A762 A763 | P760-A762 PolarHBondContact O-N 3.35Å; P760-A763 WeakPolarHBondContact O-CB 3.43Å; P760-A763 PolarHBondContact O-N 3.05Å |
| 761 | S | 40.8 | Very low | 46.1 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -59.6 | -7.3 | -178.6 | -45.2 | 0 | 0 | 0 | 0 | 115.8 | P759 | P759-S761 PolarHBondContact O-N 3.34Š|
| 762 | A | 44.7 | Very low | 44.6 | Very low | 66 Ų | 66 | 127.6 Ų | 127.6 | 55% | 0.545 | 73% | 0.734 | S | S | . | * | G | 310 helix | trans | -84.6 | -13.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y758 P760 K764 | Y758-A762 HydrophobicContact CD1-CB 4.43Å; Y758-A762 HydrophobicContact CE1-CB 3.8Å; P760-A762 PolarHBondContact O-N 3.35Å; A762-K764 PolarHBondContact O-N 3.31Å; A762-K764 VanDerWaalsContact O-N 3.15Å |
| 763 | A | 39.4 | Very low | 43.2 | Very low | 80 Ų | 80 | 130.6 Ų | 130.6 | 66% | 0.661 | 75% | 0.751 | S | S | * | * | | | trans | -80 | 92.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P760 Q765 | P760-A763 WeakPolarHBondContact O-CB 3.43Å; P760-A763 PolarHBondContact O-N 3.05Å; A763-Q765 PolarHBondContact O-N 3.18Å |
| 764 | K | 37.2 | Very low | 42 | Very low | 205 Ų | 205 | 132.5 Ų | 132.5 | 89% | 0.891 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 117.6 | 170.5 | -76.7 | -166.4 | 173.3 | -171.3 | 0 | 110.5 | A762 | A762-K764 PolarHBondContact O-N 3.31Å; A762-K764 VanDerWaalsContact O-N 3.15Å |
| 765 | Q | 35.5 | Very low | 41.3 | Very low | 180 Ų | 180 | 133 Ų | 133 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 145.8 | 166.7 | -64.2 | 178.9 | -73.4 | 0 | 0 | 110.7 | A763 | A763-Q765 PolarHBondContact O-N 3.18Š|
| 766 | P | 41.9 | Very low | 39.8 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 143.3 | 161 | 31.1 | -33.2 | 0 | 0 | 0 | 109.9 | | |
| 767 | P | 36.8 | Very low | 38.8 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 143.9 | 174.1 | 29.6 | -34.1 | 0 | 0 | 0 | 111.1 | | |
| 768 | S | 33.8 | Very low | 37.9 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | | | trans | -103.7 | 110.8 | 177.8 | -177.4 | 0 | 0 | 0 | 0 | 111 | | |
| 769 | T | 37.1 | Very low | 37.4 | Very low | 136 Ų | 136 | 140 Ų | 140 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | | | trans | -144.7 | 131 | 166.6 | 47 | 0 | 0 | 0 | 0 | 108.8 | | |
| 770 | S | 32.1 | Very low | 36.7 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | | | trans | -99.3 | 169.1 | -179 | 62 | 0 | 0 | 0 | 0 | 112 | | |
| 771 | P | 37.5 | Very low | 36.1 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | | | | -141.3 | -176.1 | 93.9 | 37.8 | -22.8 | 0 | 0 | 0 | 114.9 | | |
| 772 | K | 35.2 | Very low | 35.9 | Very low | 201 Ų | 201 | 149.4 Ų | 149.4 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | trans | -86.2 | 138.7 | -176.8 | -59.4 | 166.6 | 179.4 | 168.1 | 0 | 112.9 | | |
| 773 | T | 33.4 | Very low | 35.5 | Very low | 143 Ų | 143 | 151.6 Ų | 151.6 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | | | trans | -145.7 | 159.5 | 142.5 | 44.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 774 | K | 33.2 | Very low | 35.3 | Very low | 192 Ų | 192 | 153.6 Ų | 153.6 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | | | trans | -119.8 | 156.9 | 166.8 | -66.7 | 178.9 | 178.6 | 170.6 | 0 | 107.5 | | |
| 775 | P | 38.9 | Very low | 35.5 | Very low | 131 Ų | 131 | 149.7 Ų | 149.7 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | | | | -134.5 | -176.8 | 93.2 | 32.5 | -18.3 | 0 | 0 | 0 | 113.4 | | |
| 776 | K | 30.7 | Very low | 36 | Very low | 197 Ų | 197 | 150.4 Ų | 150.4 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | | | trans | -110.9 | 146 | 174.7 | -74.2 | -173 | 176.6 | -177.2 | 0 | 111.1 | | |
| 777 | S | 33.3 | Very low | 36.4 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | | | trans | -133.9 | 167 | 137.2 | 64.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 778 | K | 35.2 | Very low | 37.6 | Very low | 201 Ų | 201 | 154.2 Ų | 154.2 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | | | trans | -107.2 | 140.8 | 177.9 | -67.3 | 177.8 | 179.2 | 175.7 | 0 | 109.3 | | |
| 779 | E | 31.3 | Very low | 39.1 | Very low | 173 Ų | 173 | 152.6 Ų | 152.6 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | | | trans | -151.6 | -175.4 | 133.1 | -122 | -159.2 | 134.1 | 0 | 0 | 113.6 | | |
| 780 | K | 34.6 | Very low | 40.2 | Very low | 171 Ų | 171 | 149.1 Ų | 149.1 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | | | trans | -77 | 150.4 | -155.2 | -66.6 | 166.7 | -177.3 | 161 | 0 | 114.6 | | |
| 781 | P | 34.6 | Very low | 41.8 | Very low | 129 Ų | 129 | 148.9 Ų | 148.9 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | trans | -68 | 134 | 168.8 | 29.9 | -34.1 | 0 | 0 | 0 | 111.1 | | |
| 782 | K | 36.6 | Very low | 43 | Very low | 204 Ų | 204 | 146.7 Ų | 146.7 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | | | trans | -107.5 | 153.5 | 160.6 | -84.8 | -177.9 | 174.4 | 177.2 | 0 | 109.6 | | |
| 783 | S | 36.5 | Very low | 44.4 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 146 | -169.2 | 49.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 784 | T | 37 | Very low | 45.8 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 140.1 | 161.9 | 42.9 | 0 | 0 | 0 | 0 | 110.6 | K786 | T784-K786 PolarHBondContact O-N 3.21Š|
| 785 | P | 39.8 | Very low | 47.3 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 133 | 167.5 | 28.5 | -32.8 | 0 | 0 | 0 | 108.6 | Q787 | P785-Q787 PolarHBondContact O-N 3.31Š|
| 786 | K | 47.2 | Very low | 48.5 | Very low | 194 Ų | 194 | 142.5 Ų | 142.5 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 120.2 | 173.6 | -68.7 | -179.8 | 179.8 | 178.1 | 0 | 108.5 | T784 L788 | T784-K786 PolarHBondContact O-N 3.21Å; K786-L788 PolarHBondContact O-N 3.08Å |
| 787 | Q | 50 | Low | 50.1 | Low | 190 Ų | 190 | 140.9 Ų | 140.9 | 89% | 0.888 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 116.8 | 167.6 | -178.6 | 176.7 | -1.9 | 0 | 0 | 108.1 | P785 | P785-Q787 PolarHBondContact O-N 3.31Š|
| 788 | L | 61.1 | Low | 51.5 | Low | 133 Ų | 133 | 139.2 Ų | 139.2 | 70% | 0.696 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 141 | 177.7 | -66.9 | 176.8 | 0 | 0 | 0 | 109.9 | K786 A790 I793 | K786-L788 PolarHBondContact O-N 3.08Å; L788-A790 PolarHBondContact O-N 3.28Å; L788-I793 HydrophobicContact CB-CD1 4.39Å |
| 789 | N | 65.1 | Low | 52.6 | Low | 87 Ų | 87 | 140.3 Ų | 140.3 | 47% | 0.465 | 71% | 0.714 | S | S | . | * | P | Polyproline II helix | trans | -70.7 | 131 | -179.8 | -173.6 | -9.7 | 0 | 0 | 0 | 109.4 | L791 D792 I793 | N789-L791 PolarHBondContact O-N 3.15Å; N789-L791 VanDerWaalsContact O-N 3.12Å; N789-L791 PolarHBondContact OD1-N 3.3Å; N789-D792 WeakPolarHBondContact CB-OD2 3.46Å; N789-D792 PolarHBondContact O-N 3.13Å; N789-I793 PolarHBondContact O-N 3.4Å |
| 790 | A | 60.8 | Low | 53.9 | Low | 63 Ų | 63 | 141 Ų | 141 | 52% | 0.521 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -57.6 | -29.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L788 I793 M794 | L788-A790 PolarHBondContact O-N 3.28Å; A790-I793 PolarHBondContact O-N 3.35Å; A790-M794 WeakPolarHBondContact O-CG 3.41Å; A790-M794 PolarHBondContact O-N 2.87Å; A790-M794 VanDerWaalsContact O-N 3.14Å |
| 791 | L | 66.4 | Low | 55.1 | Low | 109 Ų | 109 | 139 Ų | 139 | 57% | 0.571 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -71.3 | -25.9 | 176.8 | -63.8 | 178.3 | 0 | 0 | 0 | 113.8 | N789 K795 | N789-L791 PolarHBondContact O-N 3.15Å; N789-L791 VanDerWaalsContact O-N 3.12Å; N789-L791 PolarHBondContact OD1-N 3.3Å; L791-K795 WeakPolarHBondContact O-CD 3.14Å; L791-K795 VanDerWaalsContact O-CG 3.23Å; L791-K795 WeakPolarHBondContact O-CG 3.39Å; L791-K795 PolarHBondContact O-N 3.2Å |
| 792 | D | 63 | Low | 56.1 | Low | 82 Ų | 82 | 138.4 Ų | 138.4 | 44% | 0.439 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -75.8 | -42.1 | 174.5 | -63.7 | -33.6 | 0 | 0 | 0 | 110 | N789 M794 K795 H796 | N789-D792 WeakPolarHBondContact CB-OD2 3.46Å; N789-D792 PolarHBondContact O-N 3.13Å; D792-M794 PolarHBondContact O-N 3.15Å; D792-K795 WeakPolarHBondContact O-CB 3.44Å; D792-K795 PolarHBondContact O-N 2.64Å; D792-H796 PolarHBondContact O-CD2 3.28Å; D792-H796 VanDerWaalsContact O-CD2 3.25Å; D792-H796 PolarHBondContact O-N 3.34Å |
| 793 | I | 64.6 | Low | 56.8 | Low | 112 Ų | 112 | 133.5 Ų | 133.5 | 57% | 0.574 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -58.2 | -36.3 | 174.9 | -57 | 173.9 | 0 | 0 | 0 | 111 | L788 N789 A790 K795 | L788-I793 HydrophobicContact CB-CD1 4.39Å; N789-I793 PolarHBondContact O-N 3.4Å; A790-I793 PolarHBondContact O-N 3.35Å; I793-K795 VanDerWaalsContact C-N 3.33Å |
| 794 | M | 61.8 | Low | 58.1 | Low | 158 Ų | 158 | 132.5 Ų | 132.5 | 78% | 0.778 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -4.4 | 175.3 | -68.9 | -179 | 67.4 | 0 | 0 | 114.9 | A790 D792 | A790-M794 WeakPolarHBondContact O-CG 3.41Å; A790-M794 PolarHBondContact O-N 2.87Å; A790-M794 VanDerWaalsContact O-N 3.14Å; D792-M794 PolarHBondContact O-N 3.15Å |
| 795 | K | 64.7 | Low | 59.3 | Low | 157 Ų | 157 | 132.5 Ų | 132.5 | 68% | 0.683 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -21.1 | -179.7 | -86 | 171.4 | 171.3 | -69.4 | 0 | 114.2 | L791 D792 I793 | L791-K795 WeakPolarHBondContact O-CD 3.14Å; L791-K795 VanDerWaalsContact O-CG 3.23Å; L791-K795 WeakPolarHBondContact O-CG 3.39Å; L791-K795 PolarHBondContact O-N 3.2Å; D792-K795 WeakPolarHBondContact O-CB 3.44Å; D792-K795 PolarHBondContact O-N 2.64Å; I793-K795 VanDerWaalsContact C-N 3.33Å |
| 796 | H | 63.6 | Low | 60.6 | Low | 152 Ų | 152 | 133.7 Ų | 133.7 | 70% | 0.704 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -68.4 | 133.2 | 172 | -72.5 | -81.1 | 0 | 0 | 0 | 110.5 | D792 | D792-H796 PolarHBondContact O-CD2 3.28Å; D792-H796 VanDerWaalsContact O-CD2 3.25Å; D792-H796 PolarHBondContact O-N 3.34Å |
| 797 | Q | 65.8 | Low | 61 | Low | 163 Ų | 163 | 128.9 Ų | 128.9 | 76% | 0.762 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 145.8 | 170.1 | -65 | -61.2 | -64.7 | 0 | 0 | 109.5 | | |
| 798 | P | 62.6 | Low | 60.6 | Low | 88 Ų | 88 | 130.8 Ų | 130.8 | 57% | 0.571 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -65.3 | 153 | 170.4 | 31.1 | -35.3 | 0 | 0 | 0 | 110.2 | | |
| 799 | Y | 58.5 | Low | 59.8 | Low | 224 Ų | 224 | 131.4 Ų | 131.4 | 88% | 0.878 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 72.4 | 46.2 | 173.3 | -37.5 | -65 | 0 | 0 | 0 | 117.3 | | |
| 800 | Q | 56.7 | Low | 58.9 | Low | 186 Ų | 186 | 132.2 Ų | 132.2 | 87% | 0.869 | 69% | 0.686 | S | S | * | * | | | trans | -137.4 | 106.5 | 143.9 | -108.8 | 167.9 | -3.2 | 0 | 0 | 109.5 | | |
| 801 | L | 61.4 | Low | 57.6 | Low | 129 Ų | 129 | 133.5 Ų | 133.5 | 68% | 0.675 | 70% | 0.697 | S | S | * | * | | | trans | -98.9 | 126.8 | 162.1 | -69.7 | 175.4 | 0 | 0 | 0 | 106.6 | S803 F806 | L801-S803 PolarHBondContact O-N 3.22Å; L801-F806 HydrophobicContact CB-CE2 4.4Å; L801-F806 HydrophobicContact CD1-CE2 4.32Å; L801-F806 HydrophobicContact CD1-CZ 4.33Å |
| 802 | D | 54 | Low | 56.2 | Low | 118 Ų | 118 | 133.7 Ų | 133.7 | 63% | 0.631 | 71% | 0.707 | S | S | * | * | | | trans | -61.1 | 127.6 | 176 | -62.8 | -52.9 | 0 | 0 | 0 | 109.8 | S804 L805 | D802-S804 PolarHBondContact O-N 3.27Å; D802-S804 VanDerWaalsContact O-N 3.09Å; D802-L805 WeakPolarHBondContact O-CB 3.35Å; D802-L805 PolarHBondContact O-N 2.81Å |
| 803 | S | 53.1 | Low | 54.5 | Low | 101 Ų | 101 | 137.5 Ų | 137.5 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -60.6 | -20.7 | 178.1 | 46.1 | 0 | 0 | 0 | 0 | 113.1 | L801 L805 F806 | L801-S803 PolarHBondContact O-N 3.22Å; S803-L805 PolarHBondContact O-N 2.89Å; S803-F806 PolarHBondContact O-N 3.33Å |
| 804 | S | 61.9 | Low | 53.1 | Low | 91 Ų | 91 | 136.8 Ų | 136.8 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -55.7 | -23.5 | 167.7 | -175.7 | 0 | 0 | 0 | 0 | 114 | D802 F806 T807 | D802-S804 PolarHBondContact O-N 3.27Å; D802-S804 VanDerWaalsContact O-N 3.09Å; S804-F806 PolarHBondContact O-N 3.24Å; S804-T807 PolarHBondContact O-OG1 3.19Å; S804-T807 VanDerWaalsContact O-OG1 3.04Å |
| 805 | L | 64.1 | Low | 51.8 | Low | 122 Ų | 122 | 137.1 Ų | 137.1 | 64% | 0.639 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -74.7 | -7.7 | 174.2 | -66.7 | 172.5 | 0 | 0 | 0 | 113.8 | D802 S803 | D802-L805 WeakPolarHBondContact O-CB 3.35Å; D802-L805 PolarHBondContact O-N 2.81Å; S803-L805 PolarHBondContact O-N 2.89Å |
| 806 | F | 67.2 | Low | 50.3 | Low | 149 Ų | 149 | 135 Ų | 135 | 65% | 0.654 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -118.4 | -1.6 | -177.5 | -63.1 | -77.5 | 0 | 0 | 0 | 113.9 | L801 S803 S804 Y808 | L801-F806 HydrophobicContact CB-CE2 4.4Å; L801-F806 HydrophobicContact CD1-CE2 4.32Å; L801-F806 HydrophobicContact CD1-CZ 4.33Å; S803-F806 PolarHBondContact O-N 3.33Å; S804-F806 PolarHBondContact O-N 3.24Å; F806-Y808 PolarHBondContact O-N 2.97Å |
| 807 | T | 55 | Low | 49.1 | Very low | 92 Ų | 92 | 133.6 Ų | 133.6 | 56% | 0.564 | 74% | 0.74 | S | S | * | * | | | trans | -80.3 | 114.5 | 171.3 | 44.2 | 0 | 0 | 0 | 0 | 110.9 | S804 D809 | S804-T807 PolarHBondContact O-OG1 3.19Å; S804-T807 VanDerWaalsContact O-OG1 3.04Å; T807-D809 PolarHBondContact O-N 3.08Å |
| 808 | Y | 41.8 | Very low | 47.3 | Very low | 230 Ų | 230 | 130.4 Ų | 130.4 | 90% | 0.902 | 74% | 0.735 | S | S | * | * | | | trans | -77.1 | 101.5 | 169.7 | -96.1 | -99.3 | 0 | 0 | 0 | 110.3 | F806 A810 | F806-Y808 PolarHBondContact O-N 2.97Å; Y808-A810 PolarHBondContact O-N 3.32Å; Y808-A810 VanDerWaalsContact O-N 3.09Å |
| 809 | D | 43.5 | Very low | 46.2 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | | | trans | -67 | 103.9 | 166.2 | -84.8 | -35.8 | 0 | 0 | 0 | 110.3 | T807 A811 | T807-D809 PolarHBondContact O-N 3.08Å; D809-A811 PolarHBondContact O-N 3.02Å |
| 810 | A | 46.3 | Very low | 44.8 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 87% | 0.868 | 74% | 0.743 | S | S | * | * | | | trans | -76 | 57 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y808 S812 | Y808-A810 PolarHBondContact O-N 3.32Å; Y808-A810 VanDerWaalsContact O-N 3.09Å; A810-S812 PolarHBondContact O-N 3.23Å |
| 811 | A | 33.7 | Very low | 43.7 | Very low | 90 Ų | 90 | 127.5 Ų | 127.5 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | | | trans | -79.1 | 105.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D809 | D809-A811 PolarHBondContact O-N 3.02Š|
| 812 | S | 36.3 | Very low | 42 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | | | trans | -73.1 | 138.9 | 163 | 52.9 | 0 | 0 | 0 | 0 | 111.5 | A810 A814 | A810-S812 PolarHBondContact O-N 3.23Å; S812-A814 PolarHBondContact O-N 2.78Å |
| 813 | E | 28.6 | Very low | 41.4 | Very low | 162 Ų | 162 | 127 Ų | 127 | 76% | 0.757 | 75% | 0.75 | S | S | * | * | | | trans | -75.2 | 119.1 | -175.7 | -171.4 | -170.1 | 153.6 | 0 | 0 | 113.1 | K815 | E813-K815 WeakPolarHBondContact OE1-CE 3.5Å; E813-K815 IonicContact OE1-NZ 3.81Å; E813-K815 PolarHBondContact OE1-NZ 3.4Å |
| 814 | A | 35.2 | Very low | 40.1 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | | | trans | -141.7 | 155.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | S812 | S812-A814 PolarHBondContact O-N 2.78Š|
| 815 | K | 34.4 | Very low | 38.5 | Very low | 164 Ų | 164 | 129.9 Ų | 129.9 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | | | trans | -113.9 | 134.4 | -162.1 | -77.2 | 176.3 | 173.7 | 99.3 | 0 | 115.2 | E813 | E813-K815 WeakPolarHBondContact OE1-CE 3.5Å; E813-K815 IonicContact OE1-NZ 3.81Å; E813-K815 PolarHBondContact OE1-NZ 3.4Å |
| 816 | S | 32.2 | Very low | 36.9 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | | | trans | 70.6 | 166 | 149 | 79.4 | 0 | 0 | 0 | 0 | 118.9 | | |
| 817 | P | 38.7 | Very low | 35.3 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | | | cis | -123.9 | -180 | -18.4 | 22.6 | 0.4 | 0 | 0 | 0 | 113.7 | | |
| 818 | S | 27.7 | Very low | 34 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | | | trans | -89.7 | 159.2 | 176.4 | 175.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 819 | P | 39 | Very low | 33.4 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | | | | -128.3 | 171.6 | 115.5 | 37.4 | -32.1 | 0 | 0 | 0 | 114 | | |
| 820 | K | 29.3 | Very low | 32.7 | Very low | 184 Ų | 184 | 129.1 Ų | 129.1 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | | | trans | -106 | 162.3 | 170.6 | -53.5 | 178.6 | 179.7 | 177.9 | 0 | 109.3 | | |
| 821 | P | 34.8 | Very low | 32.1 | Very low | 128 Ų | 128 | 133 Ų | 133 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | | | | -144.2 | 171.5 | 87.6 | 36.9 | -20.2 | 0 | 0 | 0 | 116.1 | | |
| 822 | T | 25.8 | Very low | 32 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | trans | -124.3 | 173.6 | 171.6 | 43.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 823 | P | 41 | Very low | 31.8 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | | | cis | -132.2 | -152.1 | -4.5 | 36.9 | -15.2 | 0 | 0 | 0 | 112.8 | | |
| 824 | M | 25.3 | Very low | 31.9 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | | | trans | 99 | 149 | 165 | -62.6 | -159.5 | -70.3 | 0 | 0 | 117.2 | | |
| 825 | S | 29.1 | Very low | 31.8 | Very low | 80 Ų | 80 | 139.1 Ų | 139.1 | 56% | 0.559 | 75% | 0.749 | S | S | * | * | | | cis | -175.3 | 137.3 | -19.5 | 162.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 826 | K | 29.9 | Very low | 31.6 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | | | trans | 73 | 144.5 | 151.1 | -78.3 | 170.1 | -168.4 | 175.9 | 0 | 122.4 | | |
| 827 | F | 34.2 | Very low | 31.4 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | | | trans | 64.1 | 130.4 | 154.2 | -82.4 | -121.7 | 0 | 0 | 0 | 118.3 | | |
| 828 | E | 27.6 | Very low | 30.9 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | | | cis | 95.1 | 154.8 | 25.6 | -166.1 | 169.9 | -137.5 | 0 | 0 | 114.6 | | |
| 829 | V | 28.7 | Very low | 31 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 66% | 0.655 | 76% | 0.755 | S | S | * | * | | | trans | 88.2 | 77.4 | 176.7 | -164.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 830 | T | 28.1 | Very low | 30.5 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | | | | 23.5 | 135.9 | 126.3 | 66 | 0 | 0 | 0 | 0 | 119.6 | | |
| 831 | K | 35.5 | Very low | 30.6 | Very low | 188 Ų | 188 | 142.2 Ų | 142.2 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | | | | -176.7 | 145.6 | 87.7 | -98.2 | 169.6 | -174.2 | 174.3 | 0 | 114.4 | | |
| 832 | S | 30.8 | Very low | 30.2 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | | | trans | 23 | 142.1 | 145.6 | 61.4 | 0 | 0 | 0 | 0 | 120.9 | | |
| 833 | L | 32.9 | Very low | 30.8 | Very low | 161 Ų | 161 | 139 Ų | 139 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | | | | -164.4 | 170.2 | 59.2 | -172.6 | 56.4 | 0 | 0 | 0 | 113.4 | | |
| 834 | K | 30.6 | Very low | 30 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 74% | 0.739 | 74% | 0.739 | S | S | * | * | | | trans | -61.5 | 166.7 | 165.9 | -58.7 | 177.4 | -178.8 | 174.7 | 0 | 111.5 | | |
| 835 | Q | 32.6 | Very low | 30.2 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 73% | 0.729 | 74% | 0.735 | S | S | * | * | | | cis | -151 | 151.9 | 14.6 | -121 | 138 | -72.3 | 0 | 0 | 107.1 | | |
| 836 | R | 29.6 | Very low | 30.6 | Very low | 222 Ų | 222 | 143.8 Ų | 143.8 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | | | | 44.6 | 126.1 | 93 | -161.5 | 171.4 | -164.2 | 179.8 | 6.4 | 113.4 | | |
| 837 | A | 29.2 | Very low | 30.5 | Very low | 79 Ų | 79 | 140 Ų | 140 | 65% | 0.653 | 74% | 0.741 | S | S | * | * | | | cis | -160.5 | 179.4 | 19 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 838 | D | 28.2 | Very low | 30.1 | Very low | 132 Ų | 132 | 141.1 Ų | 141.1 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | cis | -173 | 167.2 | -32.1 | -77.7 | -28.5 | 0 | 0 | 0 | 106.7 | | |
| 839 | S | 28.9 | Very low | 31.2 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 90% | 0.895 | 75% | 0.745 | S | S | * | * | | | trans | 68.7 | 159.1 | 177.6 | -91.5 | 0 | 0 | 0 | 0 | 117.9 | | |
| 840 | S | 29.2 | Very low | 31.1 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | | | cis | 145.7 | 141.7 | -2.7 | -177.4 | 0 | 0 | 0 | 0 | 106 | | |
| 841 | Y | 29.8 | Very low | 31.2 | Very low | 200 Ų | 200 | 136.2 Ų | 136.2 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | | | cis | -171.5 | 151 | -5.2 | 156.4 | -103.6 | 0 | 0 | 0 | 110.6 | | |
| 842 | S | 27.1 | Very low | 31 | Very low | 74 Ų | 74 | 136.6 Ų | 136.6 | 52% | 0.517 | 76% | 0.76 | S | S | . | * | | | trans | 67.4 | 170.2 | 165.9 | -101.3 | 0 | 0 | 0 | 0 | 120 | | |
| 843 | P | 38.1 | Very low | 31 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | | | cis | -129.6 | 168.2 | -0.7 | 38.4 | -21 | 0 | 0 | 0 | 118.3 | | |
| 844 | Y | 25.6 | Very low | 30.8 | Very low | 204 Ų | 204 | 138.3 Ų | 138.3 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | | | trans | 12.2 | 131.7 | 153 | -79.5 | -104.6 | 0 | 0 | 0 | 124.4 | | |
| 845 | N | 28.5 | Very low | 30.9 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | | | | 33.4 | 157.5 | 117.6 | -99.4 | -5 | 0 | 0 | 0 | 122.3 | | |
| 846 | P | 37.8 | Very low | 30.6 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | | | cis | -143.2 | -167.7 | 17.9 | 42.6 | -21 | 0 | 0 | 0 | 118.4 | | |
| 847 | S | 27.7 | Very low | 30.6 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | | | trans | -27.4 | 148 | 174.1 | -43.2 | 0 | 0 | 0 | 0 | 126.1 | | |
| 848 | E | 25.2 | Very low | 31.1 | Very low | 182 Ų | 182 | 130.6 Ų | 130.6 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | | | trans | 64.3 | 169.5 | 135.8 | -86.8 | -158.1 | 159.9 | 0 | 0 | 122.6 | | |
| 849 | P | 50.4 | Low | 31.2 | Very low | 107 Ų | 107 | 128.7 Ų | 128.7 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | | | cis | -138.1 | -167.7 | -28.2 | 35.4 | -15.2 | 0 | 0 | 0 | 115.5 | | |
| 850 | A | 28 | Very low | 31.1 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | | | trans | 78.3 | 148.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 851 | G | 28.9 | Very low | 31.3 | Very low | 67 Ų | 67 | 131.4 Ų | 131.4 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | | | cis | 173.5 | -168.7 | -5.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 852 | Q | 31.9 | Very low | 31.8 | Very low | 195 Ų | 195 | 127.4 Ų | 127.4 | 91% | 0.911 | 76% | 0.76 | S | S | * | * | | | trans | 73.1 | 148.9 | 171.4 | -59.2 | -176 | 4.6 | 0 | 0 | 117.6 | | |
| 853 | S | 30.3 | Very low | 31.7 | Very low | 94 Ų | 94 | 133 Ų | 133 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | | | cis | -171.6 | 146.7 | -15.8 | 54.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 854 | K | 30.4 | Very low | 31.3 | Very low | 205 Ų | 205 | 132.2 Ų | 132.2 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | | | trans | 55 | 157.5 | 156.7 | -71.3 | -173.8 | 175.8 | -175.2 | 0 | 118.9 | | |
| 855 | A | 32.4 | Very low | 31.3 | Very low | 77 Ų | 77 | 129.2 Ų | 129.2 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | | | cis | -173.5 | 177.4 | -24.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 856 | E | 25.6 | Very low | 31.1 | Very low | 184 Ų | 184 | 127.8 Ų | 127.8 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | cis | -154.6 | -148.9 | 2 | -145.3 | 155.2 | 102.3 | 0 | 0 | 109.3 | | |
| 857 | A | 30.2 | Very low | 30.9 | Very low | 85 Ų | 85 | 127.9 Ų | 127.9 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | | | trans | -134.5 | 167.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 858 | P | 40 | Very low | 31.3 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | | -149.8 | 148.3 | 90.5 | 38.2 | -19.5 | 0 | 0 | 0 | 115.5 | | |
| 859 | A | 28.8 | Very low | 31.3 | Very low | 91 Ų | 91 | 126.1 Ų | 126.1 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | | | | 65.6 | 157.1 | 100.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 860 | K | 28.3 | Very low | 30.2 | Very low | 207 Ų | 207 | 130.1 Ų | 130.1 | 90% | 0.9 | 78% | 0.776 | S | S | * | * | | | cis | -159.9 | 161.9 | 17 | -144.3 | 160.5 | -171.7 | 173.9 | 0 | 110.9 | | |
| 861 | A | 32 | Very low | 30.1 | Very low | 87 Ų | 87 | 130 Ų | 130 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | | | trans | -87.7 | 176.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 862 | P | 39.9 | Very low | 30 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | | | | -161.6 | 170.8 | 83.8 | 44 | -23.5 | 0 | 0 | 0 | 120.3 | | |
| 863 | K | 26.7 | Very low | 30 | Very low | 190 Ų | 190 | 130.7 Ų | 130.7 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | | | trans | 55 | 103.8 | 138.2 | -76 | -179.4 | 177.6 | -176.4 | 0 | 124.8 | | |
| 864 | S | 27.7 | Very low | 29.8 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | | | | 56.9 | 143.9 | 108.2 | 70.8 | 0 | 0 | 0 | 0 | 126.2 | | |
| 865 | V | 26.6 | Very low | 29.9 | Very low | 140 Ų | 140 | 126.9 Ų | 126.9 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | | | trans | 96.7 | 132.1 | 150.8 | -161.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 866 | S | 24.6 | Very low | 29.7 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | | | trans | 117.1 | 153.9 | 143.4 | -145.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 867 | V | 32.4 | Very low | 29.8 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | | | trans | -124.3 | 153.7 | 179.9 | -158.9 | 0 | 0 | 0 | 0 | 109 | | |
| 868 | P | 38 | Very low | 29.9 | Very low | 124 Ų | 124 | 129 Ų | 129 | 81% | 0.805 | 75% | 0.748 | S | S | * | * | | | | -145.6 | -169.7 | 123.6 | 35.9 | -18 | 0 | 0 | 0 | 115 | | |
| 869 | N | 25.1 | Very low | 29.2 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 66% | 0.658 | 75% | 0.748 | S | S | * | * | | | trans | -105.6 | 176.3 | -159.5 | -58.4 | -41.6 | 0 | 0 | 0 | 116.2 | | |
| 870 | F | 27.2 | Very low | 29.2 | Very low | 192 Ų | 192 | 134.5 Ų | 134.5 | 84% | 0.842 | 75% | 0.748 | S | S | * | * | | | trans | 77.1 | 150.3 | 152.6 | -62.6 | -47.7 | 0 | 0 | 0 | 117.5 | | |
| 871 | T | 25.4 | Very low | 29.2 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 63% | 0.632 | 74% | 0.743 | S | S | * | * | | | cis | -169.3 | 153.4 | -1 | -113.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 872 | T | 26.5 | Very low | 28.9 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 71% | 0.712 | 74% | 0.738 | S | S | * | * | | | trans | 66.9 | 162.2 | 162.9 | 53.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 873 | Q | 32.7 | Very low | 28.4 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | | | cis | -157.9 | 155.2 | 7.5 | -138.1 | 172.9 | 73.7 | 0 | 0 | 116.2 | | |
| 874 | S | 26.2 | Very low | 28.4 | Very low | 95 Ų | 95 | 128.6 Ų | 128.6 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | | | trans | 60.5 | 143.9 | 139.1 | -86.9 | 0 | 0 | 0 | 0 | 122.8 | | |
| 875 | T | 31.1 | Very low | 28.7 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 76% | 0.761 | 73% | 0.73 | S | S | * | * | | | cis | -142.6 | -170.3 | -7.9 | 57.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 876 | R | 29.2 | Very low | 28.7 | Very low | 224 Ų | 224 | 132.8 Ų | 132.8 | 85% | 0.845 | 72% | 0.724 | S | S | * | * | | | cis | -159.8 | 171 | -2.2 | -139.8 | -177.7 | 166.7 | 160.8 | -3.2 | 105.1 | | |
| 877 | S | 27.3 | Very low | 29.1 | Very low | 93 Ų | 93 | 133 Ų | 133 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | | | cis | -137.7 | 175.5 | 7.2 | -65.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 878 | A | 31.4 | Very low | 28.9 | Very low | 74 Ų | 74 | 134.3 Ų | 134.3 | 61% | 0.612 | 71% | 0.714 | S | S | * | * | | | cis | 72.3 | 116.8 | 36.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 879 | E | 27.2 | Very low | 28.4 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 77% | 0.766 | 71% | 0.708 | S | S | * | * | | | cis | -148.1 | 144.6 | 1.1 | -104.8 | 166.7 | 88.8 | 0 | 0 | 109.5 | | |
| 880 | Q | 28.6 | Very low | 28.8 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 76% | 0.757 | 71% | 0.709 | S | S | * | * | | | | 55.4 | 142.9 | 91.6 | -69.8 | 173.5 | -112.9 | 0 | 0 | 115.2 | | |
| 881 | L | 27.3 | Very low | 29.1 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | | | cis | -136.3 | -156.2 | 16.6 | -150.6 | 67.7 | 0 | 0 | 0 | 108.1 | | |
| 882 | S | 26.6 | Very low | 29.3 | Very low | 88 Ų | 88 | 133.8 Ų | 133.8 | 62% | 0.615 | 71% | 0.708 | S | S | * | * | | | cis | -166.7 | 147.6 | 2.5 | 57.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 883 | T | 28.2 | Very low | 29.4 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 77% | 0.767 | 71% | 0.711 | S | S | * | * | | | trans | 26.6 | 147.5 | 138.1 | 59.6 | 0 | 0 | 0 | 0 | 123.4 | | |
| 884 | D | 27.9 | Very low | 29.2 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 60% | 0.599 | 71% | 0.712 | S | S | * | * | | | cis | -178.5 | 149.9 | -15.7 | -154.7 | -0.1 | 0 | 0 | 0 | 110.2 | | |
| 885 | K | 32.7 | Very low | 29.1 | Very low | 173 Ų | 173 | 133.4 Ų | 133.4 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | | | trans | 54.1 | 163.3 | 152.4 | -76.9 | 156.8 | -160.1 | 148.7 | 0 | 122.2 | | |
| 886 | H | 26.4 | Very low | 28.8 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | | | cis | -179.8 | 149.4 | -20.6 | 178.3 | -123.6 | 0 | 0 | 0 | 112.6 | | |
| 887 | L | 33.7 | Very low | 29 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 61% | 0.613 | 71% | 0.71 | S | S | * | * | | | trans | 60.8 | 166.9 | 168.4 | -76.3 | 172.2 | 0 | 0 | 0 | 118.5 | | |
| 888 | E | 27.4 | Very low | 29.4 | Very low | 146 Ų | 146 | 126.1 Ų | 126.1 | 68% | 0.682 | 71% | 0.713 | S | S | * | * | | | cis | -149.2 | 170.8 | 10.6 | -156.9 | 108.7 | -143.9 | 0 | 0 | 113.2 | | |
| 889 | E | 28.7 | Very low | 29.2 | Very low | 146 Ų | 146 | 130.4 Ų | 130.4 | 68% | 0.682 | 72% | 0.72 | S | S | * | * | | | trans | 23.9 | 156.6 | 149.6 | -77.8 | -152 | 131.4 | 0 | 0 | 124.1 | | |
| 890 | K | 33.7 | Very low | 29.2 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | | | cis | -177.3 | 171.9 | -27.9 | -145.6 | 172.9 | 164.6 | 179.9 | 0 | 111 | | |
| 891 | L | 33.3 | Very low | 29.2 | Very low | 146 Ų | 146 | 126 Ų | 126 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | | | trans | 57.8 | 111.6 | 155.4 | -65 | -171.5 | 0 | 0 | 0 | 122.5 | | |
| 892 | A | 29.3 | Very low | 29.2 | Very low | 84 Ų | 84 | 123.2 Ų | 123.2 | 69% | 0.694 | 71% | 0.714 | S | S | * | * | | | | 82.3 | 127.3 | 110.1 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 893 | V | 28.8 | Very low | 29.6 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | | | | 77.4 | 102.3 | 127.5 | 172.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 894 | T | 27.6 | Very low | 29.7 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | | | | 61.3 | 127.2 | 127.1 | -48.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 895 | S | 24.9 | Very low | 29.8 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | | | | 157.2 | 147.5 | 113.4 | -163.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 896 | A | 24.9 | Very low | 29.8 | Very low | 99 Ų | 99 | 130.7 Ų | 130.7 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | | | trans | 56.2 | 154.4 | 151.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 897 | A | 32.9 | Very low | 29.9 | Very low | 78 Ų | 78 | 126.8 Ų | 126.8 | 65% | 0.645 | 74% | 0.742 | S | S | * | * | | | trans | -114.5 | 155.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 898 | P | 36.3 | Very low | 29.8 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | | | trans | -103.9 | 147.3 | 141.6 | -2.6 | 23.7 | 0 | 0 | 0 | 109.5 | | |
| 899 | H | 28 | Very low | 30 | Very low | 165 Ų | 165 | 130.6 Ų | 130.6 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | | | | 63.2 | 140 | 59.3 | -42.4 | -25.4 | 0 | 0 | 0 | 113.5 | | |
| 900 | T | 27.1 | Very low | 30.6 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | | | cis | -175.4 | 149.2 | -23.8 | 32.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 901 | S | 27.6 | Very low | 30.4 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | 66.8 | 168.4 | 162.2 | 94.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 902 | S | 27.8 | Very low | 30.2 | Very low | 93 Ų | 93 | 123 Ų | 123 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | | | cis | -157 | 179.6 | -29 | 52.1 | 0 | 0 | 0 | 0 | 106.8 | | |
| 903 | K | 34.1 | Very low | 30.4 | Very low | 181 Ų | 181 | 124.9 Ų | 124.9 | 79% | 0.787 | 76% | 0.76 | S | S | * | * | | | cis | -172.9 | 174.1 | 35.7 | -149.5 | 165.6 | -170.3 | 171.8 | 0 | 111.7 | | |
| 904 | Q | 30.6 | Very low | 30.5 | Very low | 187 Ų | 187 | 124.8 Ų | 124.8 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | | | trans | 68.9 | 157.8 | 170.9 | -69.8 | -174.9 | -22.3 | 0 | 0 | 115.3 | | |
| 905 | A | 29.3 | Very low | 30.9 | Very low | 85 Ų | 85 | 123.4 Ų | 123.4 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | | | cis | -167.6 | 168 | -25.7 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 906 | Q | 32.6 | Very low | 31.3 | Very low | 201 Ų | 201 | 126 Ų | 126 | 94% | 0.939 | 76% | 0.756 | S | S | * | * | | | cis | -117.8 | -142.7 | -0.5 | -60 | 176.3 | 7.1 | 0 | 0 | 109.6 | | |
| 907 | G | 29.4 | Very low | 31.6 | Very low | 72 Ų | 72 | 128.6 Ų | 128.6 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | | | trans | -173.3 | 161.7 | 168 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 908 | S | 30.9 | Very low | 31.6 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 92% | 0.923 | 75% | 0.751 | S | S | * | * | | | trans | -155.1 | 169.5 | 164.5 | 59.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 909 | R | 32.9 | Very low | 31.5 | Very low | 212 Ų | 212 | 129.3 Ų | 129.3 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | | | trans | -103.3 | 163.4 | -156.4 | -149.4 | -178.4 | 165.3 | 179.6 | -5.1 | 112 | | |
| 910 | P | 41.3 | Very low | 31.7 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | | | | -139.2 | 168.8 | 94.8 | 36 | -22.1 | 0 | 0 | 0 | 114.9 | | |
| 911 | A | 29.2 | Very low | 32 | Very low | 49 Ų | 49 | 129.5 Ų | 129.5 | 41% | 0.405 | 75% | 0.753 | S | S | . | * | | | trans | -102.7 | 153.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 912 | S | 29.6 | Very low | 32.3 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | | | | 53 | 136.7 | 72.3 | -19.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 913 | T | 32.8 | Very low | 32.6 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | | | cis | -140.8 | 179.4 | 19 | 48.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 914 | T | 31.6 | Very low | 32.7 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | | | | 155.6 | 146 | 85.1 | -98 | 0 | 0 | 0 | 0 | 106.2 | | |
| 915 | S | 35.2 | Very low | 33.4 | Very low | 98 Ų | 98 | 126.6 Ų | 126.6 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | | | cis | -161.9 | -155.3 | -22.4 | -163.1 | 0 | 0 | 0 | 0 | 104.6 | | |
| 916 | Q | 33.1 | Very low | 33.6 | Very low | 163 Ų | 163 | 127 Ų | 127 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | | | cis | -148.4 | 164.9 | 11.4 | -72.6 | -175.7 | -103.4 | 0 | 0 | 111.6 | | |
| 917 | H | 31.9 | Very low | 33.7 | Very low | 154 Ų | 154 | 123.2 Ų | 123.2 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | | | trans | -4.6 | 157.7 | 145.1 | -55.4 | -72.5 | 0 | 0 | 0 | 121.9 | | |
| 918 | S | 32.9 | Very low | 33.9 | Very low | 93 Ų | 93 | 123.6 Ų | 123.6 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | | | cis | -175.6 | 147.7 | -20 | -95.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 919 | S | 33.3 | Very low | 34.2 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | | | trans | 12.9 | 150 | 143.8 | 72.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 920 | S | 33 | Very low | 34.2 | Very low | 83 Ų | 83 | 122 Ų | 122 | 58% | 0.58 | 74% | 0.736 | S | S | * | * | | | cis | -175.8 | 157.5 | 30.4 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 921 | F | 33.4 | Very low | 34.1 | Very low | 202 Ų | 202 | 122.5 Ų | 122.5 | 89% | 0.886 | 74% | 0.739 | S | S | * | * | | | trans | 58.6 | 160.2 | 155.1 | -57.3 | -52.9 | 0 | 0 | 0 | 117.9 | | |
| 922 | S | 33.4 | Very low | 34.6 | Very low | 82 Ų | 82 | 124.3 Ų | 124.3 | 57% | 0.573 | 75% | 0.754 | S | S | * | * | | | cis | -156.3 | 169.8 | -25.2 | 52.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 923 | D | 34.5 | Very low | 35.1 | Very low | 144 Ų | 144 | 124.4 Ų | 124.4 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | | | trans | 65.8 | 159.1 | 161.2 | -50.8 | -52.9 | 0 | 0 | 0 | 117.2 | | |
| 924 | T | 34.7 | Very low | 35.5 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | | | cis | -146 | 165.7 | -14.3 | -126.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 925 | I | 45.3 | Very low | 36.2 | Very low | 168 Ų | 168 | 129.1 Ų | 129.1 | 86% | 0.862 | 77% | 0.768 | S | S | * | * | | | trans | -69.4 | 131.1 | -179.1 | -60.4 | 159.8 | 0 | 0 | 0 | 111.7 | | |
| 926 | A | 35.2 | Very low | 36.7 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | | | trans | -154.1 | 147.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 927 | S | 32.9 | Very low | 37.2 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | trans | -45.7 | 162.5 | 160.4 | -81.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 928 | A | 33.8 | Very low | 37.6 | Very low | 80 Ų | 80 | 129.5 Ų | 129.5 | 66% | 0.661 | 79% | 0.787 | S | S | * | * | | | cis | -162.5 | 171.9 | -0.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 929 | F | 38.2 | Very low | 38 | Very low | 207 Ų | 207 | 131.1 Ų | 131.1 | 91% | 0.908 | 79% | 0.793 | S | S | * | * | | | trans | -20.2 | 130.7 | 157 | -58.7 | -97.9 | 0 | 0 | 0 | 117.9 | | |
| 930 | S | 32 | Very low | 38.4 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | -156.6 | 128.1 | 139.3 | -169 | 0 | 0 | 0 | 0 | 111.4 | A932 | S930-A932 PolarHBondContact O-N 2.74Š|
| 931 | P | 40.6 | Very low | 38.8 | Very low | 138 Ų | 138 | 141.4 Ų | 141.4 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | | | trans | -93.6 | 74.2 | -165.2 | 36.6 | -36.8 | 0 | 0 | 0 | 114.3 | | |
| 932 | A | 40.1 | Very low | 39.3 | Very low | 87 Ų | 87 | 139.1 Ų | 139.1 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | | | trans | -125.3 | 7.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | S930 | S930-A932 PolarHBondContact O-N 2.74Š|
| 933 | S | 38.9 | Very low | 40.1 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -127.5 | 10.6 | -162.4 | -50.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 934 | L | 41.5 | Very low | 40.8 | Very low | 172 Ų | 172 | 138.4 Ų | 138.4 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | | | trans | -114.6 | 11.4 | -169.5 | -82 | 174 | 0 | 0 | 0 | 118 | | |
| 935 | I | 46.4 | Very low | 41.2 | Very low | 178 Ų | 178 | 143.2 Ų | 143.2 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -107.2 | 50.5 | 174.2 | -42.6 | -175.6 | 0 | 0 | 0 | 111.7 | | |
| 936 | A | 44.8 | Very low | 41.1 | Very low | 88 Ų | 88 | 140.3 Ų | 140.3 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -148.3 | 27.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 937 | R | 45.1 | Very low | 41.8 | Very low | 247 Ų | 247 | 145.5 Ų | 145.5 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | | | trans | -143.6 | 32.3 | 177.9 | -107.2 | 159 | -159.4 | 157.5 | 6.7 | 116 | V939 | R937-V939 PolarHBondContact O-N 2.87Š|
| 938 | G | 40.3 | Very low | 42.2 | Very low | 87 Ų | 87 | 149.3 Ų | 149.3 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | | | trans | -71.7 | 18.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | R940 | G938-R940 PolarHBondContact O-N 3.5Š|
| 939 | V | 40.3 | Very low | 42.6 | Very low | 127 Ų | 127 | 150.6 Ų | 150.6 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | | | trans | -92.2 | 97.2 | -178.1 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | R937 Q941 | R937-V939 PolarHBondContact O-N 2.87Å; V939-Q941 PolarHBondContact O-N 3.18Å |
| 940 | R | 43 | Very low | 42.6 | Very low | 227 Ų | 227 | 145.3 Ų | 145.3 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | | | trans | -65.1 | 105.4 | 169 | -81.2 | -173.9 | 171.3 | -124.3 | -0.5 | 110.3 | G938 M942 | G938-R940 PolarHBondContact O-N 3.5Å; R940-M942 PolarHBondContact O-N 2.77Å |
| 941 | Q | 41.3 | Very low | 43 | Very low | 181 Ų | 181 | 149.7 Ų | 149.7 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | | | trans | -51.7 | 108.6 | 164.6 | -75.7 | -81.1 | 2.7 | 0 | 0 | 109.6 | V939 A943 | V939-Q941 PolarHBondContact O-N 3.18Å; Q941-A943 PolarHBondContact O-N 3.09Å |
| 942 | M | 43.8 | Very low | 43.1 | Very low | 155 Ų | 155 | 152.7 Ų | 152.7 | 76% | 0.764 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 120 | 171.6 | -78 | -82.5 | 102.8 | 0 | 0 | 108.8 | R940 | R940-M942 PolarHBondContact O-N 2.77Š|
| 943 | A | 48.8 | Very low | 43.2 | Very low | 85 Ų | 85 | 154.4 Ų | 154.4 | 70% | 0.702 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 136.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q941 R945 | Q941-A943 PolarHBondContact O-N 3.09Å; A943-R945 PolarHBondContact O-N 3.34Å |
| 944 | P | 49.7 | Very low | 43.1 | Very low | 126 Ų | 126 | 154.4 Ų | 154.4 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 122.7 | -177.5 | -27.2 | 35.3 | 0 | 0 | 0 | 112.6 | | |
| 945 | R | 43.8 | Very low | 43 | Very low | 225 Ų | 225 | 150.7 Ų | 150.7 | 85% | 0.849 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 126.7 | 177.7 | -62.3 | 178.5 | 71 | -178.3 | 3.5 | 109.7 | A943 K947 | A943-R945 PolarHBondContact O-N 3.34Å; R945-K947 PolarHBondContact O-N 3.45Å; R945-K947 VanDerWaalsContact O-N 3.16Å |
| 946 | P | 43.8 | Very low | 42.8 | Very low | 107 Ų | 107 | 149 Ų | 149 | 70% | 0.695 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 117.1 | -178.5 | 24.2 | -33.2 | 0 | 0 | 0 | 111.1 | F948 | P946-F948 HydrophobicContact CB-CE2 4.4Å; P946-F948 PolarHBondContact O-N 3.47Å |
| 947 | K | 49.3 | Very low | 42.6 | Very low | 202 Ų | 202 | 148.4 Ų | 148.4 | 88% | 0.878 | 83% | 0.825 | S | S | * | * | | | trans | -85.1 | 90 | -179.8 | -67.8 | 179.9 | -178.9 | 174.7 | 0 | 110.5 | R945 S949 | R945-K947 PolarHBondContact O-N 3.45Å; R945-K947 VanDerWaalsContact O-N 3.16Å; K947-S949 PolarHBondContact O-N 2.87Å |
| 948 | F | 41.5 | Very low | 42.3 | Very low | 200 Ų | 200 | 146 Ų | 146 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | | | trans | -68.4 | 95.7 | 171.2 | -84 | -85.7 | 0 | 0 | 0 | 111.4 | P946 | P946-F948 HydrophobicContact CB-CE2 4.4Å; P946-F948 PolarHBondContact O-N 3.47Å |
| 949 | S | 41.2 | Very low | 42.2 | Very low | 107 Ų | 107 | 150 Ų | 150 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | | | trans | -88.7 | 99.6 | 172.7 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | K947 K951 | K947-S949 PolarHBondContact O-N 2.87Å; S949-K951 PolarHBondContact O-N 2.7Å |
| 950 | A | 38.5 | Very low | 41.7 | Very low | 96 Ų | 96 | 155.3 Ų | 155.3 | 79% | 0.793 | 82% | 0.822 | S | S | * | * | | | trans | -71.8 | 95 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K952 | A950-K952 PolarHBondContact O-N 2.78Š|
| 951 | K | 41.4 | Very low | 41.4 | Very low | 197 Ų | 197 | 152.4 Ų | 152.4 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | | | trans | -62.9 | 114.4 | 167 | -79.9 | -174.3 | 174.5 | -179.3 | 0 | 109.1 | S949 P953 | S949-K951 PolarHBondContact O-N 2.7Å; K951-P953 VanDerWaalsContact O-CD 3.29Å; K951-P953 WeakPolarHBondContact O-CD 3.47Å |
| 952 | K | 41.7 | Very low | 41.5 | Very low | 202 Ų | 202 | 149.8 Ų | 149.8 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | | | trans | -71.9 | 120.6 | 168.5 | -74.2 | 179 | 176.5 | 179 | 0 | 109.9 | A950 | A950-K952 PolarHBondContact O-N 2.78Š|
| 953 | P | 42.8 | Very low | 41 | Very low | 122 Ų | 122 | 149.1 Ų | 149.1 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | | | trans | -74 | 126.3 | 153.2 | 31.1 | -30.3 | 0 | 0 | 0 | 108.4 | K951 | K951-P953 VanDerWaalsContact O-CD 3.29Å; K951-P953 WeakPolarHBondContact O-CD 3.47Å |
| 954 | A | 35.5 | Very low | 40.6 | Very low | 111 Ų | 111 | 149.2 Ų | 149.2 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | | | trans | -85.6 | 111.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 955 | A | 41 | Very low | 39.9 | Very low | 95 Ų | 95 | 151.9 Ų | 151.9 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | | | trans | -133.3 | 124.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 956 | T | 42.2 | Very low | 39.5 | Very low | 141 Ų | 141 | 148.4 Ų | 148.4 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | | | trans | -73.1 | 129.3 | -177.3 | 49.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 957 | G | 40.1 | Very low | 39.4 | Very low | 77 Ų | 77 | 148.2 Ų | 148.2 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | | | trans | -70.7 | 159.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 958 | K | 38.2 | Very low | 38.8 | Very low | 195 Ų | 195 | 144 Ų | 144 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | | | trans | -129.8 | 132 | 159.9 | -74 | -161.2 | 173.3 | -169.3 | 0 | 110.5 | | |
| 959 | Q | 37.8 | Very low | 38.8 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 81% | 0.808 | 85% | 0.848 | S | S | * | * | | | trans | -90.7 | 142 | 176.4 | 179.2 | -176.8 | 8.7 | 0 | 0 | 109.1 | | |
| 960 | W | 29.3 | Very low | 38.7 | Very low | 237 Ų | 237 | 144.9 Ų | 144.9 | 90% | 0.898 | 85% | 0.853 | S | S | * | * | | | trans | -128.5 | 139.6 | 167.6 | -85.4 | 87.4 | 0 | 0 | 0 | 110.3 | | |
| 961 | K | 37.7 | Very low | 38.7 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 72% | 0.722 | 86% | 0.856 | S | S | * | * | | | trans | -97.8 | 153.5 | 178.2 | -67.9 | -177.4 | 177.7 | -178.6 | 0 | 110.3 | | |
| 962 | P | 43 | Very low | 38.6 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 83% | 0.825 | 86% | 0.856 | S | S | * | * | | | trans | -78.6 | 138.2 | 165.1 | 33.2 | -32.6 | 0 | 0 | 0 | 110.9 | | |
| 963 | V | 33.2 | Very low | 38.4 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 85% | 0.848 | 86% | 0.855 | S | S | * | * | | | trans | -142.8 | 144.1 | 160.9 | 178.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 964 | A | 41.6 | Very low | 38.1 | Very low | 87 Ų | 87 | 142.6 Ų | 142.6 | 72% | 0.719 | 86% | 0.858 | S | S | * | * | | | trans | -124.3 | 151.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 965 | M | 34.3 | Very low | 38.3 | Very low | 182 Ų | 182 | 144.7 Ų | 144.7 | 90% | 0.897 | 86% | 0.855 | S | S | * | * | | | trans | -172 | 169.7 | 139.1 | -103.2 | -47.7 | -173.8 | 0 | 0 | 112.4 | | |
| 966 | L | 35.3 | Very low | 38.1 | Very low | 152 Ų | 152 | 148.2 Ų | 148.2 | 80% | 0.796 | 86% | 0.859 | S | S | * | * | | | trans | -82.6 | 161.3 | -171.4 | -74.9 | 126.6 | 0 | 0 | 0 | 115.4 | | |
| 967 | S | 40.8 | Very low | 37.8 | Very low | 104 Ų | 104 | 148.8 Ų | 148.8 | 73% | 0.727 | 86% | 0.859 | S | S | * | * | | | trans | 52.8 | 121.8 | 136.5 | -159.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 968 | S | 36.8 | Very low | 37.6 | Very low | 113 Ų | 113 | 154.8 Ų | 154.8 | 79% | 0.79 | 86% | 0.864 | S | S | * | * | | | | 168.8 | 126.1 | 94 | -83 | 0 | 0 | 0 | 0 | 113 | | |
| 969 | A | 43.1 | Very low | 37.5 | Very low | 181 Ų | 181 | 151.1 Ų | 151.1 | 100% | 1.496 | 87% | 0.866 | S | S | * | * | | | trans | -161.2 | 0 | 152.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |