| 1 | M | 42.9 | Very low | 50.9 | Low | 238 Ų | 238 | 171.4 Ų | 171.4 | 100% | 1.172 | 82% | 0.816 | S | S | * | * | | | | 0 | 108.2 | 0 | -70.5 | 178.6 | -146.5 | 0 | 0 | 107.7 | | |
| 2 | E | 54.3 | Low | 50.9 | Low | 157 Ų | 157 | 167.9 Ų | 167.9 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | | | trans | 33.5 | 108.8 | 135.8 | -152.2 | 151.9 | -130.7 | 0 | 0 | 118.5 | F4 | E2-F4 HydrophobicContact CG-CD2 3.41Å; E2-F4 VanDerWaalsContact CG-CD2 3.41Å; E2-F4 HydrophobicContact CG-CE2 3.46Å; E2-F4 VanDerWaalsContact CG-CE2 3.46Å; E2-F4 HydrophobicContact CG-CG 4.34Å; E2-F4 HydrophobicContact CG-CZ 4.39Å; E2-F4 WeakPolarHBondContact OE1-CE2 2.98Å |
| 3 | K | 58.2 | Low | 50.3 | Low | 172 Ų | 172 | 167.6 Ų | 167.6 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | | | trans | -99.4 | 100.7 | 159.1 | -63.7 | -178.7 | -176.7 | -177.1 | 0 | 107.5 | Y5 | K3-Y5 HydrophobicContact CB-CD2 4.44Å; K3-Y5 HydrophobicContact CB-CE2 4.15Å; K3-Y5 HydrophobicContact CD-CE2 4.25Å |
| 4 | F | 51.4 | Low | 50 | Low | 173 Ų | 173 | 166.3 Ų | 166.3 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | | | trans | -90.8 | 109 | 161.3 | -84.7 | -66.6 | 0 | 0 | 0 | 108.8 | E2 | E2-F4 HydrophobicContact CG-CD2 3.41Å; E2-F4 VanDerWaalsContact CG-CD2 3.41Å; E2-F4 HydrophobicContact CG-CE2 3.46Å; E2-F4 VanDerWaalsContact CG-CE2 3.46Å; E2-F4 HydrophobicContact CG-CG 4.34Å; E2-F4 HydrophobicContact CG-CZ 4.39Å; E2-F4 WeakPolarHBondContact OE1-CE2 2.98Å |
| 5 | Y | 50.8 | Low | 49.5 | Very low | 197 Ų | 197 | 166.9 Ų | 166.9 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | trans | -89.3 | 109.5 | 158.5 | -68.2 | -86.2 | 0 | 0 | 0 | 107.4 | K3 | K3-Y5 HydrophobicContact CB-CD2 4.44Å; K3-Y5 HydrophobicContact CB-CE2 4.15Å; K3-Y5 HydrophobicContact CD-CE2 4.25Å |
| 6 | K | 55.5 | Low | 48.6 | Very low | 197 Ų | 197 | 160.9 Ų | 160.9 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | | | trans | -160.9 | 96.7 | 157.7 | -133.4 | 169.3 | -174.1 | 178.3 | 0 | 110.7 | | |
| 7 | E | 46 | Very low | 48.4 | Very low | 149 Ų | 149 | 164 Ų | 164 | 70% | 0.696 | 81% | 0.812 | S | S | * | * | | | trans | -153.5 | 84.5 | 153.8 | -158.6 | 152.6 | -138.1 | 0 | 0 | 109.3 | E9 | E7-E9 VanDerWaalsContact C-N 3.27Å; E7-E9 HydrophobicContact CG-CB 4.2Å; E7-E9 HydrophobicContact CG-CG 3.59Å; E7-E9 PolarHBondContact O-N 3.07Å; E7-E9 VanDerWaalsContact OE1-CD 3.32Å |
| 8 | N | 53.2 | Low | 48.1 | Very low | 168 Ų | 168 | 160.2 Ų | 160.2 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | | | trans | -88.6 | 76.2 | 154.9 | -66.1 | -43.8 | 0 | 0 | 0 | 106.1 | | |
| 9 | E | 45.7 | Very low | 47.6 | Very low | 162 Ų | 162 | 162.1 Ų | 162.1 | 76% | 0.757 | 82% | 0.817 | S | S | * | * | | | trans | -76.4 | 123.2 | 157.8 | -79.1 | -176.7 | 141.1 | 0 | 0 | 106 | E7 | E7-E9 VanDerWaalsContact C-N 3.27Å; E7-E9 HydrophobicContact CG-CB 4.2Å; E7-E9 HydrophobicContact CG-CG 3.59Å; E7-E9 PolarHBondContact O-N 3.07Å; E7-E9 VanDerWaalsContact OE1-CD 3.32Å |
| 10 | G | 42.7 | Very low | 47.3 | Very low | 68 Ų | 68 | 162.1 Ų | 162.1 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | | | | 124 | 96.9 | 51.7 | 0 | 0 | 0 | 0 | 0 | 104.3 | | |
| 11 | K | 59.2 | Low | 47.1 | Very low | 204 Ų | 204 | 163.2 Ų | 163.2 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | | | trans | -57.7 | 142.5 | 178.6 | -72.2 | 173.9 | 176.9 | 176.7 | 0 | 109.7 | E13 | K11-E13 PolarHBondContact O-N 3.43Š|
| 12 | P | 51.4 | Low | 46.6 | Very low | 130 Ų | 130 | 155.4 Ų | 155.4 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | | | trans | -67.5 | 131.2 | 176.1 | 26.3 | -32.4 | 0 | 0 | 0 | 111.6 | N14 | P12-N14 PolarHBondContact O-N 3.36Š|
| 13 | E | 42 | Very low | 45.7 | Very low | 164 Ų | 164 | 153.3 Ų | 153.3 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | | | trans | -58.3 | 111.9 | 174.1 | -162.4 | 176 | -161.7 | 0 | 0 | 110.7 | K11 K15 | K11-E13 PolarHBondContact O-N 3.43Å; E13-K15 PolarHBondContact O-N 3.48Å |
| 14 | N | 47.3 | Very low | 44.9 | Very low | 149 Ų | 149 | 151.4 Ų | 151.4 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | | | trans | -72.3 | 102.6 | 168.4 | 178.1 | -16 | 0 | 0 | 0 | 108.3 | P12 G16 | P12-N14 PolarHBondContact O-N 3.36Å; N14-G16 PolarHBondContact O-N 3.37Å |
| 15 | K | 42 | Very low | 44.4 | Very low | 176 Ų | 176 | 152 Ų | 152 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | | | trans | -80.5 | 112 | 167.3 | -77.8 | -170.7 | 176.8 | -176 | 0 | 110.4 | E13 | E13-K15 PolarHBondContact O-N 3.48Š|
| 16 | G | 35.7 | Very low | 43.7 | Very low | 71 Ų | 71 | 151.8 Ų | 151.8 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | | | trans | 75.1 | 94.2 | 138.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | N14 | N14-G16 PolarHBondContact O-N 3.37Š|
| 17 | K | 43.7 | Very low | 42.8 | Very low | 213 Ų | 213 | 146 Ų | 146 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | | | trans | -114.3 | 136.4 | 141.9 | -101.9 | -170.9 | 176.4 | -173.1 | 0 | 109.1 | | |
| 18 | A | 43.5 | Very low | 42.2 | Very low | 96 Ų | 96 | 142.8 Ų | 142.8 | 79% | 0.793 | 82% | 0.822 | S | S | * | * | | | trans | -61.9 | 161.2 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 19 | E | 38.5 | Very low | 41.6 | Very low | 195 Ų | 195 | 144.8 Ų | 144.8 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | | | trans | -41.6 | 129.1 | 164.5 | -63.2 | 165.7 | 138.8 | 0 | 0 | 111.5 | | |
| 20 | D | 42.3 | Very low | 41.4 | Very low | 163 Ų | 163 | 142 Ų | 142 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | | | trans | -134.9 | 117.4 | 157.8 | -167.8 | 41.6 | 0 | 0 | 0 | 107.3 | | |
| 21 | E | 42.7 | Very low | 41.1 | Very low | 186 Ų | 186 | 145.2 Ų | 145.2 | 87% | 0.869 | 83% | 0.829 | S | S | * | * | | | trans | -68 | 140.2 | 179.2 | -60.5 | -177.3 | 147.8 | 0 | 0 | 110.2 | | |
| 22 | G | 33.2 | Very low | 40.3 | Very low | 74 Ų | 74 | 141.8 Ų | 141.8 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | | | trans | 160.6 | 107.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 23 | S | 35.2 | Very low | 39.7 | Very low | 112 Ų | 112 | 142.7 Ų | 142.7 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | | | trans | -39 | 146.1 | 167.4 | 54.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 24 | T | 41.2 | Very low | 40 | Very low | 133 Ų | 133 | 142.4 Ų | 142.4 | 82% | 0.816 | 81% | 0.81 | S | S | * | * | | | | -174.8 | 130.1 | 106.3 | -62.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 25 | E | 40 | Very low | 40.1 | Very low | 184 Ų | 184 | 140.4 Ų | 140.4 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | | | trans | -74.4 | 128.4 | 172.2 | 172.5 | -177 | 176.3 | 0 | 0 | 110.9 | | |
| 26 | E | 35.9 | Very low | 40 | Very low | 193 Ų | 193 | 138.8 Ų | 138.8 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | | | trans | -170.2 | 133.8 | 144.7 | -134.9 | -179.4 | 150.8 | 0 | 0 | 112.3 | | |
| 27 | G | 38.2 | Very low | 40.6 | Very low | 77 Ų | 77 | 140 Ų | 140 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | | | trans | -85.2 | 161.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 28 | G | 31.8 | Very low | 40.7 | Very low | 81 Ų | 81 | 138.3 Ų | 138.3 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | | | trans | 172.4 | 116.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 29 | K | 41.2 | Very low | 40.5 | Very low | 209 Ų | 209 | 145.3 Ų | 145.3 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | | | trans | -72 | 170.4 | 161.7 | -87.8 | -169.7 | 176.4 | -175.9 | 0 | 110.6 | | |
| 30 | A | 42.2 | Very low | 41.1 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | | | trans | 92.9 | 147.3 | 165 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 31 | D | 35.9 | Very low | 41.3 | Very low | 136 Ų | 136 | 143.8 Ų | 143.8 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | cis | -176 | 161.8 | -9.1 | 177.1 | 49 | 0 | 0 | 0 | 104.7 | | |
| 32 | E | 43.5 | Very low | 41.5 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 62% | 0.617 | 80% | 0.799 | S | S | * | * | | | trans | -6 | 117.9 | 161.1 | -154.8 | 167 | 176.9 | 0 | 0 | 117.9 | K34 | E32-K34 IonicContact OE1-NZ 3.67Å; E32-K34 PolarHBondContact OE1-NZ 3.29Å |
| 33 | D | 37.8 | Very low | 42.1 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | | | trans | -134.1 | 116.9 | 153.6 | -153.9 | -0 | 0 | 0 | 0 | 111.4 | | |
| 34 | K | 47.7 | Very low | 42.4 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 69% | 0.687 | 81% | 0.813 | S | S | * | * | | | trans | -87.1 | 125 | 174.9 | -65 | -169.9 | 178.6 | 81.5 | 0 | 106.8 | E32 | E32-K34 IonicContact OE1-NZ 3.67Å; E32-K34 PolarHBondContact OE1-NZ 3.29Å |
| 35 | S | 49.4 | Very low | 42.4 | Very low | 107 Ų | 107 | 148.3 Ų | 148.3 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | | | trans | -132.5 | 87.2 | 160.6 | -48.3 | 0 | 0 | 0 | 0 | 109.6 | A37 | S35-A37 PolarHBondContact O-N 3.43Š|
| 36 | D | 39.9 | Very low | 42.7 | Very low | 142 Ų | 142 | 149.2 Ų | 149.2 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | | | trans | -52.1 | 116.7 | 155.7 | -171 | -86.5 | 0 | 0 | 0 | 109 | | |
| 37 | A | 48.8 | Very low | 43.2 | Very low | 96 Ų | 96 | 147.9 Ų | 147.9 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | | | trans | -127.6 | 78.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108 | S35 R39 | S35-A37 PolarHBondContact O-N 3.43Å; A37-R39 PolarHBondContact O-N 2.95Å; A37-R39 VanDerWaalsContact O-N 3.13Å |
| 38 | E | 46.3 | Very low | 43.6 | Very low | 177 Ų | 177 | 152.9 Ų | 152.9 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | | | trans | -35 | 104.7 | 156.8 | -164 | 179.3 | 175 | 0 | 0 | 112.9 | | |
| 39 | R | 38.1 | Very low | 44.1 | Very low | 244 Ų | 244 | 158 Ų | 158 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | | | trans | -156.4 | 87.3 | 155.7 | -124.9 | -177.5 | -174.3 | -164.3 | 3 | 111.5 | A37 | A37-R39 PolarHBondContact O-N 2.95Å; A37-R39 VanDerWaalsContact O-N 3.13Å |
| 40 | K | 51.4 | Low | 44.2 | Very low | 197 Ų | 197 | 151.5 Ų | 151.5 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | | | trans | -89.9 | 150.5 | 151.5 | -67.2 | -168.3 | 179 | -179.7 | 0 | 108.1 | | |
| 41 | P | 47.9 | Very low | 43.9 | Very low | 128 Ų | 128 | 150.5 Ų | 150.5 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | | | | -131.9 | 147.7 | 95.5 | 34.2 | -23.5 | 0 | 0 | 0 | 113.5 | | |
| 42 | A | 45.4 | Very low | 44.2 | Very low | 84 Ų | 84 | 147.5 Ų | 147.5 | 69% | 0.694 | 81% | 0.81 | S | S | * | * | | | trans | -65.2 | 146.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 43 | R | 45.5 | Very low | 44.4 | Very low | 233 Ų | 233 | 147.8 Ų | 147.8 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | | | | 159.1 | 125.9 | 121.6 | -87.8 | 178.3 | -171.1 | -101.5 | 2.7 | 110.6 | | |
| 44 | Q | 42.2 | Very low | 44.4 | Very low | 204 Ų | 204 | 144.2 Ų | 144.2 | 95% | 0.953 | 82% | 0.822 | S | S | * | * | | | trans | 140.2 | 128 | 138.9 | -81.4 | -176.1 | -10.6 | 0 | 0 | 111.1 | | |
| 45 | G | 41.1 | Very low | 44.4 | Very low | 79 Ų | 79 | 146 Ų | 146 | 81% | 0.814 | 83% | 0.833 | S | S | * | * | | | trans | 143 | 46.7 | 170 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 46 | K | 46.2 | Very low | 44.2 | Very low | 203 Ų | 203 | 150.5 Ų | 150.5 | 88% | 0.883 | 84% | 0.842 | S | S | * | * | | | trans | -127.1 | 98.6 | 151.7 | -89.4 | -163.2 | 174.7 | -153.3 | 0 | 107.8 | | |
| 47 | L | 46.1 | Very low | 44.1 | Very low | 165 Ų | 165 | 147 Ų | 147 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | | | trans | -108.2 | 101.7 | 160.8 | -111.6 | 151.6 | 0 | 0 | 0 | 105.3 | | |
| 48 | E | 46.9 | Very low | 43.7 | Very low | 182 Ų | 182 | 151.8 Ų | 151.8 | 85% | 0.85 | 85% | 0.845 | S | S | * | * | | | trans | -91.3 | 98.7 | 166.5 | -167.8 | 176.7 | 172.1 | 0 | 0 | 104.9 | | |
| 49 | E | 42.8 | Very low | 43.8 | Very low | 188 Ų | 188 | 153.2 Ų | 153.2 | 88% | 0.879 | 85% | 0.852 | S | S | * | * | | | trans | -99.2 | 94.2 | 172.8 | -168.5 | 175.5 | 167.4 | 0 | 0 | 107.9 | | |
| 50 | G | 44.2 | Very low | 44.3 | Very low | 74 Ų | 74 | 149.3 Ų | 149.3 | 76% | 0.763 | 84% | 0.842 | S | S | * | * | | | trans | -134.3 | 122.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 51 | G | 34.7 | Very low | 44.1 | Very low | 81 Ų | 81 | 147 Ų | 147 | 84% | 0.835 | 84% | 0.844 | S | S | * | * | | | trans | 131.5 | 101.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 52 | G | 42.3 | Very low | 44.1 | Very low | 74 Ų | 74 | 148.6 Ų | 148.6 | 76% | 0.763 | 84% | 0.84 | S | S | * | * | | | trans | -73.3 | 174.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 53 | P | 48.5 | Very low | 43.8 | Very low | 138 Ų | 138 | 147.8 Ų | 147.8 | 90% | 0.896 | 84% | 0.841 | S | S | * | * | | | trans | -86.8 | 112.1 | 172.5 | 31 | -28.5 | 0 | 0 | 0 | 110.8 | | |
| 54 | G | 38 | Very low | 44.1 | Very low | 75 Ų | 75 | 145 Ų | 145 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | | | trans | -73 | 145 | 166 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 55 | E | 47.4 | Very low | 44.6 | Very low | 195 Ų | 195 | 141 Ų | 141 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | | | trans | -56.4 | 127.4 | 168.1 | -66.5 | 178.6 | 114.7 | 0 | 0 | 112.2 | | |
| 56 | Q | 44.5 | Very low | 44.7 | Very low | 202 Ų | 202 | 143.6 Ų | 143.6 | 94% | 0.944 | 82% | 0.817 | S | S | * | * | | | trans | -165.9 | 127.8 | 139.2 | -64 | -160.6 | 16.4 | 0 | 0 | 104.6 | | |
| 57 | G | 37.4 | Very low | 44.7 | Very low | 68 Ų | 68 | 140.5 Ų | 140.5 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | | | cis | 136 | 152.3 | 37.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 58 | Q | 41.9 | Very low | 44.6 | Very low | 196 Ų | 196 | 142.2 Ų | 142.2 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | | | trans | 96.2 | 74.2 | 173 | -47.9 | -168.5 | 21.6 | 0 | 0 | 117.8 | | |
| 59 | Q | 48.4 | Very low | 44.4 | Very low | 207 Ų | 207 | 137 Ų | 137 | 97% | 0.967 | 81% | 0.809 | S | S | * | * | | | trans | -94.5 | 103.6 | 142.7 | -79 | -175.1 | -30.9 | 0 | 0 | 108.4 | | |
| 60 | K | 47.2 | Very low | 44.5 | Very low | 162 Ų | 162 | 137.4 Ų | 137.4 | 70% | 0.704 | 81% | 0.807 | S | S | * | * | | | trans | -142.2 | 94.1 | 166.2 | -164.3 | 167.2 | -168.9 | -71.8 | 0 | 108.8 | E62 | K60-E62 IonicContact NZ-OE2 2.99Å; K60-E62 PolarHBondContact NZ-OE2 2.77Å |
| 61 | V | 48.7 | Very low | 44.6 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | | | trans | -129.1 | 100.1 | 151.9 | 179.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 62 | E | 46 | Very low | 44.9 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 76% | 0.757 | 81% | 0.809 | S | S | * | * | | | trans | -72 | 128.1 | 165.7 | -157.1 | 178.2 | 129.4 | 0 | 0 | 107.2 | K60 | K60-E62 IonicContact NZ-OE2 2.99Å; K60-E62 PolarHBondContact NZ-OE2 2.77Å |
| 63 | G | 40.4 | Very low | 45.1 | Very low | 68 Ų | 68 | 143.9 Ų | 143.9 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | | | trans | -170.2 | 72.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 64 | K | 50.8 | Low | 44.8 | Very low | 173 Ų | 173 | 145.5 Ų | 145.5 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | | | trans | -69.5 | 141.3 | 171.6 | -159.9 | -172.8 | -178.3 | -156.2 | 0 | 110.1 | E66 | K64-E66 IonicContact NZ-OE2 3.58Š|
| 65 | P | 53.7 | Low | 44.9 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | | | | -132.8 | 107.5 | 124.6 | 33 | -22.5 | 0 | 0 | 0 | 109.1 | | |
| 66 | E | 41.9 | Very low | 44.6 | Very low | 134 Ų | 134 | 145.8 Ų | 145.8 | 63% | 0.626 | 80% | 0.804 | S | S | * | * | | | | 50.9 | 98.1 | 86.7 | -156.2 | 158.1 | 135.1 | 0 | 0 | 114.4 | K64 | K64-E66 IonicContact NZ-OE2 3.58Š|
| 67 | N | 47.7 | Very low | 44.7 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | | | trans | 47.7 | 104.7 | 143.4 | -61.9 | -33.2 | 0 | 0 | 0 | 119.2 | | |
| 68 | Q | 43.3 | Very low | 45 | Very low | 201 Ų | 201 | 149.2 Ų | 149.2 | 94% | 0.939 | 81% | 0.806 | S | S | * | * | | | | -133.4 | 93.3 | 128.3 | -77.4 | -162.9 | 48.5 | 0 | 0 | 109.6 | | |
| 69 | G | 42.5 | Very low | 45.6 | Very low | 71 Ų | 71 | 145 Ų | 145 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | | | trans | -77 | 130.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 70 | K | 44.5 | Very low | 45.5 | Very low | 197 Ų | 197 | 144.4 Ų | 144.4 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | | | trans | -159.7 | 83.6 | 155.2 | -99.9 | 177.1 | -175.3 | -175.4 | 0 | 107.1 | | |
| 71 | S | 47.2 | Very low | 45.2 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | | | trans | -108 | 89.7 | 157.1 | 55.2 | 0 | 0 | 0 | 0 | 106.6 | G73 | S71-G73 VanDerWaalsContact C-N 3.33Å; S71-G73 PolarHBondContact O-N 3.38Å |
| 72 | E | 41.3 | Very low | 45.4 | Very low | 168 Ų | 168 | 144 Ų | 144 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -65 | 96.5 | 163.6 | -112.8 | 172.3 | 101.8 | 0 | 0 | 107.6 | | |
| 73 | G | 45.7 | Very low | 45.7 | Very low | 77 Ų | 77 | 141.7 Ų | 141.7 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | -90 | 96.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | S71 | S71-G73 VanDerWaalsContact C-N 3.33Å; S71-G73 PolarHBondContact O-N 3.38Å |
| 74 | E | 41.7 | Very low | 46.2 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -115.2 | 118.6 | 159.8 | -89.8 | -168.2 | 99.2 | 0 | 0 | 108.5 | | |
| 75 | G | 42 | Very low | 46.4 | Very low | 73 Ų | 73 | 140.3 Ų | 140.3 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | -75.9 | 165.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 76 | K | 41.2 | Very low | 46.2 | Very low | 204 Ų | 204 | 143.8 Ų | 143.8 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | | | trans | -146 | 107.4 | 145.4 | -93.3 | 179 | -173.2 | -169.7 | 0 | 108.1 | | |
| 77 | H | 45.4 | Very low | 46.4 | Very low | 187 Ų | 187 | 141.9 Ų | 141.9 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | | | trans | -75.6 | 130.7 | 158.5 | -77.4 | -88.1 | 0 | 0 | 0 | 108 | | |
| 78 | D | 43.3 | Very low | 46.8 | Very low | 154 Ų | 154 | 147.5 Ų | 147.5 | 82% | 0.824 | 83% | 0.827 | S | S | * | * | | | trans | -135.5 | 121.2 | 151 | -97.4 | -53.1 | 0 | 0 | 0 | 108.6 | | |
| 79 | P | 56 | Low | 47 | Very low | 109 Ų | 109 | 142.2 Ų | 142.2 | 71% | 0.708 | 82% | 0.818 | S | S | * | * | | | trans | -88.7 | 159.9 | 173.8 | 35.4 | -29.6 | 0 | 0 | 0 | 110.8 | | |
| 80 | Q | 45.2 | Very low | 47.8 | Very low | 193 Ų | 193 | 143 Ų | 143 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | | | trans | 82.2 | 97.3 | 151.2 | -162 | 179.3 | -30.3 | 0 | 0 | 118.2 | | |
| 81 | A | 40.2 | Very low | 47.8 | Very low | 95 Ų | 95 | 142.7 Ų | 142.7 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | | | trans | -161.6 | 92.6 | 135.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 82 | K | 53.1 | Low | 48.3 | Very low | 208 Ų | 208 | 145.5 Ų | 145.5 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | | | trans | -82.6 | 138.3 | 151.1 | -68.4 | -178.3 | 178.1 | 177.3 | 0 | 107.2 | | |
| 83 | P | 53.8 | Low | 49.3 | Very low | 113 Ų | 113 | 148.2 Ų | 148.2 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | | | trans | -106.1 | 115.8 | 137.4 | 30 | -23.9 | 0 | 0 | 0 | 108.1 | S85 | P83-S85 PolarHBondContact O-N 3.13Š|
| 84 | A | 50.1 | Low | 50 | Low | 105 Ų | 105 | 148.4 Ų | 148.4 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | | | trans | -63.2 | 112.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 85 | S | 53.9 | Low | 50.9 | Low | 107 Ų | 107 | 144.7 Ų | 144.7 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | trans | -134.8 | 92.5 | 162 | 69.4 | 0 | 0 | 0 | 0 | 109.3 | P83 | P83-S85 PolarHBondContact O-N 3.13Š|
| 86 | E | 51.1 | Low | 51.7 | Low | 193 Ų | 193 | 148.4 Ų | 148.4 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | | | trans | -22.2 | 122.3 | 149.3 | -174.1 | 172.8 | 177.5 | 0 | 0 | 115.2 | | |
| 87 | A | 45.4 | Very low | 52.7 | Low | 93 Ų | 93 | 146.2 Ų | 146.2 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -164 | 116.4 | 140.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | A89 | A87-A89 PolarHBondContact O-N 3.3Å; A87-A89 VanDerWaalsContact O-N 3.11Å |
| 88 | R | 56.7 | Low | 53.2 | Low | 258 Ų | 258 | 146.4 Ų | 146.4 | 97% | 0.974 | 80% | 0.795 | S | S | * | * | | | trans | -55.8 | 112.7 | 168.5 | -66.9 | -175.6 | -178.5 | 176.6 | 1.1 | 109.5 | | |
| 89 | A | 47 | Very low | 54.4 | Low | 89 Ų | 89 | 143.2 Ų | 143.2 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | | | trans | -112.2 | 116.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | A87 E91 | A87-A89 PolarHBondContact O-N 3.3Å; A87-A89 VanDerWaalsContact O-N 3.11Å; A89-E91 VanDerWaalsContact C-N 3.34Å; A89-E91 PolarHBondContact O-N 3.44Å |
| 90 | A | 58.3 | Low | 54.9 | Low | 88 Ų | 88 | 142.2 Ų | 142.2 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | -56 | 100.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | K92 | A90-K92 VanDerWaalsContact C-N 3.29Å; A90-K92 PolarHBondContact O-N 3.17Å |
| 91 | E | 45.6 | Very low | 55.8 | Low | 190 Ų | 190 | 143.8 Ų | 143.8 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | | | trans | -62.8 | 99.3 | 171 | -168.1 | 175 | 177.2 | 0 | 0 | 106.5 | A89 R93 | A89-E91 VanDerWaalsContact C-N 3.34Å; A89-E91 PolarHBondContact O-N 3.44Å; E91-R93 PolarHBondContact O-N 2.97Å |
| 92 | K | 58 | Low | 56.7 | Low | 180 Ų | 180 | 148.9 Ų | 148.9 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | | | trans | -56.5 | 108.7 | 172.3 | -65 | -73.1 | -176.8 | 174.1 | 0 | 105.7 | A90 | A90-K92 VanDerWaalsContact C-N 3.29Å; A90-K92 PolarHBondContact O-N 3.17Å |
| 93 | R | 62.2 | Low | 57.2 | Low | 224 Ų | 224 | 143.3 Ų | 143.3 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | | | trans | -50.7 | 125.1 | 156.2 | -71.5 | -132.4 | 167.9 | 102.8 | 1.8 | 106.2 | E91 A95 | E91-R93 PolarHBondContact O-N 2.97Å; R93-A95 PolarHBondContact O-N 3.23Å |
| 94 | P | 60.1 | Low | 57.6 | Low | 82 Ų | 82 | 146.3 Ų | 146.3 | 53% | 0.532 | 77% | 0.771 | S | S | . | * | | | trans | -60.4 | 140 | 179.8 | 27.9 | -34.5 | 0 | 0 | 0 | 108 | E96 | P94-E96 VanDerWaalsContact CB-OE2 3.23Å; P94-E96 WeakPolarHBondContact CB-OE2 3.38Å; P94-E96 WeakPolarHBondContact CG-OE2 3.46Å; P94-E96 PolarHBondContact O-N 2.85Å |
| 95 | A | 61.5 | Low | 58.2 | Low | 94 Ų | 94 | 151.4 Ų | 151.4 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -70.2 | 20.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R93 | R93-A95 PolarHBondContact O-N 3.23Š|
| 96 | E | 57.8 | Low | 58.8 | Low | 151 Ų | 151 | 156 Ų | 156 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -80.8 | -15.1 | -178.5 | -71 | 119.4 | -142.5 | 0 | 0 | 113.1 | P94 | P94-E96 VanDerWaalsContact CB-OE2 3.23Å; P94-E96 WeakPolarHBondContact CB-OE2 3.38Å; P94-E96 WeakPolarHBondContact CG-OE2 3.46Å; P94-E96 PolarHBondContact O-N 2.85Å |
| 97 | D | 61.8 | Low | 59.4 | Low | 158 Ų | 158 | 151.3 Ų | 151.3 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -93 | 7 | 178 | -84.8 | -18.7 | 0 | 0 | 0 | 114.7 | V99 | D97-V99 PolarHBondContact O-N 3.19Š|
| 98 | Y | 55.5 | Low | 60 | Low | 190 Ų | 190 | 153.5 Ų | 153.5 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | | | trans | -94.9 | 80.9 | 168.1 | -167.9 | -101.8 | 0 | 0 | 0 | 111 | P100 | Y98-P100 HydrophobicContact CE1-CG 4.24Å; Y98-P100 WeakPolarHBondContact O-CD 2.83Å |
| 99 | V | 68.4 | Low | 60 | Low | 87 Ų | 87 | 153.4 Ų | 153.4 | 53% | 0.527 | 76% | 0.757 | S | S | . | * | | | trans | -85.2 | 119.6 | 164.9 | 180 | 0 | 0 | 0 | 0 | 108.1 | D97 R101 | D97-V99 PolarHBondContact O-N 3.19Å; V99-R101 PolarHBondContact O-N 3.09Å |
| 100 | P | 67.3 | Low | 60.7 | Low | 88 Ų | 88 | 151.2 Ų | 151.2 | 57% | 0.571 | 74% | 0.744 | S | S | * | * | | | trans | -57.2 | 104 | 172.1 | -24.7 | 34.6 | 0 | 0 | 0 | 110.4 | Y98 K102 | Y98-P100 HydrophobicContact CE1-CG 4.24Å; Y98-P100 WeakPolarHBondContact O-CD 2.83Å; P100-K102 PolarHBondContact O-N 2.83Å |
| 101 | R | 65.2 | Low | 60.9 | Low | 227 Ų | 227 | 153.2 Ų | 153.2 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 48.8 | -177.9 | -168.3 | -173.6 | 173.6 | 137.3 | -2.8 | 111.7 | V99 | V99-R101 PolarHBondContact O-N 3.09Š|
| 102 | K | 58.4 | Low | 61.6 | Low | 202 Ų | 202 | 150.6 Ų | 150.6 | 88% | 0.878 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.4 | -7.3 | 178 | -59.3 | -66.8 | 163.3 | 179.3 | 0 | 114.8 | P100 | P100-K102 PolarHBondContact O-N 2.83Š|
| 103 | A | 64.1 | Low | 61.9 | Low | 91 Ų | 91 | 148 Ų | 148 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | | | trans | -147.7 | 70.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R105 | A103-R105 PolarHBondContact O-N 3.18Å; A103-R105 VanDerWaalsContact O-N 3.09Å |
| 104 | K | 60.5 | Low | 62 | Low | 175 Ų | 175 | 139.6 Ų | 139.6 | 76% | 0.761 | 71% | 0.71 | S | S | * | * | | | trans | -75 | 99.2 | 165.6 | -75.2 | -116.8 | 177.6 | 178.3 | 0 | 108.6 | | |
| 105 | R | 64.2 | Low | 62.2 | Low | 212 Ų | 212 | 140.8 Ų | 140.8 | 80% | 0.8 | 72% | 0.717 | S | S | * | * | | | trans | -45.1 | 128.2 | 167.9 | -155.5 | 167.8 | 75.6 | 176.5 | 6.7 | 110.5 | A103 T107 | A103-R105 PolarHBondContact O-N 3.18Å; A103-R105 VanDerWaalsContact O-N 3.09Å; R105-T107 VanDerWaalsContact C-N 3.28Å; R105-T107 PolarHBondContact O-N 3.49Å |
| 106 | K | 65.1 | Low | 62.1 | Low | 204 Ų | 204 | 144.2 Ų | 144.2 | 89% | 0.887 | 72% | 0.715 | S | S | * | * | | | trans | -84.7 | 70.5 | 173.5 | -58.4 | -72.2 | -176.1 | 171.6 | 0 | 108.9 | | |
| 107 | T | 65.1 | Low | 62.2 | Low | 94 Ų | 94 | 141 Ų | 141 | 58% | 0.577 | 70% | 0.702 | S | S | * | * | | | trans | -171.1 | 125.1 | 173.5 | -14.5 | 0 | 0 | 0 | 0 | 104 | R105 | R105-T107 VanDerWaalsContact C-N 3.28Å; R105-T107 PolarHBondContact O-N 3.49Å |
| 108 | D | 58.3 | Low | 62.1 | Low | 140 Ų | 140 | 137.2 Ų | 137.2 | 75% | 0.749 | 69% | 0.688 | S | S | * | * | | | cis | -156.8 | 103.7 | 27.6 | -163.6 | -7.4 | 0 | 0 | 0 | 103.3 | G110 | D108-G110 PolarHBondContact O-N 3.4Å; D108-G110 WeakPolarHBondContact OD1-CA 3.22Å; D108-G110 PolarHBondContact OD1-N 3.47Å |
| 109 | R | 55.5 | Low | 62.3 | Low | 255 Ų | 255 | 135.1 Ų | 135.1 | 96% | 0.962 | 69% | 0.685 | S | S | * | * | | | trans | -88.8 | 61.2 | 162.6 | -146.8 | 178.5 | -159 | 112.5 | -0.8 | 104.2 | T111 | R109-T111 PolarHBondContact O-N 3.1Š|
| 110 | G | 61.9 | Low | 61.9 | Low | 44 Ų | 44 | 136.9 Ų | 136.9 | 45% | 0.454 | 69% | 0.688 | S | S | . | * | | | trans | -48.8 | 129.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | D108 D112 | D108-G110 PolarHBondContact O-N 3.4Å; D108-G110 WeakPolarHBondContact OD1-CA 3.22Å; D108-G110 PolarHBondContact OD1-N 3.47Å; G110-D112 VanDerWaalsContact C-N 3.27Å; G110-D112 PolarHBondContact O-N 2.88Å |
| 111 | T | 63 | Low | 61.7 | Low | 130 Ų | 130 | 137.5 Ų | 137.5 | 80% | 0.798 | 69% | 0.686 | S | S | * | * | | | trans | -42 | 101.8 | 169.3 | -48.2 | 0 | 0 | 0 | 0 | 106.6 | R109 D113 | R109-T111 PolarHBondContact O-N 3.1Å; T111-D113 HydrophobicContact CG2-CB 4.1Å; T111-D113 PolarHBondContact O-N 2.88Å |
| 112 | D | 60.2 | Low | 61.5 | Low | 135 Ų | 135 | 132.1 Ų | 132.1 | 72% | 0.722 | 67% | 0.674 | S | S | * | * | | | trans | -68.5 | 75.3 | 162.7 | -177.2 | 3.3 | 0 | 0 | 0 | 103.6 | G110 S114 | G110-D112 VanDerWaalsContact C-N 3.27Å; G110-D112 PolarHBondContact O-N 2.88Å; D112-S114 PolarHBondContact O-N 2.89Å; D112-S114 PolarHBondContact OD1-OG 3.36Å |
| 113 | D | 64.3 | Low | 61.7 | Low | 125 Ų | 125 | 128.8 Ų | 128.8 | 67% | 0.668 | 66% | 0.662 | S | S | * | * | | | trans | -72.4 | 67.6 | 166.6 | -167.8 | 39.6 | 0 | 0 | 0 | 105.6 | T111 | T111-D113 HydrophobicContact CG2-CB 4.1Å; T111-D113 PolarHBondContact O-N 2.88Å |
| 114 | S | 64.5 | Low | 61.6 | Low | 48 Ų | 48 | 130.3 Ų | 130.3 | 34% | 0.336 | 66% | 0.657 | S | S | . | * | | | trans | -53.3 | 131.6 | 169.7 | -76 | 0 | 0 | 0 | 0 | 107.2 | D112 K116 | D112-S114 PolarHBondContact O-N 2.89Å; D112-S114 PolarHBondContact OD1-OG 3.36Å; S114-K116 PolarHBondContact O-N 2.83Å |
| 115 | P | 64 | Low | 61.8 | Low | 107 Ų | 107 | 132.1 Ų | 132.1 | 70% | 0.695 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -71.7 | 78.9 | -179.1 | 30.2 | -34.9 | 0 | 0 | 0 | 110 | | |
| 116 | K | 58.5 | Low | 61.9 | Low | 165 Ų | 165 | 129.4 Ų | 129.4 | 72% | 0.717 | 66% | 0.655 | S | S | * | * | | | trans | -98.7 | -10.1 | 166.2 | -69.9 | -178.7 | 178.5 | 173.8 | 0 | 111.8 | S114 S118 | S114-K116 PolarHBondContact O-N 2.83Å; K116-S118 PolarHBondContact O-N 2.82Å; K116-S118 VanDerWaalsContact O-N 3.1Å |
| 117 | N | 60.1 | Low | 62.3 | Low | 84 Ų | 84 | 122.5 Ų | 122.5 | 45% | 0.449 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.6 | -8.7 | -178.5 | 65.7 | 3.9 | 0 | 0 | 0 | 115.1 | Q119 E120 D121 | N117-Q119 PolarHBondContact O-N 2.67Å; N117-E120 WeakPolarHBondContact CA-OE2 3.42Å; N117-E120 PolarHBondContact O-N 3.36Å; N117-D121 VanDerWaalsContact O-CB 3.29Å; N117-D121 WeakPolarHBondContact O-CB 3.48Å; N117-D121 PolarHBondContact O-N 2.8Å |
| 118 | S | 60.2 | Low | 63 | Low | 78 Ų | 78 | 120.7 Ų | 120.7 | 55% | 0.545 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.1 | -24.4 | -177.9 | -42.1 | 0 | 0 | 0 | 0 | 113.1 | K116 | K116-S118 PolarHBondContact O-N 2.82Å; K116-S118 VanDerWaalsContact O-N 3.1Å |
| 119 | Q | 60.6 | Low | 64 | Low | 147 Ų | 147 | 118.2 Ų | 118.2 | 69% | 0.687 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -25.6 | 177.4 | -173.7 | 169 | 1.4 | 0 | 0 | 112.8 | N117 Q123 | N117-Q119 PolarHBondContact O-N 2.67Å; Q119-Q123 PolarHBondContact O-NE2 3.3Å; Q119-Q123 VanDerWaalsContact O-NE2 3.17Å |
| 120 | E | 59.9 | Low | 65.4 | Low | 124 Ų | 124 | 111.7 Ų | 111.7 | 58% | 0.579 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -79.3 | -35.2 | 174.8 | -72.6 | 138.3 | 158.4 | 0 | 0 | 111.4 | N117 L122 Q123 D124 | N117-E120 WeakPolarHBondContact CA-OE2 3.42Å; N117-E120 PolarHBondContact O-N 3.36Å; E120-L122 VanDerWaalsContact C-N 3.29Å; E120-L122 PolarHBondContact O-N 2.8Å; E120-Q123 PolarHBondContact O-N 3.25Å; E120-Q123 VanDerWaalsContact O-N 3.12Å; E120-D124 PolarHBondContact O-N 3.42Å |
| 121 | D | 62.7 | Low | 66.5 | Low | 100 Ų | 100 | 115.1 Ų | 115.1 | 54% | 0.535 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.2 | -33.1 | 176.7 | -176.6 | 75.7 | 0 | 0 | 0 | 113.4 | N117 R125 | N117-D121 VanDerWaalsContact O-CB 3.29Å; N117-D121 WeakPolarHBondContact O-CB 3.48Å; N117-D121 PolarHBondContact O-N 2.8Å; D121-R125 PolarHBondContact O-N 2.85Å |
| 122 | L | 60.5 | Low | 67.7 | Low | 115 Ų | 115 | 114.3 Ų | 114.3 | 60% | 0.602 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -73.7 | -28.8 | 176.8 | -69.8 | 172.9 | 0 | 0 | 0 | 113.1 | E120 | E120-L122 VanDerWaalsContact C-N 3.29Å; E120-L122 PolarHBondContact O-N 2.8Å |
| 123 | Q | 62.4 | Low | 69 | Low | 132 Ų | 132 | 113.8 Ų | 113.8 | 62% | 0.617 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -78.6 | -36.4 | 176 | -71.2 | 174.2 | 73.6 | 0 | 0 | 110.9 | Q119 E120 R125 H126 | Q119-Q123 PolarHBondContact O-NE2 3.3Å; Q119-Q123 VanDerWaalsContact O-NE2 3.17Å; E120-Q123 PolarHBondContact O-N 3.25Å; E120-Q123 VanDerWaalsContact O-N 3.12Å; Q123-R125 PolarHBondContact O-N 3.44Å; Q123-H126 CarbonylContact O-C 3.59Å; Q123-H126 PolarHBondContact O-N 2.9Å |
| 124 | D | 62 | Low | 70.1 | Confident | 123 Ų | 123 | 115.2 Ų | 115.2 | 66% | 0.658 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.9 | -30.7 | 173 | -163.5 | 63.6 | 0 | 0 | 0 | 112 | E120 H126 V127 | E120-D124 PolarHBondContact O-N 3.42Å; D124-H126 PolarHBondContact O-N 3.42Å; D124-V127 WeakPolarHBondContact O-CG2 3.22Å |
| 125 | R | 64.6 | Low | 71.3 | Confident | 212 Ų | 212 | 117.9 Ų | 117.9 | 80% | 0.8 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -12.9 | 172.5 | -113.4 | -178.2 | -179.5 | -170.9 | 2.1 | 115.1 | D121 Q123 | D121-R125 PolarHBondContact O-N 2.85Å; Q123-R125 PolarHBondContact O-N 3.44Å |
| 126 | H | 67.3 | Low | 72.3 | Confident | 155 Ų | 155 | 116 Ų | 116 | 72% | 0.718 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.9 | 44.1 | -175 | -157.5 | -73.1 | 0 | 0 | 0 | 111.4 | Q123 D124 S128 | Q123-H126 CarbonylContact O-C 3.59Å; Q123-H126 PolarHBondContact O-N 2.9Å; D124-H126 PolarHBondContact O-N 3.42Å; H126-S128 PolarHBondContact O-N 3.32Å |
| 127 | V | 73.5 | Confident | 73.8 | Confident | 59 Ų | 59 | 110.5 Ų | 110.5 | 36% | 0.358 | 56% | 0.559 | S | S | . | * | | | trans | -55 | 123.4 | 162.5 | -175.8 | 0 | 0 | 0 | 0 | 107.6 | D124 S129 E131 M132 | D124-V127 WeakPolarHBondContact O-CG2 3.22Å; V127-S129 PolarHBondContact O-N 2.85Å; V127-E131 HydrophobicContact CG1-CB 3.41Å; V127-E131 VanDerWaalsContact CG1-CB 3.41Å; V127-M132 HydrophobicContact CG1-CB 4.39Å |
| 128 | S | 79.8 | Confident | 75.3 | Confident | 57 Ų | 57 | 110.5 Ų | 110.5 | 40% | 0.399 | 56% | 0.56 | S | S | . | * | | | trans | -57.2 | 142.5 | 175.2 | 174.4 | 0 | 0 | 0 | 0 | 109 | H126 E130 E131 M132 | H126-S128 PolarHBondContact O-N 3.32Å; S128-E130 PolarHBondContact O-N 2.93Å; S128-E130 PolarHBondContact OG-N 2.86Å; S128-E131 PolarHBondContact N-OE2 3.3Å; S128-E131 WeakPolarHBondContact O-CA 3.49Å; S128-E131 WeakPolarHBondContact O-CB 3.28Å; S128-E131 PolarHBondContact O-N 3.19Å; S128-M132 PolarHBondContact O-N 3.29Å |
| 129 | S | 79.2 | Confident | 76.8 | Confident | 87 Ų | 87 | 112.3 Ų | 112.3 | 61% | 0.608 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -50.3 | -32.5 | 174.3 | 179.9 | 0 | 0 | 0 | 0 | 112 | V127 M132 M133 | V127-S129 PolarHBondContact O-N 2.85Å; S129-M132 PolarHBondContact O-N 3.45Å; S129-M133 WeakPolarHBondContact O-CG 3.45Å; S129-M133 PolarHBondContact O-N 2.83Å |
| 130 | E | 83.9 | Confident | 78.3 | Confident | 119 Ų | 119 | 109.4 Ų | 109.4 | 56% | 0.556 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.8 | -41.8 | 173.8 | -176.1 | 168 | 143.6 | 0 | 0 | 113.6 | S128 M133 R134 | S128-E130 PolarHBondContact O-N 2.93Å; S128-E130 PolarHBondContact OG-N 2.86Å; E130-M133 PolarHBondContact O-N 3.03Å; E130-R134 PolarHBondContact O-N 3.09Å |
| 131 | E | 86.2 | Confident | 79.8 | Confident | 115 Ų | 115 | 110.8 Ų | 110.8 | 54% | 0.537 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.9 | -37.3 | 175.8 | -71.4 | 177.1 | 119.2 | 0 | 0 | 111.1 | V127 S128 M133 R134 E135 | V127-E131 HydrophobicContact CG1-CB 3.41Å; V127-E131 VanDerWaalsContact CG1-CB 3.41Å; S128-E131 PolarHBondContact N-OE2 3.3Å; S128-E131 WeakPolarHBondContact O-CA 3.49Å; S128-E131 WeakPolarHBondContact O-CB 3.28Å; S128-E131 PolarHBondContact O-N 3.19Å; E131-M133 PolarHBondContact O-N 2.83Å; E131-R134 WeakPolarHBondContact O-CB 3.13Å; E131-R134 PolarHBondContact O-N 3.18Å; E131-E135 WeakPolarHBondContact O-CB 3.42Å; E131-E135 PolarHBondContact O-N 3.41Å |
| 132 | M | 86.6 | Confident | 81.2 | Confident | 113 Ų | 113 | 108.8 Ų | 108.8 | 56% | 0.557 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.9 | -40 | 173.8 | 179.4 | 175.7 | -91.4 | 0 | 0 | 111.9 | V127 S128 S129 R134 E135 C136 | V127-M132 HydrophobicContact CG1-CB 4.39Å; S128-M132 PolarHBondContact O-N 3.29Å; S129-M132 PolarHBondContact O-N 3.45Å; M132-R134 VanDerWaalsContact C-N 3.32Å; M132-R134 PolarHBondContact O-N 3.13Å; M132-E135 PolarHBondContact O-N 2.66Å; M132-C136 WeakPolarHBondContact O-CB 3.14Å; M132-C136 PolarHBondContact O-N 3.19Å; M132-C136 PolarHBondContact O-SG 2.95Å |
| 133 | M | 87.9 | Confident | 82.6 | Confident | 124 Ų | 124 | 108.5 Ų | 108.5 | 61% | 0.611 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.8 | -36.3 | 175.2 | -74 | -171.9 | -67.6 | 0 | 0 | 112.2 | S129 E130 E131 A137 | S129-M133 WeakPolarHBondContact O-CG 3.45Å; S129-M133 PolarHBondContact O-N 2.83Å; E130-M133 PolarHBondContact O-N 3.03Å; E131-M133 PolarHBondContact O-N 2.83Å; M133-A137 PolarHBondContact O-N 3.19Å |
| 134 | R | 88.7 | Confident | 83.8 | Confident | 155 Ų | 155 | 105 Ų | 105 | 59% | 0.585 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.2 | -47.7 | 175.2 | -172.9 | 177.2 | -60.9 | -79.2 | -2.7 | 111.5 | E130 E131 M132 C136 A137 D138 | E130-R134 PolarHBondContact O-N 3.09Å; E131-R134 WeakPolarHBondContact O-CB 3.13Å; E131-R134 PolarHBondContact O-N 3.18Å; M132-R134 VanDerWaalsContact C-N 3.32Å; M132-R134 PolarHBondContact O-N 3.13Å; R134-C136 VanDerWaalsContact C-N 3.33Å; R134-C136 PolarHBondContact O-N 3.33Å; R134-A137 WeakPolarHBondContact O-CB 3.39Å; R134-A137 PolarHBondContact O-N 2.78Å; R134-A137 VanDerWaalsContact O-N 3.11Å; R134-D138 PolarHBondContact O-N 2.94Å |
| 135 | E | 88.7 | Confident | 85 | Confident | 105 Ų | 105 | 104.8 Ų | 104.8 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60 | -41.9 | 175.9 | -172.1 | -175.9 | 179.3 | 0 | 0 | 111.5 | E131 M132 A137 D138 M139 | E131-E135 WeakPolarHBondContact O-CB 3.42Å; E131-E135 PolarHBondContact O-N 3.41Å; M132-E135 PolarHBondContact O-N 2.66Å; E135-A137 VanDerWaalsContact C-N 3.29Å; E135-A137 PolarHBondContact O-N 3.42Å; E135-D138 PolarHBondContact O-N 2.99Å; E135-D138 VanDerWaalsContact O-N 3.13Å; E135-M139 HydrophobicContact CG-CG 4.25Å; E135-M139 HydrophobicContact CG-SD 4.16Å; E135-M139 WeakPolarHBondContact O-CB 3.34Å; E135-M139 WeakPolarHBondContact O-CG 3.49Å; E135-M139 PolarHBondContact O-N 3.11Å |
| 136 | C | 84.9 | Confident | 86 | Confident | 67 Ų | 67 | 99 Ų | 99 | 45% | 0.453 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.5 | -40.2 | 174.6 | -72.7 | 0 | 0 | 0 | 0 | 112.3 | M132 R134 T140 | M132-C136 WeakPolarHBondContact O-CB 3.14Å; M132-C136 PolarHBondContact O-N 3.19Å; M132-C136 PolarHBondContact O-SG 2.95Å; R134-C136 VanDerWaalsContact C-N 3.33Å; R134-C136 PolarHBondContact O-N 3.33Å; C136-T140 VanDerWaalsContact O-CB 3.25Å; C136-T140 WeakPolarHBondContact O-CB 3.45Å; C136-T140 PolarHBondContact O-N 3.19Å; C136-T140 PolarHBondContact O-OG1 3.39Å |
| 137 | A | 89.8 | Confident | 86.7 | Confident | 49 Ų | 49 | 97 Ų | 97 | 41% | 0.405 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.6 | -39.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M133 R134 E135 T140 R141 | M133-A137 PolarHBondContact O-N 3.19Å; R134-A137 WeakPolarHBondContact O-CB 3.39Å; R134-A137 PolarHBondContact O-N 2.78Å; R134-A137 VanDerWaalsContact O-N 3.11Å; E135-A137 VanDerWaalsContact C-N 3.29Å; E135-A137 PolarHBondContact O-N 3.42Å; A137-T140 PolarHBondContact O-N 2.75Å; A137-R141 WeakPolarHBondContact O-CB 3.45Å; A137-R141 PolarHBondContact O-N 3.27Å |
| 138 | D | 92.5 | Very high | 87.2 | Confident | 85 Ų | 85 | 99.2 Ų | 99.2 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.6 | -41.4 | 178.9 | -70.7 | -23.9 | 0 | 0 | 0 | 112.1 | R134 E135 R141 A142 | R134-D138 PolarHBondContact O-N 2.94Å; E135-D138 PolarHBondContact O-N 2.99Å; E135-D138 VanDerWaalsContact O-N 3.13Å; D138-R141 WeakPolarHBondContact O-CB 3.45Å; D138-R141 PolarHBondContact O-N 3.19Å; D138-A142 WeakPolarHBondContact O-CB 3.22Å; D138-A142 PolarHBondContact O-N 3.48Å |
| 139 | M | 92.1 | Very high | 87.3 | Confident | 116 Ų | 116 | 103.3 Ų | 103.3 | 57% | 0.571 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.4 | -42.1 | 171.2 | -72.1 | -178.2 | 70.9 | 0 | 0 | 111.6 | E135 R141 A142 Q143 | E135-M139 HydrophobicContact CG-CG 4.25Å; E135-M139 HydrophobicContact CG-SD 4.16Å; E135-M139 WeakPolarHBondContact O-CB 3.34Å; E135-M139 WeakPolarHBondContact O-CG 3.49Å; E135-M139 PolarHBondContact O-N 3.11Å; M139-R141 VanDerWaalsContact C-N 3.31Å; M139-R141 PolarHBondContact O-N 2.92Å; M139-A142 PolarHBondContact O-N 2.86Å; M139-Q143 VanDerWaalsContact O-CB 3.22Å; M139-Q143 WeakPolarHBondContact O-CB 3.32Å; M139-Q143 PolarHBondContact O-N 3.05Å |
| 140 | T | 90.2 | Very high | 87.3 | Confident | 85 Ų | 85 | 106 Ų | 106 | 52% | 0.521 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 177.1 | -60 | 0 | 0 | 0 | 0 | 111 | C136 A137 E144 | C136-T140 VanDerWaalsContact O-CB 3.25Å; C136-T140 WeakPolarHBondContact O-CB 3.45Å; C136-T140 PolarHBondContact O-N 3.19Å; C136-T140 PolarHBondContact O-OG1 3.39Å; A137-T140 PolarHBondContact O-N 2.75Å; T140-E144 WeakPolarHBondContact O-CB 3.25Å; T140-E144 PolarHBondContact O-N 3.01Å |
| 141 | R | 91.5 | Very high | 86.9 | Confident | 154 Ų | 154 | 109.4 Ų | 109.4 | 58% | 0.581 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.2 | -48.3 | 173.4 | -170.7 | -168 | -47.7 | -85.3 | -4.9 | 111.6 | A137 D138 M139 Q143 E144 E145 | A137-R141 WeakPolarHBondContact O-CB 3.45Å; A137-R141 PolarHBondContact O-N 3.27Å; D138-R141 WeakPolarHBondContact O-CB 3.45Å; D138-R141 PolarHBondContact O-N 3.19Å; M139-R141 VanDerWaalsContact C-N 3.31Å; M139-R141 PolarHBondContact O-N 2.92Å; R141-Q143 VanDerWaalsContact C-N 3.32Å; R141-Q143 PolarHBondContact O-N 3.48Å; R141-E144 WeakPolarHBondContact O-CB 3.39Å; R141-E144 PolarHBondContact O-N 3.38Å; R141-E145 WeakPolarHBondContact O-CG 3.47Å; R141-E145 PolarHBondContact O-N 2.98Å |
| 142 | A | 92.1 | Very high | 86 | Confident | 57 Ų | 57 | 108.9 Ų | 108.9 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D138 M139 E145 L146 | D138-A142 WeakPolarHBondContact O-CB 3.22Å; D138-A142 PolarHBondContact O-N 3.48Å; M139-A142 PolarHBondContact O-N 2.86Å; A142-E145 PolarHBondContact O-N 3.5Å; A142-L146 PolarHBondContact O-N 3.22Å |
| 143 | Q | 90.1 | Very high | 84.8 | Confident | 109 Ų | 109 | 106.3 Ų | 106.3 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 174.6 | -167.9 | -80.2 | -20.9 | 0 | 0 | 111.1 | M139 R141 L146 R147 | M139-Q143 VanDerWaalsContact O-CB 3.22Å; M139-Q143 WeakPolarHBondContact O-CB 3.32Å; M139-Q143 PolarHBondContact O-N 3.05Å; R141-Q143 VanDerWaalsContact C-N 3.32Å; R141-Q143 PolarHBondContact O-N 3.48Å; Q143-L146 PolarHBondContact O-N 2.66Å; Q143-R147 WeakPolarHBondContact O-CB 3.4Å; Q143-R147 PolarHBondContact O-N 2.83Å |
| 144 | E | 88.5 | Confident | 83.8 | Confident | 59 Ų | 59 | 101.8 Ų | 101.8 | 28% | 0.276 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 172.6 | 173.9 | 164.2 | 151.8 | 0 | 0 | 112.3 | T140 R141 L146 R147 K148 | T140-E144 WeakPolarHBondContact O-CB 3.25Å; T140-E144 PolarHBondContact O-N 3.01Å; R141-E144 WeakPolarHBondContact O-CB 3.39Å; R141-E144 PolarHBondContact O-N 3.38Å; E144-L146 VanDerWaalsContact C-N 3.34Å; E144-R147 VanDerWaalsContact CG-CZ 3.46Å; E144-R147 WeakPolarHBondContact O-CG 3.44Å; E144-R147 PolarHBondContact O-N 2.76Å; E144-R147 IonicContact OE1-NH2 3.23Å; E144-R147 IonicContact OE2-CZ 2.83Å; E144-R147 VanDerWaalsContact OE2-CZ 3.23Å; E144-R147 IonicContact OE2-NH1 2.66Å; E144-R147 PolarHBondContact OE2-NH1 3.12Å; E144-R147 IonicContact OE2-NH2 3.03Å; E144-R147 PolarHBondContact OE2-NH2 3.44Å; E144-K148 HydrophobicContact CG-CD 3.97Å; E144-K148 HydrophobicContact CG-CG 4.37Å; E144-K148 VanDerWaalsContact O-CB 3.28Å; E144-K148 WeakPolarHBondContact O-CB 3.44Å; E144-K148 VanDerWaalsContact O-CG 3.22Å; E144-K148 WeakPolarHBondContact O-CG 3.48Å; E144-K148 PolarHBondContact O-N 2.77Å; E144-K148 WeakPolarHBondContact OE1-CE 3.45Å; E144-K148 IonicContact OE1-NZ 2.67Å; E144-K148 PolarHBondContact OE1-NZ 2.71Å |
| 145 | E | 87 | Confident | 82 | Confident | 118 Ų | 118 | 102.3 Ų | 102.3 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.1 | -39.1 | 174.5 | -72.1 | -166.4 | 146.3 | 0 | 0 | 111.6 | R141 A142 K148 R149 | R141-E145 WeakPolarHBondContact O-CG 3.47Å; R141-E145 PolarHBondContact O-N 2.98Å; A142-E145 PolarHBondContact O-N 3.5Å; E145-K148 WeakPolarHBondContact O-CB 3.49Å; E145-K148 PolarHBondContact O-N 2.83Å; E145-R149 WeakPolarHBondContact O-CB 3.44Å; E145-R149 VanDerWaalsContact O-CG 3.22Å; E145-R149 WeakPolarHBondContact O-CG 3.41Å; E145-R149 PolarHBondContact O-N 3.17Å |
| 146 | L | 85.3 | Confident | 80.3 | Confident | 90 Ų | 90 | 103.1 Ų | 103.1 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 174.2 | -173.5 | 65.2 | 0 | 0 | 0 | 111.5 | A142 Q143 E144 K148 R149 Q150 | A142-L146 PolarHBondContact O-N 3.22Å; Q143-L146 PolarHBondContact O-N 2.66Å; E144-L146 VanDerWaalsContact C-N 3.34Å; L146-K148 VanDerWaalsContact C-N 3.29Å; L146-K148 PolarHBondContact O-N 3.38Å; L146-R149 PolarHBondContact O-N 3Å; L146-Q150 WeakPolarHBondContact O-CG 3.39Å; L146-Q150 PolarHBondContact O-N 3.12Å |
| 147 | R | 83 | Confident | 78.8 | Confident | 114 Ų | 114 | 108 Ų | 108 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -36.2 | 177.5 | 97.4 | -169.7 | -174.3 | -138.2 | -5.6 | 111.1 | Q143 E144 K151 | Q143-R147 WeakPolarHBondContact O-CB 3.4Å; Q143-R147 PolarHBondContact O-N 2.83Å; E144-R147 VanDerWaalsContact CG-CZ 3.46Å; E144-R147 WeakPolarHBondContact O-CG 3.44Å; E144-R147 PolarHBondContact O-N 2.76Å; E144-R147 IonicContact OE1-NH2 3.23Å; E144-R147 IonicContact OE2-CZ 2.83Å; E144-R147 VanDerWaalsContact OE2-CZ 3.23Å; E144-R147 IonicContact OE2-NH1 2.66Å; E144-R147 PolarHBondContact OE2-NH1 3.12Å; E144-R147 IonicContact OE2-NH2 3.03Å; E144-R147 PolarHBondContact OE2-NH2 3.44Å; R147-K151 WeakPolarHBondContact O-CB 3.42Å; R147-K151 PolarHBondContact O-N 3.03Å |
| 148 | K | 83.4 | Confident | 77.3 | Confident | 106 Ų | 106 | 109.8 Ų | 109.8 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -57.7 | 171.7 | -80.1 | 168.4 | 170 | 166.1 | 0 | 108.7 | E144 E145 L146 Q150 K151 M152 | E144-K148 HydrophobicContact CG-CD 3.97Å; E144-K148 HydrophobicContact CG-CG 4.37Å; E144-K148 VanDerWaalsContact O-CB 3.28Å; E144-K148 WeakPolarHBondContact O-CB 3.44Å; E144-K148 VanDerWaalsContact O-CG 3.22Å; E144-K148 WeakPolarHBondContact O-CG 3.48Å; E144-K148 PolarHBondContact O-N 2.77Å; E144-K148 WeakPolarHBondContact OE1-CE 3.45Å; E144-K148 IonicContact OE1-NZ 2.67Å; E144-K148 PolarHBondContact OE1-NZ 2.71Å; E145-K148 WeakPolarHBondContact O-CB 3.49Å; E145-K148 PolarHBondContact O-N 2.83Å; L146-K148 VanDerWaalsContact C-N 3.29Å; L146-K148 PolarHBondContact O-N 3.38Å; K148-Q150 PolarHBondContact O-N 3.32Å; K148-Q150 VanDerWaalsContact O-N 3.1Å; K148-K151 CarbonylContact O-C 3.48Å; K148-K151 WeakPolarHBondContact O-CA 3.44Å; K148-K151 PolarHBondContact O-N 3.33Å; K148-M152 WeakPolarHBondContact O-CG 3.45Å; K148-M152 PolarHBondContact O-N 2.98Å |
| 149 | R | 81.4 | Confident | 75.9 | Confident | 142 Ų | 142 | 109.8 Ų | 109.8 | 54% | 0.536 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -54.3 | -33.4 | 179.1 | -70.5 | 176 | 78.2 | -146.8 | 2.2 | 113.6 | E145 L146 | E145-R149 WeakPolarHBondContact O-CB 3.44Å; E145-R149 VanDerWaalsContact O-CG 3.22Å; E145-R149 WeakPolarHBondContact O-CG 3.41Å; E145-R149 PolarHBondContact O-N 3.17Å; L146-R149 PolarHBondContact O-N 3Å |
| 150 | Q | 78.9 | Confident | 74.2 | Confident | 143 Ų | 143 | 114.9 Ų | 114.9 | 67% | 0.668 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -75.4 | -38.8 | 173 | -72.4 | 179.9 | -31.8 | 0 | 0 | 112.9 | L146 K148 | L146-Q150 WeakPolarHBondContact O-CG 3.39Å; L146-Q150 PolarHBondContact O-N 3.12Å; K148-Q150 PolarHBondContact O-N 3.32Å; K148-Q150 VanDerWaalsContact O-N 3.1Å |
| 151 | K | 76.6 | Confident | 72.6 | Confident | 191 Ų | 191 | 116.9 Ų | 116.9 | 83% | 0.83 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -76.1 | -34.9 | -178.1 | -172.6 | 164 | -179.7 | 171.9 | 0 | 113.5 | R147 K148 G153 | R147-K151 WeakPolarHBondContact O-CB 3.42Å; R147-K151 PolarHBondContact O-N 3.03Å; K148-K151 CarbonylContact O-C 3.48Å; K148-K151 WeakPolarHBondContact O-CA 3.44Å; K148-K151 PolarHBondContact O-N 3.33Å; K151-G153 PolarHBondContact O-N 3.3Å; K151-G153 VanDerWaalsContact O-N 3.09Å |
| 152 | M | 66.4 | Low | 71 | Confident | 104 Ų | 104 | 112.5 Ų | 112.5 | 51% | 0.512 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -80.8 | 76.3 | 162.6 | 34 | 175.1 | -68.3 | 0 | 0 | 107.6 | K148 G154 H156 | K148-M152 WeakPolarHBondContact O-CG 3.45Å; K148-M152 PolarHBondContact O-N 2.98Å; M152-G154 PolarHBondContact O-N 3.2Å; M152-H156 WeakPolarHBondContact CE-CE1 3.23Å |
| 153 | G | 62.6 | Low | 69.2 | Low | 59 Ų | 59 | 116.9 Ų | 116.9 | 61% | 0.608 | 56% | 0.562 | S | S | * | * | | | trans | -12.9 | 107.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | K151 F155 | K151-G153 PolarHBondContact O-N 3.3Å; K151-G153 VanDerWaalsContact O-N 3.09Å; G153-F155 PolarHBondContact O-N 2.83Å |
| 154 | G | 65.9 | Low | 67.5 | Low | 30 Ų | 30 | 116.6 Ų | 116.6 | 31% | 0.309 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -64.9 | 92.6 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | M152 | M152-G154 PolarHBondContact O-N 3.2Š|
| 155 | F | 51.7 | Low | 66 | Low | 166 Ų | 166 | 117.7 Ų | 117.7 | 73% | 0.728 | 58% | 0.583 | S | S | * | * | | | trans | -155.6 | 41.9 | 163.6 | -70.3 | -70.3 | 0 | 0 | 0 | 112.2 | G153 M158 | G153-F155 PolarHBondContact O-N 2.83Å; F155-M158 HydrophobicContact CD1-CG 4.02Å |
| 156 | H | 53.2 | Low | 64.5 | Low | 122 Ų | 122 | 118.8 Ų | 118.8 | 57% | 0.565 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -101.1 | -9.3 | 165.9 | 66.5 | -87.9 | 0 | 0 | 0 | 113 | M152 | M152-H156 WeakPolarHBondContact CE-CE1 3.23Š|
| 157 | W | 53.5 | Low | 63.1 | Low | 168 Ų | 168 | 119.2 Ų | 119.2 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -90.5 | -11 | 175.3 | 65.7 | -92.6 | 0 | 0 | 0 | 113.3 | P159 | W157-P159 WeakPolarHBondContact O-CD 3.29Š|
| 158 | M | 58.2 | Low | 61.7 | Low | 88 Ų | 88 | 119.7 Ų | 119.7 | 43% | 0.433 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -77.8 | 123.4 | 166.9 | -67.9 | -64.6 | -94.2 | 0 | 0 | 107.9 | F155 R160 | F155-M158 HydrophobicContact CD1-CG 4.02Å; M158-R160 PolarHBondContact O-N 3Å |
| 159 | P | 61.6 | Low | 60.4 | Low | 84 Ų | 84 | 125.7 Ų | 125.7 | 55% | 0.545 | 64% | 0.636 | S | S | . | * | | | trans | -52.6 | 128.6 | 170.1 | -24.4 | 34 | 0 | 0 | 0 | 109.2 | W157 D161 A162 | W157-P159 WeakPolarHBondContact O-CD 3.29Å; P159-D161 HydrophobicContact CB-CB 4.48Å; P159-D161 PolarHBondContact O-N 3.49Å; P159-A162 PolarHBondContact O-N 3.42Å; P159-A162 VanDerWaalsContact O-N 3.13Å |
| 160 | R | 56.2 | Low | 58.8 | Low | 223 Ų | 223 | 121.9 Ų | 121.9 | 84% | 0.842 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -18.5 | 178.8 | -150.7 | -179.7 | -129.8 | -100.5 | 3.1 | 112 | M158 A162 Q163 D164 | M158-R160 PolarHBondContact O-N 3Å; R160-A162 PolarHBondContact O-N 3.36Å; R160-Q163 PolarHBondContact O-N 3.11Å; R160-D164 PolarHBondContact O-N 2.86Å |
| 161 | D | 58 | Low | 57.5 | Low | 127 Ų | 127 | 124.5 Ų | 124.5 | 68% | 0.679 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -64.5 | -21.1 | 178.5 | -53.7 | -57.3 | 0 | 0 | 0 | 114.1 | P159 Q163 | P159-D161 HydrophobicContact CB-CB 4.48Å; P159-D161 PolarHBondContact O-N 3.49Å; D161-Q163 VanDerWaalsContact C-N 3.34Å |
| 162 | A | 56.4 | Low | 56.6 | Low | 62 Ų | 62 | 127.5 Ų | 127.5 | 51% | 0.512 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -77.2 | -20.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P159 R160 | P159-A162 PolarHBondContact O-N 3.42Å; P159-A162 VanDerWaalsContact O-N 3.13Å; R160-A162 PolarHBondContact O-N 3.36Å |
| 163 | Q | 54.9 | Low | 56 | Low | 150 Ų | 150 | 125.5 Ų | 125.5 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -89.8 | -27.8 | 175.2 | -68.1 | -83.9 | 31.4 | 0 | 0 | 111.8 | R160 D161 A165 | R160-Q163 PolarHBondContact O-N 3.11Å; D161-Q163 VanDerWaalsContact C-N 3.34Å; Q163-A165 VanDerWaalsContact C-N 3.33Å |
| 164 | D | 54.3 | Low | 55.5 | Low | 102 Ų | 102 | 129.4 Ų | 129.4 | 55% | 0.545 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -79.5 | -15.4 | -178.9 | -148.8 | 33.9 | 0 | 0 | 0 | 113 | R160 L166 | R160-D164 PolarHBondContact O-N 2.86Å; D164-L166 VanDerWaalsContact C-N 3.25Å; D164-L166 PolarHBondContact O-N 2.84Å |
| 165 | A | 56.6 | Low | 54.8 | Low | 83 Ų | 83 | 139.1 Ų | 139.1 | 69% | 0.686 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -14.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q163 | Q163-A165 VanDerWaalsContact C-N 3.33Š|
| 166 | L | 55.5 | Low | 54.6 | Low | 140 Ų | 140 | 135 Ų | 135 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -0.9 | -178.1 | -63.5 | 179.3 | 0 | 0 | 0 | 114 | D164 | D164-L166 VanDerWaalsContact C-N 3.25Å; D164-L166 PolarHBondContact O-N 2.84Å |
| 167 | V | 56.8 | Low | 54.6 | Low | 99 Ų | 99 | 135.4 Ų | 135.4 | 60% | 0.6 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -121 | 99.4 | 169 | -169.2 | 0 | 0 | 0 | 0 | 108.2 | R169 | V167-R169 VanDerWaalsContact C-N 3.31Å; V167-R169 PolarHBondContact O-N 3.28Å |
| 168 | P | 52.7 | Low | 54.5 | Low | 125 Ų | 125 | 138.9 Ų | 138.9 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | | | trans | -65.9 | 97.4 | 174.4 | 25.8 | -30.7 | 0 | 0 | 0 | 108.8 | G170 | P168-G170 VanDerWaalsContact C-N 3.29Å; P168-G170 PolarHBondContact O-N 3.1Å |
| 169 | R | 57.8 | Low | 53.9 | Low | 231 Ų | 231 | 138.2 Ų | 138.2 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | | | trans | -73.4 | 85.2 | 172.2 | -153.1 | 178.5 | -173.1 | 168.2 | 1.6 | 108.5 | V167 | V167-R169 VanDerWaalsContact C-N 3.31Å; V167-R169 PolarHBondContact O-N 3.28Å |
| 170 | G | 48.1 | Very low | 53.3 | Low | 63 Ų | 63 | 138.4 Ų | 138.4 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | | | trans | 108.7 | 96.9 | 152 | 0 | 0 | 0 | 0 | 0 | 117.4 | P168 R172 | P168-G170 VanDerWaalsContact C-N 3.29Å; P168-G170 PolarHBondContact O-N 3.1Å; G170-R172 VanDerWaalsContact C-N 3.31Å; G170-R172 PolarHBondContact O-N 2.95Å |
| 171 | Q | 50.1 | Low | 52.8 | Low | 197 Ų | 197 | 131.5 Ų | 131.5 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | | | trans | -84.9 | 83.8 | 136.3 | -75.1 | -164.8 | 30.1 | 0 | 0 | 108.1 | G173 | Q171-G173 PolarHBondContact O-N 3.32Š|
| 172 | R | 59.1 | Low | 52.5 | Low | 254 Ų | 254 | 137.9 Ų | 137.9 | 96% | 0.958 | 78% | 0.779 | S | S | * | * | | | trans | -76.3 | 103.1 | 160.3 | -111.2 | -174.4 | 179.7 | -145.5 | 1.6 | 107 | G170 | G170-R172 VanDerWaalsContact C-N 3.31Å; G170-R172 PolarHBondContact O-N 2.95Å |
| 173 | G | 53.9 | Low | 52.2 | Low | 62 Ų | 62 | 138.5 Ų | 138.5 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | | | trans | 134.7 | 88.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q171 | Q171-G173 PolarHBondContact O-N 3.32Š|
| 174 | V | 51.2 | Low | 52 | Low | 141 Ų | 141 | 139.4 Ų | 139.4 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | | | | -166.8 | 108.1 | 121.9 | -99.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 175 | R | 50.6 | Low | 52.1 | Low | 235 Ų | 235 | 144 Ų | 144 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | | | trans | 37 | 95 | 137.3 | -163.6 | 174.1 | -174.6 | -112.8 | 4 | 117.9 | | |
| 176 | G | 48 | Very low | 51.9 | Low | 79 Ų | 79 | 145.9 Ų | 145.9 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | | | trans | -124.7 | 93 | 155.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | R178 | G176-R178 PolarHBondContact O-N 3.2Š|
| 177 | V | 53.3 | Low | 51.9 | Low | 131 Ų | 131 | 147 Ų | 147 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | | | trans | -75 | 109.9 | 168.4 | 165.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 178 | R | 51.8 | Low | 51.9 | Low | 240 Ų | 240 | 151.3 Ų | 151.3 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | | | trans | -174.8 | 90.1 | 154.2 | -166.6 | 175.4 | -70.8 | -133.4 | 2 | 105.6 | G176 | G176-R178 PolarHBondContact O-N 3.2Š|
| 179 | G | 44.1 | Very low | 51.9 | Low | 74 Ų | 74 | 153 Ų | 153 | 76% | 0.763 | 83% | 0.831 | S | S | * | * | | | | 110.5 | 113.2 | 64.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 180 | G | 50.9 | Low | 52 | Low | 88 Ų | 88 | 145.9 Ų | 145.9 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | | | trans | 73.3 | 111.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 181 | G | 43.8 | Very low | 52.6 | Low | 79 Ų | 79 | 148.7 Ų | 148.7 | 81% | 0.814 | 83% | 0.828 | S | S | * | * | | | trans | -177.1 | 73.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 182 | R | 53.3 | Low | 52.6 | Low | 260 Ų | 260 | 149.3 Ų | 149.3 | 98% | 0.981 | 83% | 0.828 | S | S | * | * | | | trans | -62.7 | 131.7 | 172.7 | -60.2 | 178.5 | -170.8 | -123.7 | 2.4 | 109.1 | | |
| 183 | G | 50.4 | Low | 52.4 | Low | 75 Ų | 75 | 146.4 Ų | 146.4 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | | | trans | -157 | 32.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | K185 | G183-K185 PolarHBondContact O-N 3.13Š|
| 184 | Q | 49.9 | Very low | 52.3 | Low | 169 Ų | 169 | 150.7 Ų | 150.7 | 79% | 0.79 | 85% | 0.848 | S | S | * | * | | | trans | -75.4 | 111.5 | 155.9 | -88.2 | -178 | -93.8 | 0 | 0 | 107.2 | D186 | Q184-D186 PolarHBondContact NE2-OD2 3.25Å; Q184-D186 VanDerWaalsContact NE2-OD2 3.07Å |
| 185 | K | 56.1 | Low | 52.4 | Low | 200 Ų | 200 | 151.2 Ų | 151.2 | 87% | 0.87 | 85% | 0.848 | S | S | * | * | | | trans | -119.7 | 84.2 | 155 | -73.5 | -175.7 | 177.3 | -177.8 | 0 | 105.9 | G183 L187 | G183-K185 PolarHBondContact O-N 3.13Å; K185-L187 PolarHBondContact O-N 2.99Å |
| 186 | D | 52 | Low | 52.5 | Low | 121 Ų | 121 | 146.5 Ų | 146.5 | 65% | 0.647 | 85% | 0.846 | S | S | * | * | | | trans | -62.1 | 113.1 | 152.6 | -60 | -57.7 | 0 | 0 | 0 | 106.3 | Q184 | Q184-D186 PolarHBondContact NE2-OD2 3.25Å; Q184-D186 VanDerWaalsContact NE2-OD2 3.07Å |
| 187 | L | 56.8 | Low | 52.8 | Low | 164 Ų | 164 | 150.5 Ų | 150.5 | 86% | 0.859 | 85% | 0.848 | S | S | * | * | | | trans | -140.5 | 93.3 | 158.4 | -140.4 | 81.9 | 0 | 0 | 0 | 107.2 | K185 D189 | K185-L187 PolarHBondContact O-N 2.99Å; L187-D189 PolarHBondContact O-N 3.04Å |
| 188 | E | 55.2 | Low | 52.7 | Low | 189 Ų | 189 | 151.7 Ų | 151.7 | 88% | 0.883 | 85% | 0.851 | S | S | * | * | | | trans | -46.3 | 126.7 | 155.7 | -61.7 | -84.3 | 154.6 | 0 | 0 | 109.1 | | |
| 189 | D | 53.1 | Low | 52.8 | Low | 161 Ų | 161 | 145.8 Ų | 145.8 | 86% | 0.861 | 85% | 0.847 | S | S | * | * | | | trans | -147.7 | 135.1 | 149.9 | -160.6 | 17.3 | 0 | 0 | 0 | 109.9 | L187 | L187-D189 PolarHBondContact O-N 3.04Š|
| 190 | A | 61.2 | Low | 53.4 | Low | 82 Ų | 82 | 150.9 Ų | 150.9 | 68% | 0.678 | 85% | 0.853 | S | S | * | * | | | trans | -88.4 | 178.3 | -159.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 191 | P | 58.9 | Low | 53.6 | Low | 122 Ų | 122 | 155.8 Ų | 155.8 | 79% | 0.792 | 85% | 0.849 | S | S | * | * | | | trans | -77.7 | 147.2 | -161.6 | 32.5 | -34.5 | 0 | 0 | 0 | 113.9 | | |
| 192 | F | 50.3 | Low | 54.4 | Low | 210 Ų | 210 | 162.2 Ų | 162.2 | 92% | 0.921 | 85% | 0.852 | S | S | * | * | | | trans | -76.7 | 132.2 | 169.5 | -160.3 | -95.8 | 0 | 0 | 0 | 110.3 | | |
| 193 | V | 56.3 | Low | 54.5 | Low | 193 Ų | 193 | 153.3 Ų | 153.3 | 100% | 1.17 | 84% | 0.84 | S | S | * | * | | | trans | -75.9 | 0 | 176 | 172.1 | 0 | 0 | 0 | 0 | 111 | | |