| 1 | M | 37.4 | Very low | 33.2 | Very low | 220 Ų | 220 | 139.7 Ų | 139.7 | 100% | 1.084 | 79% | 0.787 | S | S | * | * | | | | 0 | 123.8 | 0 | -72.2 | 158 | 72.2 | 0 | 0 | 107.2 | | |
| 2 | L | 35.8 | Very low | 33 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | | 64.7 | 126.4 | 113.3 | -59 | 172 | 0 | 0 | 0 | 114.3 | | |
| 3 | K | 33.9 | Very low | 33.1 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | cis | -163.2 | 135.4 | -18.1 | -113.9 | 175.7 | -175.3 | -179.2 | 0 | 102.9 | | |
| 4 | S | 31.7 | Very low | 33.1 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | | 64.8 | 143.8 | 56 | -160.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 5 | C | 33.8 | Very low | 33.1 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | | | trans | 70.5 | 145.4 | -171.2 | -50.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 6 | G | 32.3 | Very low | 33 | Very low | 58 Ų | 58 | 133.4 Ų | 133.4 | 60% | 0.598 | 73% | 0.731 | S | S | * | * | | | cis | 177.9 | 134.7 | -5.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 7 | T | 31.8 | Very low | 33.1 | Very low | 137 Ų | 137 | 130.7 Ų | 130.7 | 84% | 0.84 | 71% | 0.71 | S | S | * | * | | | | 52.7 | 112.7 | 85.1 | 58.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 8 | V | 34.4 | Very low | 33.3 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | | | trans | 161.4 | 105.4 | 145.1 | 153.7 | 0 | 0 | 0 | 0 | 104.5 | | |
| 9 | D | 30.4 | Very low | 33.3 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 74% | 0.743 | 70% | 0.699 | S | S | * | * | | | | 71.3 | 147.4 | 68.2 | -74.2 | -44.8 | 0 | 0 | 0 | 114.6 | | |
| 10 | K | 32.1 | Very low | 33.4 | Very low | 193 Ų | 193 | 127.4 Ų | 127.4 | 84% | 0.839 | 70% | 0.699 | S | S | * | * | | | trans | 83.3 | 145.9 | 170.4 | -53 | -177.1 | -177.1 | 179.8 | 0 | 116.4 | | |
| 11 | V | 31.8 | Very low | 33.3 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | | | cis | -152.8 | 168.8 | -14.4 | 118.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 12 | D | 30.5 | Very low | 33 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 67% | 0.674 | 69% | 0.686 | S | S | * | * | | | trans | -47.7 | 175.1 | 174.6 | -49.9 | -99.7 | 0 | 0 | 0 | 117.6 | | |
| 13 | H | 34.1 | Very low | 32.7 | Very low | 163 Ų | 163 | 120.4 Ų | 120.4 | 76% | 0.755 | 69% | 0.687 | S | S | * | * | | | trans | 108.3 | 137.2 | 154.4 | -71.1 | 11 | 0 | 0 | 0 | 116.6 | | |
| 14 | K | 33.7 | Very low | 32.6 | Very low | 136 Ų | 136 | 118 Ų | 118 | 59% | 0.591 | 69% | 0.687 | S | S | * | * | | | cis | -179.6 | 158.7 | -18.5 | -131.8 | 173.9 | 148.8 | -121.1 | 0 | 108.3 | | |
| 15 | D | 33.6 | Very low | 32.5 | Very low | 103 Ų | 103 | 120.2 Ų | 120.2 | 55% | 0.551 | 69% | 0.686 | S | S | * | * | | | trans | 61.3 | 161.1 | 152.4 | -59.8 | -31.5 | 0 | 0 | 0 | 116.1 | | |
| 16 | C | 31.8 | Very low | 32.5 | Very low | 69 Ų | 69 | 120 Ų | 120 | 47% | 0.466 | 68% | 0.676 | S | S | . | * | | | cis | -163.5 | 158.5 | -22.8 | -112.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 17 | K | 34.4 | Very low | 32.6 | Very low | 88 Ų | 88 | 123.6 Ų | 123.6 | 38% | 0.383 | 68% | 0.681 | S | S | . | * | | | trans | 65.6 | 167.2 | 147.7 | -73.8 | 170.2 | 170.9 | -70.6 | 0 | 118 | T1364 T1365 T1366 | K17-T1364 PolarHBondContact NZ-O 3.5Å; K17-T1365 WeakPolarHBondContact CE-OG1 3.29Å; K17-T1365 WeakPolarHBondContact CG-OG1 3.48Å; K17-T1365 PolarHBondContact NZ-OG1 3.21Å; K17-T1365 VanDerWaalsContact NZ-OG1 3.07Å; K17-T1366 HydrophobicContact CD-CG2 4.14Å; K17-T1366 WeakPolarHBondContact CE-OG1 2.88Å; K17-T1366 PolarHBondContact NZ-OG1 3.33Å |
| 18 | E | 35.9 | Very low | 32.5 | Very low | 114 Ų | 114 | 123 Ų | 123 | 53% | 0.533 | 67% | 0.668 | S | S | . | * | | | cis | -152.3 | 131 | -11.9 | -121.4 | 151.1 | 179.7 | 0 | 0 | 107.6 | T1364 | E18-T1364 HydrophobicContact CG-CG2 3.67Å; E18-T1364 WeakPolarHBondContact CG-OG1 3.49Å; E18-T1364 VanDerWaalsContact OE1-CB 3.29Å; E18-T1364 WeakPolarHBondContact OE1-CB 3.48Å; E18-T1364 PolarHBondContact OE1-OG1 3.29Å |
| 19 | E | 33.9 | Very low | 32.6 | Very low | 143 Ų | 143 | 122.6 Ų | 122.6 | 67% | 0.668 | 66% | 0.662 | S | S | * | * | | | | 67.1 | 157.5 | 96.5 | -132.8 | -175.8 | -130.1 | 0 | 0 | 117.6 | T1364 | E19-T1364 HydrophobicContact CB-CG2 3.73Å; E19-T1364 VanDerWaalsContact CD-OG1 3.27Å; E19-T1364 HydrophobicContact CG-CG2 3.81Å; E19-T1364 WeakPolarHBondContact OE1-CG2 3.45Å; E19-T1364 PolarHBondContact OE1-N 3.5Å; E19-T1364 PolarHBondContact OE2-OG1 3.15Å; E19-T1364 VanDerWaalsContact OE2-OG1 3.13Å |
| 20 | G | 35 | Very low | 32.7 | Very low | 68 Ų | 68 | 122 Ų | 122 | 70% | 0.701 | 65% | 0.653 | S | S | * | * | | | trans | 99.5 | 90.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 21 | S | 31.2 | Very low | 32.9 | Very low | 111 Ų | 111 | 118.3 Ų | 118.3 | 78% | 0.776 | 65% | 0.647 | S | S | * | * | | | cis | 81.8 | 151 | 33.2 | -156.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 22 | C | 30.9 | Very low | 32.9 | Very low | 108 Ų | 108 | 120 Ų | 120 | 73% | 0.73 | 65% | 0.647 | S | S | * | * | | | trans | 75.6 | 113.9 | -173.4 | -55.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 23 | T | 29.7 | Very low | 33.1 | Very low | 124 Ų | 124 | 122 Ų | 122 | 76% | 0.761 | 65% | 0.652 | S | S | * | * | | | cis | 79.4 | 166.7 | 41.6 | 76.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 24 | V | 32.1 | Very low | 33 | Very low | 127 Ų | 127 | 118.7 Ų | 118.7 | 77% | 0.77 | 65% | 0.648 | S | S | * | * | | | trans | 79.6 | 135.7 | 179.6 | -175.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 25 | E | 30.4 | Very low | 32.7 | Very low | 148 Ų | 148 | 121.8 Ų | 121.8 | 69% | 0.692 | 66% | 0.661 | S | S | * | * | | | cis | -176.5 | 160.6 | -36.3 | -126.6 | 172.8 | -124.7 | 0 | 0 | 109.6 | | |
| 26 | N | 31.8 | Very low | 32.7 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 67% | 0.668 | 67% | 0.674 | S | S | * | * | | | trans | 63.1 | 172.5 | 155.7 | -55.3 | -29.7 | 0 | 0 | 0 | 116.8 | | |
| 27 | L | 34.6 | Very low | 32.5 | Very low | 132 Ų | 132 | 124.4 Ų | 124.4 | 69% | 0.691 | 69% | 0.685 | S | S | * | * | | | cis | -140.9 | 163 | 3.8 | -165.9 | 61.7 | 0 | 0 | 0 | 112.5 | | |
| 28 | E | 31.3 | Very low | 32.2 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 58% | 0.579 | 70% | 0.704 | S | S | * | * | | | trans | -45.1 | 159.8 | 172.7 | -50.7 | 168.6 | 94.8 | 0 | 0 | 115.6 | K30 | E28-K30 IonicContact OE1-NZ 3.89Å; E28-K30 PolarHBondContact OE1-NZ 2.91Å; E28-K30 IonicContact OE2-NZ 3.9Å |
| 29 | N | 35.2 | Very low | 31.6 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 61% | 0.61 | 71% | 0.712 | S | S | * | * | | | | -165.4 | 145.5 | 72.1 | -87 | -73.2 | 0 | 0 | 0 | 111.8 | | |
| 30 | K | 33.6 | Very low | 31.2 | Very low | 126 Ų | 126 | 124 Ų | 124 | 55% | 0.548 | 72% | 0.716 | S | S | . | * | | | | 53.9 | 131.9 | 88.2 | -49.8 | -168.2 | -169.7 | 92.7 | 0 | 112.9 | E28 | E28-K30 IonicContact OE1-NZ 3.89Å; E28-K30 PolarHBondContact OE1-NZ 2.91Å; E28-K30 IonicContact OE2-NZ 3.9Å |
| 31 | T | 34.9 | Very low | 30.9 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 71% | 0.712 | 72% | 0.722 | S | S | * | * | | | | -144.6 | 137.3 | 54.9 | -51.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 32 | E | 32.1 | Very low | 30.6 | Very low | 154 Ų | 154 | 127.7 Ų | 127.7 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | | | | 51.9 | 142.7 | 81.6 | -42.9 | 168.9 | 169.5 | 0 | 0 | 112.7 | | |
| 33 | E | 36.1 | Very low | 30.4 | Very low | 168 Ų | 168 | 127.4 Ų | 127.4 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | | | cis | -143.5 | 136.9 | 29.3 | -67.1 | -178.7 | 118.8 | 0 | 0 | 112.3 | | |
| 34 | S | 31 | Very low | 30.3 | Very low | 95 Ų | 95 | 129.3 Ų | 129.3 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | | | | 90.6 | 128.9 | 107.3 | 86.4 | 0 | 0 | 0 | 0 | 117.2 | | |
| 35 | F | 28 | Very low | 30 | Very low | 201 Ų | 201 | 129.6 Ų | 129.6 | 88% | 0.882 | 71% | 0.709 | S | S | * | * | | | | 47.9 | 130.5 | 101.2 | -64.3 | -81 | 0 | 0 | 0 | 114.1 | | |
| 36 | I | 32 | Very low | 29.9 | Very low | 159 Ų | 159 | 127 Ų | 127 | 82% | 0.815 | 71% | 0.707 | S | S | * | * | | | cis | -146.5 | 157.4 | 18.1 | -55.3 | 172 | 0 | 0 | 0 | 107 | V38 | I36-V38 HydrophobicContact CG2-CG2 4.5Š|
| 37 | G | 28.9 | Very low | 29.9 | Very low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 72% | 0.717 | S | S | * | * | | | cis | 139.5 | 175 | -0.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 38 | V | 27.5 | Very low | 29.4 | Very low | 129 Ų | 129 | 126.1 Ų | 126.1 | 78% | 0.782 | 72% | 0.715 | S | S | * | * | | | trans | 64.6 | 92.3 | 165.2 | -164.7 | 0 | 0 | 0 | 0 | 119.3 | I36 | I36-V38 HydrophobicContact CG2-CG2 4.5Š|
| 39 | S | 24.6 | Very low | 29.3 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | | | trans | 69.3 | 121.8 | 130.1 | -54.1 | 0 | 0 | 0 | 0 | 124.5 | | |
| 40 | S | 24.1 | Very low | 29 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | | | | 76.3 | 164.4 | 128.4 | -60.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 41 | I | 28.4 | Very low | 29.1 | Very low | 160 Ų | 160 | 132 Ų | 132 | 82% | 0.821 | 75% | 0.748 | S | S | * | * | | | trans | 73.7 | 106.1 | 174.5 | -49.6 | 170.5 | 0 | 0 | 0 | 112.3 | | |
| 42 | S | 26.4 | Very low | 28.9 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | | | cis | 88.6 | 133.9 | 45.5 | -173.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 43 | T | 25.7 | Very low | 28.8 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | | | trans | 66.6 | 116.4 | 152.4 | 35.7 | 0 | 0 | 0 | 0 | 121.2 | | |
| 44 | H | 27.2 | Very low | 28.5 | Very low | 164 Ų | 164 | 134 Ų | 134 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | trans | 70.3 | 151 | 150.1 | -57.7 | -58.5 | 0 | 0 | 0 | 117.4 | | |
| 45 | N | 27.4 | Very low | 28.3 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | cis | -152.9 | 159.7 | 12.1 | -137.2 | -4.1 | 0 | 0 | 0 | 114.8 | | |
| 46 | S | 26.8 | Very low | 28.2 | Very low | 93 Ų | 93 | 131.3 Ų | 131.3 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | | | trans | 36.4 | 118.9 | 150 | 62 | 0 | 0 | 0 | 0 | 122.7 | | |
| 47 | V | 31.5 | Very low | 28.1 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | | | | -130.2 | 131.4 | 122.5 | 179.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 48 | S | 25.3 | Very low | 27.9 | Very low | 94 Ų | 94 | 132.1 Ų | 132.1 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | | | trans | -109.4 | 146.3 | -178.8 | 56.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 49 | Y | 29.2 | Very low | 27.8 | Very low | 224 Ų | 224 | 130.6 Ų | 130.6 | 88% | 0.878 | 76% | 0.76 | S | S | * | * | | | trans | -141.4 | 105.6 | 165.1 | -113.6 | -87.8 | 0 | 0 | 0 | 109.8 | | |
| 50 | N | 28.6 | Very low | 27.9 | Very low | 148 Ų | 148 | 132 Ų | 132 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -93 | 121 | 173.6 | -79.9 | -48.4 | 0 | 0 | 0 | 109.7 | | |
| 51 | P | 34.9 | Very low | 28.2 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 146.4 | 157.5 | 30.9 | -31.7 | 0 | 0 | 0 | 109.8 | | |
| 52 | P | 31.8 | Very low | 28.1 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 153.4 | -163.6 | 31.1 | -36.5 | 0 | 0 | 0 | 114.4 | | |
| 53 | K | 28.7 | Very low | 28.3 | Very low | 190 Ų | 190 | 136.3 Ų | 136.3 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 147.4 | 159.3 | -73 | -178.1 | 176.8 | 177.5 | 0 | 109.8 | | |
| 54 | N | 30.2 | Very low | 28.5 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | | | trans | 84.3 | 117.4 | 169.4 | -49.9 | -16.1 | 0 | 0 | 0 | 117.7 | | |
| 55 | G | 26.7 | Very low | 28.4 | Very low | 66 Ų | 66 | 136 Ų | 136 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | | | | 107 | 98.7 | 124.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 56 | L | 25.6 | Very low | 28.2 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | | | trans | 65.8 | 169.5 | 153.3 | -46.2 | 169 | 0 | 0 | 0 | 114.4 | | |
| 57 | I | 30 | Very low | 28.2 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | | | cis | -128.2 | 165.6 | -0.3 | -51.8 | 160.9 | 0 | 0 | 0 | 107.8 | | |
| 58 | A | 24.9 | Very low | 27.8 | Very low | 83 Ų | 83 | 136 Ų | 136 | 69% | 0.686 | 78% | 0.781 | S | S | * | * | | | trans | -65.5 | 175.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 59 | S | 26.2 | Very low | 27.8 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | | | cis | -178.1 | 178.7 | 49.7 | -39.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 60 | V | 27.2 | Very low | 27.5 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | 66.9 | 102 | 144.4 | 170.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 61 | L | 29.3 | Very low | 27.6 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | | | | -173.9 | 169.4 | 96.4 | -117.9 | 164 | 0 | 0 | 0 | 111.6 | | |
| 62 | E | 26.5 | Very low | 27.2 | Very low | 169 Ų | 169 | 137.4 Ų | 137.4 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -115 | 160.8 | -155.9 | -83.1 | 178.6 | 100.5 | 0 | 0 | 117.6 | | |
| 63 | I | 30.1 | Very low | 27 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 61% | 0.61 | 78% | 0.78 | S | S | * | * | | | trans | -25.9 | 157.1 | 162 | -6.4 | 175.9 | 0 | 0 | 0 | 117 | | |
| 64 | P | 29.9 | Very low | 26.9 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | | -133.1 | 164.7 | 92.8 | 37.6 | -28 | 0 | 0 | 0 | 115.4 | | |
| 65 | N | 25.2 | Very low | 26.8 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 69% | 0.69 | 76% | 0.764 | S | S | * | * | | | trans | -85.9 | 171.7 | -171.5 | -76.3 | -60.9 | 0 | 0 | 0 | 114.5 | | |
| 66 | S | 24.3 | Very low | 27.1 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | 60.4 | 91.9 | 154.2 | 57.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 67 | V | 26.7 | Very low | 27.2 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | | | trans | -130.7 | 132.1 | 144.1 | 179.8 | 0 | 0 | 0 | 0 | 108 | L69 | V67-L69 HydrophobicContact CG1-CD2 4.36Å; V67-L69 HydrophobicContact CG1-CG 4.33Å |
| 68 | C | 22.7 | Very low | 27.2 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | | | trans | -77.9 | 121.3 | 172.1 | -64.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 69 | L | 26.3 | Very low | 27.5 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | | | trans | -119.8 | 102.3 | 171 | -70.1 | 176.8 | 0 | 0 | 0 | 110.4 | V67 | V67-L69 HydrophobicContact CG1-CD2 4.36Å; V67-L69 HydrophobicContact CG1-CG 4.33Å |
| 70 | S | 23 | Very low | 27.5 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 128.7 | 154.9 | 45 | 0 | 0 | 0 | 0 | 109.3 | | |
| 71 | F | 28.9 | Very low | 27.7 | Very low | 205 Ų | 205 | 138.5 Ų | 138.5 | 90% | 0.899 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 123.8 | 165.8 | -85.3 | -83.7 | 0 | 0 | 0 | 109.5 | | |
| 72 | E | 27.8 | Very low | 27.6 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -80 | 168.2 | -164.8 | -68.5 | 171 | 108.1 | 0 | 0 | 113.7 | V74 | E72-V74 PolarHBondContact O-N 2.9Š|
| 73 | H | 26.3 | Very low | 27.9 | Very low | 161 Ų | 161 | 133.6 Ų | 133.6 | 75% | 0.745 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 118.3 | 166.8 | -140.8 | 48.2 | 0 | 0 | 0 | 109.1 | D75 | H73-D75 VanDerWaalsContact C-N 3.31Å; H73-D75 IonicContact CD2-OD2 2.64Å; H73-D75 PolarHBondContact CD2-OD2 3.35Å; H73-D75 PolarHBondContact O-N 2.84Å |
| 74 | V | 27.6 | Very low | 27.8 | Very low | 143 Ų | 143 | 138.5 Ų | 138.5 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | | | trans | -88.3 | 81.8 | 165.9 | -176.8 | 0 | 0 | 0 | 0 | 107.8 | E72 | E72-V74 PolarHBondContact O-N 2.9Š|
| 75 | D | 28 | Very low | 27.7 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 50% | 0.503 | 77% | 0.767 | S | S | . | * | | | trans | -69.5 | 124.6 | 174.7 | -116.3 | -38.1 | 0 | 0 | 0 | 110.4 | H73 L77 | H73-D75 VanDerWaalsContact C-N 3.31Å; H73-D75 IonicContact CD2-OD2 2.64Å; H73-D75 PolarHBondContact CD2-OD2 3.35Å; H73-D75 PolarHBondContact O-N 2.84Å; D75-L77 HydrophobicContact CB-CB 4.19Å; D75-L77 PolarHBondContact O-N 3.42Å |
| 76 | P | 32.2 | Very low | 27.8 | Very low | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -78.3 | 50.5 | 167 | 34.1 | -34.4 | 0 | 0 | 0 | 111 | L78 | P76-L78 VanDerWaalsContact C-N 3.27Å; P76-L78 PolarHBondContact O-N 2.95Å |
| 77 | L | 28.1 | Very low | 28.2 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | | | trans | -83 | 62.9 | -176.8 | -114.3 | 172.2 | 0 | 0 | 0 | 112.5 | D75 | D75-L77 HydrophobicContact CB-CB 4.19Å; D75-L77 PolarHBondContact O-N 3.42Å |
| 78 | L | 31 | Very low | 28.4 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | | | trans | -105.7 | 84 | 168.2 | -76.7 | 178.9 | 0 | 0 | 0 | 112.3 | P76 | P76-L78 VanDerWaalsContact C-N 3.27Å; P76-L78 PolarHBondContact O-N 2.95Å |
| 79 | Q | 30.2 | Very low | 28.9 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 71% | 0.71 | 78% | 0.777 | S | S | * | * | | | trans | 55.3 | 88.6 | 141.3 | -59.2 | -177.5 | 6.8 | 0 | 0 | 117.6 | T81 | Q79-T81 PolarHBondContact O-N 2.96Š|
| 80 | S | 25.4 | Very low | 29 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | | | trans | -69.2 | 101.2 | 157.2 | 57.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 81 | T | 32.4 | Very low | 29.6 | Very low | 123 Ų | 123 | 144 Ų | 144 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | -103.1 | 99.9 | 168.8 | 40.1 | 0 | 0 | 0 | 0 | 110.7 | Q79 | Q79-T81 PolarHBondContact O-N 2.96Š|
| 82 | S | 27 | Very low | 29.8 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | -83.1 | 137.6 | 171.6 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | R84 | S82-R84 PolarHBondContact OG-N 2.95Š|
| 83 | P | 33 | Very low | 29.8 | Very low | 121 Ų | 121 | 142 Ų | 142 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | | | trans | -127.8 | 101.5 | 136.4 | 33.6 | -22.9 | 0 | 0 | 0 | 112.5 | | |
| 84 | R | 27.3 | Very low | 30.2 | Very low | 223 Ų | 223 | 141.6 Ų | 141.6 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | | | | 4.7 | 152.9 | 126.1 | -172.3 | 179.5 | -174.2 | 168.4 | 2.7 | 119.3 | S82 | S82-R84 PolarHBondContact OG-N 2.95Š|
| 85 | S | 28.7 | Very low | 30.3 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | | | trans | 87.1 | 100.5 | 169.5 | -71.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 86 | T | 27.6 | Very low | 30.6 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | | 78.2 | 105.3 | 64.7 | 64.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 87 | E | 32.6 | Very low | 30.4 | Very low | 191 Ų | 191 | 146.1 Ų | 146.1 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | | | trans | -136 | 157.5 | 136.1 | -168.9 | 144.9 | -139.9 | 0 | 0 | 108.7 | | |
| 88 | K | 30.1 | Very low | 30.4 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | trans | -126.2 | 130.1 | 179.9 | -68.7 | 177.7 | 179.4 | 177.1 | 0 | 109.3 | | |
| 89 | T | 34.3 | Very low | 30.3 | Very low | 141 Ų | 141 | 143.9 Ų | 143.9 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | | | trans | -128.4 | 136.9 | 155.7 | -45.4 | 0 | 0 | 0 | 0 | 108 | | |
| 90 | I | 28.4 | Very low | 30.1 | Very low | 137 Ų | 137 | 146.4 Ų | 146.4 | 70% | 0.703 | 80% | 0.795 | S | S | * | * | | | trans | -120.2 | -163.8 | -171.5 | -30.2 | -179.1 | 0 | 0 | 0 | 108.4 | | |
| 91 | P | 35.3 | Very low | 30.2 | Very low | 108 Ų | 108 | 146 Ų | 146 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | | -106.3 | 169.3 | -119.7 | 41.2 | -28.2 | 0 | 0 | 0 | 115.1 | | |
| 92 | Q | 33.3 | Very low | 30 | Very low | 181 Ų | 181 | 148.7 Ų | 148.7 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | | | | -164.4 | 133.1 | 125.4 | -102 | 158.7 | -5.2 | 0 | 0 | 107.5 | | |
| 93 | D | 27.6 | Very low | 30.2 | Very low | 151 Ų | 151 | 151.5 Ų | 151.5 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | | | | 62 | 96.5 | 64.7 | -111.9 | -21.9 | 0 | 0 | 0 | 113.2 | | |
| 94 | E | 34.1 | Very low | 30.1 | Very low | 151 Ų | 151 | 153.4 Ų | 153.4 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | | -164 | 135.3 | 116.9 | -103.5 | -167 | 148.3 | 0 | 0 | 114 | | |
| 95 | K | 30.3 | Very low | 30.2 | Very low | 150 Ų | 150 | 146.9 Ų | 146.9 | 65% | 0.652 | 78% | 0.778 | S | S | * | * | | | trans | 18.7 | 128 | 142.1 | -55 | 155.6 | -169.5 | 165.4 | 0 | 118.4 | | |
| 96 | H | 34.5 | Very low | 30.1 | Very low | 192 Ų | 192 | 151.1 Ų | 151.1 | 89% | 0.889 | 79% | 0.787 | S | S | * | * | | | | -167.3 | 150.7 | 101.7 | -102.8 | -71.8 | 0 | 0 | 0 | 112.1 | | |
| 97 | S | 27.1 | Very low | 30.2 | Very low | 116 Ų | 116 | 153.3 Ų | 153.3 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | trans | -126.9 | 149.6 | -176.3 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 98 | G | 27.9 | Very low | 30 | Very low | 72 Ų | 72 | 148.8 Ų | 148.8 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | 98.6 | 154.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 99 | L | 28.9 | Very low | 29.8 | Very low | 169 Ų | 169 | 145.9 Ų | 145.9 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | | | cis | -134.5 | 153.8 | 2.4 | -79.3 | 89.8 | 0 | 0 | 0 | 112.2 | | |
| 100 | F | 25.9 | Very low | 29.6 | Very low | 204 Ų | 204 | 145.8 Ų | 145.8 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | | | trans | -71.8 | 135.8 | 151.8 | -86.6 | -110.6 | 0 | 0 | 0 | 109.6 | | |
| 101 | T | 27.8 | Very low | 29.7 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | | | | -176.7 | 136.3 | 122.9 | 26.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 102 | K | 28 | Very low | 29.4 | Very low | 179 Ų | 179 | 145.3 Ų | 145.3 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | | | trans | 40.8 | 103.3 | 139.9 | -62.6 | 173.7 | 178.7 | 173.2 | 0 | 120.9 | | |
| 103 | I | 32.5 | Very low | 29.3 | Very low | 171 Ų | 171 | 144.4 Ų | 144.4 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | | | | -138.6 | 99.3 | 128.7 | -54.2 | 177.2 | 0 | 0 | 0 | 103.5 | | |
| 104 | K | 30.3 | Very low | 29.2 | Very low | 160 Ų | 160 | 145 Ų | 145 | 70% | 0.696 | 79% | 0.785 | S | S | * | * | | | | 55.6 | 83.3 | 50.5 | -115.4 | -143.3 | 171 | -150.2 | 0 | 113.6 | | |
| 105 | S | 28.4 | Very low | 28.9 | Very low | 87 Ų | 87 | 144.4 Ų | 144.4 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | | | trans | 18.6 | 114.7 | 134.5 | 58.9 | 0 | 0 | 0 | 0 | 117.7 | | |
| 106 | E | 27.3 | Very low | 28.9 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | trans | -172.6 | 103.4 | 133.8 | -103.3 | 152 | -126.7 | 0 | 0 | 110.1 | | |
| 107 | L | 29.3 | Very low | 28.6 | Very low | 177 Ų | 177 | 144.1 Ų | 144.1 | 93% | 0.927 | 80% | 0.795 | S | S | * | * | | | trans | -129.9 | 124.4 | 151.9 | -102.4 | 173.4 | 0 | 0 | 0 | 105.9 | | |
| 108 | S | 27.9 | Very low | 28.7 | Very low | 95 Ų | 95 | 144.6 Ų | 144.6 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | | | trans | -75.3 | 147 | -158.7 | -178.2 | 0 | 0 | 0 | 0 | 113.4 | D110 | S108-D110 PolarHBondContact OG-N 3.47Å; S108-D110 VanDerWaalsContact OG-N 3.07Å |
| 109 | S | 27.4 | Very low | 28.9 | Very low | 120 Ų | 120 | 148.6 Ų | 148.6 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -132 | 39.3 | 162.3 | 36.7 | 0 | 0 | 0 | 0 | 110.8 | N111 | S109-N111 PolarHBondContact O-N 2.79Š|
| 110 | D | 28.9 | Very low | 29 | Very low | 139 Ų | 139 | 147.4 Ų | 147.4 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | | | trans | -92.1 | 92.9 | 173.6 | -75 | -56 | 0 | 0 | 0 | 111.6 | S108 | S108-D110 PolarHBondContact OG-N 3.47Å; S108-D110 VanDerWaalsContact OG-N 3.07Å |
| 111 | N | 32 | Very low | 29.2 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 91% | 0.914 | 78% | 0.78 | S | S | * | * | | | trans | 172.9 | 116.5 | 155.1 | -92 | -34.9 | 0 | 0 | 0 | 106.4 | S109 | S109-N111 PolarHBondContact O-N 2.79Š|
| 112 | G | 28.1 | Very low | 29.5 | Very low | 63 Ų | 63 | 150 Ų | 150 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | | | cis | 159 | 157.9 | 1.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 113 | L | 30.2 | Very low | 29.4 | Very low | 163 Ų | 163 | 151.5 Ų | 151.5 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | 68.7 | 107.7 | -173.8 | -49.7 | 170.3 | 0 | 0 | 0 | 112.8 | | |
| 114 | E | 27.5 | Very low | 29.3 | Very low | 162 Ų | 162 | 146.7 Ų | 146.7 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | | | | 60.8 | 100.5 | 55.2 | -56.6 | -154.6 | 124.1 | 0 | 0 | 112.3 | | |
| 115 | L | 26.1 | Very low | 29.3 | Very low | 140 Ų | 140 | 147 Ų | 147 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | | | | 88.5 | 113.8 | 85.5 | -80.4 | 172.4 | 0 | 0 | 0 | 113 | | |
| 116 | T | 31.1 | Very low | 29.4 | Very low | 150 Ų | 150 | 154.4 Ų | 154.4 | 92% | 0.92 | 82% | 0.815 | S | S | * | * | | | | -155.6 | 123.3 | 129.2 | 4.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 117 | K | 29 | Very low | 29.7 | Very low | 185 Ų | 185 | 151.4 Ų | 151.4 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | trans | -134.7 | 143.8 | 175.2 | -148.7 | -178 | -170.6 | -178.6 | 0 | 106.6 | | |
| 118 | N | 28.9 | Very low | 29.8 | Very low | 126 Ų | 126 | 150.7 Ų | 150.7 | 67% | 0.674 | 81% | 0.806 | S | S | * | * | | | trans | 69.3 | 152 | -174.1 | -58.3 | 23.8 | 0 | 0 | 0 | 113.4 | | |
| 119 | E | 30.9 | Very low | 29.8 | Very low | 157 Ų | 157 | 153.9 Ų | 153.9 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | | | cis | -149.1 | 137.6 | -1.2 | -136.1 | 157.3 | 131.5 | 0 | 0 | 111.5 | | |
| 120 | N | 32.4 | Very low | 30.2 | Very low | 143 Ų | 143 | 154.1 Ų | 154.1 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | | | trans | 157.7 | 136.9 | 141.3 | -88.6 | -59.6 | 0 | 0 | 0 | 110.4 | | |
| 121 | Q | 29.4 | Very low | 30.5 | Very low | 184 Ų | 184 | 152.1 Ų | 152.1 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | 48.6 | 120.4 | 159 | -63.1 | 170.8 | -31.5 | 0 | 0 | 116.8 | | |
| 122 | E | 33.2 | Very low | 30.5 | Very low | 195 Ų | 195 | 152.7 Ų | 152.7 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | | | cis | -146.6 | -169.1 | 41 | -66.8 | -175.5 | 125 | 0 | 0 | 113 | | |
| 123 | Q | 26.1 | Very low | 30.9 | Very low | 209 Ų | 209 | 152 Ų | 152 | 98% | 0.977 | 80% | 0.798 | S | S | * | * | | | trans | -83.5 | 127.1 | -176.6 | -65 | 168 | -101.7 | 0 | 0 | 112.4 | | |
| 124 | G | 30.4 | Very low | 31.5 | Very low | 71 Ų | 71 | 149.9 Ų | 149.9 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | | | trans | -156.9 | 153.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 125 | D | 30.3 | Very low | 33 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 146.9 | -170 | -71.8 | -66.9 | 0 | 0 | 0 | 114.9 | P127 | D125-P127 WeakPolarHBondContact O-CD 3.47Š|
| 126 | R | 30.7 | Very low | 34.4 | Very low | 242 Ų | 242 | 148 Ų | 148 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 124.8 | 174.2 | -70 | -174.6 | 177.5 | -164.2 | -0.5 | 110.9 | | |
| 127 | P | 33.5 | Very low | 36.2 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 143.8 | 163.5 | 30.1 | -33.3 | 0 | 0 | 0 | 110.2 | D125 | D125-P127 WeakPolarHBondContact O-CD 3.47Š|
| 128 | M | 30.8 | Very low | 38.2 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 79% | 0.793 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 131.1 | 168.7 | -81.3 | -83.8 | -69.2 | 0 | 0 | 109.5 | L130 | M128-L130 PolarHBondContact O-N 3.46Å; M128-L130 VanDerWaalsContact O-N 3.15Å |
| 129 | D | 29.8 | Very low | 40.2 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 87% | 0.872 | 73% | 0.728 | S | S | * | * | | | trans | -63 | 113.2 | 171.5 | -68 | -58.9 | 0 | 0 | 0 | 110.5 | | |
| 130 | L | 34.2 | Very low | 41.9 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 65% | 0.654 | 71% | 0.712 | S | S | * | * | | | trans | -72.5 | 145 | 166.5 | -79.7 | 88.7 | 0 | 0 | 0 | 109.6 | M128 N132 L162 | M128-L130 PolarHBondContact O-N 3.46Å; M128-L130 VanDerWaalsContact O-N 3.15Å; L130-N132 PolarHBondContact O-N 3.28Å; L130-N132 VanDerWaalsContact O-N 3.14Å; L130-L162 HydrophobicContact CD2-CD2 4.08Å |
| 131 | P | 35.7 | Very low | 43.2 | Very low | 96 Ų | 96 | 133.5 Ų | 133.5 | 62% | 0.623 | 71% | 0.707 | S | S | * | * | | | trans | -61.5 | 119.7 | 177.3 | 25.6 | -33.8 | 0 | 0 | 0 | 110.4 | G133 | P131-G133 PolarHBondContact O-N 3.27Š|
| 132 | N | 31.4 | Very low | 44.7 | Very low | 183 Ų | 183 | 127 Ų | 127 | 98% | 0.979 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -75.3 | 88.5 | -172.2 | -140.8 | -5.8 | 0 | 0 | 0 | 110.3 | L130 | L130-N132 PolarHBondContact O-N 3.28Å; L130-N132 VanDerWaalsContact O-N 3.14Å |
| 133 | G | 37.3 | Very low | 45.8 | Very low | 50 Ų | 50 | 124.7 Ų | 124.7 | 52% | 0.515 | 67% | 0.672 | S | S | . | * | | | trans | -164.9 | 74.6 | -173 | 0 | 0 | 0 | 0 | 0 | 111.8 | P131 K135 | P131-G133 PolarHBondContact O-N 3.27Å; G133-K135 VanDerWaalsContact C-N 3.28Å; G133-K135 PolarHBondContact O-N 3.46Å |
| 134 | S | 43.1 | Very low | 47.3 | Very low | 118 Ų | 118 | 118.3 Ų | 118.3 | 83% | 0.825 | 66% | 0.663 | S | S | * | * | | | trans | -70.8 | 74.3 | -175.5 | 59.5 | 0 | 0 | 0 | 0 | 113 | Q136 | S134-Q136 PolarHBondContact O-N 3.48Å; S134-Q136 VanDerWaalsContact O-N 3.08Å |
| 135 | K | 58.6 | Low | 48.3 | Very low | 91 Ų | 91 | 121.4 Ų | 121.4 | 40% | 0.396 | 66% | 0.656 | S | S | . | * | | | trans | -63.1 | 107.1 | 166 | -71 | -176.1 | 179.1 | -179.8 | 0 | 109.2 | G133 Y137 D155 E158 | G133-K135 VanDerWaalsContact C-N 3.28Å; G133-K135 PolarHBondContact O-N 3.46Å; K135-Y137 WeakPolarHBondContact O-CD2 3.43Å; K135-Y137 VanDerWaalsContact O-CE2 3.3Å; K135-Y137 WeakPolarHBondContact O-CE2 3.4Å; K135-Y137 PolarHBondContact O-N 2.92Å; K135-D155 WeakPolarHBondContact CD-OD1 3.46Å; K135-D155 WeakPolarHBondContact CE-OD1 3.27Å; K135-D155 IonicContact NZ-OD1 2.6Å; K135-D155 PolarHBondContact NZ-OD1 3.36Å; K135-E158 WeakPolarHBondContact CD-OE2 3.32Å; K135-E158 VanDerWaalsContact CE-OE2 3.23Å; K135-E158 WeakPolarHBondContact CE-OE2 3.44Å; K135-E158 IonicContact NZ-OE2 2.71Å; K135-E158 PolarHBondContact NZ-OE2 3.45Å |
| 136 | Q | 54.9 | Low | 50 | Low | 170 Ų | 170 | 115.9 Ų | 115.9 | 79% | 0.794 | 63% | 0.633 | S | S | * | * | | | trans | -67.5 | 124.8 | 169.5 | -71.5 | 174.6 | -27.5 | 0 | 0 | 109.6 | S134 | S134-Q136 PolarHBondContact O-N 3.48Å; S134-Q136 VanDerWaalsContact O-N 3.08Å |
| 137 | Y | 70.6 | Confident | 52 | Low | 53 Ų | 53 | 107.9 Ų | 107.9 | 21% | 0.208 | 61% | 0.608 | C | S | . | * | | | trans | -96.5 | 121.6 | 170 | -52.5 | -81.9 | 0 | 0 | 0 | 107.4 | K135 E139 F150 D155 F159 | K135-Y137 WeakPolarHBondContact O-CD2 3.43Å; K135-Y137 VanDerWaalsContact O-CE2 3.3Å; K135-Y137 WeakPolarHBondContact O-CE2 3.4Å; K135-Y137 PolarHBondContact O-N 2.92Å; Y137-E139 PolarHBondContact O-N 3.1Å; Y137-F150 AromaticContact CD1-CD1 3.43Å; Y137-F150 HydrophobicContact CD1-CD1 3.43Å; Y137-F150 VanDerWaalsContact CD1-CD1 3.43Å; Y137-F150 AromaticContact CD1-CE1 3.46Å; Y137-F150 HydrophobicContact CD1-CE1 3.46Å; Y137-F150 VanDerWaalsContact CD1-CE1 3.46Å; Y137-F150 AromaticContact CE1-CD1 3.63Å; Y137-F150 HydrophobicContact CE1-CD1 3.63Å; Y137-F150 AromaticContact CE1-CE1 3.67Å; Y137-F150 HydrophobicContact CE1-CE1 3.67Å; Y137-F150 HydrophobicContact CG-CE1 4.22Å; Y137-D155 HydrophobicContact CE1-CB 4.11Å; Y137-F159 HydrophobicContact CD2-CD2 4.01Å; Y137-F159 HydrophobicContact CE1-CB 4.04Å; Y137-F159 HydrophobicContact CE1-CD2 4.49Å; Y137-F159 HydrophobicContact CE2-CB 4.46Å; Y137-F159 AromaticContact CE2-CD2 3.77Å; Y137-F159 HydrophobicContact CE2-CD2 3.77Å; Y137-F159 HydrophobicContact CG-CD2 4.49Å |
| 138 | N | 69.2 | Low | 54.4 | Low | 97 Ų | 97 | 105.1 Ų | 105.1 | 52% | 0.519 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.8 | 113.7 | 179.8 | -68.5 | 36.2 | 0 | 0 | 0 | 108.8 | S149 | N138-S149 WeakPolarHBondContact CB-OG 3.34Å; N138-S149 PolarHBondContact O-N 3.29Å; N138-S149 PolarHBondContact O-OG 3.36Å |
| 139 | E | 71 | Confident | 56.5 | Low | 114 Ų | 114 | 100 Ų | 100 | 53% | 0.533 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.2 | 134.2 | 166.7 | -170.8 | 174.8 | 147 | 0 | 0 | 109.8 | Y137 A146 L148 | Y137-E139 PolarHBondContact O-N 3.1Å; E139-A146 HydrophobicContact CG-CB 4.06Å; E139-A146 WeakPolarHBondContact OE1-CB 3.37Å; E139-L148 HydrophobicContact CB-CD2 4.29Å |
| 140 | V | 67.5 | Low | 59 | Low | 68 Ų | 68 | 95.4 Ų | 95.4 | 41% | 0.412 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 114 | 176.4 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | I142 I147 | V140-I142 HydrophobicContact CG1-CD1 4.2Å; V140-I142 HydrophobicContact CG1-CG1 3.94Å; V140-I147 PolarHBondContact N-O 3.06Å; V140-I147 WeakPolarHBondContact O-CB 3.36Å; V140-I147 PolarHBondContact O-N 2.99Å |
| 141 | L | 60.7 | Low | 61 | Low | 125 Ų | 125 | 98.3 Ų | 98.3 | 65% | 0.654 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 121.1 | 174.8 | -68 | 167.7 | 0 | 0 | 0 | 110 | F145 A146 | L141-F145 WeakPolarHBondContact CA-O 3.43Å; L141-A146 HydrophobicContact CD2-CB 4.2Å |
| 142 | I | 59.6 | Low | 62.9 | Low | 49 Ų | 49 | 97.1 Ų | 97.1 | 25% | 0.251 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 123.2 | 174.9 | -51.7 | -172.3 | 0 | 0 | 0 | 109 | V140 G144 F145 I147 | V140-I142 HydrophobicContact CG1-CD1 4.2Å; V140-I142 HydrophobicContact CG1-CG1 3.94Å; I142-G144 PolarHBondContact O-N 2.96Å; I142-G144 VanDerWaalsContact O-N 3.12Å; I142-F145 PolarHBondContact N-O 3.3Å; I142-F145 WeakPolarHBondContact O-CB 3.44Å; I142-F145 PolarHBondContact O-N 3.44Å; I142-I147 HydrophobicContact CB-CD1 4.31Å; I142-I147 HydrophobicContact CD1-CD1 3.92Å; I142-I147 HydrophobicContact CG1-CD1 4.15Å |
| 143 | D | 57.4 | Low | 64.8 | Low | 145 Ų | 145 | 94.3 Ų | 94.3 | 78% | 0.775 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 35.9 | -178.3 | -63.3 | -17.4 | 0 | 0 | 0 | 114 | F145 | D143-F145 WeakPolarHBondContact O-CD2 3.49Š|
| 144 | G | 56.1 | Low | 66.6 | Low | 76 Ų | 76 | 97.1 Ų | 97.1 | 78% | 0.784 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 2.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | I142 | I142-G144 PolarHBondContact O-N 2.96Å; I142-G144 VanDerWaalsContact O-N 3.12Å |
| 145 | F | 52.9 | Low | 68 | Low | 136 Ų | 136 | 92.2 Ų | 92.2 | 60% | 0.596 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125 | 176.1 | -63.4 | -86.4 | 0 | 0 | 0 | 111.7 | L141 I142 D143 | L141-F145 WeakPolarHBondContact CA-O 3.43Å; I142-F145 PolarHBondContact N-O 3.3Å; I142-F145 WeakPolarHBondContact O-CB 3.44Å; I142-F145 PolarHBondContact O-N 3.44Å; D143-F145 WeakPolarHBondContact O-CD2 3.49Å |
| 146 | A | 64.7 | Low | 68.9 | Low | 50 Ų | 50 | 90.7 Ų | 90.7 | 41% | 0.413 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 123.2 | 167 | 0 | 0 | 0 | 0 | 0 | 111.2 | E139 L141 | E139-A146 HydrophobicContact CG-CB 4.06Å; E139-A146 WeakPolarHBondContact OE1-CB 3.37Å; L141-A146 HydrophobicContact CD2-CB 4.2Å |
| 147 | I | 74 | Confident | 69.8 | Low | 74 Ų | 74 | 86.3 Ų | 86.3 | 38% | 0.379 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 103.3 | 174.5 | -54.1 | -179.1 | 0 | 0 | 0 | 109.3 | V140 I142 S149 | V140-I147 PolarHBondContact N-O 3.06Å; V140-I147 WeakPolarHBondContact O-CB 3.36Å; V140-I147 PolarHBondContact O-N 2.99Å; I142-I147 HydrophobicContact CB-CD1 4.31Å; I142-I147 HydrophobicContact CD1-CD1 3.92Å; I142-I147 HydrophobicContact CG1-CD1 4.15Å; I147-S149 PolarHBondContact O-N 3.14Å |
| 148 | L | 82.1 | Confident | 70.1 | Confident | 64 Ų | 64 | 86.6 Ų | 86.6 | 34% | 0.335 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 125.1 | 168 | -67.9 | 171.2 | 0 | 0 | 0 | 110.1 | E139 F150 F159 | E139-L148 HydrophobicContact CB-CD2 4.29Å; L148-F150 HydrophobicContact CB-CE2 4.05Å; L148-F150 HydrophobicContact CB-CZ 3.94Å; L148-F150 HydrophobicContact CD1-CZ 4.46Å; L148-F159 HydrophobicContact CD1-CE1 3.97Å; L148-F159 HydrophobicContact CD1-CE2 3.85Å; L148-F159 HydrophobicContact CD1-CZ 3.42Å; L148-F159 VanDerWaalsContact CD1-CZ 3.42Å |
| 149 | S | 76.6 | Confident | 70.5 | Confident | 52 Ų | 52 | 84.9 Ų | 84.9 | 36% | 0.364 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 130.6 | 176.3 | 64.8 | 0 | 0 | 0 | 0 | 111.9 | N138 I147 | N138-S149 WeakPolarHBondContact CB-OG 3.34Å; N138-S149 PolarHBondContact O-N 3.29Å; N138-S149 PolarHBondContact O-OG 3.36Å; I147-S149 PolarHBondContact O-N 3.14Å |
| 150 | F | 80.9 | Confident | 70.6 | Confident | 68 Ų | 68 | 80.8 Ų | 80.8 | 30% | 0.298 | 44% | 0.438 | S | S | . | . | | | trans | -110.1 | 135.1 | -178.1 | -57 | -79.9 | 0 | 0 | 0 | 109.3 | Y137 L148 D155 M156 F159 | Y137-F150 AromaticContact CD1-CD1 3.43Å; Y137-F150 HydrophobicContact CD1-CD1 3.43Å; Y137-F150 VanDerWaalsContact CD1-CD1 3.43Å; Y137-F150 AromaticContact CD1-CE1 3.46Å; Y137-F150 HydrophobicContact CD1-CE1 3.46Å; Y137-F150 VanDerWaalsContact CD1-CE1 3.46Å; Y137-F150 AromaticContact CE1-CD1 3.63Å; Y137-F150 HydrophobicContact CE1-CD1 3.63Å; Y137-F150 AromaticContact CE1-CE1 3.67Å; Y137-F150 HydrophobicContact CE1-CE1 3.67Å; Y137-F150 HydrophobicContact CG-CE1 4.22Å; L148-F150 HydrophobicContact CB-CE2 4.05Å; L148-F150 HydrophobicContact CB-CZ 3.94Å; L148-F150 HydrophobicContact CD1-CZ 4.46Å; F150-D155 HydrophobicContact CB-CB 4.29Å; F150-D155 HydrophobicContact CD1-CB 4.25Å; F150-M156 HydrophobicContact CB-CB 4.23Å; F150-M156 HydrophobicContact CD1-CB 4.08Å; F150-M156 HydrophobicContact CD2-CB 4.14Å; F150-M156 HydrophobicContact CD2-CG 4.08Å; F150-M156 HydrophobicContact CE2-CG 4.19Å; F150-M156 HydrophobicContact CG-CB 3.87Å; F150-M156 HydrophobicContact CG-CG 4.31Å; F150-F159 HydrophobicContact CD1-CB 4.45Å; F150-F159 HydrophobicContact CE1-CB 3.55Å; F150-F159 HydrophobicContact CE1-CD1 4.11Å; F150-F159 HydrophobicContact CE1-CD2 4.2Å; F150-F159 AromaticContact CE1-CG 3.69Å; F150-F159 HydrophobicContact CE1-CG 3.69Å; F150-F159 HydrophobicContact CZ-CB 4.2Å; F150-F159 AromaticContact CZ-CD1 3.88Å; F150-F159 HydrophobicContact CZ-CD1 3.88Å; F150-F159 HydrophobicContact CZ-CE1 4.44Å; F150-F159 AromaticContact CZ-CG 3.94Å; F150-F159 HydrophobicContact CZ-CG 3.94Å |
| 151 | K | 76 | Confident | 71 | Confident | 185 Ų | 185 | 84 Ų | 84 | 80% | 0.804 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -77 | -33.5 | -179.9 | -66.3 | 173.5 | -177.9 | 168.6 | 0 | 111.4 | D155 | K151-D155 WeakPolarHBondContact CB-OD2 3.42Å; K151-D155 PolarHBondContact N-OD2 3.13Å |
| 152 | T | 77.1 | Confident | 71.7 | Confident | 71 Ų | 71 | 80.7 Ų | 80.7 | 44% | 0.436 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -133.5 | 168.3 | -179.2 | 68.6 | 0 | 0 | 0 | 0 | 112.1 | D154 D155 | T152-D154 VanDerWaalsContact C-N 3.27Å; T152-D154 PolarHBondContact OG1-N 2.86Å; T152-D155 WeakPolarHBondContact CB-OD2 3.32Å; T152-D155 PolarHBondContact N-OD2 3.46Å; T152-D155 PolarHBondContact OG1-N 2.9Å; T152-D155 VanDerWaalsContact OG1-N 3.08Å; T152-D155 PolarHBondContact OG1-OD1 3.24Å; T152-D155 PolarHBondContact OG1-OD2 3.12Å |
| 153 | M | 71.2 | Confident | 72.3 | Confident | 125 Ų | 125 | 80.1 Ų | 80.1 | 62% | 0.616 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.9 | -34.4 | 170.7 | -172.5 | 65.1 | 61.6 | 0 | 0 | 111.4 | M156 L157 | M153-M156 WeakPolarHBondContact O-CB 3.05Å; M153-M156 PolarHBondContact O-N 3.46Å; M153-M156 HydrophobicContact SD-CE 3.59Å; M153-M156 VanDerWaalsContact SD-CE 3.59Å; M153-L157 HydrophobicContact CG-CD1 4.29Å; M153-L157 WeakPolarHBondContact O-CG 3.05Å; M153-L157 PolarHBondContact O-N 3.46Å |
| 154 | D | 73.8 | Confident | 72.7 | Confident | 108 Ų | 108 | 75.5 Ų | 75.5 | 58% | 0.578 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -69 | -37.4 | -179.4 | -60.2 | -62.4 | 0 | 0 | 0 | 111.6 | T152 M156 L157 E158 | T152-D154 VanDerWaalsContact C-N 3.27Å; T152-D154 PolarHBondContact OG1-N 2.86Å; D154-M156 VanDerWaalsContact C-N 3.27Å; D154-M156 PolarHBondContact O-N 3.29Å; D154-L157 CarbonylContact O-C 3.58Å; D154-L157 PolarHBondContact O-N 3.47Å; D154-L157 VanDerWaalsContact O-N 3.17Å; D154-E158 WeakPolarHBondContact O-CB 3.31Å; D154-E158 PolarHBondContact O-N 3.32Å |
| 155 | D | 74.2 | Confident | 73.4 | Confident | 16 Ų | 16 | 77.5 Ų | 77.5 | 9% | 0.086 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.6 | -38.6 | 172.4 | -55.1 | -38.7 | 0 | 0 | 0 | 111.7 | K135 Y137 F150 K151 T152 F159 | K135-D155 WeakPolarHBondContact CD-OD1 3.46Å; K135-D155 WeakPolarHBondContact CE-OD1 3.27Å; K135-D155 IonicContact NZ-OD1 2.6Å; K135-D155 PolarHBondContact NZ-OD1 3.36Å; Y137-D155 HydrophobicContact CE1-CB 4.11Å; F150-D155 HydrophobicContact CB-CB 4.29Å; F150-D155 HydrophobicContact CD1-CB 4.25Å; K151-D155 WeakPolarHBondContact CB-OD2 3.42Å; K151-D155 PolarHBondContact N-OD2 3.13Å; T152-D155 WeakPolarHBondContact CB-OD2 3.32Å; T152-D155 PolarHBondContact N-OD2 3.46Å; T152-D155 PolarHBondContact OG1-N 2.9Å; T152-D155 VanDerWaalsContact OG1-N 3.08Å; T152-D155 PolarHBondContact OG1-OD1 3.24Å; T152-D155 PolarHBondContact OG1-OD2 3.12Å; D155-F159 WeakPolarHBondContact O-CB 3.33Å; D155-F159 PolarHBondContact O-N 3.3Å |
| 156 | M | 75.7 | Confident | 73.9 | Confident | 58 Ų | 58 | 78.8 Ų | 78.8 | 29% | 0.286 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70.9 | -38.2 | 176.1 | -171.2 | -160.4 | 73 | 0 | 0 | 111.7 | F150 M153 D154 T160 | F150-M156 HydrophobicContact CB-CB 4.23Å; F150-M156 HydrophobicContact CD1-CB 4.08Å; F150-M156 HydrophobicContact CD2-CB 4.14Å; F150-M156 HydrophobicContact CD2-CG 4.08Å; F150-M156 HydrophobicContact CE2-CG 4.19Å; F150-M156 HydrophobicContact CG-CB 3.87Å; F150-M156 HydrophobicContact CG-CG 4.31Å; M153-M156 WeakPolarHBondContact O-CB 3.05Å; M153-M156 PolarHBondContact O-N 3.46Å; M153-M156 HydrophobicContact SD-CE 3.59Å; M153-M156 VanDerWaalsContact SD-CE 3.59Å; D154-M156 VanDerWaalsContact C-N 3.27Å; D154-M156 PolarHBondContact O-N 3.29Å; M156-T160 WeakPolarHBondContact O-CB 3.42Å; M156-T160 PolarHBondContact O-N 3.16Å; M156-T160 PolarHBondContact O-OG1 2.71Å |
| 157 | L | 75.6 | Confident | 73.4 | Confident | 78 Ų | 78 | 79.7 Ų | 79.7 | 41% | 0.408 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -70 | -33.4 | 175.3 | -70.9 | 171.7 | 0 | 0 | 0 | 112.1 | M153 D154 T160 K161 | M153-L157 HydrophobicContact CG-CD1 4.29Å; M153-L157 WeakPolarHBondContact O-CG 3.05Å; M153-L157 PolarHBondContact O-N 3.46Å; D154-L157 CarbonylContact O-C 3.58Å; D154-L157 PolarHBondContact O-N 3.47Å; D154-L157 VanDerWaalsContact O-N 3.17Å; L157-T160 PolarHBondContact O-N 3.14Å; L157-K161 VanDerWaalsContact O-CG 3.26Å; L157-K161 WeakPolarHBondContact O-CG 3.47Å; L157-K161 PolarHBondContact O-N 3.35Å |
| 158 | E | 75.5 | Confident | 72.3 | Confident | 60 Ų | 60 | 80.9 Ų | 80.9 | 28% | 0.28 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.5 | -47.9 | 175 | -173.9 | 166.2 | -154.7 | 0 | 0 | 111.1 | K135 D154 T160 K161 L162 | K135-E158 WeakPolarHBondContact CD-OE2 3.32Å; K135-E158 VanDerWaalsContact CE-OE2 3.23Å; K135-E158 WeakPolarHBondContact CE-OE2 3.44Å; K135-E158 IonicContact NZ-OE2 2.71Å; K135-E158 PolarHBondContact NZ-OE2 3.45Å; D154-E158 WeakPolarHBondContact O-CB 3.31Å; D154-E158 PolarHBondContact O-N 3.32Å; E158-T160 VanDerWaalsContact C-N 3.27Å; E158-T160 PolarHBondContact O-N 3.38Å; E158-K161 PolarHBondContact O-N 2.97Å; E158-L162 HydrophobicContact CG-CD1 4.38Å; E158-L162 VanDerWaalsContact O-CG 3.32Å; E158-L162 WeakPolarHBondContact O-CG 3.5Å; E158-L162 PolarHBondContact O-N 3.3Å |
| 159 | F | 77.9 | Confident | 70.7 | Confident | 61 Ų | 61 | 81 Ų | 81 | 27% | 0.268 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -56.1 | -41.7 | 168.8 | -177.1 | -92.6 | 0 | 0 | 0 | 112.1 | Y137 L148 F150 D155 L162 S163 | Y137-F159 HydrophobicContact CD2-CD2 4.01Å; Y137-F159 HydrophobicContact CE1-CB 4.04Å; Y137-F159 HydrophobicContact CE1-CD2 4.49Å; Y137-F159 HydrophobicContact CE2-CB 4.46Å; Y137-F159 AromaticContact CE2-CD2 3.77Å; Y137-F159 HydrophobicContact CE2-CD2 3.77Å; Y137-F159 HydrophobicContact CG-CD2 4.49Å; L148-F159 HydrophobicContact CD1-CE1 3.97Å; L148-F159 HydrophobicContact CD1-CE2 3.85Å; L148-F159 HydrophobicContact CD1-CZ 3.42Å; L148-F159 VanDerWaalsContact CD1-CZ 3.42Å; F150-F159 HydrophobicContact CD1-CB 4.45Å; F150-F159 HydrophobicContact CE1-CB 3.55Å; F150-F159 HydrophobicContact CE1-CD1 4.11Å; F150-F159 HydrophobicContact CE1-CD2 4.2Å; F150-F159 AromaticContact CE1-CG 3.69Å; F150-F159 HydrophobicContact CE1-CG 3.69Å; F150-F159 HydrophobicContact CZ-CB 4.2Å; F150-F159 AromaticContact CZ-CD1 3.88Å; F150-F159 HydrophobicContact CZ-CD1 3.88Å; F150-F159 HydrophobicContact CZ-CE1 4.44Å; F150-F159 AromaticContact CZ-CG 3.94Å; F150-F159 HydrophobicContact CZ-CG 3.94Å; D155-F159 WeakPolarHBondContact O-CB 3.33Å; D155-F159 PolarHBondContact O-N 3.3Å; F159-L162 PolarHBondContact O-N 3.33Å; F159-S163 PolarHBondContact O-N 2.94Å; F159-S163 PolarHBondContact O-OG 3.3Å |
| 160 | T | 73.2 | Confident | 69.6 | Low | 27 Ų | 27 | 81 Ų | 81 | 17% | 0.166 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.7 | -50.6 | 175.6 | -56.6 | 0 | 0 | 0 | 0 | 110.5 | M156 L157 E158 L162 S163 E164 | M156-T160 WeakPolarHBondContact O-CB 3.42Å; M156-T160 PolarHBondContact O-N 3.16Å; M156-T160 PolarHBondContact O-OG1 2.71Å; L157-T160 PolarHBondContact O-N 3.14Å; E158-T160 VanDerWaalsContact C-N 3.27Å; E158-T160 PolarHBondContact O-N 3.38Å; T160-L162 VanDerWaalsContact C-N 3.33Å; T160-L162 PolarHBondContact O-N 3.49Å; T160-S163 PolarHBondContact O-N 2.87Å; T160-S163 PolarHBondContact O-OG 3.44Å; T160-E164 HydrophobicContact CG2-CG 4.37Å; T160-E164 WeakPolarHBondContact O-CB 3.47Å; T160-E164 WeakPolarHBondContact O-CG 3.22Å; T160-E164 PolarHBondContact O-N 2.95Å |
| 161 | K | 75.7 | Confident | 68 | Low | 135 Ų | 135 | 80.6 Ų | 80.6 | 59% | 0.587 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -58.3 | -40.8 | 176.3 | -73.2 | 165.4 | -177 | 173.9 | 0 | 112.9 | L157 E158 E164 L165 | L157-K161 VanDerWaalsContact O-CG 3.26Å; L157-K161 WeakPolarHBondContact O-CG 3.47Å; L157-K161 PolarHBondContact O-N 3.35Å; E158-K161 PolarHBondContact O-N 2.97Å; K161-E164 PolarHBondContact O-N 3.15Å; K161-L165 WeakPolarHBondContact O-CB 3.33Å; K161-L165 WeakPolarHBondContact O-CG 3.48Å; K161-L165 PolarHBondContact O-N 3.22Å |
| 162 | L | 74.8 | Confident | 66.9 | Low | 56 Ų | 56 | 74.8 Ų | 74.8 | 29% | 0.293 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 176.1 | -70.8 | 166.7 | 0 | 0 | 0 | 110.8 | L130 E158 F159 T160 E164 L165 Q166 | L130-L162 HydrophobicContact CD2-CD2 4.08Å; E158-L162 HydrophobicContact CG-CD1 4.38Å; E158-L162 VanDerWaalsContact O-CG 3.32Å; E158-L162 WeakPolarHBondContact O-CG 3.5Å; E158-L162 PolarHBondContact O-N 3.3Å; F159-L162 PolarHBondContact O-N 3.33Å; T160-L162 VanDerWaalsContact C-N 3.33Å; T160-L162 PolarHBondContact O-N 3.49Å; L162-E164 VanDerWaalsContact C-N 3.33Å; L162-E164 PolarHBondContact O-N 3.06Å; L162-L165 PolarHBondContact O-N 3.33Å; L162-Q166 WeakPolarHBondContact O-CB 3.4Å; L162-Q166 PolarHBondContact O-N 3.05Å |
| 163 | S | 72 | Confident | 65.7 | Low | 37 Ų | 37 | 74 Ų | 74 | 26% | 0.259 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.7 | -31 | 175.3 | 73.5 | 0 | 0 | 0 | 0 | 113.5 | F159 T160 N167 | F159-S163 PolarHBondContact O-N 2.94Å; F159-S163 PolarHBondContact O-OG 3.3Å; T160-S163 PolarHBondContact O-N 2.87Å; T160-S163 PolarHBondContact O-OG 3.44Å; S163-N167 WeakPolarHBondContact O-CB 3.26Å; S163-N167 PolarHBondContact O-N 3.34Å |
| 164 | E | 67 | Low | 65.2 | Low | 49 Ų | 49 | 69.5 Ų | 69.5 | 23% | 0.229 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -74.4 | -36.4 | 174.3 | -74.4 | -178.5 | 156.5 | 0 | 0 | 112.4 | T160 K161 L162 N167 P168 T171 | T160-E164 HydrophobicContact CG2-CG 4.37Å; T160-E164 WeakPolarHBondContact O-CB 3.47Å; T160-E164 WeakPolarHBondContact O-CG 3.22Å; T160-E164 PolarHBondContact O-N 2.95Å; K161-E164 PolarHBondContact O-N 3.15Å; L162-E164 VanDerWaalsContact C-N 3.33Å; L162-E164 PolarHBondContact O-N 3.06Å; E164-N167 CarbonylContact O-C 3.17Å; E164-N167 PolarHBondContact O-N 2.99Å; E164-P168 WeakPolarHBondContact O-CA 3.29Å; E164-T171 HydrophobicContact CB-CG2 3.89Å; E164-T171 VanDerWaalsContact CD-CG2 3.47Å; E164-T171 HydrophobicContact CG-CG2 3.76Å |
| 165 | L | 70.8 | Confident | 64.8 | Low | 118 Ų | 118 | 69.2 Ų | 69.2 | 62% | 0.618 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.5 | -41.2 | 170.5 | -84 | 160.4 | 0 | 0 | 0 | 111.4 | K161 L162 N167 | K161-L165 WeakPolarHBondContact O-CB 3.33Å; K161-L165 WeakPolarHBondContact O-CG 3.48Å; K161-L165 PolarHBondContact O-N 3.22Å; L162-L165 PolarHBondContact O-N 3.33Å; L165-N167 VanDerWaalsContact C-N 3.34Å |
| 166 | Q | 64 | Low | 64.7 | Low | 162 Ų | 162 | 75.1 Ų | 75.1 | 76% | 0.757 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -75.6 | -21.4 | 178.2 | -157.7 | 171.6 | 18.5 | 0 | 0 | 112.8 | L162 | L162-Q166 WeakPolarHBondContact O-CB 3.4Å; L162-Q166 PolarHBondContact O-N 3.05Å |
| 167 | N | 53.4 | Low | 64.3 | Low | 69 Ų | 69 | 74.5 Ų | 74.5 | 37% | 0.369 | 40% | 0.399 | S | S | . | . | | | trans | -136.5 | 72.5 | 179 | -72.5 | -86.5 | 0 | 0 | 0 | 112.4 | S163 E164 L165 G169 M170 | S163-N167 WeakPolarHBondContact O-CB 3.26Å; S163-N167 PolarHBondContact O-N 3.34Å; E164-N167 CarbonylContact O-C 3.17Å; E164-N167 PolarHBondContact O-N 2.99Å; L165-N167 VanDerWaalsContact C-N 3.34Å; N167-G169 PolarHBondContact O-N 3.39Å; N167-M170 HydrophobicContact CB-CG 3.89Å; N167-M170 WeakPolarHBondContact O-CB 3.49Å; N167-M170 PolarHBondContact O-N 3.1Å |
| 168 | P | 51 | Low | 63.9 | Low | 100 Ų | 100 | 75.5 Ų | 75.5 | 65% | 0.649 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -13.8 | -171.4 | 21.7 | -33.5 | 0 | 0 | 0 | 115.5 | E164 M170 T171 | E164-P168 WeakPolarHBondContact O-CA 3.29Å; P168-M170 VanDerWaalsContact C-N 3.33Å; P168-M170 PolarHBondContact O-N 3.39Å; P168-T171 PolarHBondContact O-OG1 2.87Å |
| 169 | G | 47.9 | Very low | 63.9 | Low | 67 Ų | 67 | 77.6 Ų | 77.6 | 69% | 0.691 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -11.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | N167 | N167-G169 PolarHBondContact O-N 3.39Š|
| 170 | M | 53.7 | Low | 63.7 | Low | 52 Ų | 52 | 83.5 Ų | 83.5 | 26% | 0.256 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -84 | -35.8 | -170.7 | -70.8 | -74.3 | -87.7 | 0 | 0 | 114.2 | N167 P168 M173 I174 Q202 | N167-M170 HydrophobicContact CB-CG 3.89Å; N167-M170 WeakPolarHBondContact O-CB 3.49Å; N167-M170 PolarHBondContact O-N 3.1Å; P168-M170 VanDerWaalsContact C-N 3.33Å; P168-M170 PolarHBondContact O-N 3.39Å; M170-M173 PolarHBondContact O-N 3.38Å; M170-M173 HydrophobicContact SD-CE 4.13Å; M170-I174 HydrophobicContact CB-CD1 4.3Å; M170-I174 PolarHBondContact O-N 3.09Å; M170-Q202 HydrophobicContact CE-CB 3.95Å |
| 171 | T | 47.9 | Very low | 63.5 | Low | 59 Ų | 59 | 82.9 Ų | 82.9 | 36% | 0.362 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -46 | -49.2 | -176.6 | 43.7 | 0 | 0 | 0 | 0 | 114.8 | E164 P168 M173 E175 | E164-T171 HydrophobicContact CB-CG2 3.89Å; E164-T171 VanDerWaalsContact CD-CG2 3.47Å; E164-T171 HydrophobicContact CG-CG2 3.76Å; P168-T171 PolarHBondContact O-OG1 2.87Å; T171-M173 VanDerWaalsContact C-N 3.25Å; T171-M173 PolarHBondContact O-N 2.8Å; T171-E175 PolarHBondContact O-N 3.03Å |
| 172 | P | 52.7 | Low | 63.5 | Low | 62 Ų | 62 | 84.6 Ų | 84.6 | 40% | 0.403 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -70.7 | -15.6 | -177.8 | 30.1 | -38.7 | 0 | 0 | 0 | 114 | K176 | P172-K176 VanDerWaalsContact O-CB 3.31Å; P172-K176 WeakPolarHBondContact O-CB 3.42Å; P172-K176 WeakPolarHBondContact O-CD 3.48Å; P172-K176 WeakPolarHBondContact O-CE 3.28Å; P172-K176 WeakPolarHBondContact O-CG 3.4Å |
| 173 | M | 52.5 | Low | 63.6 | Low | 54 Ų | 54 | 92.5 Ų | 92.5 | 27% | 0.266 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -89.5 | -39.5 | -179.3 | -171.7 | 171.8 | 57.5 | 0 | 0 | 111.8 | M170 T171 T177 | M170-M173 PolarHBondContact O-N 3.38Å; M170-M173 HydrophobicContact SD-CE 4.13Å; T171-M173 VanDerWaalsContact C-N 3.25Å; T171-M173 PolarHBondContact O-N 2.8Å; M173-T177 PolarHBondContact O-N 3.4Å; M173-T177 VanDerWaalsContact O-N 3.09Å; M173-T177 PolarHBondContact O-OG1 2.91Å |
| 174 | I | 59 | Low | 63.6 | Low | 32 Ų | 32 | 95.1 Ų | 95.1 | 16% | 0.164 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63.8 | -52.8 | 177.6 | -63 | 173.4 | 0 | 0 | 0 | 109.8 | M170 K176 T177 Y178 F195 | M170-I174 HydrophobicContact CB-CD1 4.3Å; M170-I174 PolarHBondContact O-N 3.09Å; I174-K176 PolarHBondContact O-N 2.71Å; I174-T177 PolarHBondContact O-N 2.96Å; I174-T177 VanDerWaalsContact O-N 3.1Å; I174-Y178 PolarHBondContact O-N 3.41Å; I174-F195 HydrophobicContact CG2-CD2 4.3Å; I174-F195 HydrophobicContact CG2-CE2 3.38Å; I174-F195 HydrophobicContact CG2-CZ 3.78Å |
| 175 | E | 67 | Low | 63.5 | Low | 102 Ų | 102 | 95.7 Ų | 95.7 | 48% | 0.477 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | -176.9 | -157.7 | -136.7 | -159.4 | 0 | 0 | 112.3 | T171 T177 Y178 K179 | T171-E175 PolarHBondContact O-N 3.03Å; E175-T177 VanDerWaalsContact C-N 3.3Å; E175-T177 PolarHBondContact O-N 3.14Å; E175-Y178 PolarHBondContact O-N 3.45Å; E175-K179 HydrophobicContact CG-CD 4.39Å; E175-K179 WeakPolarHBondContact O-CB 3.39Å; E175-K179 WeakPolarHBondContact O-CG 3.49Å; E175-K179 PolarHBondContact O-N 3.35Å; E175-K179 WeakPolarHBondContact OE1-CE 3.38Å; E175-K179 IonicContact OE1-NZ 2.66Å; E175-K179 PolarHBondContact OE1-NZ 3.02Å; E175-K179 VanDerWaalsContact OE2-CE 3.27Å; E175-K179 WeakPolarHBondContact OE2-CE 3.21Å; E175-K179 IonicContact OE2-NZ 3.29Å; E175-K179 PolarHBondContact OE2-NZ 2.91Å |
| 176 | K | 70.8 | Confident | 63.8 | Low | 139 Ų | 139 | 93.5 Ų | 93.5 | 60% | 0.604 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.2 | -37.9 | 173.1 | -76.4 | 175.1 | -159.8 | 168.5 | 0 | 112 | P172 I174 R180 | P172-K176 VanDerWaalsContact O-CB 3.31Å; P172-K176 WeakPolarHBondContact O-CB 3.42Å; P172-K176 WeakPolarHBondContact O-CD 3.48Å; P172-K176 WeakPolarHBondContact O-CE 3.28Å; P172-K176 WeakPolarHBondContact O-CG 3.4Å; I174-K176 PolarHBondContact O-N 2.71Å; K176-R180 WeakPolarHBondContact O-CB 3.4Å; K176-R180 PolarHBondContact O-N 2.9Å |
| 177 | T | 67.6 | Low | 64.1 | Low | 45 Ų | 45 | 89.6 Ų | 89.6 | 28% | 0.276 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -73.7 | -40.3 | -179.2 | -50.5 | 0 | 0 | 0 | 0 | 111.8 | M173 I174 E175 R180 A181 Q198 | M173-T177 PolarHBondContact O-N 3.4Å; M173-T177 VanDerWaalsContact O-N 3.09Å; M173-T177 PolarHBondContact O-OG1 2.91Å; I174-T177 PolarHBondContact O-N 2.96Å; I174-T177 VanDerWaalsContact O-N 3.1Å; E175-T177 VanDerWaalsContact C-N 3.3Å; E175-T177 PolarHBondContact O-N 3.14Å; T177-R180 PolarHBondContact O-N 2.86Å; T177-A181 WeakPolarHBondContact O-CB 3.27Å; T177-A181 PolarHBondContact O-N 3.02Å; T177-Q198 PolarHBondContact OG1-NE2 3.42Å |
| 178 | Y | 67.1 | Low | 65 | Low | 99 Ų | 99 | 92.2 Ų | 92.2 | 39% | 0.388 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 172.2 | -169.3 | -83 | 0 | 0 | 0 | 111.8 | I174 E175 R180 A181 R182 R191 F195 | I174-Y178 PolarHBondContact O-N 3.41Å; E175-Y178 PolarHBondContact O-N 3.45Å; Y178-R180 VanDerWaalsContact C-N 3.35Å; Y178-R180 PolarHBondContact O-N 3.1Å; Y178-A181 PolarHBondContact O-N 2.91Å; Y178-R182 WeakPolarHBondContact O-CB 3.46Å; Y178-R182 PolarHBondContact O-N 2.88Å; Y178-R191 HydrophobicContact CE2-CB 4.28Å; Y178-F195 HydrophobicContact CD2-CD2 4.48Å |
| 179 | K | 76.1 | Confident | 65.8 | Low | 104 Ų | 104 | 94.6 Ų | 94.6 | 45% | 0.452 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 174 | -76.5 | 175.2 | 175.3 | 170.2 | 0 | 111.9 | E175 R182 R183 | E175-K179 HydrophobicContact CG-CD 4.39Å; E175-K179 WeakPolarHBondContact O-CB 3.39Å; E175-K179 WeakPolarHBondContact O-CG 3.49Å; E175-K179 PolarHBondContact O-N 3.35Å; E175-K179 WeakPolarHBondContact OE1-CE 3.38Å; E175-K179 IonicContact OE1-NZ 2.66Å; E175-K179 PolarHBondContact OE1-NZ 3.02Å; E175-K179 VanDerWaalsContact OE2-CE 3.27Å; E175-K179 WeakPolarHBondContact OE2-CE 3.21Å; E175-K179 IonicContact OE2-NZ 3.29Å; E175-K179 PolarHBondContact OE2-NZ 2.91Å; K179-R182 PolarHBondContact O-N 3.4Å; K179-R183 WeakPolarHBondContact O-CG 3.37Å; K179-R183 PolarHBondContact O-N 3.29Å |
| 180 | R | 73.2 | Confident | 66.9 | Low | 185 Ų | 185 | 97.9 Ų | 97.9 | 70% | 0.698 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.1 | -49.9 | 173.9 | -175.7 | -179.4 | -76.4 | -166.1 | -4.1 | 111.5 | K176 T177 Y178 R182 R183 C184 | K176-R180 WeakPolarHBondContact O-CB 3.4Å; K176-R180 PolarHBondContact O-N 2.9Å; T177-R180 PolarHBondContact O-N 2.86Å; Y178-R180 VanDerWaalsContact C-N 3.35Å; Y178-R180 PolarHBondContact O-N 3.1Å; R180-R182 VanDerWaalsContact C-N 3.25Å; R180-R182 PolarHBondContact O-N 3.02Å; R180-R183 PolarHBondContact O-N 2.96Å; R180-C184 PolarHBondContact O-N 3.21Å; R180-C184 PolarHBondContact O-SG 3.16Å; R180-C184 VanDerWaalsContact O-SG 3.36Å |
| 181 | A | 69.9 | Low | 67.5 | Low | 15 Ų | 15 | 97.4 Ų | 97.4 | 12% | 0.124 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -62.2 | -30.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T177 Y178 M186 R191 | T177-A181 WeakPolarHBondContact O-CB 3.27Å; T177-A181 PolarHBondContact O-N 3.02Å; Y178-A181 PolarHBondContact O-N 2.91Å; A181-M186 HydrophobicContact CB-SD 3.8Å; A181-M186 WeakPolarHBondContact O-CB 3.09Å; A181-M186 PolarHBondContact O-N 3.09Å; A181-R191 HydrophobicContact CB-CG 4.08Å |
| 182 | R | 74.7 | Confident | 68.6 | Low | 171 Ų | 171 | 98.3 Ų | 98.3 | 65% | 0.645 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -70.8 | -40.2 | 170.9 | -173.5 | 172.5 | -178.1 | 166.8 | 0.7 | 112.5 | Y178 K179 R180 G185 | Y178-R182 WeakPolarHBondContact O-CB 3.46Å; Y178-R182 PolarHBondContact O-N 2.88Å; K179-R182 PolarHBondContact O-N 3.4Å; R180-R182 VanDerWaalsContact C-N 3.25Å; R180-R182 PolarHBondContact O-N 3.02Å; R182-G185 PolarHBondContact O-N 3.01Å |
| 183 | R | 77.3 | Confident | 69.3 | Low | 222 Ų | 222 | 100.5 Ų | 100.5 | 84% | 0.838 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.6 | -39.9 | 175.1 | -73.3 | 178 | -179.5 | -170 | 0.1 | 112.4 | K179 R180 G185 | K179-R183 WeakPolarHBondContact O-CG 3.37Å; K179-R183 PolarHBondContact O-N 3.29Å; R180-R183 PolarHBondContact O-N 2.96Å; R183-G185 PolarHBondContact O-N 2.83Å; R183-G185 VanDerWaalsContact O-N 3.08Å |
| 184 | C | 72.8 | Confident | 69.7 | Low | 92 Ų | 92 | 99.6 Ų | 99.6 | 62% | 0.622 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 18.9 | 178 | -58.5 | 0 | 0 | 0 | 0 | 114.4 | R180 M186 | R180-C184 PolarHBondContact O-N 3.21Å; R180-C184 PolarHBondContact O-SG 3.16Å; R180-C184 VanDerWaalsContact O-SG 3.36Å; C184-M186 PolarHBondContact O-N 3.34Å |
| 185 | G | 64.1 | Low | 69.6 | Low | 60 Ų | 60 | 100.8 Ų | 100.8 | 62% | 0.619 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 7.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | R182 R183 | R182-G185 PolarHBondContact O-N 3.01Å; R183-G185 PolarHBondContact O-N 2.83Å; R183-G185 VanDerWaalsContact O-N 3.08Å |
| 186 | M | 76.8 | Confident | 69.3 | Low | 72 Ų | 72 | 99.9 Ų | 99.9 | 36% | 0.355 | 49% | 0.486 | S | S | . | . | | | trans | -60.3 | 135.5 | -174.8 | -61.1 | -178.1 | 76.1 | 0 | 0 | 111 | A181 C184 K190 R191 | A181-M186 HydrophobicContact CB-SD 3.8Å; A181-M186 WeakPolarHBondContact O-CB 3.09Å; A181-M186 PolarHBondContact O-N 3.09Å; C184-M186 PolarHBondContact O-N 3.34Å; M186-K190 HydrophobicContact CE-CB 4.11Å; M186-R191 HydrophobicContact CB-CG 4.06Å; M186-R191 PolarHBondContact O-NE 3.47Å; M186-R191 PolarHBondContact O-NH2 3.05Å |
| 187 | P | 71 | Confident | 68.8 | Low | 80 Ų | 80 | 98.9 Ų | 98.9 | 52% | 0.519 | 48% | 0.482 | S | S | . | . | | | trans | -58.2 | 148.3 | 174 | -25.9 | 34.5 | 0 | 0 | 0 | 112.5 | L189 K190 R191 | P187-L189 VanDerWaalsContact C-N 3.28Å; P187-L189 PolarHBondContact O-N 3.37Å; P187-L189 VanDerWaalsContact O-N 3.16Å; P187-K190 WeakPolarHBondContact O-CA 3.35Å; P187-K190 PolarHBondContact O-N 3.39Å; P187-R191 PolarHBondContact O-N 2.87Å |
| 188 | K | 71.3 | Confident | 68.1 | Low | 124 Ų | 124 | 99.4 Ų | 99.4 | 54% | 0.539 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -46.2 | -50 | -178.3 | -71.1 | -176.4 | -179.9 | 178.4 | 0 | 112.1 | K190 R191 T192 D487 | K188-K190 VanDerWaalsContact C-N 3.33Å; K188-K190 PolarHBondContact O-N 2.9Å; K188-R191 WeakPolarHBondContact O-CA 3.47Å; K188-R191 WeakPolarHBondContact O-CB 3.37Å; K188-R191 PolarHBondContact O-N 3.21Å; K188-T192 PolarHBondContact O-N 2.98Å; K188-T192 PolarHBondContact O-OG1 3.47Å; K188-D487 IonicContact NZ-OD2 3.51Å; K188-D487 PolarHBondContact NZ-OD2 3.4Å |
| 189 | L | 67.7 | Low | 67.1 | Low | 151 Ų | 151 | 96.8 Ų | 96.8 | 79% | 0.791 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -57.6 | -38.7 | 178.5 | -154.8 | 84.2 | 0 | 0 | 0 | 113.7 | P187 K193 | P187-L189 VanDerWaalsContact C-N 3.28Å; P187-L189 PolarHBondContact O-N 3.37Å; P187-L189 VanDerWaalsContact O-N 3.16Å; L189-K193 WeakPolarHBondContact O-CB 3.44Å; L189-K193 PolarHBondContact O-N 2.84Å |
| 190 | K | 71.1 | Confident | 65.5 | Low | 136 Ų | 136 | 96.7 Ų | 96.7 | 59% | 0.591 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -73.4 | -28.8 | 175.8 | -69.2 | -163.8 | 179.3 | -176.4 | 0 | 112.2 | M186 P187 K188 G194 | M186-K190 HydrophobicContact CE-CB 4.11Å; P187-K190 WeakPolarHBondContact O-CA 3.35Å; P187-K190 PolarHBondContact O-N 3.39Å; K188-K190 VanDerWaalsContact C-N 3.33Å; K188-K190 PolarHBondContact O-N 2.9Å; K190-G194 PolarHBondContact O-N 2.99Å |
| 191 | R | 67.4 | Low | 64 | Low | 41 Ų | 41 | 91.5 Ų | 91.5 | 16% | 0.155 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -65.6 | -50.7 | 171.9 | -57 | -177.3 | -163.3 | 151.8 | 8.4 | 110.5 | Y178 A181 M186 P187 K188 K193 G194 F195 | Y178-R191 HydrophobicContact CE2-CB 4.28Å; A181-R191 HydrophobicContact CB-CG 4.08Å; M186-R191 HydrophobicContact CB-CG 4.06Å; M186-R191 PolarHBondContact O-NE 3.47Å; M186-R191 PolarHBondContact O-NH2 3.05Å; P187-R191 PolarHBondContact O-N 2.87Å; K188-R191 WeakPolarHBondContact O-CA 3.47Å; K188-R191 WeakPolarHBondContact O-CB 3.37Å; K188-R191 PolarHBondContact O-N 3.21Å; R191-K193 PolarHBondContact O-N 2.86Å; R191-G194 PolarHBondContact O-N 3.4Å; R191-F195 WeakPolarHBondContact O-CB 3.46Å; R191-F195 PolarHBondContact O-N 2.62Å |
| 192 | T | 69.4 | Low | 62.6 | Low | 78 Ų | 78 | 92.5 Ų | 92.5 | 48% | 0.479 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 179.5 | -45.2 | 0 | 0 | 0 | 0 | 112 | K188 G194 F195 L196 | K188-T192 PolarHBondContact O-N 2.98Å; K188-T192 PolarHBondContact O-OG1 3.47Å; T192-G194 VanDerWaalsContact C-N 3.33Å; T192-G194 PolarHBondContact O-N 3.31Å; T192-F195 WeakPolarHBondContact O-CB 3.49Å; T192-F195 PolarHBondContact O-N 3.43Å; T192-L196 HydrophobicContact CG2-CD1 4.28Å; T192-L196 WeakPolarHBondContact O-CG 3.42Å; T192-L196 PolarHBondContact O-N 2.85Å |
| 193 | K | 69.2 | Low | 60.8 | Low | 108 Ų | 108 | 88.2 Ų | 88.2 | 47% | 0.47 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.1 | -29 | 176 | -167.1 | 159.6 | -170.3 | 160.9 | 0 | 113.4 | L189 R191 K197 H1129 | L189-K193 WeakPolarHBondContact O-CB 3.44Å; L189-K193 PolarHBondContact O-N 2.84Å; R191-K193 PolarHBondContact O-N 2.86Å; K193-K197 PolarHBondContact O-N 3.45Å; K193-H1129 PolarHBondContact NZ-NE2 3.41Å |
| 194 | G | 59.4 | Low | 58.8 | Low | 35 Ų | 35 | 82.4 Ų | 82.4 | 36% | 0.361 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.8 | -46 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K190 R191 T192 K197 Q198 | K190-G194 PolarHBondContact O-N 2.99Å; R191-G194 PolarHBondContact O-N 3.4Å; T192-G194 VanDerWaalsContact C-N 3.33Å; T192-G194 PolarHBondContact O-N 3.31Å; G194-K197 PolarHBondContact O-N 2.66Å; G194-Q198 WeakPolarHBondContact O-CB 3.44Å; G194-Q198 PolarHBondContact O-N 2.92Å |
| 195 | F | 56.6 | Low | 56.7 | Low | 57 Ų | 57 | 80.7 Ų | 80.7 | 25% | 0.25 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -56 | -55.3 | 175.6 | -172.3 | -78.9 | 0 | 0 | 0 | 110.8 | I174 Y178 R191 T192 K197 Q198 T199 | I174-F195 HydrophobicContact CG2-CD2 4.3Å; I174-F195 HydrophobicContact CG2-CE2 3.38Å; I174-F195 HydrophobicContact CG2-CZ 3.78Å; Y178-F195 HydrophobicContact CD2-CD2 4.48Å; R191-F195 WeakPolarHBondContact O-CB 3.46Å; R191-F195 PolarHBondContact O-N 2.62Å; T192-F195 WeakPolarHBondContact O-CB 3.49Å; T192-F195 PolarHBondContact O-N 3.43Å; F195-K197 VanDerWaalsContact C-N 3.33Å; F195-K197 PolarHBondContact O-N 3.33Å; F195-Q198 CarbonylContact O-C 3.56Å; F195-Q198 WeakPolarHBondContact O-CA 3.36Å; F195-Q198 WeakPolarHBondContact O-CB 3.4Å; F195-Q198 PolarHBondContact O-N 3.27Å; F195-T199 PolarHBondContact O-N 3.03Å; F195-T199 PolarHBondContact O-OG1 3.37Å |
| 196 | L | 60.7 | Low | 55.1 | Low | 83 Ų | 83 | 82.3 Ų | 82.3 | 44% | 0.435 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -56 | -43.7 | 178.2 | -75.4 | 165.5 | 0 | 0 | 0 | 112.7 | T192 Q198 T199 L200 | T192-L196 HydrophobicContact CG2-CD1 4.28Å; T192-L196 WeakPolarHBondContact O-CG 3.42Å; T192-L196 PolarHBondContact O-N 2.85Å; L196-Q198 VanDerWaalsContact C-N 3.28Å; L196-Q198 PolarHBondContact O-N 3.32Å; L196-T199 PolarHBondContact O-N 2.86Å; L196-L200 HydrophobicContact CD2-CD1 4.49Å; L196-L200 WeakPolarHBondContact O-CD1 3.15Å; L196-L200 PolarHBondContact O-N 3.47Å |
| 197 | K | 60.2 | Low | 52.8 | Low | 118 Ų | 118 | 85.1 Ų | 85.1 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.3 | -36.1 | 174.4 | -89.9 | -154.9 | 168.4 | -157.8 | 0 | 112.8 | K193 G194 F195 S201 | K193-K197 PolarHBondContact O-N 3.45Å; G194-K197 PolarHBondContact O-N 2.66Å; F195-K197 VanDerWaalsContact C-N 3.33Å; F195-K197 PolarHBondContact O-N 3.33Å; K197-S201 WeakPolarHBondContact O-CB 3.21Å; K197-S201 PolarHBondContact O-N 3.25Å; K197-S201 PolarHBondContact O-OG 3.32Å |
| 198 | Q | 54.3 | Low | 51 | Low | 56 Ų | 56 | 88.6 Ų | 88.6 | 26% | 0.262 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -78.7 | -30.1 | -179.3 | -164.1 | 175.7 | 9.3 | 0 | 0 | 112.5 | T177 G194 F195 L196 S201 Q202 | T177-Q198 PolarHBondContact OG1-NE2 3.42Å; G194-Q198 WeakPolarHBondContact O-CB 3.44Å; G194-Q198 PolarHBondContact O-N 2.92Å; F195-Q198 CarbonylContact O-C 3.56Å; F195-Q198 WeakPolarHBondContact O-CA 3.36Å; F195-Q198 WeakPolarHBondContact O-CB 3.4Å; F195-Q198 PolarHBondContact O-N 3.27Å; L196-Q198 VanDerWaalsContact C-N 3.28Å; L196-Q198 PolarHBondContact O-N 3.32Å; Q198-S201 PolarHBondContact O-OG 2.94Å; Q198-Q202 WeakPolarHBondContact O-CG 3.4Å |
| 199 | T | 44.9 | Very low | 49.2 | Very low | 45 Ų | 45 | 90.6 Ų | 90.6 | 28% | 0.276 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.3 | -54.6 | 173.6 | -48.3 | 0 | 0 | 0 | 0 | 111.1 | F195 L196 S201 Q202 T203 | F195-T199 PolarHBondContact O-N 3.03Å; F195-T199 PolarHBondContact O-OG1 3.37Å; L196-T199 PolarHBondContact O-N 2.86Å; T199-S201 PolarHBondContact O-N 2.94Å; T199-Q202 PolarHBondContact O-N 2.95Å; T199-T203 HydrophobicContact CG2-CG2 4.07Å; T199-T203 PolarHBondContact O-N 3.04Å; T199-T203 PolarHBondContact O-OG1 3.5Å |
| 200 | L | 43.9 | Very low | 47.5 | Very low | 101 Ų | 101 | 88.2 Ų | 88.2 | 53% | 0.529 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.3 | -31.9 | -179.8 | -87.5 | 87.8 | 0 | 0 | 0 | 113 | L196 Q202 | L196-L200 HydrophobicContact CD2-CD1 4.49Å; L196-L200 WeakPolarHBondContact O-CD1 3.15Å; L196-L200 PolarHBondContact O-N 3.47Å; L200-Q202 PolarHBondContact O-N 3.21Å |
| 201 | S | 41.9 | Very low | 45.8 | Very low | 76 Ų | 76 | 93 Ų | 93 | 53% | 0.531 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -81 | 9 | 176.3 | 57.4 | 0 | 0 | 0 | 0 | 114.5 | K197 Q198 T199 | K197-S201 WeakPolarHBondContact O-CB 3.21Å; K197-S201 PolarHBondContact O-N 3.25Å; K197-S201 PolarHBondContact O-OG 3.32Å; Q198-S201 PolarHBondContact O-OG 2.94Å; T199-S201 PolarHBondContact O-N 2.94Å |
| 202 | Q | 39.6 | Very low | 44.3 | Very low | 36 Ų | 36 | 100.1 Ų | 100.1 | 17% | 0.168 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -131.3 | -30.7 | 178 | -67.7 | 175.2 | 19.1 | 0 | 0 | 112.7 | M170 Q198 T199 L200 S204 T205 | M170-Q202 HydrophobicContact CE-CB 3.95Å; Q198-Q202 WeakPolarHBondContact O-CG 3.4Å; T199-Q202 PolarHBondContact O-N 2.95Å; L200-Q202 PolarHBondContact O-N 3.21Å; Q202-S204 PolarHBondContact O-N 3.32Å; Q202-T205 PolarHBondContact O-N 2.98Å; Q202-T205 PolarHBondContact O-OG1 3.04Å; Q202-T205 VanDerWaalsContact O-OG1 3.05Å |
| 203 | T | 37.6 | Very low | 42.9 | Very low | 82 Ų | 82 | 107.7 Ų | 107.7 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.4 | -12.9 | 168.3 | 55.8 | 0 | 0 | 0 | 0 | 113.5 | T199 T205 | T199-T203 HydrophobicContact CG2-CG2 4.07Å; T199-T203 PolarHBondContact O-N 3.04Å; T199-T203 PolarHBondContact O-OG1 3.5Å; T203-T205 VanDerWaalsContact C-N 3.32Å |
| 204 | S | 34.7 | Very low | 41.2 | Very low | 99 Ų | 99 | 111.5 Ų | 111.5 | 69% | 0.692 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | 5.8 | 176 | -174.9 | 0 | 0 | 0 | 0 | 113.6 | Q202 | Q202-S204 PolarHBondContact O-N 3.32Š|
| 205 | T | 29.6 | Very low | 40.2 | Very low | 57 Ų | 57 | 118.3 Ų | 118.3 | 35% | 0.35 | 58% | 0.581 | S | S | . | * | | | trans | -142 | 57.1 | -166.5 | 47.5 | 0 | 0 | 0 | 0 | 113.6 | Q202 T203 L210 | Q202-T205 PolarHBondContact O-N 2.98Å; Q202-T205 PolarHBondContact O-OG1 3.04Å; Q202-T205 VanDerWaalsContact O-OG1 3.05Å; T203-T205 VanDerWaalsContact C-N 3.32Å; T205-L210 HydrophobicContact CG2-CD1 4.44Å; T205-L210 WeakPolarHBondContact OG1-CD1 3.38Å |
| 206 | T | 30.6 | Very low | 39.2 | Very low | 93 Ų | 93 | 124.5 Ų | 124.5 | 57% | 0.571 | 61% | 0.61 | S | S | * | * | | | trans | -125.4 | 105.8 | 157.7 | 47.8 | 0 | 0 | 0 | 0 | 105.2 | | |
| 207 | N | 28.4 | Very low | 38 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 71% | 0.706 | 63% | 0.631 | S | S | * | * | S | Bend | cis | -124.5 | 174.6 | 37.1 | -60.5 | -39.3 | 0 | 0 | 0 | 116.3 | L209 | N207-L209 PolarHBondContact O-N 3.45Š|
| 208 | D | 31.9 | Very low | 36.7 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 82% | 0.818 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 58.9 | -35.6 | 161.6 | -58.6 | -44.4 | 0 | 0 | 0 | 122.9 | L210 | D208-L210 VanDerWaalsContact C-N 3.34Å; D208-L210 PolarHBondContact O-N 3.27Å; D208-L210 VanDerWaalsContact O-N 3.1Å |
| 209 | L | 33.5 | Very low | 35.9 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 87% | 0.869 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 2.7 | -165.2 | -86 | 169.4 | 0 | 0 | 0 | 118 | N207 | N207-L209 PolarHBondContact O-N 3.45Š|
| 210 | L | 33.2 | Very low | 35.4 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 53% | 0.529 | 70% | 0.698 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.8 | -0.4 | -171.2 | -97.5 | 171.7 | 0 | 0 | 0 | 117.5 | T205 D208 H212 | T205-L210 HydrophobicContact CG2-CD1 4.44Å; T205-L210 WeakPolarHBondContact OG1-CD1 3.38Å; D208-L210 VanDerWaalsContact C-N 3.34Å; D208-L210 PolarHBondContact O-N 3.27Å; D208-L210 VanDerWaalsContact O-N 3.1Å; L210-H212 PolarHBondContact O-N 3.27Å |
| 211 | R | 33.8 | Very low | 34.8 | Very low | 235 Ų | 235 | 146.5 Ų | 146.5 | 89% | 0.887 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -2.8 | -178.5 | -78.1 | -167.9 | 175.1 | -151.5 | 1.7 | 116.4 | | |
| 212 | H | 38 | Very low | 34.4 | Very low | 191 Ų | 191 | 150.4 Ų | 150.4 | 88% | 0.884 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | 9.3 | -171.6 | -88.6 | -1.5 | 0 | 0 | 0 | 117.6 | L210 | L210-H212 PolarHBondContact O-N 3.27Š|
| 213 | R | 38.1 | Very low | 33.9 | Very low | 238 Ų | 238 | 156.9 Ų | 156.9 | 90% | 0.898 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -125.2 | 22.4 | -178 | -86.8 | -175 | 172.2 | 167.3 | -0 | 117.1 | | |
| 214 | R | 35 | Very low | 33.6 | Very low | 188 Ų | 188 | 158.5 Ų | 158.5 | 71% | 0.709 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -132.9 | 12.9 | 179.6 | -71.1 | -169.6 | 179.1 | 171.9 | 4.1 | 117.3 | | |
| 215 | H | 37.4 | Very low | 33.4 | Very low | 178 Ų | 178 | 161.2 Ų | 161.2 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -111 | 5 | -179.8 | -94.2 | -78.1 | 0 | 0 | 0 | 116.5 | | |
| 216 | H | 36.8 | Very low | 33.4 | Very low | 186 Ų | 186 | 169 Ų | 169 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -127 | 76 | 177.3 | -81.9 | -8.7 | 0 | 0 | 0 | 112.1 | | |
| 217 | L | 34.8 | Very low | 33.4 | Very low | 165 Ų | 165 | 171.7 Ų | 171.7 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -166.9 | 40.4 | 161.8 | -114.4 | 156.9 | 0 | 0 | 0 | 114.5 | | |
| 218 | H | 33.7 | Very low | 33.5 | Very low | 184 Ų | 184 | 174.4 Ų | 174.4 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | | | trans | -160.2 | 80.1 | 166.1 | -99.5 | -64.1 | 0 | 0 | 0 | 112.4 | | |
| 219 | H | 36.1 | Very low | 33.4 | Very low | 180 Ų | 180 | 172.3 Ų | 172.3 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | | | trans | -169.8 | 111 | 149.2 | -92 | -66.6 | 0 | 0 | 0 | 105.3 | | |
| 220 | H | 34.4 | Very low | 33.3 | Very low | 169 Ų | 169 | 170.1 Ų | 170.1 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | | | | 69.5 | 117.7 | 88.7 | -86.7 | -78.1 | 0 | 0 | 0 | 115.4 | | |
| 221 | H | 31.7 | Very low | 33.2 | Very low | 168 Ų | 168 | 170.9 Ų | 170.9 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | | | trans | -32.7 | 137.1 | 160.5 | -57.1 | -64.2 | 0 | 0 | 0 | 114.9 | | |
| 222 | N | 32.9 | Very low | 33 | Very low | 157 Ų | 157 | 167.1 Ų | 167.1 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | | | | -168.7 | 153.6 | 92.8 | -94.6 | -27.3 | 0 | 0 | 0 | 112 | | |
| 223 | H | 29.2 | Very low | 32.7 | Very low | 173 Ų | 173 | 166.3 Ų | 166.3 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | | | trans | -80.9 | 143.7 | 168.1 | -77.8 | -98.5 | 0 | 0 | 0 | 110.6 | | |
| 224 | S | 32.2 | Very low | 32.7 | Very low | 115 Ų | 115 | 162.8 Ų | 162.8 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -156 | 128.8 | 146.4 | -94.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 225 | H | 30 | Very low | 32.7 | Very low | 156 Ų | 156 | 159.4 Ų | 159.4 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | trans | -79.1 | 139.8 | 170.6 | -76.3 | -102.5 | 0 | 0 | 0 | 110 | | |
| 226 | Y | 29.7 | Very low | 32.4 | Very low | 220 Ų | 220 | 154.7 Ų | 154.7 | 86% | 0.863 | 76% | 0.764 | S | S | * | * | | | trans | -134.9 | 120 | 147.9 | -93.8 | -80.9 | 0 | 0 | 0 | 109.5 | | |
| 227 | H | 29.9 | Very low | 32.1 | Very low | 150 Ų | 150 | 152 Ų | 152 | 69% | 0.694 | 76% | 0.756 | S | S | * | * | | | trans | -73.6 | 148.9 | 166.4 | -85.9 | -88.8 | 0 | 0 | 0 | 109.7 | | |
| 228 | F | 30.4 | Very low | 31.8 | Very low | 189 Ų | 189 | 152 Ų | 152 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | | | trans | -134.6 | 127 | 145.7 | -105.7 | -82 | 0 | 0 | 0 | 110.9 | | |
| 229 | N | 31.2 | Very low | 31.8 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 59% | 0.588 | 74% | 0.737 | S | S | * | * | | | trans | -87.6 | 167.7 | 171.1 | -75.5 | -31.9 | 0 | 0 | 0 | 110.5 | | |
| 230 | N | 31.5 | Very low | 31.5 | Very low | 120 Ų | 120 | 149 Ų | 149 | 64% | 0.642 | 73% | 0.732 | S | S | * | * | | | trans | 145.2 | 115.1 | 165.6 | -76.2 | -4.8 | 0 | 0 | 0 | 106.6 | R1203 | N230-R1203 PolarHBondContact O-NH1 2.91Å; N230-R1203 PolarHBondContact O-NH2 3.36Å |
| 231 | I | 30.5 | Very low | 31.4 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 60% | 0.595 | 73% | 0.729 | S | S | * | * | | | cis | 73.1 | 117 | 15.9 | -49.5 | 179 | 0 | 0 | 0 | 114.2 | | |
| 232 | H | 30.1 | Very low | 31.4 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | | | trans | 66.5 | 156.9 | 167 | -66.1 | -25.1 | 0 | 0 | 0 | 117.7 | | |
| 233 | Q | 32.1 | Very low | 31.4 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 81% | 0.808 | 71% | 0.707 | S | S | * | * | | | cis | -143.1 | 166.2 | 13 | -142.5 | 140.4 | 22 | 0 | 0 | 113.7 | | |
| 234 | H | 36.2 | Very low | 31.6 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 76% | 0.764 | 70% | 0.704 | S | S | * | * | | | trans | -79.4 | 173.2 | 168 | -67.7 | -100.2 | 0 | 0 | 0 | 110.9 | | |
| 235 | P | 35.3 | Very low | 31.7 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 76% | 0.76 | 70% | 0.696 | S | S | * | * | | | | -129.1 | 156.7 | 84.5 | 41.2 | -31.9 | 0 | 0 | 0 | 111.7 | | |
| 236 | A | 31.9 | Very low | 31.9 | Very low | 78 Ų | 78 | 141.3 Ų | 141.3 | 65% | 0.645 | 69% | 0.692 | S | S | * | * | | | cis | 72.3 | 148.9 | 30.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 237 | L | 29.7 | Very low | 32.2 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 68% | 0.675 | 68% | 0.683 | S | S | * | * | | | cis | -132.6 | 167.5 | 8.5 | -51.7 | 103.6 | 0 | 0 | 0 | 109.7 | | |
| 238 | F | 29.7 | Very low | 32.5 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 73% | 0.732 | 68% | 0.681 | S | S | * | * | | | | 146.7 | 159.6 | 94.6 | -88.6 | -42.4 | 0 | 0 | 0 | 106.1 | | |
| 239 | D | 32.6 | Very low | 32.8 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 59% | 0.588 | 67% | 0.673 | S | S | * | * | | | cis | -157.9 | 154.6 | 3.9 | -113.3 | -25.3 | 0 | 0 | 0 | 110.9 | | |
| 240 | Y | 30.7 | Very low | 32.9 | Very low | 189 Ų | 189 | 132.7 Ų | 132.7 | 74% | 0.741 | 68% | 0.675 | S | S | * | * | | | trans | 61 | 147.8 | 146.6 | -78.7 | -127.1 | 0 | 0 | 0 | 119.9 | | |
| 241 | E | 31.2 | Very low | 32.8 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 72% | 0.715 | 68% | 0.681 | S | S | * | * | | | cis | -150.3 | -169.6 | -11.9 | -130.3 | -160.9 | 130.2 | 0 | 0 | 109.6 | | |
| 242 | P | 33.4 | Very low | 33 | Very low | 87 Ų | 87 | 131.6 Ų | 131.6 | 57% | 0.565 | 69% | 0.685 | S | S | * | * | | | trans | -113.3 | -176.1 | -145.1 | 31.1 | -7.6 | 0 | 0 | 0 | 113.8 | | |
| 243 | H | 32.4 | Very low | 33.2 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 59% | 0.588 | 69% | 0.685 | S | S | * | * | | | | 159.1 | 144.4 | 113.8 | -98.9 | -66.8 | 0 | 0 | 0 | 115.2 | | |
| 244 | Y | 32 | Very low | 33 | Very low | 187 Ų | 187 | 130.6 Ų | 130.6 | 73% | 0.733 | 68% | 0.684 | S | S | * | * | | | trans | 62.8 | 140.2 | 156.4 | -56.5 | -51.4 | 0 | 0 | 0 | 118.2 | | |
| 245 | D | 34.4 | Very low | 32.9 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 65% | 0.647 | 68% | 0.684 | S | S | * | * | | | cis | -153 | 168.4 | -0.2 | -136.8 | -50.2 | 0 | 0 | 0 | 113.8 | | |
| 246 | T | 34.2 | Very low | 32.8 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 63% | 0.632 | 68% | 0.683 | S | S | * | * | | | trans | 4.5 | 140.7 | 154.4 | 38.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 247 | N | 36.3 | Very low | 33.1 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 68% | 0.679 | 69% | 0.691 | S | S | * | * | | | cis | -163.4 | -175.6 | 20.9 | -122.4 | -34.5 | 0 | 0 | 0 | 109.5 | | |
| 248 | H | 37 | Very low | 33 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 65% | 0.648 | 69% | 0.691 | S | S | * | * | | | cis | -160.2 | 173.3 | 13 | -138.4 | 9.3 | 0 | 0 | 0 | 112.5 | | |
| 249 | I | 35.7 | Very low | 33 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 66% | 0.656 | 69% | 0.693 | S | S | * | * | | | trans | 17.5 | 136.5 | 143 | -66.4 | 174.2 | 0 | 0 | 0 | 120.2 | | |
| 250 | S | 33.9 | Very low | 32.9 | Very low | 92 Ų | 92 | 133.6 Ų | 133.6 | 64% | 0.643 | 70% | 0.695 | S | S | * | * | | | cis | -172.1 | 129.3 | -13.9 | -94.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 251 | S | 29.6 | Very low | 33.1 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 76% | 0.762 | 70% | 0.697 | S | S | * | * | | | trans | 70.8 | 177.1 | 134.4 | 88.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 252 | P | 34.3 | Very low | 33.2 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 68% | 0.675 | 69% | 0.694 | S | S | * | * | | | | -136.6 | -143.5 | -114.1 | 35 | -8.9 | 0 | 0 | 0 | 113 | | |
| 253 | I | 33.8 | Very low | 33 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 73% | 0.733 | 70% | 0.699 | S | S | * | * | | | trans | 83.6 | 110 | 169.6 | -55.3 | 161.6 | 0 | 0 | 0 | 112.7 | | |
| 254 | H | 28.6 | Very low | 33.1 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | | | cis | 85.3 | 155.2 | 39.2 | -162.9 | -87.9 | 0 | 0 | 0 | 113.2 | | |
| 255 | L | 34 | Very low | 33 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 76% | 0.764 | 71% | 0.707 | S | S | * | * | | | trans | 80.8 | 116.1 | -179.5 | -53.3 | 174.3 | 0 | 0 | 0 | 117.9 | | |
| 256 | S | 33.8 | Very low | 32.8 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | | | trans | -73.2 | 156.1 | 161.3 | -37 | 0 | 0 | 0 | 0 | 111.6 | | |
| 257 | P | 37.4 | Very low | 32.5 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | | | | -123.8 | 126.3 | 118.8 | 33.4 | -27.1 | 0 | 0 | 0 | 109.2 | | |
| 258 | N | 27.9 | Very low | 32.1 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 68% | 0.679 | 72% | 0.716 | S | S | * | * | | | cis | 58.3 | 137.8 | 35.4 | -161 | 13.5 | 0 | 0 | 0 | 113.4 | | |
| 259 | R | 30.3 | Very low | 31.6 | Very low | 207 Ų | 207 | 132.1 Ų | 132.1 | 78% | 0.781 | 72% | 0.716 | S | S | * | * | | | trans | 69.6 | 148.4 | 177.9 | -56.3 | -164 | 157.5 | 140.7 | 1.3 | 116 | | |
| 260 | D | 30 | Very low | 31 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 63% | 0.626 | 72% | 0.715 | S | S | * | * | | | cis | -165 | -168.7 | -21.6 | -99.2 | -28.3 | 0 | 0 | 0 | 104.9 | | |
| 261 | K | 35.2 | Very low | 30.6 | Very low | 182 Ų | 182 | 133.3 Ų | 133.3 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | | | trans | 84.5 | 138.3 | 152.5 | -52.7 | -164.4 | 173.3 | -167.4 | 0 | 117.2 | | |
| 262 | D | 32 | Very low | 30.5 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | | | cis | -150 | 155.5 | -13.7 | -121 | -40.4 | 0 | 0 | 0 | 114.4 | | |
| 263 | T | 30.7 | Very low | 30.3 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 68% | 0.675 | 72% | 0.719 | S | S | * | * | | | trans | -10.4 | 126 | 163 | 52.1 | 0 | 0 | 0 | 0 | 118.8 | | |
| 264 | K | 33.8 | Very low | 30.3 | Very low | 192 Ų | 192 | 131.3 Ų | 131.3 | 84% | 0.835 | 72% | 0.715 | S | S | * | * | | | | -159.5 | 107.2 | 109.1 | -99.9 | 149.6 | -171 | 175.5 | 0 | 108.5 | | |
| 265 | S | 29.5 | Very low | 30.3 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 65% | 0.65 | 71% | 0.713 | S | S | * | * | | | | 66.6 | 126.7 | 95.5 | 72.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 266 | M | 31.1 | Very low | 30.2 | Very low | 164 Ų | 164 | 128.7 Ų | 128.7 | 81% | 0.808 | 71% | 0.708 | S | S | * | * | | | cis | -157.5 | 145.3 | 23.1 | -133.2 | 152.9 | 63.4 | 0 | 0 | 106.9 | | |
| 267 | V | 28.4 | Very low | 30.1 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 66% | 0.655 | 71% | 0.706 | S | S | * | * | | | | 50.5 | 107.9 | 60.7 | 168.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 268 | N | 27.4 | Very low | 29.9 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 68% | 0.684 | 70% | 0.703 | S | S | * | * | | | cis | -138.9 | 161.6 | 26.1 | -97.7 | -35.6 | 0 | 0 | 0 | 109.9 | | |
| 269 | T | 25.9 | Very low | 30.1 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 66% | 0.656 | 70% | 0.703 | S | S | * | * | | | | 59.5 | 117.8 | 60.1 | -22.8 | 0 | 0 | 0 | 0 | 110 | | |
| 270 | T | 23.5 | Very low | 30.2 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 63% | 0.632 | 70% | 0.697 | S | S | * | * | | | | 124.1 | 164.5 | 98.2 | -5.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 271 | I | 25.6 | Very low | 30.4 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 73% | 0.728 | 71% | 0.706 | S | S | * | * | | | trans | 69.1 | 130.8 | 152.4 | -69.7 | 157.2 | 0 | 0 | 0 | 113.4 | | |
| 272 | T | 28.3 | Very low | 30.3 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 68% | 0.681 | 71% | 0.708 | S | S | * | * | | | cis | -143.1 | 149.8 | 31.8 | -29.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 273 | D | 28.4 | Very low | 30.6 | Very low | 140 Ų | 140 | 126.9 Ų | 126.9 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | | | trans | 4.5 | 153.8 | 145.4 | -41 | -20.8 | 0 | 0 | 0 | 120.1 | | |
| 274 | G | 33.7 | Very low | 30.7 | Very low | 64 Ų | 64 | 128.1 Ų | 128.1 | 66% | 0.66 | 72% | 0.715 | S | S | * | * | | | cis | -144.3 | 148.3 | 12.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 275 | N | 30.4 | Very low | 30.6 | Very low | 135 Ų | 135 | 125 Ų | 125 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | | | | 63.7 | 120.3 | 79.1 | -94.2 | -29 | 0 | 0 | 0 | 114 | | |
| 276 | N | 31.1 | Very low | 30.8 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 66% | 0.658 | 71% | 0.714 | S | S | * | * | | | trans | 70.1 | 145.7 | 154.8 | -62.7 | -46.7 | 0 | 0 | 0 | 117.4 | | |
| 277 | K | 32.3 | Very low | 31.1 | Very low | 166 Ų | 166 | 124.7 Ų | 124.7 | 72% | 0.722 | 71% | 0.709 | S | S | * | * | | | cis | -170.4 | 167 | -16.1 | -122.5 | 170.7 | -175.7 | 179.6 | 0 | 108.3 | | |
| 278 | L | 31.8 | Very low | 31.3 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | | | trans | 64.6 | 121.8 | 155.9 | -94.2 | 64.4 | 0 | 0 | 0 | 115.7 | | |
| 279 | S | 31.7 | Very low | 31.7 | Very low | 96 Ų | 96 | 125 Ų | 125 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | | | | 64 | 136.2 | 85 | 88.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 280 | S | 33.2 | Very low | 32 | Very low | 95 Ų | 95 | 126.4 Ų | 126.4 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | | | cis | 179.2 | -158.5 | -1 | 42.4 | 0 | 0 | 0 | 0 | 106.5 | | |
| 281 | I | 33.4 | Very low | 32.6 | Very low | 159 Ų | 159 | 127 Ų | 127 | 82% | 0.815 | 74% | 0.741 | S | S | * | * | | | trans | 84.2 | 94.9 | 160.3 | -58.8 | 155.8 | 0 | 0 | 0 | 116.9 | | |
| 282 | Q | 34.3 | Very low | 32.8 | Very low | 175 Ų | 175 | 128 Ų | 128 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | trans | -42.6 | -177.8 | 144.4 | -80.3 | 179.9 | -39.8 | 0 | 0 | 115.8 | | |
| 283 | P | 37.6 | Very low | 33 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | cis | -138.1 | -165.2 | -37.3 | 37.9 | -19.4 | 0 | 0 | 0 | 112 | | |
| 284 | N | 33 | Very low | 33.3 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | | 148.5 | 156.3 | 119.1 | -158.4 | 10.6 | 0 | 0 | 0 | 113.7 | | |
| 285 | N | 31.1 | Very low | 33.1 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 67% | 0.674 | 76% | 0.757 | S | S | * | * | | | trans | -93.7 | 157.1 | -163 | -46.7 | -83.7 | 0 | 0 | 0 | 114.1 | | |
| 286 | N | 34.4 | Very low | 33.1 | Very low | 151 Ų | 151 | 139 Ų | 139 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | | | | 174.4 | 164.5 | 103 | -96.6 | -47.5 | 0 | 0 | 0 | 117.2 | | |
| 287 | S | 36.5 | Very low | 33 | Very low | 100 Ų | 100 | 141.9 Ų | 141.9 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | trans | 83.8 | 106.5 | 155.7 | 68.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 288 | N | 34 | Very low | 32.8 | Very low | 171 Ų | 171 | 145.1 Ų | 145.1 | 91% | 0.914 | 77% | 0.772 | S | S | * | * | | | | 43 | 129.7 | 129.5 | -56.9 | -1.3 | 0 | 0 | 0 | 122.2 | | |
| 289 | G | 34.9 | Very low | 32.8 | Very low | 72 Ų | 72 | 143.1 Ų | 143.1 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | | | trans | 162.6 | 68.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 290 | T | 33.4 | Very low | 32.5 | Very low | 135 Ų | 135 | 149 Ų | 149 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | | | trans | 20.8 | 133.6 | 158 | 50.7 | 0 | 0 | 0 | 0 | 122.6 | | |
| 291 | S | 34.6 | Very low | 32.4 | Very low | 116 Ų | 116 | 153 Ų | 153 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 90.4 | 110.7 | 155.5 | 77.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 292 | N | 30.4 | Very low | 32.2 | Very low | 163 Ų | 163 | 150.8 Ų | 150.8 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | | | trans | 36.9 | 77.9 | 155.2 | -67.1 | 1.8 | 0 | 0 | 0 | 120.9 | | |
| 293 | K | 33.1 | Very low | 32.1 | Very low | 201 Ų | 201 | 148.9 Ų | 148.9 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | | | trans | -65.1 | 148.5 | 138.4 | -61.3 | 178.3 | -176.1 | -180 | 0 | 109 | | |
| 294 | H | 34.2 | Very low | 31.7 | Very low | 151 Ų | 151 | 149.4 Ų | 149.4 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | cis | 76.8 | 111.6 | 7.8 | -132.9 | 21.3 | 0 | 0 | 0 | 117.7 | | |
| 295 | Y | 28.7 | Very low | 31.6 | Very low | 182 Ų | 182 | 148.6 Ų | 148.6 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | | | trans | 87 | 158.3 | 155.3 | -79 | -58.9 | 0 | 0 | 0 | 123.9 | | |
| 296 | H | 31.7 | Very low | 31.7 | Very low | 147 Ų | 147 | 148.5 Ų | 148.5 | 68% | 0.681 | 77% | 0.773 | S | S | * | * | | | trans | -53.6 | 146.7 | -171.7 | -56 | -70.3 | 0 | 0 | 0 | 118 | | |
| 297 | H | 29.8 | Very low | 31.4 | Very low | 183 Ų | 183 | 145.6 Ų | 145.6 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | | | | -142.2 | 142.8 | 128.7 | -73.7 | -83.5 | 0 | 0 | 0 | 106 | | |
| 298 | R | 27.8 | Very low | 31.3 | Very low | 234 Ų | 234 | 148.4 Ų | 148.4 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | | | cis | 58.9 | 89.1 | 4.7 | -148 | -175.9 | -149.7 | -109.5 | 5 | 116.4 | | |
| 299 | S | 31.4 | Very low | 31.1 | Very low | 99 Ų | 99 | 146.8 Ų | 146.8 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | | | | -150.1 | 142.3 | 129.5 | -88.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 300 | Y | 25.9 | Very low | 31 | Very low | 221 Ų | 221 | 150.6 Ų | 150.6 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | | | trans | -112.7 | 128 | 162.3 | -94.5 | -95.2 | 0 | 0 | 0 | 106.2 | | |
| 301 | E | 31 | Very low | 30.9 | Very low | 177 Ų | 177 | 152 Ų | 152 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | | | trans | -130.8 | 109.8 | 162.4 | -65.3 | 180 | 179 | 0 | 0 | 104.4 | | |
| 302 | V | 29.2 | Very low | 30.8 | Very low | 114 Ų | 114 | 151.6 Ų | 151.6 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | | | cis | 78 | 133.5 | 46.6 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 303 | N | 30.8 | Very low | 30.8 | Very low | 135 Ų | 135 | 150.1 Ų | 150.1 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | | | trans | 74.4 | 140.3 | 170.1 | -77.4 | -1.3 | 0 | 0 | 0 | 117.5 | | |
| 304 | N | 30.1 | Very low | 31 | Very low | 123 Ų | 123 | 148.3 Ų | 148.3 | 66% | 0.658 | 73% | 0.732 | S | S | * | * | | | cis | -165.8 | -179.6 | -14.1 | -139.3 | -7.3 | 0 | 0 | 0 | 114.1 | | |
| 305 | N | 30.8 | Very low | 30.8 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | | | trans | 87.2 | 123.8 | 146.6 | -69.4 | -8.7 | 0 | 0 | 0 | 121.3 | | |
| 306 | T | 32.4 | Very low | 31.1 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 77% | 0.767 | 73% | 0.729 | S | S | * | * | | | trans | 64 | 142.3 | 134.9 | 57 | 0 | 0 | 0 | 0 | 121 | | |
| 307 | S | 28.4 | Very low | 31.2 | Very low | 90 Ų | 90 | 143.1 Ų | 143.1 | 63% | 0.629 | 73% | 0.731 | S | S | * | * | | | cis | 159 | 166.1 | -27.4 | 48.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 308 | L | 34.2 | Very low | 31.4 | Very low | 159 Ų | 159 | 141 Ų | 141 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | | | trans | 77.1 | 151.1 | 171.9 | -52.9 | 172 | 0 | 0 | 0 | 115.6 | | |
| 309 | H | 30.1 | Very low | 31.6 | Very low | 136 Ų | 136 | 138.7 Ų | 138.7 | 63% | 0.63 | 71% | 0.714 | S | S | * | * | | | cis | -171.1 | 148.3 | -35.8 | -146.7 | -122.9 | 0 | 0 | 0 | 108.2 | | |
| 310 | E | 33.1 | Very low | 31.7 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 72% | 0.715 | 71% | 0.714 | S | S | * | * | | | trans | 56.1 | 170.7 | 159.6 | -78.4 | 157.6 | 169.7 | 0 | 0 | 118.6 | | |
| 311 | E | 31 | Very low | 32.1 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 77% | 0.766 | 70% | 0.7 | S | S | * | * | | | | -158.7 | -169.9 | -53.4 | -135.9 | -176.5 | -147.5 | 0 | 0 | 110.3 | | |
| 312 | T | 33.7 | Very low | 32.2 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 66% | 0.663 | 69% | 0.692 | S | S | * | * | | | trans | 66.9 | 101.4 | 159.8 | 48.8 | 0 | 0 | 0 | 0 | 122.3 | | |
| 313 | N | 30.5 | Very low | 32.4 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | | | | 62.3 | 157.4 | 114.8 | -67.9 | -11.7 | 0 | 0 | 0 | 125 | | |
| 314 | H | 35.3 | Very low | 32.6 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | | | trans | 80.3 | 147.2 | 162.3 | -56.6 | -60.1 | 0 | 0 | 0 | 118.1 | | |
| 315 | N | 31.5 | Very low | 32.8 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 65% | 0.647 | 70% | 0.703 | S | S | * | * | | | cis | -167.7 | 165.9 | -36.6 | -129.9 | 42.3 | 0 | 0 | 0 | 109.9 | | |
| 316 | D | 34.5 | Very low | 32.9 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | | | trans | 65.6 | 141.4 | 148.3 | -66.2 | -39.9 | 0 | 0 | 0 | 123.6 | | |
| 317 | V | 34.3 | Very low | 33.1 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | | | trans | 72.8 | 135.4 | 137.8 | 158.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 318 | Q | 32.4 | Very low | 33.5 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 65% | 0.654 | 71% | 0.708 | S | S | * | * | | | cis | -176 | 169.9 | -14.7 | -144.2 | 172.9 | 10.4 | 0 | 0 | 111.5 | | |
| 319 | Y | 33.3 | Very low | 33.4 | Very low | 185 Ų | 185 | 135.9 Ų | 135.9 | 73% | 0.725 | 71% | 0.705 | S | S | * | * | | | trans | 62.1 | 157.4 | 165.7 | -70.1 | -88.3 | 0 | 0 | 0 | 121 | | |
| 320 | R | 33.3 | Very low | 33.4 | Very low | 180 Ų | 180 | 136.6 Ų | 136.6 | 68% | 0.679 | 71% | 0.708 | S | S | * | * | | | cis | -178.1 | 178 | -47.3 | -138.1 | -176 | 168.5 | -102.7 | -0.8 | 109.4 | D322 | R320-D322 IonicContact NH1-OD2 3.27Å; R320-D322 PolarHBondContact NH1-OD2 2.88Å |
| 321 | D | 34.9 | Very low | 33.2 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 58% | 0.583 | 71% | 0.709 | S | S | * | * | | | trans | 73.8 | 145.9 | 146.1 | -62.4 | -7.4 | 0 | 0 | 0 | 121.9 | | |
| 322 | D | 31.7 | Very low | 33.2 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 65% | 0.652 | 71% | 0.713 | S | S | * | * | | | cis | -166.3 | -167.7 | -34.1 | -130.7 | -29 | 0 | 0 | 0 | 109.2 | R320 | R320-D322 IonicContact NH1-OD2 3.27Å; R320-D322 PolarHBondContact NH1-OD2 2.88Å |
| 323 | E | 34.5 | Very low | 32.8 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | | | trans | 78 | 108.3 | 163.4 | -51 | -157.4 | 148.9 | 0 | 0 | 117.5 | | |
| 324 | T | 33.8 | Very low | 33 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | | | | 80.1 | 141 | 57.2 | 76.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 325 | P | 34.4 | Very low | 32.6 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | | | | -138.8 | 162.4 | 53.2 | 37.9 | -17.6 | 0 | 0 | 0 | 120.1 | | |
| 326 | T | 33.3 | Very low | 32.2 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | | | trans | -89.9 | -165.4 | 172.4 | 31.8 | 0 | 0 | 0 | 0 | 112 | | |
| 327 | P | 37.2 | Very low | 31.8 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | | | cis | -126.5 | -137.2 | -31.4 | 32.2 | -8.7 | 0 | 0 | 0 | 108.9 | | |
| 328 | P | 36.5 | Very low | 31.3 | Very low | 97 Ų | 97 | 142.9 Ų | 142.9 | 63% | 0.63 | 73% | 0.734 | S | S | * | * | | | cis | -135.1 | 159.1 | -22.3 | 38 | -20 | 0 | 0 | 0 | 117.8 | | |
| 329 | L | 32 | Very low | 31.1 | Very low | 147 Ų | 147 | 142 Ų | 142 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | | | trans | 50.3 | 161.6 | 135.4 | -59.5 | 169.1 | 0 | 0 | 0 | 121.3 | | |
| 330 | H | 31 | Very low | 30.7 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | | | cis | -148 | 173.8 | 8.3 | -131.6 | -63.9 | 0 | 0 | 0 | 110.9 | | |
| 331 | H | 29 | Very low | 30.5 | Very low | 156 Ų | 156 | 138.6 Ų | 138.6 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | | | trans | -76.5 | 160.1 | 175.8 | -51.8 | -14.4 | 0 | 0 | 0 | 114.4 | | |
| 332 | H | 29.4 | Very low | 30 | Very low | 186 Ų | 186 | 137.9 Ų | 137.9 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | | | | -172 | -179.6 | 109.8 | -102.2 | -69.4 | 0 | 0 | 0 | 113 | | |
| 333 | N | 26.8 | Very low | 29.6 | Very low | 146 Ų | 146 | 137.2 Ų | 137.2 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | | | trans | -119.2 | -151.9 | -155.7 | -161.1 | 14.9 | 0 | 0 | 0 | 113 | | |
| 334 | P | 34 | Very low | 29.4 | Very low | 88 Ų | 88 | 138.2 Ų | 138.2 | 57% | 0.571 | 75% | 0.754 | S | S | * | * | | | | -107.3 | 167.2 | -120.2 | 37.6 | -23 | 0 | 0 | 0 | 115.5 | | |
| 335 | Y | 26.7 | Very low | 29 | Very low | 231 Ų | 231 | 138.8 Ų | 138.8 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | | | trans | -141.4 | 137.4 | 153.2 | -100.5 | -77.9 | 0 | 0 | 0 | 113 | | |
| 336 | C | 23.9 | Very low | 28.7 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | | | trans | -90 | 143.8 | 179.4 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 337 | F | 25.7 | Very low | 28.2 | Very low | 191 Ų | 191 | 139.5 Ų | 139.5 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | | | trans | -144.4 | 90.8 | 149.5 | -88.1 | -64.5 | 0 | 0 | 0 | 111.9 | V339 | F337-V339 HydrophobicContact CB-CG2 4.47Å; F337-V339 HydrophobicContact CD1-CG2 3.76Å |
| 338 | S | 22.9 | Very low | 27.8 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | | | trans | -91.6 | 109.3 | 154.1 | 54.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 339 | V | 28.8 | Very low | 27.2 | Very low | 123 Ų | 123 | 140 Ų | 140 | 75% | 0.745 | 76% | 0.761 | S | S | * | * | | | trans | -117.3 | 129.2 | 176.9 | -178 | 0 | 0 | 0 | 0 | 109.6 | F337 | F337-V339 HydrophobicContact CB-CG2 4.47Å; F337-V339 HydrophobicContact CD1-CG2 3.76Å |
| 340 | N | 24.4 | Very low | 27.1 | Very low | 140 Ų | 140 | 140.6 Ų | 140.6 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | | | trans | -117.8 | -175 | 171.9 | -164.4 | -6 | 0 | 0 | 0 | 107.6 | | |
| 341 | L | 28.8 | Very low | 27 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | | | trans | 75.3 | 122.7 | -165.9 | -62 | 67.9 | 0 | 0 | 0 | 111 | | |
| 342 | S | 24.4 | Very low | 27.2 | Very low | 93 Ų | 93 | 136 Ų | 136 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | | | cis | 85.6 | 119.4 | 30.5 | -163.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 343 | T | 24.6 | Very low | 27 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | | | trans | 51.2 | 115.6 | 150.6 | 49.6 | 0 | 0 | 0 | 0 | 118.9 | | |
| 344 | H | 30.2 | Very low | 27 | Very low | 189 Ų | 189 | 133.4 Ų | 133.4 | 88% | 0.875 | 76% | 0.756 | S | S | * | * | | | | -158.2 | 141 | 97 | -101.3 | -73 | 0 | 0 | 0 | 112.5 | | |
| 345 | T | 24.9 | Very low | 26.6 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | -88.1 | 144.3 | 177.8 | -47 | 0 | 0 | 0 | 0 | 110.9 | | |
| 346 | M | 27.5 | Very low | 26.5 | Very low | 183 Ų | 183 | 129.6 Ų | 129.6 | 90% | 0.901 | 75% | 0.75 | S | S | * | * | | | trans | -161.5 | 148.3 | 142.5 | -100.6 | -58.4 | -102.5 | 0 | 0 | 109.3 | | |
| 347 | A | 24.6 | Very low | 26.7 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | | | trans | -149.4 | 136.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 348 | T | 27.8 | Very low | 26.7 | Very low | 128 Ų | 128 | 128.9 Ų | 128.9 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | | | trans | -159.5 | 113.5 | 165.1 | 29.6 | 0 | 0 | 0 | 0 | 106 | | |
| 349 | S | 24.6 | Very low | 26.9 | Very low | 92 Ų | 92 | 128.2 Ų | 128.2 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | | | | 62.7 | 103.5 | 69.6 | 76.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 350 | N | 28.2 | Very low | 26.9 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | | | | 176.2 | 131 | 115.8 | -82.8 | -13.5 | 0 | 0 | 0 | 112.5 | | |
| 351 | S | 29 | Very low | 27 | Very low | 106 Ų | 106 | 125.9 Ų | 125.9 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | | | trans | -96.3 | -167.7 | 161.7 | 63 | 0 | 0 | 0 | 0 | 108.5 | | |
| 352 | P | 33.9 | Very low | 26.9 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | | | cis | -132.2 | -146.9 | -9.3 | 27.6 | -2.1 | 0 | 0 | 0 | 111.7 | | |
| 353 | I | 26.3 | Very low | 27.1 | Very low | 147 Ų | 147 | 128.5 Ų | 128.5 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | | | trans | 113.7 | 117.6 | 149.2 | -63.9 | 160.5 | 0 | 0 | 0 | 118.6 | | |
| 354 | N | 25.6 | Very low | 27.5 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | | | trans | -37.5 | 145.8 | 161.7 | -45.5 | -23.8 | 0 | 0 | 0 | 114 | | |
| 355 | N | 25.3 | Very low | 27.6 | Very low | 134 Ų | 134 | 127.6 Ų | 127.6 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | | | | -167.8 | 143.5 | 74.5 | -91 | -58.2 | 0 | 0 | 0 | 109.6 | | |
| 356 | T | 26 | Very low | 27.9 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 64% | 0.638 | 72% | 0.719 | S | S | * | * | | | | 58.1 | 107 | 70.5 | -30.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 357 | L | 26.5 | Very low | 28 | Very low | 145 Ų | 145 | 124.3 Ų | 124.3 | 76% | 0.759 | 70% | 0.702 | S | S | * | * | | | | 156.6 | 143.3 | 122.9 | -82.8 | 174.2 | 0 | 0 | 0 | 112.8 | | |
| 358 | I | 26.5 | Very low | 28.2 | Very low | 135 Ų | 135 | 127.2 Ų | 127.2 | 69% | 0.692 | 70% | 0.7 | S | S | * | * | | | trans | 57.3 | 99.1 | 143.1 | -64.8 | 167 | 0 | 0 | 0 | 115.9 | | |
| 359 | S | 26.6 | Very low | 28.2 | Very low | 106 Ų | 106 | 125.9 Ų | 125.9 | 74% | 0.741 | 70% | 0.696 | S | S | * | * | | | | 64.5 | 108.5 | 70.3 | -56.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 360 | S | 28.6 | Very low | 28.3 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | | | trans | -179.6 | 151.9 | 147.8 | -93.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 361 | S | 27.5 | Very low | 28.2 | Very low | 98 Ų | 98 | 126 Ų | 126 | 69% | 0.685 | 70% | 0.697 | S | S | * | * | | | cis | -171.9 | 178.3 | -15.1 | -104 | 0 | 0 | 0 | 0 | 108.4 | | |
| 362 | R | 27 | Very low | 28.4 | Very low | 232 Ų | 232 | 127.9 Ų | 127.9 | 88% | 0.875 | 70% | 0.704 | S | S | * | * | | | trans | 77.5 | 145.7 | 163.6 | -71.2 | -168.7 | 166.1 | -157.7 | -3.9 | 118.1 | | |
| 363 | S | 27.6 | Very low | 28.1 | Very low | 69 Ų | 69 | 126.6 Ų | 126.6 | 48% | 0.483 | 70% | 0.702 | S | S | . | * | | | cis | -166.3 | 167.1 | -19.7 | 42.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 364 | H | 34.1 | Very low | 28.4 | Very low | 147 Ų | 147 | 127.5 Ų | 127.5 | 68% | 0.681 | 71% | 0.707 | S | S | * | * | | | trans | 75.8 | 141.5 | 163.2 | -44 | -53.4 | 0 | 0 | 0 | 116 | | |
| 365 | H | 30.6 | Very low | 28.6 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 61% | 0.606 | 71% | 0.712 | S | S | * | * | | | cis | -164.7 | 152.1 | -23.3 | -118.2 | -52.4 | 0 | 0 | 0 | 109.3 | | |
| 366 | H | 31.4 | Very low | 28.8 | Very low | 143 Ų | 143 | 130.4 Ų | 130.4 | 66% | 0.662 | 72% | 0.72 | S | S | * | * | | | trans | 66.4 | 150.3 | 152.1 | -63.3 | -46.2 | 0 | 0 | 0 | 117.1 | | |
| 367 | N | 29.4 | Very low | 28.9 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 54% | 0.535 | 73% | 0.729 | S | S | . | * | | | cis | -153.8 | 156.1 | -12.2 | -119.4 | -7.4 | 0 | 0 | 0 | 113.5 | | |
| 368 | H | 30.4 | Very low | 28.9 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 67% | 0.671 | 72% | 0.717 | S | S | * | * | | | trans | 53.3 | 117.5 | 145.2 | -63.4 | -30.4 | 0 | 0 | 0 | 120 | | |
| 369 | S | 28 | Very low | 29.1 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | | | | 82.4 | 148.5 | 80.5 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 370 | S | 26.5 | Very low | 29.1 | Very low | 98 Ų | 98 | 138.3 Ų | 138.3 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | | | cis | -160.6 | 163.3 | 8 | 6.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 371 | L | 25.3 | Very low | 29.1 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 82% | 0.817 | 73% | 0.73 | S | S | * | * | | | trans | 24.1 | 121.2 | 149.5 | -69.1 | 83.4 | 0 | 0 | 0 | 119.1 | | |
| 372 | T | 33.4 | Very low | 29.1 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 89% | 0.89 | 73% | 0.728 | S | S | * | * | | | | 174.8 | 158.1 | 109.1 | 31.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 373 | A | 28 | Very low | 29 | Very low | 77 Ų | 77 | 139.8 Ų | 139.8 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | | | cis | -165.4 | 138.3 | -39.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 374 | L | 31.3 | Very low | 29 | Very low | 166 Ų | 166 | 143 Ų | 143 | 87% | 0.869 | 73% | 0.727 | S | S | * | * | | | trans | 65.2 | 162.6 | 160 | -62.5 | 166.7 | 0 | 0 | 0 | 118.5 | | |
| 375 | P | 29.8 | Very low | 28.8 | Very low | 124 Ų | 124 | 142 Ų | 142 | 81% | 0.805 | 73% | 0.732 | S | S | * | * | | | cis | -106.9 | 154.9 | -12.3 | 11.4 | 10.6 | 0 | 0 | 0 | 113.4 | | |
| 376 | K | 30.1 | Very low | 28.6 | Very low | 201 Ų | 201 | 141.5 Ų | 141.5 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | | | trans | -94.8 | 146.5 | 160.3 | -64.8 | 173.9 | 176.8 | 176.8 | 0 | 108.9 | | |
| 377 | M | 27.5 | Very low | 28.6 | Very low | 170 Ų | 170 | 144 Ų | 144 | 84% | 0.837 | 74% | 0.744 | S | S | * | * | | | trans | -138.1 | 110.2 | 142.2 | -98.9 | 178.6 | 166.4 | 0 | 0 | 106.2 | | |
| 378 | E | 28.1 | Very low | 28.6 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 50% | 0.5 | 75% | 0.75 | S | S | . | * | | | | 87.5 | 98.2 | 85 | -84.3 | -161.1 | 124.1 | 0 | 0 | 111.8 | R380 | E378-R380 HydrophobicContact CB-CG 4.41Å; E378-R380 VanDerWaalsContact CD-NE 3.27Å; E378-R380 PolarHBondContact O-N 3.03Å; E378-R380 IonicContact OE1-CZ 2.88Å; E378-R380 VanDerWaalsContact OE1-CZ 3.26Å; E378-R380 IonicContact OE1-NE 3.48Å; E378-R380 PolarHBondContact OE1-NE 3.38Å; E378-R380 IonicContact OE1-NH2 3.26Å; E378-R380 PolarHBondContact OE1-NH2 3.34Å; E378-R380 IonicContact OE2-CZ 3.14Å; E378-R380 IonicContact OE2-NE 2.76Å; E378-R380 PolarHBondContact OE2-NE 2.64Å; E378-R380 VanDerWaalsContact OE2-NE 3.14Å; E378-R380 IonicContact OE2-NH2 3.72Å |
| 379 | H | 29.1 | Very low | 29 | Very low | 204 Ų | 204 | 140.3 Ų | 140.3 | 94% | 0.944 | 74% | 0.741 | S | S | * | * | | | trans | -61.1 | 120.6 | 145 | -88.9 | -98.6 | 0 | 0 | 0 | 107.4 | | |
| 380 | R | 28 | Very low | 29.4 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | | | trans | -121.6 | 120 | 160.3 | -76.2 | -165.3 | 179.2 | -143.9 | -2.9 | 110.8 | E378 S382 | E378-R380 HydrophobicContact CB-CG 4.41Å; E378-R380 VanDerWaalsContact CD-NE 3.27Å; E378-R380 PolarHBondContact O-N 3.03Å; E378-R380 IonicContact OE1-CZ 2.88Å; E378-R380 VanDerWaalsContact OE1-CZ 3.26Å; E378-R380 IonicContact OE1-NE 3.48Å; E378-R380 PolarHBondContact OE1-NE 3.38Å; E378-R380 IonicContact OE1-NH2 3.26Å; E378-R380 PolarHBondContact OE1-NH2 3.34Å; E378-R380 IonicContact OE2-CZ 3.14Å; E378-R380 IonicContact OE2-NE 2.76Å; E378-R380 PolarHBondContact OE2-NE 2.64Å; E378-R380 VanDerWaalsContact OE2-NE 3.14Å; E378-R380 IonicContact OE2-NH2 3.72Å; R380-S382 PolarHBondContact O-N 3.08Å |
| 381 | Y | 28.8 | Very low | 29.6 | Very low | 231 Ų | 231 | 143.5 Ų | 143.5 | 91% | 0.906 | 75% | 0.745 | S | S | * | * | | | trans | -65.1 | 119 | 146 | -96.3 | -105.3 | 0 | 0 | 0 | 107.7 | | |
| 382 | S | 26.7 | Very low | 29.7 | Very low | 91 Ų | 91 | 145.6 Ų | 145.6 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | | | trans | -157 | 96.6 | 161.3 | -63.3 | 0 | 0 | 0 | 0 | 104.6 | R380 | R380-S382 PolarHBondContact O-N 3.08Š|
| 383 | Q | 25.8 | Very low | 29.5 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | | | | 72 | 119.2 | 58 | -169.6 | 178.4 | -18.5 | 0 | 0 | 111.5 | | |
| 384 | E | 26.7 | Very low | 29.5 | Very low | 135 Ų | 135 | 145.3 Ų | 145.3 | 63% | 0.631 | 74% | 0.739 | S | S | * | * | | | trans | 59.9 | 149.9 | -177.6 | -69.7 | 131.2 | -132.2 | 0 | 0 | 115.3 | I386 | E384-I386 HydrophobicContact CG-CD1 3.94Š|
| 385 | T | 29.6 | Very low | 29.4 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | | | cis | -125.6 | 117.7 | 2.8 | -20.2 | 0 | 0 | 0 | 0 | 106.5 | | |
| 386 | I | 27.2 | Very low | 29.4 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 61% | 0.61 | 73% | 0.733 | S | S | * | * | | | | 46.9 | 95.1 | 79.2 | -50.8 | 171.9 | 0 | 0 | 0 | 112.1 | E384 | E384-I386 HydrophobicContact CG-CD1 3.94Š|
| 387 | Q | 31.4 | Very low | 29.4 | Very low | 195 Ų | 195 | 142.1 Ų | 142.1 | 91% | 0.911 | 73% | 0.728 | S | S | * | * | | | | -138.5 | 86.2 | 126.1 | -162 | 101.4 | 54.9 | 0 | 0 | 107.3 | | |
| 388 | S | 28 | Very low | 29.6 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 64% | 0.643 | 72% | 0.723 | S | S | * | * | | | trans | -83.3 | -162 | 170.2 | 54.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 389 | P | 40.5 | Very low | 29.5 | Very low | 76 Ų | 76 | 143 Ų | 143 | 49% | 0.494 | 74% | 0.737 | S | S | . | * | | | | -101.5 | -176.2 | -115.2 | 30 | -9.8 | 0 | 0 | 0 | 112.6 | E391 | P389-E391 HydrophobicContact CB-CB 4.07Å; P389-E391 HydrophobicContact CB-CG 3.98Å; P389-E391 HydrophobicContact CG-CB 3.89Å; P389-E391 HydrophobicContact CG-CG 3.65Å |
| 390 | P | 35.8 | Very low | 29.4 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | | | | -121.9 | 130.8 | 98.2 | 0.5 | 20.2 | 0 | 0 | 0 | 110.1 | | |
| 391 | E | 30 | Very low | 29.6 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 64% | 0.64 | 73% | 0.733 | S | S | * | * | | | cis | 41.4 | 106.5 | 36.5 | -74.6 | -169.6 | 173.5 | 0 | 0 | 112.5 | P389 | P389-E391 HydrophobicContact CB-CB 4.07Å; P389-E391 HydrophobicContact CB-CG 3.98Å; P389-E391 HydrophobicContact CG-CB 3.89Å; P389-E391 HydrophobicContact CG-CG 3.65Å |
| 392 | Y | 28.7 | Very low | 29.5 | Very low | 201 Ų | 201 | 133.4 Ų | 133.4 | 79% | 0.788 | 72% | 0.724 | S | S | * | * | | | | -170.8 | 128.7 | 106.8 | -112.1 | -88.1 | 0 | 0 | 0 | 109.8 | | |
| 393 | T | 29 | Very low | 29.7 | Very low | 108 Ų | 108 | 137 Ų | 137 | 66% | 0.663 | 73% | 0.734 | S | S | * | * | | | trans | 39.7 | 118.9 | 149.5 | 51.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 394 | S | 27.4 | Very low | 29.9 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | | | | 76 | 169 | 67.7 | -167.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 395 | M | 28.3 | Very low | 30.1 | Very low | 148 Ų | 148 | 133.2 Ų | 133.2 | 73% | 0.729 | 74% | 0.74 | S | S | * | * | | | trans | 79.1 | 123.8 | 176.5 | -51.4 | -61.8 | -80.6 | 0 | 0 | 117.3 | | |
| 396 | M | 29.9 | Very low | 30.1 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | | | trans | 76.1 | 95.2 | 142.6 | -64.3 | 166 | 67.9 | 0 | 0 | 120.2 | | |
| 397 | S | 30.2 | Very low | 30.4 | Very low | 110 Ų | 110 | 135.4 Ų | 135.4 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | | | | -55.3 | 172 | 129.5 | 15.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 398 | P | 31.8 | Very low | 30.4 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | | | cis | -128.5 | -160.3 | -21.5 | 39.1 | -21.6 | 0 | 0 | 0 | 111.4 | | |
| 399 | K | 27.5 | Very low | 30.8 | Very low | 179 Ų | 179 | 132.9 Ų | 132.9 | 78% | 0.778 | 75% | 0.745 | S | S | * | * | | | trans | 106.3 | 129.7 | 167.4 | -63.7 | 175.8 | 177.2 | 177 | 0 | 116.3 | | |
| 400 | N | 26.1 | Very low | 30.3 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | | 19.2 | 159.4 | 117.5 | -54.2 | -4.4 | 0 | 0 | 0 | 120.5 | | |
| 401 | H | 31.8 | Very low | 30.3 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 78% | 0.782 | 75% | 0.747 | S | S | * | * | | | trans | 81.5 | 110.4 | -179 | -47 | -73.4 | 0 | 0 | 0 | 111.9 | | |
| 402 | S | 27.3 | Very low | 30.3 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | | | cis | 85.5 | 130.7 | 32.5 | -161.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 403 | I | 29.9 | Very low | 30.3 | Very low | 167 Ų | 167 | 130.1 Ų | 130.1 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | | | trans | 73.7 | 128 | 174 | -57.5 | 148.7 | 0 | 0 | 0 | 115.2 | | |
| 404 | G | 31.1 | Very low | 30.3 | Very low | 70 Ų | 70 | 135.1 Ų | 135.1 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | | | trans | 163.1 | 49.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 405 | N | 31.2 | Very low | 30.4 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | | | trans | 11.6 | 124.4 | 156.1 | -50.8 | -13.7 | 0 | 0 | 0 | 118.2 | | |
| 406 | N | 29.7 | Very low | 30.3 | Very low | 149 Ų | 149 | 140 Ų | 140 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | | | | -179.1 | 152.9 | 72.5 | -103.1 | -30 | 0 | 0 | 0 | 109.2 | | |
| 407 | I | 32.5 | Very low | 30.2 | Very low | 143 Ų | 143 | 138 Ų | 138 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | S | Bend | cis | -131 | 139.3 | 9.6 | -55 | 175.6 | 0 | 0 | 0 | 109.9 | | |
| 408 | T | 32.1 | Very low | 30 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 60.1 | 111.5 | 167.2 | 44.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 409 | S | 36.6 | Very low | 29.9 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | 64.7 | 58.1 | 144.4 | 53.8 | 0 | 0 | 0 | 0 | 120.3 | | |
| 410 | S | 29.5 | Very low | 30.1 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | | -38.4 | 173.9 | 122.5 | 43.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 411 | P | 36 | Very low | 30.1 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 62% | 0.617 | 77% | 0.768 | S | S | * | * | | | cis | -144.6 | -176.6 | -21.9 | 33.6 | -12.1 | 0 | 0 | 0 | 116.2 | | |
| 412 | Q | 29.4 | Very low | 29.9 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | | | trans | 69.7 | 161.1 | 138.3 | -84.3 | 165.7 | -66.4 | 0 | 0 | 120.5 | | |
| 413 | D | 29.8 | Very low | 30 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 66% | 0.663 | 78% | 0.775 | S | S | * | * | | | cis | -143.6 | 168.2 | 2.3 | -136.7 | -34.8 | 0 | 0 | 0 | 114.7 | | |
| 414 | Y | 28.7 | Very low | 29.9 | Very low | 213 Ų | 213 | 136.7 Ų | 136.7 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | | | trans | -71.6 | 139.3 | 170.8 | -90.6 | -117.6 | 0 | 0 | 0 | 112.6 | | |
| 415 | R | 28.6 | Very low | 30 | Very low | 240 Ų | 240 | 137.9 Ų | 137.9 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | | | trans | -162.1 | 132.8 | 142.2 | -116.4 | 166.4 | -165.3 | -88.9 | -1 | 114.6 | | |
| 416 | S | 27.4 | Very low | 29.8 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | | | trans | -81.4 | 117.3 | 174.8 | -29.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 417 | V | 28.1 | Very low | 30 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | | | trans | -147.6 | 134 | 161.5 | -168.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 418 | S | 25.9 | Very low | 29.9 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | -81.3 | 110.3 | 168.6 | -47.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 419 | V | 27.8 | Very low | 29.8 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | | | trans | -151.1 | 146.8 | 171 | 128.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 420 | P | 32.8 | Very low | 29.4 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | trans | -95.5 | 138.5 | -169 | 35 | -34.5 | 0 | 0 | 0 | 115.8 | | |
| 421 | G | 26.8 | Very low | 29.6 | Very low | 72 Ų | 72 | 144.9 Ų | 144.9 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | | | trans | 103.3 | 170.3 | 143.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 422 | I | 27.8 | Very low | 29.8 | Very low | 156 Ų | 156 | 148.5 Ų | 148.5 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | | | trans | 86 | 139 | 154.8 | -57.8 | 172.9 | 0 | 0 | 0 | 118.3 | | |
| 423 | W | 28.2 | Very low | 29.7 | Very low | 222 Ų | 222 | 145.9 Ų | 145.9 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | | | trans | 56.3 | 90.2 | 168.2 | -103.9 | -75.8 | 0 | 0 | 0 | 122.9 | | |
| 424 | N | 28.9 | Very low | 29.8 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | | 23.5 | 131.7 | 108.3 | -112.3 | 13.7 | 0 | 0 | 0 | 121.1 | | |
| 425 | S | 31.8 | Very low | 29.8 | Very low | 95 Ų | 95 | 141 Ų | 141 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | | | trans | 48.8 | 115.9 | 135.6 | 67.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 426 | Q | 27.5 | Very low | 29.8 | Very low | 194 Ų | 194 | 137.7 Ų | 137.7 | 91% | 0.907 | 77% | 0.769 | S | S | * | * | | | trans | -150.5 | 97.3 | 150.7 | -123.4 | -172.9 | 38.3 | 0 | 0 | 114 | | |
| 427 | T | 33.9 | Very low | 29.8 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | | | trans | -146.6 | 95.1 | 148.7 | 20.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 428 | K | 30.4 | Very low | 30 | Very low | 197 Ų | 197 | 136.4 Ų | 136.4 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | | | trans | 32.2 | 145.8 | 141 | -85.3 | -172.5 | 169.3 | -176.7 | 0 | 121.3 | | |
| 429 | P | 29.4 | Very low | 30.1 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 62% | 0.623 | 76% | 0.757 | S | S | * | * | | | cis | -141.5 | 172.2 | -44.4 | 36.4 | -17.7 | 0 | 0 | 0 | 113.3 | | |
| 430 | D | 29.2 | Very low | 30.2 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | | | trans | 51.5 | 138.8 | 137.9 | -62.5 | -22.9 | 0 | 0 | 0 | 123.9 | | |
| 431 | I | 32.7 | Very low | 30.2 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | | | trans | 64.8 | 88.7 | 149.9 | -58 | 154.9 | 0 | 0 | 0 | 116 | | |
| 432 | I | 40 | Very low | 30.5 | Very low | 170 Ų | 170 | 145 Ų | 145 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | | | | -156.4 | 139.8 | 102.6 | -96.6 | 153.3 | 0 | 0 | 0 | 109.8 | | |
| 433 | S | 27.4 | Very low | 30.9 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | -137.6 | 170.4 | -178.3 | -170.7 | 0 | 0 | 0 | 0 | 106.5 | | |
| 434 | P | 32.6 | Very low | 31.3 | Very low | 94 Ų | 94 | 137.1 Ų | 137.1 | 61% | 0.61 | 75% | 0.746 | S | S | * | * | | | | -124.4 | -156.6 | -57.4 | 36.7 | -22.1 | 0 | 0 | 0 | 109.6 | | |
| 435 | Q | 28.8 | Very low | 31.6 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 66% | 0.659 | 75% | 0.75 | S | S | * | * | | | trans | 72.6 | 144.8 | 150.1 | -78.6 | 174.8 | 43.2 | 0 | 0 | 120.9 | | |
| 436 | K | 28.9 | Very low | 31.7 | Very low | 169 Ų | 169 | 136.6 Ų | 136.6 | 74% | 0.735 | 75% | 0.752 | S | S | * | * | | | trans | 67.3 | 124.7 | 154.3 | -67.5 | 153.9 | -179.7 | 157.7 | 0 | 116.3 | | |
| 437 | A | 27.9 | Very low | 32.2 | Very low | 83 Ų | 83 | 134.6 Ų | 134.6 | 69% | 0.686 | 75% | 0.747 | S | S | * | * | | | cis | 88 | 153.5 | 39.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 438 | D | 31.2 | Very low | 32.4 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | trans | 68.2 | 119.2 | -177.4 | -59.6 | -54.1 | 0 | 0 | 0 | 114.1 | | |
| 439 | K | 28.2 | Very low | 32.7 | Very low | 185 Ų | 185 | 129.6 Ų | 129.6 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | | | | 89.8 | 163.3 | 54.5 | -85.3 | -172.3 | 173.3 | 179.8 | 0 | 112.5 | | |
| 440 | V | 30.2 | Very low | 33 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | | | trans | 85.9 | 93.6 | 168.2 | -172.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 441 | T | 32.3 | Very low | 33.5 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | | | | 88.2 | 135.6 | 90.2 | -57.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 442 | Y | 32.6 | Very low | 33.5 | Very low | 211 Ų | 211 | 131.5 Ų | 131.5 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | | | | -142.4 | 159.2 | 55.2 | -79 | -96.2 | 0 | 0 | 0 | 113.7 | | |
| 443 | G | 35.9 | Very low | 33.2 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 73% | 0.732 | 74% | 0.739 | S | S | * | * | | | trans | 179.3 | -5.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 444 | N | 36.5 | Very low | 33.4 | Very low | 141 Ų | 141 | 130.8 Ų | 130.8 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | | | trans | 53.5 | 140.6 | 165.4 | -61.4 | -0.4 | 0 | 0 | 0 | 122.3 | | |
| 445 | S | 35.1 | Very low | 33.5 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | | | trans | 61.9 | 134.2 | 159.9 | 53.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 446 | C | 35.9 | Very low | 33.8 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 72% | 0.716 | 75% | 0.751 | S | S | * | * | | | cis | -152.2 | 147.3 | -7.5 | -97.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 447 | D | 36 | Very low | 33.8 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | | | trans | 32.8 | 136.4 | 136.1 | -47.9 | -37.8 | 0 | 0 | 0 | 121.3 | | |
| 448 | A | 38.6 | Very low | 34.1 | Very low | 80 Ų | 80 | 131.5 Ų | 131.5 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | | | cis | -161.9 | 162.2 | -3.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 449 | D | 38.1 | Very low | 34.1 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | | | trans | 57.1 | 148.1 | 149.9 | -69.4 | -18.8 | 0 | 0 | 0 | 123.9 | | |
| 450 | S | 34.6 | Very low | 34.5 | Very low | 94 Ų | 94 | 127.7 Ų | 127.7 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | | | cis | -167.2 | 174.7 | -23.9 | 57.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 451 | V | 39.6 | Very low | 34.7 | Very low | 133 Ų | 133 | 128 Ų | 128 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | | | trans | 72.8 | 125.4 | 167.9 | -168.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 452 | K | 33.7 | Very low | 34.6 | Very low | 200 Ų | 200 | 131 Ų | 131 | 87% | 0.87 | 77% | 0.765 | S | S | * | * | | | trans | -152.4 | 134.6 | 179 | 170.1 | -172.8 | 179.5 | -179.1 | 0 | 108.2 | | |
| 453 | T | 34.1 | Very low | 34.6 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | | | trans | -136.1 | 106.6 | -179.4 | -25.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 454 | M | 31.4 | Very low | 34.4 | Very low | 139 Ų | 139 | 130.1 Ų | 130.1 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | | | trans | 37 | 117.7 | 151.1 | -58.5 | 179.4 | 71.1 | 0 | 0 | 121.1 | M456 | M454-M456 HydrophobicContact CE-CG 4.28Å; M454-M456 HydrophobicContact CE-SD 4.34Å |
| 455 | P | 33.2 | Very low | 34.3 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | | | trans | -81.6 | 134.7 | 133.1 | 33.7 | -27.8 | 0 | 0 | 0 | 109.6 | | |
| 456 | M | 35.3 | Very low | 34 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | | | trans | -107.9 | 133.6 | 175.8 | -155 | 175.2 | 96.1 | 0 | 0 | 111 | M454 | M454-M456 HydrophobicContact CE-CG 4.28Å; M454-M456 HydrophobicContact CE-SD 4.34Å |
| 457 | V | 30 | Very low | 33.6 | Very low | 117 Ų | 117 | 137 Ų | 137 | 71% | 0.709 | 76% | 0.759 | S | S | * | * | | | trans | -90.8 | 148.7 | 177 | 171.4 | 0 | 0 | 0 | 0 | 109.7 | V459 | V457-V459 HydrophobicContact CG1-CG2 3.74Š|
| 458 | S | 33.4 | Very low | 33.4 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | | | trans | -145 | 144.3 | 162.9 | -70.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 459 | V | 31.6 | Very low | 32.8 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | trans | -121.2 | -156.1 | -157.7 | -146 | 0 | 0 | 0 | 0 | 111.1 | V457 | V457-V459 HydrophobicContact CG1-CG2 3.74Š|
| 460 | P | 37.4 | Very low | 32.4 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | | | trans | -109.6 | -179.8 | -133.4 | 42.1 | -26.6 | 0 | 0 | 0 | 114.3 | | |
| 461 | S | 33.6 | Very low | 32.1 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | | | trans | -155.4 | 163.6 | 154.8 | -80.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 462 | E | 30.8 | Very low | 31.5 | Very low | 172 Ų | 172 | 139.4 Ų | 139.4 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -105.6 | -175.8 | -160.5 | -57.6 | -178.8 | 142 | 0 | 0 | 114.8 | | |
| 463 | N | 32.5 | Very low | 31.4 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | | | trans | 89.5 | 91 | 148.3 | -70.8 | -55.1 | 0 | 0 | 0 | 121.3 | | |
| 464 | L | 31.9 | Very low | 31.1 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 71% | 0.707 | 77% | 0.766 | S | S | * | * | | | | 95.3 | 124.3 | 104.2 | -158 | 69 | 0 | 0 | 0 | 120.1 | | |
| 465 | K | 33 | Very low | 31 | Very low | 172 Ų | 172 | 139.4 Ų | 139.4 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | trans | 74.5 | 115.6 | 162.3 | -75.8 | 157 | -174.2 | 174.6 | 0 | 120 | | |
| 466 | R | 28.8 | Very low | 30.9 | Very low | 238 Ų | 238 | 140.5 Ų | 140.5 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | | | | 29.5 | 141.8 | 122.2 | -56.9 | -178.1 | 177.3 | 168.9 | -2.1 | 118.7 | | |
| 467 | S | 28.5 | Very low | 30.5 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | | | cis | -148.7 | 168.3 | 29.7 | -48.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 468 | D | 30.5 | Very low | 30.5 | Very low | 158 Ų | 158 | 141 Ų | 141 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | | | trans | 70.9 | 131.5 | 150.7 | -50.8 | -32.9 | 0 | 0 | 0 | 121 | | |
| 469 | S | 27.7 | Very low | 30.2 | Very low | 113 Ų | 113 | 144 Ų | 144 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | trans | -110.2 | 105.5 | -159.1 | 43.3 | 0 | 0 | 0 | 0 | 113.8 | N471 | S469-N471 PolarHBondContact O-N 3.02Š|
| 470 | I | 28.4 | Very low | 29.9 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 82% | 0.821 | 78% | 0.778 | S | S | * | * | | | trans | -94.8 | 74 | 161.9 | -52.6 | 179 | 0 | 0 | 0 | 108.5 | S472 | I470-S472 VanDerWaalsContact C-N 3.32Å; I470-S472 PolarHBondContact O-N 3.05Å |
| 471 | N | 28.8 | Very low | 29.4 | Very low | 130 Ų | 130 | 147.7 Ų | 147.7 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | | | trans | -91.6 | 61.3 | -178.8 | -157.3 | 0.9 | 0 | 0 | 0 | 112.5 | S469 N473 | S469-N471 PolarHBondContact O-N 3.02Å; N471-N473 VanDerWaalsContact C-N 3.34Å; N471-N473 PolarHBondContact O-N 3.31Å; N471-N473 PolarHBondContact OD1-ND2 2.9Å |
| 472 | S | 27.9 | Very low | 29.1 | Very low | 103 Ų | 103 | 148.8 Ų | 148.8 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | | | trans | -78.3 | 76.4 | 175.9 | 59.7 | 0 | 0 | 0 | 0 | 111.5 | I470 | I470-S472 VanDerWaalsContact C-N 3.32Å; I470-S472 PolarHBondContact O-N 3.05Å |
| 473 | N | 30.1 | Very low | 29 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | | | trans | -118.1 | 141 | -176.8 | -91.8 | -56.4 | 0 | 0 | 0 | 114.5 | N471 | N471-N473 VanDerWaalsContact C-N 3.34Å; N471-N473 PolarHBondContact O-N 3.31Å; N471-N473 PolarHBondContact OD1-ND2 2.9Å |
| 474 | K | 29.1 | Very low | 28.8 | Very low | 209 Ų | 209 | 143 Ų | 143 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | | | trans | -94.7 | 122.5 | -170.2 | -64.9 | 164.4 | 177.6 | 165.5 | 0 | 112.6 | | |
| 475 | S | 27.8 | Very low | 28.6 | Very low | 111 Ų | 111 | 144 Ų | 144 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | -166.3 | 151.8 | 152.8 | 58 | 0 | 0 | 0 | 0 | 108.9 | | |
| 476 | H | 32.1 | Very low | 28.5 | Very low | 152 Ų | 152 | 140.8 Ų | 140.8 | 70% | 0.704 | 78% | 0.781 | S | S | * | * | | | cis | -140.2 | 99.7 | -16.2 | -162.4 | 84.3 | 0 | 0 | 0 | 108.1 | H478 | H476-H478 AromaticContact CD2-CD2 3.89Å; H476-H478 AromaticContact CD2-NE2 3.56Å; H476-H478 AromaticContact NE2-NE2 3.9Å; H476-H478 PolarHBondContact O-N 2.76Å |
| 477 | C | 26.3 | Very low | 28.4 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | | | trans | -84.1 | 96.2 | -171.4 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | Q479 | C477-Q479 PolarHBondContact O-N 2.9Å; C477-Q479 VanDerWaalsContact O-N 3.15Å |
| 478 | H | 30.5 | Very low | 28.5 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | | | trans | -68.4 | 110.9 | 170.6 | -87 | -68 | 0 | 0 | 0 | 111.2 | H476 | H476-H478 AromaticContact CD2-CD2 3.89Å; H476-H478 AromaticContact CD2-NE2 3.56Å; H476-H478 AromaticContact NE2-NE2 3.9Å; H476-H478 PolarHBondContact O-N 2.76Å |
| 479 | Q | 27 | Very low | 28.6 | Very low | 168 Ų | 168 | 137.3 Ų | 137.3 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | trans | -77.8 | 128.2 | 172.3 | -63.1 | 173.5 | -18.4 | 0 | 0 | 109.9 | C477 | C477-Q479 PolarHBondContact O-N 2.9Å; C477-Q479 VanDerWaalsContact O-N 3.15Å |
| 480 | F | 26.1 | Very low | 28.7 | Very low | 204 Ų | 204 | 139.4 Ų | 139.4 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | | | trans | -123.2 | 119.8 | 149.4 | -88.6 | -77 | 0 | 0 | 0 | 109.2 | | |
| 481 | S | 25.7 | Very low | 29 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | trans | -95.5 | 124.5 | 173.5 | -64.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 482 | V | 28.5 | Very low | 28.9 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 90% | 0.903 | 78% | 0.778 | S | S | * | * | | | trans | -121 | 103.3 | 152 | -178.1 | 0 | 0 | 0 | 0 | 106.6 | | |
| 483 | A | 28.8 | Very low | 29.2 | Very low | 89 Ų | 89 | 140.4 Ų | 140.4 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | | | trans | -82.7 | 163.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 484 | A | 26.7 | Very low | 29.2 | Very low | 88 Ų | 88 | 138.2 Ų | 138.2 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | -51 | 172.6 | -178 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 485 | L | 28.3 | Very low | 29.4 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | 135.5 | 117.4 | 149 | -70.9 | 170.1 | 0 | 0 | 0 | 107.7 | | |
| 486 | T | 30.3 | Very low | 29.6 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 64% | 0.644 | 78% | 0.781 | S | S | * | * | | | cis | 59.7 | 106 | 38 | 81.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 487 | D | 28.3 | Very low | 29.5 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 60% | 0.599 | 79% | 0.787 | S | S | * | * | | | trans | 36.3 | 102.5 | 159.8 | -53.4 | -12.8 | 0 | 0 | 0 | 117.4 | K188 | K188-D487 IonicContact NZ-OD2 3.51Å; K188-D487 PolarHBondContact NZ-OD2 3.4Å |
| 488 | E | 29.8 | Very low | 29.8 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | | | | 175.4 | 150.6 | 103.9 | -99.7 | 174.7 | -154.8 | 0 | 0 | 114.6 | | |
| 489 | V | 32.9 | Very low | 29.8 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | | | trans | 70.2 | 139.4 | 151.9 | 170.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 490 | M | 28.4 | Very low | 30.2 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | -75.8 | 158.7 | 175.1 | -48.3 | -171.3 | -60.5 | 0 | 0 | 111.9 | | |
| 491 | H | 35.8 | Very low | 30.6 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | | | | 178.4 | 158.6 | 128 | -87.9 | -53.5 | 0 | 0 | 0 | 110.6 | | |
| 492 | S | 27.6 | Very low | 30.9 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | -119.7 | 122.4 | -162.1 | -46.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 493 | S | 32.4 | Very low | 31 | Very low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | trans | -178.3 | 116.2 | 156.4 | 51.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 494 | A | 30.7 | Very low | 31.2 | Very low | 94 Ų | 94 | 139.6 Ų | 139.6 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | | | | 78.7 | 124.3 | 52.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 495 | Q | 33 | Very low | 31.3 | Very low | 196 Ų | 196 | 142.3 Ų | 142.3 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | | | trans | 65.6 | 150.7 | 172.9 | -70.4 | 178.8 | -11.5 | 0 | 0 | 116.7 | | |
| 496 | S | 32.1 | Very low | 31.5 | Very low | 104 Ų | 104 | 144.1 Ų | 144.1 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | cis | -148.7 | 179.1 | -14.2 | -152.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 497 | E | 31.3 | Very low | 31.4 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | | | trans | -55.7 | 149.7 | 173 | -54.3 | 165.8 | 136.7 | 0 | 0 | 114.3 | | |
| 498 | E | 32.7 | Very low | 31.7 | Very low | 193 Ų | 193 | 149 Ų | 149 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | | | | -179.7 | -175.8 | 104.6 | -166.9 | 149.7 | -148.1 | 0 | 0 | 110.2 | | |
| 499 | S | 30.4 | Very low | 31.7 | Very low | 102 Ų | 102 | 145.7 Ų | 145.7 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | | | trans | -135.4 | 166.8 | -154.7 | -58 | 0 | 0 | 0 | 0 | 116.5 | | |
| 500 | K | 35 | Very low | 31.8 | Very low | 196 Ų | 196 | 145.8 Ų | 145.8 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | | | trans | 86.4 | 144.3 | 153.2 | -68.4 | 166.3 | -179.2 | 169.5 | 0 | 121.7 | | |
| 501 | S | 34.2 | Very low | 32.1 | Very low | 109 Ų | 109 | 147.9 Ų | 147.9 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | | | trans | 61.2 | 91.5 | 149.6 | 49.4 | 0 | 0 | 0 | 0 | 122.3 | | |
| 502 | Q | 31 | Very low | 31.9 | Very low | 181 Ų | 181 | 147.9 Ų | 147.9 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | | | | 15.1 | 124.4 | 115.8 | -176.4 | -178.2 | 1.6 | 0 | 0 | 119.1 | | |
| 503 | T | 31.7 | Very low | 32.4 | Very low | 117 Ų | 117 | 148.1 Ų | 148.1 | 72% | 0.718 | 81% | 0.81 | S | S | * | * | | | | 172.3 | 100.9 | 122.4 | -70.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 504 | T | 31.9 | Very low | 32.7 | Very low | 121 Ų | 121 | 148.2 Ų | 148.2 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | | | trans | 59.3 | 139.5 | 134.7 | -29.5 | 0 | 0 | 0 | 0 | 123.5 | | |
| 505 | I | 29.3 | Very low | 32.8 | Very low | 146 Ų | 146 | 147.2 Ų | 147.2 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | | | trans | 65.3 | 100.5 | 163.6 | -13.4 | 172.4 | 0 | 0 | 0 | 120.2 | | |
| 506 | K | 33.8 | Very low | 32.9 | Very low | 195 Ų | 195 | 148.1 Ų | 148.1 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | | | | 175.7 | 119.3 | 103.6 | -93.2 | 169.9 | -173.9 | 168.6 | 0 | 111.4 | | |
| 507 | S | 28.3 | Very low | 32.9 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | | | trans | -76.8 | 131 | 178.9 | 42.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 508 | K | 34.1 | Very low | 32.9 | Very low | 198 Ų | 198 | 154.5 Ų | 154.5 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | | | trans | -140.7 | 106.5 | 165.1 | -76.5 | -174 | 177 | 176.4 | 0 | 109.6 | P510 | K508-P510 WeakPolarHBondContact O-CD 3.47Š|
| 509 | S | 29.7 | Very low | 32.8 | Very low | 113 Ų | 113 | 151.8 Ų | 151.8 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 127.6 | 178.2 | -47.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 510 | P | 35.5 | Very low | 32.9 | Very low | 127 Ų | 127 | 154.1 Ų | 154.1 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 135.9 | 165 | -20.6 | 33.8 | 0 | 0 | 0 | 110.5 | K508 | K508-P510 WeakPolarHBondContact O-CD 3.47Š|
| 511 | K | 33.5 | Very low | 32.7 | Very low | 200 Ų | 200 | 153 Ų | 153 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82 | 138.5 | 179.2 | -67 | 177.9 | 178.7 | 178 | 0 | 110.8 | | |
| 512 | H | 31.2 | Very low | 32.7 | Very low | 180 Ų | 180 | 155.4 Ų | 155.4 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 135.9 | 164.1 | -92.9 | -83.2 | 0 | 0 | 0 | 111.1 | | |
| 513 | P | 38.8 | Very low | 32.7 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 127.4 | 145.5 | 31.2 | -29.7 | 0 | 0 | 0 | 108.3 | | |
| 514 | S | 39.3 | Very low | 32.7 | Very low | 116 Ų | 116 | 152 Ų | 152 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 139.3 | -172.5 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 515 | G | 32.7 | Very low | 32.6 | Very low | 73 Ų | 73 | 154.5 Ų | 154.5 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | | | trans | 48.3 | 113.4 | 145.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 516 | K | 33.7 | Very low | 32.8 | Very low | 214 Ų | 214 | 155.4 Ų | 155.4 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | | | trans | -145.4 | 110.5 | 135.7 | -108.2 | 157.7 | -169.9 | 173.5 | 0 | 110.6 | | |
| 517 | K | 32.9 | Very low | 32.7 | Very low | 213 Ų | 213 | 151.9 Ų | 151.9 | 93% | 0.926 | 77% | 0.765 | S | S | * | * | | | trans | -68.3 | 130.8 | 169.3 | -66.9 | 176.3 | 178.5 | 175.6 | 0 | 108.8 | | |
| 518 | R | 30.6 | Very low | 32.9 | Very low | 205 Ų | 205 | 152.6 Ų | 152.6 | 77% | 0.774 | 76% | 0.758 | S | S | * | * | | | trans | -151.5 | 104 | 160.5 | -162.8 | 168.3 | 175.8 | 137.6 | 7.7 | 112.4 | Y520 | R518-Y520 HydrophobicContact CG-CD2 3.99Å; R518-Y520 HydrophobicContact CG-CE2 3.94Å; R518-Y520 VanDerWaalsContact NE-CE2 3.33Å; R518-Y520 PolarHBondContact NH2-OH 2.91Å |
| 519 | T | 31.5 | Very low | 32.9 | Very low | 136 Ų | 136 | 147.7 Ų | 147.7 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | | | trans | -76.3 | 126.5 | 177.3 | -47.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 520 | Y | 31.8 | Very low | 33 | Very low | 152 Ų | 152 | 148.1 Ų | 148.1 | 60% | 0.596 | 73% | 0.73 | S | S | * | * | | | trans | -144.4 | 143.2 | 163.6 | -89.8 | -85.5 | 0 | 0 | 0 | 113.2 | R518 | R518-Y520 HydrophobicContact CG-CD2 3.99Å; R518-Y520 HydrophobicContact CG-CE2 3.94Å; R518-Y520 VanDerWaalsContact NE-CE2 3.33Å; R518-Y520 PolarHBondContact NH2-OH 2.91Å |
| 521 | R | 30.7 | Very low | 33 | Very low | 172 Ų | 172 | 147.3 Ų | 147.3 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | | | trans | -106 | 175.5 | 166.5 | -95.8 | 178.3 | 149.6 | 169.6 | -9.1 | 109.2 | P1419 N1420 | R521-P1419 HydrophobicContact CG-CB 4.27Å; R521-N1420 PolarHBondContact NH2-O 3.22Å; R521-N1420 VanDerWaalsContact NH2-O 3.13Å |
| 522 | K | 34.3 | Very low | 33.1 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | | | trans | 83.1 | 118.1 | 176.9 | -58.3 | -172.2 | 175.7 | -170.2 | 0 | 112.4 | R1417 F1418 | K522-R1417 WeakPolarHBondContact O-CB 3.45Å; K522-F1418 CarbonylContact C-O 3.23Å; K522-F1418 VanDerWaalsContact C-O 3.23Å; K522-F1418 PolarHBondContact N-O 2.94Å |
| 523 | S | 31.4 | Very low | 33.3 | Very low | 52 Ų | 52 | 144.7 Ų | 144.7 | 36% | 0.364 | 72% | 0.718 | S | S | . | * | | | | 79 | 120.9 | 50.6 | 77.4 | 0 | 0 | 0 | 0 | 114.7 | R1417 F1418 | S523-R1417 PolarHBondContact N-O 3.41Å; S523-R1417 VanDerWaalsContact N-O 3.1Å; S523-F1418 PolarHBondContact N-O 3.1Å; S523-F1418 VanDerWaalsContact N-O 3.15Å |
| 524 | E | 31 | Very low | 33.1 | Very low | 174 Ų | 174 | 144.1 Ų | 144.1 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | | | trans | 66.4 | 156.3 | 174.3 | -58.6 | 174.4 | 122.1 | 0 | 0 | 113.7 | | |
| 525 | Q | 31.5 | Very low | 33 | Very low | 174 Ų | 174 | 147 Ų | 147 | 81% | 0.813 | 71% | 0.706 | S | S | * | * | | | cis | -141.6 | -177.8 | 16.9 | -167.3 | 165.1 | -38.1 | 0 | 0 | 111.6 | | |
| 526 | R | 32.6 | Very low | 33 | Very low | 166 Ų | 166 | 153 Ų | 153 | 63% | 0.626 | 71% | 0.707 | S | S | * | * | | | trans | -71.1 | 157.5 | -176.6 | -45.1 | 169.1 | -164.6 | 149.8 | -0.2 | 113.5 | Y557 | R526-Y557 PolarHBondContact NH2-OH 3.36Š|
| 527 | D | 32.5 | Very low | 33 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 65% | 0.647 | 69% | 0.691 | S | S | * | * | | | | -169.8 | 166.2 | 101.2 | -91.8 | -18.2 | 0 | 0 | 0 | 113 | | |
| 528 | I | 31.9 | Very low | 33 | Very low | 135 Ų | 135 | 143.9 Ų | 143.9 | 69% | 0.692 | 68% | 0.681 | S | S | * | * | | | trans | -120.5 | 155.7 | -163.2 | -68.5 | 165.3 | 0 | 0 | 0 | 111.2 | N1411 | I528-N1411 CarbonylContact C-O 3.21Š|
| 529 | K | 35 | Very low | 33.1 | Very low | 94 Ų | 94 | 145.2 Ų | 145.2 | 41% | 0.409 | 69% | 0.686 | S | S | . | * | | | trans | 167.5 | 175.8 | 144.9 | -92.9 | 160 | -166.2 | 179.9 | 0 | 113.1 | I1409 N1410 N1411 | K529-I1409 WeakPolarHBondContact CB-O 3.43Å; K529-I1409 HydrophobicContact CD-CG2 3.63Å; K529-I1409 WeakPolarHBondContact CD-O 3.38Å; K529-I1409 VanDerWaalsContact CG-O 3.23Å; K529-I1409 WeakPolarHBondContact CG-O 3.12Å; K529-I1409 VanDerWaalsContact NZ-CG2 3.26Å; K529-N1410 VanDerWaalsContact CB-C 3.46Å; K529-N1410 VanDerWaalsContact CD-C 3.47Å; K529-N1410 WeakPolarHBondContact CD-O 3.27Å; K529-N1410 PolarHBondContact NZ-O 2.9Å; K529-N1411 HydrophobicContact CB-CB 3.92Å; K529-N1411 HydrophobicContact CD-CB 4.03Å; K529-N1411 PolarHBondContact N-O 3.46Å |
| 530 | N | 31 | Very low | 33.2 | Very low | 122 Ų | 122 | 147 Ų | 147 | 65% | 0.652 | 68% | 0.684 | S | S | * | * | | | trans | -123.8 | 154.7 | -152.9 | -57 | -37.4 | 0 | 0 | 0 | 117.2 | | |
| 531 | S | 35.9 | Very low | 33.3 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 77% | 0.769 | 68% | 0.68 | S | S | * | * | | | trans | -170 | 120.1 | 142.6 | 50 | 0 | 0 | 0 | 0 | 107.6 | | |
| 532 | V | 36 | Very low | 33.5 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 69% | 0.691 | 68% | 0.677 | S | S | * | * | | | cis | 88.6 | 140.6 | 38.3 | -176.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 533 | Y | 33.5 | Very low | 33.4 | Very low | 211 Ų | 211 | 142 Ų | 142 | 83% | 0.827 | 67% | 0.673 | S | S | * | * | | | trans | 75.7 | 133.4 | -168.9 | -61.7 | -77.4 | 0 | 0 | 0 | 114.3 | | |
| 534 | D | 36 | Very low | 33.4 | Very low | 113 Ų | 113 | 147.4 Ų | 147.4 | 60% | 0.604 | 70% | 0.699 | S | S | * | * | | | cis | -165 | 169.2 | -5.6 | -149.3 | 7.8 | 0 | 0 | 0 | 106.6 | | |
| 535 | K | 36.2 | Very low | 33.6 | Very low | 176 Ų | 176 | 146 Ų | 146 | 77% | 0.765 | 69% | 0.69 | S | S | * | * | | | cis | -145.5 | 176.1 | 18.5 | -87.6 | -175.9 | 178.5 | 176.3 | 0 | 113.1 | | |
| 536 | Y | 34 | Very low | 33.6 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 78% | 0.78 | 68% | 0.679 | S | S | * | * | | | trans | -68 | 154.9 | 169.9 | -66.2 | -105.6 | 0 | 0 | 0 | 112.9 | | |
| 537 | S | 32.7 | Very low | 33.7 | Very low | 84 Ų | 84 | 142.7 Ų | 142.7 | 59% | 0.587 | 69% | 0.688 | S | S | * | * | | | cis | 100.2 | 145.8 | 16.9 | -161.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 538 | H | 33.5 | Very low | 33.7 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 71% | 0.708 | 68% | 0.684 | S | S | * | * | | | trans | 69.7 | 134.2 | 173.6 | -53.9 | -65.1 | 0 | 0 | 0 | 117.3 | | |
| 539 | R | 32.9 | Very low | 33.6 | Very low | 233 Ų | 233 | 144 Ų | 144 | 88% | 0.879 | 69% | 0.691 | S | S | * | * | | | | -121 | 142.6 | 57 | -66.9 | -163.7 | 176.5 | -149.7 | 0.9 | 116.4 | | |
| 540 | H | 33.4 | Very low | 33.5 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 80% | 0.801 | 70% | 0.704 | S | S | * | * | | | trans | -138.5 | 114.7 | 162.6 | -156.4 | -25 | 0 | 0 | 0 | 105.9 | | |
| 541 | N | 34 | Very low | 33.4 | Very low | 97 Ų | 97 | 146.7 Ų | 146.7 | 52% | 0.519 | 71% | 0.708 | S | S | . | * | | | trans | -111.8 | 161.9 | 164 | -72.1 | 55.7 | 0 | 0 | 0 | 105.2 | | |
| 542 | E | 33.9 | Very low | 33.3 | Very low | 125 Ų | 125 | 151.5 Ų | 151.5 | 58% | 0.584 | 72% | 0.715 | S | S | * | * | | | cis | -170.9 | 145.9 | -19.5 | -107.2 | 170.8 | 138.3 | 0 | 0 | 102.9 | | |
| 543 | Y | 32.9 | Very low | 33 | Very low | 155 Ų | 155 | 151.8 Ų | 151.8 | 61% | 0.608 | 71% | 0.713 | S | S | * | * | | | cis | -134.2 | 143.8 | 6.2 | -94.3 | -86 | 0 | 0 | 0 | 109.6 | K545 | Y543-K545 HydrophobicContact CD1-CB 4.37Å; Y543-K545 HydrophobicContact CD1-CD 3.79Å; Y543-K545 HydrophobicContact CD1-CG 4.18Å; Y543-K545 HydrophobicContact CE1-CD 3.81Å; Y543-K545 HydrophobicContact CE1-CG 4.5Å |
| 544 | D | 31.5 | Very low | 32.8 | Very low | 167 Ų | 167 | 149.1 Ų | 149.1 | 89% | 0.893 | 71% | 0.713 | S | S | * | * | | | trans | -135.5 | 129.7 | 143.4 | -168.4 | 2.9 | 0 | 0 | 0 | 107.5 | | |
| 545 | K | 35.1 | Very low | 32.6 | Very low | 144 Ų | 144 | 149.3 Ų | 149.3 | 63% | 0.626 | 72% | 0.72 | S | S | * | * | | | trans | -129.6 | 87.3 | -158.5 | -138.9 | 177 | -169.5 | 168.4 | 0 | 112.5 | Y543 | Y543-K545 HydrophobicContact CD1-CB 4.37Å; Y543-K545 HydrophobicContact CD1-CD 3.79Å; Y543-K545 HydrophobicContact CD1-CG 4.18Å; Y543-K545 HydrophobicContact CE1-CD 3.81Å; Y543-K545 HydrophobicContact CE1-CG 4.5Å |
| 546 | S | 32.2 | Very low | 32.3 | Very low | 84 Ų | 84 | 147.1 Ų | 147.1 | 59% | 0.587 | 72% | 0.722 | S | S | * | * | | | trans | 66.6 | 148.2 | 136.4 | 68 | 0 | 0 | 0 | 0 | 118.2 | | |
| 547 | F | 33.9 | Very low | 31.9 | Very low | 187 Ų | 187 | 146.2 Ų | 146.2 | 82% | 0.82 | 72% | 0.718 | S | S | * | * | | | cis | -126 | 136 | 14.5 | -84.3 | -104.6 | 0 | 0 | 0 | 109.5 | | |
| 548 | A | 31.5 | Very low | 31.8 | Very low | 67 Ų | 67 | 149.1 Ų | 149.1 | 55% | 0.554 | 73% | 0.733 | S | S | * | * | | | | 61 | 104.7 | 76.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 549 | Y | 31.2 | Very low | 31.5 | Very low | 216 Ų | 216 | 148.5 Ų | 148.5 | 85% | 0.847 | 73% | 0.734 | S | S | * | * | | | | 85.2 | 162.3 | 88.5 | -84.8 | -58.4 | 0 | 0 | 0 | 112.9 | | |
| 550 | P | 33 | Very low | 31.1 | Very low | 106 Ų | 106 | 148 Ų | 148 | 69% | 0.688 | 73% | 0.733 | S | S | * | * | | | cis | -130.8 | 171.1 | -12.7 | 27.8 | -5.6 | 0 | 0 | 0 | 116.1 | | |
| 551 | K | 29.4 | Very low | 30.8 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | | | trans | 10.7 | 142.5 | 146 | -50.4 | 176.2 | -177.7 | -177.8 | 0 | 120.7 | | |
| 552 | F | 32.5 | Very low | 30.4 | Very low | 212 Ų | 212 | 145.9 Ų | 145.9 | 93% | 0.93 | 74% | 0.741 | S | S | * | * | | | | -147.4 | 148 | 119.3 | -117.4 | -77.2 | 0 | 0 | 0 | 111.2 | | |
| 553 | D | 29.3 | Very low | 29.9 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | | | trans | -102.9 | 147.1 | -169.6 | -54.3 | -92.2 | 0 | 0 | 0 | 112.9 | | |
| 554 | N | 30.2 | Very low | 29.8 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | | | | -179.6 | 126.5 | 129.7 | -102.9 | -57.4 | 0 | 0 | 0 | 113.7 | | |
| 555 | P | 30.8 | Very low | 29.9 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | | | trans | -111.7 | 128 | 170.1 | 35.8 | -25.5 | 0 | 0 | 0 | 112.3 | | |
| 556 | T | 30.5 | Very low | 29.6 | Very low | 130 Ų | 130 | 145 Ų | 145 | 80% | 0.798 | 76% | 0.76 | S | S | * | * | | | trans | -144.1 | 142.3 | 174.5 | -50.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 557 | Y | 26.3 | Very low | 29.6 | Very low | 180 Ų | 180 | 148.9 Ų | 148.9 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | -70.7 | 141.5 | 172.8 | -81.5 | -142.3 | 0 | 0 | 0 | 111.4 | R526 | R526-Y557 PolarHBondContact NH2-OH 3.36Š|
| 558 | T | 30.8 | Very low | 29.6 | Very low | 144 Ų | 144 | 143.2 Ų | 143.2 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | | | trans | -130.8 | 121.3 | 137.7 | 38.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 559 | N | 25.4 | Very low | 29.5 | Very low | 140 Ų | 140 | 147.5 Ų | 147.5 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | | | trans | -87.9 | 145.6 | 169.5 | -158.6 | -20.9 | 0 | 0 | 0 | 107.7 | | |
| 560 | R | 25.4 | Very low | 29.7 | Very low | 224 Ų | 224 | 143.1 Ų | 143.1 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | | | trans | 69.4 | 123.4 | 179.6 | -46 | 169.2 | 179.4 | -176.9 | -1.5 | 116.9 | | |
| 561 | C | 26.3 | Very low | 29.8 | Very low | 122 Ų | 122 | 146.5 Ų | 146.5 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | | -151.1 | 169.3 | 117.3 | -94 | 0 | 0 | 0 | 0 | 108.8 | | |
| 562 | P | 26.2 | Very low | 29.7 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | | | trans | -64.3 | 167.4 | 171.3 | -16.1 | 32.9 | 0 | 0 | 0 | 111.3 | | |
| 563 | I | 24.4 | Very low | 29.4 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | | 43.9 | 141.1 | 77.1 | -34.7 | 177.2 | 0 | 0 | 0 | 112.5 | | |
| 564 | V | 30.5 | Very low | 29.5 | Very low | 117 Ų | 117 | 145.7 Ų | 145.7 | 71% | 0.709 | 78% | 0.78 | S | S | * | * | | | trans | 74.1 | 123.5 | 175.4 | -171 | 0 | 0 | 0 | 0 | 113.4 | | |
| 565 | D | 32.2 | Very low | 29.2 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | | | cis | -155 | 165.2 | -12.6 | -110.4 | -11.8 | 0 | 0 | 0 | 110.5 | | |
| 566 | N | 29.1 | Very low | 29.1 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | | | trans | -82.6 | 125.1 | 169.3 | -73.4 | -48.3 | 0 | 0 | 0 | 111 | | |
| 567 | N | 32.5 | Very low | 29.2 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | | | trans | -166.5 | 147.7 | 161.7 | -111.9 | -38.7 | 0 | 0 | 0 | 113.8 | | |
| 568 | G | 33.6 | Very low | 29.3 | Very low | 67 Ų | 67 | 139 Ų | 139 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | | | trans | 70 | 114.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 569 | N | 30.5 | Very low | 29.2 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | | | cis | 68.9 | 78.8 | 16.7 | -154.2 | 18.5 | 0 | 0 | 0 | 115.9 | | |
| 570 | N | 35.4 | Very low | 29.3 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | | | trans | -159.6 | 128.4 | 156.5 | -94.1 | -45.6 | 0 | 0 | 0 | 108.3 | | |
| 571 | K | 33.7 | Very low | 29.7 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | | | | 55.9 | 103.4 | 100.4 | -60.5 | 177.5 | -163.5 | 155.6 | 0 | 113.4 | | |
| 572 | S | 27.1 | Very low | 30 | Very low | 90 Ų | 90 | 139.9 Ų | 139.9 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | | | | 81.5 | 124.6 | 61.3 | 73.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 573 | W | 27.9 | Very low | 30.2 | Very low | 242 Ų | 242 | 138.6 Ų | 138.6 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | | | trans | 70.3 | 140.2 | 179.6 | -48 | -14.9 | 0 | 0 | 0 | 112.6 | | |
| 574 | N | 29.5 | Very low | 30.5 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | cis | -102.4 | 160.5 | 21.9 | -61.8 | -37.3 | 0 | 0 | 0 | 112.1 | | |
| 575 | S | 25.6 | Very low | 30.3 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | | | cis | 62.8 | 122.1 | 48.7 | -170.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 576 | T | 28.2 | Very low | 30.2 | Very low | 136 Ų | 136 | 139.1 Ų | 139.1 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | | | trans | 57.1 | 134.8 | 155 | 45.8 | 0 | 0 | 0 | 0 | 120.2 | | |
| 577 | G | 32.4 | Very low | 30 | Very low | 64 Ų | 64 | 140.5 Ų | 140.5 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | | | trans | 92.9 | 116.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 578 | N | 28.8 | Very low | 29.9 | Very low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | | | | 95.7 | 134 | 55.4 | -77.1 | 19.9 | 0 | 0 | 0 | 111.7 | | |
| 579 | D | 28.6 | Very low | 29.5 | Very low | 146 Ų | 146 | 140 Ų | 140 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | | | trans | 68.1 | 109.5 | 162.9 | -54.5 | -45.8 | 0 | 0 | 0 | 121.1 | | |
| 580 | S | 27.8 | Very low | 29.3 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | 40.7 | 105.2 | 136.8 | -59.8 | 0 | 0 | 0 | 0 | 121.2 | | |
| 581 | L | 33.7 | Very low | 29 | Very low | 184 Ų | 184 | 139.3 Ų | 139.3 | 96% | 0.963 | 79% | 0.79 | S | S | * | * | | | | -172.5 | 167.9 | 115.9 | -99.5 | 158 | 0 | 0 | 0 | 111.6 | | |
| 582 | K | 31.5 | Very low | 28.9 | Very low | 208 Ų | 208 | 134 Ų | 134 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | | | trans | -143.1 | 114.7 | -157.3 | -173.9 | 178.8 | -174.8 | 175.9 | 0 | 112.8 | | |
| 583 | G | 30.9 | Very low | 29 | Very low | 77 Ų | 77 | 135.1 Ų | 135.1 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | trans | -174.5 | 137.6 | 176 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 584 | A | 30.1 | Very low | 29.1 | Very low | 94 Ų | 94 | 130.2 Ų | 130.2 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | | | trans | 40.2 | 91.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | Y586 | A584-Y586 PolarHBondContact O-N 3.1Š|
| 585 | S | 28.2 | Very low | 29.2 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | trans | -74.3 | 116.4 | 161.8 | 55.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 586 | Y | 28.6 | Very low | 29.5 | Very low | 205 Ų | 205 | 132.6 Ų | 132.6 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -118.4 | 179 | 171.7 | -106.1 | -111 | 0 | 0 | 0 | 110.6 | A584 | A584-Y586 PolarHBondContact O-N 3.1Š|
| 587 | F | 26.3 | Very low | 29.4 | Very low | 186 Ų | 186 | 131.5 Ų | 131.5 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | | | trans | -37.1 | 145.6 | 164.3 | -69.8 | -91.1 | 0 | 0 | 0 | 112.9 | | |
| 588 | P | 28.9 | Very low | 29.2 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | | | | -154 | 164.8 | 66.5 | 40.9 | -20.1 | 0 | 0 | 0 | 120.4 | | |
| 589 | T | 25.6 | Very low | 29.6 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 66% | 0.663 | 77% | 0.771 | S | S | * | * | | | trans | 4.8 | 142.8 | 141.4 | -26.1 | 0 | 0 | 0 | 0 | 122 | V591 | T589-V591 HydrophobicContact CG2-CG2 3.44Å; T589-V591 VanDerWaalsContact CG2-CG2 3.44Å |
| 590 | T | 27.2 | Very low | 29.6 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | | | trans | -121.3 | 144.6 | 141.4 | 42.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 591 | V | 29.4 | Very low | 29.6 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | | | trans | -126.8 | 151.8 | -173.7 | -170 | 0 | 0 | 0 | 0 | 109.6 | T589 T593 | T589-V591 HydrophobicContact CG2-CG2 3.44Å; T589-V591 VanDerWaalsContact CG2-CG2 3.44Å; V591-T593 HydrophobicContact CG1-CG2 4.09Å |
| 592 | G | 29.8 | Very low | 29.3 | Very low | 65 Ų | 65 | 136.5 Ų | 136.5 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | | | trans | -174.8 | 58.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 593 | T | 30.3 | Very low | 29.3 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 69% | 0.693 | 75% | 0.754 | S | S | * | * | | | | 56.5 | 106.4 | 103.2 | 62.6 | 0 | 0 | 0 | 0 | 115.1 | V591 | V591-T593 HydrophobicContact CG1-CG2 4.09Š|
| 594 | N | 30.2 | Very low | 29.2 | Very low | 138 Ų | 138 | 134.7 Ų | 134.7 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | | | | -167 | 139.7 | 116.1 | -100 | -10.7 | 0 | 0 | 0 | 114.3 | | |
| 595 | H | 32.1 | Very low | 29.1 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | | | trans | 44.1 | 134.1 | 157.2 | -57.8 | -60.2 | 0 | 0 | 0 | 123.2 | | |
| 596 | N | 31.1 | Very low | 29.2 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | | | trans | 51.4 | 121.4 | 152.2 | -63.6 | -2.5 | 0 | 0 | 0 | 118.3 | | |
| 597 | C | 25.5 | Very low | 29.4 | Very low | 113 Ų | 113 | 138 Ų | 138 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | | | | 62.4 | 142.9 | 59.5 | -58.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 598 | E | 29.3 | Very low | 29.4 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 67% | 0.673 | 74% | 0.738 | S | S | * | * | | | trans | 77.7 | 110.2 | 172.9 | -58 | -108.7 | 64.1 | 0 | 0 | 116.6 | | |
| 599 | R | 36.9 | Very low | 29.5 | Very low | 177 Ų | 177 | 134 Ų | 134 | 67% | 0.668 | 74% | 0.737 | S | S | * | * | | | | 66.7 | 82.6 | 117.8 | -156.3 | -176.8 | -57.1 | -140.9 | 8.4 | 115.7 | H601 | R599-H601 VanDerWaalsContact C-N 3.29Å; R599-H601 HydrophobicContact CG-CB 4.31Å; R599-H601 PolarHBondContact O-N 3.2Å |
| 600 | I | 28.7 | Very low | 29.9 | Very low | 184 Ų | 184 | 135.7 Ų | 135.7 | 94% | 0.944 | 74% | 0.741 | S | S | * | * | | | trans | -63.5 | 90.6 | 165 | -54.1 | 173.5 | 0 | 0 | 0 | 108.6 | | |
| 601 | H | 28.3 | Very low | 29.9 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 62% | 0.616 | 73% | 0.73 | S | S | * | * | | | trans | -136.4 | 149.1 | 176.6 | -109.3 | -97.3 | 0 | 0 | 0 | 108.8 | R599 | R599-H601 VanDerWaalsContact C-N 3.29Å; R599-H601 HydrophobicContact CG-CB 4.31Å; R599-H601 PolarHBondContact O-N 3.2Å |
| 602 | D | 27.6 | Very low | 29.8 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 65% | 0.652 | 73% | 0.73 | S | S | * | * | | | trans | 34.7 | 126.3 | 146.4 | -46.8 | -24.6 | 0 | 0 | 0 | 119.4 | | |
| 603 | T | 29.7 | Very low | 30 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | | | | -133.3 | 98.7 | 117.3 | -10.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 604 | V | 29.4 | Very low | 29.8 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 65% | 0.648 | 74% | 0.741 | S | S | * | * | | | | 55.4 | 91.7 | 126.8 | 178.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 605 | S | 27.6 | Very low | 29.8 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | | | | 58.4 | 114.9 | 82.1 | -56.9 | 0 | 0 | 0 | 0 | 114 | | |
| 606 | K | 31.7 | Very low | 29.5 | Very low | 180 Ų | 180 | 139.9 Ų | 139.9 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | | | trans | -160.7 | 119.7 | 142.7 | -107.8 | 159.8 | -171.8 | 175.8 | 0 | 111.2 | | |
| 607 | Y | 32.8 | Very low | 29.3 | Very low | 207 Ų | 207 | 137.6 Ų | 137.6 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | | | trans | 61 | 103.8 | 164 | -53.8 | -64.8 | 0 | 0 | 0 | 119.7 | | |
| 608 | S | 24.5 | Very low | 29.7 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | | | trans | -55.6 | 150.6 | 134.6 | -41.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 609 | P | 32 | Very low | 29.9 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | | | | -115.2 | 142.9 | 93.9 | -9.7 | 29.3 | 0 | 0 | 0 | 113.1 | | |
| 610 | L | 33.6 | Very low | 29.4 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | | | | 61.1 | 93.9 | 92 | -57.3 | 177.5 | 0 | 0 | 0 | 112.6 | | |
| 611 | T | 27.8 | Very low | 29.4 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 66% | 0.656 | 72% | 0.717 | S | S | * | * | | | | 76.8 | 137.2 | 74.9 | 61.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 612 | N | 27.2 | Very low | 29.6 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 77% | 0.765 | 72% | 0.723 | S | S | * | * | | | trans | 79.3 | 153.9 | 167.3 | -54.1 | -27.6 | 0 | 0 | 0 | 117.1 | | |
| 613 | H | 32.8 | Very low | 29.8 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 78% | 0.778 | 73% | 0.728 | S | S | * | * | | | trans | 86.6 | 88.6 | -163.2 | -54.5 | -62.9 | 0 | 0 | 0 | 112.4 | V615 | H613-V615 HydrophobicContact CB-CG2 4.07Š|
| 614 | N | 27.1 | Very low | 29.9 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 81% | 0.807 | 72% | 0.723 | S | S | * | * | | | cis | 42.6 | 78.2 | 48.5 | -168.8 | 17.5 | 0 | 0 | 0 | 112.1 | | |
| 615 | V | 30.5 | Very low | 30 | Very low | 117 Ų | 117 | 135 Ų | 135 | 71% | 0.709 | 73% | 0.727 | S | S | * | * | | | trans | -131.1 | 94.3 | 172.9 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | H613 | H613-V615 HydrophobicContact CB-CG2 4.07Š|
| 616 | N | 26.3 | Very low | 30.2 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | | | trans | -60.2 | 156.9 | 147.8 | -86.9 | -33.8 | 0 | 0 | 0 | 108.9 | | |
| 617 | S | 26.7 | Very low | 30.3 | Very low | 90 Ų | 90 | 132.7 Ų | 132.7 | 63% | 0.629 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 81.3 | 119.3 | 168.8 | -45 | 0 | 0 | 0 | 0 | 117.4 | | |
| 618 | I | 33.1 | Very low | 30.4 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 56% | 0.559 | 72% | 0.722 | S | S | * | * | | | | 22.5 | 122.7 | 120.3 | -43 | 165.1 | 0 | 0 | 0 | 116.3 | F620 | I618-F620 HydrophobicContact CB-CD2 4.23Å; I618-F620 HydrophobicContact CB-CE2 4.34Å; I618-F620 HydrophobicContact CG2-CD2 3.47Å; I618-F620 VanDerWaalsContact CG2-CD2 3.47Å; I618-F620 HydrophobicContact CG2-CE2 3.72Å; I618-F620 HydrophobicContact CG2-CG 4.13Å |
| 619 | P | 33 | Very low | 30.8 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 76% | 0.76 | 73% | 0.727 | S | S | * | * | | | | -113.8 | 139.8 | 125.1 | 37 | -33.4 | 0 | 0 | 0 | 109.7 | | |
| 620 | F | 27.6 | Very low | 31 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 73% | 0.732 | 73% | 0.727 | S | S | * | * | | | cis | 63.1 | 143.2 | 43.6 | -67.2 | -66.7 | 0 | 0 | 0 | 111.5 | I618 | I618-F620 HydrophobicContact CB-CD2 4.23Å; I618-F620 HydrophobicContact CB-CE2 4.34Å; I618-F620 HydrophobicContact CG2-CD2 3.47Å; I618-F620 VanDerWaalsContact CG2-CD2 3.47Å; I618-F620 HydrophobicContact CG2-CE2 3.72Å; I618-F620 HydrophobicContact CG2-CG 4.13Å |
| 621 | S | 28.8 | Very low | 30.9 | Very low | 83 Ų | 83 | 127 Ų | 127 | 58% | 0.58 | 72% | 0.72 | S | S | * | * | | | cis | -168 | 165.4 | 13.3 | -136.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 622 | L | 31.9 | Very low | 31.2 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | | | trans | 71.1 | 146 | 154.1 | -55.9 | 157.8 | 0 | 0 | 0 | 116.5 | | |
| 623 | R | 30.9 | Very low | 31.4 | Very low | 204 Ų | 204 | 127.7 Ų | 127.7 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | | | cis | -156 | 160.9 | 4 | -136.1 | 172.7 | -176.3 | 170.3 | -0.7 | 114.4 | | |
| 624 | N | 32.3 | Very low | 31.2 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | | | trans | 77.6 | 139.5 | 162.7 | -50.9 | -16 | 0 | 0 | 0 | 117.7 | | |
| 625 | S | 31.6 | Very low | 31.3 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | | | cis | -170 | 142.5 | -21.8 | -95.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 626 | A | 32.9 | Very low | 31.4 | Very low | 87 Ų | 87 | 129.7 Ų | 129.7 | 72% | 0.719 | 72% | 0.724 | S | S | * | * | | | trans | 61.4 | 152.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 627 | D | 33 | Very low | 32 | Very low | 150 Ų | 150 | 128.6 Ų | 128.6 | 80% | 0.802 | 73% | 0.725 | S | S | * | * | | | cis | -161.6 | 162.3 | -27.6 | -104 | -43.6 | 0 | 0 | 0 | 112.3 | | |
| 628 | S | 34.3 | Very low | 32.1 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | | | trans | 41.9 | 107 | 157.2 | 61.9 | 0 | 0 | 0 | 0 | 124 | | |
| 629 | L | 33.8 | Very low | 31.9 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 86% | 0.859 | 75% | 0.745 | S | S | * | * | | | | 25.8 | 161.2 | 107.4 | -58.9 | 178.3 | 0 | 0 | 0 | 121.8 | | |
| 630 | P | 35.6 | Very low | 31.8 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | | | cis | -150 | 175.2 | -37.6 | 43.6 | -25.6 | 0 | 0 | 0 | 117.9 | | |
| 631 | A | 31.8 | Very low | 31.8 | Very low | 75 Ų | 75 | 137 Ų | 137 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | | | trans | 82.1 | 148.2 | 138.4 | 0 | 0 | 0 | 0 | 0 | 125.6 | | |
| 632 | H | 34.6 | Very low | 31.9 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | | | trans | 77.9 | 151.7 | 158.6 | -57.4 | -52.6 | 0 | 0 | 0 | 120.7 | | |
| 633 | S | 30.7 | Very low | 32.1 | Very low | 83 Ų | 83 | 139.5 Ų | 139.5 | 58% | 0.58 | 76% | 0.762 | S | S | * | * | | | cis | -173.6 | 143.5 | -29.6 | -92.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 634 | Y | 28.6 | Very low | 32.2 | Very low | 208 Ų | 208 | 135.9 Ų | 135.9 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | | | trans | 65.7 | 133.8 | 143.2 | -77.1 | -54.3 | 0 | 0 | 0 | 125.8 | | |
| 635 | L | 29.9 | Very low | 31.9 | Very low | 156 Ų | 156 | 134 Ų | 134 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | | | trans | 86.3 | 154.3 | 140.8 | -67.8 | 166.9 | 0 | 0 | 0 | 121.2 | | |
| 636 | P | 32.4 | Very low | 31.8 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | -136.3 | -141.3 | -143.1 | 48.3 | -26.1 | 0 | 0 | 0 | 113.4 | | |
| 637 | P | 39.2 | Very low | 31.6 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | trans | -116.6 | 151.1 | -132.9 | 32.4 | -10.7 | 0 | 0 | 0 | 117.6 | | |
| 638 | R | 29.2 | Very low | 31.4 | Very low | 254 Ų | 254 | 132.4 Ų | 132.4 | 96% | 0.958 | 77% | 0.765 | S | S | * | * | | | trans | -149.9 | 152.1 | 157.8 | -66.9 | -176.4 | 174.7 | 161.6 | -2.7 | 107.2 | | |
| 639 | G | 27.9 | Very low | 31.2 | Very low | 63 Ų | 63 | 134.8 Ų | 134.8 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | | | cis | 141.7 | 144.9 | 0.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 640 | L | 30.1 | Very low | 31 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | | | trans | 71.8 | 155.8 | -174.3 | -44.5 | 170.8 | 0 | 0 | 0 | 113.1 | | |
| 641 | Q | 29.1 | Very low | 30.5 | Very low | 175 Ų | 175 | 139.4 Ų | 139.4 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | cis | -150.4 | 153.5 | 6.8 | -150.7 | 164 | -37.9 | 0 | 0 | 112.8 | | |
| 642 | E | 30.9 | Very low | 31 | Very low | 172 Ų | 172 | 141.2 Ų | 141.2 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -69.8 | 174.8 | 160.8 | -103.7 | -176.3 | -176.1 | 0 | 0 | 111.7 | | |
| 643 | P | 36.5 | Very low | 30.6 | Very low | 108 Ų | 108 | 140 Ų | 140 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | cis | -124.1 | -154.4 | 24 | 26.8 | 0.4 | 0 | 0 | 0 | 112 | | |
| 644 | T | 31 | Very low | 30.4 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | cis | -156.8 | 168.6 | 19.7 | -36.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 645 | S | 27.8 | Very low | 30.3 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | | | trans | -93.8 | 165.1 | 179.9 | 58 | 0 | 0 | 0 | 0 | 114.9 | | |
| 646 | C | 29.4 | Very low | 30.2 | Very low | 129 Ų | 129 | 134 Ų | 134 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | | | | 179.6 | 121 | 117.1 | -101 | 0 | 0 | 0 | 0 | 115.8 | | |
| 647 | G | 28.6 | Very low | 30.1 | Very low | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | | | | 95.7 | 97.5 | 120.6 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 648 | S | 29.1 | Very low | 29.5 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | | 88.6 | 114.7 | 113.2 | -64.7 | 0 | 0 | 0 | 0 | 124.7 | | |
| 649 | Q | 29.1 | Very low | 29.5 | Very low | 152 Ų | 152 | 129.3 Ų | 129.3 | 71% | 0.71 | 77% | 0.771 | S | S | * | * | | | trans | 83.9 | 110.9 | 136.3 | -62.6 | -168.2 | 50.1 | 0 | 0 | 120.9 | | |
| 650 | I | 29.1 | Very low | 29.5 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | | | | 69.6 | 126.4 | 78.1 | -66.5 | 169.7 | 0 | 0 | 0 | 111.9 | | |
| 651 | R | 26.3 | Very low | 29.4 | Very low | 225 Ų | 225 | 133.5 Ų | 133.5 | 85% | 0.849 | 78% | 0.783 | S | S | * | * | | | cis | -155.2 | 153.8 | 28.4 | -151.1 | 166 | -153 | -143.7 | 3.7 | 113.5 | | |
| 652 | P | 40.7 | Very low | 29.2 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | | | trans | -101.1 | 175.3 | 171.9 | 39.9 | -36.6 | 0 | 0 | 0 | 113.9 | | |
| 653 | L | 26.4 | Very low | 29.2 | Very low | 155 Ų | 155 | 127.8 Ų | 127.8 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | trans | -166.7 | 129.4 | 148.8 | -108.4 | 172.4 | 0 | 0 | 0 | 112.7 | | |
| 654 | S | 27.5 | Very low | 28.7 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | | | trans | 56 | 146.4 | 144.5 | -70.4 | 0 | 0 | 0 | 0 | 122.6 | | |
| 655 | S | 26.8 | Very low | 28.5 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | | | cis | -171.1 | 165.8 | -5.9 | 45.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 656 | S | 27 | Very low | 28.5 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | | | trans | 77.9 | 89.3 | 151.1 | -57.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 657 | S | 30.1 | Very low | 28.2 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | | -142.2 | 133 | 119.1 | -173.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 658 | A | 26.1 | Very low | 28 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | trans | -105.9 | 88.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 659 | H | 30.2 | Very low | 27.8 | Very low | 172 Ų | 172 | 133.3 Ų | 133.3 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | | | trans | -87.9 | 127.9 | 167.7 | -104.6 | -90.9 | 0 | 0 | 0 | 110.8 | V661 | H659-V661 PolarHBondContact O-N 3.32Š|
| 660 | L | 28.4 | Very low | 27.5 | Very low | 179 Ų | 179 | 132.7 Ų | 132.7 | 94% | 0.937 | 80% | 0.804 | S | S | * | * | | | trans | -69.9 | 113.2 | 177.4 | -72.1 | 159.1 | 0 | 0 | 0 | 110.1 | | |
| 661 | V | 27.7 | Very low | 27.4 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 136 | 171.3 | 177.9 | 0 | 0 | 0 | 0 | 109 | H659 | H659-V661 PolarHBondContact O-N 3.32Š|
| 662 | S | 25.6 | Very low | 27.6 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 144.3 | -163.9 | -47.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 663 | P | 29.3 | Very low | 27.4 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 142.8 | 163.3 | 30.1 | -33.7 | 0 | 0 | 0 | 110.6 | | |
| 664 | S | 26.5 | Very low | 28.4 | Very low | 118 Ų | 118 | 118.1 Ų | 118.1 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 144.3 | -174.7 | 42.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 665 | V | 27.5 | Very low | 29.1 | Very low | 135 Ų | 135 | 118.2 Ų | 118.2 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 128.8 | -177.2 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 666 | P | 26.4 | Very low | 30.5 | Very low | 117 Ų | 117 | 117.7 Ų | 117.7 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 139.4 | 167.6 | 31.7 | -33.3 | 0 | 0 | 0 | 111 | | |
| 667 | S | 24.4 | Very low | 32.6 | Very low | 109 Ų | 109 | 114.8 Ų | 114.8 | 76% | 0.762 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 123.9 | -170.4 | 31.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 668 | S | 23.8 | Very low | 34.6 | Very low | 115 Ų | 115 | 110 Ų | 110 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | | | trans | 43.9 | 84.5 | 147.6 | 61.8 | 0 | 0 | 0 | 0 | 118.4 | | |
| 669 | L | 24.9 | Very low | 36.8 | Very low | 163 Ų | 163 | 109.2 Ų | 109.2 | 85% | 0.853 | 65% | 0.651 | S | S | * | * | | | trans | -131.9 | 134.7 | 155.3 | -92.6 | 165.1 | 0 | 0 | 0 | 109.8 | S671 | L669-S671 PolarHBondContact O-N 3.12Š|
| 670 | C | 23.6 | Very low | 38.9 | Very low | 138 Ų | 138 | 103.6 Ų | 103.6 | 93% | 0.932 | 63% | 0.626 | S | S | * | * | | | trans | -64.4 | 128.5 | -166 | -58.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 671 | S | 25.3 | Very low | 41.2 | Very low | 97 Ų | 97 | 95.3 Ų | 95.3 | 68% | 0.678 | 58% | 0.583 | S | S | * | * | | | trans | -158.9 | 148.2 | 170.3 | 45.5 | 0 | 0 | 0 | 0 | 113.9 | L669 | L669-S671 PolarHBondContact O-N 3.12Š|
| 672 | N | 31.2 | Very low | 43.5 | Very low | 115 Ų | 115 | 92.2 Ų | 92.2 | 62% | 0.615 | 56% | 0.558 | S | S | * | * | | | trans | 76.3 | 24.8 | 153.5 | -57.7 | -11.9 | 0 | 0 | 0 | 122 | F674 F675 | N672-F674 VanDerWaalsContact C-N 3.29Å; N672-F675 HydrophobicContact CB-CD2 4.02Å; N672-F675 HydrophobicContact CB-CE2 3.98Å |
| 673 | S | 36.4 | Very low | 45.7 | Very low | 67 Ų | 67 | 95 Ų | 95 | 47% | 0.469 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.9 | -16.4 | 162.9 | 56.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 674 | F | 47.1 | Very low | 47.7 | Very low | 55 Ų | 55 | 95 Ų | 95 | 24% | 0.241 | 55% | 0.552 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -85.9 | -2.9 | -169.5 | -78.4 | -71.9 | 0 | 0 | 0 | 116.5 | N672 P676 H677 Q678 L696 M702 I731 | N672-F674 VanDerWaalsContact C-N 3.29Å; F674-P676 VanDerWaalsContact C-CD 3.49Å; F674-H677 PolarHBondContact O-N 3.48Å; F674-H677 VanDerWaalsContact O-N 3.1Å; F674-Q678 WeakPolarHBondContact O-CG 3.4Å; F674-Q678 PolarHBondContact O-N 2.91Å; F674-L696 HydrophobicContact CB-CD1 4.28Å; F674-L696 HydrophobicContact CD1-CD1 4.26Å; F674-L696 HydrophobicContact CD1-CD2 4.17Å; F674-L696 HydrophobicContact CE1-CD2 4.45Å; F674-M702 HydrophobicContact CD1-SD 4.44Å; F674-M702 HydrophobicContact CE1-CE 3.67Å; F674-M702 HydrophobicContact CE1-SD 3.59Å; F674-M702 VanDerWaalsContact CE1-SD 3.59Å; F674-M702 HydrophobicContact CZ-CE 4.07Å; F674-M702 HydrophobicContact CZ-SD 4.14Å; F674-I731 HydrophobicContact CZ-CD1 3.95Å |
| 675 | F | 43.7 | Very low | 50 | Low | 104 Ų | 104 | 93.4 Ų | 93.4 | 46% | 0.456 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -53.9 | -42.2 | -176.9 | -94.4 | -87.2 | 0 | 0 | 0 | 115.4 | N672 H677 Q678 N679 | N672-F675 HydrophobicContact CB-CD2 4.02Å; N672-F675 HydrophobicContact CB-CE2 3.98Å; F675-H677 VanDerWaalsContact C-N 3.35Å; F675-H677 PolarHBondContact O-N 2.92Å; F675-Q678 PolarHBondContact O-N 3.21Å; F675-N679 PolarHBondContact O-N 3.17Å; F675-N679 VanDerWaalsContact O-N 3.1Å |
| 676 | P | 55.8 | Low | 52.2 | Low | 88 Ų | 88 | 90.4 Ų | 90.4 | 57% | 0.571 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.1 | -43.6 | 176 | -23 | 34.4 | 0 | 0 | 0 | 112 | F674 N679 L680 | F674-P676 VanDerWaalsContact C-CD 3.49Å; P676-N679 PolarHBondContact O-N 3.29Å; P676-L680 WeakPolarHBondContact O-CB 3.41Å; P676-L680 PolarHBondContact O-N 2.92Å |
| 677 | H | 71.3 | Confident | 54.9 | Low | 59 Ų | 59 | 86.7 Ų | 86.7 | 27% | 0.273 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.1 | -36.3 | 180 | -57.7 | -54.9 | 0 | 0 | 0 | 112.2 | F674 F675 L680 L681 L696 Y705 | F674-H677 PolarHBondContact O-N 3.48Å; F674-H677 VanDerWaalsContact O-N 3.1Å; F675-H677 VanDerWaalsContact C-N 3.35Å; F675-H677 PolarHBondContact O-N 2.92Å; H677-L680 PolarHBondContact O-N 2.95Å; H677-L681 WeakPolarHBondContact O-CB 3.41Å; H677-L681 WeakPolarHBondContact O-CG 3.46Å; H677-L681 PolarHBondContact O-N 3.06Å; H677-L696 HydrophobicContact CB-CD1 4.23Å; H677-L696 HydrophobicContact CB-CD2 4.26Å; H677-Y705 HydrophobicContact CB-CE1 3.88Å; H677-Y705 AromaticContact CG-CE1 3.65Å; H677-Y705 AromaticContact ND1-CE1 3.4Å; H677-Y705 WeakPolarHBondContact ND1-CE1 3.22Å; H677-Y705 AromaticContact ND1-CZ 3.56Å; H677-Y705 PolarHBondContact ND1-OH 2.95Å |
| 678 | Q | 72.2 | Confident | 57.5 | Low | 13 Ų | 13 | 85.8 Ų | 85.8 | 6% | 0.061 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 171.6 | -71.2 | 172.9 | 41.5 | 0 | 0 | 111.5 | F674 F675 L681 K682 N693 L696 | F674-Q678 WeakPolarHBondContact O-CG 3.4Å; F674-Q678 PolarHBondContact O-N 2.91Å; F675-Q678 PolarHBondContact O-N 3.21Å; Q678-L681 PolarHBondContact O-N 3.15Å; Q678-K682 WeakPolarHBondContact O-CG 3.43Å; Q678-K682 PolarHBondContact O-N 2.81Å; Q678-N693 VanDerWaalsContact CD-OD1 3.27Å; Q678-N693 PolarHBondContact NE2-OD1 3.05Å; Q678-N693 PolarHBondContact OE1-ND2 2.9Å; Q678-L696 HydrophobicContact CB-CD1 4.4Å; Q678-L696 HydrophobicContact CG-CD1 3.52Å |
| 679 | N | 71.2 | Confident | 60.1 | Low | 85 Ų | 85 | 82.7 Ų | 82.7 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.4 | -37.3 | 179 | -73.1 | -15.4 | 0 | 0 | 0 | 112.3 | F675 P676 K682 Q683 | F675-N679 PolarHBondContact O-N 3.17Å; F675-N679 VanDerWaalsContact O-N 3.1Å; P676-N679 PolarHBondContact O-N 3.29Å; N679-K682 WeakPolarHBondContact O-CB 3.45Å; N679-K682 PolarHBondContact O-N 2.9Å; N679-Q683 WeakPolarHBondContact O-CB 3.3Å; N679-Q683 PolarHBondContact O-N 3.02Å |
| 680 | L | 75.2 | Confident | 62.6 | Low | 53 Ų | 53 | 81.5 Ų | 81.5 | 28% | 0.277 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 173.9 | -164.3 | 76 | 0 | 0 | 0 | 111.7 | P676 H677 Q683 I684 Y705 M709 | P676-L680 WeakPolarHBondContact O-CB 3.41Å; P676-L680 PolarHBondContact O-N 2.92Å; H677-L680 PolarHBondContact O-N 2.95Å; L680-Q683 PolarHBondContact O-N 3.31Å; L680-I684 HydrophobicContact CD1-CD1 4.03Å; L680-I684 HydrophobicContact CD1-CG1 4.5Å; L680-I684 HydrophobicContact CD2-CD1 4.05Å; L680-I684 HydrophobicContact CG-CD1 3.68Å; L680-I684 HydrophobicContact CG-CG1 4.3Å; L680-I684 WeakPolarHBondContact O-CB 3.25Å; L680-I684 WeakPolarHBondContact O-CG1 3.37Å; L680-I684 PolarHBondContact O-N 3.35Å; L680-Y705 WeakPolarHBondContact CD2-OH 3.39Å; L680-M709 HydrophobicContact CD2-CE 4.26Å; L680-M709 HydrophobicContact CD2-SD 3.99Å |
| 681 | L | 75.9 | Confident | 65.3 | Low | 6 Ų | 6 | 77.2 Ų | 77.2 | 3% | 0.031 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -68.9 | -35.8 | 177.4 | -69.1 | 173.3 | 0 | 0 | 0 | 112.7 | H677 Q678 M685 I687 A692 L696 F701 Y705 | H677-L681 WeakPolarHBondContact O-CB 3.41Å; H677-L681 WeakPolarHBondContact O-CG 3.46Å; H677-L681 PolarHBondContact O-N 3.06Å; Q678-L681 PolarHBondContact O-N 3.15Å; L681-M685 HydrophobicContact CB-CE 4.37Å; L681-M685 HydrophobicContact CD2-CE 3.83Å; L681-M685 HydrophobicContact CD2-SD 4.09Å; L681-M685 WeakPolarHBondContact O-CB 3.27Å; L681-M685 PolarHBondContact O-N 3.43Å; L681-I687 HydrophobicContact CB-CD1 4.26Å; L681-A692 HydrophobicContact CB-CB 4.43Å; L681-L696 HydrophobicContact CD1-CD1 4.03Å; L681-L696 HydrophobicContact CD1-CD2 3.79Å; L681-L696 HydrophobicContact CD1-CG 3.77Å; L681-F701 HydrophobicContact CD1-CE1 3.72Å; L681-F701 HydrophobicContact CD1-CZ 3.97Å; L681-F701 HydrophobicContact CD2-CE1 4.29Å; L681-F701 HydrophobicContact CD2-CZ 3.81Å; L681-Y705 HydrophobicContact CD2-CD2 3.94Å; L681-Y705 HydrophobicContact CD2-CE2 3.68Å; L681-Y705 HydrophobicContact CG-CE2 4.13Å |
| 682 | K | 75.6 | Confident | 67.9 | Low | 72 Ų | 72 | 72.6 Ų | 72.6 | 31% | 0.313 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.5 | -49.4 | 167.7 | -73.8 | 174 | 171.4 | -175.8 | 0 | 111.3 | Q678 N679 G686 I687 S689 | Q678-K682 WeakPolarHBondContact O-CG 3.43Å; Q678-K682 PolarHBondContact O-N 2.81Å; N679-K682 WeakPolarHBondContact O-CB 3.45Å; N679-K682 PolarHBondContact O-N 2.9Å; K682-G686 VanDerWaalsContact O-CA 3.31Å; K682-G686 WeakPolarHBondContact O-CA 3.41Å; K682-G686 PolarHBondContact O-N 3.26Å; K682-I687 WeakPolarHBondContact CG-O 3.49Å; K682-S689 VanDerWaalsContact CE-CA 3.47Å; K682-S689 WeakPolarHBondContact CE-OG 3.26Å; K682-S689 PolarHBondContact NZ-OG 3.41Å |
| 683 | Q | 72.1 | Confident | 70.1 | Confident | 164 Ų | 164 | 70.1 Ų | 70.1 | 77% | 0.766 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -70 | -40.1 | -174.7 | -171.3 | 176.2 | 6.7 | 0 | 0 | 113 | N679 L680 | N679-Q683 WeakPolarHBondContact O-CB 3.3Å; N679-Q683 PolarHBondContact O-N 3.02Å; L680-Q683 PolarHBondContact O-N 3.31Å |
| 684 | I | 71.2 | Confident | 72.3 | Confident | 121 Ų | 121 | 72.5 Ų | 72.5 | 62% | 0.621 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -82.2 | -37.7 | -178.1 | -65.8 | 179.7 | 0 | 0 | 0 | 112.2 | L680 | L680-I684 HydrophobicContact CD1-CD1 4.03Å; L680-I684 HydrophobicContact CD1-CG1 4.5Å; L680-I684 HydrophobicContact CD2-CD1 4.05Å; L680-I684 HydrophobicContact CG-CD1 3.68Å; L680-I684 HydrophobicContact CG-CG1 4.3Å; L680-I684 WeakPolarHBondContact O-CB 3.25Å; L680-I684 WeakPolarHBondContact O-CG1 3.37Å; L680-I684 PolarHBondContact O-N 3.35Å |
| 685 | M | 74.1 | Confident | 74 | Confident | 85 Ų | 85 | 72.3 Ų | 72.3 | 42% | 0.419 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -113.2 | -1.7 | -169.9 | -48.9 | -166.2 | -44.4 | 0 | 0 | 114.6 | L681 I687 L695 F701 | L681-M685 HydrophobicContact CB-CE 4.37Å; L681-M685 HydrophobicContact CD2-CE 3.83Å; L681-M685 HydrophobicContact CD2-SD 4.09Å; L681-M685 WeakPolarHBondContact O-CB 3.27Å; L681-M685 PolarHBondContact O-N 3.43Å; M685-I687 HydrophobicContact CB-CG1 4.43Å; M685-I687 HydrophobicContact CB-CG2 4.26Å; M685-I687 HydrophobicContact CE-CD1 3.56Å; M685-I687 HydrophobicContact CE-CG1 4.27Å; M685-I687 PolarHBondContact O-N 2.73Å; M685-I687 VanDerWaalsContact O-N 3.17Å; M685-L695 HydrophobicContact CE-CD1 3.76Å; M685-F701 HydrophobicContact CE-CE2 4.44Å; M685-F701 HydrophobicContact CE-CZ 4.23Å |
| 686 | G | 75.6 | Confident | 75.9 | Confident | 73 Ų | 73 | 68 Ų | 68 | 75% | 0.753 | 37% | 0.368 | S | S | * | . | | | trans | 66.3 | 13.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | K682 | K682-G686 VanDerWaalsContact O-CA 3.31Å; K682-G686 WeakPolarHBondContact O-CA 3.41Å; K682-G686 PolarHBondContact O-N 3.26Å |
| 687 | I | 81.4 | Confident | 77.1 | Confident | 39 Ų | 39 | 68.2 Ų | 68.2 | 20% | 0.2 | 37% | 0.372 | C | S | . | . | | | trans | -83.9 | 157.4 | -178.7 | 62 | 170.1 | 0 | 0 | 0 | 112.1 | L681 K682 M685 T691 A692 L695 | L681-I687 HydrophobicContact CB-CD1 4.26Å; K682-I687 WeakPolarHBondContact CG-O 3.49Å; M685-I687 HydrophobicContact CB-CG1 4.43Å; M685-I687 HydrophobicContact CB-CG2 4.26Å; M685-I687 HydrophobicContact CE-CD1 3.56Å; M685-I687 HydrophobicContact CE-CG1 4.27Å; M685-I687 PolarHBondContact O-N 2.73Å; M685-I687 VanDerWaalsContact O-N 3.17Å; I687-T691 HydrophobicContact CB-CG2 4.05Å; I687-T691 HydrophobicContact CD1-CG2 4.11Å; I687-T691 HydrophobicContact CG2-CG2 4.16Å; I687-A692 HydrophobicContact CD1-CB 3.79Å; I687-A692 HydrophobicContact CG1-CB 4.28Å; I687-L695 HydrophobicContact CD1-CD1 3.67Å |
| 688 | D | 80.7 | Confident | 77.6 | Confident | 89 Ų | 89 | 67.4 Ų | 67.4 | 48% | 0.476 | 37% | 0.37 | S | S | . | . | | | trans | -76.9 | 172 | 174.5 | 65 | 59.7 | 0 | 0 | 0 | 113.4 | E690 T691 A692 | D688-E690 VanDerWaalsContact C-N 3.29Å; D688-E690 PolarHBondContact O-N 3.44Å; D688-E690 WeakPolarHBondContact OD1-CA 3.37Å; D688-E690 WeakPolarHBondContact OD1-CB 3.49Å; D688-E690 PolarHBondContact OD1-N 3.43Å; D688-T691 WeakPolarHBondContact OD1-CB 3.48Å; D688-T691 PolarHBondContact OD1-N 2.81Å; D688-T691 PolarHBondContact OD1-OG1 2.96Å; D688-T691 VanDerWaalsContact OD1-OG1 3.05Å; D688-T691 PolarHBondContact OD2-OG1 3.43Å; D688-A692 WeakPolarHBondContact O-CB 3.45Å; D688-A692 PolarHBondContact O-N 3Å |
| 689 | S | 76.7 | Confident | 77.7 | Confident | 51 Ų | 51 | 71.5 Ų | 71.5 | 36% | 0.357 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.4 | -31.8 | -179.9 | -22.4 | 0 | 0 | 0 | 0 | 113.5 | K682 N693 | K682-S689 VanDerWaalsContact CE-CA 3.47Å; K682-S689 WeakPolarHBondContact CE-OG 3.26Å; K682-S689 PolarHBondContact NZ-OG 3.41Å; S689-N693 WeakPolarHBondContact O-CB 3.39Å; S689-N693 PolarHBondContact O-N 3.31Å; S689-N693 PolarHBondContact O-ND2 3.33Å |
| 690 | E | 77.8 | Confident | 77.9 | Confident | 137 Ų | 137 | 75.7 Ų | 75.7 | 64% | 0.64 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -76.7 | -44.4 | -175.4 | -162.1 | -177.3 | 142.1 | 0 | 0 | 109.6 | D688 N693 Q694 | D688-E690 VanDerWaalsContact C-N 3.29Å; D688-E690 PolarHBondContact O-N 3.44Å; D688-E690 WeakPolarHBondContact OD1-CA 3.37Å; D688-E690 WeakPolarHBondContact OD1-CB 3.49Å; D688-E690 PolarHBondContact OD1-N 3.43Å; E690-N693 CarbonylContact O-C 3.6Å; E690-N693 PolarHBondContact O-N 3.01Å; E690-Q694 WeakPolarHBondContact O-CG 3.11Å; E690-Q694 PolarHBondContact O-N 3.4Å; E690-Q694 PolarHBondContact OE1-NE2 3.17Å |
| 691 | T | 79.8 | Confident | 78.4 | Confident | 49 Ų | 49 | 75 Ų | 75 | 30% | 0.301 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 171.4 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | I687 D688 N693 Q694 L695 | I687-T691 HydrophobicContact CB-CG2 4.05Å; I687-T691 HydrophobicContact CD1-CG2 4.11Å; I687-T691 HydrophobicContact CG2-CG2 4.16Å; D688-T691 WeakPolarHBondContact OD1-CB 3.48Å; D688-T691 PolarHBondContact OD1-N 2.81Å; D688-T691 PolarHBondContact OD1-OG1 2.96Å; D688-T691 VanDerWaalsContact OD1-OG1 3.05Å; D688-T691 PolarHBondContact OD2-OG1 3.43Å; T691-N693 VanDerWaalsContact C-N 3.33Å; T691-N693 PolarHBondContact O-N 2.76Å; T691-Q694 PolarHBondContact O-N 3.11Å; T691-L695 HydrophobicContact CG2-CD1 4.38Å; T691-L695 WeakPolarHBondContact O-CG 3.36Å; T691-L695 PolarHBondContact O-N 3.23Å |
| 692 | A | 81.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | L681 I687 D688 L696 | L681-A692 HydrophobicContact CB-CB 4.43Å; I687-A692 HydrophobicContact CD1-CB 3.79Å; I687-A692 HydrophobicContact CG1-CB 4.28Å; D688-A692 WeakPolarHBondContact O-CB 3.45Å; D688-A692 PolarHBondContact O-N 3Å; A692-L696 WeakPolarHBondContact O-CB 3.48Å; A692-L696 VanDerWaalsContact O-CG 3.27Å; A692-L696 WeakPolarHBondContact O-CG 3.47Å; A692-L696 PolarHBondContact O-N 2.92Å |
| 693 | N | 77.5 | Confident | 78.2 | Confident | 62 Ų | 62 | 79.2 Ų | 79.2 | 33% | 0.332 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68.1 | -39.6 | 173.3 | -83.6 | -66.3 | 0 | 0 | 0 | 112.6 | Q678 S689 E690 T691 L696 S697 | Q678-N693 VanDerWaalsContact CD-OD1 3.27Å; Q678-N693 PolarHBondContact NE2-OD1 3.05Å; Q678-N693 PolarHBondContact OE1-ND2 2.9Å; S689-N693 WeakPolarHBondContact O-CB 3.39Å; S689-N693 PolarHBondContact O-N 3.31Å; S689-N693 PolarHBondContact O-ND2 3.33Å; E690-N693 CarbonylContact O-C 3.6Å; E690-N693 PolarHBondContact O-N 3.01Å; T691-N693 VanDerWaalsContact C-N 3.33Å; T691-N693 PolarHBondContact O-N 2.76Å; N693-L696 PolarHBondContact O-N 3.38Å; N693-S697 VanDerWaalsContact O-CB 3.28Å; N693-S697 WeakPolarHBondContact O-CB 3.45Å; N693-S697 PolarHBondContact O-N 3.35Å; N693-S697 PolarHBondContact O-OG 2.92Å |
| 694 | Q | 81.4 | Confident | 78.4 | Confident | 118 Ų | 118 | 76.5 Ų | 76.5 | 55% | 0.551 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -63.9 | -39.9 | 175.8 | -73.3 | 177.1 | 38.8 | 0 | 0 | 111.8 | E690 T691 S697 D698 | E690-Q694 WeakPolarHBondContact O-CG 3.11Å; E690-Q694 PolarHBondContact O-N 3.4Å; E690-Q694 PolarHBondContact OE1-NE2 3.17Å; T691-Q694 PolarHBondContact O-N 3.11Å; Q694-S697 WeakPolarHBondContact O-CB 3.19Å; Q694-S697 PolarHBondContact O-N 2.86Å; Q694-D698 PolarHBondContact O-N 3.34Å |
| 695 | L | 83.4 | Confident | 78.6 | Confident | 51 Ų | 51 | 71.8 Ų | 71.8 | 27% | 0.267 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.8 | -47 | 174.8 | -70.7 | 175.5 | 0 | 0 | 0 | 112 | M685 I687 T691 S697 D698 F701 | M685-L695 HydrophobicContact CE-CD1 3.76Å; I687-L695 HydrophobicContact CD1-CD1 3.67Å; T691-L695 HydrophobicContact CG2-CD1 4.38Å; T691-L695 WeakPolarHBondContact O-CG 3.36Å; T691-L695 PolarHBondContact O-N 3.23Å; L695-S697 PolarHBondContact O-N 3.18Å; L695-D698 PolarHBondContact O-N 2.88Å; L695-F701 HydrophobicContact CB-CD1 3.76Å; L695-F701 HydrophobicContact CB-CD2 4.17Å; L695-F701 HydrophobicContact CB-CE1 3.85Å; L695-F701 HydrophobicContact CB-CE2 4.24Å; L695-F701 HydrophobicContact CB-CG 3.93Å; L695-F701 HydrophobicContact CB-CZ 4.09Å; L695-F701 HydrophobicContact CD1-CE2 4.05Å; L695-F701 HydrophobicContact CD1-CZ 4.19Å; L695-F701 HydrophobicContact CD2-CD2 3.92Å; L695-F701 HydrophobicContact CD2-CE2 4.27Å; L695-F701 HydrophobicContact CD2-CG 4.26Å; L695-F701 HydrophobicContact CG-CD2 4.43Å; L695-F701 HydrophobicContact CG-CE2 4.44Å; L695-F701 WeakPolarHBondContact O-CB 3.45Å; L695-F701 VanDerWaalsContact O-CD1 3.27Å; L695-F701 WeakPolarHBondContact O-CD1 3.48Å |
| 696 | L | 83.2 | Confident | 78.4 | Confident | 13 Ų | 13 | 70.2 Ų | 70.2 | 7% | 0.068 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.3 | -14.1 | 174.1 | -66.4 | 168.2 | 0 | 0 | 0 | 113.1 | F674 H677 Q678 L681 A692 N693 F701 M702 Y705 | F674-L696 HydrophobicContact CB-CD1 4.28Å; F674-L696 HydrophobicContact CD1-CD1 4.26Å; F674-L696 HydrophobicContact CD1-CD2 4.17Å; F674-L696 HydrophobicContact CE1-CD2 4.45Å; H677-L696 HydrophobicContact CB-CD1 4.23Å; H677-L696 HydrophobicContact CB-CD2 4.26Å; Q678-L696 HydrophobicContact CB-CD1 4.4Å; Q678-L696 HydrophobicContact CG-CD1 3.52Å; L681-L696 HydrophobicContact CD1-CD1 4.03Å; L681-L696 HydrophobicContact CD1-CD2 3.79Å; L681-L696 HydrophobicContact CD1-CG 3.77Å; A692-L696 WeakPolarHBondContact O-CB 3.48Å; A692-L696 VanDerWaalsContact O-CG 3.27Å; A692-L696 WeakPolarHBondContact O-CG 3.47Å; A692-L696 PolarHBondContact O-N 2.92Å; N693-L696 PolarHBondContact O-N 3.38Å; L696-F701 HydrophobicContact CD2-CE1 4.34Å; L696-M702 HydrophobicContact CB-SD 4.35Å; L696-M702 HydrophobicContact CD2-SD 3.45Å; L696-M702 WeakPolarHBondContact CD2-SD 3.4Å; L696-M702 WeakPolarHBondContact O-CG 3.47Å; L696-Y705 HydrophobicContact CD2-CD1 4.43Å |
| 697 | S | 80.1 | Confident | 78.2 | Confident | 93 Ų | 93 | 71.8 Ų | 71.8 | 65% | 0.65 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -13.5 | 170.9 | -59.1 | 0 | 0 | 0 | 0 | 113.7 | N693 Q694 L695 P699 | N693-S697 VanDerWaalsContact O-CB 3.28Å; N693-S697 WeakPolarHBondContact O-CB 3.45Å; N693-S697 PolarHBondContact O-N 3.35Å; N693-S697 PolarHBondContact O-OG 2.92Å; Q694-S697 WeakPolarHBondContact O-CB 3.19Å; Q694-S697 PolarHBondContact O-N 2.86Å; L695-S697 PolarHBondContact O-N 3.18Å; S697-P699 WeakPolarHBondContact O-CD 3.36Å |
| 698 | D | 83.1 | Confident | 77.6 | Confident | 42 Ų | 42 | 73.1 Ų | 73.1 | 23% | 0.225 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -86.7 | 115.6 | 174.5 | -169.9 | -39.2 | 0 | 0 | 0 | 109.7 | Q694 L695 R700 F701 M702 | Q694-D698 PolarHBondContact O-N 3.34Å; L695-D698 PolarHBondContact O-N 2.88Å; D698-R700 PolarHBondContact O-N 2.68Å; D698-R700 VanDerWaalsContact OD1-CB 3.23Å; D698-R700 WeakPolarHBondContact OD1-CB 3.39Å; D698-R700 VanDerWaalsContact OD1-CG 3.31Å; D698-R700 WeakPolarHBondContact OD1-CG 3.39Å; D698-R700 IonicContact OD1-CZ 3.33Å; D698-R700 PolarHBondContact OD1-N 3.04Å; D698-R700 IonicContact OD1-NE 3.21Å; D698-R700 PolarHBondContact OD1-NE 3.3Å; D698-R700 IonicContact OD1-NH2 3.28Å; D698-R700 IonicContact OD2-CZ 2.62Å; D698-R700 IonicContact OD2-NE 3.85Å; D698-R700 PolarHBondContact OD2-NE 2.93Å; D698-R700 IonicContact OD2-NH2 2.67Å; D698-R700 PolarHBondContact OD2-NH2 2.84Å; D698-F701 HydrophobicContact CB-CB 4.08Å; D698-F701 PolarHBondContact O-N 2.83Å; D698-F701 VanDerWaalsContact O-N 3.08Å; D698-M702 PolarHBondContact O-N 2.8Å |
| 699 | P | 73.8 | Confident | 77 | Confident | 98 Ų | 98 | 72 Ų | 72 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -57.4 | -27.4 | -178.5 | -25.9 | 35.7 | 0 | 0 | 0 | 113.8 | S697 E703 | S697-P699 WeakPolarHBondContact O-CD 3.36Å; P699-E703 WeakPolarHBondContact O-CB 3.36Å; P699-E703 PolarHBondContact O-N 3.34Å |
| 700 | R | 75 | Confident | 75.9 | Confident | 174 Ų | 174 | 71.7 Ų | 71.7 | 66% | 0.657 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -76.5 | -37.4 | -179.3 | -50.9 | 170.6 | -66.3 | 164.6 | 2.3 | 111.6 | D698 L704 | D698-R700 PolarHBondContact O-N 2.68Å; D698-R700 VanDerWaalsContact OD1-CB 3.23Å; D698-R700 WeakPolarHBondContact OD1-CB 3.39Å; D698-R700 VanDerWaalsContact OD1-CG 3.31Å; D698-R700 WeakPolarHBondContact OD1-CG 3.39Å; D698-R700 IonicContact OD1-CZ 3.33Å; D698-R700 PolarHBondContact OD1-N 3.04Å; D698-R700 IonicContact OD1-NE 3.21Å; D698-R700 PolarHBondContact OD1-NE 3.3Å; D698-R700 IonicContact OD1-NH2 3.28Å; D698-R700 IonicContact OD2-CZ 2.62Å; D698-R700 IonicContact OD2-NE 3.85Å; D698-R700 PolarHBondContact OD2-NE 2.93Å; D698-R700 IonicContact OD2-NH2 2.67Å; D698-R700 PolarHBondContact OD2-NH2 2.84Å; R700-L704 WeakPolarHBondContact O-CB 3.13Å; R700-L704 PolarHBondContact O-N 3.45Å; R700-L704 VanDerWaalsContact O-N 3.12Å |
| 701 | F | 85.7 | Confident | 74.8 | Confident | 38 Ų | 38 | 69.8 Ų | 69.8 | 17% | 0.167 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -70.5 | -40.7 | 172.7 | -179.6 | -86.2 | 0 | 0 | 0 | 109.9 | L681 M685 L695 L696 D698 E703 L704 Y705 | L681-F701 HydrophobicContact CD1-CE1 3.72Å; L681-F701 HydrophobicContact CD1-CZ 3.97Å; L681-F701 HydrophobicContact CD2-CE1 4.29Å; L681-F701 HydrophobicContact CD2-CZ 3.81Å; M685-F701 HydrophobicContact CE-CE2 4.44Å; M685-F701 HydrophobicContact CE-CZ 4.23Å; L695-F701 HydrophobicContact CB-CD1 3.76Å; L695-F701 HydrophobicContact CB-CD2 4.17Å; L695-F701 HydrophobicContact CB-CE1 3.85Å; L695-F701 HydrophobicContact CB-CE2 4.24Å; L695-F701 HydrophobicContact CB-CG 3.93Å; L695-F701 HydrophobicContact CB-CZ 4.09Å; L695-F701 HydrophobicContact CD1-CE2 4.05Å; L695-F701 HydrophobicContact CD1-CZ 4.19Å; L695-F701 HydrophobicContact CD2-CD2 3.92Å; L695-F701 HydrophobicContact CD2-CE2 4.27Å; L695-F701 HydrophobicContact CD2-CG 4.26Å; L695-F701 HydrophobicContact CG-CD2 4.43Å; L695-F701 HydrophobicContact CG-CE2 4.44Å; L695-F701 WeakPolarHBondContact O-CB 3.45Å; L695-F701 VanDerWaalsContact O-CD1 3.27Å; L695-F701 WeakPolarHBondContact O-CD1 3.48Å; L696-F701 HydrophobicContact CD2-CE1 4.34Å; D698-F701 HydrophobicContact CB-CB 4.08Å; D698-F701 PolarHBondContact O-N 2.83Å; D698-F701 VanDerWaalsContact O-N 3.08Å; F701-E703 PolarHBondContact O-N 2.84Å; F701-L704 PolarHBondContact O-N 3.2Å; F701-Y705 HydrophobicContact CE1-CD2 4.36Å; F701-Y705 HydrophobicContact CE1-CG 4.33Å; F701-Y705 WeakPolarHBondContact O-CB 3.34Å; F701-Y705 PolarHBondContact O-N 3.01Å |
| 702 | M | 74.6 | Confident | 73.5 | Confident | 40 Ų | 40 | 72.3 Ų | 72.3 | 20% | 0.197 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 173.2 | -86.9 | -57.6 | -48.3 | 0 | 0 | 113.5 | F674 L696 D698 A706 | F674-M702 HydrophobicContact CD1-SD 4.44Å; F674-M702 HydrophobicContact CE1-CE 3.67Å; F674-M702 HydrophobicContact CE1-SD 3.59Å; F674-M702 VanDerWaalsContact CE1-SD 3.59Å; F674-M702 HydrophobicContact CZ-CE 4.07Å; F674-M702 HydrophobicContact CZ-SD 4.14Å; L696-M702 HydrophobicContact CB-SD 4.35Å; L696-M702 HydrophobicContact CD2-SD 3.45Å; L696-M702 WeakPolarHBondContact CD2-SD 3.4Å; L696-M702 WeakPolarHBondContact O-CG 3.47Å; D698-M702 PolarHBondContact O-N 2.8Å; M702-A706 VanDerWaalsContact O-CB 3.26Å; M702-A706 WeakPolarHBondContact O-CB 3.36Å; M702-A706 PolarHBondContact O-N 3.47Å |
| 703 | E | 73 | Confident | 71.5 | Confident | 126 Ų | 126 | 75.8 Ų | 75.8 | 59% | 0.589 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.4 | -49.1 | 173.8 | -177.8 | 178.2 | -155.5 | 0 | 0 | 111.3 | P699 F701 L707 | P699-E703 WeakPolarHBondContact O-CB 3.36Å; P699-E703 PolarHBondContact O-N 3.34Å; F701-E703 PolarHBondContact O-N 2.84Å; E703-L707 HydrophobicContact CG-CD1 4.32Å; E703-L707 WeakPolarHBondContact O-CB 3.37Å; E703-L707 WeakPolarHBondContact O-CG 3.37Å; E703-L707 PolarHBondContact O-N 3.04Å |
| 704 | L | 75.5 | Confident | 69.6 | Low | 108 Ų | 108 | 79.2 Ų | 79.2 | 57% | 0.565 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.7 | -42.2 | 178 | -173.8 | 66.8 | 0 | 0 | 0 | 112.3 | R700 F701 L707 T708 | R700-L704 WeakPolarHBondContact O-CB 3.13Å; R700-L704 PolarHBondContact O-N 3.45Å; R700-L704 VanDerWaalsContact O-N 3.12Å; F701-L704 PolarHBondContact O-N 3.2Å; L704-L707 WeakPolarHBondContact O-CB 3.27Å; L704-L707 PolarHBondContact O-N 2.93Å; L704-T708 PolarHBondContact O-N 3.05Å; L704-T708 PolarHBondContact O-OG1 2.87Å; L704-T708 VanDerWaalsContact O-OG1 3.05Å |
| 705 | Y | 77 | Confident | 67.5 | Low | 21 Ų | 21 | 77.7 Ų | 77.7 | 8% | 0.082 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 179.2 | -178.8 | -102.4 | 0 | 0 | 0 | 111.5 | H677 L680 L681 L696 F701 T708 M709 | H677-Y705 HydrophobicContact CB-CE1 3.88Å; H677-Y705 AromaticContact CG-CE1 3.65Å; H677-Y705 AromaticContact ND1-CE1 3.4Å; H677-Y705 WeakPolarHBondContact ND1-CE1 3.22Å; H677-Y705 AromaticContact ND1-CZ 3.56Å; H677-Y705 PolarHBondContact ND1-OH 2.95Å; L680-Y705 WeakPolarHBondContact CD2-OH 3.39Å; L681-Y705 HydrophobicContact CD2-CD2 3.94Å; L681-Y705 HydrophobicContact CD2-CE2 3.68Å; L681-Y705 HydrophobicContact CG-CE2 4.13Å; L696-Y705 HydrophobicContact CD2-CD1 4.43Å; F701-Y705 HydrophobicContact CE1-CD2 4.36Å; F701-Y705 HydrophobicContact CE1-CG 4.33Å; F701-Y705 WeakPolarHBondContact O-CB 3.34Å; F701-Y705 PolarHBondContact O-N 3.01Å; Y705-T708 PolarHBondContact O-N 3.3Å; Y705-M709 HydrophobicContact CD1-CG 4.25Å; Y705-M709 HydrophobicContact CD2-CG 4.46Å; Y705-M709 HydrophobicContact CE1-CG 3.83Å; Y705-M709 HydrophobicContact CE2-CG 4.06Å; Y705-M709 HydrophobicContact CE2-SD 4.17Å; Y705-M709 WeakPolarHBondContact O-CB 3.32Å; Y705-M709 WeakPolarHBondContact O-CG 3.4Å; Y705-M709 PolarHBondContact O-N 3.12Å |
| 706 | A | 69.3 | Low | 65.3 | Low | 53 Ų | 53 | 78.9 Ų | 78.9 | 44% | 0.438 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | M702 A710 | M702-A706 VanDerWaalsContact O-CB 3.26Å; M702-A706 WeakPolarHBondContact O-CB 3.36Å; M702-A706 PolarHBondContact O-N 3.47Å; A706-A710 VanDerWaalsContact O-CB 3.22Å; A706-A710 WeakPolarHBondContact O-CB 3.31Å; A706-A710 PolarHBondContact O-N 2.85Å |
| 707 | L | 70.2 | Confident | 62.7 | Low | 105 Ų | 105 | 86.7 Ų | 86.7 | 55% | 0.55 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 172.8 | -83.3 | 162 | 0 | 0 | 0 | 112.2 | E703 L704 A710 T711 | E703-L707 HydrophobicContact CG-CD1 4.32Å; E703-L707 WeakPolarHBondContact O-CB 3.37Å; E703-L707 WeakPolarHBondContact O-CG 3.37Å; E703-L707 PolarHBondContact O-N 3.04Å; L704-L707 WeakPolarHBondContact O-CB 3.27Å; L704-L707 PolarHBondContact O-N 2.93Å; L707-A710 PolarHBondContact O-N 3.26Å; L707-T711 WeakPolarHBondContact O-CB 3.23Å; L707-T711 PolarHBondContact O-N 3.39Å; L707-T711 PolarHBondContact O-OG1 3.16Å |
| 708 | T | 69.8 | Low | 60.4 | Low | 68 Ų | 68 | 85.7 Ų | 85.7 | 42% | 0.417 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.1 | -49.2 | 176.8 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | L704 Y705 A710 T711 L712 | L704-T708 PolarHBondContact O-N 3.05Å; L704-T708 PolarHBondContact O-OG1 2.87Å; L704-T708 VanDerWaalsContact O-OG1 3.05Å; Y705-T708 PolarHBondContact O-N 3.3Å; T708-A710 VanDerWaalsContact C-N 3.34Å; T708-A710 PolarHBondContact O-N 2.96Å; T708-T711 PolarHBondContact O-N 3.06Å; T708-T711 VanDerWaalsContact O-N 3.14Å; T708-L712 HydrophobicContact CG2-CD1 4.06Å; T708-L712 WeakPolarHBondContact O-CG 3.46Å; T708-L712 PolarHBondContact O-N 2.9Å |
| 709 | M | 67.1 | Low | 58 | Low | 66 Ų | 66 | 86.3 Ų | 86.3 | 33% | 0.325 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -38 | 178.9 | -68 | -54.6 | -55.1 | 0 | 0 | 112.4 | L680 Y705 T711 L712 S713 | L680-M709 HydrophobicContact CD2-CE 4.26Å; L680-M709 HydrophobicContact CD2-SD 3.99Å; Y705-M709 HydrophobicContact CD1-CG 4.25Å; Y705-M709 HydrophobicContact CD2-CG 4.46Å; Y705-M709 HydrophobicContact CE1-CG 3.83Å; Y705-M709 HydrophobicContact CE2-CG 4.06Å; Y705-M709 HydrophobicContact CE2-SD 4.17Å; Y705-M709 WeakPolarHBondContact O-CB 3.32Å; Y705-M709 WeakPolarHBondContact O-CG 3.4Å; Y705-M709 PolarHBondContact O-N 3.12Å; M709-T711 VanDerWaalsContact C-N 3.35Å; M709-L712 PolarHBondContact O-N 3Å; M709-L712 HydrophobicContact SD-CD1 4.35Å; M709-S713 PolarHBondContact O-N 3.42Å; M709-S713 PolarHBondContact O-OG 2.85Å |
| 710 | A | 54.2 | Low | 56 | Low | 43 Ų | 43 | 85 Ų | 85 | 36% | 0.355 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.2 | -30 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A706 L707 T708 S713 N714 | A706-A710 VanDerWaalsContact O-CB 3.22Å; A706-A710 WeakPolarHBondContact O-CB 3.31Å; A706-A710 PolarHBondContact O-N 2.85Å; L707-A710 PolarHBondContact O-N 3.26Å; T708-A710 VanDerWaalsContact C-N 3.34Å; T708-A710 PolarHBondContact O-N 2.96Å; A710-S713 WeakPolarHBondContact CA-OG 3.28Å; A710-S713 PolarHBondContact O-OG 3.08Å; A710-S713 VanDerWaalsContact O-OG 3.12Å; A710-N714 WeakPolarHBondContact O-CB 3.24Å; A710-N714 PolarHBondContact O-N 3.47Å; A710-N714 PolarHBondContact O-ND2 2.98Å; A710-N714 VanDerWaalsContact O-ND2 3.13Å; A710-N714 PolarHBondContact O-OD1 3.45Å |
| 711 | T | 56 | Low | 53.9 | Low | 97 Ų | 97 | 83.4 Ų | 83.4 | 60% | 0.595 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.3 | -40.2 | 173.9 | -54.2 | 0 | 0 | 0 | 0 | 110.5 | L707 T708 M709 | L707-T711 WeakPolarHBondContact O-CB 3.23Å; L707-T711 PolarHBondContact O-N 3.39Å; L707-T711 PolarHBondContact O-OG1 3.16Å; T708-T711 PolarHBondContact O-N 3.06Å; T708-T711 VanDerWaalsContact O-N 3.14Å; M709-T711 VanDerWaalsContact C-N 3.35Å |
| 712 | L | 50.8 | Low | 51.4 | Low | 102 Ų | 102 | 86.6 Ų | 86.6 | 53% | 0.534 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70 | -35.5 | 175.4 | -67.8 | 168.9 | 0 | 0 | 0 | 113.2 | T708 M709 N714 S715 | T708-L712 HydrophobicContact CG2-CD1 4.06Å; T708-L712 WeakPolarHBondContact O-CG 3.46Å; T708-L712 PolarHBondContact O-N 2.9Å; M709-L712 PolarHBondContact O-N 3Å; M709-L712 HydrophobicContact SD-CD1 4.35Å; L712-N714 VanDerWaalsContact C-N 3.33Å; L712-S715 PolarHBondContact O-OG 3.02Å |
| 713 | S | 40.1 | Very low | 49.5 | Very low | 74 Ų | 74 | 90.2 Ų | 90.2 | 52% | 0.517 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.9 | -30.6 | 176.5 | 66 | 0 | 0 | 0 | 0 | 112.8 | M709 A710 S715 | M709-S713 PolarHBondContact O-N 3.42Å; M709-S713 PolarHBondContact O-OG 2.85Å; A710-S713 WeakPolarHBondContact CA-OG 3.28Å; A710-S713 PolarHBondContact O-OG 3.08Å; A710-S713 VanDerWaalsContact O-OG 3.12Å; S713-S715 PolarHBondContact O-N 3.23Å |
| 714 | N | 37.8 | Very low | 47.5 | Very low | 133 Ų | 133 | 89.7 Ų | 89.7 | 71% | 0.711 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 7.3 | -177.1 | -66.3 | -9.7 | 0 | 0 | 0 | 113.6 | A710 L712 | A710-N714 WeakPolarHBondContact O-CB 3.24Å; A710-N714 PolarHBondContact O-N 3.47Å; A710-N714 PolarHBondContact O-ND2 2.98Å; A710-N714 VanDerWaalsContact O-ND2 3.13Å; A710-N714 PolarHBondContact O-OD1 3.45Å; L712-N714 VanDerWaalsContact C-N 3.33Å |
| 715 | S | 38.4 | Very low | 45.4 | Very low | 87 Ų | 87 | 89.8 Ų | 89.8 | 61% | 0.608 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110 | 22.4 | 176.3 | 61.7 | 0 | 0 | 0 | 0 | 113.5 | L712 S713 | L712-S715 PolarHBondContact O-OG 3.02Å; S713-S715 PolarHBondContact O-N 3.23Å |
| 716 | V | 36 | Very low | 43.1 | Very low | 76 Ų | 76 | 94 Ų | 94 | 46% | 0.461 | 58% | 0.576 | S | S | . | * | | | trans | -127.1 | 56.4 | -171.7 | -161.4 | 0 | 0 | 0 | 0 | 112.2 | G718 V719 | V716-G718 PolarHBondContact O-N 2.93Å; V716-V719 HydrophobicContact CG1-CB 4.15Å; V716-V719 HydrophobicContact CG1-CG2 3.58Å |
| 717 | D | 29.4 | Very low | 41.3 | Very low | 177 Ų | 177 | 97.3 Ų | 97.3 | 95% | 0.947 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 90.2 | 167.3 | -82.9 | -43.6 | 0 | 0 | 0 | 110.1 | | |
| 718 | G | 31.8 | Very low | 39.6 | Very low | 71 Ų | 71 | 97.4 Ų | 97.4 | 73% | 0.732 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 160.1 | -13.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 118 | V716 | V716-G718 PolarHBondContact O-N 2.93Š|
| 719 | V | 32.8 | Very low | 37.6 | Very low | 55 Ų | 55 | 99.9 Ų | 99.9 | 33% | 0.333 | 62% | 0.618 | S | S | . | * | | | trans | -90.6 | 129.8 | -178.4 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | V716 L724 | V716-V719 HydrophobicContact CG1-CB 4.15Å; V716-V719 HydrophobicContact CG1-CG2 3.58Å; V719-L724 HydrophobicContact CG1-CD1 4.28Å |
| 720 | P | 31.1 | Very low | 35.7 | Very low | 70 Ų | 70 | 100 Ų | 100 | 46% | 0.455 | 64% | 0.635 | S | S | . | * | | | trans | -70.9 | 148.2 | 178.3 | 28.6 | -34.9 | 0 | 0 | 0 | 112.9 | S722 | P720-S722 PolarHBondContact O-N 2.77Š|
| 721 | D | 30.6 | Very low | 34.4 | Very low | 142 Ų | 142 | 102.6 Ų | 102.6 | 76% | 0.759 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -2.8 | -175.4 | -68.7 | -40.1 | 0 | 0 | 0 | 116.6 | | |
| 722 | S | 34.4 | Very low | 32.9 | Very low | 104 Ų | 104 | 103.5 Ų | 103.5 | 73% | 0.727 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -5.8 | -172.2 | 54.4 | 0 | 0 | 0 | 0 | 115.5 | P720 | P720-S722 PolarHBondContact O-N 2.77Š|
| 723 | I | 34.2 | Very low | 31.9 | Very low | 116 Ų | 116 | 105.2 Ų | 105.2 | 60% | 0.595 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -117 | -22.1 | -172.9 | -55.9 | -178.8 | 0 | 0 | 0 | 112.8 | | |
| 724 | L | 30.9 | Very low | 31.3 | Very low | 116 Ų | 116 | 107.8 Ų | 107.8 | 61% | 0.607 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -86.7 | 135.4 | 179.1 | -76.9 | 161.3 | 0 | 0 | 0 | 111.7 | V719 | V719-L724 HydrophobicContact CG1-CD1 4.28Š|
| 725 | P | 31.7 | Very low | 30.8 | Very low | 110 Ų | 110 | 107.9 Ų | 107.9 | 71% | 0.714 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 141.8 | 172.6 | 28.7 | -33.9 | 0 | 0 | 0 | 110.2 | | |
| 726 | P | 29.2 | Very low | 30.4 | Very low | 110 Ų | 110 | 113.3 Ų | 113.3 | 71% | 0.714 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 143.1 | -173.3 | 25.7 | -34.8 | 0 | 0 | 0 | 111.8 | V728 | P726-V728 PolarHBondContact O-N 3.36Š|
| 727 | P | 30.7 | Very low | 30 | Very low | 122 Ų | 122 | 113 Ų | 113 | 79% | 0.792 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 128.4 | 176.1 | 25.6 | -33.8 | 0 | 0 | 0 | 109.9 | S729 | P727-S729 PolarHBondContact O-N 3.48Š|
| 728 | V | 35.4 | Very low | 29.9 | Very low | 106 Ų | 106 | 111.9 Ų | 111.9 | 64% | 0.642 | 69% | 0.692 | S | S | * | * | | | trans | -65.6 | 107.1 | -172.2 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | P726 G730 | P726-V728 PolarHBondContact O-N 3.36Å; V728-G730 PolarHBondContact O-N 3.21Å |
| 729 | S | 27.3 | Very low | 29.7 | Very low | 121 Ų | 121 | 114.8 Ų | 114.8 | 85% | 0.846 | 70% | 0.695 | S | S | * | * | | | trans | -60.4 | 107 | 177.5 | -64.6 | 0 | 0 | 0 | 0 | 112.1 | P727 | P727-S729 PolarHBondContact O-N 3.48Š|
| 730 | G | 27 | Very low | 29.3 | Very low | 67 Ų | 67 | 118.9 Ų | 118.9 | 69% | 0.691 | 71% | 0.714 | S | S | * | * | | | trans | 68.6 | 78.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | V728 S732 | V728-G730 PolarHBondContact O-N 3.21Å; G730-S732 PolarHBondContact O-N 2.95Å; G730-S732 VanDerWaalsContact O-N 3.14Å |
| 731 | I | 26.5 | Very low | 29.2 | Very low | 99 Ų | 99 | 122.9 Ų | 122.9 | 51% | 0.508 | 73% | 0.73 | S | S | . | * | | | trans | -69.8 | 104.8 | 153.2 | -59.3 | 179.3 | 0 | 0 | 0 | 107.6 | F674 L733 | F674-I731 HydrophobicContact CZ-CD1 3.95Å; I731-L733 HydrophobicContact CG2-CD1 3.99Å; I731-L733 PolarHBondContact O-N 2.65Å; I731-L733 VanDerWaalsContact O-N 3.14Å |
| 732 | S | 24.4 | Very low | 28.8 | Very low | 115 Ų | 115 | 120.9 Ų | 120.9 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | | | trans | -79.1 | 90 | -179.5 | 46.8 | 0 | 0 | 0 | 0 | 111.9 | G730 | G730-S732 PolarHBondContact O-N 2.95Å; G730-S732 VanDerWaalsContact O-N 3.14Å |
| 733 | L | 29.7 | Very low | 28.5 | Very low | 139 Ų | 139 | 122 Ų | 122 | 73% | 0.728 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 145.2 | 168.2 | -75.7 | 92.2 | 0 | 0 | 0 | 111.1 | I731 | I731-L733 HydrophobicContact CG2-CD1 3.99Å; I731-L733 PolarHBondContact O-N 2.65Å; I731-L733 VanDerWaalsContact O-N 3.14Å |
| 734 | P | 28.9 | Very low | 28.1 | Very low | 128 Ų | 128 | 121.9 Ų | 121.9 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 139.6 | 178.6 | -22.4 | 33.8 | 0 | 0 | 0 | 113.4 | | |
| 735 | N | 26.8 | Very low | 27.9 | Very low | 135 Ų | 135 | 122.4 Ų | 122.4 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -67 | 129.1 | -177.5 | -97.7 | -45.8 | 0 | 0 | 0 | 113.9 | | |
| 736 | H | 30.8 | Very low | 27.6 | Very low | 200 Ų | 200 | 124.1 Ų | 124.1 | 93% | 0.926 | 75% | 0.75 | S | S | * | * | | | trans | -133.6 | 123.6 | 135.3 | -86.2 | -70.1 | 0 | 0 | 0 | 108.4 | | |
| 737 | A | 27.2 | Very low | 27.6 | Very low | 71 Ų | 71 | 123.3 Ų | 123.3 | 59% | 0.587 | 75% | 0.747 | S | S | * | * | | | trans | -92.3 | 147.7 | -154.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 738 | N | 26.4 | Very low | 27.4 | Very low | 153 Ų | 153 | 122.1 Ų | 122.1 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | | | | -179 | 147.4 | 105.9 | -90.3 | -36.1 | 0 | 0 | 0 | 112.6 | | |
| 739 | T | 28.4 | Very low | 27.1 | Very low | 131 Ų | 131 | 123.2 Ų | 123.2 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | | | trans | 78.8 | 90 | -178.5 | -28 | 0 | 0 | 0 | 0 | 114.6 | | |
| 740 | I | 24.6 | Very low | 27.2 | Very low | 141 Ų | 141 | 125.8 Ų | 125.8 | 72% | 0.723 | 74% | 0.743 | S | S | * | * | | | trans | -101 | 136.3 | 166.4 | -63.3 | 170.5 | 0 | 0 | 0 | 108 | | |
| 741 | I | 27.6 | Very low | 27.1 | Very low | 154 Ų | 154 | 128.9 Ų | 128.9 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | | | trans | -126.3 | 118.3 | 160.5 | -62.5 | 179.4 | 0 | 0 | 0 | 106.6 | | |
| 742 | S | 23.4 | Very low | 27.3 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | trans | -92.1 | 130.3 | -175.7 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 743 | T | 28.2 | Very low | 27.4 | Very low | 128 Ų | 128 | 132 Ų | 132 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | trans | -127.9 | 89 | 162 | 51.6 | 0 | 0 | 0 | 0 | 109.3 | V745 | T743-V745 PolarHBondContact O-N 2.99Š|
| 744 | S | 24.4 | Very low | 27.4 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | | | trans | -72.2 | 118.3 | 169.2 | 51.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 745 | V | 28.5 | Very low | 27.2 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | | | trans | -103.7 | 108.6 | 165.6 | -171.6 | 0 | 0 | 0 | 0 | 107.2 | T743 | T743-V745 PolarHBondContact O-N 2.99Š|
| 746 | N | 24.9 | Very low | 27.3 | Very low | 145 Ų | 145 | 127.7 Ų | 127.7 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | | | trans | -101.5 | 85.2 | -175.4 | -173 | 28.5 | 0 | 0 | 0 | 109.6 | S748 | N746-S748 VanDerWaalsContact C-N 3.32Å; N746-S748 PolarHBondContact O-N 3.25Å |
| 747 | S | 28.7 | Very low | 27.1 | Very low | 94 Ų | 94 | 125.4 Ų | 125.4 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | | | trans | -78.4 | 76.3 | -176.2 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | N749 | S747-N749 VanDerWaalsContact C-N 3.26Å; S747-N749 PolarHBondContact O-N 2.81Å |
| 748 | S | 27.2 | Very low | 27.1 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | | | trans | -75.8 | 72.7 | 172.7 | 60.4 | 0 | 0 | 0 | 0 | 111.6 | N746 Q750 | N746-S748 VanDerWaalsContact C-N 3.32Å; N746-S748 PolarHBondContact O-N 3.25Å; S748-Q750 PolarHBondContact O-N 2.66Å |
| 749 | N | 28.4 | Very low | 27.2 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 69% | 0.69 | 74% | 0.743 | S | S | * | * | | | trans | -70.9 | 87.8 | 172.2 | -89.4 | -7.3 | 0 | 0 | 0 | 110.5 | S747 N751 | S747-N749 VanDerWaalsContact C-N 3.26Å; S747-N749 PolarHBondContact O-N 2.81Å; N749-N751 PolarHBondContact O-N 2.98Å |
| 750 | Q | 29.2 | Very low | 27.2 | Very low | 175 Ų | 175 | 134.9 Ų | 134.9 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | trans | -74.9 | 111.6 | 160.1 | -79.7 | -151.7 | -9.3 | 0 | 0 | 109.9 | S748 I752 | S748-Q750 PolarHBondContact O-N 2.66Å; Q750-I752 PolarHBondContact O-N 2.88Å |
| 751 | N | 25.9 | Very low | 27.4 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | trans | -67.5 | 115.1 | 168.8 | 169.6 | 17.8 | 0 | 0 | 0 | 111 | N749 | N749-N751 PolarHBondContact O-N 2.98Š|
| 752 | I | 30.2 | Very low | 27.4 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 69% | 0.687 | 75% | 0.746 | S | S | * | * | | | trans | -136.7 | 126.5 | 150.1 | -78.3 | 102.7 | 0 | 0 | 0 | 108.5 | Q750 | Q750-I752 PolarHBondContact O-N 2.88Š|
| 753 | N | 26.2 | Very low | 27.7 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | | | trans | -84.4 | 119.8 | 167.4 | -74.6 | -60.9 | 0 | 0 | 0 | 110.7 | | |
| 754 | S | 29.3 | Very low | 27.8 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | | | trans | -154.3 | 114.9 | 151.9 | -79.4 | 0 | 0 | 0 | 0 | 106.5 | | |
| 755 | S | 25.3 | Very low | 28 | Very low | 101 Ų | 101 | 129 Ų | 129 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | | | cis | 70.2 | 121.7 | 49.4 | 96.6 | 0 | 0 | 0 | 0 | 113 | | |
| 756 | S | 28.6 | Very low | 28 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | | | trans | 64.6 | 157.9 | -176.7 | 84.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 757 | Q | 27 | Very low | 28.2 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | | | cis | -161.3 | -179.1 | -26.3 | -112 | 179.4 | 10.9 | 0 | 0 | 108.2 | | |
| 758 | F | 27 | Very low | 28.3 | Very low | 164 Ų | 164 | 135 Ų | 135 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | | | trans | 67.7 | 110 | 171.9 | -55.2 | -73.1 | 0 | 0 | 0 | 116.4 | | |
| 759 | R | 29.2 | Very low | 28.4 | Very low | 224 Ų | 224 | 136.2 Ų | 136.2 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | | | | 63.9 | 104.8 | 75 | -73.7 | -167 | 174.8 | -156.6 | 0.9 | 114.1 | | |
| 760 | N | 27.8 | Very low | 28.7 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | | | | -167.7 | 134 | 126 | -95.9 | -25.9 | 0 | 0 | 0 | 109 | | |
| 761 | G | 28.6 | Very low | 28.6 | Very low | 62 Ų | 62 | 134.5 Ų | 134.5 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | | | cis | 179.7 | 176.3 | -6.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 762 | N | 27.8 | Very low | 29 | Very low | 157 Ų | 157 | 133.4 Ų | 133.4 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | | | trans | -160 | 149.8 | 159.9 | -124 | -14.2 | 0 | 0 | 0 | 112.3 | | |
| 763 | T | 29.8 | Very low | 28.8 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | | | trans | 50.3 | 117.2 | 163 | 50.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 764 | A | 29.4 | Very low | 29 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 91% | 0.909 | 76% | 0.756 | S | S | * | * | | | trans | 57.5 | 132.2 | 150.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 765 | G | 28.9 | Very low | 28.9 | Very low | 61 Ų | 61 | 138.3 Ų | 138.3 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | | | cis | 139.2 | 142.9 | -0.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 766 | H | 29.3 | Very low | 29.1 | Very low | 187 Ų | 187 | 136.5 Ų | 136.5 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | | | trans | 65.1 | 143.6 | -173.9 | -54.7 | -64.3 | 0 | 0 | 0 | 113.8 | | |
| 767 | S | 29.4 | Very low | 29 | Very low | 87 Ų | 87 | 139.7 Ų | 139.7 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | | | cis | -159.3 | 156.2 | -7.5 | -112.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 768 | R | 29.2 | Very low | 29.1 | Very low | 219 Ų | 219 | 138.8 Ų | 138.8 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | | | trans | 54.5 | 122 | 145 | -71.9 | -174.1 | 171.8 | -169.5 | -3.3 | 120.4 | | |
| 769 | T | 30.6 | Very low | 29.3 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | | | | 58.2 | 149 | 126.6 | 66.4 | 0 | 0 | 0 | 0 | 121.5 | | |
| 770 | T | 33.9 | Very low | 29.4 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 69% | 0.693 | 77% | 0.771 | S | S | * | * | | | cis | -170.3 | 123.8 | -17.2 | -89.1 | 0 | 0 | 0 | 0 | 106.2 | | |
| 771 | D | 26.9 | Very low | 29.6 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | | | trans | 53.3 | 169.5 | 161 | -82.8 | -27.2 | 0 | 0 | 0 | 120 | | |
| 772 | P | 33.8 | Very low | 29.7 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | | | trans | -129 | -158.6 | -150.7 | 45.5 | -31.1 | 0 | 0 | 0 | 114.1 | | |
| 773 | S | 26.8 | Very low | 29.9 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | 91.1 | 152.1 | 164.2 | 83.3 | 0 | 0 | 0 | 0 | 117.9 | | |
| 774 | Q | 30.5 | Very low | 29.9 | Very low | 165 Ų | 165 | 130.4 Ų | 130.4 | 77% | 0.771 | 76% | 0.764 | S | S | * | * | | | trans | 73.3 | 109.2 | 167.7 | -53.7 | -169.1 | 34 | 0 | 0 | 119.4 | | |
| 775 | F | 26.4 | Very low | 30.1 | Very low | 216 Ų | 216 | 133.8 Ų | 133.8 | 95% | 0.947 | 76% | 0.761 | S | S | * | * | | | | 47.5 | 152 | 123.2 | -69.6 | -80.1 | 0 | 0 | 0 | 122.4 | | |
| 776 | G | 29.7 | Very low | 30 | Very low | 63 Ų | 63 | 139.1 Ų | 139.1 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | | | trans | 100.8 | 89.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 777 | E | 27.1 | Very low | 29.9 | Very low | 180 Ų | 180 | 135.2 Ų | 135.2 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | | | | 51.9 | 106.5 | 79.7 | -58.1 | -170.4 | 170.3 | 0 | 0 | 113.7 | | |
| 778 | T | 29.6 | Very low | 29.9 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | | 179.3 | 155.7 | 107.8 | 28.2 | 0 | 0 | 0 | 0 | 114 | | |
| 779 | S | 31.8 | Very low | 29.6 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | | | trans | 65.4 | 105.4 | 153.8 | 48.5 | 0 | 0 | 0 | 0 | 122.6 | | |
| 780 | L | 29.5 | Very low | 29.4 | Very low | 168 Ų | 168 | 133.4 Ų | 133.4 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | | | | 65.2 | 143.3 | 127 | -81.6 | 74.9 | 0 | 0 | 0 | 120.6 | | |
| 781 | S | 32.1 | Very low | 29 | Very low | 94 Ų | 94 | 132.8 Ų | 132.8 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | cis | -164.4 | 142 | -3.3 | 50.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 782 | H | 31.9 | Very low | 29 | Very low | 184 Ų | 184 | 132.2 Ų | 132.2 | 85% | 0.852 | 76% | 0.756 | S | S | * | * | | | trans | 63.7 | 147.2 | 151.7 | -79.6 | 8.1 | 0 | 0 | 0 | 119.4 | | |
| 783 | C | 32.3 | Very low | 28.7 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | | | cis | -141.5 | 139.4 | -5.4 | -149.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 784 | G | 29.6 | Very low | 28.8 | Very low | 67 Ų | 67 | 136.5 Ų | 136.5 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | | | | 83.3 | 127.9 | 87.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 785 | Q | 32.8 | Very low | 28.8 | Very low | 181 Ų | 181 | 137.4 Ų | 137.4 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | | | cis | -133.1 | 157.8 | 15.7 | -73.2 | 151.5 | -16.8 | 0 | 0 | 109.4 | | |
| 786 | Q | 26.4 | Very low | 29 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | | 58.8 | 137.4 | 63.1 | -116.8 | -171.5 | 4.2 | 0 | 0 | 112.1 | | |
| 787 | V | 28.5 | Very low | 28.9 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 64% | 0.642 | 76% | 0.759 | S | S | * | * | | | cis | -152.1 | 172.6 | 16.9 | -151.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 788 | N | 28 | Very low | 29.2 | Very low | 138 Ų | 138 | 136 Ų | 136 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | | | trans | 68.4 | 130.6 | 155.2 | -77.3 | -13.5 | 0 | 0 | 0 | 118 | | |
| 789 | L | 24.5 | Very low | 29.2 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | | | cis | 71.7 | 117.6 | 20.5 | -125.4 | 178.3 | 0 | 0 | 0 | 114.6 | | |
| 790 | S | 24.6 | Very low | 29 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | | | trans | 71.4 | 171.2 | 173.7 | 84.5 | 0 | 0 | 0 | 0 | 117.9 | | |
| 791 | S | 27.1 | Very low | 29.1 | Very low | 100 Ų | 100 | 136 Ų | 136 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | | | trans | 58.7 | 100.1 | -172.5 | 55.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 792 | I | 26.6 | Very low | 28.9 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | | | | 84.2 | 134.1 | 57 | -67.4 | 165.2 | 0 | 0 | 0 | 112.5 | | |
| 793 | Q | 27.7 | Very low | 28.8 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 77% | 0.771 | 73% | 0.726 | S | S | * | * | | | trans | 68.9 | 143.1 | 168 | -76.9 | 157.4 | 41.4 | 0 | 0 | 116.9 | | |
| 794 | N | 27.5 | Very low | 28.5 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | | | cis | 179.2 | 178.4 | -28 | -113.9 | -17.8 | 0 | 0 | 0 | 105.9 | | |
| 795 | K | 31.2 | Very low | 28.5 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | | | trans | 73.7 | 124.8 | 163.1 | -52.8 | -165.3 | -175.9 | 178.6 | 0 | 115.5 | | |
| 796 | L | 30.8 | Very low | 28.2 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 73% | 0.728 | 72% | 0.721 | S | S | * | * | | | cis | -147.8 | 138.6 | -24.8 | -105.5 | 121.6 | 0 | 0 | 0 | 103.3 | | |
| 797 | Y | 27.2 | Very low | 28.3 | Very low | 206 Ų | 206 | 134.7 Ų | 134.7 | 81% | 0.808 | 72% | 0.716 | S | S | * | * | | | | 50.5 | 145.8 | 76.9 | -82.3 | -69.2 | 0 | 0 | 0 | 113.8 | | |
| 798 | P | 33.7 | Very low | 28.4 | Very low | 84 Ų | 84 | 135.9 Ų | 135.9 | 55% | 0.545 | 72% | 0.719 | S | S | . | * | | | | -129.6 | -135.6 | -54.1 | 31.7 | -8.7 | 0 | 0 | 0 | 109 | | |
| 799 | Y | 28.5 | Very low | 28.5 | Very low | 199 Ų | 199 | 136.5 Ų | 136.5 | 78% | 0.78 | 72% | 0.716 | S | S | * | * | | | cis | -158.1 | 143.1 | 42.8 | -115.1 | -61.3 | 0 | 0 | 0 | 110.6 | | |
| 800 | S | 27.8 | Very low | 28.7 | Very low | 85 Ų | 85 | 134.9 Ų | 134.9 | 59% | 0.594 | 71% | 0.708 | S | S | * | * | | | trans | -34.2 | 152.1 | 143.9 | -50.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 801 | N | 32.3 | Very low | 29 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 59% | 0.594 | 72% | 0.715 | S | S | * | * | | | | -171.7 | 145.6 | 85.6 | -73.1 | -41.8 | 0 | 0 | 0 | 107.9 | M803 | N801-M803 HydrophobicContact CB-CE 4.46Å; N801-M803 HydrophobicContact CB-CG 4.16Å; N801-M803 WeakPolarHBondContact ND2-CE 3.31Å |
| 802 | M | 27.5 | Very low | 29.2 | Very low | 171 Ų | 171 | 138.8 Ų | 138.8 | 84% | 0.842 | 72% | 0.719 | S | S | * | * | | | cis | 51 | 54.6 | 1 | -79.4 | -168.3 | 70.8 | 0 | 0 | 117.2 | | |
| 803 | M | 30 | Very low | 29.5 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 66% | 0.655 | 72% | 0.721 | S | S | * | * | | | trans | -91.4 | 131.6 | 135.4 | -60.7 | 171.9 | -159.6 | 0 | 0 | 105.6 | N801 F805 | N801-M803 HydrophobicContact CB-CE 4.46Å; N801-M803 HydrophobicContact CB-CG 4.16Å; N801-M803 WeakPolarHBondContact ND2-CE 3.31Å; M803-F805 HydrophobicContact CB-CD2 4.45Å; M803-F805 HydrophobicContact SD-CE2 4.27Å |
| 804 | M | 26.6 | Very low | 29.6 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | | | cis | 67.1 | 59.1 | 9.5 | -121.4 | -114.2 | 68.5 | 0 | 0 | 114.9 | | |
| 805 | F | 30 | Very low | 29.8 | Very low | 185 Ų | 185 | 131.6 Ų | 131.6 | 81% | 0.811 | 72% | 0.724 | S | S | * | * | | | | -111 | 143.5 | 125.3 | -70.4 | -94.3 | 0 | 0 | 0 | 105.9 | M803 | M803-F805 HydrophobicContact CB-CD2 4.45Å; M803-F805 HydrophobicContact SD-CE2 4.27Å |
| 806 | G | 26.6 | Very low | 29.9 | Very low | 65 Ų | 65 | 129.3 Ų | 129.3 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | | | cis | 107.2 | 124.8 | 22.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 807 | A | 28.4 | Very low | 30 | Very low | 83 Ų | 83 | 129.1 Ų | 129.1 | 69% | 0.686 | 73% | 0.729 | S | S | * | * | | | cis | -157.1 | -163.7 | 7.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 808 | N | 30.6 | Very low | 30.4 | Very low | 132 Ų | 132 | 124.3 Ų | 124.3 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | | | trans | 77.4 | 126.3 | 161 | -57.4 | -18.7 | 0 | 0 | 0 | 117 | | |
| 809 | H | 28.6 | Very low | 30.2 | Very low | 150 Ų | 150 | 125.5 Ų | 125.5 | 69% | 0.694 | 73% | 0.734 | S | S | * | * | | | cis | -143.8 | 144.4 | -1.5 | -82.4 | -59.7 | 0 | 0 | 0 | 113.8 | | |
| 810 | L | 29.9 | Very low | 30.4 | Very low | 116 Ų | 116 | 121 Ų | 121 | 61% | 0.607 | 73% | 0.731 | S | S | * | * | | | trans | 9.5 | 135.1 | 152.3 | -60.5 | 81.7 | 0 | 0 | 0 | 120.8 | L812 | L810-L812 HydrophobicContact CB-CD1 4.01Å; L810-L812 HydrophobicContact CD2-CD1 3.77Å; L810-L812 HydrophobicContact CD2-CG 3.93Å |
| 811 | P | 30.5 | Very low | 30.6 | Very low | 131 Ų | 131 | 121.5 Ų | 121.5 | 85% | 0.851 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | | -84.3 | 134.4 | 121.9 | 33.7 | -28.1 | 0 | 0 | 0 | 110.5 | | |
| 812 | L | 32.2 | Very low | 30.5 | Very low | 152 Ų | 152 | 124.8 Ų | 124.8 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 140.9 | 175.9 | -82.7 | 82.7 | 0 | 0 | 0 | 111.7 | L810 | L810-L812 HydrophobicContact CB-CD1 4.01Å; L810-L812 HydrophobicContact CD2-CD1 3.77Å; L810-L812 HydrophobicContact CD2-CG 3.93Å |
| 813 | A | 31.8 | Very low | 30.7 | Very low | 93 Ų | 93 | 121.9 Ų | 121.9 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 147.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 814 | P | 30.2 | Very low | 31 | Very low | 133 Ų | 133 | 121.4 Ų | 121.4 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 127.3 | 170.3 | 33.1 | -30.7 | 0 | 0 | 0 | 111.6 | | |
| 815 | G | 31.1 | Very low | 31.4 | Very low | 65 Ų | 65 | 118.6 Ų | 118.6 | 67% | 0.67 | 74% | 0.738 | S | S | * | * | | | trans | -176.4 | 117 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 816 | T | 34.1 | Very low | 31.3 | Very low | 135 Ų | 135 | 117 Ų | 117 | 83% | 0.828 | 74% | 0.738 | S | S | * | * | | | trans | 42.7 | 95.7 | 160.3 | 50.2 | 0 | 0 | 0 | 0 | 117.8 | | |
| 817 | V | 31.5 | Very low | 31.3 | Very low | 135 Ų | 135 | 118.5 Ų | 118.5 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | | | | 49.9 | 129.9 | 72.9 | -177.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 818 | P | 35.6 | Very low | 31.4 | Very low | 106 Ų | 106 | 118.9 Ų | 118.9 | 69% | 0.688 | 74% | 0.736 | S | S | * | * | | | cis | -134.3 | -175.1 | 18.3 | 33.4 | -11.7 | 0 | 0 | 0 | 117.2 | | |
| 819 | S | 31.3 | Very low | 31.5 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | | | trans | 67.2 | 142.6 | 153.3 | 45.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 820 | S | 31.9 | Very low | 31.4 | Very low | 104 Ų | 104 | 119.3 Ų | 119.3 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | | | cis | -164.8 | 165.4 | -6.1 | 46.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 821 | S | 32.2 | Very low | 31.3 | Very low | 96 Ų | 96 | 123.1 Ų | 123.1 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | | | trans | 72.9 | 114.4 | 168.1 | -55.2 | 0 | 0 | 0 | 0 | 115 | | |
| 822 | Q | 29.5 | Very low | 31.3 | Very low | 180 Ų | 180 | 125.1 Ų | 125.1 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | | | | 66.7 | 132.7 | 77.1 | -70.7 | -176.3 | 2.2 | 0 | 0 | 112.4 | | |
| 823 | T | 33.3 | Very low | 31 | Very low | 109 Ų | 109 | 122.9 Ų | 122.9 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | | | cis | -141.9 | 154.3 | 20.4 | 45.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 824 | T | 35.9 | Very low | 31 | Very low | 123 Ų | 123 | 123.7 Ų | 123.7 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | | | trans | 55.9 | 138.3 | 143.1 | 54.8 | 0 | 0 | 0 | 0 | 121.4 | | |
| 825 | S | 33.7 | Very low | 31 | Very low | 88 Ų | 88 | 121.9 Ų | 121.9 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | | | cis | -173.1 | 145.7 | -9.6 | 47.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 826 | N | 28.3 | Very low | 30.8 | Very low | 153 Ų | 153 | 124.7 Ų | 124.7 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | | | trans | 46.4 | 146.4 | 137.1 | -58.7 | 1.7 | 0 | 0 | 0 | 120.9 | | |
| 827 | S | 26.9 | Very low | 30.5 | Very low | 96 Ų | 96 | 122.1 Ų | 122.1 | 67% | 0.671 | 71% | 0.711 | S | S | * | * | | | cis | 176 | -176.9 | -15.7 | 58.1 | 0 | 0 | 0 | 0 | 106.3 | | |
| 828 | S | 31.2 | Very low | 30.2 | Very low | 91 Ų | 91 | 122.8 Ų | 122.8 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | | | trans | 65.9 | 121.4 | -177 | 77.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 829 | I | 31.8 | Very low | 29.9 | Very low | 168 Ų | 168 | 122.6 Ų | 122.6 | 86% | 0.862 | 71% | 0.707 | S | S | * | * | | | cis | 57.1 | 66.8 | 33.9 | -39.8 | 179 | 0 | 0 | 0 | 111.5 | | |
| 830 | N | 27.3 | Very low | 29.6 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 65% | 0.652 | 70% | 0.703 | S | S | * | * | | | trans | -146.4 | 119.8 | 145.7 | -92.4 | -47.2 | 0 | 0 | 0 | 107.3 | | |
| 831 | R | 26.2 | Very low | 29.5 | Very low | 196 Ų | 196 | 123.8 Ų | 123.8 | 74% | 0.74 | 70% | 0.704 | S | S | * | * | | | | 62.3 | 69.2 | 91.2 | -68.8 | -172.3 | 179.5 | -126.1 | 1.1 | 113 | I833 | R831-I833 HydrophobicContact CB-CD1 3.82Å; R831-I833 HydrophobicContact CB-CG1 4.01Å; R831-I833 HydrophobicContact CG-CD1 4.25Å |
| 832 | L | 32 | Very low | 29.2 | Very low | 173 Ų | 173 | 124.7 Ų | 124.7 | 91% | 0.906 | 70% | 0.7 | S | S | * | * | | | trans | -99.3 | 111.1 | 135.7 | -64.3 | 168.8 | 0 | 0 | 0 | 104.6 | | |
| 833 | I | 25.8 | Very low | 29.1 | Very low | 105 Ų | 105 | 120.9 Ų | 120.9 | 54% | 0.538 | 69% | 0.694 | S | S | . | * | | | cis | 59.1 | 116.9 | 16.7 | -64.3 | -169.1 | 0 | 0 | 0 | 113.5 | R831 | R831-I833 HydrophobicContact CB-CD1 3.82Å; R831-I833 HydrophobicContact CB-CG1 4.01Å; R831-I833 HydrophobicContact CG-CD1 4.25Å |
| 834 | P | 30.6 | Very low | 28.8 | Very low | 111 Ų | 111 | 122.9 Ų | 122.9 | 72% | 0.721 | 70% | 0.695 | S | S | * | * | | | cis | -112.8 | -118.6 | -41.8 | 30.9 | -10 | 0 | 0 | 0 | 104.4 | | |
| 835 | P | 30.4 | Very low | 28.3 | Very low | 94 Ų | 94 | 122.7 Ų | 122.7 | 61% | 0.61 | 69% | 0.689 | S | S | * | * | | | cis | -121.5 | 158.2 | -37.1 | 21 | 1.1 | 0 | 0 | 0 | 114.3 | | |
| 836 | N | 26.9 | Very low | 27.9 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 66% | 0.663 | 69% | 0.693 | S | S | * | * | | | trans | 54.7 | 135.7 | 134 | -54.7 | 23.4 | 0 | 0 | 0 | 118.8 | | |
| 837 | S | 27.8 | Very low | 27.9 | Very low | 82 Ų | 82 | 123.9 Ų | 123.9 | 57% | 0.573 | 69% | 0.688 | S | S | * | * | | | cis | 64.6 | 139.4 | 44.4 | 90.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 838 | E | 25.8 | Very low | 27.9 | Very low | 148 Ų | 148 | 124.1 Ų | 124.1 | 69% | 0.692 | 68% | 0.682 | S | S | * | * | | | trans | 56.4 | 144.7 | -165.1 | -52.7 | 95.9 | -97.8 | 0 | 0 | 114.4 | | |
| 839 | S | 28.6 | Very low | 27.6 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 72% | 0.72 | 68% | 0.682 | S | S | * | * | | | cis | -130.7 | 140.8 | 12.4 | 41 | 0 | 0 | 0 | 0 | 108.8 | | |
| 840 | L | 26 | Very low | 27.4 | Very low | 130 Ų | 130 | 124.2 Ų | 124.2 | 68% | 0.681 | 67% | 0.672 | S | S | * | * | | | | 47.7 | 118.7 | 75.4 | -52.3 | 168.3 | 0 | 0 | 0 | 109.8 | I842 | L840-I842 HydrophobicContact CD2-CD1 3.63Š|
| 841 | S | 28.4 | Very low | 27.4 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 75% | 0.748 | 68% | 0.68 | S | S | * | * | | | cis | -150.5 | 142.5 | 37 | 61.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 842 | I | 26.8 | Very low | 27.4 | Very low | 115 Ų | 115 | 121.7 Ų | 121.7 | 59% | 0.59 | 68% | 0.68 | S | S | * | * | | | | 53.4 | 94.7 | 56.3 | -51.8 | -179.7 | 0 | 0 | 0 | 111.7 | L840 Q844 | L840-I842 HydrophobicContact CD2-CD1 3.63Å; I842-Q844 HydrophobicContact CG2-CG 4.23Å |
| 843 | S | 27.1 | Very low | 27.1 | Very low | 101 Ų | 101 | 119 Ų | 119 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | | | | -153.8 | 115.9 | 128 | -82.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 844 | Q | 26.8 | Very low | 27.3 | Very low | 150 Ų | 150 | 120.9 Ų | 120.9 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | | | | 68.9 | 135.8 | 74.5 | -68.3 | -175.4 | -0.2 | 0 | 0 | 111.4 | I842 | I842-Q844 HydrophobicContact CG2-CG 4.23Š|
| 845 | L | 26.1 | Very low | 27 | Very low | 120 Ų | 120 | 119.6 Ų | 119.6 | 63% | 0.628 | 68% | 0.68 | S | S | * | * | | | cis | -156.5 | -159.9 | -5.1 | -116.1 | 165.3 | 0 | 0 | 0 | 108.8 | | |
| 846 | Q | 25.9 | Very low | 26.8 | Very low | 148 Ų | 148 | 120.7 Ų | 120.7 | 69% | 0.692 | 69% | 0.685 | S | S | * | * | | | trans | -11.1 | 152.3 | 146.6 | -56.1 | 141.6 | -29.6 | 0 | 0 | 115.7 | | |
| 847 | T | 27.2 | Very low | 26.7 | Very low | 118 Ų | 118 | 118.3 Ų | 118.3 | 72% | 0.724 | 68% | 0.682 | S | S | * | * | | | cis | -179.2 | 161.7 | 45.9 | -8.3 | 0 | 0 | 0 | 0 | 105.9 | | |
| 848 | D | 26.5 | Very low | 26.6 | Very low | 101 Ų | 101 | 124.5 Ų | 124.5 | 54% | 0.54 | 69% | 0.694 | S | S | . | * | | | cis | -159 | -174.2 | -2.5 | -148.5 | -7.6 | 0 | 0 | 0 | 111.1 | | |
| 849 | R | 26.4 | Very low | 26.6 | Very low | 167 Ų | 167 | 121.4 Ų | 121.4 | 63% | 0.63 | 69% | 0.694 | S | S | * | * | | | trans | -0.3 | 150.6 | 142.7 | -66.8 | 163.7 | -178.3 | 119.7 | -6 | 118.3 | | |
| 850 | S | 27.4 | Very low | 26.4 | Very low | 93 Ų | 93 | 123.9 Ų | 123.9 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | | | cis | -159.5 | 158.4 | 32.3 | -29.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 851 | Q | 26.9 | Very low | 26.4 | Very low | 177 Ų | 177 | 129 Ų | 129 | 83% | 0.827 | 71% | 0.71 | S | S | * | * | | | | 27.9 | 138.4 | 122.7 | -48.1 | 167 | 13.6 | 0 | 0 | 117.2 | | |
| 852 | A | 26 | Very low | 26.2 | Very low | 89 Ų | 89 | 132.5 Ų | 132.5 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | | | cis | -177.9 | 170.5 | 35.9 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 853 | V | 26.6 | Very low | 26.3 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 70% | 0.703 | 73% | 0.726 | S | S | * | * | | | cis | -161.7 | 138.5 | -10 | 106.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 854 | L | 28.6 | Very low | 26.3 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | | | trans | 54.3 | 141.2 | 166.6 | -79.4 | 68.6 | 0 | 0 | 0 | 116.8 | | |
| 855 | A | 25.5 | Very low | 26.3 | Very low | 85 Ų | 85 | 134.6 Ų | 134.6 | 70% | 0.702 | 73% | 0.731 | S | S | * | * | | | | 55 | 144.9 | 58.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 856 | T | 25.5 | Very low | 26.5 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | | | cis | -154.7 | 134.1 | 26.8 | 14 | 0 | 0 | 0 | 0 | 105.4 | | |
| 857 | A | 24.7 | Very low | 26.5 | Very low | 73 Ų | 73 | 134.3 Ų | 134.3 | 60% | 0.603 | 74% | 0.744 | S | S | * | * | | | | 73.9 | 158.2 | 93.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 858 | Y | 25.5 | Very low | 26.6 | Very low | 212 Ų | 212 | 134.1 Ų | 134.1 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | | | trans | 67.5 | 122.5 | -173.6 | -49.1 | -78 | 0 | 0 | 0 | 113.2 | | |
| 859 | A | 25.2 | Very low | 26.7 | Very low | 84 Ų | 84 | 135.8 Ų | 135.8 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | | | cis | 68.6 | 130.2 | 43.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 860 | D | 24.5 | Very low | 26.7 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | | | trans | 35.2 | 99.4 | 165.3 | -57.1 | -22.1 | 0 | 0 | 0 | 118.8 | | |
| 861 | R | 26.7 | Very low | 26.9 | Very low | 238 Ų | 238 | 134.4 Ų | 134.4 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | | | | -159.2 | 124.3 | 124 | -108.8 | 152.8 | -168.2 | -177.1 | 3.6 | 114 | | |
| 862 | E | 25 | Very low | 26.9 | Very low | 180 Ų | 180 | 135.1 Ų | 135.1 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | | | trans | -63.8 | 140.2 | 147.4 | -55.7 | -177.7 | 126.2 | 0 | 0 | 109 | | |
| 863 | F | 27.9 | Very low | 27.1 | Very low | 192 Ų | 192 | 138.4 Ų | 138.4 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | | | trans | 175.5 | 109.7 | 147.5 | -97.7 | -70 | 0 | 0 | 0 | 105 | | |
| 864 | A | 26.7 | Very low | 27 | Very low | 82 Ų | 82 | 141.2 Ų | 141.2 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | | | | 33.4 | 112.7 | 94.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 865 | T | 28.5 | Very low | 27.2 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | | | | -165.8 | 166.5 | 76.5 | 39.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 866 | S | 29.5 | Very low | 27.4 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | cis | -165.6 | 165.7 | -5.3 | 37.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 867 | N | 25.9 | Very low | 27.7 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | | | trans | -62.8 | 144.3 | 171 | -59.2 | -70.2 | 0 | 0 | 0 | 112.5 | | |
| 868 | S | 28.5 | Very low | 27.9 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | -148.7 | 100.8 | 152.8 | -169.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 869 | T | 29 | Very low | 28.1 | Very low | 136 Ų | 136 | 139 Ų | 139 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | trans | -91.9 | 93.9 | 170.5 | 46.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 870 | L | 27.5 | Very low | 28.5 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | | | trans | -156.6 | 145.1 | 165.3 | -133.5 | 68.9 | 0 | 0 | 0 | 108.5 | | |
| 871 | G | 31.6 | Very low | 28.6 | Very low | 66 Ų | 66 | 143.2 Ų | 143.2 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | | | cis | -161.7 | 178.2 | -3.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L873 | G871-L873 PolarHBondContact O-N 3.44Š|
| 872 | K | 26.4 | Very low | 29 | Very low | 193 Ų | 193 | 140 Ų | 140 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -74.3 | 121.8 | 174.2 | -58.9 | 161.1 | -173.6 | 160.6 | 0 | 109 | | |
| 873 | L | 29 | Very low | 29.2 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | | | trans | -121 | 108.9 | 156.2 | -77.2 | 177.7 | 0 | 0 | 0 | 110 | G871 | G871-L873 PolarHBondContact O-N 3.44Š|
| 874 | K | 26.2 | Very low | 29.4 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | | | trans | -99.9 | 117.4 | 161.7 | 174.3 | -171.5 | 174.1 | -173.8 | 0 | 105.9 | S876 | K874-S876 PolarHBondContact O-OG 2.67Š|
| 875 | L | 32.7 | Very low | 29.6 | Very low | 143 Ų | 143 | 134 Ų | 134 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | | | trans | -132.9 | 122.4 | 168.2 | -59.7 | 172.1 | 0 | 0 | 0 | 104.2 | | |
| 876 | S | 29 | Very low | 29.6 | Very low | 85 Ų | 85 | 132.5 Ų | 132.5 | 59% | 0.594 | 78% | 0.78 | S | S | * | * | | | cis | 70.6 | 81.5 | 6.5 | 82.6 | 0 | 0 | 0 | 0 | 117.8 | K874 | K874-S876 PolarHBondContact O-OG 2.67Š|
| 877 | S | 31.9 | Very low | 29.7 | Very low | 102 Ų | 102 | 132 Ų | 132 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | -141.7 | 120.6 | 150.9 | 48.4 | 0 | 0 | 0 | 0 | 106.4 | | |
| 878 | Q | 29.7 | Very low | 30.1 | Very low | 184 Ų | 184 | 134.3 Ų | 134.3 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | | | | 56.1 | 125.1 | 97.4 | -93.8 | 80.3 | -13.8 | 0 | 0 | 113.4 | | |
| 879 | G | 29.3 | Very low | 30.2 | Very low | 72 Ų | 72 | 134.9 Ų | 134.9 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | | | cis | -144.2 | -159.7 | -4.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 880 | I | 32.7 | Very low | 30.4 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | | | cis | -140.6 | 169.1 | 13 | -71.3 | 174.3 | 0 | 0 | 0 | 109.4 | | |
| 881 | M | 28 | Very low | 30.7 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | | | trans | -46.7 | 162.3 | 169.5 | -61.7 | 169.4 | -70.3 | 0 | 0 | 113.3 | | |
| 882 | I | 34.1 | Very low | 30.5 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | | | | -140.5 | 163.3 | 51 | -72.9 | 169.7 | 0 | 0 | 0 | 112.9 | | |
| 883 | N | 29.3 | Very low | 30.8 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | | | trans | -105.9 | 175.2 | -164.8 | -165.4 | 15.4 | 0 | 0 | 0 | 113.3 | | |
| 884 | S | 31.6 | Very low | 30.8 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | | | trans | 78.4 | 138.8 | -174.9 | -29.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 885 | G | 31.1 | Very low | 31.3 | Very low | 76 Ų | 76 | 128.7 Ų | 128.7 | 78% | 0.784 | 74% | 0.742 | S | S | * | * | | | cis | 113.3 | 141.7 | 22.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 886 | S | 29.8 | Very low | 31.1 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | | | cis | -156.3 | 179.4 | 2.8 | -170.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 887 | D | 31.2 | Very low | 31.1 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 54% | 0.535 | 75% | 0.747 | S | S | . | * | | | trans | 59.6 | 122 | 151.8 | -74.8 | -77.2 | 0 | 0 | 0 | 121.4 | | |
| 888 | R | 32.8 | Very low | 30.8 | Very low | 200 Ų | 200 | 131.5 Ų | 131.5 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | | | trans | 71.5 | 162.2 | 135.5 | -61.9 | 171.4 | -146.5 | 174.5 | 15.4 | 117.6 | | |
| 889 | N | 31.7 | Very low | 30.7 | Very low | 126 Ų | 126 | 128 Ų | 128 | 67% | 0.674 | 74% | 0.741 | S | S | * | * | | | cis | -163.9 | 174.4 | -28.8 | -102.7 | -2.9 | 0 | 0 | 0 | 107 | | |
| 890 | N | 33.8 | Very low | 30.6 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 68% | 0.684 | 74% | 0.743 | S | S | * | * | | | trans | 72 | 120 | 158.4 | -58.7 | -20.6 | 0 | 0 | 0 | 115.7 | | |
| 891 | N | 32.8 | Very low | 30.4 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | | | | 75.4 | 108.1 | 102 | -58.6 | -13.6 | 0 | 0 | 0 | 112.4 | | |
| 892 | S | 27.1 | Very low | 30.6 | Very low | 106 Ų | 106 | 129 Ų | 129 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | | | | 67.9 | 106.7 | 79.1 | -174.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 893 | I | 32.8 | Very low | 30.6 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 84% | 0.841 | 73% | 0.732 | S | S | * | * | | | trans | -170.1 | 157.6 | 133.2 | -96.2 | 152.5 | 0 | 0 | 0 | 107.7 | | |
| 894 | V | 29 | Very low | 30.5 | Very low | 123 Ų | 123 | 123.3 Ų | 123.3 | 75% | 0.745 | 73% | 0.726 | S | S | * | * | | | trans | -107.7 | -151.6 | -170.3 | -156.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 895 | P | 37.3 | Very low | 30.4 | Very low | 101 Ų | 101 | 123.7 Ų | 123.7 | 66% | 0.656 | 72% | 0.723 | S | S | * | * | | | | -97.9 | -150.5 | -126.5 | 43.8 | -31.3 | 0 | 0 | 0 | 113.7 | | |
| 896 | N | 29.2 | Very low | 30.5 | Very low | 151 Ų | 151 | 125.9 Ų | 125.9 | 81% | 0.807 | 72% | 0.722 | S | S | * | * | | | trans | 87.6 | 149.1 | -175.2 | -54.3 | -36.5 | 0 | 0 | 0 | 113 | | |
| 897 | S | 27.8 | Very low | 30.6 | Very low | 90 Ų | 90 | 126.7 Ų | 126.7 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | | | cis | -175.2 | 168.1 | -19.9 | 53.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 898 | L | 27 | Very low | 31.2 | Very low | 147 Ų | 147 | 130.2 Ų | 130.2 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | | | trans | 68.2 | 122.7 | 163 | -66.1 | 162.1 | 0 | 0 | 0 | 114 | | |
| 899 | V | 27.2 | Very low | 31.1 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 67% | 0.673 | 73% | 0.729 | S | S | * | * | | | | 65.3 | 117.7 | 80.1 | 171.6 | 0 | 0 | 0 | 0 | 112 | | |
| 900 | N | 26.2 | Very low | 30.9 | Very low | 147 Ų | 147 | 124.8 Ų | 124.8 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | | | trans | 66.5 | 157 | 178 | -56.7 | -18.8 | 0 | 0 | 0 | 113.9 | | |
| 901 | S | 28.3 | Very low | 30.6 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | cis | -151.4 | 161.3 | -3.6 | 15 | 0 | 0 | 0 | 0 | 109.7 | P903 | S901-P903 VanDerWaalsContact O-CD 3.29Å; S901-P903 WeakPolarHBondContact O-CD 2.95Å |
| 902 | L | 32.5 | Very low | 30.4 | Very low | 168 Ų | 168 | 123.2 Ų | 123.2 | 88% | 0.88 | 72% | 0.724 | S | S | * | * | | | trans | -67.2 | 135.9 | 161.2 | -143.1 | 77.8 | 0 | 0 | 0 | 109.9 | | |
| 903 | P | 33.5 | Very low | 30.3 | Very low | 105 Ų | 105 | 125 Ų | 125 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | | | trans | -127.1 | 119.2 | 140.8 | 38 | -29 | 0 | 0 | 0 | 108.9 | S901 | S901-P903 VanDerWaalsContact O-CD 3.29Å; S901-P903 WeakPolarHBondContact O-CD 2.95Å |
| 904 | S | 28.8 | Very low | 30 | Very low | 90 Ų | 90 | 121.5 Ų | 121.5 | 63% | 0.629 | 72% | 0.716 | S | S | * | * | | | | 83.4 | 136.7 | 93.6 | 78.6 | 0 | 0 | 0 | 0 | 113 | | |
| 905 | T | 29 | Very low | 29.8 | Very low | 118 Ų | 118 | 122.4 Ų | 122.4 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | | | cis | -170.2 | 141.7 | -3.8 | 11.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 906 | T | 33.9 | Very low | 29.2 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | | | | 177.1 | 122.1 | 115.1 | 26.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 907 | N | 30.3 | Very low | 29.1 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | | | trans | 37.3 | 88.7 | 135.7 | -51.9 | -13.6 | 0 | 0 | 0 | 119.1 | | |
| 908 | I | 45.1 | Very low | 29.1 | Very low | 175 Ų | 175 | 128.8 Ų | 128.8 | 90% | 0.897 | 72% | 0.724 | S | S | * | * | | | | -120.9 | 97.5 | 110 | -69.6 | 92.1 | 0 | 0 | 0 | 108 | | |
| 909 | N | 30.6 | Very low | 29.3 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | | | trans | -66.1 | 156.8 | 161.7 | -84.8 | 3.8 | 0 | 0 | 0 | 109.4 | | |
| 910 | C | 27.2 | Very low | 29.6 | Very low | 92 Ų | 92 | 129.4 Ų | 129.4 | 62% | 0.622 | 73% | 0.731 | S | S | * | * | | | cis | -171.2 | -178.6 | 0.3 | -125.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 911 | L | 28.1 | Very low | 29.9 | Very low | 148 Ų | 148 | 127.8 Ų | 127.8 | 78% | 0.775 | 72% | 0.722 | S | S | * | * | | | trans | 60.5 | 111.5 | 141.8 | -71.2 | 161.6 | 0 | 0 | 0 | 119.4 | | |
| 912 | S | 26.9 | Very low | 30.1 | Very low | 87 Ų | 87 | 130.4 Ų | 130.4 | 61% | 0.608 | 72% | 0.721 | S | S | * | * | | | | 79.1 | 162.8 | 119.5 | -59.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 913 | D | 26.5 | Very low | 29.9 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 77% | 0.765 | 71% | 0.71 | S | S | * | * | | | trans | 63.5 | 112.1 | 163.6 | -55.6 | -40.6 | 0 | 0 | 0 | 115.5 | | |
| 914 | S | 25 | Very low | 29.6 | Very low | 92 Ų | 92 | 129.8 Ų | 129.8 | 64% | 0.643 | 71% | 0.711 | S | S | * | * | | | | 68.2 | 125 | 85.9 | 116.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 915 | N | 24.7 | Very low | 30 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | | | | 38 | 140.9 | 129.9 | -60 | -38.8 | 0 | 0 | 0 | 120.5 | | |
| 916 | N | 26 | Very low | 29.9 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 68% | 0.679 | 72% | 0.716 | S | S | * | * | | | trans | 83.4 | 144.7 | 146 | -108.3 | -41.6 | 0 | 0 | 0 | 118.1 | | |
| 917 | R | 26.3 | Very low | 29.9 | Very low | 198 Ų | 198 | 131.5 Ų | 131.5 | 75% | 0.747 | 72% | 0.716 | S | S | * | * | | | trans | 66.7 | 117.3 | 148.9 | -65.5 | 161.4 | -163.8 | -177.1 | 0.8 | 116.3 | | |
| 918 | N | 27.9 | Very low | 29.9 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | | | cis | -156.7 | 146.5 | 16.4 | -72.1 | -54.8 | 0 | 0 | 0 | 111.4 | | |
| 919 | A | 31.1 | Very low | 28.8 | Very low | 92 Ų | 92 | 129.1 Ų | 129.1 | 76% | 0.76 | 71% | 0.709 | S | S | * | * | S | Bend | | 177.8 | 93.1 | 116.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 920 | Q | 34.2 | Very low | 28.7 | Very low | 179 Ų | 179 | 129.5 Ų | 129.5 | 84% | 0.836 | 71% | 0.709 | S | S | * | * | | | trans | 64.8 | 136.3 | 167.8 | -58 | -164.8 | 20.3 | 0 | 0 | 118.1 | | |
| 921 | N | 31.5 | Very low | 28.9 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 60% | 0.604 | 71% | 0.709 | S | S | * | * | | | cis | -158.6 | 158.6 | -22.4 | -125.8 | -15.5 | 0 | 0 | 0 | 111.3 | | |
| 922 | F | 32.4 | Very low | 29.1 | Very low | 159 Ų | 159 | 133.7 Ų | 133.7 | 70% | 0.697 | 71% | 0.707 | S | S | * | * | | | trans | 47.7 | 105.7 | 160.1 | -66.6 | -61.7 | 0 | 0 | 0 | 117.7 | | |
| 923 | N | 29.6 | Very low | 29.5 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 66% | 0.658 | 71% | 0.712 | S | S | * | * | | | | 75 | 112.2 | 87.8 | -83.9 | 14.1 | 0 | 0 | 0 | 112.1 | | |
| 924 | I | 27.4 | Very low | 29.8 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 70% | 0.703 | 71% | 0.707 | S | S | * | * | | | | 77.6 | 128.2 | 94.2 | -75 | 171.9 | 0 | 0 | 0 | 110.6 | | |
| 925 | P | 37.4 | Very low | 30.1 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | | | trans | -66.8 | 152.9 | -166.7 | 28.4 | -37.8 | 0 | 0 | 0 | 112.2 | | |
| 926 | P | 26.5 | Very low | 30.5 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 69% | 0.688 | 71% | 0.707 | S | S | * | * | | | | -120.6 | 143.6 | 124.9 | 34.3 | -30.5 | 0 | 0 | 0 | 111.5 | P928 | P926-P928 WeakPolarHBondContact O-CD 3.32Š|
| 927 | N | 33.8 | Very low | 30.7 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | | | trans | -63 | 114 | 135.4 | -103.6 | -53.6 | 0 | 0 | 0 | 106.8 | M929 | N927-M929 VanDerWaalsContact C-N 3.35Š|
| 928 | P | 29.6 | Very low | 30.8 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 67% | 0.669 | 71% | 0.705 | S | S | * | * | | | | -66.9 | 104.4 | 123.7 | 31.6 | -25.8 | 0 | 0 | 0 | 105.1 | P926 | P926-P928 WeakPolarHBondContact O-CD 3.32Š|
| 929 | M | 22.8 | Very low | 31 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 70% | 0.7 | 71% | 0.705 | S | S | * | * | | | | 37.3 | 108.4 | 66.8 | -60.4 | 178.9 | 54.8 | 0 | 0 | 108.8 | N927 | N927-M929 VanDerWaalsContact C-N 3.35Š|
| 930 | I | 27.8 | Very low | 31 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 65% | 0.646 | 70% | 0.698 | S | S | * | * | | | | -164 | 154.9 | 52.4 | -126.1 | 147.3 | 0 | 0 | 0 | 111.3 | | |
| 931 | Q | 32 | Very low | 30.7 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 63% | 0.631 | 70% | 0.696 | S | S | * | * | | | trans | 63.5 | 106.3 | 162.7 | -73 | 162.5 | 2 | 0 | 0 | 116.4 | | |
| 932 | R | 32.3 | Very low | 30.5 | Very low | 194 Ų | 194 | 136.1 Ų | 136.1 | 73% | 0.732 | 70% | 0.701 | S | S | * | * | | | | 78.8 | 107.2 | 75 | -81.1 | -173.2 | -152.1 | 152 | -1.4 | 111.6 | | |
| 933 | H | 34 | Very low | 30.2 | Very low | 153 Ų | 153 | 133 Ų | 133 | 71% | 0.708 | 70% | 0.7 | S | S | * | * | | | trans | 71.9 | 167.6 | 134.2 | -58.6 | -59.3 | 0 | 0 | 0 | 119.6 | | |
| 934 | H | 32.8 | Very low | 30 | Very low | 142 Ų | 142 | 132.3 Ų | 132.3 | 66% | 0.657 | 70% | 0.704 | S | S | * | * | | | trans | 46.1 | 105.9 | 139.5 | -69.8 | -50.3 | 0 | 0 | 0 | 118.5 | | |
| 935 | H | 32.8 | Very low | 29.9 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 68% | 0.676 | 71% | 0.711 | S | S | * | * | | | | 73.4 | 128.9 | 127.8 | -61.8 | -50.6 | 0 | 0 | 0 | 119.5 | | |
| 936 | H | 32.3 | Very low | 29.4 | Very low | 156 Ų | 156 | 131 Ų | 131 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | | | trans | 68.2 | 133.5 | 131.6 | -85.4 | -76.2 | 0 | 0 | 0 | 121.3 | | |
| 937 | L | 29.5 | Very low | 29.4 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | | | trans | 73.4 | 153.4 | 152.8 | -52.1 | 154.6 | 0 | 0 | 0 | 115.1 | | |
| 938 | N | 28.8 | Very low | 29 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 66% | 0.658 | 72% | 0.715 | S | S | * | * | | | cis | -158.7 | 143.7 | -14 | -121.7 | -3.7 | 0 | 0 | 0 | 111.7 | | |
| 939 | S | 32.1 | Very low | 28.9 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | | | trans | 155.7 | 86.4 | 149.3 | 41.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 940 | M | 30.6 | Very low | 29.4 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 61% | 0.606 | 72% | 0.721 | S | S | * | * | | | | 63.6 | 143.1 | 79.6 | -78.4 | -169.6 | 57.9 | 0 | 0 | 115.2 | Q942 | M940-Q942 VanDerWaalsContact CE-CD 3.47Å; M940-Q942 HydrophobicContact CE-CG 3.88Å; M940-Q942 HydrophobicContact SD-CG 4.34Å |
| 941 | P | 29 | Very low | 29.5 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | | | cis | -90.2 | 141.4 | 19.8 | 33.7 | -35.5 | 0 | 0 | 0 | 117.5 | | |
| 942 | Q | 27.9 | Very low | 29.3 | Very low | 151 Ų | 151 | 131.5 Ų | 131.5 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | | | trans | -13.7 | 114.8 | 162.7 | -77.7 | 150.3 | -34.8 | 0 | 0 | 119.6 | M940 | M940-Q942 VanDerWaalsContact CE-CD 3.47Å; M940-Q942 HydrophobicContact CE-CG 3.88Å; M940-Q942 HydrophobicContact SD-CG 4.34Å |
| 943 | S | 25.2 | Very low | 29.2 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | | | | -33.7 | 150.9 | 126.6 | 55.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 944 | S | 25 | Very low | 28.9 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | | | trans | 68 | 126 | 148.2 | -54.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 945 | I | 26.7 | Very low | 29 | Very low | 164 Ų | 164 | 127 Ų | 127 | 84% | 0.841 | 72% | 0.72 | S | S | * | * | | | | -160.6 | 117.7 | 106.3 | -93.7 | 150.2 | 0 | 0 | 0 | 109.2 | | |
| 946 | G | 24.8 | Very low | 28.9 | Very low | 65 Ų | 65 | 124 Ų | 124 | 67% | 0.67 | 72% | 0.716 | S | S | * | * | | | trans | -122.3 | 153.8 | 150.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 947 | T | 26.8 | Very low | 28.9 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | | | trans | 62.4 | 130.5 | -157.3 | 65.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 948 | L | 25.6 | Very low | 29 | Very low | 169 Ų | 169 | 123.2 Ų | 123.2 | 89% | 0.885 | 72% | 0.716 | S | S | * | * | | | cis | -135.9 | 165.6 | 49.1 | -79.8 | 157.2 | 0 | 0 | 0 | 115.6 | | |
| 949 | E | 27.8 | Very low | 29.2 | Very low | 176 Ų | 176 | 121.3 Ų | 121.3 | 82% | 0.822 | 71% | 0.712 | S | S | * | * | | | trans | -57.6 | 177.5 | 162.3 | -109.3 | -168.2 | -173.2 | 0 | 0 | 114.3 | | |
| 950 | P | 32.5 | Very low | 29.2 | Very low | 101 Ų | 101 | 123 Ų | 123 | 66% | 0.656 | 71% | 0.713 | S | S | * | * | | | cis | -134.3 | -131.2 | -16.7 | 38.5 | -17.4 | 0 | 0 | 0 | 108.7 | | |
| 951 | P | 30.8 | Very low | 29.2 | Very low | 100 Ų | 100 | 121.1 Ų | 121.1 | 65% | 0.649 | 71% | 0.711 | S | S | * | * | | | cis | -121.5 | -178 | -43.5 | 34.2 | -16.2 | 0 | 0 | 0 | 112.9 | | |
| 952 | S | 28.8 | Very low | 29.3 | Very low | 94 Ų | 94 | 122.6 Ų | 122.6 | 66% | 0.657 | 71% | 0.711 | S | S | * | * | | | trans | 37.1 | 144.2 | 133.9 | 74.1 | 0 | 0 | 0 | 0 | 122.6 | | |
| 953 | T | 28.8 | Very low | 29.4 | Very low | 112 Ų | 112 | 120.1 Ų | 120.1 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | | | cis | -177.5 | 154.5 | -1 | 22.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 954 | L | 29.2 | Very low | 29.7 | Very low | 128 Ų | 128 | 119.9 Ų | 119.9 | 67% | 0.67 | 71% | 0.708 | S | S | * | * | | | trans | 60.3 | 141.8 | 136.5 | -65 | 169.7 | 0 | 0 | 0 | 123.9 | | |
| 955 | H | 33.2 | Very low | 30 | Very low | 153 Ų | 153 | 121 Ų | 121 | 71% | 0.708 | 71% | 0.706 | S | S | * | * | | | trans | 72.9 | 150.4 | 138.6 | -70.7 | -27.1 | 0 | 0 | 0 | 120.9 | | |
| 956 | S | 30.8 | Very low | 30.2 | Very low | 83 Ų | 83 | 120.4 Ų | 120.4 | 58% | 0.58 | 70% | 0.704 | S | S | * | * | | | cis | -174 | 174 | -23.7 | 65 | 0 | 0 | 0 | 0 | 111.2 | | |
| 957 | S | 32 | Very low | 30.4 | Very low | 92 Ų | 92 | 121.5 Ų | 121.5 | 64% | 0.643 | 70% | 0.701 | S | S | * | * | | | trans | 72.3 | 150.4 | 149.9 | -59.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 958 | K | 31.8 | Very low | 30.5 | Very low | 189 Ų | 189 | 121.1 Ų | 121.1 | 82% | 0.822 | 70% | 0.702 | S | S | * | * | | | cis | 174.3 | 166.4 | -3.5 | -105.1 | 173.5 | -177.7 | 173.2 | 0 | 103 | | |
| 959 | S | 32.8 | Very low | 30.5 | Very low | 82 Ų | 82 | 117.8 Ų | 117.8 | 57% | 0.573 | 69% | 0.693 | S | S | * | * | | | cis | -175.1 | 165.8 | 0.2 | 41 | 0 | 0 | 0 | 0 | 110 | | |
| 960 | N | 32.3 | Very low | 30.7 | Very low | 151 Ų | 151 | 117 Ų | 117 | 81% | 0.807 | 69% | 0.694 | S | S | * | * | | | trans | 73.6 | 151.1 | 147.9 | -70.5 | 2.7 | 0 | 0 | 0 | 118.7 | | |
| 961 | S | 31.1 | Very low | 30.4 | Very low | 83 Ų | 83 | 117.1 Ų | 117.1 | 58% | 0.58 | 70% | 0.697 | S | S | * | * | | | cis | -179.4 | 169.3 | -15 | 52.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 962 | I | 30.4 | Very low | 30.4 | Very low | 157 Ų | 157 | 116.9 Ų | 116.9 | 81% | 0.805 | 70% | 0.698 | S | S | * | * | | | trans | 71.8 | 144.6 | 152 | -77.1 | 161.2 | 0 | 0 | 0 | 114.8 | | |
| 963 | S | 31.2 | Very low | 30.4 | Very low | 99 Ų | 99 | 119.2 Ų | 119.2 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | | | cis | -173.9 | 170.9 | -11.9 | 65.7 | 0 | 0 | 0 | 0 | 108 | | |
| 964 | S | 31.7 | Very low | 30.3 | Very low | 89 Ų | 89 | 118.2 Ų | 118.2 | 62% | 0.622 | 70% | 0.701 | S | S | * | * | | | cis | -175.2 | -171.2 | -21.3 | 52.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 965 | N | 30.3 | Very low | 30.2 | Very low | 130 Ų | 130 | 117.8 Ų | 117.8 | 70% | 0.695 | 70% | 0.703 | S | S | * | * | | | trans | 82.6 | 120.8 | 148.3 | -77.1 | -2.8 | 0 | 0 | 0 | 123.7 | | |
| 966 | L | 32 | Very low | 30 | Very low | 153 Ų | 153 | 118.1 Ų | 118.1 | 80% | 0.801 | 71% | 0.707 | S | S | * | * | | | trans | 71.9 | 146.6 | 137.2 | -58.3 | 170 | 0 | 0 | 0 | 119.8 | | |
| 967 | S | 28 | Very low | 29.9 | Very low | 88 Ų | 88 | 119.9 Ų | 119.9 | 62% | 0.615 | 71% | 0.71 | S | S | * | * | | | cis | -173.9 | 158.6 | -18.3 | 53.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 968 | C | 28.7 | Very low | 29.7 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | | | trans | 75.1 | 155.2 | 151.8 | -70.1 | 0 | 0 | 0 | 0 | 120.5 | | |
| 969 | S | 27.2 | Very low | 29.4 | Very low | 100 Ų | 100 | 121.3 Ų | 121.3 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | | | cis | -178.5 | 164 | -29.3 | -99.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 970 | L | 30.7 | Very low | 29.2 | Very low | 159 Ų | 159 | 124.6 Ų | 124.6 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | | | trans | 68.6 | 126.5 | 168.7 | -58.9 | 166.5 | 0 | 0 | 0 | 116.1 | | |
| 971 | S | 27.1 | Very low | 29 | Very low | 104 Ų | 104 | 122.3 Ų | 122.3 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | | | cis | 88.6 | 118.5 | 30.6 | -58.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 972 | S | 30 | Very low | 28.9 | Very low | 95 Ų | 95 | 123.2 Ų | 123.2 | 66% | 0.664 | 72% | 0.724 | S | S | * | * | | | | 161.2 | 129.2 | 110.5 | -98.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 973 | D | 29.4 | Very low | 28.8 | Very low | 142 Ų | 142 | 125 Ų | 125 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | | | | 54.7 | 158.1 | 127.3 | -50.5 | -43.8 | 0 | 0 | 0 | 122.5 | | |
| 974 | S | 26.5 | Very low | 29.3 | Very low | 92 Ų | 92 | 124.9 Ų | 124.9 | 64% | 0.643 | 72% | 0.723 | S | S | * | * | | | cis | -169.9 | 141.3 | -35 | 64.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 975 | V | 27.2 | Very low | 29.4 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 72% | 0.715 | 73% | 0.728 | S | S | * | * | | | trans | 61.6 | 149.5 | 134 | 171 | 0 | 0 | 0 | 0 | 120.7 | | |
| 976 | M | 29.6 | Very low | 29.5 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 79% | 0.793 | 73% | 0.73 | S | S | * | * | | | trans | 72.2 | 151.9 | 164.2 | -88.2 | -171 | -62.1 | 0 | 0 | 118.3 | | |
| 977 | N | 27.4 | Very low | 29.6 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 64% | 0.642 | 72% | 0.723 | S | S | * | * | | | cis | -152.2 | 171.6 | -21.9 | -144.4 | -17.4 | 0 | 0 | 0 | 111.6 | | |
| 978 | K | 28.1 | Very low | 29.9 | Very low | 172 Ų | 172 | 132 Ų | 132 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | | | trans | -44.3 | 165.2 | 175.8 | -57.1 | 150.6 | -173.4 | 177.3 | 0 | 117.3 | | |
| 979 | N | 26.5 | Very low | 30 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | | | | 109.1 | 146.1 | 126.4 | -98.8 | 11.4 | 0 | 0 | 0 | 120.8 | | |
| 980 | L | 28.5 | Very low | 30.2 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | | | trans | 77.6 | 139.4 | 152.9 | -69.4 | 157.5 | 0 | 0 | 0 | 120.1 | | |
| 981 | S | 27.1 | Very low | 30.2 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | | | trans | 43.4 | 146.8 | 139.8 | 63.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 982 | S | 29.2 | Very low | 30.5 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | | | cis | 179.9 | 174 | -7.6 | 49.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 983 | F | 28.6 | Very low | 30.8 | Very low | 193 Ų | 193 | 135.2 Ų | 135.2 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | | | trans | -18.7 | 167 | 150.8 | -74.1 | -69.7 | 0 | 0 | 0 | 119.6 | | |
| 984 | P | 40.9 | Very low | 31 | Very low | 98 Ų | 98 | 136 Ų | 136 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | | | cis | -138.3 | -153.3 | -8.2 | 28.5 | -3.3 | 0 | 0 | 0 | 113.9 | | |
| 985 | L | 35.4 | Very low | 31.4 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | | | trans | 104.9 | 142.4 | 151.8 | -57.7 | 171.3 | 0 | 0 | 0 | 117.4 | | |
| 986 | K | 31.4 | Very low | 31.6 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 73% | 0.726 | 73% | 0.727 | S | S | * | * | | | cis | -174.2 | 161 | -27.9 | -142.6 | -172.3 | -154.5 | 174.9 | 0 | 110 | | |
| 987 | L | 34.1 | Very low | 31.5 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 65% | 0.654 | 73% | 0.725 | S | S | * | * | | | trans | 67.9 | 156.5 | 160.6 | -53.9 | 167.6 | 0 | 0 | 0 | 116.9 | | |
| 988 | F | 33.9 | Very low | 31.6 | Very low | 176 Ų | 176 | 132.6 Ų | 132.6 | 77% | 0.772 | 73% | 0.73 | S | S | * | * | | | cis | -123.7 | 141.6 | -25.7 | -83.1 | -79.8 | 0 | 0 | 0 | 105.5 | | |
| 989 | N | 30.5 | Very low | 31.6 | Very low | 152 Ų | 152 | 129.3 Ų | 129.3 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | | | | 83.6 | 111.9 | 50.4 | -150.5 | 92.2 | 0 | 0 | 0 | 114.3 | | |
| 990 | G | 32.5 | Very low | 31.6 | Very low | 66 Ų | 66 | 127.4 Ų | 127.4 | 68% | 0.68 | 73% | 0.727 | S | S | * | * | | | trans | 105.6 | 147.6 | 164 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 991 | D | 29.8 | Very low | 31.5 | Very low | 139 Ų | 139 | 125.1 Ų | 125.1 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | | | cis | -164.4 | 165.9 | -21.4 | -136.1 | -28.2 | 0 | 0 | 0 | 113.6 | | |
| 992 | L | 33.4 | Very low | 31.6 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 67% | 0.67 | 72% | 0.722 | S | S | * | * | | | trans | 62.8 | 151.3 | 150.3 | -74.5 | 162 | 0 | 0 | 0 | 122.7 | | |
| 993 | H | 36.7 | Very low | 31.4 | Very low | 155 Ų | 155 | 124.6 Ų | 124.6 | 72% | 0.718 | 72% | 0.72 | S | S | * | * | | | trans | 69.2 | 70.7 | 159.6 | -59.3 | -47.2 | 0 | 0 | 0 | 120.7 | | |
| 994 | N | 33.8 | Very low | 31.4 | Very low | 157 Ų | 157 | 123.1 Ų | 123.1 | 84% | 0.84 | 72% | 0.72 | S | S | * | * | | | | -73 | 139.7 | 123.1 | -161.5 | 0.3 | 0 | 0 | 0 | 108.1 | | |
| 995 | P | 35.1 | Very low | 30.8 | Very low | 91 Ų | 91 | 122.3 Ų | 122.3 | 59% | 0.591 | 72% | 0.716 | S | S | * | * | | | | -152.8 | 162.6 | 121.1 | 39.1 | -23.3 | 0 | 0 | 0 | 116.5 | | |
| 996 | V | 31.4 | Very low | 30.7 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 70% | 0.697 | 72% | 0.717 | S | S | * | * | | | trans | 58.7 | 106.6 | 145.1 | 169.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 997 | S | 27.5 | Very low | 30.7 | Very low | 107 Ų | 107 | 120.6 Ų | 120.6 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | | | | 71.6 | 155.9 | 59 | -56.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 998 | S | 29.3 | Very low | 30.7 | Very low | 107 Ų | 107 | 120.5 Ų | 120.5 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | | | trans | 73.1 | 148.9 | 171.5 | 81.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 999 | S | 27.5 | Very low | 30.8 | Very low | 104 Ų | 104 | 116.7 Ų | 116.7 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | | | cis | -165.9 | 164 | -21.1 | -103.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1000 | S | 27.5 | Very low | 31 | Very low | 98 Ų | 98 | 118.4 Ų | 118.4 | 69% | 0.685 | 70% | 0.698 | S | S | * | * | | | trans | 47.3 | 112.6 | 143.5 | 65.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1001 | S | 27.1 | Very low | 31.1 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | | | | 76.1 | 168.8 | 118.9 | 78.1 | 0 | 0 | 0 | 0 | 121.4 | | |
| 1002 | S | 28.1 | Very low | 31.4 | Very low | 98 Ų | 98 | 120 Ų | 120 | 69% | 0.685 | 70% | 0.703 | S | S | * | * | | | trans | 61.1 | 103.9 | 169.3 | 45.7 | 0 | 0 | 0 | 0 | 116 | | |
| 1003 | S | 25.5 | Very low | 31.4 | Very low | 96 Ų | 96 | 121.8 Ų | 121.8 | 67% | 0.671 | 71% | 0.71 | S | S | * | * | | | | 83.3 | 159.5 | 65.6 | 75.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1004 | L | 29.1 | Very low | 31.4 | Very low | 162 Ų | 162 | 122.5 Ų | 122.5 | 85% | 0.848 | 72% | 0.716 | S | S | * | * | | | trans | 68.3 | 157.9 | 179.7 | -57.6 | 152.3 | 0 | 0 | 0 | 113.4 | | |
| 1005 | S | 27.6 | Very low | 31.5 | Very low | 81 Ų | 81 | 118.4 Ų | 118.4 | 57% | 0.566 | 71% | 0.711 | S | S | * | * | | | cis | -171.5 | 179.5 | -30.3 | 55.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1006 | T | 33.4 | Very low | 31.6 | Very low | 122 Ų | 122 | 121.5 Ų | 121.5 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | | | trans | 67.8 | 158.4 | 168.2 | 76.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1007 | H | 32.1 | Very low | 31.8 | Very low | 151 Ų | 151 | 123.8 Ų | 123.8 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | | | cis | -152.9 | 158.5 | -21.2 | -127.3 | -70 | 0 | 0 | 0 | 107.8 | | |
| 1008 | N | 33.9 | Very low | 32.1 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 65% | 0.652 | 73% | 0.728 | S | S | * | * | | | trans | 69.5 | 150.7 | 152.9 | -64.1 | -12.5 | 0 | 0 | 0 | 117.4 | | |
| 1009 | D | 35.9 | Very low | 32.5 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 51% | 0.513 | 72% | 0.72 | S | S | . | * | | | cis | -152.2 | 154.9 | -3.3 | -129.3 | -24.4 | 0 | 0 | 0 | 115.7 | | |
| 1010 | R | 34 | Very low | 32.6 | Very low | 188 Ų | 188 | 129.6 Ų | 129.6 | 71% | 0.709 | 72% | 0.721 | S | S | * | * | | | trans | 47.8 | 127.7 | 144.7 | -81 | 156.1 | 178.8 | 134.1 | -5.1 | 122.5 | | |
| 1011 | N | 35.3 | Very low | 32.8 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | | | trans | 75.9 | 145.8 | 140.4 | -58.2 | -9.4 | 0 | 0 | 0 | 117.7 | | |
| 1012 | A | 34.8 | Very low | 33.2 | Very low | 86 Ų | 86 | 136.9 Ų | 136.9 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | | | cis | -171.2 | 164.4 | -16.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 1013 | M | 33.8 | Very low | 33.6 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | cis | -163.9 | 162.5 | 0.2 | -133.3 | 175.6 | -171.5 | 0 | 0 | 107.9 | | |
| 1014 | M | 36.3 | Very low | 33.8 | Very low | 171 Ų | 171 | 138 Ų | 138 | 84% | 0.842 | 73% | 0.731 | S | S | * | * | | | trans | 52.7 | 111.1 | 161.6 | -51.1 | -59.9 | -125 | 0 | 0 | 117.2 | | |
| 1015 | G | 35.6 | Very low | 34.1 | Very low | 71 Ų | 71 | 139.5 Ų | 139.5 | 73% | 0.732 | 73% | 0.734 | S | S | * | * | | | | 110.5 | 152.8 | 66.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1016 | L | 38.4 | Very low | 34.6 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | | | cis | -144.7 | 170.6 | 7.3 | -72.1 | 165.8 | 0 | 0 | 0 | 110.3 | | |
| 1017 | H | 35.7 | Very low | 34.6 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | | | trans | -10.6 | 152 | 160.6 | -60.1 | -82.9 | 0 | 0 | 0 | 119.5 | | |
| 1018 | K | 33.6 | Very low | 34.9 | Very low | 193 Ų | 193 | 139.8 Ų | 139.8 | 84% | 0.839 | 74% | 0.74 | S | S | * | * | | | cis | -158.6 | 157.5 | 33.3 | -147 | 159.8 | -176.8 | -174.7 | 0 | 112.8 | | |
| 1019 | P | 36.5 | Very low | 34.8 | Very low | 87 Ų | 87 | 144.9 Ų | 144.9 | 57% | 0.565 | 75% | 0.75 | S | S | * | * | | | trans | -113 | -163.3 | -170 | 43.9 | -34.5 | 0 | 0 | 0 | 114.1 | | |
| 1020 | E | 31.3 | Very low | 34.7 | Very low | 160 Ų | 160 | 146 Ų | 146 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | | | trans | 70.9 | 140.4 | 163.7 | -71.1 | 144.1 | -148.1 | 0 | 0 | 115.8 | | |
| 1021 | Y | 31.7 | Very low | 34.7 | Very low | 219 Ų | 219 | 144.2 Ų | 144.2 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | | | cis | -134.9 | 150.3 | 44.7 | -100.9 | -102 | 0 | 0 | 0 | 115.3 | | |
| 1022 | M | 34.8 | Very low | 34.5 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | | | trans | -86.2 | -179.7 | 156.2 | -57.5 | -176.9 | 76.7 | 0 | 0 | 109.9 | S1024 | M1022-S1024 VanDerWaalsContact CE-OG 3.27Å; M1022-S1024 WeakPolarHBondContact CE-OG 3.28Å |
| 1023 | P | 36 | Very low | 34.5 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | | | | -134.1 | 137.1 | 88.5 | 35.8 | -25.3 | 0 | 0 | 0 | 113.7 | | |
| 1024 | S | 30.3 | Very low | 34.6 | Very low | 85 Ų | 85 | 145.6 Ų | 145.6 | 59% | 0.594 | 77% | 0.772 | S | S | * | * | | | trans | -112.4 | 123 | 164.7 | 54.1 | 0 | 0 | 0 | 0 | 109.8 | M1022 | M1022-S1024 VanDerWaalsContact CE-OG 3.27Å; M1022-S1024 WeakPolarHBondContact CE-OG 3.28Å |
| 1025 | E | 35.7 | Very low | 34.6 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | | | trans | -141.1 | 143.5 | 163 | -76.3 | -168.2 | 172.6 | 0 | 0 | 108.2 | | |
| 1026 | S | 36.6 | Very low | 34.4 | Very low | 97 Ų | 97 | 147.8 Ų | 147.8 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | cis | -158.8 | 131.4 | -18.8 | 71.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1027 | V | 34.9 | Very low | 34.2 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | | 85.9 | 121.4 | 96.5 | 170.7 | 0 | 0 | 0 | 0 | 115 | | |
| 1028 | L | 37.9 | Very low | 34.1 | Very low | 142 Ų | 142 | 148 Ų | 148 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | | | trans | 64.9 | 121.8 | 164.1 | -62.1 | 167.5 | 0 | 0 | 0 | 117.7 | | |
| 1029 | R | 31.1 | Very low | 34 | Very low | 229 Ų | 229 | 145.8 Ų | 145.8 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | | | | 65.1 | 109.4 | 68.3 | -82.7 | -170.4 | 167.9 | -177.4 | -3 | 115 | | |
| 1030 | S | 34.8 | Very low | 33.9 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | | | | -166.8 | 152.6 | 114.4 | 53.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1031 | N | 33.5 | Very low | 34 | Very low | 150 Ų | 150 | 143.1 Ų | 143.1 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | | | trans | -80 | 145.3 | 175.7 | -56 | -32 | 0 | 0 | 0 | 110.2 | | |
| 1032 | F | 32.2 | Very low | 34.5 | Very low | 206 Ų | 206 | 138.8 Ų | 138.8 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | | | | 174.9 | 134.1 | 128.1 | -96.3 | -65.8 | 0 | 0 | 0 | 110.9 | | |
| 1033 | P | 33 | Very low | 34.7 | Very low | 109 Ų | 109 | 140 Ų | 140 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | | | trans | -103.6 | -178.1 | 171.1 | 40.7 | -34.5 | 0 | 0 | 0 | 111.7 | | |
| 1034 | P | 37.4 | Very low | 34.7 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | cis | -117.2 | 177.9 | -48.4 | 37.6 | -26.3 | 0 | 0 | 0 | 110.3 | | |
| 1035 | S | 35.4 | Very low | 35.2 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | trans | -150.4 | 122.6 | 167.3 | -73 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1036 | L | 31.7 | Very low | 35.4 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | | | trans | -82 | 135.4 | 172 | -65.8 | 164.1 | 0 | 0 | 0 | 109.9 | | |
| 1037 | Q | 34.1 | Very low | 35.4 | Very low | 176 Ų | 176 | 142.3 Ų | 142.3 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -173.3 | 122.6 | 140.9 | -106.4 | 151.7 | 93 | 0 | 0 | 115.3 | | |
| 1038 | L | 33 | Very low | 35.5 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | 68.1 | 151.8 | 139.4 | -64.4 | 168 | 0 | 0 | 0 | 121.7 | | |
| 1039 | I | 32.7 | Very low | 35.5 | Very low | 146 Ų | 146 | 141 Ų | 141 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | | | trans | -116.2 | 151.3 | -163.9 | -51.7 | 158.5 | 0 | 0 | 0 | 109.3 | | |
| 1040 | P | 34.2 | Very low | 35.8 | Very low | 89 Ų | 89 | 137.9 Ų | 137.9 | 58% | 0.578 | 79% | 0.787 | S | S | * | * | | | | -129.3 | 144.6 | 122.5 | 4.3 | 17 | 0 | 0 | 0 | 113.1 | F1383 | P1040-F1383 HydrophobicContact CB-CZ 4.36Å; P1040-F1383 HydrophobicContact CG-CE1 3.8Å; P1040-F1383 HydrophobicContact CG-CZ 4.06Å |
| 1041 | P | 33.4 | Very low | 35.8 | Very low | 102 Ų | 102 | 141.7 Ų | 141.7 | 66% | 0.662 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 147.9 | -173.7 | 34 | -35.4 | 0 | 0 | 0 | 113.7 | | |
| 1042 | P | 41.2 | Very low | 36 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 127.2 | 166.1 | -7.7 | 24.6 | 0 | 0 | 0 | 111.1 | | |
| 1043 | L | 38.7 | Very low | 36 | Very low | 160 Ų | 160 | 143 Ų | 143 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 141.7 | 176.6 | -69.9 | 137.8 | 0 | 0 | 0 | 111.8 | | |
| 1044 | P | 36.5 | Very low | 35.9 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 135.9 | 170.7 | 33.9 | -32.3 | 0 | 0 | 0 | 112.1 | | |
| 1045 | P | 42 | Very low | 35.6 | Very low | 123 Ų | 123 | 147 Ų | 147 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | | | trans | -123 | 128.5 | 161 | 30.9 | -16 | 0 | 0 | 0 | 112.9 | | |
| 1046 | N | 38.2 | Very low | 35.6 | Very low | 154 Ų | 154 | 149.1 Ų | 149.1 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | | | trans | -60.4 | 153.9 | 157.6 | -79.2 | -81.9 | 0 | 0 | 0 | 110.7 | | |
| 1047 | I | 37.8 | Very low | 35.6 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | | | | 178.3 | 131.9 | 117.9 | -90.1 | 152.4 | 0 | 0 | 0 | 109.2 | | |
| 1048 | P | 37.5 | Very low | 35.7 | Very low | 96 Ų | 96 | 144.3 Ų | 144.3 | 62% | 0.623 | 79% | 0.794 | S | S | * | * | | | trans | -76.9 | 149.3 | 174.9 | 32.2 | -34.8 | 0 | 0 | 0 | 111.9 | E1050 | P1048-E1050 VanDerWaalsContact C-N 3.27Å; P1048-E1050 PolarHBondContact O-N 3.28Å |
| 1049 | P | 37.3 | Very low | 35.5 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -82.8 | 56.9 | -173.4 | 35.4 | -37.9 | 0 | 0 | 0 | 114.2 | | |
| 1050 | E | 36.3 | Very low | 35.6 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 77% | 0.771 | 80% | 0.795 | S | S | * | * | | | trans | -103.6 | 160.8 | 152.9 | -65.2 | -168 | 162 | 0 | 0 | 108.8 | P1048 | P1048-E1050 VanDerWaalsContact C-N 3.27Å; P1048-E1050 PolarHBondContact O-N 3.28Å |
| 1051 | F | 36.1 | Very low | 35.6 | Very low | 199 Ų | 199 | 143.7 Ų | 143.7 | 87% | 0.873 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 73.6 | 31.1 | -176.3 | -73.5 | -90.3 | 0 | 0 | 0 | 119.5 | | |
| 1052 | L | 36.5 | Very low | 35.4 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | | | trans | -134 | 70 | 162.1 | -79.6 | -178.2 | 0 | 0 | 0 | 115 | | |
| 1053 | K | 34 | Very low | 35.2 | Very low | 214 Ų | 214 | 143.3 Ų | 143.3 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | | | trans | -171.5 | 82.8 | 148.2 | -109.3 | 161.7 | -173.7 | 173.4 | 0 | 113 | | |
| 1054 | S | 29.7 | Very low | 35 | Very low | 105 Ų | 105 | 143.6 Ų | 143.6 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | | | trans | -126.7 | 83.2 | 173.8 | 40.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1055 | F | 32.1 | Very low | 34.6 | Very low | 206 Ų | 206 | 147 Ų | 147 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | | | trans | -149.5 | 148.2 | 168.6 | -88.5 | -71.8 | 0 | 0 | 0 | 111 | | |
| 1056 | L | 33.6 | Very low | 34.5 | Very low | 172 Ų | 172 | 146.9 Ų | 146.9 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | | | trans | 77.2 | 101.1 | 178.2 | -61.6 | 163 | 0 | 0 | 0 | 116.5 | | |
| 1057 | V | 32.1 | Very low | 34 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 70% | 0.697 | 81% | 0.807 | S | S | * | * | | | trans | -116 | 137.6 | 165.4 | 169.8 | 0 | 0 | 0 | 0 | 106.3 | D1059 | V1057-D1059 HydrophobicContact CG1-CB 4.48Š|
| 1058 | P | 36.2 | Very low | 33.9 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | | | | -127.3 | 138.2 | 105.6 | 5.4 | 16.4 | 0 | 0 | 0 | 111.1 | | |
| 1059 | D | 29.5 | Very low | 33.5 | Very low | 144 Ų | 144 | 146.6 Ų | 146.6 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | | | | 67.4 | 100.1 | 60.3 | -78.5 | -35.7 | 0 | 0 | 0 | 115.3 | V1057 | V1057-D1059 HydrophobicContact CG1-CB 4.48Š|
| 1060 | S | 34 | Very low | 33.4 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | | | trans | -170.6 | 101.3 | 142.3 | 56.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1061 | S | 35.2 | Very low | 33 | Very low | 114 Ų | 114 | 146.1 Ų | 146.1 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | | | trans | 40.5 | 118.1 | 138.2 | 62.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 1062 | S | 29.8 | Very low | 32.9 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | | | trans | -51.2 | 168.4 | 140.9 | -26.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1063 | P | 36 | Very low | 32.4 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | | | cis | -158.9 | -165.6 | 44 | 43.4 | -19.2 | 0 | 0 | 0 | 118.7 | | |
| 1064 | L | 33.9 | Very low | 32.4 | Very low | 166 Ų | 166 | 136.4 Ų | 136.4 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | | | trans | 84.2 | 144.9 | 147.1 | -107.1 | 67.9 | 0 | 0 | 0 | 123.7 | | |
| 1065 | F | 29 | Very low | 32.5 | Very low | 197 Ų | 197 | 138.7 Ų | 138.7 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | | | trans | -85.5 | -171.7 | 169.5 | -86.7 | -98.7 | 0 | 0 | 0 | 111.4 | | |
| 1066 | P | 38.8 | Very low | 32.5 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | cis | -134.3 | 175.6 | -12.8 | 23.9 | -0.1 | 0 | 0 | 0 | 116.1 | | |
| 1067 | G | 29.4 | Very low | 32.4 | Very low | 78 Ų | 78 | 130.7 Ų | 130.7 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | 88 | 170.8 | 152.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1068 | S | 34.9 | Very low | 32.5 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | cis | -149.9 | -179.6 | -6.9 | 72.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1069 | K | 29.2 | Very low | 32.3 | Very low | 205 Ų | 205 | 136.7 Ų | 136.7 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | | | trans | -89.4 | 137.9 | -176.5 | -61.7 | 170.3 | -175.4 | 164.9 | 0 | 112 | | |
| 1070 | V | 34.7 | Very low | 32.5 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | | | trans | -134.3 | 125.4 | 159.4 | -175 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1071 | N | 28.6 | Very low | 32.5 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | trans | -94.7 | 131.8 | 163.2 | -103 | -9.3 | 0 | 0 | 0 | 107.8 | | |
| 1072 | A | 32.9 | Very low | 32.2 | Very low | 95 Ų | 95 | 136.1 Ų | 136.1 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -127.1 | 102.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 1073 | T | 27.1 | Very low | 32.6 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | | | trans | -89.4 | 128.6 | 173.5 | -49.9 | 0 | 0 | 0 | 0 | 109 | | |
| 1074 | L | 34.7 | Very low | 32.5 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | | | trans | -128.1 | 117 | 166.3 | -74.8 | 177 | 0 | 0 | 0 | 110.2 | | |
| 1075 | N | 30.4 | Very low | 32.5 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -96.2 | 129.8 | 173.1 | -74.8 | -30.7 | 0 | 0 | 0 | 109.7 | | |
| 1076 | S | 33.1 | Very low | 32.7 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | -154.7 | 102.2 | 148 | 48.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1077 | S | 30.9 | Very low | 32.4 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | | | | 64.8 | 83 | 68 | 79.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1078 | F | 33.3 | Very low | 32.5 | Very low | 212 Ų | 212 | 135.3 Ų | 135.3 | 93% | 0.93 | 77% | 0.772 | S | S | * | * | | | trans | -156.8 | 113.2 | 141.1 | -99 | -66.3 | 0 | 0 | 0 | 110.3 | | |
| 1079 | M | 32.9 | Very low | 32.2 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | | | trans | -106.3 | 152.8 | 163.2 | -78.3 | -106.7 | 69.2 | 0 | 0 | 106.4 | | |
| 1080 | P | 33.5 | Very low | 32.2 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | | -137.6 | -170.4 | 63.8 | 40.2 | -20.7 | 0 | 0 | 0 | 112.2 | | |
| 1081 | S | 33.6 | Very low | 31.8 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | cis | -146.8 | 163.6 | 9.5 | -39.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1082 | I | 29.8 | Very low | 31.7 | Very low | 141 Ų | 141 | 138 Ų | 138 | 72% | 0.723 | 77% | 0.768 | S | S | * | * | | | trans | -126.9 | 139.8 | 173.9 | -48.7 | 168.7 | 0 | 0 | 0 | 108.2 | N1084 | I1082-N1084 HydrophobicContact CG2-CB 4.3Š|
| 1083 | P | 37.8 | Very low | 31.3 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | | | | -124.8 | 136.4 | 110.2 | 0.2 | 20.8 | 0 | 0 | 0 | 110.8 | | |
| 1084 | N | 33.7 | Very low | 31.4 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | | | cis | 88.8 | 105.1 | 39.6 | -172.7 | 24.9 | 0 | 0 | 0 | 113.1 | I1082 | I1082-N1084 HydrophobicContact CG2-CB 4.3Š|
| 1085 | L | 33.9 | Very low | 31 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | | | | 168.5 | 130.4 | 121 | -88.1 | 167.1 | 0 | 0 | 0 | 112.4 | | |
| 1086 | Q | 34.6 | Very low | 30.8 | Very low | 177 Ų | 177 | 141.5 Ų | 141.5 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | | | trans | 59.8 | 154.3 | 148.9 | -63.9 | 168.4 | -11 | 0 | 0 | 120.5 | | |
| 1087 | S | 30.7 | Very low | 30.7 | Very low | 95 Ų | 95 | 143.2 Ų | 143.2 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | | | cis | -161 | 144.6 | -32.8 | -171.5 | 0 | 0 | 0 | 0 | 111 | | |
| 1088 | T | 31.7 | Very low | 30.4 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 71% | 0.712 | 77% | 0.773 | S | S | * | * | | | trans | 48.1 | 108.1 | 151.4 | 46.3 | 0 | 0 | 0 | 0 | 122.6 | | |
| 1089 | Q | 29.6 | Very low | 30.1 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | | | trans | 79.1 | 146 | 138.3 | -58.3 | -63.5 | -8.3 | 0 | 0 | 120.8 | | |
| 1090 | P | 28 | Very low | 29.8 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | | | trans | -108.3 | 146.6 | -168 | 39.6 | -32.7 | 0 | 0 | 0 | 115.1 | | |
| 1091 | L | 28.1 | Very low | 29.5 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | | | trans | -147.1 | 115.1 | 163 | -106.5 | 162.5 | 0 | 0 | 0 | 112 | | |
| 1092 | Y | 24.8 | Very low | 29.3 | Very low | 221 Ų | 221 | 148.4 Ų | 148.4 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | | | trans | 19.1 | 105.4 | 159.4 | -82.8 | -100.9 | 0 | 0 | 0 | 120.3 | | |
| 1093 | S | 24.9 | Very low | 29.2 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | | | trans | -169.4 | 131.7 | 147.6 | -87.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1094 | P | 29.6 | Very low | 28.8 | Very low | 133 Ų | 133 | 148.6 Ų | 148.6 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | -123.7 | 87.3 | 159.1 | 35.2 | -22.1 | 0 | 0 | 0 | 111.8 | | |
| 1095 | M | 26.1 | Very low | 28.6 | Very low | 154 Ų | 154 | 152 Ų | 152 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | trans | -93.4 | 106.6 | 172.6 | -178.4 | -177.4 | 62.5 | 0 | 0 | 111.4 | | |
| 1096 | R | 26.1 | Very low | 28.4 | Very low | 198 Ų | 198 | 151.5 Ų | 151.5 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | | | trans | 64.9 | 141.4 | 168.6 | -57.4 | 164.1 | 173.6 | 174.8 | -2.4 | 116.5 | | |
| 1097 | V | 30.5 | Very low | 27.9 | Very low | 146 Ų | 146 | 150 Ų | 150 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | | | trans | 178.3 | 156.5 | 136.3 | 143.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1098 | N | 26.3 | Very low | 27.7 | Very low | 130 Ų | 130 | 155.2 Ų | 155.2 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | | | trans | -79.1 | 158.2 | -177.8 | -77.8 | -20 | 0 | 0 | 0 | 114.2 | | |
| 1099 | H | 26.6 | Very low | 27.5 | Very low | 174 Ų | 174 | 156.4 Ų | 156.4 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | | | trans | 79.7 | 123.8 | 158.4 | -52.1 | -58.3 | 0 | 0 | 0 | 120.1 | | |
| 1100 | S | 26.6 | Very low | 27.4 | Very low | 102 Ų | 102 | 151.9 Ų | 151.9 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | | | trans | 70.8 | 131.2 | 146.1 | -125.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1101 | N | 27.1 | Very low | 27.3 | Very low | 149 Ų | 149 | 153 Ų | 153 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | 66.9 | 74.5 | 148.4 | -53.3 | -3.2 | 0 | 0 | 0 | 118.4 | | |
| 1102 | R | 28.9 | Very low | 27.4 | Very low | 233 Ų | 233 | 152.9 Ų | 152.9 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | | | | -155.5 | 155.4 | 125.8 | -114.9 | -176.4 | 169.8 | 178.7 | -4.6 | 112.2 | | |
| 1103 | P | 28.3 | Very low | 27.7 | Very low | 117 Ų | 117 | 149.5 Ų | 149.5 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | | | trans | -105.6 | 106 | -179 | 35.2 | -23.5 | 0 | 0 | 0 | 111.5 | | |
| 1104 | D | 29.5 | Very low | 28.2 | Very low | 152 Ų | 152 | 154.5 Ų | 154.5 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | | | trans | -92.9 | 127.4 | 172.8 | -76 | -53.5 | 0 | 0 | 0 | 111.6 | | |
| 1105 | K | 27.8 | Very low | 28.3 | Very low | 197 Ų | 197 | 153.6 Ų | 153.6 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | | | trans | -90 | 100.4 | 176.8 | -64.5 | 176.9 | 179.9 | 179.6 | 0 | 109.1 | | |
| 1106 | T | 30 | Very low | 28.5 | Very low | 116 Ų | 116 | 152.6 Ų | 152.6 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | | | trans | -79.1 | 121.7 | 163.7 | 40.8 | 0 | 0 | 0 | 0 | 109.6 | Y1108 | T1106-Y1108 PolarHBondContact O-N 3.29Š|
| 1107 | N | 25.7 | Very low | 28.8 | Very low | 145 Ų | 145 | 151.7 Ų | 151.7 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | | | trans | -71.6 | 97.2 | 178.3 | -72.1 | -26.8 | 0 | 0 | 0 | 110.3 | N1109 | N1107-N1109 PolarHBondContact O-N 2.68Š|
| 1108 | Y | 25.7 | Very low | 28.7 | Very low | 206 Ų | 206 | 148 Ų | 148 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | | | trans | -79.8 | 95.8 | 158.5 | -91.4 | -87.4 | 0 | 0 | 0 | 109 | T1106 | T1106-Y1108 PolarHBondContact O-N 3.29Š|
| 1109 | N | 27.8 | Very low | 28.8 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | | | trans | -58.8 | 151.6 | 165.8 | -76.3 | -9.9 | 0 | 0 | 0 | 110 | N1107 I1111 | N1107-N1109 PolarHBondContact O-N 2.68Å; N1109-I1111 PolarHBondContact O-N 2.91Å; N1109-I1111 VanDerWaalsContact O-N 3.11Å |
| 1110 | G | 26.2 | Very low | 28.9 | Very low | 84 Ų | 84 | 148.9 Ų | 148.9 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -62.2 | 109.4 | -158.2 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 1111 | I | 26.7 | Very low | 29.4 | Very low | 135 Ų | 135 | 151.8 Ų | 151.8 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | trans | -129.4 | 115 | 152.5 | -58.1 | 179.9 | 0 | 0 | 0 | 107.5 | N1109 H1113 | N1109-I1111 PolarHBondContact O-N 2.91Å; N1109-I1111 VanDerWaalsContact O-N 3.11Å; I1111-H1113 PolarHBondContact O-N 3.14Å |
| 1112 | L | 30.8 | Very low | 29.8 | Very low | 159 Ų | 159 | 153.8 Ų | 153.8 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -72.1 | 93 | 168.7 | -91.9 | 167.8 | 0 | 0 | 0 | 108.8 | R1114 | L1112-R1114 PolarHBondContact O-N 3.24Å; L1112-R1114 VanDerWaalsContact O-N 3.13Å |
| 1113 | H | 31.5 | Very low | 30.3 | Very low | 151 Ų | 151 | 145.4 Ų | 145.4 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | trans | -55.3 | 118.5 | 173.6 | -86.6 | -102.9 | 0 | 0 | 0 | 110.3 | I1111 P1115 | I1111-H1113 PolarHBondContact O-N 3.14Å; H1113-P1115 WeakPolarHBondContact O-CD 3.18Å |
| 1114 | R | 33.9 | Very low | 30.8 | Very low | 222 Ų | 222 | 149.4 Ų | 149.4 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | | | trans | -55.2 | 130.4 | 166.1 | -80.1 | -177 | 170.4 | 179.8 | -2.4 | 108.7 | L1112 V1116 | L1112-R1114 PolarHBondContact O-N 3.24Å; L1112-R1114 VanDerWaalsContact O-N 3.13Å; R1114-V1116 VanDerWaalsContact C-N 3.33Å; R1114-V1116 HydrophobicContact CB-CG2 4.46Å; R1114-V1116 PolarHBondContact O-N 2.99Å |
| 1115 | P | 33.3 | Very low | 31.4 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | | | trans | -67.6 | 91.8 | 169.1 | -18.5 | 32.4 | 0 | 0 | 0 | 109.8 | H1113 H1117 | H1113-P1115 WeakPolarHBondContact O-CD 3.18Å; P1115-H1117 PolarHBondContact O-N 3.48Å |
| 1116 | V | 29.4 | Very low | 32.1 | Very low | 132 Ų | 132 | 142 Ų | 142 | 80% | 0.8 | 74% | 0.738 | S | S | * | * | | | trans | -78.9 | 79.3 | 171.5 | -173.6 | 0 | 0 | 0 | 0 | 108.1 | R1114 | R1114-V1116 VanDerWaalsContact C-N 3.33Å; R1114-V1116 HydrophobicContact CB-CG2 4.46Å; R1114-V1116 PolarHBondContact O-N 2.99Å |
| 1117 | H | 33.1 | Very low | 32.9 | Very low | 180 Ų | 180 | 139.9 Ų | 139.9 | 83% | 0.833 | 72% | 0.723 | S | S | * | * | | | trans | -119.2 | 142.9 | 164.7 | -82.9 | -3.5 | 0 | 0 | 0 | 108.9 | P1115 | P1115-H1117 PolarHBondContact O-N 3.48Š|
| 1118 | G | 27.7 | Very low | 34.1 | Very low | 69 Ų | 69 | 134.4 Ų | 134.4 | 71% | 0.711 | 70% | 0.698 | S | S | * | * | | | trans | -64 | 152.6 | -160 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1119 | D | 27.6 | Very low | 35.4 | Very low | 144 Ų | 144 | 128.6 Ų | 128.6 | 77% | 0.77 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 50 | 100.6 | 150.3 | -58.5 | -12.7 | 0 | 0 | 0 | 118.3 | | |
| 1120 | K | 30 | Very low | 37 | Very low | 178 Ų | 178 | 126 Ų | 126 | 77% | 0.774 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 87 | 138.1 | 150.6 | -54.6 | 156.8 | -174.1 | 173.1 | 0 | 115.9 | Y1122 | K1120-Y1122 VanDerWaalsContact C-N 3.33Å; K1120-Y1122 PolarHBondContact O-N 2.78Å |
| 1121 | L | 35.4 | Very low | 38.5 | Very low | 162 Ų | 162 | 129.5 Ų | 129.5 | 85% | 0.848 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 65.1 | -35.9 | 167.4 | -57.5 | 171.8 | 0 | 0 | 0 | 120 | G1123 | L1121-G1123 VanDerWaalsContact C-N 3.34Å; L1121-G1123 PolarHBondContact O-N 2.86Å |
| 1122 | Y | 37.2 | Very low | 40.2 | Very low | 191 Ų | 191 | 126 Ų | 126 | 75% | 0.749 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71 | -17.6 | -167.6 | -81.4 | -81.5 | 0 | 0 | 0 | 116.8 | K1120 W1125 | K1120-Y1122 VanDerWaalsContact C-N 3.33Å; K1120-Y1122 PolarHBondContact O-N 2.78Å; Y1122-W1125 PolarHBondContact O-N 3.3Å |
| 1123 | G | 37.8 | Very low | 41.5 | Very low | 58 Ų | 58 | 121.1 Ų | 121.1 | 60% | 0.598 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.5 | -44.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1121 W1125 A1126 D1127 | L1121-G1123 VanDerWaalsContact C-N 3.34Å; L1121-G1123 PolarHBondContact O-N 2.86Å; G1123-W1125 VanDerWaalsContact C-N 3.31Å; G1123-W1125 PolarHBondContact O-N 3.18Å; G1123-A1126 PolarHBondContact O-N 3.48Å; G1123-D1127 PolarHBondContact O-N 3.2Å; G1123-D1127 VanDerWaalsContact O-N 3.16Å |
| 1124 | R | 39.5 | Very low | 42.9 | Very low | 201 Ų | 201 | 118.9 Ų | 118.9 | 76% | 0.758 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.4 | -34.2 | -177.6 | -68.2 | -169.2 | -178.2 | -173.1 | 4.4 | 112.5 | D1127 A1128 | R1124-D1127 PolarHBondContact O-N 2.71Å; R1124-A1128 WeakPolarHBondContact O-CB 3.22Å; R1124-A1128 PolarHBondContact O-N 2.92Å |
| 1125 | W | 41.6 | Very low | 44.1 | Very low | 147 Ų | 147 | 114.4 Ų | 114.4 | 56% | 0.557 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.7 | -37.3 | 177.3 | -92.3 | 71.3 | 0 | 0 | 0 | 112.9 | Y1122 G1123 H1129 | Y1122-W1125 PolarHBondContact O-N 3.3Å; G1123-W1125 VanDerWaalsContact C-N 3.31Å; G1123-W1125 PolarHBondContact O-N 3.18Å; W1125-H1129 AromaticContact CE3-CE1 3.76Å; W1125-H1129 PolarHBondContact O-N 2.89Å; W1125-H1129 PolarHBondContact O-ND1 2.91Å |
| 1126 | A | 43.1 | Very low | 45.5 | Very low | 46 Ų | 46 | 112.9 Ų | 112.9 | 38% | 0.38 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.5 | -42.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1123 H1129 I1130 | G1123-A1126 PolarHBondContact O-N 3.48Å; A1126-H1129 PolarHBondContact O-N 3.49Å; A1126-I1130 WeakPolarHBondContact O-CG1 3.44Å; A1126-I1130 PolarHBondContact O-N 3.46Å; A1126-I1130 VanDerWaalsContact O-N 3.09Å |
| 1127 | D | 47.2 | Very low | 46.9 | Very low | 72 Ų | 72 | 113 Ų | 113 | 39% | 0.385 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.9 | -45.8 | 176.8 | -173.5 | 67.7 | 0 | 0 | 0 | 112.1 | G1123 R1124 H1129 I1130 R1131 | G1123-D1127 PolarHBondContact O-N 3.2Å; G1123-D1127 VanDerWaalsContact O-N 3.16Å; R1124-D1127 PolarHBondContact O-N 2.71Å; D1127-H1129 PolarHBondContact O-N 3Å; D1127-I1130 WeakPolarHBondContact O-CB 3.3Å; D1127-I1130 PolarHBondContact O-N 3.47Å; D1127-I1130 VanDerWaalsContact O-N 3.1Å; D1127-R1131 WeakPolarHBondContact O-CG 3.42Å; D1127-R1131 PolarHBondContact O-N 2.91Å; D1127-R1131 IonicContact OD1-NE 2.66Å; D1127-R1131 IonicContact OD1-NH2 3.62Å; D1127-R1131 IonicContact OD2-CZ 3.64Å; D1127-R1131 IonicContact OD2-NE 3.5Å; D1127-R1131 PolarHBondContact OD2-NE 2.88Å; D1127-R1131 IonicContact OD2-NH2 3.94Å; D1127-R1131 PolarHBondContact OD2-NH2 3.48Å |
| 1128 | A | 49.9 | Very low | 48.3 | Very low | 30 Ų | 30 | 110.5 Ų | 110.5 | 25% | 0.248 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -59.6 | -41.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1124 I1130 R1131 I1132 | R1124-A1128 WeakPolarHBondContact O-CB 3.22Å; R1124-A1128 PolarHBondContact O-N 2.92Å; A1128-I1130 VanDerWaalsContact C-N 3.28Å; A1128-I1130 PolarHBondContact O-N 3.35Å; A1128-R1131 PolarHBondContact O-N 2.76Å; A1128-I1132 VanDerWaalsContact O-CG1 3.31Å; A1128-I1132 WeakPolarHBondContact O-CG1 3.21Å; A1128-I1132 PolarHBondContact O-N 3.42Å |
| 1129 | H | 53 | Low | 49.4 | Very low | 84 Ų | 84 | 109.7 Ų | 109.7 | 39% | 0.389 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.8 | -34.1 | 175.2 | -78.4 | 54.5 | 0 | 0 | 0 | 112.4 | K193 W1125 A1126 D1127 A1133 | K193-H1129 PolarHBondContact NZ-NE2 3.41Å; W1125-H1129 AromaticContact CE3-CE1 3.76Å; W1125-H1129 PolarHBondContact O-N 2.89Å; W1125-H1129 PolarHBondContact O-ND1 2.91Å; A1126-H1129 PolarHBondContact O-N 3.49Å; D1127-H1129 PolarHBondContact O-N 3Å; H1129-A1133 WeakPolarHBondContact O-CB 3.46Å; H1129-A1133 PolarHBondContact O-N 3.39Å |
| 1130 | I | 61.6 | Low | 50.5 | Low | 85 Ų | 85 | 109.3 Ų | 109.3 | 44% | 0.436 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.3 | -44.3 | 176.1 | -67.7 | 164.2 | 0 | 0 | 0 | 110.5 | A1126 D1127 A1128 I1132 A1133 L1134 | A1126-I1130 WeakPolarHBondContact O-CG1 3.44Å; A1126-I1130 PolarHBondContact O-N 3.46Å; A1126-I1130 VanDerWaalsContact O-N 3.09Å; D1127-I1130 WeakPolarHBondContact O-CB 3.3Å; D1127-I1130 PolarHBondContact O-N 3.47Å; D1127-I1130 VanDerWaalsContact O-N 3.1Å; A1128-I1130 VanDerWaalsContact C-N 3.28Å; A1128-I1130 PolarHBondContact O-N 3.35Å; I1130-I1132 PolarHBondContact O-N 3.24Å; I1130-A1133 PolarHBondContact O-N 2.8Å; I1130-L1134 HydrophobicContact CG2-CD1 3.97Å; I1130-L1134 HydrophobicContact CG2-CG 4.48Å; I1130-L1134 WeakPolarHBondContact O-CG 3.46Å; I1130-L1134 PolarHBondContact O-N 2.91Å |
| 1131 | R | 57.5 | Low | 51.4 | Low | 159 Ų | 159 | 104.5 Ų | 104.5 | 60% | 0.6 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.5 | -46.6 | 175.7 | -66.5 | 173.5 | -164.9 | -96.8 | -4.4 | 111.9 | D1127 A1128 A1133 L1134 F1135 | D1127-R1131 WeakPolarHBondContact O-CG 3.42Å; D1127-R1131 PolarHBondContact O-N 2.91Å; D1127-R1131 IonicContact OD1-NE 2.66Å; D1127-R1131 IonicContact OD1-NH2 3.62Å; D1127-R1131 IonicContact OD2-CZ 3.64Å; D1127-R1131 IonicContact OD2-NE 3.5Å; D1127-R1131 PolarHBondContact OD2-NE 2.88Å; D1127-R1131 IonicContact OD2-NH2 3.94Å; D1127-R1131 PolarHBondContact OD2-NH2 3.48Å; A1128-R1131 PolarHBondContact O-N 2.76Å; R1131-A1133 PolarHBondContact O-N 3.41Å; R1131-L1134 PolarHBondContact O-N 2.98Å; R1131-F1135 WeakPolarHBondContact O-CB 3.3Å; R1131-F1135 PolarHBondContact O-N 3.42Å |
| 1132 | I | 63.3 | Low | 51.7 | Low | 62 Ų | 62 | 100.2 Ų | 100.2 | 32% | 0.318 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 177 | -67.9 | 165.2 | 0 | 0 | 0 | 111 | A1128 I1130 F1135 I1136 | A1128-I1132 VanDerWaalsContact O-CG1 3.31Å; A1128-I1132 WeakPolarHBondContact O-CG1 3.21Å; A1128-I1132 PolarHBondContact O-N 3.42Å; I1130-I1132 PolarHBondContact O-N 3.24Å; I1132-F1135 PolarHBondContact O-N 2.91Å; I1132-I1136 HydrophobicContact CG2-CD1 3.74Å; I1132-I1136 HydrophobicContact CG2-CG1 4.44Å; I1132-I1136 WeakPolarHBondContact O-CB 3.31Å; I1132-I1136 VanDerWaalsContact O-CG1 3.29Å; I1132-I1136 WeakPolarHBondContact O-CG1 3.41Å; I1132-I1136 PolarHBondContact O-N 3.15Å |
| 1133 | A | 57 | Low | 52 | Low | 55 Ų | 55 | 96.3 Ų | 96.3 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | H1129 I1130 R1131 Q1137 | H1129-A1133 WeakPolarHBondContact O-CB 3.46Å; H1129-A1133 PolarHBondContact O-N 3.39Å; I1130-A1133 PolarHBondContact O-N 2.8Å; R1131-A1133 PolarHBondContact O-N 3.41Å; A1133-Q1137 VanDerWaalsContact O-CB 3.29Å; A1133-Q1137 WeakPolarHBondContact O-CB 3.35Å; A1133-Q1137 PolarHBondContact O-N 3.1Å |
| 1134 | L | 61.7 | Low | 52 | Low | 104 Ų | 104 | 102.1 Ų | 102.1 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 175.8 | -72 | 169.3 | 0 | 0 | 0 | 112.2 | I1130 R1131 Q1137 H1138 | I1130-L1134 HydrophobicContact CG2-CD1 3.97Å; I1130-L1134 HydrophobicContact CG2-CG 4.48Å; I1130-L1134 WeakPolarHBondContact O-CG 3.46Å; I1130-L1134 PolarHBondContact O-N 2.91Å; R1131-L1134 PolarHBondContact O-N 2.98Å; L1134-Q1137 PolarHBondContact O-N 3.2Å; L1134-H1138 WeakPolarHBondContact O-CB 3.18Å; L1134-H1138 PolarHBondContact O-N 3.31Å |
| 1135 | F | 60.1 | Low | 51.8 | Low | 129 Ų | 129 | 95.6 Ų | 95.6 | 57% | 0.566 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.9 | -49.2 | 175.6 | -179.6 | -103.1 | 0 | 0 | 0 | 111.8 | R1131 I1132 Q1137 H1138 C1139 | R1131-F1135 WeakPolarHBondContact O-CB 3.3Å; R1131-F1135 PolarHBondContact O-N 3.42Å; I1132-F1135 PolarHBondContact O-N 2.91Å; F1135-Q1137 PolarHBondContact O-N 2.89Å; F1135-H1138 WeakPolarHBondContact O-CB 3.37Å; F1135-H1138 PolarHBondContact O-N 2.92Å; F1135-H1138 VanDerWaalsContact O-N 3.12Å; F1135-C1139 PolarHBondContact O-N 2.58Å; F1135-C1139 PolarHBondContact O-SG 3.15Å; F1135-C1139 VanDerWaalsContact O-SG 3.34Å |
| 1136 | I | 61.4 | Low | 51.3 | Low | 83 Ų | 83 | 95 Ų | 95 | 43% | 0.426 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.1 | -37.2 | 175.7 | -68.1 | 168.4 | 0 | 0 | 0 | 111 | I1132 K1140 | I1132-I1136 HydrophobicContact CG2-CD1 3.74Å; I1132-I1136 HydrophobicContact CG2-CG1 4.44Å; I1132-I1136 WeakPolarHBondContact O-CB 3.31Å; I1132-I1136 VanDerWaalsContact O-CG1 3.29Å; I1132-I1136 WeakPolarHBondContact O-CG1 3.41Å; I1132-I1136 PolarHBondContact O-N 3.15Å; I1136-K1140 HydrophobicContact CG2-CD 4.14Å; I1136-K1140 WeakPolarHBondContact O-CB 3.43Å; I1136-K1140 VanDerWaalsContact O-CG 3.28Å; I1136-K1140 WeakPolarHBondContact O-CG 3.31Å; I1136-K1140 PolarHBondContact O-N 3.13Å; I1136-K1140 VanDerWaalsContact O-N 3.09Å |
| 1137 | Q | 59.4 | Low | 50.7 | Low | 133 Ų | 133 | 102.6 Ų | 102.6 | 62% | 0.621 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.1 | -44.7 | 174.8 | -175.9 | 171.6 | -17.9 | 0 | 0 | 111.7 | A1133 L1134 F1135 K1140 S1141 | A1133-Q1137 VanDerWaalsContact O-CB 3.29Å; A1133-Q1137 WeakPolarHBondContact O-CB 3.35Å; A1133-Q1137 PolarHBondContact O-N 3.1Å; L1134-Q1137 PolarHBondContact O-N 3.2Å; F1135-Q1137 PolarHBondContact O-N 2.89Å; Q1137-K1140 PolarHBondContact O-N 2.84Å; Q1137-S1141 PolarHBondContact O-N 2.99Å; Q1137-S1141 PolarHBondContact O-OG 3.3Å; Q1137-S1141 VanDerWaalsContact O-OG 3.07Å |
| 1138 | H | 62.6 | Low | 49.9 | Very low | 128 Ų | 128 | 104 Ų | 104 | 59% | 0.593 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.7 | -48.3 | 177.3 | -175.4 | -93.5 | 0 | 0 | 0 | 112.2 | L1134 F1135 K1140 S1141 S1142 | L1134-H1138 WeakPolarHBondContact O-CB 3.18Å; L1134-H1138 PolarHBondContact O-N 3.31Å; F1135-H1138 WeakPolarHBondContact O-CB 3.37Å; F1135-H1138 PolarHBondContact O-N 2.92Å; F1135-H1138 VanDerWaalsContact O-N 3.12Å; H1138-K1140 VanDerWaalsContact C-N 3.3Å; H1138-K1140 PolarHBondContact O-N 2.83Å; H1138-S1141 WeakPolarHBondContact CA-OG 3.5Å; H1138-S1141 PolarHBondContact O-N 2.97Å; H1138-S1141 PolarHBondContact O-OG 2.97Å; H1138-S1142 PolarHBondContact O-N 3.17Å |
| 1139 | C | 51.2 | Low | 48.9 | Very low | 52 Ų | 52 | 107.6 Ų | 107.6 | 35% | 0.351 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -57.7 | -42.9 | 174.5 | -65.3 | 0 | 0 | 0 | 0 | 111.6 | F1135 S1142 T1143 | F1135-C1139 PolarHBondContact O-N 2.58Å; F1135-C1139 PolarHBondContact O-SG 3.15Å; F1135-C1139 VanDerWaalsContact O-SG 3.34Å; C1139-S1142 WeakPolarHBondContact O-CB 3.42Å; C1139-S1142 PolarHBondContact O-N 2.97Å; C1139-T1143 PolarHBondContact O-N 3.23Å; C1139-T1143 VanDerWaalsContact O-N 3.15Å; C1139-T1143 PolarHBondContact O-OG1 2.99Å; C1139-T1143 VanDerWaalsContact O-OG1 3.09Å |
| 1140 | K | 50.3 | Low | 47.7 | Very low | 137 Ų | 137 | 108.9 Ų | 108.9 | 60% | 0.596 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.9 | -40.1 | 178.8 | -76.2 | 178.4 | 179 | -174.5 | 0 | 113.4 | I1136 Q1137 H1138 S1142 T1143 | I1136-K1140 HydrophobicContact CG2-CD 4.14Å; I1136-K1140 WeakPolarHBondContact O-CB 3.43Å; I1136-K1140 VanDerWaalsContact O-CG 3.28Å; I1136-K1140 WeakPolarHBondContact O-CG 3.31Å; I1136-K1140 PolarHBondContact O-N 3.13Å; I1136-K1140 VanDerWaalsContact O-N 3.09Å; Q1137-K1140 PolarHBondContact O-N 2.84Å; H1138-K1140 VanDerWaalsContact C-N 3.3Å; H1138-K1140 PolarHBondContact O-N 2.83Å; K1140-S1142 VanDerWaalsContact C-N 3.31Å; K1140-T1143 WeakPolarHBondContact CA-OG1 3.47Å; K1140-T1143 PolarHBondContact O-N 3.41Å; K1140-T1143 PolarHBondContact O-OG1 3.16Å |
| 1141 | S | 48.1 | Very low | 46.2 | Very low | 76 Ų | 76 | 111 Ų | 111 | 53% | 0.531 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63.7 | -36.4 | 171.6 | 44.2 | 0 | 0 | 0 | 0 | 112.3 | Q1137 H1138 T1143 Q1144 | Q1137-S1141 PolarHBondContact O-N 2.99Å; Q1137-S1141 PolarHBondContact O-OG 3.3Å; Q1137-S1141 VanDerWaalsContact O-OG 3.07Å; H1138-S1141 WeakPolarHBondContact CA-OG 3.5Å; H1138-S1141 PolarHBondContact O-N 2.97Å; H1138-S1141 PolarHBondContact O-OG 2.97Å; S1141-T1143 VanDerWaalsContact C-N 3.3Å; S1141-T1143 PolarHBondContact O-N 3.27Å; S1141-Q1144 PolarHBondContact O-N 3.05Å |
| 1142 | S | 42.4 | Very low | 44.8 | Very low | 72 Ų | 72 | 108.8 Ų | 108.8 | 50% | 0.503 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.3 | -27.3 | 177.1 | -166.3 | 0 | 0 | 0 | 0 | 113.3 | H1138 C1139 K1140 | H1138-S1142 PolarHBondContact O-N 3.17Å; C1139-S1142 WeakPolarHBondContact O-CB 3.42Å; C1139-S1142 PolarHBondContact O-N 2.97Å; K1140-S1142 VanDerWaalsContact C-N 3.31Å |
| 1143 | T | 43.1 | Very low | 42.9 | Very low | 109 Ų | 109 | 110.2 Ų | 110.2 | 67% | 0.669 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -6.2 | -178.7 | 42.2 | 0 | 0 | 0 | 0 | 115.3 | C1139 K1140 S1141 | C1139-T1143 PolarHBondContact O-N 3.23Å; C1139-T1143 VanDerWaalsContact O-N 3.15Å; C1139-T1143 PolarHBondContact O-OG1 2.99Å; C1139-T1143 VanDerWaalsContact O-OG1 3.09Å; K1140-T1143 WeakPolarHBondContact CA-OG1 3.47Å; K1140-T1143 PolarHBondContact O-N 3.41Å; K1140-T1143 PolarHBondContact O-OG1 3.16Å; S1141-T1143 VanDerWaalsContact C-N 3.3Å; S1141-T1143 PolarHBondContact O-N 3.27Å |
| 1144 | Q | 38.9 | Very low | 41.3 | Very low | 180 Ų | 180 | 113.4 Ų | 113.4 | 84% | 0.841 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -101.1 | 4.9 | 179.1 | -69.4 | -166.2 | -29.3 | 0 | 0 | 114.3 | S1141 | S1141-Q1144 PolarHBondContact O-N 3.05Š|
| 1145 | G | 33.7 | Very low | 39.7 | Very low | 64 Ų | 64 | 114.7 Ų | 114.7 | 66% | 0.66 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -110.5 | -1.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1146 | L | 32.5 | Very low | 37.9 | Very low | 134 Ų | 134 | 119.1 Ų | 119.1 | 70% | 0.702 | 67% | 0.673 | S | S | * | * | | | trans | -124.1 | 86.9 | -167.4 | -66.4 | 173.5 | 0 | 0 | 0 | 112.8 | | |
| 1147 | Q | 30.6 | Very low | 36.2 | Very low | 206 Ų | 206 | 119.5 Ų | 119.5 | 96% | 0.963 | 68% | 0.683 | S | S | * | * | | | trans | -102 | 75.3 | 158.4 | -78.9 | -166.2 | -17.9 | 0 | 0 | 109.9 | | |
| 1148 | S | 30.6 | Very low | 34.5 | Very low | 101 Ų | 101 | 118.4 Ų | 118.4 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -157.6 | 161.6 | 168 | 50 | 0 | 0 | 0 | 0 | 111 | | |
| 1149 | S | 28.4 | Very low | 32.9 | Very low | 106 Ų | 106 | 118.8 Ų | 118.8 | 74% | 0.741 | 70% | 0.699 | S | S | * | * | | | trans | -58.4 | 146.1 | -163.7 | -142.2 | 0 | 0 | 0 | 0 | 114.9 | V1151 | S1149-V1151 PolarHBondContact O-N 3.25Š|
| 1150 | P | 28 | Very low | 31.8 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | | | trans | -69.4 | 130.8 | 171.8 | 29.9 | -34.5 | 0 | 0 | 0 | 111.1 | | |
| 1151 | V | 28.7 | Very low | 30.7 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 79% | 0.788 | 74% | 0.735 | S | S | * | * | | | trans | -125.3 | 98 | 167.6 | -179.9 | 0 | 0 | 0 | 0 | 107.4 | S1149 | S1149-V1151 PolarHBondContact O-N 3.25Š|
| 1152 | I | 28.2 | Very low | 29.7 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 57% | 0.574 | 74% | 0.741 | S | S | * | * | | | trans | -90.8 | 109.1 | 174.8 | -61.9 | 175.9 | 0 | 0 | 0 | 107.5 | | |
| 1153 | S | 23.6 | Very low | 28.9 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | | | trans | -174.7 | 141.4 | 154.6 | 23.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1154 | S | 24.3 | Very low | 28 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | | | trans | 73 | 169.6 | 166.1 | -156.1 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1155 | I | 27.3 | Very low | 27.3 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 68% | 0.677 | 76% | 0.761 | S | S | * | * | | | trans | 79.3 | 66.9 | 173.3 | -41.7 | 180 | 0 | 0 | 0 | 115.6 | S1157 | I1155-S1157 VanDerWaalsContact C-N 3.34Å; I1155-S1157 PolarHBondContact O-N 2.9Å |
| 1156 | F | 23.6 | Very low | 26.9 | Very low | 221 Ų | 221 | 137.3 Ų | 137.3 | 97% | 0.969 | 76% | 0.756 | S | S | * | * | | | | -65.7 | 99.7 | 129.6 | -125.4 | -81.7 | 0 | 0 | 0 | 107.2 | | |
| 1157 | S | 24 | Very low | 26.6 | Very low | 92 Ų | 92 | 137.2 Ų | 137.2 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | | | trans | -157.5 | 129.9 | 163.4 | -72.7 | 0 | 0 | 0 | 0 | 111.1 | I1155 | I1155-S1157 VanDerWaalsContact C-N 3.34Å; I1155-S1157 PolarHBondContact O-N 2.9Å |
| 1158 | T | 25.1 | Very low | 26.4 | Very low | 109 Ų | 109 | 138 Ų | 138 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | | | trans | -58.4 | 137.3 | 167.4 | 52.2 | 0 | 0 | 0 | 0 | 110.8 | R1160 | T1158-R1160 PolarHBondContact O-N 2.76Š|
| 1159 | P | 28.9 | Very low | 26.2 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | | | trans | -71.1 | 69.4 | 154.5 | 31.9 | -33.6 | 0 | 0 | 0 | 109.6 | L1161 | P1159-L1161 PolarHBondContact O-N 2.88Š|
| 1160 | R | 28.7 | Very low | 26.1 | Very low | 222 Ų | 222 | 147.2 Ų | 147.2 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | | | trans | -68.1 | 113.3 | 152.5 | -95.8 | -171.4 | 171.7 | -173.5 | 0.4 | 106 | T1158 | T1158-R1160 PolarHBondContact O-N 2.76Š|
| 1161 | L | 26.3 | Very low | 26 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | | | trans | -171.6 | 159 | 152.6 | -98.6 | 163.5 | 0 | 0 | 0 | 106.8 | P1159 | P1159-L1161 PolarHBondContact O-N 2.88Š|
| 1162 | P | 26.3 | Very low | 26 | Very low | 103 Ų | 103 | 148.7 Ų | 148.7 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | | | | -109.4 | 165.3 | -112.2 | 38.6 | -33.7 | 0 | 0 | 0 | 113.7 | | |
| 1163 | I | 26.6 | Very low | 25.9 | Very low | 158 Ų | 158 | 146.5 Ų | 146.5 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | | | | -167.6 | 148.6 | 113 | -93.2 | 150 | 0 | 0 | 0 | 109 | | |
| 1164 | R | 24 | Very low | 26.4 | Very low | 217 Ų | 217 | 147.8 Ų | 147.8 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | | | trans | -68.5 | 156.8 | -172.9 | -65.1 | 174.4 | 178 | 168.7 | -1.9 | 112.5 | V1166 | R1164-V1166 PolarHBondContact O-N 3.38Š|
| 1165 | P | 24 | Very low | 26.6 | Very low | 121 Ų | 121 | 150.9 Ų | 150.9 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | trans | -66.6 | 95.4 | 165.8 | 28.9 | -34.5 | 0 | 0 | 0 | 110.4 | V1167 | P1165-V1167 PolarHBondContact O-N 3.25Š|
| 1166 | V | 25.7 | Very low | 26.6 | Very low | 94 Ų | 94 | 149.5 Ų | 149.5 | 57% | 0.57 | 79% | 0.786 | S | S | * | * | | | trans | -81.5 | 69.2 | 177.7 | -171.1 | 0 | 0 | 0 | 0 | 110.4 | R1164 R1168 | R1164-V1166 PolarHBondContact O-N 3.38Å; V1166-R1168 HydrophobicContact CG1-CB 4.13Å; V1166-R1168 HydrophobicContact CG1-CG 3.68Å; V1166-R1168 PolarHBondContact O-N 2.74Å |
| 1167 | V | 26.3 | Very low | 26.9 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | | | trans | -75.7 | 73.4 | 164.9 | -174.6 | 0 | 0 | 0 | 0 | 108.6 | P1165 R1169 | P1165-V1167 PolarHBondContact O-N 3.25Å; V1167-R1169 PolarHBondContact O-N 2.77Å |
| 1168 | R | 27 | Very low | 27.1 | Very low | 222 Ų | 222 | 148.3 Ų | 148.3 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -87.8 | 101.9 | 172.1 | -87 | 179.3 | 175.2 | 163.3 | -2.9 | 110.3 | V1166 | V1166-R1168 HydrophobicContact CG1-CB 4.13Å; V1166-R1168 HydrophobicContact CG1-CG 3.68Å; V1166-R1168 PolarHBondContact O-N 2.74Å |
| 1169 | R | 26.4 | Very low | 27.4 | Very low | 230 Ų | 230 | 147.9 Ų | 147.9 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | | | trans | -72.7 | 120 | 156.5 | -85.1 | 178.6 | 159.1 | -176.6 | -6 | 109.3 | V1167 | V1167-R1169 PolarHBondContact O-N 2.77Š|
| 1170 | L | 26.3 | Very low | 27.3 | Very low | 171 Ų | 171 | 145.8 Ų | 145.8 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | | | trans | -146.3 | 164.4 | 153.1 | -78.4 | -174.7 | 0 | 0 | 0 | 108.8 | | |
| 1171 | S | 25.2 | Very low | 27.2 | Very low | 100 Ų | 100 | 139.5 Ų | 139.5 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | trans | -147.7 | 155.9 | -147.1 | -48.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 1172 | L | 28.6 | Very low | 27.3 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | | | trans | 73.1 | 157.1 | 149.8 | -73.4 | 158.2 | 0 | 0 | 0 | 120.7 | | |
| 1173 | G | 26.6 | Very low | 27.3 | Very low | 66 Ų | 66 | 140.6 Ų | 140.6 | 68% | 0.68 | 76% | 0.764 | S | S | * | * | | | trans | 92.4 | 107.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1174 | V | 32.5 | Very low | 27.5 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | | | cis | 74.2 | 114.9 | 13.9 | -170.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1175 | H | 30.5 | Very low | 27.6 | Very low | 187 Ų | 187 | 131.8 Ų | 131.8 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | | | trans | 171.9 | 147.2 | 145.4 | -84.3 | -43.4 | 0 | 0 | 0 | 108.3 | | |
| 1176 | S | 27 | Very low | 27.9 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | cis | -157.2 | -158.8 | -5.8 | 59.4 | 0 | 0 | 0 | 0 | 111 | | |
| 1177 | S | 29.3 | Very low | 27.9 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | | | trans | 62.6 | 73.8 | 177.4 | 51.9 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1178 | M | 28.5 | Very low | 28 | Very low | 172 Ų | 172 | 133.4 Ų | 133.4 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | | | | -28.7 | 170.4 | 122.6 | -110.5 | -144.4 | 165.8 | 0 | 0 | 116.1 | | |
| 1179 | P | 30.2 | Very low | 27.9 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | | | cis | -145.8 | 178 | 34 | 37.6 | -15 | 0 | 0 | 0 | 119.1 | | |
| 1180 | S | 27.2 | Very low | 28 | Very low | 91 Ų | 91 | 130.2 Ų | 130.2 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | | | trans | 58.5 | 144.9 | 140.6 | 58.8 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1181 | S | 27.7 | Very low | 28 | Very low | 91 Ų | 91 | 127.4 Ų | 127.4 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | cis | -179.6 | 177.3 | -10.8 | 52.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1182 | I | 27.6 | Very low | 28.1 | Very low | 151 Ų | 151 | 128.1 Ų | 128.1 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | | | trans | 74 | 136.2 | 160.4 | -61.4 | 159.2 | 0 | 0 | 0 | 115.6 | | |
| 1183 | I | 27.1 | Very low | 28.1 | Very low | 139 Ų | 139 | 130.1 Ų | 130.1 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | | | cis | -168.1 | 165.9 | -32.9 | -123.5 | 162.8 | 0 | 0 | 0 | 109.4 | | |
| 1184 | S | 29 | Very low | 28.1 | Very low | 117 Ų | 117 | 135 Ų | 135 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | 66.2 | 143.3 | 161.6 | 65.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 1185 | G | 27.8 | Very low | 27.8 | Very low | 72 Ų | 72 | 133.9 Ų | 133.9 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | | | trans | 115.3 | 75.4 | 143.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1186 | P | 29.5 | Very low | 27.6 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | | | trans | -84.1 | 138.1 | 167.7 | 34 | -31.9 | 0 | 0 | 0 | 112.1 | | |
| 1187 | A | 26.7 | Very low | 27.7 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | | | trans | -140.2 | 137.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1188 | N | 26.4 | Very low | 27.5 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | | | trans | -130.1 | 127.4 | -171.7 | 174.6 | 24 | 0 | 0 | 0 | 109.2 | | |
| 1189 | Y | 26.4 | Very low | 27.6 | Very low | 240 Ų | 240 | 132.1 Ų | 132.1 | 94% | 0.941 | 76% | 0.759 | S | S | * | * | | | trans | -149.1 | 147.5 | 164.8 | -100.9 | -70.4 | 0 | 0 | 0 | 112 | | |
| 1190 | N | 27.8 | Very low | 27.4 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | trans | -152.7 | 119.6 | -168.2 | -178.9 | 12.8 | 0 | 0 | 0 | 110 | | |
| 1191 | S | 27.1 | Very low | 27.5 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | trans | -179.8 | 155.2 | 176.2 | -90.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1192 | S | 27.6 | Very low | 27.5 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | cis | -159.9 | -176.7 | -8.9 | 49.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1193 | R | 26.7 | Very low | 27.5 | Very low | 216 Ų | 216 | 141.4 Ų | 141.4 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | | | trans | -82.8 | 162.1 | -174.5 | -54 | 169.1 | 175.7 | 172.2 | -4.3 | 113.3 | | |
| 1194 | I | 27.3 | Very low | 27.5 | Very low | 167 Ų | 167 | 138.6 Ų | 138.6 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | | | | -167.2 | 169.9 | 126.6 | -100.9 | 154.9 | 0 | 0 | 0 | 108.4 | | |
| 1195 | N | 26.8 | Very low | 27.5 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 51% | 0.513 | 77% | 0.772 | S | S | . | * | | | | 169.9 | 125.8 | -61.8 | -102.8 | 62.7 | 0 | 0 | 0 | 108.6 | | |
| 1196 | I | 26.1 | Very low | 27.5 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | | | trans | 41.2 | 123.6 | 140.4 | -49.3 | 171.4 | 0 | 0 | 0 | 119.4 | | |
| 1197 | E | 29.3 | Very low | 27.9 | Very low | 185 Ų | 185 | 143.3 Ų | 143.3 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | | | | -174.9 | 136.5 | 116 | -94.4 | 176.5 | -176.3 | 0 | 0 | 107.7 | | |
| 1198 | S | 25.5 | Very low | 28.1 | Very low | 94 Ų | 94 | 143.7 Ų | 143.7 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | cis | 112.9 | 178.5 | 19.5 | 94.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1199 | V | 29.3 | Very low | 28.2 | Very low | 120 Ų | 120 | 142 Ų | 142 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | 70.5 | 92.2 | -173 | -169.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1200 | N | 27.4 | Very low | 28.4 | Very low | 138 Ų | 138 | 139 Ų | 139 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | | | | 55.7 | 121.5 | 82.3 | -79 | -16.1 | 0 | 0 | 0 | 116.4 | | |
| 1201 | N | 29.5 | Very low | 28.3 | Very low | 153 Ų | 153 | 143.1 Ų | 143.1 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | | -168.4 | 155.6 | 102.3 | -100 | -41.9 | 0 | 0 | 0 | 114.5 | | |
| 1202 | N | 27.1 | Very low | 28.6 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | | | trans | -89 | 159.2 | -178.1 | -51.1 | -75.5 | 0 | 0 | 0 | 112.1 | | |
| 1203 | R | 27.9 | Very low | 28.8 | Very low | 193 Ų | 193 | 142.1 Ų | 142.1 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | | | | -172.7 | 151.7 | 102.1 | -146.8 | 173.3 | -175.3 | -161.6 | 0.1 | 112 | N230 | N230-R1203 PolarHBondContact O-NH1 2.91Å; N230-R1203 PolarHBondContact O-NH2 3.36Å |
| 1204 | S | 26.8 | Very low | 28.8 | Very low | 80 Ų | 80 | 136.6 Ų | 136.6 | 56% | 0.559 | 74% | 0.744 | S | S | * | * | | | trans | -98.1 | 153.4 | 171.5 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1205 | T | 29.4 | Very low | 28.9 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | | | trans | -149.9 | 121.2 | 152 | 13.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1206 | H | 27.3 | Very low | 28.9 | Very low | 161 Ų | 161 | 140.1 Ų | 140.1 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | | | trans | -79.2 | -169.7 | 159.1 | -60.5 | -103.8 | 0 | 0 | 0 | 109 | | |
| 1207 | P | 36.8 | Very low | 29 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | | | cis | -118.2 | -137.6 | -11.4 | 29.7 | -3.9 | 0 | 0 | 0 | 107.9 | | |
| 1208 | P | 31 | Very low | 28.9 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | | | cis | -129.1 | -133 | -12 | 50.1 | -30.5 | 0 | 0 | 0 | 111.1 | | |
| 1209 | P | 29.6 | Very low | 29 | Very low | 105 Ų | 105 | 137 Ų | 137 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | | | trans | -126.1 | -176 | -153.5 | 37.3 | -13.7 | 0 | 0 | 0 | 115.8 | | |
| 1210 | L | 29.7 | Very low | 28.8 | Very low | 175 Ų | 175 | 136 Ų | 136 | 92% | 0.916 | 73% | 0.734 | S | S | * | * | | | | 178.7 | 159 | 117.2 | -92.7 | 165.1 | 0 | 0 | 0 | 112.4 | | |
| 1211 | R | 27.3 | Very low | 28.9 | Very low | 232 Ų | 232 | 136.8 Ų | 136.8 | 88% | 0.875 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 164.6 | -174.8 | -109.9 | -176.1 | 162.1 | 158 | -5 | 112.8 | | |
| 1212 | P | 31.8 | Very low | 28.8 | Very low | 100 Ų | 100 | 135.6 Ų | 135.6 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -99 | 169.1 | -170 | 40.3 | -37.1 | 0 | 0 | 0 | 114.2 | | |
| 1213 | P | 31.8 | Very low | 28.8 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 69% | 0.688 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 131.7 | 146 | 33.8 | -28.5 | 0 | 0 | 0 | 109 | | |
| 1214 | S | 27.3 | Very low | 28.7 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | | | cis | 68.1 | 74.4 | 30.2 | 94 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1215 | F | 29.2 | Very low | 28.8 | Very low | 200 Ų | 200 | 135.7 Ų | 135.7 | 88% | 0.877 | 74% | 0.74 | S | S | * | * | | | trans | -137 | 91.5 | 154.5 | -90.2 | -73 | 0 | 0 | 0 | 110.4 | | |
| 1216 | L | 27.5 | Very low | 28.6 | Very low | 136 Ų | 136 | 133.5 Ų | 133.5 | 71% | 0.712 | 73% | 0.73 | S | S | * | * | | | trans | -76.5 | 153.8 | 146.6 | -72.9 | 162.2 | 0 | 0 | 0 | 107.7 | S1218 | L1216-S1218 WeakPolarHBondContact CB-OG 3.43Š|
| 1217 | P | 28.6 | Very low | 28.7 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | | | | -111.5 | 143.2 | 83.9 | 33.1 | -33.9 | 0 | 0 | 0 | 111.4 | | |
| 1218 | S | 25.8 | Very low | 28.2 | Very low | 67 Ų | 67 | 131.3 Ų | 131.3 | 47% | 0.469 | 73% | 0.729 | S | S | . | * | | | cis | 55.2 | 124.6 | 12 | 85.7 | 0 | 0 | 0 | 0 | 117.5 | L1216 | L1216-S1218 WeakPolarHBondContact CB-OG 3.43Š|
| 1219 | Q | 27.1 | Very low | 28.2 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | | | trans | 80.6 | 140.4 | 172.1 | -53 | -160.8 | 45.4 | 0 | 0 | 114 | | |
| 1220 | L | 26.8 | Very low | 28.1 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 52% | 0.524 | 73% | 0.734 | S | S | . | * | | | cis | -159.3 | 169.9 | 5.1 | -131 | 173.6 | 0 | 0 | 0 | 112.4 | N1222 | L1220-N1222 WeakPolarHBondContact CD2-ND2 3.44Š|
| 1221 | H | 28.5 | Very low | 28.1 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | | | trans | 89 | 113.1 | 171.3 | -50.1 | 102.9 | 0 | 0 | 0 | 115.7 | | |
| 1222 | N | 26.9 | Very low | 28.2 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 68% | 0.684 | 72% | 0.723 | S | S | * | * | | | cis | 85 | 144.6 | 37 | -62.1 | -13.9 | 0 | 0 | 0 | 113.6 | L1220 | L1220-N1222 WeakPolarHBondContact CD2-ND2 3.44Š|
| 1223 | P | 27.4 | Very low | 28.3 | Very low | 105 Ų | 105 | 130 Ų | 130 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | | | cis | -139.2 | 173.8 | -30.2 | 38.4 | -21.6 | 0 | 0 | 0 | 114.5 | N1225 | P1223-N1225 PolarHBondContact O-N 3.44Š|
| 1224 | I | 25.6 | Very low | 28.3 | Very low | 147 Ų | 147 | 132 Ų | 132 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | | | trans | 10.6 | 108.2 | 142.4 | -53.7 | 167 | 0 | 0 | 0 | 115.7 | S1226 | I1224-S1226 PolarHBondContact O-N 3.16Š|
| 1225 | N | 28.8 | Very low | 28.6 | Very low | 169 Ų | 169 | 135.1 Ų | 135.1 | 90% | 0.904 | 75% | 0.746 | S | S | * | * | | | trans | -83.9 | 91.2 | 161.9 | -126.8 | -9.9 | 0 | 0 | 0 | 108.8 | P1223 V1227 | P1223-N1225 PolarHBondContact O-N 3.44Å; N1225-V1227 PolarHBondContact O-N 3.44Å |
| 1226 | S | 26 | Very low | 28.5 | Very low | 97 Ų | 97 | 132.7 Ų | 132.7 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | | | trans | -80.9 | 100.4 | -177.3 | 56.3 | 0 | 0 | 0 | 0 | 111.8 | I1224 S1228 | I1224-S1226 PolarHBondContact O-N 3.16Å; S1226-S1228 PolarHBondContact O-N 3.45Å |
| 1227 | V | 29.6 | Very low | 28.6 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | | | trans | -84.2 | 100.6 | 161.7 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | N1225 | N1225-V1227 PolarHBondContact O-N 3.44Š|
| 1228 | S | 25 | Very low | 28.6 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | | | trans | -71.7 | 128.8 | 177.1 | 178.3 | 0 | 0 | 0 | 0 | 111.4 | S1226 | S1226-S1228 PolarHBondContact O-N 3.45Š|
| 1229 | S | 31.1 | Very low | 28.7 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | | | trans | -144.7 | 99.8 | 155.5 | -94.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1230 | N | 27.3 | Very low | 28.8 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | -32.9 | 134.5 | 163.5 | -61.8 | -38.4 | 0 | 0 | 0 | 114.2 | | |
| 1231 | N | 31 | Very low | 28.8 | Very low | 153 Ų | 153 | 133.2 Ų | 133.2 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | | -168.9 | 155.3 | 94.2 | -96.9 | -38.8 | 0 | 0 | 0 | 113.5 | | |
| 1232 | N | 30 | Very low | 28.8 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | | | trans | -75.6 | 148.5 | 179.6 | -55.4 | -53.9 | 0 | 0 | 0 | 111.8 | | |
| 1233 | N | 32.7 | Very low | 28.8 | Very low | 161 Ų | 161 | 130.8 Ų | 130.8 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | | | | -172 | 146.5 | 104.8 | -94.1 | -29.8 | 0 | 0 | 0 | 113.4 | | |
| 1234 | N | 32.4 | Very low | 28.9 | Very low | 148 Ų | 148 | 131.3 Ų | 131.3 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | -76.9 | 148.8 | 172.8 | -64.9 | -38.4 | 0 | 0 | 0 | 111.2 | | |
| 1235 | N | 32.3 | Very low | 29.2 | Very low | 165 Ų | 165 | 126.3 Ų | 126.3 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | | | | -159.9 | 138.7 | 129.1 | -106.5 | -32.9 | 0 | 0 | 0 | 111.6 | | |
| 1236 | N | 28.7 | Very low | 29.4 | Very low | 149 Ų | 149 | 122.7 Ų | 122.7 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | | | trans | -84.8 | 136.2 | -177.7 | -61.6 | -40.6 | 0 | 0 | 0 | 111 | | |
| 1237 | N | 29.9 | Very low | 29.8 | Very low | 159 Ų | 159 | 123.9 Ų | 123.9 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | | | trans | -171.3 | 145.9 | 138.1 | -103.1 | -36.7 | 0 | 0 | 0 | 114 | | |
| 1238 | S | 27.3 | Very low | 30 | Very low | 120 Ų | 120 | 120.2 Ų | 120.2 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | | | trans | 53.8 | 122.3 | 158 | 60.5 | 0 | 0 | 0 | 0 | 121 | | |
| 1239 | G | 28.7 | Very low | 30.5 | Very low | 69 Ų | 69 | 119.9 Ų | 119.9 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | | | trans | 136 | 119.6 | 153.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1240 | P | 27.9 | Very low | 30.8 | Very low | 133 Ų | 133 | 117.5 Ų | 117.5 | 86% | 0.864 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 140.1 | 169.1 | 30.5 | -33.2 | 0 | 0 | 0 | 110.7 | I1242 | P1240-I1242 PolarHBondContact O-N 2.73Š|
| 1241 | S | 27.2 | Very low | 31.6 | Very low | 119 Ų | 119 | 114.2 Ų | 114.2 | 83% | 0.832 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 126.5 | -175.4 | 52.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1242 | I | 28.3 | Very low | 32.3 | Very low | 138 Ų | 138 | 113 Ų | 113 | 71% | 0.708 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 137.1 | 171.4 | -61.4 | 173.2 | 0 | 0 | 0 | 109.2 | P1240 I1246 | P1240-I1242 PolarHBondContact O-N 2.73Å; I1242-I1246 HydrophobicContact CG2-CD1 4.04Å |
| 1243 | P | 28.5 | Very low | 33.2 | Very low | 94 Ų | 94 | 114.5 Ų | 114.5 | 61% | 0.61 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 145.9 | 179 | 27.2 | -35.4 | 0 | 0 | 0 | 112.5 | S1245 | P1243-S1245 PolarHBondContact O-N 2.8Š|
| 1244 | S | 29.4 | Very low | 34.1 | Very low | 115 Ų | 115 | 107.5 Ų | 107.5 | 80% | 0.804 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 30.2 | -173.1 | 59.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1245 | S | 31.3 | Very low | 35.3 | Very low | 42 Ų | 42 | 107 Ų | 107 | 29% | 0.294 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.3 | -5.8 | -176.5 | 60.4 | 0 | 0 | 0 | 0 | 114.5 | P1243 S1248 | P1243-S1245 PolarHBondContact O-N 2.8Å; S1245-S1248 PolarHBondContact O-OG 3.35Å |
| 1246 | I | 33.1 | Very low | 36.4 | Very low | 93 Ų | 93 | 102.7 Ų | 102.7 | 48% | 0.477 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -80.5 | -28.1 | -178.5 | -57.5 | 175.5 | 0 | 0 | 0 | 111.2 | I1242 S1248 D1249 I1250 | I1242-I1246 HydrophobicContact CG2-CD1 4.04Å; I1246-S1248 PolarHBondContact O-N 3.18Å; I1246-D1249 PolarHBondContact O-N 3.08Å; I1246-I1250 HydrophobicContact CG2-CD1 3.86Å; I1246-I1250 HydrophobicContact CG2-CG1 4.5Å; I1246-I1250 WeakPolarHBondContact O-CG1 3.43Å; I1246-I1250 PolarHBondContact O-N 3.42Å |
| 1247 | N | 34.1 | Very low | 37.5 | Very low | 123 Ų | 123 | 97.1 Ų | 97.1 | 66% | 0.658 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.9 | -30.2 | -178.5 | -70.7 | 13.4 | 0 | 0 | 0 | 112.9 | S1251 | N1247-S1251 WeakPolarHBondContact O-CB 3.4Å; N1247-S1251 PolarHBondContact O-N 3.49Å; N1247-S1251 PolarHBondContact O-OG 3.31Å |
| 1248 | S | 34.3 | Very low | 38.7 | Very low | 63 Ų | 63 | 93.2 Ų | 93.2 | 44% | 0.441 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.3 | -48.2 | 175.7 | 36.9 | 0 | 0 | 0 | 0 | 111.2 | S1245 I1246 I1250 S1251 F1252 | S1245-S1248 PolarHBondContact O-OG 3.35Å; I1246-S1248 PolarHBondContact O-N 3.18Å; S1248-I1250 PolarHBondContact O-N 3.5Å; S1248-S1251 PolarHBondContact O-N 2.66Å; S1248-S1251 VanDerWaalsContact O-N 3.15Å; S1248-S1251 PolarHBondContact O-OG 3.08Å; S1248-F1252 PolarHBondContact O-N 3.36Å |
| 1249 | D | 34 | Very low | 40.2 | Very low | 85 Ų | 85 | 93 Ų | 93 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.4 | -40.7 | -177.7 | -61.1 | -3.9 | 0 | 0 | 0 | 111.3 | I1246 F1252 W1253 | I1246-D1249 PolarHBondContact O-N 3.08Å; D1249-F1252 PolarHBondContact O-N 3.17Å; D1249-W1253 PolarHBondContact O-N 2.86Å |
| 1250 | I | 38.8 | Very low | 41.6 | Very low | 66 Ų | 66 | 95.4 Ų | 95.4 | 34% | 0.338 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 174.5 | -65.3 | 169.4 | 0 | 0 | 0 | 110.8 | I1246 S1248 F1252 W1253 G1254 V1297 | I1246-I1250 HydrophobicContact CG2-CD1 3.86Å; I1246-I1250 HydrophobicContact CG2-CG1 4.5Å; I1246-I1250 WeakPolarHBondContact O-CG1 3.43Å; I1246-I1250 PolarHBondContact O-N 3.42Å; S1248-I1250 PolarHBondContact O-N 3.5Å; I1250-F1252 VanDerWaalsContact C-N 3.34Å; I1250-W1253 PolarHBondContact O-N 3.21Å; I1250-G1254 PolarHBondContact O-N 2.95Å; I1250-V1297 HydrophobicContact CD1-CG1 3.98Å; I1250-V1297 HydrophobicContact CG2-CG1 4.03Å |
| 1251 | S | 44.1 | Very low | 43 | Very low | 65 Ų | 65 | 90 Ų | 90 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67 | -34.3 | 175.9 | 74.9 | 0 | 0 | 0 | 0 | 112.8 | N1247 S1248 G1254 H1255 | N1247-S1251 WeakPolarHBondContact O-CB 3.4Å; N1247-S1251 PolarHBondContact O-N 3.49Å; N1247-S1251 PolarHBondContact O-OG 3.31Å; S1248-S1251 PolarHBondContact O-N 2.66Å; S1248-S1251 VanDerWaalsContact O-N 3.15Å; S1248-S1251 PolarHBondContact O-OG 3.08Å; S1251-G1254 PolarHBondContact O-N 2.71Å; S1251-H1255 WeakPolarHBondContact O-CB 3.47Å; S1251-H1255 PolarHBondContact O-CD2 3.4Å; S1251-H1255 PolarHBondContact O-N 2.89Å |
| 1252 | F | 44.8 | Very low | 44.2 | Very low | 126 Ų | 126 | 88.2 Ų | 88.2 | 55% | 0.553 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.4 | -49.8 | 173.6 | 173.8 | -95.9 | 0 | 0 | 0 | 111.4 | S1248 D1249 I1250 G1254 H1255 L1256 | S1248-F1252 PolarHBondContact O-N 3.36Å; D1249-F1252 PolarHBondContact O-N 3.17Å; I1250-F1252 VanDerWaalsContact C-N 3.34Å; F1252-G1254 VanDerWaalsContact C-N 3.3Å; F1252-G1254 PolarHBondContact O-N 3.4Å; F1252-H1255 PolarHBondContact O-N 2.82Å; F1252-L1256 HydrophobicContact CE1-CD2 4.11Å; F1252-L1256 HydrophobicContact CZ-CD2 4.32Å; F1252-L1256 WeakPolarHBondContact O-CB 3.23Å; F1252-L1256 PolarHBondContact O-N 3.26Å |
| 1253 | W | 49.4 | Very low | 45.1 | Very low | 171 Ų | 171 | 85.4 Ų | 85.4 | 65% | 0.648 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63 | -36.4 | 175.3 | -78.2 | 107.7 | 0 | 0 | 0 | 112.4 | D1249 I1250 L1256 F1257 | D1249-W1253 PolarHBondContact O-N 2.86Å; I1250-W1253 PolarHBondContact O-N 3.21Å; W1253-L1256 HydrophobicContact CE3-CD2 4.12Å; W1253-L1256 HydrophobicContact CZ3-CD2 3.96Å; W1253-F1257 WeakPolarHBondContact O-CB 3.33Å; W1253-F1257 PolarHBondContact O-N 3.42Å |
| 1254 | G | 52.5 | Low | 46 | Very low | 14 Ų | 14 | 83 Ų | 83 | 14% | 0.144 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1250 S1251 F1252 N1258 | I1250-G1254 PolarHBondContact O-N 2.95Å; S1251-G1254 PolarHBondContact O-N 2.71Å; F1252-G1254 VanDerWaalsContact C-N 3.3Å; F1252-G1254 PolarHBondContact O-N 3.4Å; G1254-N1258 VanDerWaalsContact O-CB 3.27Å; G1254-N1258 WeakPolarHBondContact O-CB 3.43Å; G1254-N1258 PolarHBondContact O-N 2.6Å; G1254-N1258 PolarHBondContact O-ND2 2.93Å; G1254-N1258 VanDerWaalsContact O-ND2 3.11Å |
| 1255 | H | 56.1 | Low | 46.8 | Very low | 139 Ų | 139 | 79.8 Ų | 79.8 | 64% | 0.644 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.2 | -48.4 | 174.2 | -94.1 | -75.8 | 0 | 0 | 0 | 112.4 | S1251 F1252 F1257 N1258 E1259 | S1251-H1255 WeakPolarHBondContact O-CB 3.47Å; S1251-H1255 PolarHBondContact O-CD2 3.4Å; S1251-H1255 PolarHBondContact O-N 2.89Å; F1252-H1255 PolarHBondContact O-N 2.82Å; H1255-F1257 VanDerWaalsContact C-N 3.33Å; H1255-F1257 PolarHBondContact O-N 3Å; H1255-N1258 PolarHBondContact O-N 2.73Å; H1255-E1259 WeakPolarHBondContact O-CB 3.14Å; H1255-E1259 PolarHBondContact O-N 3.09Å |
| 1256 | L | 56.6 | Low | 47.5 | Very low | 73 Ų | 73 | 84 Ų | 84 | 38% | 0.382 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | -179.7 | -171.6 | 68.4 | 0 | 0 | 0 | 111.7 | F1252 W1253 F1260 | F1252-L1256 HydrophobicContact CE1-CD2 4.11Å; F1252-L1256 HydrophobicContact CZ-CD2 4.32Å; F1252-L1256 WeakPolarHBondContact O-CB 3.23Å; F1252-L1256 PolarHBondContact O-N 3.26Å; W1253-L1256 HydrophobicContact CE3-CD2 4.12Å; W1253-L1256 HydrophobicContact CZ3-CD2 3.96Å; L1256-F1260 VanDerWaalsContact O-CB 3.25Å; L1256-F1260 WeakPolarHBondContact O-CB 3.41Å; L1256-F1260 PolarHBondContact O-N 3.03Å |
| 1257 | F | 50.8 | Low | 48 | Very low | 33 Ų | 33 | 86.7 Ų | 86.7 | 15% | 0.145 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69 | -43 | 173.6 | -178.6 | -108.7 | 0 | 0 | 0 | 112.1 | W1253 H1255 E1259 F1260 M1261 F1286 M1290 | W1253-F1257 WeakPolarHBondContact O-CB 3.33Å; W1253-F1257 PolarHBondContact O-N 3.42Å; H1255-F1257 VanDerWaalsContact C-N 3.33Å; H1255-F1257 PolarHBondContact O-N 3Å; F1257-E1259 VanDerWaalsContact C-N 3.31Å; F1257-E1259 PolarHBondContact O-N 3.1Å; F1257-F1260 HydrophobicContact CD2-CD1 4.33Å; F1257-F1260 HydrophobicContact CE2-CD1 4.4Å; F1257-F1260 PolarHBondContact O-N 3.28Å; F1257-M1261 HydrophobicContact CD1-CG 4.17Å; F1257-M1261 HydrophobicContact CD2-CG 3.98Å; F1257-M1261 HydrophobicContact CE1-CG 3.68Å; F1257-M1261 HydrophobicContact CE2-CG 3.46Å; F1257-M1261 VanDerWaalsContact CE2-CG 3.46Å; F1257-M1261 HydrophobicContact CE2-SD 3.66Å; F1257-M1261 HydrophobicContact CG-CG 4.32Å; F1257-M1261 HydrophobicContact CZ-CE 4.24Å; F1257-M1261 HydrophobicContact CZ-CG 3.3Å; F1257-M1261 HydrophobicContact CZ-SD 3.73Å; F1257-M1261 WeakPolarHBondContact O-CB 3.36Å; F1257-M1261 VanDerWaalsContact O-CG 3.3Å; F1257-M1261 WeakPolarHBondContact O-CG 3.23Å; F1257-M1261 PolarHBondContact O-N 3.19Å; F1257-F1286 HydrophobicContact CE2-CE1 4.39Å; F1257-M1290 HydrophobicContact CD1-SD 3.74Å; F1257-M1290 HydrophobicContact CD2-CE 4.02Å; F1257-M1290 HydrophobicContact CD2-SD 3.6Å; F1257-M1290 VanDerWaalsContact CD2-SD 3.6Å; F1257-M1290 HydrophobicContact CE1-CB 4.22Å; F1257-M1290 HydrophobicContact CE1-CE 4.33Å; F1257-M1290 HydrophobicContact CE1-CG 4.29Å; F1257-M1290 HydrophobicContact CE1-SD 3.54Å; F1257-M1290 VanDerWaalsContact CE1-SD 3.54Å; F1257-M1290 HydrophobicContact CE2-CE 3.37Å; F1257-M1290 HydrophobicContact CE2-SD 3.41Å; F1257-M1290 WeakPolarHBondContact CE2-SD 3.43Å; F1257-M1290 HydrophobicContact CG-SD 3.76Å; F1257-M1290 HydrophobicContact CZ-CB 4.22Å; F1257-M1290 HydrophobicContact CZ-CE 3.54Å; F1257-M1290 HydrophobicContact CZ-CG 4.36Å; F1257-M1290 HydrophobicContact CZ-SD 3.37Å; F1257-M1290 WeakPolarHBondContact CZ-SD 3.29Å |
| 1258 | N | 55.3 | Low | 48.3 | Very low | 76 Ų | 76 | 84.5 Ų | 84.5 | 41% | 0.406 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 174.8 | -77.4 | -29.4 | 0 | 0 | 0 | 111.7 | G1254 H1255 N1262 | G1254-N1258 VanDerWaalsContact O-CB 3.27Å; G1254-N1258 WeakPolarHBondContact O-CB 3.43Å; G1254-N1258 PolarHBondContact O-N 2.6Å; G1254-N1258 PolarHBondContact O-ND2 2.93Å; G1254-N1258 VanDerWaalsContact O-ND2 3.11Å; H1255-N1258 PolarHBondContact O-N 2.73Å; N1258-N1262 VanDerWaalsContact O-CB 3.22Å; N1258-N1262 WeakPolarHBondContact O-CB 2.98Å; N1258-N1262 VanDerWaalsContact O-CG 3.27Å; N1258-N1262 PolarHBondContact O-N 3.3Å; N1258-N1262 PolarHBondContact O-ND2 2.8Å |
| 1259 | E | 59.8 | Low | 48.7 | Very low | 116 Ų | 116 | 88.3 Ų | 88.3 | 54% | 0.542 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.8 | -47.3 | 174.4 | -176.4 | 170.1 | -168.8 | 0 | 0 | 111.5 | H1255 F1257 M1261 N1262 N1263 | H1255-E1259 WeakPolarHBondContact O-CB 3.14Å; H1255-E1259 PolarHBondContact O-N 3.09Å; F1257-E1259 VanDerWaalsContact C-N 3.31Å; F1257-E1259 PolarHBondContact O-N 3.1Å; E1259-M1261 PolarHBondContact O-N 3.37Å; E1259-N1262 PolarHBondContact O-N 2.97Å; E1259-N1263 PolarHBondContact O-N 3.47Å; E1259-N1263 PolarHBondContact O-ND2 3.42Å |
| 1260 | F | 57.6 | Low | 49.1 | Very low | 120 Ų | 120 | 91 Ų | 91 | 53% | 0.526 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -53.6 | -50.8 | 173.4 | 178 | -107.7 | 0 | 0 | 0 | 111.2 | L1256 F1257 N1262 N1263 L1264 | L1256-F1260 VanDerWaalsContact O-CB 3.25Å; L1256-F1260 WeakPolarHBondContact O-CB 3.41Å; L1256-F1260 PolarHBondContact O-N 3.03Å; F1257-F1260 HydrophobicContact CD2-CD1 4.33Å; F1257-F1260 HydrophobicContact CE2-CD1 4.4Å; F1257-F1260 PolarHBondContact O-N 3.28Å; F1260-N1262 PolarHBondContact O-N 2.93Å; F1260-N1263 PolarHBondContact O-N 2.77Å; F1260-L1264 HydrophobicContact CD1-CD1 4.19Å; F1260-L1264 HydrophobicContact CE1-CD1 3.51Å; F1260-L1264 HydrophobicContact CE2-CD1 4.07Å; F1260-L1264 HydrophobicContact CZ-CD1 3.45Å; F1260-L1264 VanDerWaalsContact CZ-CD1 3.45Å; F1260-L1264 VanDerWaalsContact O-CB 3.31Å; F1260-L1264 WeakPolarHBondContact O-CB 3.37Å; F1260-L1264 PolarHBondContact O-N 3.48Å |
| 1261 | M | 56.4 | Low | 49.3 | Very low | 18 Ų | 18 | 91.4 Ų | 91.4 | 9% | 0.089 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -71.1 | -28.3 | 179.6 | -63.4 | -56.5 | -76.7 | 0 | 0 | 113.6 | F1257 E1259 S1265 Y1287 | F1257-M1261 HydrophobicContact CD1-CG 4.17Å; F1257-M1261 HydrophobicContact CD2-CG 3.98Å; F1257-M1261 HydrophobicContact CE1-CG 3.68Å; F1257-M1261 HydrophobicContact CE2-CG 3.46Å; F1257-M1261 VanDerWaalsContact CE2-CG 3.46Å; F1257-M1261 HydrophobicContact CE2-SD 3.66Å; F1257-M1261 HydrophobicContact CG-CG 4.32Å; F1257-M1261 HydrophobicContact CZ-CE 4.24Å; F1257-M1261 HydrophobicContact CZ-CG 3.3Å; F1257-M1261 HydrophobicContact CZ-SD 3.73Å; F1257-M1261 WeakPolarHBondContact O-CB 3.36Å; F1257-M1261 VanDerWaalsContact O-CG 3.3Å; F1257-M1261 WeakPolarHBondContact O-CG 3.23Å; F1257-M1261 PolarHBondContact O-N 3.19Å; E1259-M1261 PolarHBondContact O-N 3.37Å; M1261-S1265 VanDerWaalsContact O-CB 3.3Å; M1261-S1265 WeakPolarHBondContact O-CB 3.37Å; M1261-S1265 PolarHBondContact O-N 3.5Å; M1261-S1265 PolarHBondContact O-OG 2.96Å; M1261-Y1287 HydrophobicContact CE-CD2 3.48Å; M1261-Y1287 VanDerWaalsContact CE-CD2 3.48Å; M1261-Y1287 HydrophobicContact CE-CE2 3.78Å |
| 1262 | N | 52.9 | Low | 49.1 | Very low | 83 Ų | 83 | 91.2 Ų | 91.2 | 44% | 0.444 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -70.1 | -33.1 | 171.3 | -85.5 | -57.3 | 0 | 0 | 0 | 112.4 | N1258 E1259 F1260 S1265 K1266 | N1258-N1262 VanDerWaalsContact O-CB 3.22Å; N1258-N1262 WeakPolarHBondContact O-CB 2.98Å; N1258-N1262 VanDerWaalsContact O-CG 3.27Å; N1258-N1262 PolarHBondContact O-N 3.3Å; N1258-N1262 PolarHBondContact O-ND2 2.8Å; E1259-N1262 PolarHBondContact O-N 2.97Å; F1260-N1262 PolarHBondContact O-N 2.93Å; N1262-S1265 WeakPolarHBondContact CA-OG 3.38Å; N1262-S1265 PolarHBondContact O-OG 3.13Å; N1262-K1266 WeakPolarHBondContact O-CB 3.48Å; N1262-K1266 VanDerWaalsContact O-CD 3.28Å; N1262-K1266 WeakPolarHBondContact O-CD 3.44Å; N1262-K1266 WeakPolarHBondContact O-CG 3.41Å; N1262-K1266 PolarHBondContact O-N 3Å |
| 1263 | N | 47.7 | Very low | 49 | Very low | 78 Ų | 78 | 90.6 Ų | 90.6 | 42% | 0.417 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -79.2 | -41.7 | 174.8 | -67.9 | -24.1 | 0 | 0 | 0 | 110.9 | E1259 F1260 S1265 K1266 E1267 | E1259-N1263 PolarHBondContact O-N 3.47Å; E1259-N1263 PolarHBondContact O-ND2 3.42Å; F1260-N1263 PolarHBondContact O-N 2.77Å; N1263-S1265 PolarHBondContact O-N 3.19Å; N1263-K1266 PolarHBondContact O-N 2.84Å; N1263-E1267 PolarHBondContact O-N 3.5Å |
| 1264 | L | 47.9 | Very low | 48.6 | Very low | 43 Ų | 43 | 86.9 Ų | 86.9 | 23% | 0.225 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 175.2 | -138.6 | 154.3 | 0 | 0 | 0 | 110.9 | F1260 K1266 E1267 F1268 | F1260-L1264 HydrophobicContact CD1-CD1 4.19Å; F1260-L1264 HydrophobicContact CE1-CD1 3.51Å; F1260-L1264 HydrophobicContact CE2-CD1 4.07Å; F1260-L1264 HydrophobicContact CZ-CD1 3.45Å; F1260-L1264 VanDerWaalsContact CZ-CD1 3.45Å; F1260-L1264 VanDerWaalsContact O-CB 3.31Å; F1260-L1264 WeakPolarHBondContact O-CB 3.37Å; F1260-L1264 PolarHBondContact O-N 3.48Å; L1264-K1266 PolarHBondContact O-N 3.45Å; L1264-E1267 PolarHBondContact O-N 3.26Å; L1264-F1268 HydrophobicContact CD2-CB 3.96Å; L1264-F1268 HydrophobicContact CD2-CD2 3.77Å; L1264-F1268 HydrophobicContact CD2-CE2 4.39Å; L1264-F1268 HydrophobicContact CD2-CG 3.97Å; L1264-F1268 WeakPolarHBondContact O-CA 3.39Å; L1264-F1268 WeakPolarHBondContact O-CB 3.31Å; L1264-F1268 PolarHBondContact O-N 3.23Å |
| 1265 | S | 45.7 | Very low | 48.1 | Very low | 49 Ų | 49 | 87.3 Ų | 87.3 | 34% | 0.343 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 173.7 | 51.9 | 0 | 0 | 0 | 0 | 112.7 | M1261 N1262 N1263 L1269 | M1261-S1265 VanDerWaalsContact O-CB 3.3Å; M1261-S1265 WeakPolarHBondContact O-CB 3.37Å; M1261-S1265 PolarHBondContact O-N 3.5Å; M1261-S1265 PolarHBondContact O-OG 2.96Å; N1262-S1265 WeakPolarHBondContact CA-OG 3.38Å; N1262-S1265 PolarHBondContact O-OG 3.13Å; N1263-S1265 PolarHBondContact O-N 3.19Å; S1265-L1269 WeakPolarHBondContact O-CB 3.33Å; S1265-L1269 WeakPolarHBondContact O-CD1 3.36Å; S1265-L1269 WeakPolarHBondContact O-CG 3.45Å; S1265-L1269 PolarHBondContact O-N 2.93Å |
| 1266 | K | 45.1 | Very low | 47.5 | Very low | 131 Ų | 131 | 88 Ų | 88 | 57% | 0.57 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -68.3 | -35.4 | 178.2 | -74.7 | 169.7 | -169 | 167.9 | 0 | 114.1 | N1262 N1263 L1264 N1270 | N1262-K1266 WeakPolarHBondContact O-CB 3.48Å; N1262-K1266 VanDerWaalsContact O-CD 3.28Å; N1262-K1266 WeakPolarHBondContact O-CD 3.44Å; N1262-K1266 WeakPolarHBondContact O-CG 3.41Å; N1262-K1266 PolarHBondContact O-N 3Å; N1263-K1266 PolarHBondContact O-N 2.84Å; L1264-K1266 PolarHBondContact O-N 3.45Å; K1266-N1270 PolarHBondContact O-ND2 2.66Å |
| 1267 | E | 44.9 | Very low | 47.1 | Very low | 149 Ų | 149 | 91.1 Ų | 91.1 | 70% | 0.696 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -85.7 | -43.7 | 178.1 | -66.5 | -164 | 141 | 0 | 0 | 112.3 | N1263 L1264 N1270 S1271 | N1263-E1267 PolarHBondContact O-N 3.5Å; L1264-E1267 PolarHBondContact O-N 3.26Å; E1267-N1270 PolarHBondContact O-N 3.45Å; E1267-S1271 VanDerWaalsContact O-CB 3.29Å; E1267-S1271 WeakPolarHBondContact O-CB 3.49Å; E1267-S1271 PolarHBondContact O-N 3.5Å; E1267-S1271 VanDerWaalsContact O-N 3.16Å; E1267-S1271 PolarHBondContact O-OG 3.16Å |
| 1268 | F | 40.3 | Very low | 46.8 | Very low | 77 Ų | 77 | 94.3 Ų | 94.3 | 34% | 0.338 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -74 | -34.3 | -172.4 | -145.9 | -94.1 | 0 | 0 | 0 | 112.3 | L1264 N1270 I1272 | L1264-F1268 HydrophobicContact CD2-CB 3.96Å; L1264-F1268 HydrophobicContact CD2-CD2 3.77Å; L1264-F1268 HydrophobicContact CD2-CE2 4.39Å; L1264-F1268 HydrophobicContact CD2-CG 3.97Å; L1264-F1268 WeakPolarHBondContact O-CA 3.39Å; L1264-F1268 WeakPolarHBondContact O-CB 3.31Å; L1264-F1268 PolarHBondContact O-N 3.23Å; F1268-N1270 VanDerWaalsContact C-N 3.27Å; F1268-N1270 PolarHBondContact O-N 2.92Å; F1268-I1272 HydrophobicContact CD1-CD1 4.03Å; F1268-I1272 HydrophobicContact CD2-CD1 4.12Å; F1268-I1272 HydrophobicContact CE1-CD1 3.74Å; F1268-I1272 HydrophobicContact CE2-CD1 3.84Å; F1268-I1272 HydrophobicContact CG-CD1 4.21Å; F1268-I1272 HydrophobicContact CZ-CD1 3.65Å |
| 1269 | L | 41.6 | Very low | 46.4 | Very low | 143 Ų | 143 | 95.9 Ų | 95.9 | 75% | 0.749 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.7 | -19.9 | 172.3 | -66.4 | 172.6 | 0 | 0 | 0 | 113.4 | S1265 | S1265-L1269 WeakPolarHBondContact O-CB 3.33Å; S1265-L1269 WeakPolarHBondContact O-CD1 3.36Å; S1265-L1269 WeakPolarHBondContact O-CG 3.45Å; S1265-L1269 PolarHBondContact O-N 2.93Å |
| 1270 | N | 43.6 | Very low | 46.1 | Very low | 141 Ų | 141 | 94.7 Ų | 94.7 | 75% | 0.754 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -101.3 | -5.4 | -178.8 | -78 | -58.1 | 0 | 0 | 0 | 114 | K1266 E1267 F1268 | K1266-N1270 PolarHBondContact O-ND2 2.66Å; E1267-N1270 PolarHBondContact O-N 3.45Å; F1268-N1270 VanDerWaalsContact C-N 3.27Å; F1268-N1270 PolarHBondContact O-N 2.92Å |
| 1271 | S | 41.9 | Very low | 45.9 | Very low | 75 Ų | 75 | 90.9 Ų | 90.9 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -121.2 | -12.1 | -169.9 | 56.3 | 0 | 0 | 0 | 0 | 116.1 | E1267 | E1267-S1271 VanDerWaalsContact O-CB 3.29Å; E1267-S1271 WeakPolarHBondContact O-CB 3.49Å; E1267-S1271 PolarHBondContact O-N 3.5Å; E1267-S1271 VanDerWaalsContact O-N 3.16Å; E1267-S1271 PolarHBondContact O-OG 3.16Å |
| 1272 | I | 40.8 | Very low | 45.8 | Very low | 61 Ų | 61 | 94.4 Ų | 94.4 | 31% | 0.313 | 50% | 0.503 | S | S | . | . | | | trans | -131.4 | 91.8 | -175.1 | -42.8 | -177.6 | 0 | 0 | 0 | 112.1 | F1268 D1274 C1275 | F1268-I1272 HydrophobicContact CD1-CD1 4.03Å; F1268-I1272 HydrophobicContact CD2-CD1 4.12Å; F1268-I1272 HydrophobicContact CE1-CD1 3.74Å; F1268-I1272 HydrophobicContact CE2-CD1 3.84Å; F1268-I1272 HydrophobicContact CG-CD1 4.21Å; F1268-I1272 HydrophobicContact CZ-CD1 3.65Å; I1272-D1274 PolarHBondContact O-N 2.96Å; I1272-C1275 HydrophobicContact CB-CB 4.21Å; I1272-C1275 HydrophobicContact CG2-CB 3.79Å |
| 1273 | P | 41.7 | Very low | 45.8 | Very low | 113 Ų | 113 | 93.7 Ų | 93.7 | 73% | 0.734 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -26.4 | 170 | -21.4 | 34.2 | 0 | 0 | 0 | 113.6 | | |
| 1274 | D | 42.1 | Very low | 46.1 | Very low | 93 Ų | 93 | 96.3 Ų | 96.3 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 28.1 | -170.5 | -58.1 | -73.7 | 0 | 0 | 0 | 113.8 | I1272 K1276 | I1272-D1274 PolarHBondContact O-N 2.96Å; D1274-K1276 PolarHBondContact O-N 3.34Å |
| 1275 | C | 40.9 | Very low | 46.4 | Very low | 23 Ų | 23 | 98.9 Ų | 98.9 | 16% | 0.155 | 52% | 0.523 | C | S | . | . | | | trans | -73.8 | 86 | -179.1 | -166.5 | 0 | 0 | 0 | 0 | 110.8 | I1272 | I1272-C1275 HydrophobicContact CB-CB 4.21Å; I1272-C1275 HydrophobicContact CG2-CB 3.79Å |
| 1276 | K | 44.2 | Very low | 46.9 | Very low | 153 Ų | 153 | 101.7 Ų | 101.7 | 67% | 0.665 | 53% | 0.529 | S | S | * | . | | | trans | -49.2 | 141.4 | -178.6 | -62.6 | -175.4 | 178.5 | -174.4 | 0 | 111.9 | D1274 T1278 Q1279 | D1274-K1276 PolarHBondContact O-N 3.34Å; K1276-T1278 PolarHBondContact O-N 2.99Å; K1276-Q1279 PolarHBondContact O-N 3.34Å |
| 1277 | D | 47 | Very low | 47 | Very low | 139 Ų | 139 | 101.3 Ų | 101.3 | 74% | 0.743 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -47.9 | -33.2 | -172.5 | -50.2 | -67.8 | 0 | 0 | 0 | 114 | Q1279 L1280 A1281 | D1277-Q1279 PolarHBondContact O-N 2.73Å; D1277-L1280 PolarHBondContact O-N 2.76Å; D1277-A1281 VanDerWaalsContact O-CB 3.25Å; D1277-A1281 WeakPolarHBondContact O-CB 3.01Å; D1277-A1281 PolarHBondContact O-N 3.12Å |
| 1278 | T | 44.9 | Very low | 47.4 | Very low | 99 Ų | 99 | 96.7 Ų | 96.7 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.6 | -40.5 | 177 | -33.1 | 0 | 0 | 0 | 0 | 113.2 | K1276 I1282 | K1276-T1278 PolarHBondContact O-N 2.99Å; T1278-I1282 HydrophobicContact CG2-CD1 4.37Å; T1278-I1282 WeakPolarHBondContact O-CB 3.18Å; T1278-I1282 WeakPolarHBondContact O-CD1 3.38Å; T1278-I1282 WeakPolarHBondContact O-CG1 3.29Å; T1278-I1282 PolarHBondContact O-N 3.34Å |
| 1279 | Q | 46.8 | Very low | 47.9 | Very low | 110 Ų | 110 | 97.7 Ų | 97.7 | 51% | 0.514 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73 | -40.2 | 178.3 | -71.3 | -175.5 | -19.9 | 0 | 0 | 111 | K1276 D1277 I1282 L1283 | K1276-Q1279 PolarHBondContact O-N 3.34Å; D1277-Q1279 PolarHBondContact O-N 2.73Å; Q1279-I1282 PolarHBondContact O-N 3.47Å; Q1279-L1283 PolarHBondContact O-N 3.39Å |
| 1280 | L | 54.8 | Low | 48 | Very low | 90 Ų | 90 | 92.9 Ų | 92.9 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 172.4 | -109.6 | 159.8 | 0 | 0 | 0 | 111.6 | D1277 I1282 L1283 Q1284 | D1277-L1280 PolarHBondContact O-N 2.76Å; L1280-I1282 PolarHBondContact O-N 2.95Å; L1280-L1283 WeakPolarHBondContact O-CB 3.18Å; L1280-L1283 PolarHBondContact O-N 2.91Å; L1280-Q1284 VanDerWaalsContact O-CB 3.29Å; L1280-Q1284 WeakPolarHBondContact O-CB 3.5Å; L1280-Q1284 PolarHBondContact O-N 3.11Å |
| 1281 | A | 51.7 | Low | 48.2 | Very low | 40 Ų | 40 | 88.5 Ų | 88.5 | 33% | 0.331 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.5 | -34.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1277 Q1284 N1285 | D1277-A1281 VanDerWaalsContact O-CB 3.25Å; D1277-A1281 WeakPolarHBondContact O-CB 3.01Å; D1277-A1281 PolarHBondContact O-N 3.12Å; A1281-Q1284 PolarHBondContact O-N 2.93Å; A1281-N1285 WeakPolarHBondContact O-CB 3.34Å; A1281-N1285 PolarHBondContact O-N 2.94Å; A1281-N1285 PolarHBondContact O-ND2 3.31Å |
| 1282 | I | 55.4 | Low | 48.4 | Very low | 92 Ų | 92 | 91.3 Ų | 91.3 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 171.9 | -72.9 | 163.9 | 0 | 0 | 0 | 110.2 | T1278 Q1279 L1280 Q1284 N1285 F1286 | T1278-I1282 HydrophobicContact CG2-CD1 4.37Å; T1278-I1282 WeakPolarHBondContact O-CB 3.18Å; T1278-I1282 WeakPolarHBondContact O-CD1 3.38Å; T1278-I1282 WeakPolarHBondContact O-CG1 3.29Å; T1278-I1282 PolarHBondContact O-N 3.34Å; Q1279-I1282 PolarHBondContact O-N 3.47Å; L1280-I1282 PolarHBondContact O-N 2.95Å; I1282-Q1284 VanDerWaalsContact C-N 3.34Å; I1282-Q1284 PolarHBondContact O-N 2.95Å; I1282-N1285 PolarHBondContact O-N 3.49Å; I1282-F1286 WeakPolarHBondContact O-CB 3.29Å; I1282-F1286 PolarHBondContact O-N 3.07Å |
| 1283 | L | 53.1 | Low | 48.5 | Very low | 68 Ų | 68 | 92.9 Ų | 92.9 | 36% | 0.356 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 175.3 | -126 | 81.3 | 0 | 0 | 0 | 111.7 | Q1279 L1280 F1286 Y1287 | Q1279-L1283 PolarHBondContact O-N 3.39Å; L1280-L1283 WeakPolarHBondContact O-CB 3.18Å; L1280-L1283 PolarHBondContact O-N 2.91Å; L1283-F1286 PolarHBondContact O-N 2.88Å; L1283-Y1287 WeakPolarHBondContact O-CB 3.2Å; L1283-Y1287 PolarHBondContact O-N 3.3Å |
| 1284 | Q | 54.2 | Low | 48.5 | Very low | 133 Ų | 133 | 90.2 Ų | 90.2 | 62% | 0.621 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -70 | -36.2 | -177.8 | -165.3 | 174.5 | 29.4 | 0 | 0 | 112.5 | L1280 A1281 I1282 S1288 | L1280-Q1284 VanDerWaalsContact O-CB 3.29Å; L1280-Q1284 WeakPolarHBondContact O-CB 3.5Å; L1280-Q1284 PolarHBondContact O-N 3.11Å; A1281-Q1284 PolarHBondContact O-N 2.93Å; I1282-Q1284 VanDerWaalsContact C-N 3.34Å; I1282-Q1284 PolarHBondContact O-N 2.95Å; Q1284-S1288 WeakPolarHBondContact O-CB 3.47Å; Q1284-S1288 PolarHBondContact O-N 3.46Å; Q1284-S1288 PolarHBondContact O-OG 2.83Å |
| 1285 | N | 54.5 | Low | 48.4 | Very low | 98 Ų | 98 | 90.1 Ų | 90.1 | 52% | 0.524 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.8 | -43.6 | 170.9 | -82.3 | -53 | 0 | 0 | 0 | 111.7 | A1281 I1282 Y1287 S1288 Q1289 | A1281-N1285 WeakPolarHBondContact O-CB 3.34Å; A1281-N1285 PolarHBondContact O-N 2.94Å; A1281-N1285 PolarHBondContact O-ND2 3.31Å; I1282-N1285 PolarHBondContact O-N 3.49Å; N1285-Y1287 PolarHBondContact O-N 3.38Å; N1285-S1288 PolarHBondContact O-N 3.38Å; N1285-Q1289 WeakPolarHBondContact O-CG 3.44Å; N1285-Q1289 PolarHBondContact O-N 2.88Å |
| 1286 | F | 54.9 | Low | 48.3 | Very low | 108 Ų | 108 | 91.9 Ų | 91.9 | 47% | 0.474 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 175.4 | -175.9 | -106.8 | 0 | 0 | 0 | 111.7 | F1257 I1282 L1283 S1288 Q1289 M1290 | F1257-F1286 HydrophobicContact CE2-CE1 4.39Å; I1282-F1286 WeakPolarHBondContact O-CB 3.29Å; I1282-F1286 PolarHBondContact O-N 3.07Å; L1283-F1286 PolarHBondContact O-N 2.88Å; F1286-S1288 VanDerWaalsContact C-N 3.34Å; F1286-S1288 PolarHBondContact O-N 2.8Å; F1286-Q1289 PolarHBondContact O-N 3.28Å; F1286-M1290 HydrophobicContact CD1-CE 4.33Å; F1286-M1290 HydrophobicContact CE1-CE 3.46Å; F1286-M1290 VanDerWaalsContact CE1-CE 3.46Å; F1286-M1290 HydrophobicContact CE2-CE 3.97Å; F1286-M1290 HydrophobicContact CZ-CE 3.25Å; F1286-M1290 PolarHBondContact O-N 3.39Å |
| 1287 | Y | 48.3 | Very low | 48.1 | Very low | 122 Ų | 122 | 86.5 Ų | 86.5 | 48% | 0.478 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 173.5 | -155.3 | -71.2 | 0 | 0 | 0 | 111.7 | M1261 L1283 N1285 M1290 S1291 | M1261-Y1287 HydrophobicContact CE-CD2 3.48Å; M1261-Y1287 VanDerWaalsContact CE-CD2 3.48Å; M1261-Y1287 HydrophobicContact CE-CE2 3.78Å; L1283-Y1287 WeakPolarHBondContact O-CB 3.2Å; L1283-Y1287 PolarHBondContact O-N 3.3Å; N1285-Y1287 PolarHBondContact O-N 3.38Å; Y1287-M1290 PolarHBondContact O-N 3.24Å; Y1287-S1291 VanDerWaalsContact O-CB 3.24Å; Y1287-S1291 WeakPolarHBondContact O-CB 3.48Å; Y1287-S1291 PolarHBondContact O-N 3.09Å |
| 1288 | S | 52.9 | Low | 47.8 | Very low | 53 Ų | 53 | 86.4 Ų | 86.4 | 37% | 0.371 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 179.1 | -60 | 0 | 0 | 0 | 0 | 112 | Q1284 N1285 F1286 S1291 Q1292 | Q1284-S1288 WeakPolarHBondContact O-CB 3.47Å; Q1284-S1288 PolarHBondContact O-N 3.46Å; Q1284-S1288 PolarHBondContact O-OG 2.83Å; N1285-S1288 PolarHBondContact O-N 3.38Å; F1286-S1288 VanDerWaalsContact C-N 3.34Å; F1286-S1288 PolarHBondContact O-N 2.8Å; S1288-S1291 PolarHBondContact O-N 2.96Å; S1288-Q1292 VanDerWaalsContact O-CG 3.31Å; S1288-Q1292 WeakPolarHBondContact O-CG 3.48Å; S1288-Q1292 PolarHBondContact O-N 3.33Å |
| 1289 | Q | 49.6 | Very low | 47.4 | Very low | 98 Ų | 98 | 88.3 Ų | 88.3 | 46% | 0.458 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 177 | -70.9 | 178.8 | 18.1 | 0 | 0 | 112.1 | N1285 F1286 Q1292 M1293 | N1285-Q1289 WeakPolarHBondContact O-CG 3.44Å; N1285-Q1289 PolarHBondContact O-N 2.88Å; F1286-Q1289 PolarHBondContact O-N 3.28Å; Q1289-Q1292 PolarHBondContact O-N 2.85Å; Q1289-M1293 PolarHBondContact O-N 2.91Å |
| 1290 | M | 45.4 | Very low | 46.6 | Very low | 41 Ų | 41 | 86.6 Ų | 86.6 | 20% | 0.202 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -72.1 | -31.3 | 178.8 | -138.9 | -176.9 | -60.7 | 0 | 0 | 112.7 | F1257 F1286 Y1287 M1293 N1294 | F1257-M1290 HydrophobicContact CD1-SD 3.74Å; F1257-M1290 HydrophobicContact CD2-CE 4.02Å; F1257-M1290 HydrophobicContact CD2-SD 3.6Å; F1257-M1290 VanDerWaalsContact CD2-SD 3.6Å; F1257-M1290 HydrophobicContact CE1-CB 4.22Å; F1257-M1290 HydrophobicContact CE1-CE 4.33Å; F1257-M1290 HydrophobicContact CE1-CG 4.29Å; F1257-M1290 HydrophobicContact CE1-SD 3.54Å; F1257-M1290 VanDerWaalsContact CE1-SD 3.54Å; F1257-M1290 HydrophobicContact CE2-CE 3.37Å; F1257-M1290 HydrophobicContact CE2-SD 3.41Å; F1257-M1290 WeakPolarHBondContact CE2-SD 3.43Å; F1257-M1290 HydrophobicContact CG-SD 3.76Å; F1257-M1290 HydrophobicContact CZ-CB 4.22Å; F1257-M1290 HydrophobicContact CZ-CE 3.54Å; F1257-M1290 HydrophobicContact CZ-CG 4.36Å; F1257-M1290 HydrophobicContact CZ-SD 3.37Å; F1257-M1290 WeakPolarHBondContact CZ-SD 3.29Å; F1286-M1290 HydrophobicContact CD1-CE 4.33Å; F1286-M1290 HydrophobicContact CE1-CE 3.46Å; F1286-M1290 VanDerWaalsContact CE1-CE 3.46Å; F1286-M1290 HydrophobicContact CE2-CE 3.97Å; F1286-M1290 HydrophobicContact CZ-CE 3.25Å; F1286-M1290 PolarHBondContact O-N 3.39Å; Y1287-M1290 PolarHBondContact O-N 3.24Å; M1290-M1293 HydrophobicContact CB-CE 4.35Å; M1290-M1293 HydrophobicContact CG-CE 3.75Å; M1290-M1293 PolarHBondContact O-N 3.35Å; M1290-N1294 PolarHBondContact O-N 2.83Å |
| 1291 | S | 47.1 | Very low | 45.5 | Very low | 49 Ų | 49 | 84.5 Ų | 84.5 | 34% | 0.343 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 168.5 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | Y1287 S1288 N1294 N1295 | Y1287-S1291 VanDerWaalsContact O-CB 3.24Å; Y1287-S1291 WeakPolarHBondContact O-CB 3.48Å; Y1287-S1291 PolarHBondContact O-N 3.09Å; S1288-S1291 PolarHBondContact O-N 2.96Å; S1291-N1294 PolarHBondContact O-N 2.84Å; S1291-N1295 WeakPolarHBondContact O-CB 3.29Å; S1291-N1295 PolarHBondContact O-N 3.35Å; S1291-N1295 PolarHBondContact O-ND2 3.26Å; S1291-N1295 PolarHBondContact OG-ND2 2.93Å |
| 1292 | Q | 46.5 | Very low | 44.4 | Very low | 134 Ų | 134 | 88.4 Ų | 88.4 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.4 | -36.6 | 174.4 | -72.8 | 171.3 | 20.5 | 0 | 0 | 112.5 | S1288 Q1289 S1296 | S1288-Q1292 VanDerWaalsContact O-CG 3.31Å; S1288-Q1292 WeakPolarHBondContact O-CG 3.48Å; S1288-Q1292 PolarHBondContact O-N 3.33Å; Q1289-Q1292 PolarHBondContact O-N 2.85Å; Q1292-S1296 WeakPolarHBondContact O-CB 3.25Å; Q1292-S1296 PolarHBondContact O-N 2.9Å; Q1292-S1296 PolarHBondContact O-OG 3.07Å |
| 1293 | M | 41.6 | Very low | 43.3 | Very low | 95 Ų | 95 | 90.8 Ų | 90.8 | 47% | 0.468 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.6 | -48.5 | 173.4 | -71.5 | -169.1 | -69.2 | 0 | 0 | 111.9 | Q1289 M1290 N1295 S1296 V1297 | Q1289-M1293 PolarHBondContact O-N 2.91Å; M1290-M1293 HydrophobicContact CB-CE 4.35Å; M1290-M1293 HydrophobicContact CG-CE 3.75Å; M1290-M1293 PolarHBondContact O-N 3.35Å; M1293-N1295 VanDerWaalsContact C-N 3.34Å; M1293-N1295 PolarHBondContact O-N 3.03Å; M1293-S1296 WeakPolarHBondContact CA-OG 3.45Å; M1293-S1296 PolarHBondContact O-N 3.09Å; M1293-S1296 PolarHBondContact O-OG 2.93Å; M1293-S1296 VanDerWaalsContact O-OG 3.05Å; M1293-V1297 WeakPolarHBondContact O-CB 3.4Å; M1293-V1297 VanDerWaalsContact O-CG2 3.28Å; M1293-V1297 WeakPolarHBondContact O-CG2 3.28Å; M1293-V1297 PolarHBondContact O-N 3Å |
| 1294 | N | 43.1 | Very low | 42.3 | Very low | 57 Ų | 57 | 92.1 Ų | 92.1 | 31% | 0.305 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 176.7 | -78.5 | -18.5 | 0 | 0 | 0 | 112.5 | M1290 S1291 L1298 | M1290-N1294 PolarHBondContact O-N 2.83Å; S1291-N1294 PolarHBondContact O-N 2.84Å; N1294-L1298 WeakPolarHBondContact O-CB 3.4Å; N1294-L1298 WeakPolarHBondContact O-CD1 3.37Å; N1294-L1298 VanDerWaalsContact O-CG 3.29Å; N1294-L1298 WeakPolarHBondContact O-CG 3.38Å; N1294-L1298 PolarHBondContact O-N 3.4Å; N1294-L1298 VanDerWaalsContact O-N 3.09Å |
| 1295 | N | 39 | Very low | 41 | Very low | 90 Ų | 90 | 95.9 Ų | 95.9 | 48% | 0.481 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -74.1 | -23.3 | -179.3 | -75.5 | -66.4 | 0 | 0 | 0 | 114.7 | S1291 M1293 N1299 | S1291-N1295 WeakPolarHBondContact O-CB 3.29Å; S1291-N1295 PolarHBondContact O-N 3.35Å; S1291-N1295 PolarHBondContact O-ND2 3.26Å; S1291-N1295 PolarHBondContact OG-ND2 2.93Å; M1293-N1295 VanDerWaalsContact C-N 3.34Å; M1293-N1295 PolarHBondContact O-N 3.03Å; N1295-N1299 PolarHBondContact O-ND2 3.36Å |
| 1296 | S | 40 | Very low | 39.8 | Very low | 61 Ų | 61 | 95.7 Ų | 95.7 | 43% | 0.427 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -83.2 | -37.2 | 174.3 | 48 | 0 | 0 | 0 | 0 | 112.1 | Q1292 M1293 N1299 | Q1292-S1296 WeakPolarHBondContact O-CB 3.25Å; Q1292-S1296 PolarHBondContact O-N 2.9Å; Q1292-S1296 PolarHBondContact O-OG 3.07Å; M1293-S1296 WeakPolarHBondContact CA-OG 3.45Å; M1293-S1296 PolarHBondContact O-N 3.09Å; M1293-S1296 PolarHBondContact O-OG 2.93Å; M1293-S1296 VanDerWaalsContact O-OG 3.05Å; S1296-N1299 PolarHBondContact O-N 3.32Å |
| 1297 | V | 40.1 | Very low | 38.7 | Very low | 40 Ų | 40 | 95.6 Ų | 95.6 | 24% | 0.242 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -66.6 | -39.4 | 175 | 173.1 | 0 | 0 | 0 | 0 | 112 | I1250 M1293 N1299 F1303 | I1250-V1297 HydrophobicContact CD1-CG1 3.98Å; I1250-V1297 HydrophobicContact CG2-CG1 4.03Å; M1293-V1297 WeakPolarHBondContact O-CB 3.4Å; M1293-V1297 VanDerWaalsContact O-CG2 3.28Å; M1293-V1297 WeakPolarHBondContact O-CG2 3.28Å; M1293-V1297 PolarHBondContact O-N 3Å; V1297-N1299 VanDerWaalsContact C-N 3.29Å; V1297-N1299 PolarHBondContact O-N 3.15Å; V1297-F1303 HydrophobicContact CG2-CD2 4.47Å; V1297-F1303 HydrophobicContact CG2-CE2 3.46Å; V1297-F1303 VanDerWaalsContact CG2-CE2 3.46Å; V1297-F1303 HydrophobicContact CG2-CZ 3.53Å |
| 1298 | L | 39.1 | Very low | 37.8 | Very low | 137 Ų | 137 | 96.1 Ų | 96.1 | 72% | 0.717 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -18.8 | 178.1 | -73.3 | 169.1 | 0 | 0 | 0 | 114.3 | N1294 | N1294-L1298 WeakPolarHBondContact O-CB 3.4Å; N1294-L1298 WeakPolarHBondContact O-CD1 3.37Å; N1294-L1298 VanDerWaalsContact O-CG 3.29Å; N1294-L1298 WeakPolarHBondContact O-CG 3.38Å; N1294-L1298 PolarHBondContact O-N 3.4Å; N1294-L1298 VanDerWaalsContact O-N 3.09Å |
| 1299 | N | 37.4 | Very low | 36.6 | Very low | 138 Ų | 138 | 101.5 Ų | 101.5 | 74% | 0.738 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 18.6 | -178.8 | -83.3 | -47.2 | 0 | 0 | 0 | 114.1 | N1295 S1296 V1297 G1301 | N1295-N1299 PolarHBondContact O-ND2 3.36Å; S1296-N1299 PolarHBondContact O-N 3.32Å; V1297-N1299 VanDerWaalsContact C-N 3.29Å; V1297-N1299 PolarHBondContact O-N 3.15Å; N1299-G1301 PolarHBondContact O-N 3.27Å; N1299-G1301 VanDerWaalsContact O-N 3.16Å |
| 1300 | G | 30.7 | Very low | 35.6 | Very low | 74 Ų | 74 | 99.7 Ų | 99.7 | 76% | 0.763 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67 | 16.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1301 | G | 30.7 | Very low | 34.6 | Very low | 46 Ų | 46 | 107.5 Ų | 107.5 | 47% | 0.474 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -77.3 | 131.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1299 F1303 | N1299-G1301 PolarHBondContact O-N 3.27Å; N1299-G1301 VanDerWaalsContact O-N 3.16Å; G1301-F1303 PolarHBondContact O-N 3.14Å |
| 1302 | S | 29.6 | Very low | 33.6 | Very low | 123 Ų | 123 | 111.8 Ų | 111.8 | 86% | 0.86 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 123.6 | 174.7 | -62.9 | 0 | 0 | 0 | 0 | 112 | | |
| 1303 | F | 31.3 | Very low | 32.6 | Very low | 141 Ų | 141 | 113 Ų | 113 | 62% | 0.618 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 130.7 | 173.5 | -101.5 | -77.5 | 0 | 0 | 0 | 111.9 | V1297 G1301 K1305 | V1297-F1303 HydrophobicContact CG2-CD2 4.47Å; V1297-F1303 HydrophobicContact CG2-CE2 3.46Å; V1297-F1303 VanDerWaalsContact CG2-CE2 3.46Å; V1297-F1303 HydrophobicContact CG2-CZ 3.53Å; G1301-F1303 PolarHBondContact O-N 3.14Å; F1303-K1305 PolarHBondContact O-N 2.76Å |
| 1304 | P | 31.3 | Very low | 32 | Very low | 96 Ų | 96 | 114.6 Ų | 114.6 | 62% | 0.623 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 123.9 | 170.8 | 28.2 | -33.1 | 0 | 0 | 0 | 110.5 | S1306 | P1304-S1306 VanDerWaalsContact C-N 3.28Å; P1304-S1306 PolarHBondContact O-N 2.88Å |
| 1305 | K | 29 | Very low | 31.2 | Very low | 213 Ų | 213 | 118 Ų | 118 | 93% | 0.926 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -80.6 | 60.1 | -179 | -73.1 | -173.8 | 173.4 | -179.4 | 0 | 113.6 | F1303 | F1303-K1305 PolarHBondContact O-N 2.76Š|
| 1306 | S | 27.6 | Very low | 30.6 | Very low | 94 Ų | 94 | 119.9 Ų | 119.9 | 66% | 0.657 | 69% | 0.691 | S | S | * | * | | | trans | 178.3 | 121.7 | 159.3 | 52.2 | 0 | 0 | 0 | 0 | 111.1 | P1304 | P1304-S1306 VanDerWaalsContact C-N 3.28Å; P1304-S1306 PolarHBondContact O-N 2.88Å |
| 1307 | T | 32.1 | Very low | 30 | Very low | 106 Ų | 106 | 122.5 Ų | 122.5 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | | | trans | -156.9 | 83.2 | 162.4 | -4.2 | 0 | 0 | 0 | 0 | 109.8 | F1309 | T1307-F1309 HydrophobicContact CG2-CE2 4.17Š|
| 1308 | D | 28.9 | Very low | 29.3 | Very low | 133 Ų | 133 | 126.6 Ų | 126.6 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | | | trans | -70.1 | 147 | 163.3 | -60.9 | -71.9 | 0 | 0 | 0 | 109.3 | | |
| 1309 | F | 27.7 | Very low | 28.8 | Very low | 166 Ų | 166 | 125.3 Ų | 125.3 | 73% | 0.728 | 74% | 0.742 | S | S | * | * | | | trans | -129.9 | 106.8 | -175.7 | -88.8 | -91.9 | 0 | 0 | 0 | 110.6 | T1307 | T1307-F1309 HydrophobicContact CG2-CE2 4.17Š|
| 1310 | S | 28.4 | Very low | 28.3 | Very low | 60 Ų | 60 | 123.9 Ų | 123.9 | 42% | 0.42 | 74% | 0.743 | S | S | . | * | | | trans | -115 | 122 | 167.4 | 69.8 | 0 | 0 | 0 | 0 | 114.4 | W1524 | S1310-W1524 WeakPolarHBondContact CB-OXT 3.29Å; S1310-W1524 PolarHBondContact N-OXT 2.75Å; S1310-W1524 VanDerWaalsContact N-OXT 3.15Å; S1310-W1524 PolarHBondContact OG-OXT 3.34Å |
| 1311 | F | 25.8 | Very low | 28.1 | Very low | 204 Ų | 204 | 129.6 Ų | 129.6 | 90% | 0.895 | 75% | 0.752 | S | S | * | * | | | trans | 37 | 134.9 | 153.4 | -72.5 | -84.3 | 0 | 0 | 0 | 124.4 | | |
| 1312 | L | 25.5 | Very low | 28.1 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | | | trans | -51.6 | 131 | 162.2 | -61.1 | 152.4 | 0 | 0 | 0 | 113.3 | | |
| 1313 | N | 26.5 | Very low | 27.9 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | | | | 176.2 | 105.9 | 128.3 | -94.7 | -26.1 | 0 | 0 | 0 | 113.2 | | |
| 1314 | S | 29.2 | Very low | 28 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | | | trans | -169.8 | 156.4 | 145.7 | -85.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1315 | T | 26.1 | Very low | 27.8 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | -128.6 | 146.3 | -159.6 | -25.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1316 | V | 26.6 | Very low | 28 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | | | trans | 62.8 | 114.2 | 165.2 | -163.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1317 | S | 27.5 | Very low | 28 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | | -179.5 | 122.4 | 114.8 | -77.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1318 | S | 23.7 | Very low | 27.8 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | | | trans | -97.5 | 131.5 | 178.2 | -46.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1319 | S | 28.4 | Very low | 27.7 | Very low | 109 Ų | 109 | 136.5 Ų | 136.5 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | trans | -157.3 | 140.9 | 163.6 | 48.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1320 | S | 28.1 | Very low | 27.7 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | 45.3 | 108.8 | 159.3 | 54.2 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1321 | M | 25.9 | Very low | 27.7 | Very low | 193 Ų | 193 | 136.5 Ų | 136.5 | 95% | 0.951 | 81% | 0.809 | S | S | * | * | | | trans | -60.7 | 141.7 | 149.5 | -64.5 | 152.2 | 55.6 | 0 | 0 | 110.7 | | |
| 1322 | A | 30.2 | Very low | 27.8 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | -143.2 | 105.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1323 | N | 27.3 | Very low | 28 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 69% | 0.69 | 81% | 0.805 | S | S | * | * | | | trans | -69.7 | 134.1 | 179 | 167.7 | 47.8 | 0 | 0 | 0 | 112.5 | | |
| 1324 | N | 31.4 | Very low | 28.2 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | | -179.5 | 155.2 | 125 | -96.7 | -43.4 | 0 | 0 | 0 | 115.1 | | |
| 1325 | N | 28.7 | Very low | 28.1 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | -71.4 | 148.1 | 179.5 | -52.8 | -61.8 | 0 | 0 | 0 | 113.6 | | |
| 1326 | N | 32 | Very low | 28.2 | Very low | 164 Ų | 164 | 128 Ų | 128 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | | | | -169.2 | 157.8 | 117.2 | -100.3 | -31.4 | 0 | 0 | 0 | 113.2 | | |
| 1327 | N | 28.5 | Very low | 28.2 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | | | trans | -92.2 | 166 | -174.1 | -67.9 | -41.3 | 0 | 0 | 0 | 113.6 | | |
| 1328 | N | 28.3 | Very low | 28.2 | Very low | 153 Ų | 153 | 130.5 Ų | 130.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | 68.5 | 103.2 | 162.6 | -56.8 | -15.8 | 0 | 0 | 0 | 118.2 | | |
| 1329 | C | 26.7 | Very low | 28.4 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 91% | 0.905 | 79% | 0.786 | S | S | * | * | | | | -174.4 | 161.8 | 110.7 | -104.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1330 | S | 26.8 | Very low | 28.5 | Very low | 100 Ų | 100 | 127.8 Ų | 127.8 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | | | trans | -66 | 148.2 | -166.1 | -46.9 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1331 | P | 28.2 | Very low | 28.4 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | | | trans | -78.1 | 121.7 | 164 | 31.7 | -31.6 | 0 | 0 | 0 | 111.2 | | |
| 1332 | V | 29.2 | Very low | 28.6 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 70% | 0.703 | 79% | 0.788 | S | S | * | * | | | trans | -110.7 | 111.7 | 170.9 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | S1334 | V1332-S1334 PolarHBondContact O-N 3.46Š|
| 1333 | P | 28.4 | Very low | 28.4 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | | | trans | -89 | 82.7 | 177 | 33.6 | -32.3 | 0 | 0 | 0 | 111.2 | | |
| 1334 | S | 31 | Very low | 28.6 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | | | trans | -107.6 | 103.4 | 177 | 58.8 | 0 | 0 | 0 | 0 | 113 | V1332 | V1332-S1334 PolarHBondContact O-N 3.46Š|
| 1335 | V | 26.4 | Very low | 28.4 | Very low | 135 Ų | 135 | 136 Ų | 136 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -18.1 | 148.5 | 165.6 | -153.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1336 | S | 29.4 | Very low | 28.2 | Very low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | | | trans | 109.6 | 93.9 | 142.2 | 73.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 1337 | N | 25.8 | Very low | 28 | Very low | 152 Ų | 152 | 133.9 Ų | 133.9 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | | 75.9 | 159.4 | 114.1 | -146.9 | 10.9 | 0 | 0 | 0 | 120.6 | | |
| 1338 | I | 28.4 | Very low | 28.3 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | | | trans | 68.3 | 92.8 | 175.7 | -51.9 | 171.6 | 0 | 0 | 0 | 112.9 | | |
| 1339 | A | 27.3 | Very low | 28.2 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | | | | 72.1 | 111.8 | 68.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1340 | G | 30.6 | Very low | 28.1 | Very low | 78 Ų | 78 | 136.3 Ų | 136.3 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -177.1 | 110.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1341 | F | 26.5 | Very low | 28.2 | Very low | 199 Ų | 199 | 139 Ų | 139 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | | | trans | -73.5 | 139.7 | 174.6 | -80.4 | -113.7 | 0 | 0 | 0 | 110.2 | | |
| 1342 | N | 30.4 | Very low | 28.1 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | | | | -179 | 130.9 | 118.4 | -87.8 | -22.1 | 0 | 0 | 0 | 112.3 | | |
| 1343 | F | 25.7 | Very low | 28 | Very low | 202 Ų | 202 | 138.7 Ų | 138.7 | 89% | 0.886 | 79% | 0.793 | S | S | * | * | | | trans | -90.9 | -170.8 | 158.7 | -71.9 | -93.1 | 0 | 0 | 0 | 108.8 | | |
| 1344 | P | 30.6 | Very low | 27.9 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | | -124.2 | 143.3 | -82.9 | 36 | -20.4 | 0 | 0 | 0 | 111.9 | | |
| 1345 | L | 26.8 | Very low | 27.7 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | | | trans | -130.9 | 112.1 | 171.4 | -83.1 | 171.7 | 0 | 0 | 0 | 111.9 | A1347 | L1345-A1347 PolarHBondContact O-N 3.47Š|
| 1346 | I | 25.8 | Very low | 27.8 | Very low | 176 Ų | 176 | 136.8 Ų | 136.8 | 90% | 0.903 | 79% | 0.788 | S | S | * | * | | | trans | -75.5 | 114.8 | 160.2 | -65.3 | 171.6 | 0 | 0 | 0 | 106.7 | | |
| 1347 | A | 26.7 | Very low | 27.7 | Very low | 79 Ų | 79 | 136.6 Ų | 136.6 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | | | trans | -148.8 | 94.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L1345 | L1345-A1347 PolarHBondContact O-N 3.47Š|
| 1348 | Q | 35.1 | Very low | 27.8 | Very low | 183 Ų | 183 | 134.7 Ų | 134.7 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | | | trans | -66.9 | 140.9 | 137.4 | -71.7 | -170.4 | -14.3 | 0 | 0 | 106.7 | | |
| 1349 | P | 26.7 | Very low | 27.9 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | | | | -142.1 | 157.6 | 112.9 | 37.1 | -25.2 | 0 | 0 | 0 | 114.8 | | |
| 1350 | F | 24.1 | Very low | 28 | Very low | 190 Ų | 190 | 132.2 Ų | 132.2 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | | | trans | -25.5 | 128.1 | 154.5 | -67 | -101 | 0 | 0 | 0 | 115.7 | | |
| 1351 | N | 28.7 | Very low | 27.9 | Very low | 157 Ų | 157 | 132.9 Ų | 132.9 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | | | trans | -152.6 | 142.2 | 136.3 | -99.7 | -40 | 0 | 0 | 0 | 109 | | |
| 1352 | S | 26.6 | Very low | 27.9 | Very low | 79 Ų | 79 | 128.2 Ų | 128.2 | 55% | 0.552 | 77% | 0.765 | S | S | * | * | | | cis | -176.5 | 165.3 | -38.2 | 40.2 | 0 | 0 | 0 | 0 | 107.1 | | |
| 1353 | L | 26.9 | Very low | 27.7 | Very low | 156 Ų | 156 | 126.5 Ų | 126.5 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | | | trans | 71.1 | 140.9 | 166.9 | -62.5 | 142.2 | 0 | 0 | 0 | 118 | | |
| 1354 | S | 26 | Very low | 27.7 | Very low | 108 Ų | 108 | 118 Ų | 118 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | | | trans | 30.8 | 127.7 | 153.7 | 56.1 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1355 | S | 28.2 | Very low | 27.4 | Very low | 108 Ų | 108 | 117.3 Ų | 117.3 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | | | cis | 174.8 | 165.1 | 13.9 | 40.1 | 0 | 0 | 0 | 0 | 105.4 | | |
| 1356 | S | 28.5 | Very low | 27.2 | Very low | 105 Ų | 105 | 112.8 Ų | 112.8 | 73% | 0.734 | 70% | 0.698 | S | S | * | * | | | cis | -173.3 | 157.6 | 1.4 | 33.7 | 0 | 0 | 0 | 0 | 104 | | |
| 1357 | C | 25.9 | Very low | 27.1 | Very low | 102 Ų | 102 | 108.8 Ų | 108.8 | 69% | 0.689 | 68% | 0.682 | S | S | * | * | | | cis | -165.9 | 163.7 | 7.5 | 37.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 1358 | S | 28.9 | Very low | 27 | Very low | 112 Ų | 112 | 110.1 Ų | 110.1 | 78% | 0.783 | 69% | 0.686 | S | S | * | * | | | trans | 68.6 | 142.8 | 160.6 | -53.9 | 0 | 0 | 0 | 0 | 117.4 | | |
| 1359 | S | 31 | Very low | 26.7 | Very low | 94 Ų | 94 | 107.6 Ų | 107.6 | 66% | 0.657 | 68% | 0.682 | S | S | * | * | | | cis | -171.1 | 138.9 | -13.5 | 44.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1360 | S | 28.1 | Very low | 26.6 | Very low | 99 Ų | 99 | 110.4 Ų | 110.4 | 69% | 0.692 | 68% | 0.678 | S | S | * | * | | | trans | 56.3 | 154.9 | 145.7 | 58.7 | 0 | 0 | 0 | 0 | 122 | | |
| 1361 | S | 29 | Very low | 27.1 | Very low | 93 Ų | 93 | 107.1 Ų | 107.1 | 65% | 0.65 | 68% | 0.676 | S | S | * | * | | | trans | 57.6 | 122.1 | 157.3 | 49.4 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1362 | A | 26.6 | Very low | 27.2 | Very low | 101 Ų | 101 | 103.3 Ų | 103.3 | 84% | 0.835 | 66% | 0.659 | S | S | * | * | | | cis | 57.3 | 76.6 | 22.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1363 | T | 26.5 | Very low | 27.8 | Very low | 120 Ų | 120 | 105.7 Ų | 105.7 | 74% | 0.736 | 67% | 0.67 | S | S | * | * | | | trans | -158 | 141.3 | 149.7 | 33 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1364 | T | 24.5 | Very low | 28.1 | Very low | 24 Ų | 24 | 104 Ų | 104 | 15% | 0.147 | 66% | 0.661 | C | S | . | * | | | trans | -38.7 | 133.9 | 159 | 7.7 | 0 | 0 | 0 | 0 | 117.1 | K17 E18 E19 | K17-T1364 PolarHBondContact NZ-O 3.5Å; E18-T1364 HydrophobicContact CG-CG2 3.67Å; E18-T1364 WeakPolarHBondContact CG-OG1 3.49Å; E18-T1364 VanDerWaalsContact OE1-CB 3.29Å; E18-T1364 WeakPolarHBondContact OE1-CB 3.48Å; E18-T1364 PolarHBondContact OE1-OG1 3.29Å; E19-T1364 HydrophobicContact CB-CG2 3.73Å; E19-T1364 VanDerWaalsContact CD-OG1 3.27Å; E19-T1364 HydrophobicContact CG-CG2 3.81Å; E19-T1364 WeakPolarHBondContact OE1-CG2 3.45Å; E19-T1364 PolarHBondContact OE1-N 3.5Å; E19-T1364 PolarHBondContact OE2-OG1 3.15Å; E19-T1364 VanDerWaalsContact OE2-OG1 3.13Å |
| 1365 | T | 24.2 | Very low | 28.3 | Very low | 98 Ų | 98 | 103.6 Ų | 103.6 | 60% | 0.601 | 66% | 0.656 | S | S | * | * | | | trans | 52.3 | -160.9 | 135.5 | 59.8 | 0 | 0 | 0 | 0 | 118.8 | K17 | K17-T1365 WeakPolarHBondContact CE-OG1 3.29Å; K17-T1365 WeakPolarHBondContact CG-OG1 3.48Å; K17-T1365 PolarHBondContact NZ-OG1 3.21Å; K17-T1365 VanDerWaalsContact NZ-OG1 3.07Å |
| 1366 | T | 23.9 | Very low | 28.4 | Very low | 74 Ų | 74 | 102.9 Ų | 102.9 | 45% | 0.454 | 65% | 0.65 | S | S | . | * | | | trans | 59.7 | 99.5 | -168.4 | 26.6 | 0 | 0 | 0 | 0 | 117.7 | K17 | K17-T1366 HydrophobicContact CD-CG2 4.14Å; K17-T1366 WeakPolarHBondContact CE-OG1 2.88Å; K17-T1366 PolarHBondContact NZ-OG1 3.33Å |
| 1367 | T | 23.6 | Very low | 28.5 | Very low | 92 Ų | 92 | 103 Ų | 103 | 56% | 0.564 | 65% | 0.651 | S | S | * | * | | | trans | 63.1 | 178.1 | 130.5 | 59.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1368 | C | 24.5 | Very low | 28.9 | Very low | 108 Ų | 108 | 103.6 Ų | 103.6 | 73% | 0.73 | 65% | 0.654 | S | S | * | * | | | trans | 71.3 | 101.8 | 169.8 | -61.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1369 | V | 28.3 | Very low | 28.9 | Very low | 129 Ų | 129 | 102.2 Ų | 102.2 | 78% | 0.782 | 65% | 0.65 | S | S | * | * | | | | 78.8 | 95.7 | 97.6 | 167.9 | 0 | 0 | 0 | 0 | 111 | | |
| 1370 | R | 25.8 | Very low | 28.8 | Very low | 169 Ų | 169 | 104.7 Ų | 104.7 | 64% | 0.638 | 66% | 0.655 | S | S | * | * | | | | 61.5 | 105.3 | 72.3 | -172 | -176 | 166.8 | 176.1 | -5.3 | 112 | T1372 | R1370-T1372 PolarHBondContact NE-OG1 3.36Å; R1370-T1372 PolarHBondContact NH2-OG1 2.83Å |
| 1371 | P | 33.5 | Very low | 28.9 | Very low | 121 Ų | 121 | 106.2 Ų | 106.2 | 79% | 0.786 | 65% | 0.653 | S | S | * | * | | | | -91 | 143.4 | 98.7 | -24 | 36.5 | 0 | 0 | 0 | 110.8 | | |
| 1372 | T | 30.9 | Very low | 29.2 | Very low | 77 Ų | 77 | 108.5 Ų | 108.5 | 47% | 0.472 | 66% | 0.658 | S | S | . | * | | | cis | 58.5 | 111.7 | 46.4 | -46.8 | 0 | 0 | 0 | 0 | 109.5 | R1370 | R1370-T1372 PolarHBondContact NE-OG1 3.36Å; R1370-T1372 PolarHBondContact NH2-OG1 2.83Å |
| 1373 | V | 39.8 | Very low | 29.3 | Very low | 129 Ų | 129 | 110.7 Ų | 110.7 | 78% | 0.782 | 65% | 0.649 | S | S | * | * | | | cis | -127.1 | 141.9 | 33.4 | -129 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1374 | L | 31.8 | Very low | 29.8 | Very low | 122 Ų | 122 | 110.6 Ų | 110.6 | 64% | 0.639 | 65% | 0.651 | S | S | * | * | | | cis | 55.6 | 148.2 | 45.2 | -76.3 | 176.6 | 0 | 0 | 0 | 114.4 | | |
| 1375 | P | 31.6 | Very low | 30 | Very low | 99 Ų | 99 | 113.9 Ų | 113.9 | 64% | 0.643 | 68% | 0.675 | S | S | * | * | | | cis | -127.4 | 172.7 | -14.5 | 42.6 | -28.1 | 0 | 0 | 0 | 114 | | |
| 1376 | S | 29.9 | Very low | 30.4 | Very low | 92 Ų | 92 | 114.2 Ų | 114.2 | 64% | 0.643 | 68% | 0.681 | S | S | * | * | | | trans | 8.5 | 138 | 145.3 | 68.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1377 | S | 31.1 | Very low | 30.9 | Very low | 107 Ų | 107 | 116.3 Ų | 116.3 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | | | | 19.7 | 166.5 | 94.5 | -32.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1378 | P | 34 | Very low | 31.5 | Very low | 115 Ų | 115 | 118.1 Ų | 118.1 | 75% | 0.747 | 70% | 0.7 | S | S | * | * | | | cis | -129.3 | -175.1 | -22 | 38.5 | -23 | 0 | 0 | 0 | 112.4 | | |
| 1379 | A | 27.8 | Very low | 32 | Very low | 84 Ų | 84 | 117.9 Ų | 117.9 | 69% | 0.694 | 70% | 0.695 | S | S | * | * | | | trans | 66 | 157.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 1380 | L | 29.8 | Very low | 32.2 | Very low | 146 Ų | 146 | 118.2 Ų | 118.2 | 76% | 0.764 | 69% | 0.692 | S | S | * | * | | | | -159.7 | 144 | 52.6 | -79.6 | 162.1 | 0 | 0 | 0 | 111.2 | | |
| 1381 | I | 30.4 | Very low | 32.5 | Very low | 130 Ų | 130 | 115.8 Ų | 115.8 | 67% | 0.667 | 69% | 0.692 | S | S | * | * | | | trans | 33.9 | 117.6 | 130.8 | -53 | 176.5 | 0 | 0 | 0 | 117.6 | | |
| 1382 | N | 33.9 | Very low | 32.4 | Very low | 141 Ų | 141 | 115 Ų | 115 | 75% | 0.754 | 68% | 0.681 | S | S | * | * | | | | -159.2 | 129.7 | 117.6 | -100.3 | -35 | 0 | 0 | 0 | 113.5 | | |
| 1383 | F | 30.7 | Very low | 32.5 | Very low | 147 Ų | 147 | 117 Ų | 117 | 65% | 0.645 | 69% | 0.689 | S | S | * | * | | | trans | -78.3 | 157.3 | 153.3 | -72 | -98.9 | 0 | 0 | 0 | 108.1 | P1040 | P1040-F1383 HydrophobicContact CB-CZ 4.36Å; P1040-F1383 HydrophobicContact CG-CE1 3.8Å; P1040-F1383 HydrophobicContact CG-CZ 4.06Å |
| 1384 | P | 35.2 | Very low | 32.1 | Very low | 119 Ų | 119 | 116 Ų | 116 | 77% | 0.773 | 68% | 0.679 | S | S | * | * | | | | -123.2 | 136.4 | 84.6 | 0.8 | 21.3 | 0 | 0 | 0 | 110.4 | | |
| 1385 | S | 28.7 | Very low | 32.2 | Very low | 92 Ų | 92 | 115 Ų | 115 | 64% | 0.643 | 67% | 0.674 | S | S | * | * | | | | 56.6 | 111.5 | 59.4 | 87.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1386 | S | 34.1 | Very low | 32.2 | Very low | 105 Ų | 105 | 117.4 Ų | 117.4 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | | | | -170.7 | 134.1 | 129.4 | 45.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1387 | T | 33.9 | Very low | 32.4 | Very low | 118 Ų | 118 | 120.8 Ų | 120.8 | 72% | 0.724 | 67% | 0.673 | S | S | * | * | | | trans | 47.7 | 135.3 | 139.8 | 58.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1388 | N | 35.2 | Very low | 32.4 | Very low | 131 Ų | 131 | 123.7 Ų | 123.7 | 70% | 0.701 | 67% | 0.667 | S | S | * | * | | | cis | -164 | 158 | 34.9 | -126.1 | -6.9 | 0 | 0 | 0 | 113.6 | | |
| 1389 | T | 35.4 | Very low | 32.4 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 63% | 0.626 | 67% | 0.668 | S | S | * | * | | | trans | 30.2 | 149.1 | 141.9 | 65.8 | 0 | 0 | 0 | 0 | 122.4 | | |
| 1390 | L | 32.6 | Very low | 32.6 | Very low | 137 Ų | 137 | 127.5 Ų | 127.5 | 72% | 0.717 | 67% | 0.666 | S | S | * | * | | | cis | -156.5 | 130.8 | -16.1 | -127.4 | 87.3 | 0 | 0 | 0 | 101.8 | | |
| 1391 | N | 32.3 | Very low | 32.5 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 63% | 0.631 | 66% | 0.664 | S | S | * | * | | | | 69.8 | 151.8 | 80.5 | -165.3 | 29.8 | 0 | 0 | 0 | 114.6 | | |
| 1392 | N | 31 | Very low | 32.6 | Very low | 103 Ų | 103 | 125.1 Ų | 125.1 | 55% | 0.551 | 66% | 0.663 | S | S | * | * | | | trans | 68.2 | 120.9 | 153.7 | -88.3 | 5.6 | 0 | 0 | 0 | 119.2 | | |
| 1393 | N | 33.8 | Very low | 32.3 | Very low | 119 Ų | 119 | 123 Ų | 123 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | | | | 83.2 | 141.2 | 118.8 | -66.5 | 12.2 | 0 | 0 | 0 | 118 | | |
| 1394 | D | 31.6 | Very low | 32.2 | Very low | 108 Ų | 108 | 121 Ų | 121 | 58% | 0.578 | 66% | 0.663 | S | S | * | * | | | cis | -166 | -175.7 | -4.5 | -134.1 | -30.8 | 0 | 0 | 0 | 113.7 | | |
| 1395 | L | 32.6 | Very low | 32 | Very low | 103 Ų | 103 | 121.9 Ų | 121.9 | 54% | 0.539 | 66% | 0.662 | S | S | . | * | | | trans | 40.3 | 131.8 | 139.1 | -85.9 | 25.5 | 0 | 0 | 0 | 119.9 | | |
| 1396 | K | 33.3 | Very low | 32 | Very low | 148 Ų | 148 | 121 Ų | 121 | 64% | 0.643 | 66% | 0.655 | S | S | * | * | | | trans | 73.8 | 141.8 | 135.8 | -63.8 | 163.9 | -173 | 144.4 | 0 | 114.6 | | |
| 1397 | R | 32.9 | Very low | 31.9 | Very low | 164 Ų | 164 | 123.4 Ų | 123.4 | 62% | 0.619 | 66% | 0.657 | S | S | * | * | | | cis | -154.7 | 160.7 | 4.7 | -119.8 | 160.1 | -169.3 | -177.3 | 1.4 | 109.6 | | |
| 1398 | R | 32.4 | Very low | 31.9 | Very low | 167 Ų | 167 | 123.7 Ų | 123.7 | 63% | 0.63 | 65% | 0.654 | S | S | * | * | | | | 26.2 | 127.2 | 114.5 | -55.7 | 172.9 | -160.1 | 165.5 | -4.4 | 114 | | |
| 1399 | R | 32.4 | Very low | 31.8 | Very low | 199 Ų | 199 | 121.2 Ų | 121.2 | 75% | 0.751 | 64% | 0.64 | S | S | * | * | | | cis | -134.3 | 149.7 | 7.4 | -91.2 | 122.3 | 176.9 | 172.1 | -7.6 | 107.9 | | |
| 1400 | A | 31.7 | Very low | 31.7 | Very low | 80 Ų | 80 | 122 Ų | 122 | 66% | 0.661 | 64% | 0.64 | S | S | * | * | | | | 62.6 | 158.8 | 54.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1401 | D | 29.6 | Very low | 31.7 | Very low | 133 Ų | 133 | 119.7 Ų | 119.7 | 71% | 0.711 | 63% | 0.628 | S | S | * | * | | | trans | 65.7 | 114.6 | 169.9 | -38.4 | -42.8 | 0 | 0 | 0 | 114.1 | | |
| 1402 | S | 32.4 | Very low | 31.6 | Very low | 94 Ų | 94 | 121.2 Ų | 121.2 | 66% | 0.657 | 64% | 0.636 | S | S | * | * | | | cis | -151.8 | 151.2 | 5.4 | -85.8 | 0 | 0 | 0 | 0 | 108 | | |
| 1403 | S | 26.7 | Very low | 31.5 | Very low | 97 Ų | 97 | 120.8 Ų | 120.8 | 68% | 0.678 | 64% | 0.639 | S | S | * | * | | | cis | 62 | 150.2 | 47 | 102 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1404 | S | 29.7 | Very low | 31.2 | Very low | 103 Ų | 103 | 123.9 Ų | 123.9 | 72% | 0.72 | 65% | 0.647 | S | S | * | * | | | trans | 62 | 149.8 | -171.1 | 87.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1405 | N | 29.7 | Very low | 31.3 | Very low | 139 Ų | 139 | 123.9 Ų | 123.9 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | | | cis | -139.4 | 123.3 | -5.4 | -110.7 | -14.1 | 0 | 0 | 0 | 106.2 | | |
| 1406 | S | 29.3 | Very low | 31.2 | Very low | 72 Ų | 72 | 124.6 Ų | 124.6 | 50% | 0.503 | 66% | 0.655 | S | S | . | * | | | | 82.8 | 145.7 | 77.2 | 78.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1407 | M | 31.7 | Very low | 30.9 | Very low | 157 Ų | 157 | 124.1 Ų | 124.1 | 77% | 0.773 | 65% | 0.649 | S | S | * | * | | | trans | 66.7 | 151.2 | 166.5 | -59.7 | -173.2 | -66.4 | 0 | 0 | 113.9 | | |
| 1408 | D | 33.2 | Very low | 30.7 | Very low | 123 Ų | 123 | 123.3 Ų | 123.3 | 66% | 0.658 | 65% | 0.65 | S | S | * | * | | | cis | -168.7 | 177.6 | -21.2 | -109.3 | -22.4 | 0 | 0 | 0 | 106.7 | | |
| 1409 | I | 32.8 | Very low | 30.6 | Very low | 80 Ų | 80 | 118.3 Ų | 118.3 | 41% | 0.41 | 64% | 0.639 | S | S | . | * | | | cis | -147.3 | -179.7 | 4.9 | -138.7 | 151.5 | 0 | 0 | 0 | 108.4 | K529 | K529-I1409 WeakPolarHBondContact CB-O 3.43Å; K529-I1409 HydrophobicContact CD-CG2 3.63Å; K529-I1409 WeakPolarHBondContact CD-O 3.38Å; K529-I1409 VanDerWaalsContact CG-O 3.23Å; K529-I1409 WeakPolarHBondContact CG-O 3.12Å; K529-I1409 VanDerWaalsContact NZ-CG2 3.26Å |
| 1410 | N | 33.5 | Very low | 30.4 | Very low | 118 Ų | 118 | 114.5 Ų | 114.5 | 63% | 0.631 | 63% | 0.634 | S | S | * | * | | | trans | -64.6 | 137.7 | -178.6 | -39.7 | -76.6 | 0 | 0 | 0 | 117.3 | K529 | K529-N1410 VanDerWaalsContact CB-C 3.46Å; K529-N1410 VanDerWaalsContact CD-C 3.47Å; K529-N1410 WeakPolarHBondContact CD-O 3.27Å; K529-N1410 PolarHBondContact NZ-O 2.9Å |
| 1411 | N | 33.8 | Very low | 30.4 | Very low | 88 Ų | 88 | 115.1 Ų | 115.1 | 47% | 0.471 | 63% | 0.634 | S | S | . | * | | | trans | 168.8 | 91.4 | 146.1 | -78.7 | -15.8 | 0 | 0 | 0 | 111.9 | I528 K529 | I528-N1411 CarbonylContact C-O 3.21Å; K529-N1411 HydrophobicContact CB-CB 3.92Å; K529-N1411 HydrophobicContact CD-CB 4.03Å; K529-N1411 PolarHBondContact N-O 3.46Å |
| 1412 | L | 30.1 | Very low | 30.4 | Very low | 150 Ų | 150 | 117.6 Ų | 117.6 | 79% | 0.785 | 64% | 0.638 | S | S | * | * | | | trans | -55.1 | 147.3 | 144.2 | -74.9 | 160 | 0 | 0 | 0 | 108.1 | | |
| 1413 | P | 28.7 | Very low | 30.5 | Very low | 95 Ų | 95 | 119.2 Ų | 119.2 | 62% | 0.617 | 65% | 0.647 | S | S | * | * | | | | -155.5 | 169.7 | 85 | 43.8 | -25.2 | 0 | 0 | 0 | 118 | | |
| 1414 | F | 26.7 | Very low | 30.7 | Very low | 184 Ų | 184 | 124.5 Ų | 124.5 | 81% | 0.807 | 65% | 0.651 | S | S | * | * | | | trans | -58.1 | -177 | 147.7 | -65 | -100.8 | 0 | 0 | 0 | 111.5 | | |
| 1415 | P | 34.6 | Very low | 30.9 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 70% | 0.701 | 65% | 0.653 | S | S | * | * | | | cis | -119.8 | -156.3 | -44.6 | 28.4 | -8.4 | 0 | 0 | 0 | 109.2 | | |
| 1416 | M | 29.7 | Very low | 31 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 58% | 0.581 | 66% | 0.659 | S | S | * | * | | | | 147.2 | 126.5 | 129.3 | -73.3 | -106.5 | -85 | 0 | 0 | 117.2 | | |
| 1417 | R | 28.5 | Very low | 31.1 | Very low | 138 Ų | 138 | 128.6 Ų | 128.6 | 52% | 0.521 | 67% | 0.67 | S | S | . | * | | | trans | 56.1 | 110.3 | 137.4 | -60.4 | -179.9 | -176.3 | -179.9 | 6 | 122.3 | K522 S523 | K522-R1417 WeakPolarHBondContact O-CB 3.45Å; S523-R1417 PolarHBondContact N-O 3.41Å; S523-R1417 VanDerWaalsContact N-O 3.1Å |
| 1418 | F | 28.2 | Very low | 31.2 | Very low | 147 Ų | 147 | 127.6 Ų | 127.6 | 65% | 0.645 | 67% | 0.666 | S | S | * | * | | | | 16.6 | 131.7 | 124.1 | -75.5 | -70.2 | 0 | 0 | 0 | 119.2 | K522 S523 N1420 | K522-F1418 CarbonylContact C-O 3.23Å; K522-F1418 VanDerWaalsContact C-O 3.23Å; K522-F1418 PolarHBondContact N-O 2.94Å; S523-F1418 PolarHBondContact N-O 3.1Å; S523-F1418 VanDerWaalsContact N-O 3.15Å; F1418-N1420 HydrophobicContact CD1-CB 4.44Å |
| 1419 | P | 29.5 | Very low | 31.1 | Very low | 61 Ų | 61 | 130 Ų | 130 | 40% | 0.396 | 67% | 0.673 | S | S | . | * | | | | -135.2 | 153.9 | 65.5 | 38.7 | -25.1 | 0 | 0 | 0 | 114.7 | R521 | R521-P1419 HydrophobicContact CG-CB 4.27Š|
| 1420 | N | 28.2 | Very low | 31.2 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 64% | 0.636 | 69% | 0.689 | S | S | * | * | | | | 58 | 54.1 | 56.9 | -83.8 | -2.1 | 0 | 0 | 0 | 114.9 | R521 F1418 | R521-N1420 PolarHBondContact NH2-O 3.22Å; R521-N1420 VanDerWaalsContact NH2-O 3.13Å; F1418-N1420 HydrophobicContact CD1-CB 4.44Å |
| 1421 | S | 31.1 | Very low | 31.1 | Very low | 94 Ų | 94 | 137.3 Ų | 137.3 | 66% | 0.657 | 70% | 0.699 | S | S | * | * | | | trans | -138.7 | 121 | 166.8 | -60 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1422 | F | 30.9 | Very low | 31 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 81% | 0.811 | 71% | 0.709 | S | S | * | * | | | trans | -78.8 | 146.5 | 169.5 | -77.2 | -114.3 | 0 | 0 | 0 | 110.1 | R1424 | F1422-R1424 HydrophobicContact CB-CG 4.37Å; F1422-R1424 PolarHBondContact O-N 3.03Å |
| 1423 | P | 33.9 | Very low | 31.2 | Very low | 128 Ų | 128 | 137 Ų | 137 | 83% | 0.831 | 71% | 0.708 | S | S | * | * | | | trans | -71.4 | 97 | 142.7 | 31.5 | -28.2 | 0 | 0 | 0 | 107.9 | | |
| 1424 | R | 30.9 | Very low | 31.2 | Very low | 207 Ų | 207 | 140.4 Ų | 140.4 | 78% | 0.781 | 72% | 0.715 | S | S | * | * | | | trans | -72.2 | 148.7 | 161.5 | -79.3 | -172.4 | 170.4 | -151.1 | -1.4 | 108.6 | F1422 | F1422-R1424 HydrophobicContact CB-CG 4.37Å; F1422-R1424 PolarHBondContact O-N 3.03Å |
| 1425 | P | 34.2 | Very low | 31.9 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 71% | 0.71 | S | S | * | * | | | trans | -55.3 | 140.3 | 162.3 | -21.4 | 33.1 | 0 | 0 | 0 | 110.3 | T1427 | P1425-T1427 PolarHBondContact O-N 3.19Å; P1425-T1427 VanDerWaalsContact O-N 3.1Å |
| 1426 | L | 32.1 | Very low | 31.8 | Very low | 163 Ų | 163 | 139.5 Ų | 139.5 | 85% | 0.853 | 71% | 0.713 | S | S | * | * | | | trans | -64.7 | 109.5 | 176.8 | -82.9 | 157.3 | 0 | 0 | 0 | 109.8 | I1428 | L1426-I1428 HydrophobicContact CB-CG1 4.43Å; L1426-I1428 PolarHBondContact O-N 3.48Å |
| 1427 | T | 30.2 | Very low | 31.8 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 74% | 0.742 | 72% | 0.721 | S | S | * | * | | | trans | -81.6 | 92.8 | 167.8 | -43.6 | 0 | 0 | 0 | 0 | 107.5 | P1425 H1429 | P1425-T1427 PolarHBondContact O-N 3.19Å; P1425-T1427 VanDerWaalsContact O-N 3.1Å; T1427-H1429 PolarHBondContact O-N 3.42Å |
| 1428 | I | 35 | Very low | 32.1 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 70% | 0.697 | 73% | 0.732 | S | S | * | * | | | trans | -70.8 | 119.4 | -179.4 | -64.1 | 177.1 | 0 | 0 | 0 | 109.2 | L1426 | L1426-I1428 HydrophobicContact CB-CG1 4.43Å; L1426-I1428 PolarHBondContact O-N 3.48Å |
| 1429 | H | 30.1 | Very low | 32.3 | Very low | 172 Ų | 172 | 138 Ų | 138 | 80% | 0.796 | 74% | 0.741 | S | S | * | * | | | trans | -74.7 | 122.7 | 164.2 | -102 | -106.6 | 0 | 0 | 0 | 109.2 | T1427 | T1427-H1429 PolarHBondContact O-N 3.42Š|
| 1430 | N | 34.7 | Very low | 32.5 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | | | trans | -133.8 | 104.8 | 148.8 | -84.6 | -32.5 | 0 | 0 | 0 | 105.3 | | |
| 1431 | Y | 32.9 | Very low | 32.7 | Very low | 212 Ų | 212 | 143.3 Ų | 143.3 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | | | | 70.6 | 117.2 | 91 | -103.7 | -81.6 | 0 | 0 | 0 | 113.4 | | |
| 1432 | V | 30.8 | Very low | 32.8 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | | | trans | -95.5 | 143.4 | -172.4 | 169.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1433 | P | 34.7 | Very low | 32.9 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | -111.1 | 125.4 | 142.7 | 0.1 | 20.5 | 0 | 0 | 0 | 110.2 | | |
| 1434 | H | 29.2 | Very low | 32.9 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | -75.9 | 155.2 | 161.3 | -88.3 | -64.4 | 0 | 0 | 0 | 109.5 | | |
| 1435 | P | 39.6 | Very low | 33.2 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | | -130.4 | 141.5 | 115.7 | 35.9 | -30 | 0 | 0 | 0 | 114.4 | | |
| 1436 | H | 33.8 | Very low | 33.4 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | 7.7 | 117.3 | 139.2 | -51.9 | -74 | 0 | 0 | 0 | 117.1 | | |
| 1437 | S | 28.8 | Very low | 33.7 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | | | cis | 88.1 | 78.7 | 49.8 | 77.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1438 | S | 34.8 | Very low | 33.7 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | -157.3 | 116.4 | 158.2 | 59.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1439 | L | 33.6 | Very low | 33.8 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | | | trans | 42.8 | 114.1 | 139.6 | -61.7 | 162.1 | 0 | 0 | 0 | 121.1 | | |
| 1440 | H | 33.3 | Very low | 33.9 | Very low | 176 Ų | 176 | 127.4 Ų | 127.4 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | | | | 28.1 | 151.5 | 119.2 | -84.3 | -89.6 | 0 | 0 | 0 | 121.5 | | |
| 1441 | P | 31.7 | Very low | 33.6 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | | | cis | -138.9 | 141.3 | -45.4 | 35.1 | -16.9 | 0 | 0 | 0 | 113 | | |
| 1442 | G | 34.8 | Very low | 33.4 | Very low | 74 Ų | 74 | 124.4 Ų | 124.4 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | | | trans | -166.9 | 82.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1444 | G1442-S1444 PolarHBondContact O-N 2.64Š|
| 1443 | S | 31.7 | Very low | 33.3 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | trans | -90.6 | 79.5 | -179.8 | 58.2 | 0 | 0 | 0 | 0 | 112.9 | I1445 | S1443-I1445 VanDerWaalsContact C-N 3.28Å; S1443-I1445 PolarHBondContact O-N 2.99Å; S1443-I1445 VanDerWaalsContact O-N 3.16Å |
| 1444 | S | 34.4 | Very low | 32.9 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -83.8 | 66.4 | 168 | 45.1 | 0 | 0 | 0 | 0 | 111.6 | G1442 P1446 | G1442-S1444 PolarHBondContact O-N 2.64Å; S1444-P1446 WeakPolarHBondContact O-CD 3.2Å |
| 1445 | I | 36.8 | Very low | 32.8 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 120.6 | 168.4 | -62.1 | 175 | 0 | 0 | 0 | 107.7 | S1443 | S1443-I1445 VanDerWaalsContact C-N 3.28Å; S1443-I1445 PolarHBondContact O-N 2.99Å; S1443-I1445 VanDerWaalsContact O-N 3.16Å |
| 1446 | P | 38.4 | Very low | 32.1 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 139.5 | 174.5 | 27.2 | -33.4 | 0 | 0 | 0 | 109.9 | S1444 | S1444-P1446 WeakPolarHBondContact O-CD 3.2Š|
| 1447 | P | 38.3 | Very low | 31.9 | Very low | 109 Ų | 109 | 130 Ų | 130 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 150.9 | -164.6 | 28.7 | -36.2 | 0 | 0 | 0 | 113.1 | | |
| 1448 | P | 30.1 | Very low | 31.6 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 139 | 163.1 | 30.4 | -33.3 | 0 | 0 | 0 | 109.7 | A1450 | P1448-A1450 PolarHBondContact O-N 2.86Š|
| 1449 | P | 37.1 | Very low | 31.2 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 128.7 | 166 | -24.4 | 35.1 | 0 | 0 | 0 | 110 | | |
| 1450 | A | 31.8 | Very low | 30.9 | Very low | 87 Ų | 87 | 126.1 Ų | 126.1 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 156.5 | -160.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1448 S1452 | P1448-A1450 PolarHBondContact O-N 2.86Å; A1450-S1452 PolarHBondContact O-N 3.19Å |
| 1451 | H | 29.8 | Very low | 30.6 | Very low | 192 Ų | 192 | 122.1 Ų | 122.1 | 89% | 0.889 | 79% | 0.785 | S | S | * | * | | | trans | -71.5 | 106.9 | 162.9 | -85.8 | -99.6 | 0 | 0 | 0 | 110.3 | | |
| 1452 | S | 28.3 | Very low | 30.3 | Very low | 98 Ų | 98 | 121.8 Ų | 121.8 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | | | trans | -159 | 64.2 | 163.2 | 61.2 | 0 | 0 | 0 | 0 | 111.6 | A1450 | A1450-S1452 PolarHBondContact O-N 3.19Š|
| 1453 | D | 28.5 | Very low | 29.9 | Very low | 168 Ų | 168 | 125.6 Ų | 125.6 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | | | | -169.4 | 113.1 | 118.7 | -92.2 | -16.8 | 0 | 0 | 0 | 110.6 | | |
| 1454 | M | 25.5 | Very low | 29.7 | Very low | 163 Ų | 163 | 127.3 Ų | 127.3 | 80% | 0.803 | 79% | 0.787 | S | S | * | * | | | trans | -80.3 | 163.2 | 169.2 | -80.8 | 163.6 | 34.2 | 0 | 0 | 109.8 | | |
| 1455 | I | 27 | Very low | 29.4 | Very low | 152 Ų | 152 | 129.3 Ų | 129.3 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 87.5 | 81 | 179.9 | -48.5 | 158.1 | 0 | 0 | 0 | 113.3 | | |
| 1456 | N | 25.6 | Very low | 28.9 | Very low | 142 Ų | 142 | 125.7 Ų | 125.7 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | S | Bend | | 171.7 | -11.8 | 128.8 | -89.2 | -29 | 0 | 0 | 0 | 114.7 | A1458 | N1456-A1458 PolarHBondContact O-N 3.07Š|
| 1457 | V | 28.9 | Very low | 28.4 | Very low | 162 Ų | 162 | 131 Ų | 131 | 98% | 0.982 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -78.3 | 58.5 | 177 | -165 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1458 | A | 23.9 | Very low | 27.8 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | trans | -138.3 | 21.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1456 | N1456-A1458 PolarHBondContact O-N 3.07Š|
| 1459 | A | 24.6 | Very low | 28 | Very low | 82 Ų | 82 | 137.3 Ų | 137.3 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | | | trans | -142.4 | 80.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1460 | A | 27.9 | Very low | 27.8 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | | | trans | -140.6 | 14.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1461 | A | 27.6 | Very low | 27.7 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -109.3 | 124.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 1462 | S | 24.5 | Very low | 27.6 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 68.7 | 155.1 | -161.7 | -54.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1463 | L | 26.8 | Very low | 27.9 | Very low | 154 Ų | 154 | 138.5 Ų | 138.5 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | | | trans | 70.3 | 135.2 | -170.1 | -46.3 | 177 | 0 | 0 | 0 | 114.5 | | |
| 1464 | L | 27.6 | Very low | 28 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | | | cis | -156 | 175.4 | -21.2 | -126.7 | 176.5 | 0 | 0 | 0 | 109.6 | | |
| 1465 | N | 29 | Very low | 28.2 | Very low | 158 Ų | 158 | 136.2 Ų | 136.2 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | | | trans | -69.8 | 146.9 | 179.9 | -67.2 | -52 | 0 | 0 | 0 | 113.5 | | |
| 1466 | G | 24.9 | Very low | 28.4 | Very low | 67 Ų | 67 | 138.4 Ų | 138.4 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | | | trans | 112.7 | 96.5 | 145.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1467 | F | 27.8 | Very low | 28.6 | Very low | 220 Ų | 220 | 139.7 Ų | 139.7 | 97% | 0.965 | 79% | 0.791 | S | S | * | * | | | trans | -113.8 | 107 | 150.2 | -93.8 | -87.9 | 0 | 0 | 0 | 108.9 | | |
| 1468 | R | 27.6 | Very low | 28.7 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -82 | 134.6 | 172.4 | -84 | 176.9 | 142.7 | -148.4 | -12.1 | 109.8 | E1471 | R1468-E1471 IonicContact CZ-OE1 2.68Å; R1468-E1471 VanDerWaalsContact CZ-OE1 3.27Å; R1468-E1471 IonicContact CZ-OE2 2.95Å; R1468-E1471 IonicContact NH1-OE1 2.74Å; R1468-E1471 PolarHBondContact NH1-OE1 3.44Å; R1468-E1471 IonicContact NH1-OE2 2.77Å; R1468-E1471 PolarHBondContact NH1-OE2 3.17Å; R1468-E1471 IonicContact NH2-OE1 3.19Å; R1468-E1471 PolarHBondContact NH2-OE1 3.13Å; R1468-E1471 IonicContact NH2-OE2 2.65Å |
| 1469 | L | 32.8 | Very low | 29 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 158.7 | 156.8 | -73.4 | 168.4 | 0 | 0 | 0 | 109.7 | | |
| 1470 | P | 33.2 | Very low | 29.1 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 131.9 | -160 | -23.5 | 35.2 | 0 | 0 | 0 | 115.5 | A1472 | P1470-A1472 HydrophobicContact CB-CB 4.17Å; P1470-A1472 PolarHBondContact O-N 2.75Å |
| 1471 | E | 29.3 | Very low | 29.1 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | | | trans | -75.3 | 67.9 | 163.1 | -77.6 | 179.2 | 154.9 | 0 | 0 | 110.3 | R1468 | R1468-E1471 IonicContact CZ-OE1 2.68Å; R1468-E1471 VanDerWaalsContact CZ-OE1 3.27Å; R1468-E1471 IonicContact CZ-OE2 2.95Å; R1468-E1471 IonicContact NH1-OE1 2.74Å; R1468-E1471 PolarHBondContact NH1-OE1 3.44Å; R1468-E1471 IonicContact NH1-OE2 2.77Å; R1468-E1471 PolarHBondContact NH1-OE2 3.17Å; R1468-E1471 IonicContact NH2-OE1 3.19Å; R1468-E1471 PolarHBondContact NH2-OE1 3.13Å; R1468-E1471 IonicContact NH2-OE2 2.65Å |
| 1472 | A | 29.1 | Very low | 29.1 | Very low | 77 Ų | 77 | 147.1 Ų | 147.1 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | trans | -111.4 | -3.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | P1470 | P1470-A1472 HydrophobicContact CB-CB 4.17Å; P1470-A1472 PolarHBondContact O-N 2.75Å |
| 1473 | F | 33.6 | Very low | 29.5 | Very low | 205 Ų | 205 | 149.2 Ų | 149.2 | 90% | 0.899 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -123.6 | 11.2 | -180 | -86 | -80.8 | 0 | 0 | 0 | 114.1 | | |
| 1474 | L | 30.8 | Very low | 29.6 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -133.4 | 54.9 | -179.2 | -76.4 | 173.4 | 0 | 0 | 0 | 112.2 | | |
| 1475 | N | 29.3 | Very low | 29.6 | Very low | 137 Ų | 137 | 145.2 Ų | 145.2 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | | | trans | -169.9 | 84.9 | 156.1 | -99.4 | -29 | 0 | 0 | 0 | 111.5 | | |
| 1476 | H | 32.6 | Very low | 29.6 | Very low | 198 Ų | 198 | 144.4 Ų | 144.4 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | | | trans | -141.7 | 84.4 | 156.5 | -98.7 | 56.6 | 0 | 0 | 0 | 107.5 | | |
| 1477 | F | 28.8 | Very low | 29.8 | Very low | 168 Ų | 168 | 147.2 Ų | 147.2 | 74% | 0.737 | 78% | 0.779 | S | S | * | * | | | trans | -72.9 | 152.9 | 163.8 | -91.1 | -89 | 0 | 0 | 0 | 109.4 | | |
| 1478 | P | 32.2 | Very low | 29.7 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | | | | -120.9 | 149 | 116.5 | 34.1 | -32.8 | 0 | 0 | 0 | 113.8 | | |
| 1479 | H | 29.5 | Very low | 29.8 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | trans | -72.6 | 134.3 | -167.7 | -76 | -107.6 | 0 | 0 | 0 | 116.5 | | |
| 1480 | S | 26.9 | Very low | 29.6 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | trans | 60.6 | 172.4 | 130.4 | 73.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1481 | M | 27.4 | Very low | 29.3 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 78% | 0.778 | 77% | 0.77 | S | S | * | * | | | trans | 75.7 | 136.4 | -177.5 | -52.1 | -71.5 | -84.1 | 0 | 0 | 114.6 | | |
| 1482 | Q | 27.7 | Very low | 29.3 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | | | cis | -157.3 | 145 | -22.2 | -170 | 169.4 | -3.2 | 0 | 0 | 108 | | |
| 1483 | L | 32.4 | Very low | 29.2 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | trans | -79.3 | 150.7 | 173.6 | -87.8 | 140.4 | 0 | 0 | 0 | 111.3 | | |
| 1484 | P | 30.2 | Very low | 29 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | | -111.5 | 156.2 | 123.2 | 33.2 | -33.6 | 0 | 0 | 0 | 111.5 | | |
| 1485 | S | 26.6 | Very low | 28.9 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | trans | -133.5 | 161.4 | -170.3 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1486 | V | 28.5 | Very low | 29 | Very low | 140 Ų | 140 | 132.7 Ų | 132.7 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | | | trans | 53.3 | 123.8 | 161.5 | -65.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1487 | S | 28.8 | Very low | 28.9 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 88% | 0.881 | 75% | 0.751 | S | S | * | * | | | | -150.1 | 173.7 | 116.6 | 75 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1488 | S | 27.1 | Very low | 29 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | | | trans | -153.3 | 138.9 | -164.3 | 54 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1489 | G | 30 | Very low | 28.9 | Very low | 63 Ų | 63 | 128.7 Ų | 128.7 | 65% | 0.649 | 74% | 0.741 | S | S | * | * | | | trans | -177.5 | 144.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1490 | S | 27.1 | Very low | 28.8 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | | | cis | 63.7 | 125.8 | 46.4 | 76.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1491 | S | 28.6 | Very low | 29 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | cis | -162.1 | 178.8 | 7.8 | 55.4 | 0 | 0 | 0 | 0 | 112 | | |
| 1492 | S | 28.4 | Very low | 29.1 | Very low | 95 Ų | 95 | 128.7 Ų | 128.7 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | | | trans | 51.5 | 112.4 | 152.8 | 52 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1493 | L | 27.6 | Very low | 29.2 | Very low | 154 Ų | 154 | 127.9 Ų | 127.9 | 81% | 0.806 | 74% | 0.739 | S | S | * | * | | | | 68.1 | 130.3 | 71.8 | -80.1 | 168.8 | 0 | 0 | 0 | 116.6 | | |
| 1494 | N | 28.8 | Very low | 29 | Very low | 134 Ų | 134 | 126.2 Ų | 126.2 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | | | trans | 74.4 | 148.8 | 157.8 | -60.7 | -9.8 | 0 | 0 | 0 | 117.4 | | |
| 1495 | D | 29.6 | Very low | 28.9 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 57% | 0.567 | 74% | 0.735 | S | S | * | * | | | cis | -152.9 | 165.1 | 5.1 | -141.5 | -18 | 0 | 0 | 0 | 115.6 | | |
| 1496 | R | 29.7 | Very low | 28.9 | Very low | 183 Ų | 183 | 127 Ų | 127 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | | | trans | 65.1 | 117.8 | 147.7 | -79.2 | 155.5 | -151.9 | -152.4 | 4.3 | 123.3 | | |
| 1497 | K | 31.9 | Very low | 29 | Very low | 174 Ų | 174 | 124.1 Ų | 124.1 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | | | | 76.3 | 152.7 | 128.3 | -65.8 | 173.6 | -180 | -179 | 0 | 116.8 | | |
| 1498 | N | 29.5 | Very low | 28.8 | Very low | 127 Ų | 127 | 124.6 Ų | 124.6 | 68% | 0.679 | 74% | 0.741 | S | S | * | * | | | cis | -150.8 | 157.7 | 14.9 | -146.3 | 14.5 | 0 | 0 | 0 | 113.6 | | |
| 1499 | T | 30.7 | Very low | 28.9 | Very low | 106 Ų | 106 | 126.1 Ų | 126.1 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | | | trans | 55.6 | 122.4 | 154.6 | 44.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1500 | R | 28.2 | Very low | 28.7 | Very low | 235 Ų | 235 | 128.8 Ų | 128.8 | 89% | 0.887 | 74% | 0.742 | S | S | * | * | | | | 70.2 | 131.1 | 89.4 | -130.6 | -161.3 | -178.5 | 169.4 | -0.9 | 112.3 | | |
| 1501 | S | 29.8 | Very low | 28.6 | Very low | 86 Ų | 86 | 128.8 Ų | 128.8 | 60% | 0.601 | 74% | 0.737 | S | S | * | * | | | cis | -160.1 | 146.5 | 24.8 | -36.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1502 | S | 30.5 | Very low | 28.4 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | | | trans | 46.7 | 119 | 134 | 65.1 | 0 | 0 | 0 | 0 | 123.2 | | |
| 1503 | N | 29.4 | Very low | 28.3 | Very low | 144 Ų | 144 | 128.6 Ų | 128.6 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | | | | 108.1 | 134.3 | 116.7 | -74.8 | 14.2 | 0 | 0 | 0 | 123.4 | | |
| 1504 | T | 28.7 | Very low | 28.3 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | | | trans | 75.7 | 101.2 | 140.1 | 47.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 1505 | T | 28 | Very low | 28.1 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | | | | 98.1 | 140.1 | 110.5 | -60 | 0 | 0 | 0 | 0 | 120 | | |
| 1506 | A | 27.3 | Very low | 28 | Very low | 103 Ų | 103 | 126.5 Ų | 126.5 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | | | trans | 66.5 | 109.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 1507 | G | 30 | Very low | 28 | Very low | 80 Ų | 80 | 125.6 Ų | 125.6 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | | | trans | 177.2 | 77 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1508 | T | 25.1 | Very low | 27.9 | Very low | 136 Ų | 136 | 124.3 Ų | 124.3 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | | | trans | -69.4 | 134.2 | 170.5 | -49.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1509 | I | 27.7 | Very low | 27.9 | Very low | 158 Ų | 158 | 125.1 Ų | 125.1 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | | | trans | 168.9 | 153.5 | 138.5 | -88.6 | 156.2 | 0 | 0 | 0 | 110.3 | | |
| 1510 | T | 25.6 | Very low | 28.2 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | | | trans | -75.4 | -179.3 | -174.3 | 48.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1511 | T | 25.6 | Very low | 28.3 | Very low | 119 Ų | 119 | 121.5 Ų | 121.5 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | | | trans | 84.7 | 90.9 | 157.3 | 58.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 1512 | S | 25.2 | Very low | 28.6 | Very low | 105 Ų | 105 | 123.7 Ų | 123.7 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | | 93.4 | 155.6 | 114.1 | 84.8 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1513 | S | 25.8 | Very low | 28.7 | Very low | 90 Ų | 90 | 123.7 Ų | 123.7 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | | | trans | 78.8 | 117.4 | 147 | -51.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 1514 | N | 26.9 | Very low | 29 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | | | trans | 69.7 | 149.9 | 153.7 | -50 | -27.8 | 0 | 0 | 0 | 117.3 | | |
| 1515 | S | 26.5 | Very low | 29.1 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | | | cis | -168.1 | 150.1 | -24.8 | 52.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1516 | S | 26.7 | Very low | 29.1 | Very low | 93 Ų | 93 | 128.8 Ų | 128.8 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | | | trans | 63.3 | 150.6 | 156 | 64.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1517 | H | 28.5 | Very low | 29.2 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | | | trans | 81.7 | 127.4 | 160.8 | -58.4 | -64.7 | 0 | 0 | 0 | 121.4 | | |
| 1518 | L | 30.3 | Very low | 29.2 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | | | trans | 73.8 | 124.1 | 166.3 | -47.3 | -179.4 | 0 | 0 | 0 | 117 | | |
| 1519 | I | 30.7 | Very low | 29.4 | Very low | 144 Ų | 144 | 133 Ų | 133 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | | | cis | 82.9 | 127.3 | 28.9 | -57.6 | 170.9 | 0 | 0 | 0 | 112.6 | | |
| 1520 | P | 35.6 | Very low | 29.5 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 71% | 0.708 | 73% | 0.734 | S | S | * | * | | | cis | -140.7 | -140 | -25.9 | 39.3 | -17.1 | 0 | 0 | 0 | 112.3 | | |
| 1521 | I | 30.6 | Very low | 29.8 | Very low | 156 Ų | 156 | 132.3 Ų | 132.3 | 80% | 0.8 | 74% | 0.735 | S | S | * | * | | | trans | 92.9 | 98.4 | 164.4 | -52.4 | -175.4 | 0 | 0 | 0 | 117.2 | | |
| 1522 | N | 37.1 | Very low | 30.1 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | | | trans | -77.3 | 173 | 153.6 | -133.3 | 38.5 | 0 | 0 | 0 | 109.5 | | |
| 1523 | P | 31.9 | Very low | 30.6 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 61% | 0.61 | 74% | 0.735 | S | S | * | * | | | cis | -138.1 | 141.3 | 8.6 | 38.2 | -19.2 | 0 | 0 | 0 | 117.1 | | |
| 1524 | W | 36.3 | Very low | 31 | Very low | 242 Ų | 242 | 139.8 Ų | 139.8 | 92% | 0.917 | 75% | 0.745 | S | S | * | * | | | trans | -147.2 | 0 | 141.4 | -95.3 | 89.9 | 0 | 0 | 0 | 108.1 | S1310 | S1310-W1524 WeakPolarHBondContact CB-OXT 3.29Å; S1310-W1524 PolarHBondContact N-OXT 2.75Å; S1310-W1524 VanDerWaalsContact N-OXT 3.15Å; S1310-W1524 PolarHBondContact OG-OXT 3.34Å |