| 1 | M | 46.5 | Very low | 52 | Low | 236 Ų | 236 | 145.4 Ų | 145.4 | 100% | 1.163 | 77% | 0.771 | S | S | * | * | | | | 0 | 119.1 | 0 | -63.9 | 176.4 | 73.3 | 0 | 0 | 106.5 | | |
| 2 | S | 50.3 | Low | 52.3 | Low | 83 Ų | 83 | 141.8 Ų | 141.8 | 58% | 0.58 | 76% | 0.763 | S | S | * | * | | | trans | -93.9 | 145.1 | -169.7 | 179.1 | 0 | 0 | 0 | 0 | 111 | A4 E5 | S2-A4 PolarHBondContact O-N 3.24Å; S2-E5 PolarHBondContact O-N 3.09Å; S2-E5 VanDerWaalsContact O-N 3.1Å |
| 3 | C | 51.7 | Low | 51.2 | Low | 116 Ų | 116 | 149.3 Ų | 149.3 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -57.4 | -17.5 | -175.4 | -55.3 | 0 | 0 | 0 | 0 | 114.6 | E5 | C3-E5 VanDerWaalsContact C-N 3.31Å; C3-E5 PolarHBondContact O-N 3.46Å |
| 4 | A | 53.7 | Low | 50.1 | Low | 72 Ų | 72 | 143.4 Ų | 143.4 | 60% | 0.595 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -70.8 | -23.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S2 | S2-A4 PolarHBondContact O-N 3.24Š|
| 5 | E | 50.4 | Low | 49.2 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -84.5 | -15.2 | -170.1 | -150.9 | 162.8 | 157.4 | 0 | 0 | 113.4 | S2 C3 | S2-E5 PolarHBondContact O-N 3.09Å; S2-E5 VanDerWaalsContact O-N 3.1Å; C3-E5 VanDerWaalsContact C-N 3.31Å; C3-E5 PolarHBondContact O-N 3.46Å |
| 6 | V | 61.1 | Low | 48.3 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -86.8 | -23.6 | 178.5 | 173.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 7 | M | 63.3 | Low | 47.6 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 77% | 0.768 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -89.2 | -8.7 | -172.5 | -75.2 | -68.7 | -70 | 0 | 0 | 114.5 | | |
| 8 | Y | 45.8 | Very low | 46.9 | Very low | 204 Ų | 204 | 142.9 Ų | 142.9 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | | | trans | -121.5 | 96 | -178.8 | -87.3 | -87.9 | 0 | 0 | 0 | 111.3 | | |
| 9 | H | 52.8 | Low | 46.2 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | | | trans | -108.9 | 103.4 | 167.6 | -143.8 | -60 | 0 | 0 | 0 | 108.6 | | |
| 10 | P | 54.4 | Low | 46 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -81 | 120.7 | 171.3 | 1.8 | 15.5 | 0 | 0 | 0 | 109.1 | | |
| 11 | Q | 41.4 | Very low | 45.4 | Very low | 163 Ų | 163 | 142.3 Ų | 142.3 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -76 | 136.1 | 166.1 | -93.9 | -76.4 | -21.5 | 0 | 0 | 110 | | |
| 12 | P | 56.4 | Low | 45.7 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 126.3 | -176.9 | 35.8 | -27.6 | 0 | 0 | 0 | 112.3 | | |
| 13 | Y | 37.8 | Very low | 44.9 | Very low | 239 Ų | 239 | 140.8 Ų | 140.8 | 94% | 0.937 | 76% | 0.764 | S | S | * | * | | | trans | -154.5 | 121.9 | 157.9 | -100.3 | -91.3 | 0 | 0 | 0 | 104.1 | | |
| 14 | G | 36.2 | Very low | 44 | Very low | 67 Ų | 67 | 139.4 Ų | 139.4 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | | | cis | 147.8 | 108.3 | 12.1 | 0 | 0 | 0 | 0 | 0 | 105.6 | | |
| 15 | A | 35.6 | Very low | 43.1 | Very low | 110 Ų | 110 | 140 Ų | 140 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | | | trans | 58.9 | 148.4 | 162 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 16 | S | 35.9 | Very low | 42.3 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | | | cis | -176.7 | 164.7 | -12.8 | -172.8 | 0 | 0 | 0 | 0 | 106.6 | | |
| 17 | Q | 36.2 | Very low | 40.9 | Very low | 149 Ų | 149 | 139 Ų | 139 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | | | trans | 98.7 | 104.8 | 153.6 | -49.3 | -69.9 | -47.2 | 0 | 0 | 120 | | |
| 18 | Y | 33.7 | Very low | 39.3 | Very low | 212 Ų | 212 | 136.9 Ų | 136.9 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | | | trans | 58.5 | 119.9 | 130.8 | -78.9 | -94.9 | 0 | 0 | 0 | 122.3 | | |
| 19 | L | 33.8 | Very low | 39.5 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | trans | -45.8 | 167.4 | 150.1 | -112.3 | 98 | 0 | 0 | 0 | 112.6 | | |
| 20 | P | 43.4 | Very low | 38.6 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | cis | -139.5 | 164.3 | 24 | 36 | -14.4 | 0 | 0 | 0 | 116.7 | | |
| 21 | N | 33.8 | Very low | 37.5 | Very low | 147 Ų | 147 | 128.5 Ų | 128.5 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | | | trans | -73.9 | 151.3 | 159.1 | -132.8 | -10.3 | 0 | 0 | 0 | 108.3 | | |
| 22 | P | 52.6 | Low | 37.2 | Very low | 111 Ų | 111 | 130 Ų | 130 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | | | | -156.4 | -178.7 | 57.3 | 38.9 | -15.6 | 0 | 0 | 0 | 117.6 | | |
| 23 | M | 32.6 | Very low | 36.1 | Very low | 176 Ų | 176 | 136 Ų | 136 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | | | trans | 91.9 | 120.1 | 147.3 | -95 | -170.5 | 168.5 | 0 | 0 | 122.3 | | |
| 24 | A | 33.3 | Very low | 35.9 | Very low | 87 Ų | 87 | 132.4 Ų | 132.4 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | | | trans | 71.2 | 108.9 | 130.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 25 | A | 34.1 | Very low | 36.2 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | | 69.3 | 125.5 | 119.1 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 26 | T | 34.3 | Very low | 36.2 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | 80.7 | 125.3 | 145.3 | -38.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 27 | T | 31 | Very low | 36.5 | Very low | 136 Ų | 136 | 135 Ų | 135 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | | | | 174.2 | 125.7 | 114.9 | -48.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 28 | C | 30.8 | Very low | 36.4 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | | | trans | -75.3 | -175.9 | 171.7 | -43.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 29 | P | 48.9 | Very low | 36.9 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | | | | -154.9 | 159.6 | 58 | 38.2 | -13.8 | 0 | 0 | 0 | 119.7 | | |
| 30 | T | 35 | Very low | 36.9 | Very low | 108 Ų | 108 | 127 Ų | 127 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | | | | 56.4 | 126.2 | 127.8 | -54.3 | 0 | 0 | 0 | 0 | 121 | Y32 | T30-Y32 HydrophobicContact CG2-CD2 3.33Å; T30-Y32 HydrophobicContact CG2-CE2 3.29Å; T30-Y32 HydrophobicContact CG2-CG 4.5Å |
| 31 | A | 31.5 | Very low | 36.5 | Very low | 90 Ų | 90 | 129.6 Ų | 129.6 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | | | | -156.8 | 118.7 | 78.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 32 | Y | 34.7 | Very low | 36.8 | Very low | 196 Ų | 196 | 129.1 Ų | 129.1 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | | | | 66.7 | 101.8 | 105.8 | -77.3 | -74.5 | 0 | 0 | 0 | 117.8 | T30 | T30-Y32 HydrophobicContact CG2-CD2 3.33Å; T30-Y32 HydrophobicContact CG2-CE2 3.29Å; T30-Y32 HydrophobicContact CG2-CG 4.5Å |
| 33 | Y | 33.2 | Very low | 36.1 | Very low | 227 Ų | 227 | 132.4 Ų | 132.4 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | | | | 179.6 | 133.5 | 99.6 | -113.5 | -90.5 | 0 | 0 | 0 | 111.1 | | |
| 34 | Q | 33.3 | Very low | 36.7 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | | | trans | -108.9 | 163.6 | 168.5 | -137 | 176.6 | -62.8 | 0 | 0 | 107.9 | | |
| 35 | P | 43.1 | Very low | 37.5 | Very low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | | | | -144 | 164.9 | 68.1 | 29 | -5.5 | 0 | 0 | 0 | 115.9 | | |
| 36 | A | 35.4 | Very low | 37.7 | Very low | 75 Ų | 75 | 135.9 Ų | 135.9 | 62% | 0.62 | 76% | 0.758 | S | S | * | * | | | trans | -81.1 | 169.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 37 | P | 40.9 | Very low | 38.1 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | | -146.5 | 156.3 | 72.2 | 35.8 | -15 | 0 | 0 | 0 | 117.4 | | |
| 38 | Q | 36 | Very low | 38.6 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | | | trans | -62.6 | 165.2 | 158 | -84.3 | -90.9 | -7.5 | 0 | 0 | 111.3 | | |
| 39 | P | 43.7 | Very low | 39 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 84% | 0.844 | 76% | 0.755 | S | S | * | * | | | cis | -151.4 | 164.9 | 49.3 | 39.2 | -16.7 | 0 | 0 | 0 | 120.1 | | |
| 40 | G | 32.5 | Very low | 38.5 | Very low | 55 Ų | 55 | 139.5 Ų | 139.5 | 57% | 0.567 | 75% | 0.752 | S | S | * | * | | | trans | 133.7 | 92.4 | 150.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 41 | Q | 35.3 | Very low | 38.9 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | | | | 53.5 | 115.1 | 91.3 | -64.7 | -80.4 | -32.9 | 0 | 0 | 111.1 | | |
| 42 | Q | 39.8 | Very low | 39.5 | Very low | 137 Ų | 137 | 145.4 Ų | 145.4 | 64% | 0.64 | 76% | 0.759 | S | S | * | * | | | cis | -172.7 | 179.2 | 26.6 | -62.1 | -161.7 | -33.3 | 0 | 0 | 111.3 | | |
| 43 | K | 38 | Very low | 39.5 | Very low | 180 Ų | 180 | 142.9 Ų | 142.9 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | | | trans | 77 | 133.3 | 149.7 | -17.8 | -176.6 | -168.2 | -178.6 | 0 | 116.5 | | |
| 44 | K | 46 | Very low | 40 | Very low | 182 Ų | 182 | 137 Ų | 137 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | cis | -174.3 | 133.8 | -1.3 | -178.9 | 175.1 | 178.1 | -179.8 | 0 | 108.1 | | |
| 45 | L | 49.3 | Very low | 40.5 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | | | trans | 60.2 | 113 | 155.5 | -86.2 | 82.4 | 0 | 0 | 0 | 122.1 | V47 | L45-V47 HydrophobicContact CD2-CG2 3.87Š|
| 46 | A | 39.5 | Very low | 40.3 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | | | trans | -94.4 | 143 | 143.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 47 | V | 42.6 | Very low | 40.5 | Very low | 121 Ų | 121 | 143 Ų | 143 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | trans | -149.7 | 131.7 | 174.3 | 176.1 | 0 | 0 | 0 | 0 | 103.8 | L45 | L45-V47 HydrophobicContact CD2-CG2 3.87Š|
| 48 | F | 40.2 | Very low | 40 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | cis | -165.4 | 129 | -7 | -171.2 | -99.6 | 0 | 0 | 0 | 102.4 | M51 | F48-M51 HydrophobicContact CZ-CE 4.38Š|
| 49 | S | 40.5 | Very low | 40.2 | Very low | 118 Ų | 118 | 143 Ų | 143 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | | | trans | -123.9 | 131.3 | 174.1 | -173.9 | 0 | 0 | 0 | 0 | 108 | | |
| 50 | K | 37.4 | Very low | 40.1 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 68% | 0.683 | 77% | 0.769 | S | S | * | * | | | trans | 85 | 106.8 | 163.6 | -154.9 | 172.4 | -178.1 | 175.7 | 0 | 116.3 | | |
| 51 | M | 44 | Very low | 40.1 | Very low | 179 Ų | 179 | 144.9 Ų | 144.9 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | | | | -131.9 | 120.9 | 128.9 | -68.3 | -151.5 | -165 | 0 | 0 | 108.6 | F48 | F48-M51 HydrophobicContact CZ-CE 4.38Š|
| 52 | Q | 43.9 | Very low | 40.5 | Very low | 142 Ų | 142 | 146.2 Ų | 146.2 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | | | trans | -126.5 | 150.9 | 171.1 | -177.3 | -180 | 7.7 | 0 | 0 | 103.7 | | |
| 53 | D | 35.7 | Very low | 40.5 | Very low | 143 Ų | 143 | 148.8 Ų | 148.8 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | | | trans | 79.9 | 136.5 | 176.3 | -61.4 | -61 | 0 | 0 | 0 | 114.9 | | |
| 54 | S | 42.2 | Very low | 40.8 | Very low | 105 Ų | 105 | 148.7 Ų | 148.7 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | | | cis | -164.5 | 156.5 | 6.7 | -177.2 | 0 | 0 | 0 | 0 | 110 | | |
| 55 | L | 45.4 | Very low | 40.9 | Very low | 160 Ų | 160 | 149 Ų | 149 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | | | trans | -29.8 | 132.2 | 153.4 | -167.4 | 93.8 | 0 | 0 | 0 | 116.4 | | |
| 56 | E | 37.1 | Very low | 40.6 | Very low | 196 Ų | 196 | 151.4 Ų | 151.4 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | | | trans | -166.8 | 141.7 | 134 | -131.6 | 176.1 | 136.6 | 0 | 0 | 113.1 | | |
| 57 | V | 41.6 | Very low | 40.8 | Very low | 131 Ų | 131 | 152.4 Ų | 152.4 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | -74 | 147.3 | -174.9 | 138.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 58 | T | 30 | Very low | 40.9 | Very low | 135 Ų | 135 | 154.6 Ų | 154.6 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | | | trans | 176.4 | 116.5 | 137.2 | -69.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 59 | L | 38.8 | Very low | 41.1 | Very low | 157 Ų | 157 | 155.5 Ų | 155.5 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | trans | -67.4 | 162.2 | 167.6 | -70.7 | 172.2 | 0 | 0 | 0 | 111.2 | | |
| 60 | P | 43.2 | Very low | 41.3 | Very low | 121 Ų | 121 | 157.7 Ų | 157.7 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | | | cis | -155.1 | 172.2 | 43.5 | 40.9 | -18 | 0 | 0 | 0 | 120 | | |
| 61 | S | 32.1 | Very low | 41.6 | Very low | 103 Ų | 103 | 157.6 Ų | 157.6 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | | | trans | 110.4 | 115 | 133.3 | -142.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 62 | K | 43.1 | Very low | 41.4 | Very low | 194 Ų | 194 | 157.7 Ų | 157.7 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | 73.2 | 82.9 | 152.5 | -76.3 | -175.7 | 167.2 | -169.9 | 0 | 117.7 | | |
| 63 | Q | 39.8 | Very low | 41.5 | Very low | 191 Ų | 191 | 159 Ų | 159 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | | | trans | -161.8 | 63 | 130.7 | -153.3 | 167.2 | -25.6 | 0 | 0 | 109.1 | | |
| 64 | E | 45.1 | Very low | 41.9 | Very low | 178 Ų | 178 | 159.8 Ų | 159.8 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | | | trans | -117.4 | 113.2 | 171.5 | -68.8 | 166.3 | -167.5 | 0 | 0 | 103.8 | | |
| 65 | E | 47.6 | Very low | 41.9 | Very low | 190 Ų | 190 | 163.2 Ų | 163.2 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | S | Bend | trans | 171.2 | 0.9 | 157.9 | -95 | -163.3 | -164 | 0 | 0 | 112 | | |
| 66 | E | 43 | Very low | 42.1 | Very low | 187 Ų | 187 | 163.1 Ų | 163.1 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -114.5 | -4.2 | 173.8 | -151.5 | 171.5 | -167.3 | 0 | 0 | 114 | | |
| 67 | D | 43.3 | Very low | 42.3 | Very low | 124 Ų | 124 | 162.7 Ų | 162.7 | 66% | 0.663 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -105.8 | 5.7 | -175.1 | -108.7 | -17.5 | 0 | 0 | 0 | 114.1 | | |
| 68 | E | 45.9 | Very low | 42.7 | Very low | 166 Ų | 166 | 163.5 Ų | 163.5 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -90 | -8.1 | -178.3 | -72.2 | -170 | 174.3 | 0 | 0 | 114.2 | | |
| 69 | E | 43.1 | Very low | 43.7 | Very low | 189 Ų | 189 | 163.1 Ų | 163.1 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -97.3 | -10.6 | 179.7 | -69.2 | -168.5 | -177.9 | 0 | 0 | 114.3 | | |
| 70 | E | 45.8 | Very low | 44.5 | Very low | 163 Ų | 163 | 160.4 Ų | 160.4 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -101 | -9.7 | 178.3 | -70.8 | -166.8 | 176.5 | 0 | 0 | 114.3 | | |
| 71 | E | 43 | Very low | 45.9 | Very low | 155 Ų | 155 | 156.6 Ų | 156.6 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -17.7 | 179.8 | -77.3 | -165.1 | 164.1 | 0 | 0 | 114.5 | E73 | E71-E73 VanDerWaalsContact C-N 3.31Å; E71-E73 PolarHBondContact O-N 3.01Å |
| 72 | E | 40.6 | Very low | 48.4 | Very low | 182 Ų | 182 | 157 Ų | 157 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -13.8 | 179 | -70.6 | -162.4 | 170.4 | 0 | 0 | 113.8 | | |
| 73 | E | 44.2 | Very low | 50.6 | Low | 169 Ų | 169 | 153.6 Ų | 153.6 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -12.9 | -178.1 | -133.9 | -175.6 | -168.4 | 0 | 0 | 113.7 | E71 | E71-E73 VanDerWaalsContact C-N 3.31Å; E71-E73 PolarHBondContact O-N 3.01Å |
| 74 | E | 44.8 | Very low | 53.1 | Low | 159 Ų | 159 | 149.1 Ų | 149.1 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -18.5 | -177.2 | -147 | 177.5 | -168.2 | 0 | 0 | 113.5 | E76 | E74-E76 VanDerWaalsContact C-N 3.31Å; E74-E76 PolarHBondContact O-N 3.15Å |
| 75 | E | 43.5 | Very low | 55.5 | Low | 178 Ų | 178 | 147.8 Ų | 147.8 | 83% | 0.832 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -75.6 | -13.1 | -179.9 | -158.5 | 177.4 | 178.8 | 0 | 0 | 113.6 | K77 | E75-K77 VanDerWaalsContact C-N 3.31Å; E75-K77 PolarHBondContact O-N 3.06Å |
| 76 | E | 48.1 | Very low | 57.8 | Low | 157 Ų | 157 | 143.6 Ų | 143.6 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -79.5 | -11.2 | 178.3 | -154.5 | -171.1 | 155 | 0 | 0 | 113.3 | E74 | E74-E76 VanDerWaalsContact C-N 3.31Å; E74-E76 PolarHBondContact O-N 3.15Å |
| 77 | K | 41.3 | Very low | 60.3 | Low | 188 Ų | 188 | 139.3 Ų | 139.3 | 82% | 0.817 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -92.7 | -1.5 | -172.1 | -62.7 | -154.9 | 81.3 | 178.6 | 0 | 115.5 | E75 | E75-K77 VanDerWaalsContact C-N 3.31Å; E75-K77 PolarHBondContact O-N 3.06Å |
| 78 | D | 50.7 | Low | 62.7 | Low | 147 Ų | 147 | 137.4 Ų | 137.4 | 79% | 0.786 | 67% | 0.671 | S | S | * | * | | | trans | -102.1 | 36.2 | 175.9 | -140.5 | -9.2 | 0 | 0 | 0 | 111.3 | P80 | D78-P80 WeakPolarHBondContact O-CD 3.45Š|
| 79 | Q | 51.3 | Low | 65.1 | Low | 127 Ų | 127 | 140.7 Ų | 140.7 | 59% | 0.593 | 68% | 0.676 | S | S | * | * | | | trans | -56.7 | 104.6 | 172.8 | -91.4 | -91.2 | -3.6 | 0 | 0 | 108.8 | | |
| 80 | P | 55.4 | Low | 67.6 | Low | 101 Ų | 101 | 134.4 Ų | 134.4 | 66% | 0.656 | 65% | 0.652 | S | S | * | * | | | trans | -68.8 | 144.1 | 175.6 | 31.3 | -29.7 | 0 | 0 | 0 | 107.5 | D78 E82 | D78-P80 WeakPolarHBondContact O-CD 3.45Å; P80-E82 PolarHBondContact O-N 3.42Å; P80-E82 VanDerWaalsContact O-N 3.13Å |
| 81 | A | 73 | Confident | 70 | Confident | 40 Ų | 40 | 129.5 Ų | 129.5 | 33% | 0.331 | 63% | 0.633 | S | S | . | * | | | trans | -28.1 | 117.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M83 T94 Y95 | A81-M83 PolarHBondContact O-N 2.96Å; A81-M83 VanDerWaalsContact O-N 3.15Å; A81-T94 CarbonylContact C-O 3.39Å; A81-T94 VanDerWaalsContact CA-O 3.25Å; A81-T94 WeakPolarHBondContact CA-O 3.48Å; A81-T94 WeakPolarHBondContact CB-O 3.45Å; A81-Y95 HydrophobicContact CB-CD1 3.59Å; A81-Y95 HydrophobicContact CB-CE1 3.81Å; A81-Y95 HydrophobicContact CB-CG 4.3Å |
| 82 | E | 84.3 | Confident | 72.5 | Confident | 111 Ų | 111 | 125.8 Ų | 125.8 | 52% | 0.519 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -54.9 | 122.7 | -173.6 | 174.4 | -172.5 | -171.7 | 0 | 0 | 109 | P80 F93 T94 | P80-E82 PolarHBondContact O-N 3.42Å; P80-E82 VanDerWaalsContact O-N 3.13Å; E82-F93 CarbonylContact O-C 3.56Å; E82-F93 WeakPolarHBondContact O-CA 3.39Å; E82-T94 PolarHBondContact N-O 3.22Å; E82-T94 PolarHBondContact O-N 3Å |
| 83 | M | 90 | Very high | 75 | Confident | 124 Ų | 124 | 121.7 Ų | 121.7 | 61% | 0.611 | 60% | 0.598 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.3 | 115.9 | -178.3 | -178.8 | -179.8 | 60.5 | 0 | 0 | 109.7 | A81 V91 L92 F93 | A81-M83 PolarHBondContact O-N 2.96Å; A81-M83 VanDerWaalsContact O-N 3.15Å; M83-V91 HydrophobicContact CG-CG1 3.45Å; M83-V91 VanDerWaalsContact CG-CG1 3.45Å; M83-V91 HydrophobicContact SD-CG1 3.78Å; M83-L92 CarbonylContact C-O 3.54Å; M83-L92 VanDerWaalsContact CA-O 3.29Å; M83-L92 WeakPolarHBondContact CA-O 3.39Å; M83-F93 HydrophobicContact CB-CD1 4.02Å; M83-F93 HydrophobicContact CB-CE1 4.03Å; M83-F93 HydrophobicContact CG-CD1 3.92Å; M83-F93 HydrophobicContact CG-CE1 3.57Å; M83-F93 HydrophobicContact CG-CZ 4.04Å; M83-F93 HydrophobicContact SD-CD1 4.29Å; M83-F93 HydrophobicContact SD-CE1 3.35Å; M83-F93 WeakPolarHBondContact SD-CE1 3.31Å; M83-F93 HydrophobicContact SD-CZ 3.62Å |
| 84 | E | 91.7 | Very high | 77.4 | Confident | 96 Ų | 96 | 114.8 Ų | 114.8 | 45% | 0.449 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.4 | 133.5 | 178.2 | -169.7 | -173.5 | 171.3 | 0 | 0 | 110.7 | L86 V91 L92 | E84-L86 HydrophobicContact CG-CD2 4.24Å; E84-V91 CarbonylContact O-C 3.56Å; E84-V91 WeakPolarHBondContact O-CA 3.47Å; E84-L92 HydrophobicContact CB-CB 4.35Å; E84-L92 PolarHBondContact N-O 3.24Å; E84-L92 PolarHBondContact O-N 2.84Å |
| 85 | Y | 95 | Very high | 79.7 | Confident | 150 Ų | 150 | 116 Ų | 116 | 59% | 0.588 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.3 | 112.2 | 177.7 | -164.8 | -93 | 0 | 0 | 0 | 111.2 | N87 S88 V91 | Y85-N87 WeakPolarHBondContact CE1-O 3.17Å; Y85-N87 VanDerWaalsContact CZ-C 3.47Å; Y85-N87 PolarHBondContact OH-O 3.2Å; Y85-S88 WeakPolarHBondContact OH-CA 3.46Å; Y85-S88 PolarHBondContact OH-N 3.48Å; Y85-V91 HydrophobicContact CD2-CG2 3.54Å; Y85-V91 HydrophobicContact CE2-CG2 3.67Å |
| 86 | L | 95.8 | Very high | 82 | Confident | 103 Ų | 103 | 111.2 Ų | 111.2 | 54% | 0.539 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -40.7 | -178.6 | -59.1 | -179.5 | 0 | 0 | 0 | 112.5 | E84 C90 | E84-L86 HydrophobicContact CG-CD2 4.24Å; L86-C90 HydrophobicContact CB-CB 4.22Å; L86-C90 PolarHBondContact N-O 2.75Å |
| 87 | N | 95.3 | Very high | 83.9 | Confident | 97 Ų | 97 | 110.8 Ų | 110.8 | 52% | 0.519 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 168.5 | 178.9 | -171.7 | -5.7 | 0 | 0 | 0 | 110.5 | Y85 R89 C90 | Y85-N87 WeakPolarHBondContact CE1-O 3.17Å; Y85-N87 VanDerWaalsContact CZ-C 3.47Å; Y85-N87 PolarHBondContact OH-O 3.2Å; N87-R89 PolarHBondContact O-N 3Å; N87-C90 PolarHBondContact N-O 3.02Å; N87-C90 PolarHBondContact O-N 2.95Å; N87-C90 VanDerWaalsContact O-O 3.06Å |
| 88 | S | 94 | Very high | 86.2 | Confident | 83 Ų | 83 | 104.4 Ų | 104.4 | 58% | 0.58 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -33.9 | -29.3 | 167.8 | 58.7 | 0 | 0 | 0 | 0 | 116.2 | Y85 | Y85-S88 WeakPolarHBondContact OH-CA 3.46Å; Y85-S88 PolarHBondContact OH-N 3.48Å |
| 89 | R | 95.9 | Very high | 88.2 | Confident | 236 Ų | 236 | 102.5 Ų | 102.5 | 89% | 0.891 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | 4.5 | -175.7 | -61.2 | -178.8 | 178.7 | 171.6 | -0.7 | 114.3 | N87 | N87-R89 PolarHBondContact O-N 3Š|
| 90 | C | 95.5 | Very high | 90.3 | Very high | 57 Ų | 57 | 101.3 Ų | 101.3 | 39% | 0.385 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 120.1 | -173.4 | -169 | 0 | 0 | 0 | 0 | 111.5 | L86 N87 | L86-C90 HydrophobicContact CB-CB 4.22Å; L86-C90 PolarHBondContact N-O 2.75Å; N87-C90 PolarHBondContact N-O 3.02Å; N87-C90 PolarHBondContact O-N 2.95Å; N87-C90 VanDerWaalsContact O-O 3.06Å |
| 91 | V | 95.9 | Very high | 92.2 | Very high | 60 Ų | 60 | 97.2 Ų | 97.2 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 131.2 | 172.6 | -169.7 | 0 | 0 | 0 | 0 | 106.7 | M83 E84 Y85 F93 | M83-V91 HydrophobicContact CG-CG1 3.45Å; M83-V91 VanDerWaalsContact CG-CG1 3.45Å; M83-V91 HydrophobicContact SD-CG1 3.78Å; E84-V91 CarbonylContact O-C 3.56Å; E84-V91 WeakPolarHBondContact O-CA 3.47Å; Y85-V91 HydrophobicContact CD2-CG2 3.54Å; Y85-V91 HydrophobicContact CE2-CG2 3.67Å; V91-F93 HydrophobicContact CB-CE2 4.09Å; V91-F93 HydrophobicContact CG1-CD2 4.42Å; V91-F93 HydrophobicContact CG1-CE2 3.78Å; V91-F93 HydrophobicContact CG1-CZ 3.86Å |
| 92 | L | 95.5 | Very high | 93.2 | Very high | 76 Ų | 76 | 98.3 Ų | 98.3 | 40% | 0.398 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 131.5 | 177.2 | 178 | 61.2 | 0 | 0 | 0 | 108.7 | M83 E84 | M83-L92 CarbonylContact C-O 3.54Å; M83-L92 VanDerWaalsContact CA-O 3.29Å; M83-L92 WeakPolarHBondContact CA-O 3.39Å; E84-L92 HydrophobicContact CB-CB 4.35Å; E84-L92 PolarHBondContact N-O 3.24Å; E84-L92 PolarHBondContact O-N 2.84Å |
| 93 | F | 94.2 | Very high | 93.7 | Very high | 97 Ų | 97 | 95.1 Ų | 95.1 | 43% | 0.425 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 119.4 | 172.3 | -63.8 | -89.8 | 0 | 0 | 0 | 108.4 | E82 M83 V91 Y95 | E82-F93 CarbonylContact O-C 3.56Å; E82-F93 WeakPolarHBondContact O-CA 3.39Å; M83-F93 HydrophobicContact CB-CD1 4.02Å; M83-F93 HydrophobicContact CB-CE1 4.03Å; M83-F93 HydrophobicContact CG-CD1 3.92Å; M83-F93 HydrophobicContact CG-CE1 3.57Å; M83-F93 HydrophobicContact CG-CZ 4.04Å; M83-F93 HydrophobicContact SD-CD1 4.29Å; M83-F93 HydrophobicContact SD-CE1 3.35Å; M83-F93 WeakPolarHBondContact SD-CE1 3.31Å; M83-F93 HydrophobicContact SD-CZ 3.62Å; V91-F93 HydrophobicContact CB-CE2 4.09Å; V91-F93 HydrophobicContact CG1-CD2 4.42Å; V91-F93 HydrophobicContact CG1-CE2 3.78Å; V91-F93 HydrophobicContact CG1-CZ 3.86Å; F93-Y95 HydrophobicContact CB-CE2 3.74Å |
| 94 | T | 94.1 | Very high | 94 | Very high | 23 Ų | 23 | 92.4 Ų | 92.4 | 14% | 0.141 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 113.9 | 178.2 | -58.5 | 0 | 0 | 0 | 0 | 108.8 | A81 E82 F96 | A81-T94 CarbonylContact C-O 3.39Å; A81-T94 VanDerWaalsContact CA-O 3.25Å; A81-T94 WeakPolarHBondContact CA-O 3.48Å; A81-T94 WeakPolarHBondContact CB-O 3.45Å; E82-T94 PolarHBondContact N-O 3.22Å; E82-T94 PolarHBondContact O-N 3Å; T94-F96 HydrophobicContact CG2-CD1 3.81Å; T94-F96 HydrophobicContact CG2-CD2 4.15Å; T94-F96 HydrophobicContact CG2-CE1 3.57Å; T94-F96 HydrophobicContact CG2-CE2 3.93Å; T94-F96 HydrophobicContact CG2-CG 4.09Å; T94-F96 HydrophobicContact CG2-CZ 3.62Å |
| 95 | Y | 93.3 | Very high | 94.1 | Very high | 185 Ų | 185 | 92.7 Ų | 92.7 | 73% | 0.725 | 48% | 0.479 | S | S | * | . | | | trans | -96.5 | -2.7 | -176 | -64.4 | -81.4 | 0 | 0 | 0 | 113.8 | A81 F93 | A81-Y95 HydrophobicContact CB-CD1 3.59Å; A81-Y95 HydrophobicContact CB-CE1 3.81Å; A81-Y95 HydrophobicContact CB-CG 4.3Å; F93-Y95 HydrophobicContact CB-CE2 3.74Å |
| 96 | F | 90.9 | Very high | 94.1 | Very high | 77 Ų | 77 | 90 Ų | 90 | 34% | 0.338 | 47% | 0.472 | S | S | . | . | | | trans | -106.1 | 147.6 | 176.7 | 64.4 | -96.8 | 0 | 0 | 0 | 109.2 | T94 I100 V103 | T94-F96 HydrophobicContact CG2-CD1 3.81Å; T94-F96 HydrophobicContact CG2-CD2 4.15Å; T94-F96 HydrophobicContact CG2-CE1 3.57Å; T94-F96 HydrophobicContact CG2-CE2 3.93Å; T94-F96 HydrophobicContact CG2-CG 4.09Å; T94-F96 HydrophobicContact CG2-CZ 3.62Å; F96-I100 HydrophobicContact CE2-CB 4.46Å; F96-I100 HydrophobicContact CE2-CG1 3.88Å; F96-I100 HydrophobicContact CZ-CB 4.45Å; F96-I100 HydrophobicContact CZ-CG1 3.83Å; F96-I100 HydrophobicContact CZ-CG2 4.43Å; F96-V103 HydrophobicContact CB-CG1 4.1Å; F96-V103 HydrophobicContact CB-CG2 4.06Å; F96-V103 HydrophobicContact CD1-CG1 4.43Å; F96-V103 HydrophobicContact CD2-CB 4.32Å; F96-V103 HydrophobicContact CD2-CG1 4.43Å; F96-V103 HydrophobicContact CD2-CG2 3.72Å; F96-V103 HydrophobicContact CE2-CG2 4.49Å; F96-V103 HydrophobicContact CG-CB 4.46Å; F96-V103 HydrophobicContact CG-CG1 4.08Å; F96-V103 HydrophobicContact CG-CG2 4.06Å |
| 97 | Q | 89.8 | Confident | 94 | Very high | 149 Ų | 149 | 91.1 Ų | 91.1 | 70% | 0.696 | 47% | 0.474 | S | S | * | . | | | trans | -104.3 | 142.2 | 174.5 | -163.8 | 63 | 35.5 | 0 | 0 | 109.4 | | |
| 98 | G | 88.1 | Confident | 94 | Very high | 54 Ų | 54 | 92 Ų | 92 | 56% | 0.557 | 47% | 0.473 | S | S | * | . | S | Bend | trans | 98.9 | -164.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 99 | D | 94 | Very high | 94 | Very high | 107 Ų | 107 | 89.4 Ų | 89.4 | 57% | 0.572 | 46% | 0.455 | S | S | * | . | | | trans | -71.6 | 132.1 | -175.7 | 177.1 | 51.6 | 0 | 0 | 0 | 112.4 | G101 S102 V103 | D99-G101 PolarHBondContact O-N 3.07Å; D99-G101 WeakPolarHBondContact OD2-CA 3.46Å; D99-G101 PolarHBondContact OD2-N 3.48Å; D99-G101 VanDerWaalsContact OD2-N 3.13Å; D99-S102 PolarHBondContact O-N 3.1Å; D99-S102 VanDerWaalsContact O-N 3.14Å; D99-S102 PolarHBondContact O-OG 2.87Å; D99-S102 PolarHBondContact OD2-N 2.75Å; D99-V103 PolarHBondContact O-N 3.07Å |
| 100 | I | 94.6 | Very high | 93.8 | Very high | 102 Ų | 102 | 85.6 Ų | 85.6 | 52% | 0.523 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -56.2 | -41.2 | 179.1 | -52.5 | 179.2 | 0 | 0 | 0 | 110.5 | F96 S102 V103 V104 | F96-I100 HydrophobicContact CE2-CB 4.46Å; F96-I100 HydrophobicContact CE2-CG1 3.88Å; F96-I100 HydrophobicContact CZ-CB 4.45Å; F96-I100 HydrophobicContact CZ-CG1 3.83Å; F96-I100 HydrophobicContact CZ-CG2 4.43Å; I100-S102 VanDerWaalsContact C-N 3.32Å; I100-S102 PolarHBondContact O-N 3.07Å; I100-V103 PolarHBondContact O-N 3.35Å; I100-V104 HydrophobicContact CG2-CG2 4.07Å; I100-V104 WeakPolarHBondContact O-CB 3.33Å; I100-V104 WeakPolarHBondContact O-CG2 3.43Å; I100-V104 PolarHBondContact O-N 3.02Å |
| 101 | G | 96.2 | Very high | 93.7 | Very high | 14 Ų | 14 | 86.5 Ų | 86.5 | 14% | 0.144 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -58.2 | -44.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D99 D105 | D99-G101 PolarHBondContact O-N 3.07Å; D99-G101 WeakPolarHBondContact OD2-CA 3.46Å; D99-G101 PolarHBondContact OD2-N 3.48Å; D99-G101 VanDerWaalsContact OD2-N 3.13Å; G101-D105 VanDerWaalsContact O-CB 3.3Å; G101-D105 WeakPolarHBondContact O-CB 3.02Å; G101-D105 PolarHBondContact O-N 3.41Å |
| 102 | S | 94.1 | Very high | 93.5 | Very high | 64 Ų | 64 | 89.2 Ų | 89.2 | 45% | 0.448 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.2 | -42.4 | 178.6 | 69.6 | 0 | 0 | 0 | 0 | 113.8 | D99 I100 V104 D105 E106 | D99-S102 PolarHBondContact O-N 3.1Å; D99-S102 VanDerWaalsContact O-N 3.14Å; D99-S102 PolarHBondContact O-OG 2.87Å; D99-S102 PolarHBondContact OD2-N 2.75Å; I100-S102 VanDerWaalsContact C-N 3.32Å; I100-S102 PolarHBondContact O-N 3.07Å; S102-V104 VanDerWaalsContact C-N 3.32Å; S102-D105 PolarHBondContact O-N 2.65Å; S102-E106 WeakPolarHBondContact O-CB 3.21Å; S102-E106 PolarHBondContact O-N 2.92Å |
| 103 | V | 94.9 | Very high | 92.8 | Very high | 43 Ų | 43 | 86.4 Ų | 86.4 | 26% | 0.261 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 177.8 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | F96 D99 I100 H107 | F96-V103 HydrophobicContact CB-CG1 4.1Å; F96-V103 HydrophobicContact CB-CG2 4.06Å; F96-V103 HydrophobicContact CD1-CG1 4.43Å; F96-V103 HydrophobicContact CD2-CB 4.32Å; F96-V103 HydrophobicContact CD2-CG1 4.43Å; F96-V103 HydrophobicContact CD2-CG2 3.72Å; F96-V103 HydrophobicContact CE2-CG2 4.49Å; F96-V103 HydrophobicContact CG-CB 4.46Å; F96-V103 HydrophobicContact CG-CG1 4.08Å; F96-V103 HydrophobicContact CG-CG2 4.06Å; D99-V103 PolarHBondContact O-N 3.07Å; I100-V103 PolarHBondContact O-N 3.35Å; V103-H107 PolarHBondContact O-N 2.78Å |
| 104 | V | 95.6 | Very high | 91.3 | Very high | 67 Ų | 67 | 87.3 Ų | 87.3 | 41% | 0.406 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.9 | -50.7 | 174.4 | 171.4 | 0 | 0 | 0 | 0 | 110.1 | I100 S102 E106 H107 F108 | I100-V104 HydrophobicContact CG2-CG2 4.07Å; I100-V104 WeakPolarHBondContact O-CB 3.33Å; I100-V104 WeakPolarHBondContact O-CG2 3.43Å; I100-V104 PolarHBondContact O-N 3.02Å; S102-V104 VanDerWaalsContact C-N 3.32Å; V104-E106 VanDerWaalsContact C-N 3.3Å; V104-E106 PolarHBondContact O-N 3.14Å; V104-H107 WeakPolarHBondContact O-CA 3.44Å; V104-H107 WeakPolarHBondContact O-CB 3.37Å; V104-H107 PolarHBondContact O-N 3.03Å; V104-F108 HydrophobicContact CG1-CD2 3.59Å; V104-F108 HydrophobicContact CG1-CE2 3.52Å; V104-F108 VanDerWaalsContact O-CD2 3.25Å; V104-F108 WeakPolarHBondContact O-CD2 3.35Å; V104-F108 PolarHBondContact O-N 3.34Å |
| 105 | D | 94.2 | Very high | 89.5 | Confident | 103 Ų | 103 | 90 Ų | 90 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.7 | -38.2 | -179.7 | -171.6 | 50.2 | 0 | 0 | 0 | 112.4 | G101 S102 F108 S109 | G101-D105 VanDerWaalsContact O-CB 3.3Å; G101-D105 WeakPolarHBondContact O-CB 3.02Å; G101-D105 PolarHBondContact O-N 3.41Å; S102-D105 PolarHBondContact O-N 2.65Å; D105-F108 PolarHBondContact O-N 2.99Å; D105-S109 VanDerWaalsContact O-CB 3.26Å; D105-S109 WeakPolarHBondContact O-CB 3.41Å; D105-S109 PolarHBondContact O-N 3.08Å; D105-S109 PolarHBondContact O-OG 3.3Å |
| 106 | E | 94.3 | Very high | 87.8 | Confident | 94 Ų | 94 | 85.5 Ų | 85.5 | 44% | 0.439 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 172.3 | -179.5 | 175.1 | -155.8 | 0 | 0 | 111.7 | S102 V104 F108 S109 R110 | S102-E106 WeakPolarHBondContact O-CB 3.21Å; S102-E106 PolarHBondContact O-N 2.92Å; V104-E106 VanDerWaalsContact C-N 3.3Å; V104-E106 PolarHBondContact O-N 3.14Å; E106-F108 PolarHBondContact O-N 3.5Å; E106-S109 PolarHBondContact O-N 3.22Å; E106-R110 VanDerWaalsContact CD-NH2 3.32Å; E106-R110 HydrophobicContact CG-CG 4.4Å; E106-R110 WeakPolarHBondContact O-CB 3.29Å; E106-R110 VanDerWaalsContact O-CG 3.24Å; E106-R110 WeakPolarHBondContact O-CG 3.34Å; E106-R110 PolarHBondContact O-N 2.7Å; E106-R110 IonicContact OE1-CZ 3.15Å; E106-R110 IonicContact OE1-NE 2.59Å; E106-R110 PolarHBondContact OE1-NE 3Å; E106-R110 VanDerWaalsContact OE1-NE 3.15Å; E106-R110 IonicContact OE1-NH2 3.89Å; E106-R110 PolarHBondContact OE1-NH2 3.24Å; E106-R110 IonicContact OE2-NH2 3.15Å |
| 107 | H | 94.8 | Very high | 85.9 | Confident | 126 Ų | 126 | 87.5 Ų | 87.5 | 58% | 0.583 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58.3 | -46.9 | 175.1 | 176.3 | 89.7 | 0 | 0 | 0 | 111.5 | V103 V104 R110 A111 | V103-H107 PolarHBondContact O-N 2.78Å; V104-H107 WeakPolarHBondContact O-CA 3.44Å; V104-H107 WeakPolarHBondContact O-CB 3.37Å; V104-H107 PolarHBondContact O-N 3.03Å; H107-R110 PolarHBondContact O-N 2.86Å; H107-A111 WeakPolarHBondContact O-CB 2.99Å; H107-A111 PolarHBondContact O-N 3.25Å |
| 108 | F | 94.8 | Very high | 84 | Confident | 116 Ų | 116 | 87.6 Ų | 87.6 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 177.5 | -84.5 | -84.5 | 0 | 0 | 0 | 112 | V104 D105 E106 R110 A111 L112 | V104-F108 HydrophobicContact CG1-CD2 3.59Å; V104-F108 HydrophobicContact CG1-CE2 3.52Å; V104-F108 VanDerWaalsContact O-CD2 3.25Å; V104-F108 WeakPolarHBondContact O-CD2 3.35Å; V104-F108 PolarHBondContact O-N 3.34Å; D105-F108 PolarHBondContact O-N 2.99Å; E106-F108 PolarHBondContact O-N 3.5Å; F108-R110 VanDerWaalsContact C-N 3.32Å; F108-R110 PolarHBondContact O-N 2.78Å; F108-A111 PolarHBondContact O-N 2.97Å; F108-L112 WeakPolarHBondContact O-CB 3.25Å; F108-L112 VanDerWaalsContact O-CG 3.28Å; F108-L112 WeakPolarHBondContact O-CG 3.24Å; F108-L112 PolarHBondContact O-N 2.82Å |
| 109 | S | 93.3 | Very high | 81.8 | Confident | 27 Ų | 27 | 90.7 Ų | 90.7 | 19% | 0.189 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -60.7 | -40.7 | 176.9 | -69.2 | 0 | 0 | 0 | 0 | 112.2 | D105 E106 G113 Q114 | D105-S109 VanDerWaalsContact O-CB 3.26Å; D105-S109 WeakPolarHBondContact O-CB 3.41Å; D105-S109 PolarHBondContact O-N 3.08Å; D105-S109 PolarHBondContact O-OG 3.3Å; E106-S109 PolarHBondContact O-N 3.22Å; S109-G113 PolarHBondContact O-N 3.01Å; S109-Q114 PolarHBondContact O-N 2.92Å |
| 110 | R | 91.1 | Very high | 79.5 | Confident | 157 Ų | 157 | 91.8 Ų | 91.8 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.6 | -44.4 | 174.3 | -71.3 | 170.6 | 179.7 | -165 | 1 | 111.7 | E106 H107 F108 L112 G113 | E106-R110 VanDerWaalsContact CD-NH2 3.32Å; E106-R110 HydrophobicContact CG-CG 4.4Å; E106-R110 WeakPolarHBondContact O-CB 3.29Å; E106-R110 VanDerWaalsContact O-CG 3.24Å; E106-R110 WeakPolarHBondContact O-CG 3.34Å; E106-R110 PolarHBondContact O-N 2.7Å; E106-R110 IonicContact OE1-CZ 3.15Å; E106-R110 IonicContact OE1-NE 2.59Å; E106-R110 PolarHBondContact OE1-NE 3Å; E106-R110 VanDerWaalsContact OE1-NE 3.15Å; E106-R110 IonicContact OE1-NH2 3.89Å; E106-R110 PolarHBondContact OE1-NH2 3.24Å; E106-R110 IonicContact OE2-NH2 3.15Å; H107-R110 PolarHBondContact O-N 2.86Å; F108-R110 VanDerWaalsContact C-N 3.32Å; F108-R110 PolarHBondContact O-N 2.78Å; R110-L112 VanDerWaalsContact C-N 3.35Å; R110-L112 PolarHBondContact O-N 3.04Å; R110-G113 PolarHBondContact O-N 3.25Å |
| 111 | A | 94.3 | Very high | 76.9 | Confident | 75 Ų | 75 | 92.7 Ų | 92.7 | 62% | 0.62 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.4 | -37 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | H107 F108 G113 | H107-A111 WeakPolarHBondContact O-CB 2.99Å; H107-A111 PolarHBondContact O-N 3.25Å; F108-A111 PolarHBondContact O-N 2.97Å; A111-G113 VanDerWaalsContact C-N 3.34Å |
| 112 | L | 91.6 | Very high | 74.7 | Confident | 117 Ų | 117 | 97.1 Ų | 97.1 | 61% | 0.613 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -7.5 | 177 | -63.7 | 175.9 | 0 | 0 | 0 | 113.1 | F108 R110 Q114 | F108-L112 WeakPolarHBondContact O-CB 3.25Å; F108-L112 VanDerWaalsContact O-CG 3.28Å; F108-L112 WeakPolarHBondContact O-CG 3.24Å; F108-L112 PolarHBondContact O-N 2.82Å; R110-L112 VanDerWaalsContact C-N 3.35Å; R110-L112 PolarHBondContact O-N 3.04Å; L112-Q114 HydrophobicContact CB-CG 3.95Å; L112-Q114 PolarHBondContact O-N 3.41Å |
| 113 | G | 81.3 | Confident | 72.1 | Confident | 18 Ų | 18 | 97.9 Ų | 97.9 | 19% | 0.186 | 55% | 0.548 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 19.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S109 R110 A111 A115 I116 | S109-G113 PolarHBondContact O-N 3.01Å; R110-G113 PolarHBondContact O-N 3.25Å; A111-G113 VanDerWaalsContact C-N 3.34Å; G113-A115 PolarHBondContact O-N 3.38Å; G113-I116 WeakPolarHBondContact O-CB 3.41Å; G113-I116 PolarHBondContact O-N 2.84Å |
| 114 | Q | 62.6 | Low | 70.1 | Confident | 116 Ų | 116 | 103 Ų | 103 | 54% | 0.542 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.4 | -24 | -176.4 | -66.1 | -172.3 | -3.5 | 0 | 0 | 112.8 | S109 L112 I116 | S109-Q114 PolarHBondContact O-N 2.92Å; L112-Q114 HydrophobicContact CB-CG 3.95Å; L112-Q114 PolarHBondContact O-N 3.41Å; Q114-I116 PolarHBondContact O-N 2.94Å |
| 115 | A | 56.6 | Low | 67.7 | Low | 78 Ų | 78 | 104.6 Ų | 104.6 | 65% | 0.645 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -75.8 | -6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114 | G113 | G113-A115 PolarHBondContact O-N 3.38Å |
| 116 | I | 55.9 | Low | 65.5 | Low | 92 Ų | 92 | 109.6 Ų | 109.6 | 47% | 0.472 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -99.3 | -21.5 | -175 | -51 | 175 | 0 | 0 | 0 | 111.7 | G113 Q114 W135 | G113-I116 WeakPolarHBondContact O-CB 3.41Å; G113-I116 PolarHBondContact O-N 2.84Å; Q114-I116 PolarHBondContact O-N 2.94Å; I116-W135 HydrophobicContact CD1-CH2 3.73Å; I116-W135 HydrophobicContact CD1-CZ3 4.36Å; I116-W135 HydrophobicContact CG1-CH2 4.22Å |
| 117 | T | 51.6 | Low | 62.9 | Low | 119 Ų | 119 | 110.4 Ų | 110.4 | 73% | 0.73 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -93.1 | -13.3 | -176.4 | 45.3 | 0 | 0 | 0 | 0 | 114.5 | H119 | T117-H119 PolarHBondContact O-N 3.47Å |
| 118 | L | 50 | Low | 60.8 | Low | 150 Ų | 150 | 114.3 Ų | 114.3 | 79% | 0.785 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -94 | 74.8 | 168 | -60.9 | 179.3 | 0 | 0 | 0 | 110 | | |
| 119 | H | 41.8 | Very low | 58.4 | Low | 119 Ų | 119 | 116.3 Ų | 116.3 | 55% | 0.551 | 65% | 0.647 | S | S | * | * | | | trans | 57.3 | 99 | 138.5 | -156.7 | -108.7 | 0 | 0 | 0 | 118 | T117 E121 | T117-H119 PolarHBondContact O-N 3.47Å; H119-E121 VanDerWaalsContact CE1-C 3.5Å; H119-E121 WeakPolarHBondContact CE1-CB 3.28Å; H119-E121 WeakPolarHBondContact CE1-CG 3.25Å; H119-E121 PolarHBondContact CE1-O 3.46Å; H119-E121 VanDerWaalsContact ND1-C 3.35Å; H119-E121 WeakPolarHBondContact ND1-CA 3.48Å; H119-E121 WeakPolarHBondContact ND1-CB 3.33Å; H119-E121 PolarHBondContact ND1-N 2.89Å; H119-E121 PolarHBondContact ND1-O 3.27Å; H119-E121 VanDerWaalsContact ND1-O 3.13Å; H119-E121 WeakPolarHBondContact NE2-CB 3.33Å; H119-E121 PolarHBondContact O-N 2.93Å; H119-E121 VanDerWaalsContact O-N 3.15Å |
| 120 | P | 45.1 | Very low | 56.2 | Low | 131 Ų | 131 | 118.7 Ų | 118.7 | 85% | 0.851 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -76.6 | 18.7 | 161.6 | 35.1 | -35.2 | 0 | 0 | 0 | 112.9 | S122 | P120-S122 VanDerWaalsContact C-N 3.3Å; P120-S122 PolarHBondContact O-N 3.25Å |
| 121 | E | 41.9 | Very low | 54.1 | Low | 120 Ų | 120 | 118.4 Ų | 118.4 | 56% | 0.561 | 69% | 0.685 | S | S | * | * | | | trans | -100.7 | 52.9 | -177 | 174.6 | 77.7 | -130.6 | 0 | 0 | 109.6 | H119 | H119-E121 VanDerWaalsContact CE1-C 3.5Å; H119-E121 WeakPolarHBondContact CE1-CB 3.28Å; H119-E121 WeakPolarHBondContact CE1-CG 3.25Å; H119-E121 PolarHBondContact CE1-O 3.46Å; H119-E121 VanDerWaalsContact ND1-C 3.35Å; H119-E121 WeakPolarHBondContact ND1-CA 3.48Å; H119-E121 WeakPolarHBondContact ND1-CB 3.33Å; H119-E121 PolarHBondContact ND1-N 2.89Å; H119-E121 PolarHBondContact ND1-O 3.27Å; H119-E121 VanDerWaalsContact ND1-O 3.13Å; H119-E121 WeakPolarHBondContact NE2-CB 3.33Å; H119-E121 PolarHBondContact O-N 2.93Å; H119-E121 VanDerWaalsContact O-N 3.15Å |
| 122 | S | 48.3 | Very low | 52.1 | Low | 108 Ų | 108 | 120.1 Ų | 120.1 | 76% | 0.755 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -151.4 | 40.8 | 164.8 | 43.6 | 0 | 0 | 0 | 0 | 111.1 | P120 | P120-S122 VanDerWaalsContact C-N 3.3Å; P120-S122 PolarHBondContact O-N 3.25Å |
| 123 | A | 41 | Very low | 50 | Low | 80 Ų | 80 | 118.4 Ų | 118.4 | 66% | 0.661 | 68% | 0.683 | S | S | * | * | | | trans | -160 | 63.7 | 158.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S125 | A123-S125 PolarHBondContact O-N 3.35Š|
| 124 | I | 51.2 | Low | 48.4 | Very low | 150 Ų | 150 | 123.8 Ų | 123.8 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | | | trans | -74.2 | 71.5 | 148.9 | -57.4 | 172.5 | 0 | 0 | 0 | 106.3 | | |
| 125 | S | 45.4 | Very low | 47.7 | Very low | 100 Ų | 100 | 125 Ų | 125 | 70% | 0.699 | 71% | 0.707 | S | S | * | * | | | trans | -113.9 | 121.7 | 157.9 | -168.5 | 0 | 0 | 0 | 0 | 106.6 | A123 S127 | A123-S125 PolarHBondContact O-N 3.35Å; S125-S127 PolarHBondContact O-N 2.91Å |
| 126 | K | 48.8 | Very low | 47.4 | Very low | 209 Ų | 209 | 130.2 Ų | 130.2 | 91% | 0.909 | 71% | 0.71 | S | S | * | * | | | trans | -58.1 | 94.5 | -173.8 | -64.6 | 167.1 | 178 | 158.4 | 0 | 110.1 | | |
| 127 | S | 40 | Very low | 47.1 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | | | trans | -119.9 | 112.1 | 158.9 | 72.4 | 0 | 0 | 0 | 0 | 109.4 | S125 M129 | S125-S127 PolarHBondContact O-N 2.91Å; S127-M129 PolarHBondContact O-N 3.15Å; S127-M129 VanDerWaalsContact O-N 3.13Å |
| 128 | K | 49.4 | Very low | 46.9 | Very low | 208 Ų | 208 | 131.1 Ų | 131.1 | 90% | 0.904 | 72% | 0.719 | S | S | * | * | | | trans | -74.5 | 90.1 | 172.5 | 166.9 | 154.4 | 170.1 | 163.3 | 0 | 107.9 | | |
| 129 | M | 44.8 | Very low | 47 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 78% | 0.783 | 71% | 0.713 | S | S | * | * | | | trans | -168.6 | 108.2 | 144.8 | -156.9 | 66.4 | 151.8 | 0 | 0 | 107.1 | S127 L131 | S127-M129 PolarHBondContact O-N 3.15Å; S127-M129 VanDerWaalsContact O-N 3.13Å; M129-L131 PolarHBondContact O-N 2.79Å |
| 130 | G | 47.8 | Very low | 47.5 | Very low | 76 Ų | 76 | 125.2 Ų | 125.2 | 78% | 0.784 | 71% | 0.707 | S | S | * | * | | | trans | -65.3 | 100.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 131 | L | 47.5 | Very low | 48.1 | Very low | 152 Ų | 152 | 125.1 Ų | 125.1 | 80% | 0.796 | 70% | 0.698 | S | S | * | * | | | trans | -121.8 | 76.7 | 156.5 | -65.7 | 177.1 | 0 | 0 | 0 | 106.2 | M129 | M129-L131 PolarHBondContact O-N 2.79Š|
| 132 | T | 51.4 | Low | 48.8 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 68% | 0.681 | 69% | 0.693 | S | S | * | * | | | trans | -51.7 | 128.6 | 154.4 | 45.3 | 0 | 0 | 0 | 0 | 106.7 | L134 | T132-L134 PolarHBondContact O-N 2.85Š|
| 133 | P | 47.3 | Very low | 49 | Very low | 80 Ų | 80 | 121.6 Ų | 121.6 | 52% | 0.519 | 69% | 0.687 | S | S | . | * | | | trans | -67.1 | 110.5 | -175.3 | 33.2 | -38.6 | 0 | 0 | 0 | 107 | W135 R136 | P133-W135 VanDerWaalsContact C-CD1 3.48Å; P133-W135 VanDerWaalsContact CB-CD1 3.41Å; P133-W135 VanDerWaalsContact CB-NE1 3.31Å; P133-W135 PolarHBondContact O-N 2.78Å; P133-R136 PolarHBondContact O-N 3.08Å |
| 134 | L | 48.1 | Very low | 49.7 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 69% | 0.691 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -61.6 | -1.7 | -168 | -178.8 | 61.7 | 0 | 0 | 0 | 114.3 | T132 R136 | T132-L134 PolarHBondContact O-N 2.85Å; L134-R136 PolarHBondContact O-N 3.02Å |
| 135 | W | 48.8 | Very low | 50.1 | Low | 141 Ų | 141 | 124.1 Ų | 124.1 | 53% | 0.534 | 68% | 0.676 | S | S | . | * | G | 310 helix | trans | -69.9 | -19.1 | 177.2 | 63.2 | -76.4 | 0 | 0 | 0 | 113 | I116 P133 D137 | I116-W135 HydrophobicContact CD1-CH2 3.73Å; I116-W135 HydrophobicContact CD1-CZ3 4.36Å; I116-W135 HydrophobicContact CG1-CH2 4.22Å; P133-W135 VanDerWaalsContact C-CD1 3.48Å; P133-W135 VanDerWaalsContact CB-CD1 3.41Å; P133-W135 VanDerWaalsContact CB-NE1 3.31Å; P133-W135 PolarHBondContact O-N 2.78Å; W135-D137 PolarHBondContact O-N 2.96Å |
| 136 | R | 50.1 | Low | 50.8 | Low | 187 Ų | 187 | 126.9 Ų | 126.9 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -67.6 | -18.8 | -179.5 | -107.3 | -150.6 | -75.9 | -170.3 | -4.8 | 114.8 | P133 L134 | P133-R136 PolarHBondContact O-N 3.08Å; L134-R136 PolarHBondContact O-N 3.02Å |
| 137 | D | 48.3 | Very low | 51.8 | Low | 135 Ų | 135 | 120.9 Ų | 120.9 | 72% | 0.722 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -101.7 | -1.4 | -174.7 | -61.1 | -33.4 | 0 | 0 | 0 | 113.8 | W135 | W135-D137 PolarHBondContact O-N 2.96Š|
| 138 | S | 48.3 | Very low | 53.7 | Low | 96 Ų | 96 | 119 Ų | 119 | 67% | 0.671 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | -2.2 | -173.1 | -64.2 | 0 | 0 | 0 | 0 | 115.7 | A140 | S138-A140 PolarHBondContact O-N 3.15Š|
| 139 | S | 52.1 | Low | 55.2 | Low | 93 Ų | 93 | 112.7 Ų | 112.7 | 65% | 0.65 | 63% | 0.625 | S | S | * | * | | | trans | -82.3 | 62.8 | 168.8 | -56.3 | 0 | 0 | 0 | 0 | 110.3 | L141 | S139-L141 PolarHBondContact O-N 2.59Š|
| 140 | A | 51.7 | Low | 56.6 | Low | 52 Ų | 52 | 110.3 Ų | 110.3 | 43% | 0.43 | 62% | 0.62 | S | S | . | * | | | trans | -57.9 | 98.8 | 151.4 | 0 | 0 | 0 | 0 | 0 | 105.1 | S138 S142 | S138-A140 PolarHBondContact O-N 3.15Å; A140-S142 PolarHBondContact O-N 3.13Å |
| 141 | L | 57.4 | Low | 58.1 | Low | 128 Ų | 128 | 108.7 Ų | 108.7 | 67% | 0.67 | 60% | 0.596 | S | S | * | * | | | trans | -36.5 | 133.6 | 174.2 | -64 | 158.2 | 0 | 0 | 0 | 107.1 | S139 S143 Q144 | S139-L141 PolarHBondContact O-N 2.59Å; L141-S143 CarbonylContact O-C 3.59Å; L141-S143 PolarHBondContact O-N 3.23Å; L141-Q144 WeakPolarHBondContact O-CB 3.19Å; L141-Q144 PolarHBondContact O-N 3.04Å |
| 142 | S | 57.4 | Low | 59.8 | Low | 64 Ų | 64 | 106.6 Ų | 106.6 | 45% | 0.448 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -51.8 | -23.3 | -178.9 | 54.5 | 0 | 0 | 0 | 0 | 113 | A140 W153 | A140-S142 PolarHBondContact O-N 3.13Å; S142-W153 WeakPolarHBondContact OG-CH2 3.3Å |
| 143 | S | 53 | Low | 61.3 | Low | 91 Ų | 91 | 108.2 Ų | 108.2 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -64.5 | -28 | 168.8 | -85.2 | 0 | 0 | 0 | 0 | 116.1 | L141 | L141-S143 CarbonylContact O-C 3.59Å; L141-S143 PolarHBondContact O-N 3.23Å |
| 144 | Q | 55.6 | Low | 63 | Low | 134 Ų | 134 | 107.3 Ų | 107.3 | 63% | 0.626 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -84.9 | -11.6 | -179 | -157.6 | -179.2 | 12.8 | 0 | 0 | 112.8 | L141 N146 | L141-Q144 WeakPolarHBondContact O-CB 3.19Å; L141-Q144 PolarHBondContact O-N 3.04Å; Q144-N146 PolarHBondContact O-N 3.26Å; Q144-N146 VanDerWaalsContact O-N 3.08Å |
| 145 | R | 59.8 | Low | 64.3 | Low | 148 Ų | 148 | 107.3 Ų | 107.3 | 56% | 0.558 | 58% | 0.579 | S | S | * | * | | | trans | -78.5 | 91.5 | 167.2 | -71.1 | -173.7 | 67.9 | -172.2 | 1.8 | 108.1 | S147 F148 | R145-S147 PolarHBondContact O-N 2.9Å; R145-F148 HydrophobicContact CB-CD2 3.97Å; R145-F148 HydrophobicContact CB-CE2 3.73Å |
| 146 | N | 59.8 | Low | 65.7 | Low | 159 Ų | 159 | 105.1 Ų | 105.1 | 85% | 0.85 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 15.8 | 174.1 | -66.5 | -37.1 | 0 | 0 | 0 | 114.8 | Q144 | Q144-N146 PolarHBondContact O-N 3.26Å; Q144-N146 VanDerWaalsContact O-N 3.08Å |
| 147 | S | 70.2 | Confident | 66.8 | Low | 82 Ų | 82 | 102.6 Ų | 102.6 | 57% | 0.573 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | 7.2 | -177.3 | 75.5 | 0 | 0 | 0 | 0 | 114 | R145 | R145-S147 PolarHBondContact O-N 2.9Š|
| 148 | F | 78.1 | Confident | 68.2 | Low | 71 Ų | 71 | 104.3 Ų | 104.3 | 31% | 0.311 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -100 | 131.9 | 176.1 | -67.2 | -71.7 | 0 | 0 | 0 | 110.7 | R145 F152 | R145-F148 HydrophobicContact CB-CD2 3.97Å; R145-F148 HydrophobicContact CB-CE2 3.73Å; F148-F152 HydrophobicContact CB-CB 4.19Å; F148-F152 HydrophobicContact CB-CD1 4.47Å; F148-F152 HydrophobicContact CB-CG 4.29Å; F148-F152 HydrophobicContact CD1-CD2 4.13Å; F148-F152 HydrophobicContact CD1-CE2 4.35Å; F148-F152 HydrophobicContact CD1-CG 4.26Å; F148-F152 HydrophobicContact CE1-CE2 4.48Å; F148-F152 HydrophobicContact CG-CG 4.46Å |
| 149 | P | 81.6 | Confident | 69.3 | Low | 76 Ų | 76 | 103.8 Ų | 103.8 | 49% | 0.494 | 57% | 0.574 | S | S | . | * | | | trans | -63.9 | 151.8 | 174.2 | 29.6 | -34.8 | 0 | 0 | 0 | 109.7 | S151 F152 | P149-S151 WeakPolarHBondContact CB-OG 3.32Å; P149-S151 WeakPolarHBondContact CG-OG 3.39Å; P149-S151 PolarHBondContact O-N 3.49Å; P149-F152 WeakPolarHBondContact O-CB 3.42Å; P149-F152 PolarHBondContact O-N 3.42Å |
| 150 | T | 75 | Confident | 70.3 | Confident | 108 Ų | 108 | 103.6 Ų | 103.6 | 66% | 0.663 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -54.7 | -29.6 | 176.8 | -49.9 | 0 | 0 | 0 | 0 | 112.5 | F152 W153 T154 | T150-F152 PolarHBondContact O-N 3.39Å; T150-F152 VanDerWaalsContact O-N 3.14Å; T150-W153 PolarHBondContact O-N 2.91Å; T150-T154 HydrophobicContact CG2-CG2 4.05Å; T150-T154 PolarHBondContact O-N 3.02Å; T150-T154 PolarHBondContact O-OG1 3.05Å |
| 151 | S | 79.2 | Confident | 71.1 | Confident | 42 Ų | 42 | 106.7 Ų | 106.7 | 29% | 0.294 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -61.2 | -15.4 | 173.8 | 56.9 | 0 | 0 | 0 | 0 | 114.9 | P149 W153 T154 | P149-S151 WeakPolarHBondContact CB-OG 3.32Å; P149-S151 WeakPolarHBondContact CG-OG 3.39Å; P149-S151 PolarHBondContact O-N 3.49Å; S151-W153 VanDerWaalsContact C-N 3.29Å; S151-T154 CarbonylContact C-O 3.58Å; S151-T154 WeakPolarHBondContact CA-OG1 3.26Å |
| 152 | F | 82.6 | Confident | 71.8 | Confident | 109 Ų | 109 | 104.5 Ų | 104.5 | 48% | 0.478 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -69.6 | -29.6 | 172.4 | -172.7 | -95 | 0 | 0 | 0 | 112 | F148 P149 T150 | F148-F152 HydrophobicContact CB-CB 4.19Å; F148-F152 HydrophobicContact CB-CD1 4.47Å; F148-F152 HydrophobicContact CB-CG 4.29Å; F148-F152 HydrophobicContact CD1-CD2 4.13Å; F148-F152 HydrophobicContact CD1-CE2 4.35Å; F148-F152 HydrophobicContact CD1-CG 4.26Å; F148-F152 HydrophobicContact CE1-CE2 4.48Å; F148-F152 HydrophobicContact CG-CG 4.46Å; P149-F152 WeakPolarHBondContact O-CB 3.42Å; P149-F152 PolarHBondContact O-N 3.42Å; T150-F152 PolarHBondContact O-N 3.39Å; T150-F152 VanDerWaalsContact O-N 3.14Å |
| 153 | W | 83.6 | Confident | 72.3 | Confident | 144 Ų | 144 | 107 Ų | 107 | 55% | 0.545 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.9 | -29.4 | -177.7 | -59.2 | 110 | 0 | 0 | 0 | 113.1 | S142 T150 S151 | S142-W153 WeakPolarHBondContact OG-CH2 3.3Å; T150-W153 PolarHBondContact O-N 2.91Å; S151-W153 VanDerWaalsContact C-N 3.29Å |
| 154 | T | 82.3 | Confident | 72.4 | Confident | 62 Ų | 62 | 108.4 Ų | 108.4 | 38% | 0.38 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -86.7 | 123.2 | 171.4 | 65.6 | 0 | 0 | 0 | 0 | 107.4 | T150 S151 S156 | T150-T154 HydrophobicContact CG2-CG2 4.05Å; T150-T154 PolarHBondContact O-N 3.02Å; T150-T154 PolarHBondContact O-OG1 3.05Å; S151-T154 CarbonylContact C-O 3.58Å; S151-T154 WeakPolarHBondContact CA-OG1 3.26Å; T154-S156 PolarHBondContact O-N 3.06Å |
| 155 | S | 75.9 | Confident | 72.3 | Confident | 131 Ų | 131 | 110.2 Ų | 110.2 | 92% | 0.916 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -59 | 15.9 | -179.4 | -168.5 | 0 | 0 | 0 | 0 | 115.7 | Y157 | S155-Y157 PolarHBondContact O-N 3.48Š|
| 156 | S | 77.3 | Confident | 71.7 | Confident | 95 Ų | 95 | 106.3 Ų | 106.3 | 66% | 0.664 | 63% | 0.63 | S | S | * | * | | | trans | -84.8 | 23.4 | 171.4 | -48 | 0 | 0 | 0 | 0 | 112.7 | T154 Q158 | T154-S156 PolarHBondContact O-N 3.06Å; S156-Q158 PolarHBondContact O-N 3.35Å |
| 157 | Y | 74.7 | Confident | 71.5 | Confident | 135 Ų | 135 | 102.3 Ų | 102.3 | 53% | 0.529 | 63% | 0.625 | S | S | . | * | | | trans | -64.7 | 106.6 | 174.7 | -173.9 | -100.7 | 0 | 0 | 0 | 109.2 | S155 P159 P160 | S155-Y157 PolarHBondContact O-N 3.48Å; Y157-P159 HydrophobicContact CD1-CB 4.38Å; Y157-P159 VanDerWaalsContact CE1-CA 3.49Å; Y157-P159 HydrophobicContact CE1-CB 3.9Å; Y157-P159 VanDerWaalsContact O-CD 3.31Å; Y157-P159 WeakPolarHBondContact O-CD 3.36Å; Y157-P160 WeakPolarHBondContact OH-CD 3.48Å |
| 158 | Q | 75.9 | Confident | 70.5 | Confident | 170 Ų | 170 | 104.5 Ų | 104.5 | 79% | 0.794 | 64% | 0.635 | S | S | * | * | | | trans | -84.9 | 110.9 | 164.9 | -172.2 | 173.8 | -26.2 | 0 | 0 | 106.7 | S156 | S156-Q158 PolarHBondContact O-N 3.35Š|
| 159 | P | 71.3 | Confident | 68.9 | Low | 85 Ų | 85 | 106.5 Ų | 106.5 | 55% | 0.552 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 134.4 | 175.9 | 21.4 | -29.2 | 0 | 0 | 0 | 108.7 | Y157 | Y157-P159 HydrophobicContact CD1-CB 4.38Å; Y157-P159 VanDerWaalsContact CE1-CA 3.49Å; Y157-P159 HydrophobicContact CE1-CB 3.9Å; Y157-P159 VanDerWaalsContact O-CD 3.31Å; Y157-P159 WeakPolarHBondContact O-CD 3.36Å |
| 160 | P | 73.8 | Confident | 67.5 | Low | 90 Ų | 90 | 108.1 Ų | 108.1 | 58% | 0.584 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 137.7 | 171.3 | 22.7 | -30.1 | 0 | 0 | 0 | 108 | Y157 A162 | Y157-P160 WeakPolarHBondContact OH-CD 3.48Å; P160-A162 PolarHBondContact O-N 3.03Å |
| 161 | P | 69.5 | Low | 66 | Low | 117 Ų | 117 | 108.9 Ų | 108.9 | 76% | 0.76 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 132.5 | 176.9 | 22.8 | -31.7 | 0 | 0 | 0 | 108.2 | | |
| 162 | A | 71.9 | Confident | 64.3 | Low | 82 Ų | 82 | 114.9 Ų | 114.9 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 135 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | P160 C164 | P160-A162 PolarHBondContact O-N 3.03Å; A162-C164 VanDerWaalsContact C-N 3.34Å; A162-C164 PolarHBondContact O-N 2.86Å |
| 163 | P | 68.1 | Low | 62.4 | Low | 116 Ų | 116 | 118 Ų | 118 | 75% | 0.753 | 69% | 0.693 | S | S | * | * | | | trans | -59.3 | 107.4 | 167.7 | 25 | -30.1 | 0 | 0 | 0 | 106 | L165 | P163-L165 PolarHBondContact O-N 2.94Š|
| 164 | C | 53.5 | Low | 60.5 | Low | 120 Ų | 120 | 117.5 Ų | 117.5 | 81% | 0.811 | 71% | 0.705 | S | S | * | * | | | trans | -57.8 | 111.9 | 170.1 | 17.9 | 0 | 0 | 0 | 0 | 105.8 | A162 G166 | A162-C164 VanDerWaalsContact C-N 3.34Å; A162-C164 PolarHBondContact O-N 2.86Å; C164-G166 PolarHBondContact O-N 2.8Å |
| 165 | L | 53.9 | Low | 58.7 | Low | 172 Ų | 172 | 121 Ų | 121 | 90% | 0.901 | 73% | 0.727 | S | S | * | * | | | trans | -68.8 | 64.7 | 162.9 | -66 | 174.4 | 0 | 0 | 0 | 107.4 | P163 G167 | P163-L165 PolarHBondContact O-N 2.94Å; L165-G167 PolarHBondContact O-N 3.32Å |
| 166 | G | 47.1 | Very low | 56.9 | Low | 67 Ų | 67 | 117.8 Ų | 117.8 | 69% | 0.691 | 71% | 0.714 | S | S | * | * | | | trans | -69.9 | 91.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 106 | C164 V168 | C164-G166 PolarHBondContact O-N 2.8Å; G166-V168 PolarHBondContact O-N 3.34Å |
| 167 | G | 55.4 | Low | 55.5 | Low | 74 Ų | 74 | 119.4 Ų | 119.4 | 76% | 0.763 | 72% | 0.723 | S | S | * | * | | | trans | -60.7 | 104.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L165 | L165-G167 PolarHBondContact O-N 3.32Š|
| 168 | V | 49.3 | Very low | 54.3 | Low | 128 Ų | 128 | 119 Ų | 119 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | | | trans | -144.9 | 108.4 | 141.3 | 178.2 | 0 | 0 | 0 | 0 | 106.4 | G166 | G166-V168 PolarHBondContact O-N 3.34Š|
| 169 | H | 44.5 | Very low | 52.4 | Low | 113 Ų | 113 | 113.7 Ų | 113.7 | 52% | 0.523 | 73% | 0.727 | S | S | . | * | | | trans | -64.6 | 133.8 | 168.1 | -175.1 | -98.7 | 0 | 0 | 0 | 108.9 | D171 | H169-D171 IonicContact CE1-OD2 3.77Å; H169-D171 PolarHBondContact CE1-OD2 3.1Å; H169-D171 WeakPolarHBondContact ND1-CB 3.37Å; H169-D171 PolarHBondContact ND1-N 2.85Å; H169-D171 IonicContact ND1-OD2 3.15Å; H169-D171 PolarHBondContact O-N 2.93Å |
| 170 | P | 51.9 | Low | 50.9 | Low | 111 Ų | 111 | 115.9 Ų | 115.9 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -6.6 | -172.5 | 25.5 | -32.4 | 0 | 0 | 0 | 115 | | |
| 171 | D | 44.3 | Very low | 49.1 | Very low | 124 Ų | 124 | 120.8 Ų | 120.8 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 2 | -178.1 | -74 | -40.8 | 0 | 0 | 0 | 116.6 | H169 | H169-D171 IonicContact CE1-OD2 3.77Å; H169-D171 PolarHBondContact CE1-OD2 3.1Å; H169-D171 WeakPolarHBondContact ND1-CB 3.37Å; H169-D171 PolarHBondContact ND1-N 2.85Å; H169-D171 IonicContact ND1-OD2 3.15Å; H169-D171 PolarHBondContact O-N 2.93Å |
| 172 | F | 43.5 | Very low | 47.8 | Very low | 167 Ų | 167 | 121.4 Ų | 121.4 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | | | trans | -109.6 | 71.9 | 173 | -68.3 | -77.2 | 0 | 0 | 0 | 111.6 | V174 | F172-V174 VanDerWaalsContact C-N 3.33Å; F172-V174 PolarHBondContact O-N 3.08Å; F172-V174 VanDerWaalsContact O-N 3.09Å |
| 173 | Q | 43.7 | Very low | 45.9 | Very low | 176 Ų | 176 | 122.1 Ų | 122.1 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | trans | -72.9 | 88 | 159.9 | -66.2 | -122.1 | -48.8 | 0 | 0 | 109.1 | T175 | Q173-T175 PolarHBondContact O-N 3.26Š|
| 174 | V | 42.2 | Very low | 44.3 | Very low | 132 Ų | 132 | 121.1 Ų | 121.1 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | | | trans | -75.2 | 109.6 | 165.5 | 171.8 | 0 | 0 | 0 | 0 | 108.2 | F172 | F172-V174 VanDerWaalsContact C-N 3.33Å; F172-V174 PolarHBondContact O-N 3.08Å; F172-V174 VanDerWaalsContact O-N 3.09Å |
| 175 | T | 44.8 | Very low | 43.6 | Very low | 137 Ų | 137 | 121.1 Ų | 121.1 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | | | trans | -79.3 | 114 | 171.3 | -55.7 | 0 | 0 | 0 | 0 | 108.7 | Q173 | Q173-T175 PolarHBondContact O-N 3.26Š|
| 176 | G | 39.5 | Very low | 42.9 | Very low | 62 Ų | 62 | 118.7 Ų | 118.7 | 64% | 0.639 | 75% | 0.753 | S | S | * | * | | | trans | 174.1 | 123.8 | 171 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 177 | P | 47.4 | Very low | 43.1 | Very low | 130 Ų | 130 | 119.3 Ų | 119.3 | 84% | 0.844 | 75% | 0.746 | S | S | * | * | | | trans | -97.7 | 176.2 | -171.3 | 43.4 | -37.8 | 0 | 0 | 0 | 112.8 | | |
| 178 | P | 49 | Very low | 42.6 | Very low | 127 Ų | 127 | 120.9 Ų | 120.9 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | | | | -84.4 | 134.6 | -126.6 | 36.9 | -24.2 | 0 | 0 | 0 | 114.3 | | |
| 179 | G | 36.4 | Very low | 42.1 | Very low | 57 Ų | 57 | 126.5 Ų | 126.5 | 59% | 0.588 | 75% | 0.751 | S | S | * | * | | | trans | -109.8 | 104.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 180 | T | 40.3 | Very low | 42.3 | Very low | 131 Ų | 131 | 127 Ų | 127 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -60 | 121.5 | 170.7 | 44.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 181 | F | 35.5 | Very low | 41.3 | Very low | 193 Ų | 193 | 124.2 Ų | 124.2 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | | | trans | -134.5 | 115.2 | 150.9 | -29.3 | -76.9 | 0 | 0 | 0 | 107.6 | A183 | F181-A183 PolarHBondContact O-N 3.12Š|
| 182 | S | 41.4 | Very low | 40.8 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | | | trans | -61.5 | 127.1 | 173.3 | -71.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 183 | A | 32 | Very low | 40.5 | Very low | 97 Ų | 97 | 124.7 Ų | 124.7 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | | | trans | -135.7 | 100.5 | 151.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | F181 D185 | F181-A183 PolarHBondContact O-N 3.12Å; A183-D185 PolarHBondContact O-N 3.13Å |
| 184 | A | 34.6 | Very low | 40.4 | Very low | 96 Ų | 96 | 123.6 Ų | 123.6 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | | | trans | 9.9 | 100.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 185 | D | 38.2 | Very low | 40 | Very low | 119 Ų | 119 | 124.1 Ų | 124.1 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | trans | -70.7 | 142.6 | 141.6 | 175.7 | 40.3 | 0 | 0 | 0 | 109 | A183 S187 | A183-D185 PolarHBondContact O-N 3.13Å; D185-S187 WeakPolarHBondContact OD1-CB 3.12Å; D185-S187 PolarHBondContact OD1-N 3.44Å; D185-S187 PolarHBondContact OD1-OG 3.39Å; D185-S187 WeakPolarHBondContact OD2-CB 3.4Å; D185-S187 PolarHBondContact OD2-N 2.98Å; D185-S187 VanDerWaalsContact OD2-O 3.08Å |
| 186 | P | 39.5 | Very low | 39.6 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | | | trans | -113.8 | 87.9 | 145 | 34.8 | -25.6 | 0 | 0 | 0 | 109.7 | | |
| 187 | S | 52.1 | Low | 39.8 | Very low | 79 Ų | 79 | 128 Ų | 128 | 55% | 0.552 | 76% | 0.761 | S | S | * | * | | | trans | -138.2 | 116.2 | 155.7 | -62.7 | 0 | 0 | 0 | 0 | 106.4 | D185 | D185-S187 WeakPolarHBondContact OD1-CB 3.12Å; D185-S187 PolarHBondContact OD1-N 3.44Å; D185-S187 PolarHBondContact OD1-OG 3.39Å; D185-S187 WeakPolarHBondContact OD2-CB 3.4Å; D185-S187 PolarHBondContact OD2-N 2.98Å; D185-S187 VanDerWaalsContact OD2-O 3.08Å |
| 188 | P | 44.5 | Very low | 39.5 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | | -164.3 | 122.8 | 98.7 | 33.2 | -9 | 0 | 0 | 0 | 118.2 | | |
| 189 | W | 39.8 | Very low | 39.1 | Very low | 246 Ų | 246 | 125.2 Ų | 125.2 | 93% | 0.932 | 76% | 0.755 | S | S | * | * | | | trans | 63 | 162.2 | 142.1 | -55.6 | 103.4 | 0 | 0 | 0 | 118.7 | | |
| 190 | P | 47.7 | Very low | 39.4 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | | | cis | -149.8 | 160.9 | 36.2 | 41.6 | -19.3 | 0 | 0 | 0 | 120.4 | | |
| 191 | G | 30.2 | Very low | 40 | Very low | 53 Ų | 53 | 126.1 Ų | 126.1 | 55% | 0.546 | 76% | 0.76 | S | S | . | * | | | trans | 88.7 | 130.6 | 151.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 192 | H | 33.7 | Very low | 40.7 | Very low | 191 Ų | 191 | 122.4 Ų | 122.4 | 88% | 0.884 | 76% | 0.756 | S | S | * | * | | | cis | -146.8 | 137.2 | 37.6 | -55.5 | -84.1 | 0 | 0 | 0 | 112.2 | | |
| 193 | S | 37.7 | Very low | 41.1 | Very low | 111 Ų | 111 | 121.6 Ų | 121.6 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | | | trans | -58.3 | 158.2 | 165.2 | -72 | 0 | 0 | 0 | 0 | 113.4 | | |
| 194 | L | 41.8 | Very low | 41.8 | Very low | 153 Ų | 153 | 121.9 Ų | 121.9 | 80% | 0.801 | 75% | 0.75 | S | S | * | * | | | trans | 90.6 | 137 | 150.6 | -116.5 | 81.9 | 0 | 0 | 0 | 118.1 | | |
| 195 | H | 33.8 | Very low | 42 | Very low | 143 Ų | 143 | 123.8 Ų | 123.8 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | | | trans | 83.3 | 111.7 | 174.3 | -82.2 | -117.9 | 0 | 0 | 0 | 116.4 | | |
| 196 | Q | 36.5 | Very low | 42 | Very low | 146 Ų | 146 | 123.6 Ų | 123.6 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | | | | 71.4 | 115.6 | 73.2 | -158.6 | -170.4 | 123.5 | 0 | 0 | 110.7 | | |
| 197 | T | 44.2 | Very low | 41.8 | Very low | 134 Ų | 134 | 127.1 Ų | 127.1 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | trans | 47.6 | 96 | 159.9 | 57.8 | 0 | 0 | 0 | 0 | 117.5 | | |
| 198 | G | 39.9 | Very low | 41 | Very low | 65 Ų | 65 | 128.6 Ų | 128.6 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | | | trans | -166.4 | 141.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 199 | P | 41.2 | Very low | 40.9 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 143.2 | -172.7 | 27.8 | -31.8 | 0 | 0 | 0 | 111.4 | | |
| 200 | A | 43.2 | Very low | 40.9 | Very low | 91 Ų | 91 | 128.1 Ų | 128.1 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 147.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 201 | P | 52.2 | Low | 40.5 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 144.8 | 169.6 | 29.9 | -32.1 | 0 | 0 | 0 | 109.6 | | |
| 202 | P | 50.2 | Low | 41.4 | Very low | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 144.2 | 177.9 | 28.4 | -33.2 | 0 | 0 | 0 | 110.2 | | |
| 203 | P | 49.9 | Very low | 42.2 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 144.7 | 174.1 | 27.4 | -32.8 | 0 | 0 | 0 | 110.3 | V205 | P203-V205 PolarHBondContact O-N 3.32Š|
| 204 | A | 46.1 | Very low | 42.2 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | -56.6 | 113.8 | 170 | 0 | 0 | 0 | 0 | 0 | 108.7 | S206 | A204-S206 PolarHBondContact O-N 3.26Š|
| 205 | V | 40.3 | Very low | 42.3 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -65.6 | 115.8 | 177.5 | -68.6 | 0 | 0 | 0 | 0 | 108.7 | P203 E207 | P203-V205 PolarHBondContact O-N 3.32Å; V205-E207 PolarHBondContact O-N 2.88Å |
| 206 | S | 37.5 | Very low | 42.8 | Very low | 116 Ų | 116 | 135 Ų | 135 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | | | trans | -58.1 | 132.9 | 156.7 | -81.5 | 0 | 0 | 0 | 0 | 108.2 | A204 S208 | A204-S206 PolarHBondContact O-N 3.26Å; S206-S208 PolarHBondContact O-N 2.94Å |
| 207 | E | 36 | Very low | 42.8 | Very low | 196 Ų | 196 | 134.3 Ų | 134.3 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | | | trans | -53 | 99 | -175.1 | -66 | 172.2 | 135.7 | 0 | 0 | 111.9 | V205 | V205-E207 PolarHBondContact O-N 2.88Š|
| 208 | S | 35.7 | Very low | 42.7 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | trans | -86.5 | 120.8 | 160.6 | 179.5 | 0 | 0 | 0 | 0 | 107.2 | S206 | S206-S208 PolarHBondContact O-N 2.94Š|
| 209 | W | 41.6 | Very low | 42.8 | Very low | 225 Ų | 225 | 136.1 Ų | 136.1 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | | | trans | -41.9 | 125.6 | 176.4 | -65.5 | 94.5 | 0 | 0 | 0 | 112.7 | Y211 | W209-Y211 PolarHBondContact O-N 3.35Š|
| 210 | P | 40.7 | Very low | 43 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | -83.6 | 98.2 | 173.8 | 31.6 | -29.6 | 0 | 0 | 0 | 109.2 | P212 | P210-P212 WeakPolarHBondContact O-CD 3.46Š|
| 211 | Y | 37.8 | Very low | 42.6 | Very low | 217 Ų | 217 | 141.6 Ų | 141.6 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | | | trans | -85.1 | 118 | 155.8 | -86.7 | -82.6 | 0 | 0 | 0 | 108.5 | W209 L213 | W209-Y211 PolarHBondContact O-N 3.35Å; Y211-L213 PolarHBondContact O-N 2.85Å |
| 212 | P | 48.9 | Very low | 42.3 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | | | trans | -80.6 | 102.2 | 168 | 30.5 | -29.2 | 0 | 0 | 0 | 109.1 | P210 | P210-P212 WeakPolarHBondContact O-CD 3.46Š|
| 213 | L | 50.6 | Low | 42.3 | Very low | 172 Ų | 172 | 143 Ų | 143 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | | | trans | -98.8 | 91.6 | 161 | -172.3 | 77.7 | 0 | 0 | 0 | 108.5 | Y211 | Y211-L213 PolarHBondContact O-N 2.85Š|
| 214 | T | 37.9 | Very low | 42.2 | Very low | 126 Ų | 126 | 144 Ų | 144 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | -170 | 117.8 | 154.7 | 161.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 215 | S | 44.9 | Very low | 42.1 | Very low | 105 Ų | 105 | 148 Ų | 148 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | | | trans | -67 | 136.6 | 157.4 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 216 | Q | 44.1 | Very low | 42.1 | Very low | 172 Ų | 172 | 149.3 Ų | 149.3 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | 136.5 | 137.8 | 152.5 | -74.2 | -73.8 | 4.8 | 0 | 0 | 112.7 | | |
| 217 | V | 35.4 | Very low | 42.7 | Very low | 133 Ų | 133 | 150.7 Ų | 150.7 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | | | trans | 79.6 | 100.4 | 173.2 | 92.9 | 0 | 0 | 0 | 0 | 118 | | |
| 218 | S | 43.4 | Very low | 43.4 | Very low | 113 Ų | 113 | 150.9 Ų | 150.9 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | -49.1 | 150.3 | 164.1 | -45.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 219 | P | 42 | Very low | 43.9 | Very low | 123 Ų | 123 | 152.9 Ų | 152.9 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | | | | -144.9 | 135.1 | 113.9 | 29 | -10 | 0 | 0 | 0 | 115.8 | | |
| 220 | S | 45.3 | Very low | 43.8 | Very low | 106 Ų | 106 | 153.8 Ų | 153.8 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | | | trans | 47.1 | 93 | 137.5 | -158.8 | 0 | 0 | 0 | 0 | 119.4 | | |
| 221 | Y | 34.5 | Very low | 44.1 | Very low | 235 Ų | 235 | 156.4 Ų | 156.4 | 92% | 0.922 | 80% | 0.804 | S | S | * | * | | | trans | -131.6 | 107.4 | 142.2 | -122.9 | -96 | 0 | 0 | 0 | 109.9 | | |
| 222 | S | 45.4 | Very low | 44.5 | Very low | 92 Ų | 92 | 154.8 Ų | 154.8 | 64% | 0.643 | 80% | 0.804 | S | S | * | * | | | trans | -72.4 | 166.6 | 170.4 | 48.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 223 | H | 51.1 | Low | 44.6 | Very low | 169 Ų | 169 | 157.8 Ų | 157.8 | 78% | 0.782 | 81% | 0.807 | S | S | * | * | | | trans | 90.1 | 105.2 | 161.7 | -127.6 | -121.7 | 0 | 0 | 0 | 113.2 | | |
| 224 | M | 46.8 | Very low | 44.9 | Very low | 134 Ų | 134 | 154.5 Ų | 154.5 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | S | Bend | | -179.8 | 37 | 71.9 | -95 | -69.7 | -84.5 | 0 | 0 | 114.9 | | |
| 225 | H | 44.1 | Very low | 45 | Very low | 186 Ų | 186 | 157 Ų | 157 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | | | trans | -141.1 | 72.7 | 179.2 | -79.3 | -70.3 | 0 | 0 | 0 | 114.6 | | |
| 226 | D | 40.8 | Very low | 45 | Very low | 163 Ų | 163 | 156.3 Ų | 156.3 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | | | trans | -150 | 77.4 | 161.6 | -96.7 | -45 | 0 | 0 | 0 | 110.2 | | |
| 227 | V | 50.1 | Low | 45.1 | Very low | 144 Ų | 144 | 156.7 Ų | 156.7 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -128.4 | -3.4 | 168.4 | 177.8 | 0 | 0 | 0 | 0 | 113 | | |
| 228 | Y | 49.9 | Very low | 45.6 | Very low | 200 Ų | 200 | 157.5 Ų | 157.5 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -136.9 | 120.5 | 176.8 | -134 | -112.4 | 0 | 0 | 0 | 112.1 | | |
| 229 | M | 45.9 | Very low | 45.8 | Very low | 153 Ų | 153 | 161.7 Ų | 161.7 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 92.2 | 61.6 | 164.9 | -52.9 | -53.1 | -160.9 | 0 | 0 | 119.4 | | |
| 230 | R | 39.4 | Very low | 45.8 | Very low | 243 Ų | 243 | 164.6 Ų | 164.6 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | | | trans | -155 | 62.8 | 137.4 | -136 | 172.2 | -122.7 | -113.4 | 1.9 | 115.5 | | |
| 231 | H | 48.5 | Very low | 45.6 | Very low | 174 Ų | 174 | 168.6 Ų | 168.6 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | | | trans | -85.9 | 109.8 | 150.7 | -78.5 | 78.4 | 0 | 0 | 0 | 107.5 | | |
| 232 | H | 45.3 | Very low | 46.1 | Very low | 183 Ų | 183 | 162.8 Ų | 162.8 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | | | | 174.8 | 146.5 | 126.8 | -80.4 | -56 | 0 | 0 | 0 | 110.5 | | |
| 233 | H | 50.3 | Low | 46.3 | Very low | 188 Ų | 188 | 167.2 Ų | 167.2 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | | | trans | -93.5 | 175.3 | -151.9 | -93.3 | -3.9 | 0 | 0 | 0 | 114.6 | | |
| 234 | P | 58.4 | Low | 46.1 | Very low | 102 Ų | 102 | 165.8 Ų | 165.8 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | | | trans | -92.8 | 162.2 | -162.3 | 37.3 | -31.2 | 0 | 0 | 0 | 112.1 | | |
| 235 | H | 38.8 | Very low | 46 | Very low | 180 Ų | 180 | 167.9 Ų | 167.9 | 83% | 0.833 | 79% | 0.789 | S | S | * | * | | | trans | -153.8 | 121.8 | 148.3 | -100.9 | -67.2 | 0 | 0 | 0 | 112.2 | | |
| 236 | A | 44.7 | Very low | 45.9 | Very low | 89 Ų | 89 | 165.7 Ų | 165.7 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | | | trans | -75.3 | 142.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 237 | H | 46.3 | Very low | 45.8 | Very low | 180 Ų | 180 | 165.6 Ų | 165.6 | 83% | 0.833 | 77% | 0.772 | S | S | * | * | | | trans | -133.5 | 140 | 158.7 | -74.5 | -72.5 | 0 | 0 | 0 | 111.4 | | |
| 238 | M | 47.6 | Very low | 45.2 | Very low | 150 Ų | 150 | 165.3 Ų | 165.3 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | | | trans | -91.9 | 146.2 | -168.5 | -98.8 | -88.2 | -178.5 | 0 | 0 | 111.5 | | |
| 239 | R | 45.8 | Very low | 44.8 | Very low | 202 Ų | 202 | 163.7 Ų | 163.7 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | trans | 83.6 | 119.2 | 145.3 | -54.5 | -103.3 | -179.1 | -134.6 | -1.6 | 119.9 | | |
| 240 | H | 42.8 | Very low | 45.6 | Very low | 183 Ų | 183 | 161.5 Ų | 161.5 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | | | | 160.6 | 155.5 | 120.2 | -85.4 | -20.7 | 0 | 0 | 0 | 108.7 | | |
| 241 | R | 41.9 | Very low | 46.1 | Very low | 191 Ų | 191 | 155.9 Ų | 155.9 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | | | cis | -176.9 | 136.8 | -32.1 | 169.4 | 162.2 | -173.3 | 170 | 1.4 | 103.5 | | |
| 242 | H | 44.8 | Very low | 45.6 | Very low | 113 Ų | 113 | 152.6 Ų | 152.6 | 52% | 0.523 | 76% | 0.756 | S | S | . | * | | | trans | 67.1 | 120.9 | 158.2 | -68.5 | -23.4 | 0 | 0 | 0 | 121.5 | | |
| 243 | H | 49.7 | Very low | 45.3 | Very low | 184 Ų | 184 | 147.8 Ų | 147.8 | 85% | 0.852 | 76% | 0.756 | S | S | * | * | | | | -167.8 | 147.6 | 92.1 | -100.8 | -70.7 | 0 | 0 | 0 | 113.2 | | |
| 244 | H | 46 | Very low | 44.6 | Very low | 140 Ų | 140 | 144 Ų | 144 | 65% | 0.648 | 75% | 0.751 | S | S | * | * | | | trans | -73.6 | 151.3 | -177.5 | -69.7 | -99.9 | 0 | 0 | 0 | 114.4 | | |
| 245 | H | 45.5 | Very low | 44.1 | Very low | 177 Ų | 177 | 143.8 Ų | 143.8 | 82% | 0.819 | 76% | 0.757 | S | S | * | * | | | | -178.9 | 153.5 | 102.5 | -116.2 | 39.3 | 0 | 0 | 0 | 113.7 | | |
| 246 | H | 41.2 | Very low | 44.4 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 65% | 0.648 | 76% | 0.756 | S | S | * | * | | | trans | -86.8 | 173.3 | -165.2 | -90.4 | -93.6 | 0 | 0 | 0 | 116 | | |
| 247 | H | 39.3 | Very low | 44.2 | Very low | 161 Ų | 161 | 144 Ų | 144 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | | | trans | 121.5 | 102.2 | 147.8 | -65.3 | -75.4 | 0 | 0 | 0 | 113.4 | | |
| 248 | H | 37.4 | Very low | 44.4 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | | | | 101.6 | 99.2 | 60.8 | -85.6 | -60.4 | 0 | 0 | 0 | 113.4 | | |
| 249 | H | 41.7 | Very low | 44.5 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | | | trans | 52.9 | 145.8 | 144.8 | -59.2 | -66.2 | 0 | 0 | 0 | 126.7 | | |
| 250 | P | 62.4 | Low | 44.4 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | | | trans | -88.5 | 179.4 | 165.6 | 44.8 | -37.9 | 0 | 0 | 0 | 110.4 | | |
| 251 | P | 49 | Very low | 44.9 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | | -160.1 | 176.4 | 58.6 | 39.9 | -15.4 | 0 | 0 | 0 | 117.5 | | |
| 252 | A | 39.7 | Very low | 45.2 | Very low | 105 Ų | 105 | 130 Ų | 130 | 87% | 0.868 | 74% | 0.744 | S | S | * | * | | | trans | -156.4 | 105.7 | 148.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 253 | G | 37.2 | Very low | 45.7 | Very low | 82 Ų | 82 | 131.9 Ų | 131.9 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | | | trans | -84.7 | 149.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 254 | S | 35.5 | Very low | 45.6 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | trans | -129.5 | 108.3 | 154.7 | -164.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 255 | A | 49.5 | Very low | 45.9 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | | | trans | -88.3 | 114.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 256 | L | 44.1 | Very low | 45.5 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | | | trans | -144.7 | 113.3 | 162.5 | -71.3 | 177.3 | 0 | 0 | 0 | 109.2 | | |
| 257 | D | 41.9 | Very low | 45.5 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 63% | 0.631 | 76% | 0.755 | S | S | * | * | | | trans | 57.2 | 119.8 | 145.3 | -150.8 | -20.7 | 0 | 0 | 0 | 120.6 | S259 | D257-S259 PolarHBondContact O-N 3.25Å; D257-S259 PolarHBondContact OD1-N 3.35Å; D257-S259 PolarHBondContact OD1-OG 2.68Å; D257-S259 PolarHBondContact OD2-OG 3.39Å |
| 258 | P | 50.1 | Low | 45.9 | Very low | 141 Ų | 141 | 124.8 Ų | 124.8 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -80.9 | 10.7 | 172.5 | 33.8 | -33.7 | 0 | 0 | 0 | 114.6 | | |
| 259 | S | 49.9 | Very low | 46.3 | Very low | 60 Ų | 60 | 125.9 Ų | 125.9 | 42% | 0.42 | 77% | 0.765 | S | S | . | * | | | trans | -98.9 | 134.1 | 172.1 | 62.7 | 0 | 0 | 0 | 0 | 110.3 | D257 | D257-S259 PolarHBondContact O-N 3.25Å; D257-S259 PolarHBondContact OD1-N 3.35Å; D257-S259 PolarHBondContact OD1-OG 2.68Å; D257-S259 PolarHBondContact OD2-OG 3.39Å |
| 260 | Y | 42.3 | Very low | 46.3 | Very low | 218 Ų | 218 | 122.6 Ų | 122.6 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | | | trans | 91.2 | 85.2 | -176.2 | -58.6 | -83 | 0 | 0 | 0 | 116.4 | | |
| 261 | G | 53.6 | Low | 45 | Very low | 80 Ų | 80 | 122 Ų | 122 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | | | trans | -78.7 | 143.7 | 150.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 262 | P | 48.8 | Very low | 44.8 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -132.5 | 122.5 | 146.6 | 30 | -13.1 | 0 | 0 | 0 | 111.8 | | |
| 263 | L | 54.6 | Low | 44.9 | Very low | 153 Ų | 153 | 129.2 Ų | 129.2 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | | | trans | 51.4 | 89.2 | 143.9 | -52.3 | 177.3 | 0 | 0 | 0 | 117.2 | M265 | L263-M265 VanDerWaalsContact C-N 3.33Å; L263-M265 PolarHBondContact O-N 3.36Å |
| 264 | L | 48.7 | Very low | 45 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | | | trans | -58.9 | 95 | 154.4 | -85.9 | 149.4 | 0 | 0 | 0 | 109.3 | | |
| 265 | M | 50.9 | Low | 45.3 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | | | trans | -75.6 | 126.9 | 150.8 | -70.7 | -67.2 | 98.5 | 0 | 0 | 107.1 | L263 S267 | L263-M265 VanDerWaalsContact C-N 3.33Å; L263-M265 PolarHBondContact O-N 3.36Å; M265-S267 PolarHBondContact O-N 3.14Å |
| 266 | P | 37.9 | Very low | 44.9 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | | | trans | -60.5 | 111.7 | 170 | -18.6 | 30.6 | 0 | 0 | 0 | 108.6 | V268 | P266-V268 PolarHBondContact O-N 3.25Š|
| 267 | S | 41.9 | Very low | 44.7 | Very low | 82 Ų | 82 | 131.1 Ų | 131.1 | 57% | 0.573 | 76% | 0.759 | S | S | * | * | | | trans | -63.7 | 104.9 | 167.9 | 179.8 | 0 | 0 | 0 | 0 | 107.7 | M265 H269 | M265-S267 PolarHBondContact O-N 3.14Å; S267-H269 PolarHBondContact O-N 3.13Å; S267-H269 PolarHBondContact OG-CD2 2.82Å; S267-H269 VanDerWaalsContact OG-CD2 3.25Å; S267-H269 PolarHBondContact OG-CE1 3.29Å; S267-H269 PolarHBondContact OG-NE2 3.41Å |
| 268 | V | 47.5 | Very low | 44.4 | Very low | 140 Ų | 140 | 131.4 Ų | 131.4 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | | | trans | -69.3 | 87.6 | 165 | -84.3 | 0 | 0 | 0 | 0 | 107.7 | P266 A270 | P266-V268 PolarHBondContact O-N 3.25Å; V268-A270 PolarHBondContact O-N 3.17Å; V268-A270 VanDerWaalsContact O-N 3.08Å |
| 269 | H | 46 | Very low | 43.5 | Very low | 161 Ų | 161 | 131 Ų | 131 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | | | trans | -67.7 | 105.9 | 164.4 | -71.4 | -80.9 | 0 | 0 | 0 | 107.7 | S267 A271 | S267-H269 PolarHBondContact O-N 3.13Å; S267-H269 PolarHBondContact OG-CD2 2.82Å; S267-H269 VanDerWaalsContact OG-CD2 3.25Å; S267-H269 PolarHBondContact OG-CE1 3.29Å; S267-H269 PolarHBondContact OG-NE2 3.41Å; H269-A271 PolarHBondContact O-N 2.86Å |
| 270 | A | 40.2 | Very low | 43.3 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | -58 | 108.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | V268 R272 | V268-A270 PolarHBondContact O-N 3.17Å; V268-A270 VanDerWaalsContact O-N 3.08Å; A270-R272 VanDerWaalsContact C-N 3.3Å; A270-R272 PolarHBondContact O-N 3.43Å |
| 271 | A | 34.9 | Very low | 42.9 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | -63.5 | 94.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | H269 I273 | H269-A271 PolarHBondContact O-N 2.86Å; A271-I273 PolarHBondContact O-N 3.38Å; A271-I273 VanDerWaalsContact O-N 3.1Å |
| 272 | R | 45.3 | Very low | 42.3 | Very low | 233 Ų | 233 | 137.6 Ų | 137.6 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | | | trans | -72 | 98.7 | 167.3 | -178.4 | -178.9 | -97.9 | 149 | -7.8 | 106.8 | A270 P274 | A270-R272 VanDerWaalsContact C-N 3.3Å; A270-R272 PolarHBondContact O-N 3.43Å; R272-P274 WeakPolarHBondContact O-CD 3.4Å |
| 273 | I | 41.9 | Very low | 41.7 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 125.6 | 167.9 | -57.4 | 173.2 | 0 | 0 | 0 | 107.1 | A271 A275 | A271-I273 PolarHBondContact O-N 3.38Å; A271-I273 VanDerWaalsContact O-N 3.1Å; I273-A275 PolarHBondContact O-N 3.4Å |
| 274 | P | 39.3 | Very low | 40.6 | Very low | 115 Ų | 115 | 140 Ų | 140 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 126.4 | 169.5 | -14.2 | 29 | 0 | 0 | 0 | 109.1 | R272 | R272-P274 WeakPolarHBondContact O-CD 3.4Š|
| 275 | A | 41.7 | Very low | 40.6 | Very low | 88 Ų | 88 | 136.6 Ų | 136.6 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 139.5 | 171 | 0 | 0 | 0 | 0 | 0 | 109.9 | I273 Q277 | I273-A275 PolarHBondContact O-N 3.4Å; A275-Q277 PolarHBondContact O-N 3.15Å |
| 276 | P | 40.8 | Very low | 39.9 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 125.2 | 172.9 | 26.1 | -30.8 | 0 | 0 | 0 | 109.7 | C278 | P276-C278 PolarHBondContact O-N 3.34Š|
| 277 | Q | 41.1 | Very low | 39.6 | Very low | 160 Ų | 160 | 136.6 Ų | 136.6 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -67.7 | 113.8 | 171.8 | 176.6 | -179.2 | -40.3 | 0 | 0 | 109 | A275 D279 | A275-Q277 PolarHBondContact O-N 3.15Å; Q277-D279 PolarHBondContact NE2-OD2 3.34Å |
| 278 | C | 34.2 | Very low | 39.8 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | | | trans | -87.8 | 105.3 | 170.9 | -0 | 0 | 0 | 0 | 0 | 108.6 | P276 | P276-C278 PolarHBondContact O-N 3.34Š|
| 279 | D | 32.3 | Very low | 39.4 | Very low | 133 Ų | 133 | 138.8 Ų | 138.8 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | | | trans | -78.5 | 127.5 | 166.4 | -93.1 | -52.3 | 0 | 0 | 0 | 110 | Q277 | Q277-D279 PolarHBondContact NE2-OD2 3.34Š|
| 280 | I | 45.4 | Very low | 39.1 | Very low | 163 Ų | 163 | 135.7 Ų | 135.7 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | | | trans | -89.7 | 109.5 | -176.1 | -144.5 | 158.3 | 0 | 0 | 0 | 108.4 | | |
| 281 | T | 33.3 | Very low | 38.9 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -140.7 | 92.2 | 163.5 | 56 | 0 | 0 | 0 | 0 | 111 | | |
| 282 | K | 41.8 | Very low | 39.2 | Very low | 202 Ų | 202 | 137.7 Ų | 137.7 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | | | trans | 7.8 | 112.3 | 141.9 | -178 | 179.7 | 175.7 | 176.5 | 0 | 116.1 | | |
| 283 | T | 35.3 | Very low | 38.9 | Very low | 136 Ų | 136 | 131 Ų | 131 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | trans | -167.5 | 135.2 | 132.9 | -53.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 284 | E | 31.5 | Very low | 38.9 | Very low | 181 Ų | 181 | 128.9 Ų | 128.9 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | | | trans | 4.7 | 157.3 | 172.2 | -98.8 | -154.8 | 123.5 | 0 | 0 | 126.3 | | |
| 285 | P | 48.8 | Very low | 39.1 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | | | trans | -97.5 | 133.2 | -171.6 | 37.9 | -28.3 | 0 | 0 | 0 | 113.3 | | |
| 286 | T | 35.9 | Very low | 39 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | | | trans | -166.1 | 136.8 | 150.5 | 6.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 287 | T | 33.3 | Very low | 38.9 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | 77.9 | 99 | 170 | -43.8 | 0 | 0 | 0 | 0 | 115.8 | T289 | T287-T289 PolarHBondContact O-N 3.1Å; T287-T289 VanDerWaalsContact O-N 3.11Å |
| 288 | V | 45.6 | Very low | 39.2 | Very low | 146 Ų | 146 | 126.2 Ų | 126.2 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | | | trans | -68.1 | 99.7 | 169.7 | -152.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 289 | T | 38.2 | Very low | 39.5 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | -101 | 110.4 | 164.6 | -58.8 | 0 | 0 | 0 | 0 | 106.9 | T287 A291 | T287-T289 PolarHBondContact O-N 3.1Å; T287-T289 VanDerWaalsContact O-N 3.11Å; T289-A291 PolarHBondContact O-N 3.36Å |
| 290 | S | 39.6 | Very low | 39.9 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | trans | -45.9 | 120.7 | 172.4 | -65.4 | 0 | 0 | 0 | 0 | 111 | T292 | S290-T292 VanDerWaalsContact C-N 3.25Å; S290-T292 PolarHBondContact O-N 3.31Å |
| 291 | A | 37.3 | Very low | 39.6 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | | | trans | -74.2 | 86.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | T289 S293 | T289-A291 PolarHBondContact O-N 3.36Å; A291-S293 PolarHBondContact O-N 3.38Å |
| 292 | T | 41 | Very low | 40 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | trans | -66.5 | 122 | 168.1 | 16.7 | 0 | 0 | 0 | 0 | 108.9 | S290 A294 | S290-T292 VanDerWaalsContact C-N 3.25Å; S290-T292 PolarHBondContact O-N 3.31Å; T292-A294 PolarHBondContact O-N 2.96Å |
| 293 | S | 37.8 | Very low | 40.2 | Very low | 91 Ų | 91 | 124.2 Ų | 124.2 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | | | trans | -55.2 | 123.8 | 175.3 | -159.3 | 0 | 0 | 0 | 0 | 110.4 | A291 W295 | A291-S293 PolarHBondContact O-N 3.38Å; S293-W295 PolarHBondContact O-N 3.4Å; S293-W295 VanDerWaalsContact O-N 3.1Å; S293-W295 VanDerWaalsContact OG-CD1 3.28Å; S293-W295 PolarHBondContact OG-NE1 3.13Å |
| 294 | A | 42.6 | Very low | 40.4 | Very low | 104 Ų | 104 | 124.4 Ų | 124.4 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | trans | -82.4 | 85.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | T292 | T292-A294 PolarHBondContact O-N 2.96Š|
| 295 | W | 43.1 | Very low | 41.1 | Very low | 186 Ų | 186 | 122.6 Ų | 122.6 | 71% | 0.705 | 76% | 0.762 | S | S | * | * | | | trans | -128.8 | 70.3 | 158.2 | 26.1 | -58.3 | 0 | 0 | 0 | 106.9 | S293 G297 | S293-W295 PolarHBondContact O-N 3.4Å; S293-W295 VanDerWaalsContact O-N 3.1Å; S293-W295 VanDerWaalsContact OG-CD1 3.28Å; S293-W295 PolarHBondContact OG-NE1 3.13Å; W295-G297 PolarHBondContact O-N 2.95Å |
| 296 | A | 41.1 | Very low | 40.6 | Very low | 101 Ų | 101 | 122.6 Ų | 122.6 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | | | trans | -81.5 | 97.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 297 | G | 38.3 | Very low | 41.3 | Very low | 52 Ų | 52 | 122.2 Ų | 122.2 | 54% | 0.536 | 76% | 0.759 | S | S | . | * | | | trans | -56.6 | 134.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | W295 F299 | W295-G297 PolarHBondContact O-N 2.95Å; G297-F299 PolarHBondContact O-N 3Å; G297-F299 VanDerWaalsContact O-N 3.08Å |
| 298 | A | 45.9 | Very low | 41.7 | Very low | 88 Ų | 88 | 121.1 Ų | 121.1 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | -68.8 | 100.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 299 | F | 40.8 | Very low | 41.3 | Very low | 192 Ų | 192 | 121 Ų | 121 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | | | trans | -115.6 | 92.6 | 160.8 | -52.7 | -77.6 | 0 | 0 | 0 | 107.8 | G297 G301 | G297-F299 PolarHBondContact O-N 3Å; G297-F299 VanDerWaalsContact O-N 3.08Å; F299-G301 PolarHBondContact O-N 3.31Å |
| 300 | H | 41.1 | Very low | 41.4 | Very low | 192 Ų | 192 | 119 Ų | 119 | 89% | 0.889 | 76% | 0.76 | S | S | * | * | | | trans | -83 | 93.3 | 166.3 | -76.5 | -86.6 | 0 | 0 | 0 | 108.4 | | |
| 301 | G | 39.6 | Very low | 41.4 | Very low | 66 Ų | 66 | 124 Ų | 124 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | | | trans | -137.4 | 85.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | F299 V303 | F299-G301 PolarHBondContact O-N 3.31Å; G301-V303 PolarHBondContact O-N 3.23Å; G301-V303 VanDerWaalsContact O-N 3.12Å |
| 302 | T | 41.2 | Very low | 41.7 | Very low | 143 Ų | 143 | 125.5 Ų | 125.5 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | | | trans | -70.8 | 103.9 | 171.6 | -165.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 303 | V | 45.8 | Very low | 41.5 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | | | trans | -108.9 | 108.6 | 156.1 | 176.1 | 0 | 0 | 0 | 0 | 105.7 | G301 I305 | G301-V303 PolarHBondContact O-N 3.23Å; G301-V303 VanDerWaalsContact O-N 3.12Å; V303-I305 HydrophobicContact CG1-CG1 4.18Å; V303-I305 PolarHBondContact O-N 3.07Å; V303-I305 VanDerWaalsContact O-N 3.17Å |
| 304 | D | 40.6 | Very low | 41.5 | Very low | 139 Ų | 139 | 124.2 Ų | 124.2 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | | | trans | -62.3 | 103.8 | 171.7 | -167.3 | 5.8 | 0 | 0 | 0 | 108.2 | | |
| 305 | I | 45.2 | Very low | 41.4 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | | | trans | -101.3 | 92.7 | 170 | -60.4 | 170.5 | 0 | 0 | 0 | 106.6 | V303 P307 | V303-I305 HydrophobicContact CG1-CG1 4.18Å; V303-I305 PolarHBondContact O-N 3.07Å; V303-I305 VanDerWaalsContact O-N 3.17Å; I305-P307 WeakPolarHBondContact O-CD 3.4Å |
| 306 | V | 39.2 | Very low | 41.6 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 61% | 0.606 | 77% | 0.771 | S | S | * | * | | | trans | -56 | 121.2 | 168.7 | 170.6 | 0 | 0 | 0 | 0 | 109.7 | S308 | V306-S308 PolarHBondContact O-N 3.49Š|
| 307 | P | 49.7 | Very low | 41.5 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | | | trans | -92 | 91.5 | 166.2 | 33 | -23.4 | 0 | 0 | 0 | 107.7 | I305 | I305-P307 WeakPolarHBondContact O-CD 3.4Š|
| 308 | S | 41.5 | Very low | 41.7 | Very low | 99 Ų | 99 | 133.3 Ų | 133.3 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | | | trans | -154.3 | 93.9 | 167 | -158.7 | 0 | 0 | 0 | 0 | 111.5 | V306 | V306-S308 PolarHBondContact O-N 3.49Š|
| 309 | V | 38.7 | Very low | 41.1 | Very low | 145 Ų | 145 | 136 Ų | 136 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | | | trans | -153.4 | 105 | 137.9 | -84.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 310 | G | 40.3 | Very low | 41.2 | Very low | 79 Ų | 79 | 134.4 Ų | 134.4 | 81% | 0.814 | 77% | 0.766 | S | S | * | * | | | trans | -74.2 | 133.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 311 | F | 38.8 | Very low | 41.3 | Very low | 201 Ų | 201 | 130.9 Ų | 130.9 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | | | trans | -134 | 112.1 | 157.4 | -147.6 | -92.3 | 0 | 0 | 0 | 108.7 | | |
| 312 | D | 44.4 | Very low | 41.6 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | | | trans | -79.6 | 133 | 172.5 | 174.6 | -90.5 | 0 | 0 | 0 | 109.3 | | |
| 313 | T | 36.5 | Very low | 42.1 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | | 176 | 136.7 | 129.3 | 22.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 314 | G | 38.1 | Very low | 42.1 | Very low | 72 Ų | 72 | 137.4 Ų | 137.4 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | | | trans | -84.5 | 172.6 | -162.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 315 | L | 40.5 | Very low | 42.8 | Very low | 173 Ų | 173 | 136 Ų | 136 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | | | trans | -137.1 | 115.2 | 147.3 | -131.5 | 101.5 | 0 | 0 | 0 | 108.8 | H317 | L315-H317 PolarHBondContact O-N 3.11Š|
| 316 | Q | 47 | Very low | 43.1 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | | | trans | -60.4 | 124.7 | 165.1 | -82.6 | -113.1 | 50.9 | 0 | 0 | 109.8 | | |
| 317 | H | 38.4 | Very low | 43.2 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | | | trans | -129.5 | 100.3 | 152.3 | -152.3 | -107.1 | 0 | 0 | 0 | 108.7 | L315 D319 | L315-H317 PolarHBondContact O-N 3.11Å; H317-D319 PolarHBondContact O-N 3.46Å |
| 318 | Q | 41.5 | Very low | 42.9 | Very low | 124 Ų | 124 | 151.4 Ų | 151.4 | 58% | 0.579 | 80% | 0.799 | S | S | * | * | | | trans | -65.7 | 119.3 | 164.7 | -90.9 | -151.1 | 29.6 | 0 | 0 | 108.6 | K320 | Q318-K320 HydrophobicContact CB-CG 4.5Š|
| 319 | D | 34.1 | Very low | 43 | Very low | 143 Ų | 143 | 154.2 Ų | 154.2 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | | | trans | -95.2 | 108.3 | 153.2 | -154.2 | -86.4 | 0 | 0 | 0 | 108.3 | H317 S321 | H317-D319 PolarHBondContact O-N 3.46Å; D319-S321 PolarHBondContact O-N 3.43Å |
| 320 | K | 42.8 | Very low | 43.2 | Very low | 160 Ų | 160 | 154.7 Ų | 154.7 | 70% | 0.696 | 80% | 0.8 | S | S | * | * | | | trans | -86.8 | 101 | 174.6 | -71.1 | 168.9 | 157.5 | -171.1 | 0 | 107.5 | Q318 K322 | Q318-K320 HydrophobicContact CB-CG 4.5Å; K320-K322 PolarHBondContact O-N 2.96Å |
| 321 | S | 44.1 | Very low | 43.4 | Very low | 117 Ų | 117 | 159.1 Ų | 159.1 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -61.5 | 100.8 | 158 | 59.1 | 0 | 0 | 0 | 0 | 108.8 | D319 | D319-S321 PolarHBondContact O-N 3.43Š|
| 322 | K | 45.6 | Very low | 43.7 | Very low | 179 Ų | 179 | 156.5 Ų | 156.5 | 78% | 0.778 | 80% | 0.795 | S | S | * | * | | | trans | -117.1 | 92.4 | 165.5 | -164.5 | 172 | -177.6 | -175.2 | 0 | 108.1 | K320 | K320-K322 PolarHBondContact O-N 2.96Š|
| 323 | E | 52.2 | Low | 43.6 | Very low | 186 Ų | 186 | 157.8 Ų | 157.8 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | | | trans | -50.7 | 139.3 | 154.3 | -78.6 | -173.7 | 120.2 | 0 | 0 | 109.3 | | |
| 324 | S | 45.5 | Very low | 44.1 | Very low | 100 Ų | 100 | 160.4 Ų | 160.4 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | | | trans | -141 | 114.5 | 156.9 | -69.4 | 0 | 0 | 0 | 0 | 107.5 | | |
| 325 | P | 55.8 | Low | 44.6 | Very low | 109 Ų | 109 | 167.2 Ų | 167.2 | 71% | 0.708 | 81% | 0.807 | S | S | * | * | | | trans | -86 | 140.1 | 170.5 | 33 | -28.1 | 0 | 0 | 0 | 110.3 | | |
| 326 | W | 50 | Low | 45 | Very low | 241 Ų | 241 | 166.8 Ų | 166.8 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | | | trans | 12.4 | 113.1 | 146.4 | -50.7 | 90.3 | 0 | 0 | 0 | 118.5 | | |
| 327 | Y | 42.7 | Very low | 44.8 | Very low | 304 Ų | 304 | 166.7 Ų | 166.7 | 100% | 1.192 | 80% | 0.801 | S | S | * | * | | | | 175.8 | 0 | 108.6 | -111.3 | -83 | 0 | 0 | 0 | 111 | | |