| 1 | M | 41.4 | Very low | 39 | Very low | 236 Ų | 236 | 150.4 Ų | 150.4 | 100% | 1.163 | 84% | 0.843 | S | S | * | * | | | | 0 | 110.7 | 0 | -81.9 | 159.7 | 90.6 | 0 | 0 | 104 | | |
| 2 | D | 32.6 | Very low | 38.5 | Very low | 158 Ų | 158 | 151.1 Ų | 151.1 | 85% | 0.845 | 84% | 0.843 | S | S | * | * | | | trans | -114.2 | 136.7 | -176.1 | -84.5 | -89.7 | 0 | 0 | 0 | 110.2 | V4 | D2-V4 PolarHBondContact O-N 3.26Š|
| 3 | V | 38.1 | Very low | 38.8 | Very low | 135 Ų | 135 | 148.3 Ų | 148.3 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | | | trans | -94.1 | 101.2 | -174.7 | 179.2 | 0 | 0 | 0 | 0 | 108.2 | S5 | V3-S5 PolarHBondContact O-N 3.08Š|
| 4 | V | 35.8 | Very low | 39 | Very low | 134 Ų | 134 | 149.9 Ų | 149.9 | 81% | 0.812 | 84% | 0.84 | S | S | * | * | | | trans | -77.5 | 106.4 | 171.2 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | D2 | D2-V4 PolarHBondContact O-N 3.26Š|
| 5 | S | 32.9 | Very low | 38.9 | Very low | 99 Ų | 99 | 152.2 Ų | 152.2 | 69% | 0.692 | 84% | 0.842 | S | S | * | * | | | trans | -66.5 | 143.4 | 174.4 | -66.1 | 0 | 0 | 0 | 0 | 111.8 | V3 E7 | V3-S5 PolarHBondContact O-N 3.08Å; S5-E7 PolarHBondContact O-N 3.29Å |
| 6 | P | 49.7 | Very low | 38.7 | Very low | 128 Ų | 128 | 152.1 Ų | 152.1 | 83% | 0.831 | 84% | 0.838 | S | S | * | * | | | trans | -100.3 | 48.6 | -158.3 | 40.5 | -39.1 | 0 | 0 | 0 | 115.4 | | |
| 7 | E | 42.8 | Very low | 38.4 | Very low | 176 Ų | 176 | 153.2 Ų | 153.2 | 82% | 0.822 | 84% | 0.838 | S | S | * | * | | | trans | -123.6 | 67.6 | -178.2 | -67.7 | -162 | 123 | 0 | 0 | 113.9 | S5 | S5-E7 PolarHBondContact O-N 3.29Š|
| 8 | L | 39 | Very low | 38 | Very low | 174 Ų | 174 | 154.2 Ų | 154.2 | 91% | 0.911 | 84% | 0.842 | S | S | * | * | | | trans | -162.3 | 60.9 | 164.1 | -117.6 | 167.2 | 0 | 0 | 0 | 112.5 | | |
| 9 | N | 38.2 | Very low | 37.9 | Very low | 141 Ų | 141 | 152.1 Ų | 152.1 | 75% | 0.754 | 84% | 0.835 | S | S | * | * | | | trans | -141.1 | 45.9 | 175.2 | -157.5 | 98.8 | 0 | 0 | 0 | 112.6 | | |
| 10 | S | 42.2 | Very low | 37.7 | Very low | 114 Ų | 114 | 153.3 Ų | 153.3 | 80% | 0.797 | 83% | 0.834 | S | S | * | * | | | trans | -157.5 | 99.1 | 167.6 | -76.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 11 | L | 36.1 | Very low | 37.4 | Very low | 159 Ų | 159 | 150.3 Ų | 150.3 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | | | trans | -179.6 | 134.3 | 147.1 | -102.3 | 165.8 | 0 | 0 | 0 | 109.7 | | |
| 12 | L | 33.7 | Very low | 37 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 69.8 | 140.4 | 172.7 | -52 | 171 | 0 | 0 | 0 | 117.6 | | |
| 13 | P | 41.4 | Very low | 36.9 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | | | cis | -132.3 | 144 | -44.7 | 35.2 | -20.7 | 0 | 0 | 0 | 113.2 | | |
| 14 | D | 41.8 | Very low | 36.5 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | | | trans | -96.7 | 105.4 | 175.1 | -81.7 | -59.3 | 0 | 0 | 0 | 112.1 | | |
| 15 | E | 38.4 | Very low | 36.4 | Very low | 185 Ų | 185 | 141.4 Ų | 141.4 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | trans | 178.8 | 144.1 | 157.4 | -108.7 | 173.8 | -175.4 | 0 | 0 | 106.5 | | |
| 16 | I | 34.8 | Very low | 36.7 | Very low | 151 Ų | 151 | 141.9 Ų | 141.9 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | | | cis | -143 | 135.4 | 15.9 | -48.6 | 164.7 | 0 | 0 | 0 | 108.6 | | |
| 17 | M | 33.3 | Very low | 35.8 | Very low | 170 Ų | 170 | 144.8 Ų | 144.8 | 84% | 0.837 | 78% | 0.776 | S | S | * | * | | | trans | 167.3 | 101.6 | 135.7 | -96.4 | -164.8 | 71.8 | 0 | 0 | 111.3 | | |
| 18 | D | 32.4 | Very low | 35 | Very low | 171 Ų | 171 | 141.9 Ų | 141.9 | 91% | 0.914 | 78% | 0.775 | S | S | * | * | | | trans | -155.2 | 147.6 | 144.9 | -120.9 | -29.1 | 0 | 0 | 0 | 109 | | |
| 19 | T | 35.5 | Very low | 34.4 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | | | trans | -133.5 | 117.9 | -165.7 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 20 | E | 33.2 | Very low | 33.9 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | | | trans | 71.3 | 152.8 | 159 | -70.2 | -71.4 | 95.6 | 0 | 0 | 121.2 | | |
| 21 | A | 32.9 | Very low | 33.3 | Very low | 90 Ų | 90 | 144.1 Ų | 144.1 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | | | trans | 73.5 | 130 | 158.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 22 | I | 32.6 | Very low | 33.1 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 50% | 0.497 | 78% | 0.775 | S | S | . | * | | | trans | -150.2 | 139.6 | 176.6 | -47.5 | 169.6 | 0 | 0 | 0 | 106.7 | T322 V323 | I22-T322 HydrophobicContact CB-CG2 3.9Å; I22-T322 HydrophobicContact CG2-CG2 3.7Å; I22-T322 WeakPolarHBondContact O-CG2 3.32Å; I22-V323 CarbonylContact O-C 3.43Å; I22-V323 PolarHBondContact O-N 3.01Å |
| 23 | E | 30.1 | Very low | 32.8 | Very low | 85 Ų | 85 | 140 Ų | 140 | 40% | 0.397 | 77% | 0.767 | S | S | . | * | | | trans | -150.4 | 146.3 | 144.8 | -132.7 | -160.7 | -121 | 0 | 0 | 118 | T322 V323 V324 | E23-T322 HydrophobicContact CB-CG2 4.19Å; E23-T322 HydrophobicContact CG-CG2 3.62Å; E23-V323 VanDerWaalsContact CB-C 3.47Å; E23-V323 VanDerWaalsContact CG-C 3.46Å; E23-V323 WeakPolarHBondContact OE1-CA 3.27Å; E23-V324 HydrophobicContact CB-CB 4.26Å; E23-V324 HydrophobicContact CB-CG2 4.31Å; E23-V324 VanDerWaalsContact CD-CA 3.46Å; E23-V324 HydrophobicContact CG-CB 4.31Å; E23-V324 WeakPolarHBondContact OE1-CA 3.41Å; E23-V324 WeakPolarHBondContact OE1-CB 3.28Å; E23-V324 PolarHBondContact OE1-N 3.25Å; E23-V324 WeakPolarHBondContact OE2-CB 3.4Å; E23-V324 WeakPolarHBondContact OE2-CG2 3.36Å |
| 24 | E | 29.6 | Very low | 32.2 | Very low | 171 Ų | 171 | 143.6 Ų | 143.6 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | | | trans | -128 | 150.6 | 146.9 | -61 | -174.2 | 111.9 | 0 | 0 | 108.3 | | |
| 25 | V | 33.1 | Very low | 31.4 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | | | trans | 156 | 152.5 | 144.9 | 153.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 26 | P | 39.7 | Very low | 30.8 | Very low | 110 Ų | 110 | 140 Ų | 140 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | | | cis | -112.1 | 169.1 | -1 | 12.5 | 10.8 | 0 | 0 | 0 | 115 | | |
| 27 | H | 30 | Very low | 30.4 | Very low | 188 Ų | 188 | 138.1 Ų | 138.1 | 87% | 0.87 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 143 | 153.8 | -123.9 | 62.6 | 0 | 0 | 0 | 109.7 | | |
| 28 | S | 27.2 | Very low | 30.4 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 145.5 | 167.9 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 29 | Q | 27.1 | Very low | 30.9 | Very low | 195 Ų | 195 | 133.6 Ų | 133.6 | 91% | 0.911 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 146.6 | -176.4 | -64 | 171.7 | -38.2 | 0 | 0 | 112.5 | | |
| 30 | S | 26.9 | Very low | 30.6 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | | | trans | -162 | 103.8 | 147.4 | 61.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 31 | E | 28.4 | Very low | 30.4 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | trans | -66 | 158.9 | 152.1 | -72.6 | -83 | 114.4 | 0 | 0 | 108.8 | | |
| 32 | P | 32.4 | Very low | 30.6 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | | | | -137.5 | 151.1 | 102.3 | 37.7 | -28 | 0 | 0 | 0 | 114.5 | | |
| 33 | T | 27.5 | Very low | 30.4 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | | | trans | -71.2 | 157.6 | 169.4 | 46.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 34 | H | 29.3 | Very low | 30.5 | Very low | 189 Ų | 189 | 140.1 Ų | 140.1 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | | | trans | -164.3 | 131.8 | 141 | -118 | -74.8 | 0 | 0 | 0 | 112.4 | | |
| 35 | D | 25.1 | Very low | 31.7 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | | | trans | -68.3 | 157.6 | 165.7 | -72.2 | -85.9 | 0 | 0 | 0 | 112.5 | | |
| 36 | T | 26.8 | Very low | 31.5 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | | | | -169.2 | 141.4 | 125.6 | -74.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 37 | S | 25.6 | Very low | 30.9 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -53 | 156.9 | -176.4 | -44.3 | 0 | 0 | 0 | 0 | 121 | | |
| 38 | V | 33.7 | Very low | 31.1 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | | | trans | -53.8 | 140.9 | 154.8 | 167.7 | 0 | 0 | 0 | 0 | 112.1 | M40 | V38-M40 HydrophobicContact CG1-CB 4.28Š|
| 39 | P | 42.4 | Very low | 31.1 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | | -123.7 | 154.1 | 90.7 | 2.5 | 20.4 | 0 | 0 | 0 | 112.6 | | |
| 40 | M | 29.9 | Very low | 31.2 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | | | cis | 82.2 | 111.7 | 36.3 | -165.9 | -156.6 | 84.6 | 0 | 0 | 114.7 | V38 | V38-M40 HydrophobicContact CG1-CB 4.28Š|
| 41 | E | 28.2 | Very low | 31.3 | Very low | 194 Ų | 194 | 137.1 Ų | 137.1 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | | | trans | -143 | 145.2 | 144.8 | -76.9 | -154.9 | 112.9 | 0 | 0 | 109.4 | | |
| 42 | T | 36.9 | Very low | 31.3 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | -152.7 | 126.7 | -179.3 | -62.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 43 | D | 28.5 | Very low | 31.1 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | | | trans | -142.2 | 106.7 | 171.3 | -141.1 | -50 | 0 | 0 | 0 | 106.6 | | |
| 44 | A | 33 | Very low | 31.1 | Very low | 73 Ų | 73 | 135.5 Ų | 135.5 | 60% | 0.603 | 79% | 0.786 | S | S | * | * | | | cis | 88.4 | 167.7 | 49.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 45 | P | 53.6 | Low | 31.2 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | | | | -139.3 | 156.9 | -107.3 | 36.6 | -16.1 | 0 | 0 | 0 | 117.8 | | |
| 46 | V | 29.8 | Very low | 31.5 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | | | trans | -163.8 | 152.4 | 162 | -84.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 47 | T | 27.5 | Very low | 31.7 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | | | cis | -150.9 | 164.6 | -6.2 | 6.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 48 | S | 32.6 | Very low | 32.1 | Very low | 106 Ų | 106 | 131 Ų | 131 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | | | trans | -87.9 | 153.5 | 175 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 49 | E | 27.2 | Very low | 32.8 | Very low | 195 Ų | 195 | 131.1 Ų | 131.1 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | | | trans | -161.4 | 160.1 | 137.7 | -118.9 | 176.8 | 166.4 | 0 | 0 | 113 | | |
| 50 | S | 30.5 | Very low | 32.6 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | | | trans | -151.2 | 146.9 | -172.1 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 51 | L | 28.1 | Very low | 32.8 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | trans | 175.7 | 126 | 157.9 | -92.9 | 156.2 | 0 | 0 | 0 | 107.5 | | |
| 52 | N | 29.1 | Very low | 33 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | | | | 64.5 | 139.2 | 89.2 | -73.4 | 7.8 | 0 | 0 | 0 | 115.5 | | |
| 53 | T | 28.6 | Very low | 32.9 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 69% | 0.693 | 77% | 0.771 | S | S | * | * | | | cis | -170.3 | 161.1 | 0.8 | 13.8 | 0 | 0 | 0 | 0 | 112 | | |
| 54 | C | 27.1 | Very low | 33.2 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | 68.9 | 157.3 | 152.8 | -72.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 55 | S | 31.3 | Very low | 33.2 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | | | cis | -160.3 | 163.3 | -6.8 | -109.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 56 | N | 31.3 | Very low | 32.2 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -11.4 | 147 | 165.7 | -56.9 | -9.6 | 0 | 0 | 0 | 122.2 | | |
| 57 | A | 29.9 | Very low | 32.4 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | | 179.4 | 153.1 | 101.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 58 | T | 34.6 | Very low | 32.7 | Very low | 134 Ų | 134 | 127.5 Ų | 127.5 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | trans | -133.9 | 166.6 | 165 | 53.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 59 | P | 48.9 | Very low | 32.8 | Very low | 133 Ų | 133 | 127.4 Ų | 127.4 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | -140.9 | 174.7 | 130.9 | 37.6 | -24.5 | 0 | 0 | 0 | 113.9 | | |
| 60 | A | 38.4 | Very low | 33 | Very low | 98 Ų | 98 | 122.5 Ų | 122.5 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | -155.4 | 151.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 61 | E | 32.9 | Very low | 33.2 | Very low | 155 Ų | 155 | 122.1 Ų | 122.1 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | | | trans | -165.1 | 170.7 | 166.6 | -73.4 | -146.9 | 136.1 | 0 | 0 | 108.7 | | |
| 62 | R | 33.9 | Very low | 33.4 | Very low | 197 Ų | 197 | 119 Ų | 119 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | | | cis | -173.4 | 168.8 | -32.8 | -96 | 159.5 | 77 | -171.5 | -1.9 | 107.2 | | |
| 63 | V | 33.2 | Very low | 33.4 | Very low | 99 Ų | 99 | 120 Ų | 120 | 60% | 0.6 | 77% | 0.774 | S | S | * | * | | | cis | -171.5 | 154.9 | -40.7 | 73 | 0 | 0 | 0 | 0 | 109 | | |
| 64 | Q | 35 | Very low | 33.5 | Very low | 178 Ų | 178 | 120 Ų | 120 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | trans | 64.9 | 169 | 168.4 | -74.2 | 149.7 | -3.2 | 0 | 0 | 118 | | |
| 65 | A | 34.1 | Very low | 33.8 | Very low | 96 Ų | 96 | 118.9 Ų | 118.9 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | | | cis | -173.2 | -173.8 | -39 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 66 | A | 33 | Very low | 34.7 | Very low | 75 Ų | 75 | 120.5 Ų | 120.5 | 62% | 0.62 | 79% | 0.786 | S | S | * | * | | | cis | -163.3 | 169.1 | -0.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 67 | T | 32.7 | Very low | 34.4 | Very low | 142 Ų | 142 | 116.7 Ų | 116.7 | 87% | 0.871 | 78% | 0.783 | S | S | * | * | | | trans | 61.6 | 153.9 | 149.9 | 51 | 0 | 0 | 0 | 0 | 122 | | |
| 68 | A | 33.7 | Very low | 34.6 | Very low | 86 Ų | 86 | 117.7 Ų | 117.7 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | cis | -172.4 | 159.3 | -21.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 69 | A | 34.5 | Very low | 34.4 | Very low | 103 Ų | 103 | 119.9 Ų | 119.9 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | | | trans | 59.1 | 155.6 | 148.4 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 70 | A | 32.3 | Very low | 33.5 | Very low | 92 Ų | 92 | 118.6 Ų | 118.6 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | cis | -172.7 | 154.4 | -24.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 71 | A | 34.2 | Very low | 33 | Very low | 105 Ų | 105 | 119 Ų | 119 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | | | trans | 59.9 | 163.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 72 | A | 32.4 | Very low | 32.8 | Very low | 88 Ų | 88 | 119.4 Ų | 119.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | cis | -149.8 | 137.9 | -5.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 73 | D | 29.7 | Very low | 32.4 | Very low | 156 Ų | 156 | 115.8 Ų | 115.8 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | | | | 92.8 | 162.9 | 94 | -164.3 | 20.5 | 0 | 0 | 0 | 115 | | |
| 74 | S | 30.8 | Very low | 32.3 | Very low | 112 Ų | 112 | 118.3 Ų | 118.3 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | trans | 91.1 | 115.8 | 178.7 | -52.2 | 0 | 0 | 0 | 0 | 120 | | |
| 75 | A | 32.8 | Very low | 31.9 | Very low | 96 Ų | 96 | 115.8 Ų | 115.8 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | | | trans | -122.9 | -171.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 76 | P | 49.4 | Very low | 31.9 | Very low | 134 Ų | 134 | 115.8 Ų | 115.8 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | | | cis | -129.2 | -169.1 | -6.9 | 42.8 | -25.9 | 0 | 0 | 0 | 113.2 | | |
| 77 | G | 25.9 | Very low | 31.9 | Very low | 73 Ų | 73 | 117.7 Ų | 117.7 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | trans | 177.7 | 153.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 78 | S | 34.3 | Very low | 31.8 | Very low | 119 Ų | 119 | 116.3 Ų | 116.3 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | trans | -141.5 | 169.3 | -171.7 | -62.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 79 | Q | 30.2 | Very low | 31.8 | Very low | 180 Ų | 180 | 119.3 Ų | 119.3 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | | | trans | 98.2 | 105.7 | 160.8 | -52.6 | -169.5 | 17.5 | 0 | 0 | 119.8 | | |
| 80 | S | 29.6 | Very low | 31.8 | Very low | 106 Ų | 106 | 122.1 Ų | 122.1 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | | | | 51.2 | 125.9 | 117.3 | -50.9 | 0 | 0 | 0 | 0 | 124.2 | | |
| 81 | S | 29.1 | Very low | 31.7 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | | | trans | 68.2 | 132 | 133.5 | 63.3 | 0 | 0 | 0 | 0 | 122.3 | | |
| 82 | I | 27.2 | Very low | 31.4 | Very low | 163 Ų | 163 | 127.4 Ų | 127.4 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | | | | -176.6 | 161.5 | 116.7 | -95.3 | 161.4 | 0 | 0 | 0 | 111.6 | | |
| 83 | T | 27.2 | Very low | 31.2 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | | | trans | -114 | -171.4 | -178.1 | 42.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 84 | I | 30.4 | Very low | 31.1 | Very low | 151 Ų | 151 | 132.9 Ų | 132.9 | 77% | 0.774 | 82% | 0.816 | S | S | * | * | | | cis | -155.7 | 153.5 | 19.6 | -34.1 | 154.1 | 0 | 0 | 0 | 109 | | |
| 85 | S | 27.1 | Very low | 32 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 88% | 0.881 | 82% | 0.816 | S | S | * | * | | | trans | -163.5 | 140.6 | 149.3 | -87.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 86 | A | 33.8 | Very low | 31.6 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | | | trans | -158 | 142.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 87 | S | 31.6 | Very low | 30.7 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | | | trans | -171.5 | 137.5 | 157.8 | -80.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 88 | S | 32.6 | Very low | 30.9 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | | | cis | 108.6 | 98.2 | 22.1 | -72.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 89 | T | 31.8 | Very low | 30.5 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 91% | 0.908 | 81% | 0.814 | S | S | * | * | | | trans | -140.9 | 147.6 | 156.9 | 42.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 90 | L | 34.7 | Very low | 30.4 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | | | trans | -121.7 | 147.9 | 178.1 | -80 | 157.6 | 0 | 0 | 0 | 108.6 | | |
| 91 | F | 30.5 | Very low | 30.3 | Very low | 220 Ų | 220 | 133.8 Ų | 133.8 | 97% | 0.965 | 81% | 0.81 | S | S | * | * | | | trans | -158.7 | 166.3 | 141.5 | -100 | -64.7 | 0 | 0 | 0 | 109.7 | | |
| 92 | A | 28 | Very low | 30.2 | Very low | 88 Ų | 88 | 132.2 Ų | 132.2 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -143.2 | -167.1 | -161.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 93 | I | 29.4 | Very low | 30.2 | Very low | 168 Ų | 168 | 130.6 Ų | 130.6 | 86% | 0.862 | 80% | 0.802 | S | S | * | * | | | trans | 98.2 | 116.7 | 167.8 | -55.8 | 172.4 | 0 | 0 | 0 | 115.8 | | |
| 94 | K | 27 | Very low | 30.3 | Very low | 191 Ų | 191 | 130.2 Ų | 130.2 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | | | trans | -98.3 | -173.3 | 160.5 | -58.9 | 179.1 | 175.3 | 177.3 | 0 | 107.8 | | |
| 95 | P | 49.2 | Very low | 30.3 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | | | cis | -136.8 | -172.8 | -3 | 43.8 | -26.7 | 0 | 0 | 0 | 114.2 | | |
| 96 | A | 25.3 | Very low | 30.6 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | | -174.8 | 165.8 | 129.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 97 | L | 30.7 | Very low | 30.7 | Very low | 174 Ų | 174 | 132.5 Ų | 132.5 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | | | trans | -141.5 | 162.7 | 179.8 | -177.4 | 64.6 | 0 | 0 | 0 | 109.5 | | |
| 98 | A | 29 | Very low | 30.6 | Very low | 77 Ų | 77 | 133.2 Ų | 133.2 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | | | trans | 100.7 | 106.3 | 154 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 99 | T | 26.7 | Very low | 30.6 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | | | | 83.5 | 121.4 | 109.3 | -57.7 | 0 | 0 | 0 | 0 | 122.1 | | |
| 100 | S | 27.3 | Very low | 30.7 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | | | trans | 87.8 | 136.1 | 145.1 | -78.2 | 0 | 0 | 0 | 0 | 123 | | |
| 101 | T | 26.9 | Very low | 30.7 | Very low | 136 Ų | 136 | 131.9 Ų | 131.9 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | | | trans | 55.2 | 146.3 | 148.1 | 49.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 102 | A | 27.8 | Very low | 30.8 | Very low | 74 Ų | 74 | 124.7 Ų | 124.7 | 61% | 0.612 | 76% | 0.764 | S | S | * | * | | | cis | 151.4 | 140.9 | -18.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 103 | T | 28.4 | Very low | 31.1 | Very low | 130 Ų | 130 | 127 Ų | 127 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | | | trans | 64 | 149.3 | 168.2 | 51 | 0 | 0 | 0 | 0 | 116.3 | | |
| 104 | T | 28 | Very low | 31.2 | Very low | 113 Ų | 113 | 125 Ų | 125 | 69% | 0.693 | 77% | 0.765 | S | S | * | * | | | cis | -159.4 | 145.5 | 5.5 | -2.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 105 | K | 31.5 | Very low | 31.5 | Very low | 179 Ų | 179 | 121.8 Ų | 121.8 | 78% | 0.778 | 76% | 0.762 | S | S | * | * | | | trans | 55.7 | 124.3 | 137.9 | -84.8 | 177.8 | 176.4 | -172.9 | 0 | 124.3 | | |
| 106 | T | 33.1 | Very low | 30.6 | Very low | 127 Ų | 127 | 120.3 Ų | 120.3 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | | | trans | 65.1 | 157.7 | 134.7 | 53.8 | 0 | 0 | 0 | 0 | 121 | | |
| 107 | T | 35 | Very low | 30.9 | Very low | 115 Ų | 115 | 121 Ų | 121 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | cis | -103.9 | -146.9 | 0.5 | 50 | 0 | 0 | 0 | 0 | 111.2 | | |
| 108 | D | 29.9 | Very low | 31 | Very low | 131 Ų | 131 | 118.4 Ų | 118.4 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | cis | -162.4 | 171.3 | -4.8 | -124.3 | -43.1 | 0 | 0 | 0 | 107.4 | | |
| 109 | S | 32 | Very low | 31.2 | Very low | 90 Ų | 90 | 118.2 Ų | 118.2 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | | | cis | -156.1 | -173.3 | -4.1 | -148.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 110 | L | 33.8 | Very low | 31.6 | Very low | 153 Ų | 153 | 117.8 Ų | 117.8 | 80% | 0.801 | 75% | 0.747 | S | S | * | * | | | trans | -22.8 | 124.8 | 169.9 | -68.2 | 156.8 | 0 | 0 | 0 | 121.9 | | |
| 111 | T | 34.6 | Very low | 31.9 | Very low | 152 Ų | 152 | 120.9 Ų | 120.9 | 93% | 0.933 | 75% | 0.751 | S | S | * | * | | | | -169.1 | 160.7 | 105.4 | 17.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 112 | G | 32.5 | Very low | 32 | Very low | 68 Ų | 68 | 123.3 Ų | 123.3 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | trans | -174.1 | -169.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 113 | T | 34.2 | Very low | 32 | Very low | 136 Ų | 136 | 127.1 Ų | 127.1 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | | | trans | 120.3 | 122.8 | -170.7 | -67.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 114 | T | 33.1 | Very low | 31.9 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | cis | -158.1 | 174.3 | -5.3 | 19.1 | 0 | 0 | 0 | 0 | 107.1 | | |
| 115 | V | 32.2 | Very low | 32 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | | | cis | -149.7 | 172.7 | 13.9 | 88.2 | 0 | 0 | 0 | 0 | 112 | | |
| 116 | S | 31.5 | Very low | 32.8 | Very low | 91 Ų | 91 | 121.5 Ų | 121.5 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | | | trans | -27.2 | 154.2 | 159.2 | -62.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 117 | T | 30.9 | Very low | 32.4 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | | | cis | -160.3 | 137.2 | 0.2 | 25.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 118 | S | 32.4 | Very low | 31.9 | Very low | 120 Ų | 120 | 124 Ų | 124 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | | | | 61.6 | 128.8 | 63 | -55.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 119 | G | 32.6 | Very low | 31.8 | Very low | 73 Ų | 73 | 127.9 Ų | 127.9 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | | | cis | 171.7 | -164.4 | 1 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 120 | T | 35.1 | Very low | 31.4 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | | | cis | -163.9 | 144.8 | -6.6 | 53.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 121 | Q | 33.9 | Very low | 31.1 | Very low | 161 Ų | 161 | 127 Ų | 127 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | trans | 67.4 | 167.9 | 155.9 | -64.3 | -177.3 | 69.6 | 0 | 0 | 118.6 | | |
| 122 | K | 30.7 | Very low | 31 | Very low | 186 Ų | 186 | 124.2 Ų | 124.2 | 81% | 0.809 | 78% | 0.775 | S | S | * | * | | | cis | -146.5 | 163.6 | 4.8 | -147.6 | 169.3 | -176.7 | -179.1 | 0 | 114.7 | | |
| 123 | L | 26.3 | Very low | 30.9 | Very low | 155 Ų | 155 | 128.8 Ų | 128.8 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | trans | -62.2 | 141.7 | -176.1 | -173.5 | 76.6 | 0 | 0 | 0 | 117.9 | | |
| 124 | A | 26.6 | Very low | 30.7 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | | | trans | -158.1 | 143.8 | 143.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 125 | T | 29.6 | Very low | 30.6 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | | | trans | -133.1 | -177.4 | 171.9 | 58.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 126 | P | 48.7 | Very low | 30.5 | Very low | 91 Ų | 91 | 134.1 Ų | 134.1 | 59% | 0.591 | 79% | 0.785 | S | S | * | * | | | cis | -143.6 | -174.4 | 8.8 | 27.3 | 0.6 | 0 | 0 | 0 | 117.5 | | |
| 127 | F | 25.6 | Very low | 30.4 | Very low | 198 Ų | 198 | 136.8 Ų | 136.8 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | | | trans | 87.8 | 151 | 151.4 | -67.5 | -55.9 | 0 | 0 | 0 | 123.8 | | |
| 128 | A | 23.7 | Very low | 30.2 | Very low | 96 Ų | 96 | 139 Ų | 139 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | | | trans | 83.8 | 122 | 160.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 129 | F | 27.1 | Very low | 30 | Very low | 213 Ų | 213 | 140.8 Ų | 140.8 | 93% | 0.934 | 80% | 0.797 | S | S | * | * | | | trans | -90.7 | 154.1 | 172.2 | -55.9 | -101.4 | 0 | 0 | 0 | 111.1 | | |
| 130 | S | 23.8 | Very low | 29.9 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | | | | -157.2 | 161.9 | 128.7 | -157.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 131 | A | 28.2 | Very low | 29.6 | Very low | 97 Ų | 97 | 146.7 Ų | 146.7 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | trans | -84.6 | 154 | -163.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 132 | A | 31.7 | Very low | 29.4 | Very low | 92 Ų | 92 | 143.4 Ų | 143.4 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | | | trans | -152 | 127.1 | 144.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 133 | N | 31.1 | Very low | 29.3 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | | | trans | -11.5 | 129.8 | 167.7 | -60.4 | -70.6 | 0 | 0 | 0 | 119.7 | | |
| 134 | H | 30 | Very low | 29.7 | Very low | 180 Ų | 180 | 136.7 Ų | 136.7 | 83% | 0.833 | 80% | 0.798 | S | S | * | * | | | trans | -84.1 | 126.4 | 152.1 | -64.7 | -84.7 | 0 | 0 | 0 | 110.3 | | |
| 135 | Q | 30.3 | Very low | 29.9 | Very low | 177 Ų | 177 | 141.4 Ų | 141.4 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | | | trans | -127.5 | 103.6 | 154.8 | -169.5 | 176.6 | 30.5 | 0 | 0 | 108.1 | | |
| 136 | I | 30.6 | Very low | 30 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 72% | 0.723 | 80% | 0.802 | S | S | * | * | | | trans | -92.5 | 117.9 | 175.8 | -67.9 | 164.3 | 0 | 0 | 0 | 108.3 | | |
| 137 | I | 28.8 | Very low | 29.3 | Very low | 148 Ų | 148 | 141 Ų | 141 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | | | trans | -81.4 | 119.3 | 161.7 | -65 | 176.2 | 0 | 0 | 0 | 107.3 | N139 | I137-N139 PolarHBondContact O-N 3.33Š|
| 138 | L | 27.7 | Very low | 29.6 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | | | trans | -68.9 | 106.2 | 169.1 | -80.9 | 162.6 | 0 | 0 | 0 | 109.4 | | |
| 139 | N | 28.5 | Very low | 30 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | | | trans | -94.2 | 129.7 | 165.3 | -166.3 | 17.6 | 0 | 0 | 0 | 109.8 | I137 | I137-N139 PolarHBondContact O-N 3.33Š|
| 140 | K | 30.4 | Very low | 30.3 | Very low | 188 Ų | 188 | 134.7 Ų | 134.7 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | | | trans | -104.7 | 100.3 | -170.3 | -171.4 | 177.9 | 179.4 | 179.2 | 0 | 112.6 | | |
| 141 | V | 27.8 | Very low | 30.6 | Very low | 128 Ų | 128 | 138 Ų | 138 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | 44.8 | 107.4 | 144.5 | -170.7 | 0 | 0 | 0 | 0 | 118.5 | | |
| 142 | A | 30.4 | Very low | 30.7 | Very low | 92 Ų | 92 | 137.9 Ų | 137.9 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | trans | 154.1 | 155.9 | 136.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 143 | S | 29.4 | Very low | 30.7 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | cis | -171.4 | 166.9 | -27.2 | -91.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 144 | A | 33.2 | Very low | 30.7 | Very low | 89 Ų | 89 | 135.5 Ų | 135.5 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | | | trans | 70.1 | 130.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 145 | Q | 30.6 | Very low | 30.9 | Very low | 193 Ų | 193 | 131.5 Ų | 131.5 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | | | | 72.4 | 126.8 | 53.9 | -68.5 | -178.3 | -9.6 | 0 | 0 | 113.1 | | |
| 146 | A | 33.3 | Very low | 31.1 | Very low | 84 Ų | 84 | 129.2 Ų | 129.2 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | | | cis | -163.5 | 176.7 | -6.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 147 | T | 32.6 | Very low | 31.1 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 71% | 0.712 | 80% | 0.8 | S | S | * | * | | | trans | 82.6 | 104 | 148.3 | -40.9 | 0 | 0 | 0 | 0 | 120.8 | | |
| 148 | E | 31.8 | Very low | 30.9 | Very low | 184 Ų | 184 | 128.1 Ų | 128.1 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | trans | 75.7 | 156.8 | 139.5 | -68.8 | -174.3 | 122.9 | 0 | 0 | 125.8 | | |
| 149 | A | 33.1 | Very low | 30.9 | Very low | 96 Ų | 96 | 125.8 Ų | 125.8 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | | | trans | 79 | 91 | 153.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 150 | A | 32.5 | Very low | 30.8 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | | | | 66.7 | 111.3 | 124 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 151 | K | 30.3 | Very low | 30.7 | Very low | 198 Ų | 198 | 125 Ų | 125 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | | | | 75.5 | 90.2 | 120 | -161.9 | 178.7 | 178.9 | -178.1 | 0 | 120.8 | | |
| 152 | A | 31.8 | Very low | 30.9 | Very low | 94 Ų | 94 | 126.3 Ų | 126.3 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | | | | 86 | 150.5 | 125.2 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 153 | A | 30.8 | Very low | 31 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | trans | 86.8 | 114.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 154 | A | 31.8 | Very low | 31.1 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | | | trans | 73.3 | 158.2 | 147.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 155 | A | 34 | Very low | 31 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | | | trans | -114.1 | 165.6 | -165.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 156 | P | 34.6 | Very low | 30.9 | Very low | 129 Ų | 129 | 135.3 Ų | 135.3 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | trans | -110.8 | -171.4 | -157.3 | 42.8 | -37.2 | 0 | 0 | 0 | 117.3 | | |
| 157 | A | 29.1 | Very low | 30.6 | Very low | 88 Ų | 88 | 139.4 Ų | 139.4 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | | | trans | -41.4 | 157.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 158 | Q | 25.8 | Very low | 30.4 | Very low | 177 Ų | 177 | 141.1 Ų | 141.1 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | | | cis | 87.3 | 93.9 | 36.6 | -78.6 | -116.3 | -1.2 | 0 | 0 | 117.5 | | |
| 159 | V | 27.9 | Very low | 30.1 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 72% | 0.715 | 81% | 0.813 | S | S | * | * | | | trans | 62.3 | 153.8 | 135.1 | -141.8 | 0 | 0 | 0 | 0 | 123.1 | | |
| 160 | I | 25.7 | Very low | 29.8 | Very low | 149 Ų | 149 | 139 Ų | 139 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | | | trans | 87.1 | 115.7 | 162.2 | -55.8 | -177.5 | 0 | 0 | 0 | 115.7 | | |
| 161 | K | 28.5 | Very low | 29.6 | Very low | 178 Ų | 178 | 141.1 Ų | 141.1 | 77% | 0.774 | 81% | 0.811 | S | S | * | * | | | | 70.5 | 146.9 | 78.2 | -119.7 | -174.6 | -178.2 | -175.4 | 0 | 113.3 | | |
| 162 | Q | 32.6 | Very low | 29.7 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | | | cis | -155.4 | -177.5 | 18.1 | -168.6 | 165.2 | -11.6 | 0 | 0 | 112.5 | | |
| 163 | E | 32.2 | Very low | 29.7 | Very low | 186 Ų | 186 | 139 Ų | 139 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | | | trans | -74.4 | 167.7 | -177.3 | -62.6 | 167.4 | 89.4 | 0 | 0 | 117.3 | | |
| 164 | G | 30.7 | Very low | 29.7 | Very low | 77 Ų | 77 | 144.4 Ų | 144.4 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | | | trans | -145.2 | 150.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 165 | Q | 30.7 | Very low | 29.9 | Very low | 203 Ų | 203 | 145.5 Ų | 145.5 | 95% | 0.949 | 82% | 0.818 | S | S | * | * | | | trans | -82.2 | 162.9 | -173.6 | -71.6 | -178.7 | -16.3 | 0 | 0 | 114.4 | | |
| 166 | K | 29.4 | Very low | 29.8 | Very low | 207 Ų | 207 | 144.1 Ų | 144.1 | 90% | 0.9 | 81% | 0.814 | S | S | * | * | | | trans | -113.2 | 149.7 | 169.8 | -72.6 | -171.6 | 175.6 | -174.2 | 0 | 111.9 | | |
| 167 | L | 26.4 | Very low | 29.9 | Very low | 171 Ų | 171 | 146.7 Ų | 146.7 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | | | trans | -138.1 | 164.9 | 158.1 | -108.8 | 168.1 | 0 | 0 | 0 | 110.6 | | |
| 168 | L | 29.8 | Very low | 30.6 | Very low | 151 Ų | 151 | 147 Ų | 147 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | | | trans | -71.4 | 165.8 | -179.6 | -104.2 | 63.4 | 0 | 0 | 0 | 111.4 | | |
| 169 | V | 24.8 | Very low | 30.8 | Very low | 125 Ų | 125 | 146 Ų | 146 | 76% | 0.758 | 81% | 0.808 | S | S | * | * | | | | -164.1 | 142.7 | 65.3 | 161.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 170 | T | 27.3 | Very low | 30.7 | Very low | 112 Ų | 112 | 145.8 Ų | 145.8 | 69% | 0.687 | 81% | 0.807 | S | S | * | * | | | trans | 10.4 | 138.8 | 146.6 | -46.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 171 | T | 28.5 | Very low | 30.6 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | | | | -165.3 | 154.1 | 123.5 | 12.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 172 | I | 32.3 | Very low | 30.4 | Very low | 171 Ų | 171 | 144.7 Ų | 144.7 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | | | trans | -117.2 | 141.7 | 166.4 | -69.2 | 168.9 | 0 | 0 | 0 | 106.3 | | |
| 173 | G | 30.1 | Very low | 30.3 | Very low | 76 Ų | 76 | 143.9 Ų | 143.9 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | | | trans | -175.6 | 144.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 174 | K | 32.6 | Very low | 30.7 | Very low | 210 Ų | 210 | 140.6 Ų | 140.6 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | | | trans | -119.1 | 130.9 | 172.6 | -65.6 | 179.6 | -179.3 | 179.4 | 0 | 110 | | |
| 175 | S | 35.3 | Very low | 30.7 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 94% | 0.937 | 80% | 0.796 | S | S | * | * | | | trans | -176.8 | 171.5 | 151.3 | 45.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 176 | G | 32.6 | Very low | 30.7 | Very low | 68 Ų | 68 | 140.5 Ų | 140.5 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | trans | -147 | 169 | -175 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 177 | Q | 35.7 | Very low | 30.7 | Very low | 183 Ų | 183 | 136.7 Ų | 136.7 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | | | trans | 73.1 | 154.1 | -176.1 | -50.9 | -65.8 | 15.2 | 0 | 0 | 114.1 | | |
| 178 | P | 44.8 | Very low | 30.9 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 62% | 0.617 | 78% | 0.782 | S | S | * | * | | | | -138.3 | -154.6 | -88.6 | 33.1 | -9.4 | 0 | 0 | 0 | 113.4 | | |
| 179 | I | 29.9 | Very low | 30.9 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | 77.6 | 136.7 | 157.4 | -73 | 165.8 | 0 | 0 | 0 | 115.1 | | |
| 180 | V | 25.2 | Very low | 31.9 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 70% | 0.697 | 79% | 0.791 | S | S | * | * | | | cis | -159.9 | 173.3 | 0.9 | 119.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 181 | L | 23.8 | Very low | 31.9 | Very low | 137 Ų | 137 | 133 Ų | 133 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | | | trans | -19.6 | 164.1 | 169.6 | -73.9 | 38 | 0 | 0 | 0 | 120.3 | | |
| 182 | Q | 23.8 | Very low | 32.1 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | | -174.5 | 167.6 | 53.3 | -168.1 | 73.6 | -40.3 | 0 | 0 | 113 | | |
| 183 | L | 30.2 | Very low | 31.9 | Very low | 141 Ų | 141 | 129.4 Ų | 129.4 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | trans | -88.1 | 162.6 | 172.3 | -74.6 | 70.7 | 0 | 0 | 0 | 113.2 | | |
| 184 | P | 40.7 | Very low | 32 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | | | | -161.8 | 147.4 | 90.8 | 40.2 | -17.8 | 0 | 0 | 0 | 121.8 | | |
| 185 | H | 31.7 | Very low | 31.9 | Very low | 156 Ų | 156 | 129.5 Ų | 129.5 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | | | trans | 41.8 | 125 | 131.1 | -58.6 | -69.9 | 0 | 0 | 0 | 129.2 | | |
| 186 | T | 30.6 | Very low | 31.7 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | | 82.5 | 143.5 | 123.8 | 57.3 | 0 | 0 | 0 | 0 | 127.8 | | |
| 187 | S | 29.1 | Very low | 31.4 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | | | trans | 73 | 155.6 | 159.2 | 74.8 | 0 | 0 | 0 | 0 | 119.3 | | |
| 188 | G | 30.2 | Very low | 31.4 | Very low | 78 Ų | 78 | 128.5 Ų | 128.5 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | cis | -169.7 | 171.6 | -2.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 189 | K | 29 | Very low | 30.9 | Very low | 210 Ų | 210 | 127.4 Ų | 127.4 | 91% | 0.913 | 77% | 0.772 | S | S | * | * | | | trans | -104.2 | -177.9 | 179.5 | -84.5 | -175.1 | 178 | 178.9 | 0 | 111.7 | | |
| 190 | P | 46.4 | Very low | 30.9 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | | | cis | -128.7 | -169.2 | 1.3 | 40.8 | -22 | 0 | 0 | 0 | 114.2 | | |
| 191 | G | 28 | Very low | 31.2 | Very low | 64 Ų | 64 | 130 Ų | 130 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | | | cis | 160.7 | 179.3 | -10 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 192 | V | 33.1 | Very low | 32.2 | Very low | 148 Ų | 148 | 128.4 Ų | 128.4 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | | | trans | 73.2 | 137.8 | 163.6 | -178.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 193 | S | 27.8 | Very low | 32.6 | Very low | 88 Ų | 88 | 126.7 Ų | 126.7 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | | | cis | -152.7 | 162.3 | 1.9 | -136.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 194 | Q | 32 | Very low | 33.4 | Very low | 169 Ų | 169 | 126 Ų | 126 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | 35.4 | 147 | 139.7 | -66 | 177 | -36.8 | 0 | 0 | 122.9 | | |
| 195 | T | 29.4 | Very low | 32.8 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | | | cis | -164 | 144.5 | -4.8 | 14.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 196 | S | 31.2 | Very low | 32.9 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | 45 | 131.1 | 145.1 | 65.7 | 0 | 0 | 0 | 0 | 124.4 | | |
| 197 | G | 27 | Very low | 32.7 | Very low | 79 Ų | 79 | 132.2 Ų | 132.2 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | | | trans | 164.9 | 99.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 198 | D | 34.6 | Very low | 32.7 | Very low | 167 Ų | 167 | 132.1 Ų | 132.1 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | | | trans | -73.3 | 167.3 | 177.1 | -93.6 | -112.5 | 0 | 0 | 0 | 114.4 | | |
| 199 | A | 36.1 | Very low | 32.8 | Very low | 73 Ų | 73 | 134 Ų | 134 | 60% | 0.603 | 78% | 0.779 | S | S | * | * | | | cis | 173.6 | 135.8 | -33.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 200 | K | 28.4 | Very low | 32.8 | Very low | 217 Ų | 217 | 130.1 Ų | 130.1 | 94% | 0.943 | 77% | 0.773 | S | S | * | * | | | trans | -178.9 | 163.4 | 141.7 | -106.1 | 163.9 | -175.6 | 169.8 | 0 | 114.9 | | |
| 201 | S | 31.5 | Very low | 32.1 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | trans | -109.3 | -170.7 | -175.7 | 67.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 202 | P | 44.8 | Very low | 32.1 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | | | cis | -151.2 | -157.2 | 33.1 | 39.1 | -12.4 | 0 | 0 | 0 | 117.7 | | |
| 203 | T | 33.8 | Very low | 32.1 | Very low | 130 Ų | 130 | 129 Ų | 129 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | | | trans | 82.1 | 157.7 | 170.2 | 79.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 204 | P | 45.5 | Very low | 32.3 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | cis | -141.3 | -158.9 | 46.8 | 43.7 | -22.6 | 0 | 0 | 0 | 117 | | |
| 205 | Q | 28 | Very low | 32.1 | Very low | 167 Ų | 167 | 136.5 Ų | 136.5 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | | | trans | -140 | 147.2 | -178.8 | -98.4 | -170 | 5.9 | 0 | 0 | 113.6 | | |
| 206 | F | 33.9 | Very low | 32.1 | Very low | 174 Ų | 174 | 139 Ų | 139 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | | | trans | 63 | 135.5 | 146.3 | -82.8 | -61.4 | 0 | 0 | 0 | 125.6 | | |
| 207 | K | 28 | Very low | 32 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | | | | 110.2 | 134.6 | 125.9 | -94.8 | 178.1 | -179.8 | -178.5 | 0 | 122.4 | | |
| 208 | V | 28.8 | Very low | 33.1 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | | | trans | 64.2 | 130.2 | 151.2 | 178.1 | 0 | 0 | 0 | 0 | 117.8 | | |
| 209 | V | 30.6 | Very low | 32.7 | Very low | 118 Ų | 118 | 142 Ų | 142 | 72% | 0.715 | 79% | 0.788 | S | S | * | * | | | cis | 115.8 | 102.4 | 7.3 | 174.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 210 | T | 30 | Very low | 32.4 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | 67.1 | 151.1 | 161 | -32.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 211 | I | 31.3 | Very low | 32.3 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | | | cis | -128.8 | 159.1 | 23.1 | -61.3 | 152.4 | 0 | 0 | 0 | 110.3 | | |
| 212 | G | 29.3 | Very low | 32.3 | Very low | 75 Ų | 75 | 139.3 Ų | 139.3 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | -112.3 | 168.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 213 | G | 31.5 | Very low | 31.5 | Very low | 81 Ų | 81 | 139.3 Ų | 139.3 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | 147.1 | 98.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 214 | R | 32.2 | Very low | 31.2 | Very low | 243 Ų | 243 | 136.3 Ų | 136.3 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | | | trans | -22.7 | 147.2 | 156.7 | -62.1 | 174.6 | -164.6 | 179.9 | 2.9 | 115.5 | | |
| 215 | E | 29 | Very low | 30.6 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | | | cis | -170.4 | 156.5 | -4.8 | 178.3 | 171.3 | -178.9 | 0 | 0 | 108.5 | | |
| 216 | L | 27.9 | Very low | 30.8 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | | | trans | 166.8 | 158 | 148 | -91.8 | 165.4 | 0 | 0 | 0 | 110.9 | | |
| 217 | K | 29.3 | Very low | 30.7 | Very low | 194 Ų | 194 | 134 Ų | 134 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | | | trans | -158.1 | 163.6 | -177.8 | -97.8 | -172.8 | 177.3 | 178.6 | 0 | 109.4 | | |
| 218 | P | 49.9 | Very low | 30.9 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | | | cis | -132.6 | -148.9 | -30.2 | 37.6 | -18.8 | 0 | 0 | 0 | 111 | | |
| 219 | V | 27.7 | Very low | 30.9 | Very low | 123 Ų | 123 | 130.5 Ų | 130.5 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | | | trans | 110.4 | 125.4 | 158.2 | -177.6 | 0 | 0 | 0 | 0 | 117.2 | | |
| 220 | V | 28.4 | Very low | 30.8 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | | | trans | 62.6 | 143.7 | 167.6 | 167.6 | 0 | 0 | 0 | 0 | 117.6 | | |
| 221 | G | 26.8 | Very low | 30.8 | Very low | 64 Ų | 64 | 133.5 Ų | 133.5 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | | | cis | 161.8 | 119.3 | -15.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 222 | S | 30.7 | Very low | 30.9 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | | | trans | 75.9 | 156.8 | 152.6 | -143.2 | 0 | 0 | 0 | 0 | 122.8 | | |
| 223 | A | 29.8 | Very low | 31.1 | Very low | 102 Ų | 102 | 134 Ų | 134 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | | | trans | 62.9 | 137.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 224 | G | 27.6 | Very low | 31.1 | Very low | 67 Ų | 67 | 136.8 Ų | 136.8 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | | | cis | 163.2 | 156.4 | -13.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 225 | N | 32.3 | Very low | 31.1 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | | | trans | 65.2 | 153.3 | 164.6 | -70.8 | -9.3 | 0 | 0 | 0 | 118.4 | | |
| 226 | Q | 32.5 | Very low | 31.1 | Very low | 152 Ų | 152 | 131 Ų | 131 | 71% | 0.71 | 75% | 0.754 | S | S | * | * | | | cis | -153.9 | 141.9 | -4.6 | -109.4 | 165.6 | 47.6 | 0 | 0 | 107.1 | | |
| 227 | V | 31.6 | Very low | 31.2 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | | 68.9 | 126.9 | 76.9 | 167.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 228 | T | 30.7 | Very low | 31.2 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | | | cis | -165.8 | -178.1 | -3.1 | 25.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 229 | T | 29.7 | Very low | 30.2 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | | | trans | 77.8 | 151.7 | 157.1 | 65.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 230 | L | 29.2 | Very low | 30.5 | Very low | 135 Ų | 135 | 128.9 Ų | 128.9 | 71% | 0.707 | 75% | 0.745 | S | S | * | * | | | cis | -161.3 | 168.5 | -15.3 | -107.8 | 170.1 | 0 | 0 | 0 | 111.9 | | |
| 231 | Q | 29.8 | Very low | 31.4 | Very low | 174 Ų | 174 | 127.5 Ų | 127.5 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | | | trans | 7.9 | 157.8 | 151.3 | -74.5 | 167.9 | -14 | 0 | 0 | 122.7 | | |
| 232 | A | 32.4 | Very low | 31.7 | Very low | 78 Ų | 78 | 134 Ų | 134 | 65% | 0.645 | 75% | 0.749 | S | S | * | * | | | cis | -172 | 177.7 | -10.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 233 | Q | 33.3 | Very low | 31.5 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | | | trans | 18.2 | 150.1 | 143.9 | -63.9 | -173.4 | 30.5 | 0 | 0 | 121.4 | | |
| 234 | Q | 31.8 | Very low | 31.5 | Very low | 140 Ų | 140 | 139 Ų | 139 | 65% | 0.654 | 75% | 0.746 | S | S | * | * | | | cis | -167 | 164 | 13 | -130.3 | -170.4 | 76.8 | 0 | 0 | 113.5 | | |
| 235 | L | 31.7 | Very low | 32.1 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 62% | 0.618 | 75% | 0.749 | S | S | * | * | | | trans | 53.8 | 117.4 | 144.9 | -108.3 | 65.6 | 0 | 0 | 0 | 125.4 | | |
| 236 | K | 30.9 | Very low | 31.8 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | | | | 74.2 | 130.4 | 121.1 | -89.4 | -179.5 | -163 | 170.5 | 0 | 125 | | |
| 237 | T | 29.6 | Very low | 31.6 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | | | | 100.1 | 110.2 | 121.5 | -71.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 238 | V | 28.6 | Very low | 31.6 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | | | trans | 102 | 129.7 | 133 | 139.9 | 0 | 0 | 0 | 0 | 124.8 | | |
| 239 | Q | 28.1 | Very low | 31.5 | Very low | 167 Ų | 167 | 136.8 Ų | 136.8 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | | | trans | 62.3 | 108.5 | 150.3 | -67.6 | 166.7 | 30.4 | 0 | 0 | 125.2 | | |
| 240 | I | 35.7 | Very low | 31.9 | Very low | 157 Ų | 157 | 135 Ų | 135 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | | | | -14.7 | 144.1 | 129.2 | -7.2 | 172.8 | 0 | 0 | 0 | 114.6 | | |
| 241 | P | 47 | Very low | 33.2 | Very low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | | | cis | -155.4 | 150.8 | 45.2 | 42.2 | -19.7 | 0 | 0 | 0 | 122.8 | | |
| 242 | K | 33.1 | Very low | 33.3 | Very low | 200 Ų | 200 | 133.1 Ų | 133.1 | 87% | 0.87 | 75% | 0.754 | S | S | * | * | | | trans | 48.3 | 108.6 | 133.3 | -170.3 | -177.3 | 179.8 | 178.7 | 0 | 121.4 | | |
| 243 | K | 26.9 | Very low | 33 | Very low | 210 Ų | 210 | 138.2 Ų | 138.2 | 91% | 0.913 | 76% | 0.762 | S | S | * | * | | | trans | -163.7 | 150.5 | 137.4 | -118.4 | 177.3 | -176.7 | 178.8 | 0 | 114.1 | | |
| 244 | T | 29 | Very low | 32.9 | Very low | 127 Ų | 127 | 139 Ų | 139 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | | | trans | -101.1 | 158.8 | 163.6 | -8.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 245 | P | 40.9 | Very low | 32.8 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | | | | -153.8 | -177.2 | 78.5 | 42.1 | -21.9 | 0 | 0 | 0 | 117 | | |
| 246 | A | 25.7 | Very low | 32.9 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | | | trans | 18.1 | 155.6 | 143.2 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 247 | S | 28.3 | Very low | 32.8 | Very low | 99 Ų | 99 | 138 Ų | 138 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | | | cis | -178.2 | 153.4 | -13.6 | 171.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 248 | S | 30.6 | Very low | 32.9 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | trans | 63.6 | 152 | 160.9 | 34.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 249 | T | 29.8 | Very low | 32.9 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | | | cis | -141.6 | 165.4 | 33.9 | -55.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 250 | A | 38.1 | Very low | 33 | Very low | 87 Ų | 87 | 140.1 Ų | 140.1 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | | | trans | -102.5 | -155.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 251 | P | 56.5 | Low | 32.6 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | | | cis | -140.7 | -178.2 | 0.1 | 43.7 | -25.2 | 0 | 0 | 0 | 117 | | |
| 252 | I | 31.7 | Very low | 31.8 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | -177.3 | 131.6 | 131.1 | -95 | 156.8 | 0 | 0 | 0 | 112 | | |
| 253 | K | 26.1 | Very low | 31.6 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 81% | 0.809 | 78% | 0.782 | S | S | * | * | | | trans | 27.1 | 148.8 | 153.3 | -61.4 | 178.6 | -179.8 | 179.3 | 0 | 123.1 | | |
| 254 | F | 30.6 | Very low | 31.5 | Very low | 185 Ų | 185 | 133.5 Ų | 133.5 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | cis | -175.9 | 178.9 | -25.8 | -135.1 | -87.6 | 0 | 0 | 0 | 109.3 | | |
| 255 | I | 30.4 | Very low | 31.5 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | | | trans | 93 | 90.5 | 162.4 | -47.1 | -172.9 | 0 | 0 | 0 | 120.5 | | |
| 256 | I | 33.2 | Very low | 31.1 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | | 63.7 | 166.8 | 115.6 | -61.8 | 165.1 | 0 | 0 | 0 | 121.5 | | |
| 257 | T | 29.8 | Very low | 31.8 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | -135.1 | 158.4 | -151.5 | 54.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 258 | K | 31.1 | Very low | 31.7 | Very low | 188 Ų | 188 | 140.1 Ų | 140.1 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | | | trans | 39 | 152.5 | 142.9 | -59.3 | -177.6 | -179.5 | 177.8 | 0 | 120.1 | | |
| 259 | T | 28.6 | Very low | 31.4 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | cis | -168.9 | 177.3 | 41.7 | -24.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 260 | V | 29.4 | Very low | 31.2 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | | | trans | -28.2 | 142.5 | -179.9 | -75.4 | 0 | 0 | 0 | 0 | 125.2 | | |
| 261 | N | 28.4 | Very low | 30.7 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | | | | 66.5 | 128.4 | 126.7 | -173 | 48.1 | 0 | 0 | 0 | 123.3 | | |
| 262 | S | 29.9 | Very low | 29.3 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | | 166.6 | 166.9 | 126.7 | -75.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 263 | K | 28.2 | Very low | 30.1 | Very low | 215 Ų | 215 | 140 Ų | 140 | 94% | 0.935 | 79% | 0.786 | S | S | * | * | | | trans | -93.6 | 158.3 | -178.1 | -54.3 | 170.3 | 179.6 | 176.3 | 0 | 112.9 | | |
| 264 | G | 26 | Very low | 30.3 | Very low | 76 Ų | 76 | 137.2 Ų | 137.2 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | | | trans | 169.4 | 76.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 265 | L | 28.7 | Very low | 30.4 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | | | trans | 29.1 | 139.3 | 142.4 | -68 | 165.2 | 0 | 0 | 0 | 125.1 | | |
| 266 | S | 32.1 | Very low | 30.4 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | | | trans | 77.8 | 160.4 | 146.6 | 81.2 | 0 | 0 | 0 | 0 | 118.3 | | |
| 267 | P | 39.4 | Very low | 30.2 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | cis | -128.4 | -149.3 | 16.6 | 44.8 | -27.3 | 0 | 0 | 0 | 116.9 | | |
| 268 | Q | 26.6 | Very low | 30.3 | Very low | 171 Ų | 171 | 136.4 Ų | 136.4 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | | | trans | -62.9 | 176.3 | -166.8 | -62.8 | 167 | -39.4 | 0 | 0 | 115 | | |
| 269 | T | 25.4 | Very low | 30.1 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | | | cis | -172.1 | 152.4 | 42.3 | -28 | 0 | 0 | 0 | 0 | 115.9 | | |
| 270 | S | 25.8 | Very low | 30 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | | | trans | 77.2 | 151.9 | 135.8 | 64.4 | 0 | 0 | 0 | 0 | 126.3 | | |
| 271 | V | 26.6 | Very low | 29.9 | Very low | 141 Ų | 141 | 132.8 Ų | 132.8 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | trans | 75.3 | 137.5 | 154.3 | -85.5 | 0 | 0 | 0 | 0 | 125.2 | | |
| 272 | T | 27.8 | Very low | 30 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -110.8 | 166 | 161.6 | 50.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 273 | P | 48.4 | Very low | 29.8 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | | -144.4 | 143 | 105 | 31.7 | -13.4 | 0 | 0 | 0 | 115 | | |
| 274 | V | 29.9 | Very low | 29.7 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | | 71.7 | 141.5 | 86.2 | -161.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 275 | I | 33.5 | Very low | 30.5 | Very low | 163 Ų | 163 | 132 Ų | 132 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | 92.6 | 130.8 | 175.5 | -56 | 178.5 | 0 | 0 | 0 | 113 | | |
| 276 | A | 29.8 | Very low | 30.4 | Very low | 98 Ų | 98 | 129.7 Ų | 129.7 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | | | cis | -164.3 | -171.9 | -20 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 277 | G | 28.4 | Very low | 30.1 | Very low | 70 Ų | 70 | 132.6 Ų | 132.6 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | cis | 169.4 | 160.3 | -0.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 278 | R | 31.5 | Very low | 29.7 | Very low | 246 Ų | 246 | 131.6 Ų | 131.6 | 93% | 0.928 | 78% | 0.776 | S | S | * | * | | | trans | 64.8 | 124.4 | -172.8 | -86.6 | 179.1 | 166.2 | 145.5 | -2.8 | 115.7 | | |
| 279 | V | 26.9 | Very low | 30.9 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | cis | 100.4 | 142.8 | 21.3 | 179.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 280 | V | 26.9 | Very low | 31 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | trans | 104.5 | 140.4 | -173.7 | 177 | 0 | 0 | 0 | 0 | 113.1 | | |
| 281 | T | 28.1 | Very low | 31 | Very low | 106 Ų | 106 | 133 Ų | 133 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | | | | -165.6 | 153 | -75.2 | 27.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 282 | Q | 29.2 | Very low | 31.1 | Very low | 180 Ų | 180 | 133.1 Ų | 133.1 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | | | trans | 67.4 | 156.7 | 163 | -69.3 | 175.3 | -19.3 | 0 | 0 | 116.5 | | |
| 283 | T | 26.5 | Very low | 31 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | cis | -151.3 | 157.8 | -2.8 | -4 | 0 | 0 | 0 | 0 | 112 | | |
| 284 | S | 25.7 | Very low | 30 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | trans | -77.8 | -172.5 | 163.4 | -35.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 285 | P | 43.1 | Very low | 29.7 | Very low | 114 Ų | 114 | 134 Ų | 134 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | | | cis | -143.7 | -167.9 | -0.6 | 35.3 | -10.9 | 0 | 0 | 0 | 116.6 | | |
| 286 | V | 25.9 | Very low | 29.6 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | | | trans | 92.1 | 123.3 | 134.1 | 136.7 | 0 | 0 | 0 | 0 | 123.1 | | |
| 287 | M | 27.1 | Very low | 30.4 | Very low | 173 Ų | 173 | 133.4 Ų | 133.4 | 85% | 0.852 | 76% | 0.759 | S | S | * | * | | | trans | 77.1 | 162.4 | 147 | -73 | 176.3 | 67.2 | 0 | 0 | 124.4 | | |
| 288 | S | 29.6 | Very low | 30.8 | Very low | 99 Ų | 99 | 137 Ų | 137 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | | | trans | -146.2 | -161.1 | -176.1 | 65.8 | 0 | 0 | 0 | 0 | 107.1 | | |
| 289 | P | 52.6 | Low | 30.7 | Very low | 104 Ų | 104 | 131 Ų | 131 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | | | cis | -128.5 | -151.2 | -27.4 | 38.4 | -19.3 | 0 | 0 | 0 | 111.1 | | |
| 290 | K | 28.5 | Very low | 31.1 | Very low | 188 Ų | 188 | 130.3 Ų | 130.3 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | | | trans | 103.3 | 158.8 | 167.1 | -61.5 | 175.8 | -178.8 | 177.3 | 0 | 116.5 | | |
| 291 | T | 25 | Very low | 31.4 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | | | cis | 143.9 | 138.8 | -28.7 | -75.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 292 | I | 28.3 | Very low | 31.6 | Very low | 145 Ų | 145 | 131.4 Ų | 131.4 | 74% | 0.744 | 74% | 0.74 | S | S | * | * | | | trans | 95.6 | 101.6 | 157.2 | -91.6 | 166.3 | 0 | 0 | 0 | 122.1 | | |
| 293 | T | 25.5 | Very low | 31.7 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | | | | 56.2 | 142.9 | 129.3 | 67 | 0 | 0 | 0 | 0 | 128.6 | | |
| 294 | L | 27.2 | Very low | 31.8 | Very low | 159 Ų | 159 | 129.3 Ų | 129.3 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | | | trans | 75.1 | 124.2 | 131.5 | -80.4 | 165.1 | 0 | 0 | 0 | 123.4 | | |
| 295 | S | 25.4 | Very low | 32.3 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | | -173.1 | 143.8 | 110.5 | 59.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 296 | E | 30.5 | Very low | 31.8 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | | | trans | -93.4 | -172 | 167.8 | -136.4 | -165.4 | 104.4 | 0 | 0 | 109.7 | H298 | E296-H298 IonicContact OE1-CE1 3.61Å; E296-H298 PolarHBondContact OE1-N 2.91Å; E296-H298 IonicContact OE1-ND1 3.08Å; E296-H298 PolarHBondContact OE1-ND1 2.92Å; E296-H298 VanDerWaalsContact OE1-ND1 3.08Å |
| 297 | P | 47.1 | Very low | 32 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | | | cis | -153.3 | 156.3 | 45.8 | 41.9 | -19.4 | 0 | 0 | 0 | 120.5 | | |
| 298 | H | 35.5 | Very low | 32.6 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 68% | 0.676 | 74% | 0.742 | S | S | * | * | | | trans | 61.5 | 156.6 | 135.1 | -63.7 | -6.2 | 0 | 0 | 0 | 121.7 | E296 | E296-H298 IonicContact OE1-CE1 3.61Å; E296-H298 PolarHBondContact OE1-N 2.91Å; E296-H298 IonicContact OE1-ND1 3.08Å; E296-H298 PolarHBondContact OE1-ND1 2.92Å; E296-H298 VanDerWaalsContact OE1-ND1 3.08Å |
| 299 | N | 31.3 | Very low | 32.7 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 65% | 0.647 | 75% | 0.748 | S | S | * | * | | | cis | -149.7 | -167.2 | -3.1 | -128.6 | -35.8 | 0 | 0 | 0 | 107.7 | | |
| 300 | T | 34.4 | Very low | 31.7 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 69% | 0.693 | 75% | 0.754 | S | S | * | * | | | cis | -167.4 | 161.7 | 5 | 4 | 0 | 0 | 0 | 0 | 103.5 | | |
| 301 | T | 32.1 | Very low | 31.7 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | | | cis | -168.4 | -166.7 | -29.5 | 33.4 | 0 | 0 | 0 | 0 | 103.3 | | |
| 302 | I | 33.1 | Very low | 31.9 | Very low | 144 Ų | 144 | 134.8 Ų | 134.8 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | | | cis | -158.5 | 167.3 | 1.7 | -144 | -170.6 | 0 | 0 | 0 | 104.7 | | |
| 303 | Q | 31.6 | Very low | 32 | Very low | 145 Ų | 145 | 133 Ų | 133 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | cis | -153.8 | 157.5 | -3 | -162.6 | -164 | 110 | 0 | 0 | 107.4 | | |
| 304 | S | 28.8 | Very low | 32.6 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | | | trans | -158.5 | 164.7 | 155.3 | -168.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 305 | I | 36.2 | Very low | 32.6 | Very low | 148 Ų | 148 | 134.1 Ų | 134.1 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | trans | -126.1 | 173.9 | -166.3 | -15.1 | 179.9 | 0 | 0 | 0 | 113.4 | | |
| 306 | S | 32.1 | Very low | 32.8 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | | | trans | -93.8 | 153 | -153.6 | -175.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 307 | G | 30.4 | Very low | 32.7 | Very low | 76 Ų | 76 | 137.1 Ų | 137.1 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | | | trans | -174.6 | 124.3 | 163 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 308 | K | 40.4 | Very low | 32.1 | Very low | 205 Ų | 205 | 138.3 Ų | 138.3 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | | | trans | -120.4 | 130.1 | 179.2 | -66.6 | 179.7 | 179.8 | 177.6 | 0 | 111.8 | | |
| 309 | K | 30.6 | Very low | 31.9 | Very low | 187 Ų | 187 | 137 Ų | 137 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | trans | -162.4 | 104.9 | 152.1 | -158.6 | 173.1 | -179.3 | -178.4 | 0 | 116.3 | | |
| 310 | I | 32.2 | Very low | 31.7 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | | | trans | 62.6 | 151.5 | 143.3 | -57.4 | 175.1 | 0 | 0 | 0 | 118.7 | | |
| 311 | A | 28 | Very low | 31.5 | Very low | 85 Ų | 85 | 140.5 Ų | 140.5 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | | | trans | -113.7 | 171.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 312 | I | 29.7 | Very low | 31.3 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | | | trans | -142.5 | 149.9 | 156.9 | -90 | 144 | 0 | 0 | 0 | 107.8 | | |
| 313 | S | 30.5 | Very low | 31 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | -121.7 | 154.1 | 169.1 | -83.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 314 | P | 38.1 | Very low | 30.8 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | -81.7 | 155.8 | -161.5 | 32.4 | -37.1 | 0 | 0 | 0 | 114.2 | | |
| 315 | L | 27.6 | Very low | 30.6 | Very low | 164 Ų | 164 | 132 Ų | 132 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | | | trans | -130.5 | 154 | 171 | -163.7 | 61 | 0 | 0 | 0 | 112.4 | | |
| 316 | K | 29.3 | Very low | 30.1 | Very low | 191 Ų | 191 | 131.3 Ų | 131.3 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | | | trans | -68.5 | 154.5 | -167.4 | -58.1 | 158.7 | -179.7 | 173.9 | 0 | 114.2 | | |
| 317 | T | 28.6 | Very low | 29.8 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | | | trans | -108 | 156.2 | 158.1 | 46.1 | 0 | 0 | 0 | 0 | 111 | | |
| 318 | P | 33.7 | Very low | 29.6 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | | | trans | -96.6 | -178.4 | -165.7 | 38.4 | -37.4 | 0 | 0 | 0 | 114.8 | | |
| 319 | S | 30.5 | Very low | 29.2 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | | | trans | -132.3 | 150.3 | 176.7 | -77 | 0 | 0 | 0 | 0 | 114 | | |
| 320 | K | 29.1 | Very low | 29.6 | Very low | 176 Ų | 176 | 124.3 Ų | 124.3 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | | | trans | -6.6 | 141.9 | 162.6 | -157.8 | 176.9 | -176.1 | -174.7 | 0 | 119.9 | | |
| 321 | V | 28.6 | Very low | 29.1 | Very low | 131 Ų | 131 | 122.3 Ų | 122.3 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | | | trans | -125.9 | 164.2 | 168 | -179.7 | 0 | 0 | 0 | 0 | 110 | | |
| 322 | T | 27.7 | Very low | 28.9 | Very low | 43 Ų | 43 | 125.5 Ų | 125.5 | 26% | 0.264 | 76% | 0.757 | S | S | . | * | | | trans | -170 | 145.1 | -159.2 | -83.5 | 0 | 0 | 0 | 0 | 107.1 | I22 E23 | I22-T322 HydrophobicContact CB-CG2 3.9Å; I22-T322 HydrophobicContact CG2-CG2 3.7Å; I22-T322 WeakPolarHBondContact O-CG2 3.32Å; E23-T322 HydrophobicContact CB-CG2 4.19Å; E23-T322 HydrophobicContact CG-CG2 3.62Å |
| 323 | V | 28.3 | Very low | 28.7 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 64% | 0.642 | 75% | 0.748 | S | S | * | * | | | trans | -139.5 | 129.1 | -163.3 | -178.3 | 0 | 0 | 0 | 0 | 116.9 | I22 E23 | I22-V323 CarbonylContact O-C 3.43Å; I22-V323 PolarHBondContact O-N 3.01Å; E23-V323 VanDerWaalsContact CB-C 3.47Å; E23-V323 VanDerWaalsContact CG-C 3.46Å; E23-V323 WeakPolarHBondContact OE1-CA 3.27Å |
| 324 | V | 26.3 | Very low | 28.5 | Very low | 79 Ų | 79 | 122.1 Ų | 122.1 | 48% | 0.479 | 74% | 0.744 | S | S | . | * | | | trans | -69.7 | 162.1 | -169.5 | 93.8 | 0 | 0 | 0 | 0 | 117.7 | E23 V326 | E23-V324 HydrophobicContact CB-CB 4.26Å; E23-V324 HydrophobicContact CB-CG2 4.31Å; E23-V324 VanDerWaalsContact CD-CA 3.46Å; E23-V324 HydrophobicContact CG-CB 4.31Å; E23-V324 WeakPolarHBondContact OE1-CA 3.41Å; E23-V324 WeakPolarHBondContact OE1-CB 3.28Å; E23-V324 PolarHBondContact OE1-N 3.25Å; E23-V324 WeakPolarHBondContact OE2-CB 3.4Å; E23-V324 WeakPolarHBondContact OE2-CG2 3.36Å; V324-V326 HydrophobicContact CG1-CG2 4.46Å |
| 325 | S | 24.5 | Very low | 28 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 84% | 0.839 | 74% | 0.743 | S | S | * | * | | | trans | -147.1 | 149.1 | 152.3 | -78.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 326 | V | 26.5 | Very low | 27.9 | Very low | 133 Ų | 133 | 124.9 Ų | 124.9 | 81% | 0.806 | 74% | 0.739 | S | S | * | * | | | trans | -131.5 | 143.5 | -176.9 | -156.5 | 0 | 0 | 0 | 0 | 109.8 | V324 | V324-V326 HydrophobicContact CG1-CG2 4.46Š|
| 327 | A | 25.8 | Very low | 27.6 | Very low | 91 Ų | 91 | 119.8 Ų | 119.8 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | | | trans | -76.1 | 176.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 328 | S | 26.7 | Very low | 27.3 | Very low | 107 Ų | 107 | 120 Ų | 120 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | | | cis | -161.3 | -174.4 | 19.5 | -135.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 329 | P | 31.8 | Very low | 26.8 | Very low | 121 Ų | 121 | 118.5 Ų | 118.5 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | | | cis | -145.5 | -176.8 | 38.3 | 42 | -20.2 | 0 | 0 | 0 | 116.9 | | |
| 330 | P | 38 | Very low | 26.6 | Very low | 118 Ų | 118 | 120.5 Ų | 120.5 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | | | trans | -116.3 | 161.9 | 179.3 | 40.3 | -31.5 | 0 | 0 | 0 | 115.8 | | |
| 331 | S | 23 | Very low | 27.2 | Very low | 117 Ų | 117 | 118 Ų | 118 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | | | trans | -151 | 109.4 | 167.2 | 49.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 332 | N | 23.4 | Very low | 27 | Very low | 153 Ų | 153 | 117.1 Ų | 117.1 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | | | trans | 73.9 | 146.3 | 141.8 | -119.4 | -8.5 | 0 | 0 | 0 | 125.1 | | |
| 333 | T | 25.5 | Very low | 27 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | | | trans | 70.4 | 107.5 | 151.1 | 45.1 | 0 | 0 | 0 | 0 | 124.5 | | |
| 334 | S | 25.4 | Very low | 27.1 | Very low | 97 Ų | 97 | 123.2 Ų | 123.2 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | | 92.3 | 118.8 | 113.7 | -64.6 | 0 | 0 | 0 | 0 | 124.6 | | |
| 335 | Q | 27.8 | Very low | 27.3 | Very low | 171 Ų | 171 | 123.7 Ų | 123.7 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | | | trans | 85.6 | 110.6 | 130.5 | -72.2 | -165.8 | 45.9 | 0 | 0 | 124.4 | | |
| 336 | K | 24.7 | Very low | 27.4 | Very low | 177 Ų | 177 | 126.5 Ų | 126.5 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | | | | 80.6 | 110.5 | 110.3 | -143.5 | -150.2 | 177.9 | -176.9 | 0 | 122.3 | | |
| 337 | S | 22.9 | Very low | 27.5 | Very low | 83 Ų | 83 | 123.4 Ų | 123.4 | 58% | 0.58 | 77% | 0.767 | S | S | * | * | | | trans | 67.1 | 122 | 132.3 | 69.4 | 0 | 0 | 0 | 0 | 125.5 | | |
| 338 | V | 22.9 | Very low | 28 | Very low | 141 Ų | 141 | 128.5 Ų | 128.5 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | | | | 82.7 | 138.5 | 119.8 | 169.9 | 0 | 0 | 0 | 0 | 122.3 | | |
| 339 | A | 23.6 | Very low | 28.2 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | trans | 92.5 | 151.1 | 154.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 340 | L | 26.8 | Very low | 28.2 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -92.6 | 156.6 | -178.1 | -70.3 | 156.7 | 0 | 0 | 0 | 112.2 | | |
| 341 | P | 40.2 | Very low | 27.9 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | | | | -146.4 | -170.9 | 105 | 32.5 | -13.3 | 0 | 0 | 0 | 114.1 | | |
| 342 | V | 26.3 | Very low | 28.2 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | | | | -167.8 | 143.7 | -67.8 | 133.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 343 | N | 26.1 | Very low | 28.5 | Very low | 149 Ų | 149 | 135.6 Ų | 135.6 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | | | trans | 64.5 | 165.2 | 175 | -64.3 | -16 | 0 | 0 | 0 | 116.4 | | |
| 344 | V | 30.9 | Very low | 28.7 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | cis | -135.6 | 131.6 | 19.3 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 345 | A | 29.7 | Very low | 28.9 | Very low | 89 Ų | 89 | 143.3 Ų | 143.3 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | | | | 50.1 | 147.7 | 89.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 346 | L | 27.2 | Very low | 29 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 94% | 0.942 | 81% | 0.807 | S | S | * | * | | | cis | -163 | 153.7 | -2.4 | 177.1 | 65.1 | 0 | 0 | 0 | 108.5 | | |
| 347 | G | 29.3 | Very low | 29.3 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | | | trans | 152.6 | 116.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 348 | Q | 36.8 | Very low | 30.3 | Very low | 198 Ų | 198 | 138.5 Ų | 138.5 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | | | trans | -140.8 | 151.8 | 169.5 | -69.9 | -179.2 | -9.5 | 0 | 0 | 109.7 | | |
| 349 | Q | 30.9 | Very low | 30.6 | Very low | 189 Ų | 189 | 136.1 Ų | 136.1 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | | | trans | -146.7 | 127.9 | 167.2 | -79.8 | -172 | -24 | 0 | 0 | 111.3 | | |
| 350 | I | 31.4 | Very low | 31.1 | Very low | 170 Ų | 170 | 137 Ų | 137 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | | | trans | -142.9 | 147.4 | 163.1 | -64.6 | -174.1 | 0 | 0 | 0 | 107.7 | | |
| 351 | L | 30.7 | Very low | 32.4 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | | | trans | -90.4 | 139.5 | -177.8 | -88.6 | 59.1 | 0 | 0 | 0 | 113.6 | | |
| 352 | A | 30.3 | Very low | 31.9 | Very low | 91 Ų | 91 | 135 Ų | 135 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | | | trans | -157.1 | 113.8 | 145.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 353 | V | 30.2 | Very low | 32.1 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 92% | 0.915 | 82% | 0.817 | S | S | * | * | | | | 73.6 | 135 | 72.7 | 177 | 0 | 0 | 0 | 0 | 112.5 | | |
| 354 | Q | 28.3 | Very low | 32.1 | Very low | 172 Ų | 172 | 138.3 Ų | 138.3 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | trans | -132.1 | 140 | -154.5 | 172.1 | -174.9 | 2.7 | 0 | 0 | 111.3 | | |
| 355 | Q | 30.4 | Very low | 32.1 | Very low | 197 Ų | 197 | 136.1 Ų | 136.1 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | | | trans | -153.7 | 162.7 | 160.9 | -109.7 | 164.5 | 18.4 | 0 | 0 | 110.2 | | |
| 356 | S | 29.6 | Very low | 32.2 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | | | trans | -154.4 | 177.9 | -152.7 | 56.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 357 | A | 31.6 | Very low | 32.4 | Very low | 92 Ų | 92 | 134 Ų | 134 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | | | trans | 82.9 | 162.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 358 | P | 43.8 | Very low | 32.6 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | | | | -130.1 | -174.3 | -58.2 | 38 | -24.8 | 0 | 0 | 0 | 112.8 | | |
| 359 | A | 29.3 | Very low | 32.5 | Very low | 91 Ų | 91 | 136.9 Ų | 136.9 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | | | trans | -119.4 | 174.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 360 | S | 33.2 | Very low | 33.7 | Very low | 115 Ų | 115 | 134 Ų | 134 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | 107.2 | 163.6 | 165.7 | -46.8 | 0 | 0 | 0 | 0 | 116.5 | | |
| 361 | P | 53.7 | Low | 33.9 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | | | | -144.4 | 151.7 | -54 | 40.5 | -24.4 | 0 | 0 | 0 | 117.9 | | |
| 362 | V | 30.2 | Very low | 34.1 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | | | trans | 73.3 | 148.8 | 136.1 | 168.3 | 0 | 0 | 0 | 0 | 123.4 | | |
| 363 | K | 31.1 | Very low | 34.1 | Very low | 195 Ų | 195 | 131.6 Ų | 131.6 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | | | trans | 79.4 | 149.9 | 168.5 | -90.1 | 171.3 | -179.8 | 178.5 | 0 | 116.7 | | |
| 364 | V | 26.4 | Very low | 34.3 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | | | cis | -132.1 | 169.1 | 17.3 | -178.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 365 | A | 30.1 | Very low | 34.2 | Very low | 82 Ų | 82 | 132.3 Ų | 132.3 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | trans | -75.6 | 178.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 366 | T | 32 | Very low | 35.7 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | | | cis | -157.7 | -175.8 | 33.7 | -34.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 367 | S | 30.6 | Very low | 35.7 | Very low | 99 Ų | 99 | 129.6 Ų | 129.6 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | | | cis | -168.8 | 174.8 | 32.8 | -41 | 0 | 0 | 0 | 0 | 114.4 | | |
| 368 | Q | 33.7 | Very low | 35.7 | Very low | 190 Ų | 190 | 133.5 Ų | 133.5 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | | | trans | 76.8 | 149.9 | 157.9 | -68.1 | -178.2 | 7.8 | 0 | 0 | 120.7 | | |
| 369 | T | 36.1 | Very low | 35.2 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | -159.8 | -176.8 | -160.6 | 39.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 370 | P | 54.9 | Low | 35.2 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | | | cis | -103.4 | -156.9 | -8.9 | 39.9 | -27 | 0 | 0 | 0 | 110.6 | | |
| 371 | A | 35.8 | Very low | 35.1 | Very low | 83 Ų | 83 | 132.7 Ų | 132.7 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | | | cis | -155.8 | -167.8 | 4.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 372 | Q | 34.6 | Very low | 34 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | | | cis | -171 | 162 | -24.1 | -122.8 | -162 | 90.9 | 0 | 0 | 103.5 | | |
| 373 | N | 30.8 | Very low | 33.8 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 64% | 0.642 | 78% | 0.778 | S | S | * | * | | | cis | -161.9 | -177.3 | -12.3 | -145.5 | -2.3 | 0 | 0 | 0 | 104.4 | | |
| 374 | I | 33.2 | Very low | 33.8 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | | | cis | -133.9 | -142.6 | 4.4 | -31.9 | 165.1 | 0 | 0 | 0 | 108.6 | | |
| 375 | K | 26.6 | Very low | 34 | Very low | 192 Ų | 192 | 127 Ų | 127 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | | | trans | -156.4 | -164.2 | -178.3 | -77.3 | -167.1 | 176.6 | 179.3 | 0 | 108.8 | | |
| 376 | P | 62.9 | Low | 34.1 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | | -129.4 | -159.8 | -70.5 | 40.1 | -23.7 | 0 | 0 | 0 | 111.4 | | |
| 377 | V | 29.1 | Very low | 34.2 | Very low | 135 Ų | 135 | 124.8 Ų | 124.8 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | | 168.8 | 166.7 | 127.5 | 156.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 378 | Q | 32.3 | Very low | 34.4 | Very low | 174 Ų | 174 | 124.7 Ų | 124.7 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | -119.9 | -176.7 | -169.6 | -55.1 | 166.4 | -76.8 | 0 | 0 | 113.4 | | |
| 379 | S | 33.2 | Very low | 34.4 | Very low | 107 Ų | 107 | 122.1 Ų | 122.1 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | 82.5 | 156.4 | 146.8 | -62.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 380 | V | 29.2 | Very low | 34.2 | Very low | 130 Ų | 130 | 123.6 Ų | 123.6 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | | | cis | -171.7 | 166.1 | -29.4 | 70.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 381 | A | 31.5 | Very low | 33 | Very low | 84 Ų | 84 | 126.2 Ų | 126.2 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | | | trans | 68.7 | 170.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 382 | V | 30.3 | Very low | 32.8 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 90% | 0.903 | 77% | 0.772 | S | S | * | * | | | cis | -165.3 | 153.3 | -28.4 | 139.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 383 | G | 26.1 | Very low | 32.6 | Very low | 74 Ų | 74 | 127.2 Ų | 127.2 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | | | trans | 129.4 | 156.7 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 384 | G | 29.6 | Very low | 33 | Very low | 75 Ų | 75 | 129 Ų | 129 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | -101 | -163.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 385 | V | 32.2 | Very low | 33.1 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | | | cis | -161.9 | 164.6 | 19.6 | -80.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 386 | G | 31.5 | Very low | 33.1 | Very low | 77 Ų | 77 | 126.9 Ų | 126.9 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | trans | 134.4 | 84.6 | 142.4 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 387 | G | 33.1 | Very low | 31.5 | Very low | 84 Ų | 84 | 125.1 Ų | 125.1 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | | | trans | 71.5 | 166.9 | 150.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 388 | S | 35.6 | Very low | 31.4 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | | | cis | -167.4 | 141.3 | -19.4 | -162.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 389 | Q | 34.3 | Very low | 31.3 | Very low | 136 Ų | 136 | 125.8 Ų | 125.8 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | | 178.8 | 159 | 77.7 | -87.1 | -64.2 | 1 | 0 | 0 | 111.8 | | |
| 390 | F | 30.6 | Very low | 31.7 | Very low | 167 Ų | 167 | 125.7 Ų | 125.7 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | | | trans | 39.5 | 128.6 | 164.4 | -53.4 | -62.2 | 0 | 0 | 0 | 121.7 | | |
| 391 | K | 30.1 | Very low | 31.6 | Very low | 183 Ų | 183 | 126.7 Ų | 126.7 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | | | cis | 90.1 | 134.3 | 27 | -174 | -165.9 | 177.1 | -174.9 | 0 | 114.8 | | |
| 392 | T | 32.6 | Very low | 31.5 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | | | cis | -177 | 150.3 | -23 | -77.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 393 | I | 29.3 | Very low | 31.4 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | 156.2 | 147.4 | 146.1 | -81 | 160.1 | 0 | 0 | 0 | 112.2 | | |
| 394 | I | 39.8 | Very low | 31.5 | Very low | 159 Ų | 159 | 132.6 Ų | 132.6 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | | | trans | -128.5 | 149.8 | 170.2 | -41.4 | 173.3 | 0 | 0 | 0 | 107.5 | | |
| 395 | P | 34.9 | Very low | 31.6 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | | | | -141 | 170.2 | 125.7 | 37.1 | -23.6 | 0 | 0 | 0 | 116 | | |
| 396 | L | 27.1 | Very low | 31.4 | Very low | 170 Ų | 170 | 136 Ų | 136 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | | | trans | -84.2 | 153.6 | -175.2 | -175.3 | 72.6 | 0 | 0 | 0 | 112.8 | | |
| 397 | A | 28.5 | Very low | 31.4 | Very low | 76 Ų | 76 | 139.3 Ų | 139.3 | 63% | 0.628 | 77% | 0.767 | S | S | * | * | | | | 143.8 | 152.3 | 127.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 398 | T | 28.1 | Very low | 31.2 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | | | trans | 73.4 | 133.1 | 147.8 | 34.9 | 0 | 0 | 0 | 0 | 124.1 | | |
| 399 | Q | 29.8 | Very low | 31 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | | | trans | -88.2 | -175.4 | 159.1 | -78.5 | -109.5 | 36.8 | 0 | 0 | 110.4 | | |
| 400 | P | 41.9 | Very low | 31.2 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | | | cis | -135.6 | -165.2 | -12.7 | 26.6 | -1.7 | 0 | 0 | 0 | 114.5 | | |
| 401 | N | 26.2 | Very low | 31.2 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | | | trans | 107.7 | 167.7 | 139.2 | -131.1 | -43.3 | 0 | 0 | 0 | 119.9 | | |
| 402 | V | 29.6 | Very low | 31.4 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 70% | 0.703 | 78% | 0.775 | S | S | * | * | | | trans | -118.6 | 145.6 | -142.7 | 172.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 403 | Q | 28.2 | Very low | 31.2 | Very low | 172 Ų | 172 | 143.8 Ų | 143.8 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -179 | 127.4 | 133.6 | -97.1 | 168.4 | 21.7 | 0 | 0 | 108.6 | | |
| 404 | Q | 27.6 | Very low | 31.1 | Very low | 142 Ų | 142 | 146.3 Ų | 146.3 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | | | | 95.7 | 108.8 | 52.8 | -174.1 | -175.9 | 5.1 | 0 | 0 | 112.3 | | |
| 405 | I | 31.7 | Very low | 30.6 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 89% | 0.892 | 78% | 0.781 | S | S | * | * | | | trans | -131.9 | 143.3 | 157.9 | -67 | -174.8 | 0 | 0 | 0 | 108.9 | | |
| 406 | Q | 28.1 | Very low | 30.1 | Very low | 129 Ų | 129 | 150.1 Ų | 150.1 | 60% | 0.603 | 79% | 0.785 | S | S | * | * | | | trans | -101.6 | 143.8 | -168.2 | -175.4 | 87.6 | 8.4 | 0 | 0 | 112 | P408 | Q406-P408 HydrophobicContact CG-CG 4.2Š|
| 407 | V | 31.8 | Very low | 30.2 | Very low | 146 Ų | 146 | 148.7 Ų | 148.7 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | | | trans | -136.1 | 112 | 151.6 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 408 | P | 30.1 | Very low | 30.1 | Very low | 102 Ų | 102 | 151.6 Ų | 151.6 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | | | trans | -103.9 | 145.5 | -179.9 | 35.2 | -25.7 | 0 | 0 | 0 | 112.9 | Q406 | Q406-P408 HydrophobicContact CG-CG 4.2Š|
| 409 | G | 31.1 | Very low | 29.9 | Very low | 84 Ų | 84 | 151 Ų | 151 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | | | trans | 172.5 | 53.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 410 | S | 39.1 | Very low | 29.6 | Very low | 100 Ų | 100 | 146.7 Ų | 146.7 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | trans | -86.9 | 145.6 | -179.4 | -179.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 411 | R | 29.3 | Very low | 28.9 | Very low | 221 Ų | 221 | 147.8 Ų | 147.8 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | | 171.7 | 131.8 | 116.2 | -89.7 | 168 | -57.8 | -178 | 12.4 | 113.2 | | |
| 412 | F | 34.6 | Very low | 28.9 | Very low | 186 Ų | 186 | 147.5 Ų | 147.5 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | | | trans | -87.3 | 157.4 | 159.4 | -65.3 | -95.8 | 0 | 0 | 0 | 110.5 | | |
| 413 | H | 28.4 | Very low | 28.7 | Very low | 184 Ų | 184 | 146.5 Ų | 146.5 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | | | trans | -154 | 158.7 | 152.5 | -88.7 | 97.7 | 0 | 0 | 0 | 109.6 | | |
| 414 | Y | 27.4 | Very low | 28.5 | Very low | 212 Ų | 212 | 144.3 Ų | 144.3 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | | | trans | -123.4 | 154.6 | -172 | -97 | -83.2 | 0 | 0 | 0 | 112.6 | | |
| 415 | V | 28.7 | Very low | 28.5 | Very low | 127 Ų | 127 | 142 Ų | 142 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | | | trans | 56.6 | 129.1 | 165.1 | -133.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 416 | R | 25.5 | Very low | 28.4 | Very low | 232 Ų | 232 | 138.8 Ų | 138.8 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | | | | -171.1 | 136.4 | 118.3 | -176.6 | 154.5 | -178.8 | 161.2 | -0 | 111.6 | | |
| 417 | L | 27.7 | Very low | 28.3 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | | | trans | -84.8 | 160.7 | 170.3 | -78.6 | 65.4 | 0 | 0 | 0 | 111.2 | | |
| 418 | V | 27.7 | Very low | 28.2 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | | | | -178.5 | 157.1 | 121.9 | 147.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 419 | T | 23.4 | Very low | 28.7 | Very low | 132 Ų | 132 | 139 Ų | 139 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | | | trans | -89.3 | 167.3 | -177.5 | 42.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 420 | A | 24.5 | Very low | 28.5 | Very low | 86 Ų | 86 | 140 Ų | 140 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | | 153 | 124.8 | 116 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 421 | T | 25.8 | Very low | 28 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | | | trans | 36 | 130.3 | 142.5 | 52.4 | 0 | 0 | 0 | 0 | 124.7 | | |
| 422 | T | 25.7 | Very low | 28.7 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | | | | 180 | 154.1 | 122.5 | 28.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 423 | A | 25.9 | Very low | 28.2 | Very low | 96 Ų | 96 | 132.7 Ų | 132.7 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | | | cis | -155.6 | 172.4 | -20.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 424 | S | 25.5 | Very low | 28.2 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | | | trans | -104.4 | 143.7 | -166.7 | -49.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 425 | A | 27.6 | Very low | 28.3 | Very low | 93 Ų | 93 | 125 Ų | 125 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -159.3 | 128.9 | 146.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 426 | A | 28.2 | Very low | 28.3 | Very low | 106 Ų | 106 | 124 Ų | 124 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | | | cis | 71 | 123.3 | 45.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 427 | G | 25.8 | Very low | 28.4 | Very low | 75 Ų | 75 | 119.8 Ų | 119.8 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | cis | 163.4 | 168.6 | -5.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 428 | Q | 29.9 | Very low | 28.5 | Very low | 197 Ų | 197 | 116.9 Ų | 116.9 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | | | trans | -156.7 | 153.3 | 165.8 | -88 | -146.8 | -23.8 | 0 | 0 | 113.4 | | |
| 429 | P | 40.6 | Very low | 28.7 | Very low | 110 Ų | 110 | 117.3 Ų | 117.3 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | | | trans | -123.2 | 153.3 | -179.2 | 42.1 | -30.4 | 0 | 0 | 0 | 117.4 | | |
| 430 | S | 27.6 | Very low | 29 | Very low | 104 Ų | 104 | 114.8 Ų | 114.8 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | 53.6 | 108 | 142.5 | 63 | 0 | 0 | 0 | 0 | 123.8 | | |
| 431 | A | 28.6 | Very low | 29.4 | Very low | 96 Ų | 96 | 120.5 Ų | 120.5 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | | | | 60.9 | 166.1 | 117.9 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 432 | P | 42.7 | Very low | 30.7 | Very low | 111 Ų | 111 | 119.3 Ų | 119.3 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | | | cis | -131 | 175.7 | -23.1 | 31.6 | -11.3 | 0 | 0 | 0 | 115.4 | | |
| 433 | N | 26 | Very low | 30.9 | Very low | 148 Ų | 148 | 119.9 Ų | 119.9 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | 30.2 | 127.7 | 151.4 | -57.3 | -7.6 | 0 | 0 | 0 | 122.4 | | |
| 434 | T | 27.6 | Very low | 31.4 | Very low | 134 Ų | 134 | 121.4 Ų | 121.4 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | | 177.1 | 150.9 | 106.3 | 38.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 435 | S | 29 | Very low | 31.7 | Very low | 100 Ų | 100 | 121.2 Ų | 121.2 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | trans | 55.7 | 149.8 | 144.7 | 57.9 | 0 | 0 | 0 | 0 | 125.3 | | |
| 436 | S | 29.5 | Very low | 31.9 | Very low | 105 Ų | 105 | 123.6 Ų | 123.6 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | 65.8 | 125.5 | 158.3 | 38.2 | 0 | 0 | 0 | 0 | 118.3 | | |
| 437 | V | 27.4 | Very low | 32.1 | Very low | 145 Ų | 145 | 124.6 Ų | 124.6 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | | | cis | 106.9 | 151.9 | 43.5 | 157.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 438 | A | 29.9 | Very low | 32.3 | Very low | 80 Ų | 80 | 124.7 Ų | 124.7 | 66% | 0.661 | 78% | 0.782 | S | S | * | * | | | trans | 82.6 | 94.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 439 | T | 31 | Very low | 32.4 | Very low | 145 Ų | 145 | 119.8 Ų | 119.8 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | | | | 36.2 | 124.5 | 124.6 | 54.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 440 | G | 30.6 | Very low | 31.8 | Very low | 79 Ų | 79 | 120.3 Ų | 120.3 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | | | trans | 179.4 | 109.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 441 | K | 33.4 | Very low | 32.1 | Very low | 207 Ų | 207 | 125.7 Ų | 125.7 | 90% | 0.9 | 78% | 0.78 | S | S | * | * | | | trans | -121.2 | 179.3 | 159.9 | -51.5 | -177.4 | 179.7 | 178.3 | 0 | 107.2 | | |
| 442 | P | 52.8 | Low | 32.1 | Very low | 104 Ų | 104 | 129.3 Ų | 129.3 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | | | cis | -132.3 | -146.7 | -6.2 | 25.8 | 1.3 | 0 | 0 | 0 | 111.6 | | |
| 443 | L | 30 | Very low | 31.4 | Very low | 156 Ų | 156 | 129.8 Ų | 129.8 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | | | trans | 76.7 | 144.8 | 166.9 | -88.1 | 74.1 | 0 | 0 | 0 | 117.1 | | |
| 444 | V | 35.8 | Very low | 31.8 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | | | cis | -151.5 | 168.7 | -15.3 | 85 | 0 | 0 | 0 | 0 | 112 | | |
| 445 | V | 31.9 | Very low | 32.1 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | | | trans | -76.4 | 139 | 176.7 | 168.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 446 | N | 32.3 | Very low | 32.2 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | | | | -169.1 | 168.2 | 115.6 | -141.3 | 2.8 | 0 | 0 | 0 | 117 | | |
| 447 | T | 32.2 | Very low | 32.1 | Very low | 126 Ų | 126 | 130 Ų | 130 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -69.8 | 153.5 | 177.8 | 56.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 448 | G | 30.8 | Very low | 32 | Very low | 78 Ų | 78 | 131.8 Ų | 131.8 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -167 | 146.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 449 | A | 31.1 | Very low | 31.9 | Very low | 94 Ų | 94 | 132.7 Ų | 132.7 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | | | trans | -153.4 | 175.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 450 | V | 28.8 | Very low | 31.9 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | 90 | 144.8 | 161.3 | -162.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 451 | R | 32.8 | Very low | 31.9 | Very low | 218 Ų | 218 | 136.3 Ų | 136.3 | 82% | 0.823 | 79% | 0.788 | S | S | * | * | | | trans | 63.7 | 98.2 | 156.2 | 60.8 | -169.5 | 172.2 | -123.3 | -3.3 | 123 | | |
| 452 | M | 29 | Very low | 31.6 | Very low | 172 Ų | 172 | 133.6 Ų | 133.6 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | | | | 32.8 | 124 | 102.5 | -68.5 | -71.4 | -69.6 | 0 | 0 | 120.5 | | |
| 453 | S | 28.3 | Very low | 30.5 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | | | trans | -166.6 | 157.6 | 134.8 | 52.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 454 | V | 33.4 | Very low | 30.4 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 70% | 0.697 | 78% | 0.778 | S | S | * | * | | | trans | -102 | 158.7 | -176.7 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | V456 | V454-V456 HydrophobicContact CG1-CG2 4.43Š|
| 455 | P | 34.7 | Very low | 30 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | | | trans | -135 | 167 | 133.5 | 33.8 | -19.8 | 0 | 0 | 0 | 115 | | |
| 456 | V | 30.2 | Very low | 29.7 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | | | trans | -120.6 | 152.3 | -174 | 170 | 0 | 0 | 0 | 0 | 109.9 | V454 | V454-V456 HydrophobicContact CG1-CG2 4.43Š|
| 457 | V | 27.4 | Very low | 30.3 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | | | trans | -179.9 | 109.5 | 152.4 | 134.1 | 0 | 0 | 0 | 0 | 108 | | |
| 458 | Q | 25.9 | Very low | 30 | Very low | 182 Ų | 182 | 137.4 Ų | 137.4 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | | | | 83.9 | 158.4 | 88.1 | -79.8 | -173.7 | -22 | 0 | 0 | 115.5 | | |
| 459 | A | 28.2 | Very low | 30.6 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | | | trans | -152.2 | 163.6 | -167.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 460 | Q | 30.7 | Very low | 30.4 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | trans | -164.5 | 130 | 169.6 | -116.9 | 175.5 | 24.2 | 0 | 0 | 116.1 | | |
| 461 | T | 30 | Very low | 30.5 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | | | trans | 51.8 | 155.4 | 137.8 | 35.9 | 0 | 0 | 0 | 0 | 123.3 | | |
| 462 | M | 27.9 | Very low | 30.3 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | cis | -168 | 163.2 | 5 | 41.3 | 177.6 | 170.7 | 0 | 0 | 113.5 | | |
| 463 | K | 28.3 | Very low | 30.2 | Very low | 171 Ų | 171 | 133.3 Ų | 133.3 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | trans | 68.6 | 151.7 | 150.6 | -83.8 | 177.7 | 176.4 | 177.4 | 0 | 118.1 | | |
| 464 | Q | 28.5 | Very low | 31 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | cis | -164.2 | 179.9 | -11.9 | -143 | 169.6 | -85.3 | 0 | 0 | 106.1 | | |
| 465 | V | 28.3 | Very low | 30.8 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | cis | -144.6 | -137.7 | 9.8 | -156.2 | 0 | 0 | 0 | 0 | 110 | | |
| 466 | A | 26.1 | Very low | 30.4 | Very low | 86 Ų | 86 | 135 Ų | 135 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | | | trans | -154.2 | -178 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 467 | P | 43.1 | Very low | 30.3 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | | | cis | -145.7 | -161.4 | 36 | 43.2 | -19.6 | 0 | 0 | 0 | 117.9 | | |
| 468 | K | 27.4 | Very low | 30.2 | Very low | 196 Ų | 196 | 134.8 Ų | 134.8 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | | | trans | -76.8 | -177.5 | -176.9 | -76.1 | 178.7 | 179.4 | 176.6 | 0 | 113.7 | | |
| 469 | P | 42 | Very low | 30.3 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | | | cis | -151.6 | 172 | 24 | 43.5 | -21.6 | 0 | 0 | 0 | 122.7 | | |
| 470 | L | 28.3 | Very low | 30.2 | Very low | 158 Ų | 158 | 132 Ų | 132 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | | | trans | 62.4 | 171.2 | 157.4 | -98.2 | 56.2 | 0 | 0 | 0 | 117.3 | | |
| 471 | T | 30.1 | Very low | 30.2 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | | | cis | -142.5 | -166.7 | 1.8 | -17.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 472 | S | 28.3 | Very low | 30.1 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | cis | -158.8 | -169.6 | -5.6 | 52.9 | 0 | 0 | 0 | 0 | 110 | | |
| 473 | A | 28.1 | Very low | 30.6 | Very low | 89 Ų | 89 | 133.7 Ų | 133.7 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | | | trans | -157.5 | -166.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 474 | P | 44.4 | Very low | 30.7 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | | | cis | -141 | -158.3 | -8.5 | 32.3 | -6.2 | 0 | 0 | 0 | 114.8 | | |
| 475 | Q | 28.7 | Very low | 30.9 | Very low | 175 Ų | 175 | 137.7 Ų | 137.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | 95.3 | 163.7 | 151.4 | -60.1 | -112.1 | -20.6 | 0 | 0 | 121.3 | | |
| 476 | V | 27.4 | Very low | 30.9 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | | | | -144.1 | 176.4 | -84.1 | -160.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 477 | V | 26.7 | Very low | 31.5 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | | | trans | 78.5 | 152.3 | 157.2 | 169.6 | 0 | 0 | 0 | 0 | 117.2 | | |
| 478 | T | 26.4 | Very low | 30.7 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | cis | -169 | 165.5 | -37.9 | -70.7 | 0 | 0 | 0 | 0 | 107.3 | | |
| 479 | T | 27.4 | Very low | 31.3 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | | | trans | 100.1 | 124.4 | 148.2 | -136.4 | 0 | 0 | 0 | 0 | 123.3 | | |
| 480 | T | 27.1 | Very low | 30.7 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | | | trans | 39.9 | 120.5 | 138.3 | 56.3 | 0 | 0 | 0 | 0 | 125.4 | | |
| 481 | Q | 29.4 | Very low | 31 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | | 69.4 | 158.7 | 124.2 | -77.9 | -161 | -0.4 | 0 | 0 | 124.2 | | |
| 482 | T | 28.2 | Very low | 31.4 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | | | trans | 78.9 | 152.2 | 162.4 | 56.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 483 | Q | 38.2 | Very low | 31.7 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | -92 | 147.3 | -179.8 | -51.7 | 163.7 | 1.7 | 0 | 0 | 109.2 | | |
| 484 | Q | 30.4 | Very low | 32.1 | Very low | 193 Ų | 193 | 141 Ų | 141 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | | | | -172.7 | 151.1 | 124.3 | -104.2 | 163 | 64.3 | 0 | 0 | 115.4 | | |
| 485 | R | 33.8 | Very low | 31.7 | Very low | 211 Ų | 211 | 143.8 Ų | 143.8 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | | | trans | -51 | 137.9 | 165.2 | 165.8 | -160.6 | -170.8 | -134.1 | 9.3 | 113.2 | | |
| 486 | L | 27.4 | Very low | 31.8 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | | | trans | -159.8 | 172.6 | 136.7 | -132.1 | 69.4 | 0 | 0 | 0 | 114.7 | | |
| 487 | I | 38.1 | Very low | 32.4 | Very low | 137 Ų | 137 | 146.5 Ų | 146.5 | 70% | 0.703 | 79% | 0.79 | S | S | * | * | | | trans | -84 | 160.6 | -167.3 | -63.5 | 149.3 | 0 | 0 | 0 | 111.6 | | |
| 488 | M | 27.3 | Very low | 32.9 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | | | trans | -127.1 | 156.2 | 159.7 | -84.1 | -149.8 | 70.2 | 0 | 0 | 113.3 | | |
| 489 | P | 38.5 | Very low | 33.2 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | | | trans | -100.5 | -175.5 | -169.2 | 8.1 | 15.9 | 0 | 0 | 0 | 113.5 | | |
| 490 | A | 31.1 | Very low | 33.6 | Very low | 86 Ų | 86 | 150 Ų | 150 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | trans | -119.2 | -177.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 491 | T | 33.1 | Very low | 34.4 | Very low | 136 Ų | 136 | 150.2 Ų | 150.2 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | | | trans | 84.5 | 152 | 174.7 | 74.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 492 | P | 39.9 | Very low | 35 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | | | cis | -127.8 | -177.4 | -22.3 | 27.7 | -5.9 | 0 | 0 | 0 | 114.4 | | |
| 493 | L | 33 | Very low | 35.7 | Very low | 153 Ų | 153 | 149.3 Ų | 149.3 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | | | trans | -86.7 | 167 | -177.1 | -151.1 | 85 | 0 | 0 | 0 | 113.4 | | |
| 494 | P | 36.9 | Very low | 36 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -120.3 | 157.7 | 138.1 | 36.4 | -30.8 | 0 | 0 | 0 | 113.6 | | |
| 495 | Q | 36.4 | Very low | 36.3 | Very low | 171 Ų | 171 | 143 Ų | 143 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | | | trans | -114.5 | 133.8 | -161.4 | 171.1 | -169.9 | -6.6 | 0 | 0 | 112.7 | | |
| 496 | I | 30.6 | Very low | 36.9 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | | | trans | -137.6 | 146.3 | 164.4 | -59.9 | -176.6 | 0 | 0 | 0 | 109.7 | | |
| 497 | Q | 41 | Very low | 37.8 | Very low | 172 Ų | 172 | 133.5 Ų | 133.5 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | -115.5 | 137.3 | -167.7 | 178.4 | -173.4 | 31.2 | 0 | 0 | 112 | | |
| 498 | P | 35.9 | Very low | 38.3 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | | | trans | -93.7 | 159 | 169.3 | 35.3 | -32.1 | 0 | 0 | 0 | 113.2 | | |
| 499 | N | 32.9 | Very low | 38.8 | Very low | 134 Ų | 134 | 132.2 Ų | 132.2 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | | | trans | -98.7 | 145.1 | -175 | -179.7 | -72.5 | 0 | 0 | 0 | 112.3 | T501 | N499-T501 PolarHBondContact OD1-OG1 3.47Š|
| 500 | F | 37.1 | Very low | 39 | Very low | 195 Ų | 195 | 133 Ų | 133 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | | | trans | -103.1 | 101.8 | 175.4 | -69 | -82.7 | 0 | 0 | 0 | 112 | | |
| 501 | T | 43.8 | Very low | 39.2 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | | | trans | -141.9 | 69.8 | 169.1 | -49.5 | 0 | 0 | 0 | 0 | 111.9 | N499 | N499-T501 PolarHBondContact OD1-OG1 3.47Š|
| 502 | N | 41 | Very low | 39.3 | Very low | 154 Ų | 154 | 132.3 Ų | 132.3 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | | | trans | 170.6 | 120.4 | 147.1 | -104.6 | -86.5 | 0 | 0 | 0 | 110.1 | | |
| 503 | L | 43.6 | Very low | 39.4 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | | | trans | -141.1 | 143.7 | 164.9 | -75.2 | 176.6 | 0 | 0 | 0 | 108.9 | | |
| 504 | P | 43.8 | Very low | 39.8 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | | | trans | -75.6 | 161.3 | -176.9 | 31.4 | -35.7 | 0 | 0 | 0 | 112.8 | G506 | P504-G506 PolarHBondContact O-N 3.42Š|
| 505 | P | 37.2 | Very low | 40.1 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 90% | 0.896 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 131.1 | 176.9 | -20.3 | 32.9 | 0 | 0 | 0 | 112.1 | | |
| 506 | G | 47.1 | Very low | 40.5 | Very low | 73 Ų | 73 | 124.8 Ų | 124.8 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 138.7 | -18.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | P504 V508 | P504-G506 PolarHBondContact O-N 3.42Å; G506-V508 PolarHBondContact O-N 3.14Å; G506-V508 VanDerWaalsContact O-N 3.1Å |
| 507 | T | 45.4 | Very low | 41.2 | Very low | 93 Ų | 93 | 124.2 Ų | 124.2 | 57% | 0.571 | 78% | 0.778 | S | S | * | * | | | trans | -73.9 | 99.4 | 178.5 | -51.9 | 0 | 0 | 0 | 0 | 111.7 | L509 | T507-L509 HydrophobicContact CG2-CD2 4.16Å; T507-L509 HydrophobicContact CG2-CG 4.43Å |
| 508 | V | 48.4 | Very low | 41.5 | Very low | 129 Ų | 129 | 122.1 Ų | 122.1 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | | | trans | -90.8 | 126.6 | 168.8 | -170.5 | 0 | 0 | 0 | 0 | 109.2 | G506 | G506-V508 PolarHBondContact O-N 3.14Å; G506-V508 VanDerWaalsContact O-N 3.1Å |
| 509 | L | 38.5 | Very low | 41.7 | Very low | 149 Ų | 149 | 120.7 Ų | 120.7 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | | | trans | -104.8 | 122.7 | 175.1 | -63.2 | 176.5 | 0 | 0 | 0 | 109.8 | T507 | T507-L509 HydrophobicContact CG2-CD2 4.16Å; T507-L509 HydrophobicContact CG2-CG 4.43Å |
| 510 | T | 41.6 | Very low | 42.4 | Very low | 136 Ų | 136 | 123.8 Ų | 123.8 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | | | trans | -114.4 | 128.8 | 170.3 | -78.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 511 | S | 36.4 | Very low | 42.7 | Very low | 111 Ų | 111 | 119 Ų | 119 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 140.7 | 174.9 | 39.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 512 | A | 33.6 | Very low | 42.7 | Very low | 95 Ų | 95 | 120.5 Ų | 120.5 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 137.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 513 | P | 44 | Very low | 42.8 | Very low | 137 Ų | 137 | 118 Ų | 118 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -81 | 127.1 | 177.2 | -11.3 | 28.2 | 0 | 0 | 0 | 112.8 | | |
| 514 | G | 41.2 | Very low | 42.6 | Very low | 82 Ų | 82 | 116 Ų | 116 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 104.9 | 129.3 | 163 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 515 | G | 41.9 | Very low | 42.8 | Very low | 77 Ų | 77 | 115.4 Ų | 115.4 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | trans | 100.8 | 121.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N517 | G515-N517 PolarHBondContact O-N 3.27Å; G515-N517 VanDerWaalsContact O-N 3.11Å |
| 516 | S | 46.2 | Very low | 43.2 | Very low | 122 Ų | 122 | 116.7 Ų | 116.7 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -85.4 | 76.5 | -172.9 | 46.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 517 | N | 45.2 | Very low | 43.1 | Very low | 160 Ų | 160 | 121.6 Ų | 121.6 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | | | trans | -156.8 | 125.4 | 156 | -119.2 | -97.9 | 0 | 0 | 0 | 111.1 | G515 G519 | G515-N517 PolarHBondContact O-N 3.27Å; G515-N517 VanDerWaalsContact O-N 3.11Å; N517-G519 PolarHBondContact O-N 2.89Å |
| 518 | V | 45.9 | Very low | 43.4 | Very low | 127 Ų | 127 | 122.3 Ų | 122.3 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | trans | -88.2 | 85.8 | -175.2 | -78 | 0 | 0 | 0 | 0 | 112.3 | | |
| 519 | G | 41.1 | Very low | 43.5 | Very low | 77 Ų | 77 | 121.5 Ų | 121.5 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | trans | -87.5 | 119 | 169 | 0 | 0 | 0 | 0 | 0 | 112.1 | N517 | N517-G519 PolarHBondContact O-N 2.89Š|
| 520 | Y | 47.1 | Very low | 43.7 | Very low | 200 Ų | 200 | 121.3 Ų | 121.3 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | | | trans | -91 | 127.1 | 171.6 | -63.5 | -85.3 | 0 | 0 | 0 | 110.5 | | |
| 521 | A | 43.3 | Very low | 43.8 | Very low | 94 Ų | 94 | 122.6 Ų | 122.6 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | | | trans | -104.6 | 122.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 522 | V | 43.8 | Very low | 44.2 | Very low | 141 Ų | 141 | 125.7 Ų | 125.7 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | | | trans | -98.8 | 111.7 | 175 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 523 | V | 43.5 | Very low | 44.2 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 61% | 0.612 | 77% | 0.772 | S | S | * | * | | | trans | -92.2 | 127.6 | 176.6 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | A525 | V523-A525 PolarHBondContact O-N 3.44Š|
| 524 | P | 39.4 | Very low | 43.7 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 62% | 0.623 | 77% | 0.768 | S | S | * | * | | | trans | -61.1 | 134.7 | 174.9 | -24.4 | 34.9 | 0 | 0 | 0 | 112.4 | Q526 Y527 | P524-Q526 PolarHBondContact O-N 3.41Å; P524-Y527 PolarHBondContact O-N 2.79Å |
| 525 | A | 47.4 | Very low | 43.1 | Very low | 85 Ų | 85 | 134.3 Ų | 134.3 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -58 | -21.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | V523 Y527 V528 | V523-A525 PolarHBondContact O-N 3.44Å; A525-Y527 PolarHBondContact O-N 3.02Å; A525-V528 PolarHBondContact O-N 3.24Å |
| 526 | Q | 46.5 | Very low | 42.7 | Very low | 166 Ų | 166 | 140 Ų | 140 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -67 | -21.7 | -179.4 | -63.9 | -168.2 | -39.6 | 0 | 0 | 113.9 | P524 T529 | P524-Q526 PolarHBondContact O-N 3.41Å; Q526-T529 PolarHBondContact O-OG1 3.3Å; Q526-T529 VanDerWaalsContact O-OG1 3.09Å |
| 527 | Y | 44.3 | Very low | 41.9 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 69% | 0.686 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -78.7 | -20.2 | -178.5 | -133.2 | -87 | 0 | 0 | 0 | 113.6 | P524 A525 | P524-Y527 PolarHBondContact O-N 2.79Å; A525-Y527 PolarHBondContact O-N 3.02Å |
| 528 | V | 51.2 | Low | 41.4 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 66% | 0.655 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -34.8 | -178.3 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | A525 Q530 | A525-V528 PolarHBondContact O-N 3.24Å; V528-Q530 VanDerWaalsContact C-N 3.32Å; V528-Q530 PolarHBondContact O-N 2.93Å |
| 529 | T | 50.9 | Low | 40.6 | Very low | 113 Ų | 113 | 141 Ų | 141 | 69% | 0.693 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -73.9 | -14.1 | -175.9 | 35 | 0 | 0 | 0 | 0 | 115.1 | Q526 | Q526-T529 PolarHBondContact O-OG1 3.3Å; Q526-T529 VanDerWaalsContact O-OG1 3.09Å |
| 530 | Q | 43.4 | Very low | 40 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -85.7 | -8.2 | -175.9 | -155.3 | 171.4 | 17.5 | 0 | 0 | 113.9 | V528 | V528-Q530 VanDerWaalsContact C-N 3.32Å; V528-Q530 PolarHBondContact O-N 2.93Å |
| 531 | L | 42.7 | Very low | 39.1 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -91.9 | 3.9 | -179.8 | -79.8 | 169.1 | 0 | 0 | 0 | 114.8 | | |
| 532 | Q | 46.6 | Very low | 38.5 | Very low | 175 Ų | 175 | 139.8 Ų | 139.8 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -133.1 | 43.3 | -173.2 | -153.2 | 172.6 | 30.6 | 0 | 0 | 114.7 | | |
| 533 | Q | 32.9 | Very low | 38 | Very low | 194 Ų | 194 | 138.8 Ų | 138.8 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | | | trans | -152.7 | 109.3 | 164.4 | -125.6 | 155.2 | 86.3 | 0 | 0 | 112.5 | | |
| 534 | S | 33.5 | Very low | 37.3 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | trans | -129.9 | 109.6 | 174.7 | 46.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 535 | Q | 28.3 | Very low | 37.2 | Very low | 188 Ų | 188 | 144.5 Ų | 144.5 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | | | trans | -141.2 | 153.5 | 161.9 | -78 | -152.1 | -29.2 | 0 | 0 | 111.6 | | |
| 536 | F | 34.5 | Very low | 36.7 | Very low | 196 Ų | 196 | 146.5 Ų | 146.5 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | -76 | 153.1 | -154.9 | -59 | -99.2 | 0 | 0 | 0 | 115.2 | | |
| 537 | V | 28.3 | Very low | 35.9 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -132.7 | 128.5 | 153.5 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 538 | T | 34.1 | Very low | 35.3 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 80% | 0.798 | 82% | 0.817 | S | S | * | * | | | trans | -87 | 140.2 | 176 | -50.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 539 | L | 29.1 | Very low | 34.3 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 86% | 0.859 | 83% | 0.828 | S | S | * | * | | | trans | -124.1 | 129.9 | 168.4 | -79.1 | 169 | 0 | 0 | 0 | 110.1 | | |
| 540 | A | 29 | Very low | 33.5 | Very low | 101 Ų | 101 | 141.5 Ų | 141.5 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | | | trans | -96.4 | 146.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 541 | S | 29.5 | Very low | 33 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 87% | 0.874 | 84% | 0.838 | S | S | * | * | | | trans | -79.3 | 140.2 | -174.1 | -49.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 542 | S | 29.8 | Very low | 32.5 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | | | trans | -148.3 | 128.6 | 153.3 | 63.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 543 | S | 33.2 | Very low | 31.6 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 83% | 0.832 | 84% | 0.839 | S | S | * | * | | | trans | -121.1 | 130.6 | -167 | 46.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 544 | S | 29.1 | Very low | 31.6 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | | | trans | -163 | 128.8 | 159.5 | 54.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 545 | F | 36.2 | Very low | 31.9 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 88% | 0.877 | 84% | 0.841 | S | S | * | * | | | trans | -88.3 | 161.7 | 169.4 | -69.2 | -90.1 | 0 | 0 | 0 | 110.2 | | |
| 546 | P | 37.7 | Very low | 32 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | | | | -130.3 | 168.1 | 111.5 | 37.3 | -31.3 | 0 | 0 | 0 | 114 | | |
| 547 | A | 30.8 | Very low | 32 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 84% | 0.835 | 84% | 0.84 | S | S | * | * | | | trans | -81.3 | 165.1 | -171 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 548 | S | 30.6 | Very low | 32.5 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | | | trans | -83.9 | 157 | -177.1 | 53.8 | 0 | 0 | 0 | 0 | 114 | | |
| 549 | S | 30.8 | Very low | 32.3 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 88% | 0.881 | 85% | 0.847 | S | S | * | * | | | trans | -145.2 | 137.6 | 162.4 | -70.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 550 | S | 34.1 | Very low | 33 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 80% | 0.797 | 84% | 0.839 | S | S | * | * | | | trans | -95.3 | 147.7 | -176.8 | 51.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 551 | V | 32.6 | Very low | 33.4 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | | | trans | -174.8 | 128.3 | 142.2 | 138.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 552 | Q | 31.1 | Very low | 34.1 | Very low | 175 Ų | 175 | 138.9 Ų | 138.9 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | trans | 32.3 | 117.3 | 151.6 | -54.4 | 175.6 | -3 | 0 | 0 | 121 | | |
| 553 | T | 28.9 | Very low | 34.7 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | | | trans | -86.2 | 117.8 | 166.8 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 554 | Q | 33.3 | Very low | 34.8 | Very low | 183 Ų | 183 | 136.8 Ų | 136.8 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | | | trans | -110 | 144.1 | 151.7 | -72.1 | -167.9 | 6.7 | 0 | 0 | 109.5 | | |
| 555 | A | 39.1 | Very low | 35.4 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 88% | 0.884 | 81% | 0.813 | S | S | * | * | | | trans | -73.3 | 132.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 556 | K | 29.7 | Very low | 35.4 | Very low | 208 Ų | 208 | 134.9 Ų | 134.9 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | | | trans | -138.8 | 143.1 | 169 | -163.8 | 176.3 | -178.6 | -177.1 | 0 | 111.2 | | |
| 557 | L | 34.9 | Very low | 35.6 | Very low | 156 Ų | 156 | 136 Ų | 136 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | | | trans | -64.4 | 151 | -175 | -62 | 165.5 | 0 | 0 | 0 | 113.1 | Y559 | L557-Y559 PolarHBondContact O-N 3.29Å; L557-Y559 VanDerWaalsContact O-N 3.14Å |
| 558 | P | 38.9 | Very low | 36.1 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | trans | -73.5 | 102.5 | 179.9 | 29.8 | -34.7 | 0 | 0 | 0 | 112.4 | | |
| 559 | Y | 29.4 | Very low | 36.9 | Very low | 229 Ų | 229 | 136 Ų | 136 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | | | trans | -99.6 | 130.7 | 168.5 | -172.1 | -96.4 | 0 | 0 | 0 | 110.4 | L557 | L557-Y559 PolarHBondContact O-N 3.29Å; L557-Y559 VanDerWaalsContact O-N 3.14Å |
| 560 | N | 44.8 | Very low | 38.1 | Very low | 128 Ų | 128 | 139 Ų | 139 | 68% | 0.684 | 80% | 0.796 | S | S | * | * | | | trans | -113.1 | 93.3 | -163.2 | -174.8 | 10.1 | 0 | 0 | 0 | 113.7 | R643 | N560-R643 PolarHBondContact O-NH1 2.95Š|
| 561 | G | 36.6 | Very low | 39.2 | Very low | 40 Ų | 40 | 140.1 Ų | 140.1 | 41% | 0.412 | 80% | 0.8 | S | S | . | * | | | trans | -161.5 | 147.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 562 | V | 45 | Very low | 41.3 | Very low | 145 Ų | 145 | 141 Ų | 141 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | | | trans | 61.1 | 169.2 | 169.4 | -50.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 563 | S | 42.7 | Very low | 44.1 | Very low | 90 Ų | 90 | 141.8 Ų | 141.8 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | | | | -174.9 | 115.2 | -101.6 | -74.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 564 | A | 35.7 | Very low | 47.2 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 88% | 0.884 | 77% | 0.765 | S | S | * | * | | | trans | -154.4 | 171.2 | 160 | 0 | 0 | 0 | 0 | 0 | 110.1 | E566 | A564-E566 PolarHBondContact O-N 3.35Š|
| 565 | A | 41.3 | Very low | 50.2 | Low | 106 Ų | 106 | 129.2 Ų | 129.2 | 88% | 0.876 | 73% | 0.727 | S | S | * | * | | | trans | -75.1 | 117.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 566 | E | 35.2 | Very low | 52.9 | Low | 172 Ų | 172 | 129.4 Ų | 129.4 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | | | trans | -150.3 | 134.9 | 155.2 | -136.8 | 178.6 | 163.5 | 0 | 0 | 108.5 | A564 T568 | A564-E566 PolarHBondContact O-N 3.35Å; E566-T568 PolarHBondContact O-N 3.35Å |
| 567 | T | 42.8 | Very low | 56.2 | Low | 151 Ų | 151 | 120.2 Ų | 120.2 | 93% | 0.926 | 68% | 0.675 | S | S | * | * | | | trans | -81.8 | 43.8 | -175.1 | 46.8 | 0 | 0 | 0 | 0 | 112.7 | S569 | T567-S569 PolarHBondContact O-N 3.14Š|
| 568 | T | 40.9 | Very low | 59.1 | Low | 111 Ų | 111 | 117 Ų | 117 | 68% | 0.681 | 66% | 0.662 | S | S | * | * | | | trans | -77.7 | 109.2 | 168.4 | -173.8 | 0 | 0 | 0 | 0 | 109.4 | E566 R570 | E566-T568 PolarHBondContact O-N 3.35Å; T568-R570 PolarHBondContact O-N 2.86Å |
| 569 | S | 47.9 | Very low | 61.8 | Low | 104 Ų | 104 | 119.8 Ų | 119.8 | 73% | 0.727 | 66% | 0.66 | S | S | * | * | | | trans | -72.8 | 83.4 | -173.9 | 46 | 0 | 0 | 0 | 0 | 111.4 | T567 P571 | T567-S569 PolarHBondContact O-N 3.14Å; S569-P571 VanDerWaalsContact O-CD 3.32Å; S569-P571 WeakPolarHBondContact O-CD 3.34Å; S569-P571 VanDerWaalsContact O-N 3.09Å |
| 570 | R | 56 | Low | 65 | Low | 190 Ų | 190 | 109.3 Ų | 109.3 | 72% | 0.717 | 62% | 0.621 | S | S | * | * | | | trans | -48.3 | 120.3 | 161.2 | -66 | -173.4 | -175.4 | -134.9 | 0.7 | 107.8 | T568 R572 | T568-R570 PolarHBondContact O-N 2.86Å; R570-R572 PolarHBondContact O-N 3.12Å |
| 571 | P | 57.2 | Low | 67.5 | Low | 137 Ų | 137 | 107.2 Ų | 107.2 | 89% | 0.89 | 61% | 0.607 | S | S | * | * | | | trans | -53 | 105.8 | -173.7 | -31.1 | 37 | 0 | 0 | 0 | 111.6 | S569 | S569-P571 VanDerWaalsContact O-CD 3.32Å; S569-P571 WeakPolarHBondContact O-CD 3.34Å; S569-P571 VanDerWaalsContact O-N 3.09Å |
| 572 | R | 76.6 | Confident | 70.4 | Confident | 145 Ų | 145 | 105.3 Ų | 105.3 | 55% | 0.547 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -74.6 | 151.5 | 177.3 | -61.5 | -56.5 | -157.3 | -166.3 | 1 | 108.2 | R570 E594 | R570-R572 PolarHBondContact O-N 3.12Å; R572-E594 IonicContact CZ-OE1 3.11Å; R572-E594 IonicContact CZ-OE2 3.21Å; R572-E594 IonicContact NE-OE1 2.66Å; R572-E594 PolarHBondContact NE-OE1 3.42Å; R572-E594 IonicContact NE-OE2 2.82Å; R572-E594 PolarHBondContact NE-OE2 3.33Å; R572-E594 IonicContact NH2-OE1 3.43Å; R572-E594 PolarHBondContact NH2-OE1 2.87Å; R572-E594 IonicContact NH2-OE2 2.78Å |
| 573 | K | 88.2 | Confident | 72.9 | Confident | 193 Ų | 193 | 99.4 Ų | 99.4 | 84% | 0.839 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 127.2 | 166.7 | -77.5 | -169.6 | 170.4 | -171.5 | 0 | 108.6 | C575 | K573-C575 PolarHBondContact O-N 3.39Š|
| 574 | P | 94.4 | Very high | 75.5 | Confident | 54 Ų | 54 | 99.6 Ų | 99.6 | 35% | 0.351 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 134.9 | 175.9 | 26.6 | -34 | 0 | 0 | 0 | 109.8 | N576 N598 | P574-N576 PolarHBondContact O-ND2 3.43Å; P574-N576 VanDerWaalsContact O-ND2 3.08Å; P574-N598 WeakPolarHBondContact CB-O 3.44Å |
| 575 | C | 96.7 | Very high | 78.3 | Confident | 7 Ų | 7 | 98 Ų | 98 | 5% | 0.047 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 146.1 | 177.4 | 80.8 | 0 | 0 | 0 | 0 | 110.8 | K573 C587 C599 N600 C601 | K573-C575 PolarHBondContact O-N 3.39Å; C575-C587 VanDerWaalsContact SG-SG 3.66Å; C575-C599 PolarHBondContact N-SG 2.94Å; C575-C599 VanDerWaalsContact N-SG 3.39Å; C575-N600 CarbonylContact O-C 3.48Å; C575-N600 WeakPolarHBondContact O-CA 3.37Å; C575-N600 PolarHBondContact O-N 3.19Å; C575-C601 PolarHBondContact O-N 3.5Å |
| 576 | N | 96.6 | Very high | 80.8 | Confident | 111 Ų | 111 | 102.4 Ų | 102.4 | 59% | 0.594 | 51% | 0.512 | S | S | * | . | | | trans | -112.5 | 43.2 | -175.7 | -62.2 | -96.1 | 0 | 0 | 0 | 110.1 | P574 N600 | P574-N576 PolarHBondContact O-ND2 3.43Å; P574-N576 VanDerWaalsContact O-ND2 3.08Å; N576-N600 VanDerWaalsContact OD1-CB 3.24Å; N576-N600 WeakPolarHBondContact OD1-CB 3.09Å; N576-N600 PolarHBondContact OD1-ND2 2.9Å |
| 577 | C | 97.9 | Very high | 83.7 | Confident | 15 Ų | 15 | 94.2 Ų | 94.2 | 10% | 0.101 | 47% | 0.473 | C | S | . | . | | | trans | -74 | 139.9 | -171 | -73.7 | 0 | 0 | 0 | 0 | 112.7 | S580 C582 C587 C601 N602 | C577-S580 VanDerWaalsContact CB-OG 3.29Å; C577-S580 WeakPolarHBondContact CB-OG 3.41Å; C577-S580 PolarHBondContact SG-OG 2.81Å; C577-S580 VanDerWaalsContact SG-OG 3.41Å; C577-C582 VanDerWaalsContact CB-SG 3.59Å; C577-C587 VanDerWaalsContact SG-CB 3.57Å; C577-C601 HydrophobicContact CB-CB 3.89Å; C577-C601 CarbonylContact O-C 3.37Å; C577-C601 VanDerWaalsContact O-CA 3.31Å; C577-C601 WeakPolarHBondContact O-CA 3.32Å; C577-N602 PolarHBondContact O-N 2.84Å |
| 578 | T | 96.8 | Very high | 86.1 | Confident | 90 Ų | 90 | 92.3 Ų | 92.3 | 55% | 0.552 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -129.1 | -34.5 | 176.7 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | N602 | T578-N602 HydrophobicContact CG2-CB 4.45Š|
| 579 | K | 96.1 | Very high | 88.8 | Confident | 190 Ų | 190 | 87.6 Ų | 87.6 | 83% | 0.826 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -111.4 | -0.3 | -175.7 | -61.6 | -176.4 | 179.9 | -176.7 | 0 | 114.8 | | |
| 580 | S | 95.5 | Very high | 91.1 | Very high | 9 Ų | 9 | 82.7 Ų | 82.7 | 6% | 0.063 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -96.5 | -16.2 | -179 | 58.5 | 0 | 0 | 0 | 0 | 113.9 | C577 C582 L583 | C577-S580 VanDerWaalsContact CB-OG 3.29Å; C577-S580 WeakPolarHBondContact CB-OG 3.41Å; C577-S580 PolarHBondContact SG-OG 2.81Å; C577-S580 VanDerWaalsContact SG-OG 3.41Å; S580-C582 PolarHBondContact O-N 2.85Å; S580-C582 VanDerWaalsContact O-N 3.08Å; S580-C582 PolarHBondContact OG-N 3.14Å; S580-L583 PolarHBondContact O-N 2.92Å |
| 581 | Q | 96.9 | Very high | 92.9 | Very high | 85 Ų | 85 | 74.6 Ų | 74.6 | 40% | 0.397 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 18.7 | -163 | -65.6 | 163.8 | -20.4 | 0 | 0 | 113 | L583 N603 F605 | Q581-L583 HydrophobicContact CB-CG 4.49Å; Q581-L583 PolarHBondContact O-N 3.35Å; Q581-L583 VanDerWaalsContact O-N 3.14Å; Q581-N603 VanDerWaalsContact CA-O 3.26Å; Q581-N603 WeakPolarHBondContact CA-O 3.37Å; Q581-N603 WeakPolarHBondContact CB-O 3.46Å; Q581-F605 HydrophobicContact CB-CB 4.5Å; Q581-F605 HydrophobicContact CB-CD2 4.33Å; Q581-F605 HydrophobicContact CB-CG 4.39Å; Q581-F605 PolarHBondContact O-N 3.48Å |
| 582 | C | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 11.4 | -165 | -57.4 | 0 | 0 | 0 | 0 | 115.5 | C577 S580 K584 C587 F590 C596 C601 C604 N606 | C577-C582 VanDerWaalsContact CB-SG 3.59Å; S580-C582 PolarHBondContact O-N 2.85Å; S580-C582 VanDerWaalsContact O-N 3.08Å; S580-C582 PolarHBondContact OG-N 3.14Å; C582-K584 PolarHBondContact O-N 3.48Å; C582-C587 HydrophobicContact CB-CB 4.29Å; C582-F590 WeakPolarHBondContact O-CB 3.48Å; C582-F590 WeakPolarHBondContact O-CD2 3.2Å; C582-F590 WeakPolarHBondContact O-CG 3.27Å; C582-C596 VanDerWaalsContact SG-SG 3.65Å; C582-C601 VanDerWaalsContact SG-CB 3.5Å; C582-C604 VanDerWaalsContact SG-SG 3.67Å; C582-N606 HydrophobicContact CB-CB 3.41Å; C582-N606 VanDerWaalsContact CB-CB 3.41Å |
| 583 | L | 97.1 | Very high | 95.4 | Very high | 20 Ų | 20 | 67.6 Ų | 67.6 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | | | trans | -96.5 | 25.4 | -179.3 | -67.1 | -173.1 | 0 | 0 | 0 | 114.3 | S580 Q581 F590 F605 E613 R614 A617 | S580-L583 PolarHBondContact O-N 2.92Å; Q581-L583 HydrophobicContact CB-CG 4.49Å; Q581-L583 PolarHBondContact O-N 3.35Å; Q581-L583 VanDerWaalsContact O-N 3.14Å; L583-F590 HydrophobicContact CD2-CD2 4.44Å; L583-F590 HydrophobicContact CD2-CE2 4.1Å; L583-F605 HydrophobicContact CD1-CB 3.69Å; L583-F605 HydrophobicContact CD1-CD2 4.02Å; L583-F605 HydrophobicContact CD1-CG 4.39Å; L583-F605 HydrophobicContact CD2-CB 4.18Å; L583-F605 WeakPolarHBondContact CD2-O 3.48Å; L583-F605 HydrophobicContact CG-CB 3.83Å; L583-E613 HydrophobicContact CD1-CB 3.79Å; L583-R614 HydrophobicContact CD2-CB 4.01Å; L583-R614 HydrophobicContact CD2-CG 4.18Å; L583-A617 HydrophobicContact CB-CB 3.85Å; L583-A617 HydrophobicContact CD1-CB 4.39Å; L583-A617 HydrophobicContact CD2-CB 4.18Å; L583-A617 HydrophobicContact CG-CB 4.38Å |
| 584 | K | 96.5 | Very high | 95.7 | Very high | 94 Ų | 94 | 61.7 Ų | 61.7 | 41% | 0.409 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -145.7 | 149.3 | -174.9 | -57.7 | 176.6 | -169.1 | 164.8 | 0 | 109.3 | C582 Y586 C587 | C582-K584 PolarHBondContact O-N 3.48Å; K584-Y586 HydrophobicContact CB-CD2 3.72Å; K584-Y586 HydrophobicContact CB-CE2 4.33Å; K584-Y586 HydrophobicContact CD-CD2 4.17Å; K584-Y586 HydrophobicContact CD-CE2 4.28Å; K584-Y586 PolarHBondContact O-N 3.18Å; K584-C587 WeakPolarHBondContact O-CB 3.31Å; K584-C587 PolarHBondContact O-N 3.08Å |
| 585 | L | 94.9 | Very high | 95.8 | Very high | 75 Ų | 75 | 63 Ų | 63 | 39% | 0.393 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 4.9 | 178.5 | -56.6 | 175.2 | 0 | 0 | 0 | 115.2 | C587 F590 A591 A628 F629 | L585-C587 VanDerWaalsContact C-N 3.3Å; L585-F590 HydrophobicContact CD2-CD1 4.15Å; L585-F590 HydrophobicContact CD2-CE1 4.25Å; L585-A591 HydrophobicContact CD2-CB 4.12Å; L585-A628 HydrophobicContact CD1-CB 4.21Å; L585-F629 HydrophobicContact CD2-CD1 4.39Å; L585-F629 HydrophobicContact CD2-CE1 3.86Å; L585-F629 HydrophobicContact CD2-CZ 4.24Å |
| 586 | Y | 94.3 | Very high | 95.9 | Very high | 198 Ų | 198 | 63.7 Ų | 63.7 | 78% | 0.776 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -11.1 | 164.6 | -51.3 | -67.3 | 0 | 0 | 0 | 113 | K584 | K584-Y586 HydrophobicContact CB-CD2 3.72Å; K584-Y586 HydrophobicContact CB-CE2 4.33Å; K584-Y586 HydrophobicContact CD-CD2 4.17Å; K584-Y586 HydrophobicContact CD-CE2 4.28Å; K584-Y586 PolarHBondContact O-N 3.18Å |
| 587 | C | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -100.6 | 121.2 | 171.9 | 173.6 | 0 | 0 | 0 | 0 | 108.5 | C575 C577 C582 K584 L585 C589 F590 A591 | C575-C587 VanDerWaalsContact SG-SG 3.66Å; C577-C587 VanDerWaalsContact SG-CB 3.57Å; C582-C587 HydrophobicContact CB-CB 4.29Å; K584-C587 WeakPolarHBondContact O-CB 3.31Å; K584-C587 PolarHBondContact O-N 3.08Å; L585-C587 VanDerWaalsContact C-N 3.3Å; C587-C589 VanDerWaalsContact C-N 3.34Å; C587-C589 PolarHBondContact O-N 2.89Å; C587-F590 HydrophobicContact CB-CB 4.1Å; C587-F590 PolarHBondContact O-N 3.42Å; C587-A591 WeakPolarHBondContact O-CB 3.39Å; C587-A591 PolarHBondContact O-N 3.3Å |
| 588 | D | 93.4 | Very high | 95.7 | Very high | 111 Ų | 111 | 70.3 Ų | 70.3 | 59% | 0.594 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.4 | -35.7 | -176.6 | -56.7 | -60.9 | 0 | 0 | 0 | 112.8 | F590 A591 N592 | D588-F590 PolarHBondContact O-N 3.37Å; D588-A591 PolarHBondContact O-N 3.31Å; D588-N592 WeakPolarHBondContact O-CB 3.34Å; D588-N592 VanDerWaalsContact O-CG 3.27Å; D588-N592 PolarHBondContact O-N 2.93Å; D588-N592 PolarHBondContact O-ND2 2.98Å |
| 589 | C | 95.9 | Very high | 95.7 | Very high | 12 Ų | 12 | 67.4 Ų | 67.4 | 8% | 0.081 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.8 | -53.3 | 175 | -52.3 | 0 | 0 | 0 | 0 | 110.5 | C587 N592 G593 E594 C596 | C587-C589 VanDerWaalsContact C-N 3.34Å; C587-C589 PolarHBondContact O-N 2.89Å; C589-N592 PolarHBondContact O-N 3.15Å; C589-G593 PolarHBondContact O-N 3.31Å; C589-E594 CarbonylContact C-O 2.97Å; C589-E594 PolarHBondContact O-N 2.92Å; C589-E594 VanDerWaalsContact O-O 3.09Å; C589-C596 VanDerWaalsContact CB-SG 3.55Å |
| 590 | F | 96.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 63 Ų | 63 | 0% | 0.004 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 178.2 | -176.2 | -91.9 | 0 | 0 | 0 | 112.4 | C582 L583 L585 C587 D588 N592 G593 R614 A617 I618 F629 | C582-F590 WeakPolarHBondContact O-CB 3.48Å; C582-F590 WeakPolarHBondContact O-CD2 3.2Å; C582-F590 WeakPolarHBondContact O-CG 3.27Å; L583-F590 HydrophobicContact CD2-CD2 4.44Å; L583-F590 HydrophobicContact CD2-CE2 4.1Å; L585-F590 HydrophobicContact CD2-CD1 4.15Å; L585-F590 HydrophobicContact CD2-CE1 4.25Å; C587-F590 HydrophobicContact CB-CB 4.1Å; C587-F590 PolarHBondContact O-N 3.42Å; D588-F590 PolarHBondContact O-N 3.37Å; F590-N592 PolarHBondContact O-N 3.07Å; F590-G593 WeakPolarHBondContact O-CA 3.17Å; F590-G593 PolarHBondContact O-N 2.99Å; F590-R614 HydrophobicContact CE2-CG 4.42Å; F590-A617 HydrophobicContact CE2-CB 4.24Å; F590-A617 HydrophobicContact CZ-CB 3.91Å; F590-I618 HydrophobicContact CE2-CG1 3.83Å; F590-I618 HydrophobicContact CZ-CG1 3.89Å; F590-F629 HydrophobicContact CD1-CE1 4.08Å; F590-F629 HydrophobicContact CD1-CZ 4.45Å; F590-F629 AromaticContact CE1-CE1 3.82Å; F590-F629 HydrophobicContact CE1-CE1 3.82Å; F590-F629 AromaticContact CE1-CZ 3.74Å; F590-F629 HydrophobicContact CE1-CZ 3.74Å; F590-F629 HydrophobicContact CZ-CE1 4.27Å; F590-F629 AromaticContact CZ-CZ 3.97Å; F590-F629 HydrophobicContact CZ-CZ 3.97Å; F590-F629 VanDerWaalsContact O-CE1 3.26Å; F590-F629 WeakPolarHBondContact O-CE1 3.44Å |
| 591 | A | 94.6 | Very high | 95.8 | Very high | 19 Ų | 19 | 63.6 Ų | 63.6 | 16% | 0.157 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.1 | -28.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L585 C587 D588 G593 | L585-A591 HydrophobicContact CD2-CB 4.12Å; C587-A591 WeakPolarHBondContact O-CB 3.39Å; C587-A591 PolarHBondContact O-N 3.3Å; D588-A591 PolarHBondContact O-N 3.31Å; A591-G593 VanDerWaalsContact C-N 3.32Å |
| 592 | N | 92.8 | Very high | 95.8 | Very high | 100 Ų | 100 | 64 Ų | 64 | 54% | 0.535 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -5 | 171.1 | -67.1 | -41.6 | 0 | 0 | 0 | 113.6 | D588 C589 F590 E594 | D588-N592 WeakPolarHBondContact O-CB 3.34Å; D588-N592 VanDerWaalsContact O-CG 3.27Å; D588-N592 PolarHBondContact O-N 2.93Å; D588-N592 PolarHBondContact O-ND2 2.98Å; C589-N592 PolarHBondContact O-N 3.15Å; F590-N592 PolarHBondContact O-N 3.07Å; N592-E594 HydrophobicContact CB-CG 4.13Å; N592-E594 PolarHBondContact O-N 2.91Å |
| 593 | G | 93.8 | Very high | 95.7 | Very high | 35 Ų | 35 | 69.7 Ų | 69.7 | 36% | 0.361 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 0.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | C589 F590 A591 R614 | C589-G593 PolarHBondContact O-N 3.31Å; F590-G593 WeakPolarHBondContact O-CA 3.17Å; F590-G593 PolarHBondContact O-N 2.99Å; A591-G593 VanDerWaalsContact C-N 3.32Å; G593-R614 PolarHBondContact O-NH2 3.05Å |
| 594 | E | 94.4 | Very high | 95.7 | Very high | 70 Ų | 70 | 69.9 Ų | 69.9 | 33% | 0.327 | 37% | 0.368 | S | S | . | . | | | trans | -79.5 | 150.5 | -179.8 | -63.9 | 175.7 | 179.4 | 0 | 0 | 110.5 | R572 C589 N592 N606 | R572-E594 IonicContact CZ-OE1 3.11Å; R572-E594 IonicContact CZ-OE2 3.21Å; R572-E594 IonicContact NE-OE1 2.66Å; R572-E594 PolarHBondContact NE-OE1 3.42Å; R572-E594 IonicContact NE-OE2 2.82Å; R572-E594 PolarHBondContact NE-OE2 3.33Å; R572-E594 IonicContact NH2-OE1 3.43Å; R572-E594 PolarHBondContact NH2-OE1 2.87Å; R572-E594 IonicContact NH2-OE2 2.78Å; C589-E594 CarbonylContact C-O 2.97Å; C589-E594 PolarHBondContact O-N 2.92Å; C589-E594 VanDerWaalsContact O-O 3.09Å; N592-E594 HydrophobicContact CB-CG 4.13Å; N592-E594 PolarHBondContact O-N 2.91Å; E594-N606 PolarHBondContact O-ND2 3.03Å |
| 595 | F | 96.8 | Very high | 95.8 | Very high | 80 Ų | 80 | 68 Ų | 68 | 35% | 0.351 | 36% | 0.36 | S | S | . | . | | | trans | -70.6 | 156.9 | 166.4 | -68.3 | -79.2 | 0 | 0 | 0 | 110.3 | N597 N607 L608 R614 | F595-N597 PolarHBondContact O-N 2.83Å; F595-N607 WeakPolarHBondContact CE1-O 3.07Å; F595-L608 HydrophobicContact CE1-CD2 3.98Å; F595-L608 HydrophobicContact CE1-CG 4.38Å; F595-L608 HydrophobicContact CE2-CD2 4.04Å; F595-L608 HydrophobicContact CZ-CD2 3.52Å; F595-L608 HydrophobicContact CZ-CG 4.31Å; F595-R614 VanDerWaalsContact CE1-CD 3.46Å; F595-R614 VanDerWaalsContact CE1-NE 3.31Å |
| 596 | C | 97.1 | Very high | 95.9 | Very high | 23 Ų | 23 | 64.4 Ų | 64.4 | 16% | 0.155 | 34% | 0.341 | C | S | . | . | | | trans | -76.8 | 112.2 | 172 | -75.3 | 0 | 0 | 0 | 0 | 109.8 | C582 C589 C599 C604 N606 | C582-C596 VanDerWaalsContact SG-SG 3.65Å; C589-C596 VanDerWaalsContact CB-SG 3.55Å; C596-C599 HydrophobicContact CB-CB 4.22Å; C596-C604 VanDerWaalsContact CB-SG 3.58Å; C596-N606 HydrophobicContact CB-CB 4.5Å; C596-N606 PolarHBondContact N-ND2 3.4Å; C596-N606 PolarHBondContact N-O 2.81Å; C596-N606 PolarHBondContact SG-ND2 2.67Å |
| 597 | N | 95.8 | Very high | 96 | Very high | 121 Ų | 121 | 56.7 Ų | 56.7 | 65% | 0.647 | 31% | 0.313 | S | S | * | . | | | trans | -113.9 | 139.3 | 173 | -166.2 | 11.2 | 0 | 0 | 0 | 110.4 | F595 C599 | F595-N597 PolarHBondContact O-N 2.83Å; N597-C599 PolarHBondContact O-N 2.88Å; N597-C599 VanDerWaalsContact O-N 3.09Å; N597-C599 PolarHBondContact O-SG 3.33Å |
| 598 | N | 94.6 | Very high | 96 | Very high | 143 Ų | 143 | 62.4 Ų | 62.4 | 77% | 0.765 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 40.9 | 43.3 | -176.1 | -56.2 | 107.1 | 0 | 0 | 0 | 114.5 | P574 | P574-N598 WeakPolarHBondContact CB-O 3.44Š|
| 599 | C | 96.8 | Very high | 96.1 | Very high | 30 Ų | 30 | 63.8 Ų | 63.8 | 20% | 0.203 | 35% | 0.346 | C | S | . | . | | | trans | -100.9 | 147.3 | -173.4 | -76.4 | 0 | 0 | 0 | 0 | 113.8 | C575 C596 N597 C601 | C575-C599 PolarHBondContact N-SG 2.94Å; C575-C599 VanDerWaalsContact N-SG 3.39Å; C596-C599 HydrophobicContact CB-CB 4.22Å; N597-C599 PolarHBondContact O-N 2.88Å; N597-C599 VanDerWaalsContact O-N 3.09Å; N597-C599 PolarHBondContact O-SG 3.33Å; C599-C601 HydrophobicContact CB-CB 4.41Å; C599-C601 WeakPolarHBondContact CB-SG 3.26Å; C599-C601 PolarHBondContact O-N 3.26Å |
| 600 | N | 96.7 | Very high | 96.2 | Very high | 96 Ų | 96 | 65.8 Ų | 65.8 | 51% | 0.513 | 35% | 0.354 | S | S | . | . | | | trans | -80.7 | 31.3 | 177.1 | -57.3 | -10.6 | 0 | 0 | 0 | 112.8 | C575 N576 | C575-N600 CarbonylContact O-C 3.48Å; C575-N600 WeakPolarHBondContact O-CA 3.37Å; C575-N600 PolarHBondContact O-N 3.19Å; N576-N600 VanDerWaalsContact OD1-CB 3.24Å; N576-N600 WeakPolarHBondContact OD1-CB 3.09Å; N576-N600 PolarHBondContact OD1-ND2 2.9Å |
| 601 | C | 97.4 | Very high | 96.2 | Very high | 22 Ų | 22 | 70.2 Ų | 70.2 | 15% | 0.149 | 38% | 0.375 | C | S | . | . | | | trans | -96.2 | 128.7 | -171.3 | 50.8 | 0 | 0 | 0 | 0 | 112.4 | C575 C577 C582 C599 C604 | C575-C601 PolarHBondContact O-N 3.5Å; C577-C601 HydrophobicContact CB-CB 3.89Å; C577-C601 CarbonylContact O-C 3.37Å; C577-C601 VanDerWaalsContact O-CA 3.31Å; C577-C601 WeakPolarHBondContact O-CA 3.32Å; C582-C601 VanDerWaalsContact SG-CB 3.5Å; C599-C601 HydrophobicContact CB-CB 4.41Å; C599-C601 WeakPolarHBondContact CB-SG 3.26Å; C599-C601 PolarHBondContact O-N 3.26Å; C601-C604 HydrophobicContact CB-CB 4.43Å; C601-C604 VanDerWaalsContact SG-CB 3.57Å; C601-C604 VanDerWaalsContact SG-SG 3.65Å |
| 602 | N | 97.1 | Very high | 96.3 | Very high | 95 Ų | 95 | 74.4 Ų | 74.4 | 51% | 0.508 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 141 | 176.9 | -69.8 | -102.9 | 0 | 0 | 0 | 110.1 | C577 T578 C604 | C577-N602 PolarHBondContact O-N 2.84Å; T578-N602 HydrophobicContact CG2-CB 4.45Å; N602-C604 VanDerWaalsContact C-N 3.34Å; N602-C604 PolarHBondContact O-N 3.33Å |
| 603 | N | 96.2 | Very high | 96.6 | Very high | 119 Ų | 119 | 73.6 Ų | 73.6 | 64% | 0.636 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 50.9 | -177.5 | -59.3 | 90.9 | 0 | 0 | 0 | 112.9 | Q581 F605 | Q581-N603 VanDerWaalsContact CA-O 3.26Å; Q581-N603 WeakPolarHBondContact CA-O 3.37Å; Q581-N603 WeakPolarHBondContact CB-O 3.46Å; N603-F605 PolarHBondContact O-N 3.45Å |
| 604 | C | 97.9 | Very high | 96.8 | Very high | 24 Ų | 24 | 73 Ų | 73 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | | | trans | -74.1 | 119.5 | -179 | -170.8 | 0 | 0 | 0 | 0 | 111.9 | C582 C596 C601 N602 N606 N607 | C582-C604 VanDerWaalsContact SG-SG 3.67Å; C596-C604 VanDerWaalsContact CB-SG 3.58Å; C601-C604 HydrophobicContact CB-CB 4.43Å; C601-C604 VanDerWaalsContact SG-CB 3.57Å; C601-C604 VanDerWaalsContact SG-SG 3.65Å; N602-C604 VanDerWaalsContact C-N 3.34Å; N602-C604 PolarHBondContact O-N 3.33Å; C604-N606 PolarHBondContact SG-N 3.41Å; C604-N607 PolarHBondContact O-ND2 2.88Å |
| 605 | F | 97.9 | Very high | 96.9 | Very high | 53 Ų | 53 | 74.1 Ų | 74.1 | 23% | 0.232 | 39% | 0.386 | C | S | . | . | | | trans | -108.5 | 13.4 | 169.9 | -65.4 | -5.7 | 0 | 0 | 0 | 111.6 | Q581 L583 N603 N607 H610 E613 | Q581-F605 HydrophobicContact CB-CB 4.5Å; Q581-F605 HydrophobicContact CB-CD2 4.33Å; Q581-F605 HydrophobicContact CB-CG 4.39Å; Q581-F605 PolarHBondContact O-N 3.48Å; L583-F605 HydrophobicContact CD1-CB 3.69Å; L583-F605 HydrophobicContact CD1-CD2 4.02Å; L583-F605 HydrophobicContact CD1-CG 4.39Å; L583-F605 HydrophobicContact CD2-CB 4.18Å; L583-F605 WeakPolarHBondContact CD2-O 3.48Å; L583-F605 HydrophobicContact CG-CB 3.83Å; N603-F605 PolarHBondContact O-N 3.45Å; F605-N607 VanDerWaalsContact C-N 3.29Å; F605-N607 PolarHBondContact O-N 3.14Å; F605-H610 HydrophobicContact CB-CB 3.68Å; F605-H610 HydrophobicContact CD1-CB 4.33Å; F605-H610 AromaticContact CD1-CD2 3.37Å; F605-H610 WeakPolarHBondContact CD1-CD2 3.49Å; F605-H610 AromaticContact CD1-CE1 3.61Å; F605-H610 AromaticContact CD1-CG 3.54Å; F605-H610 AromaticContact CD1-ND1 3.67Å; F605-H610 AromaticContact CD1-NE2 3.41Å; F605-H610 WeakPolarHBondContact CD1-NE2 3.19Å; F605-H610 AromaticContact CE1-CD2 3.56Å; F605-H610 AromaticContact CE1-CE1 3.89Å; F605-H610 AromaticContact CE1-NE2 3.32Å; F605-H610 VanDerWaalsContact CE1-NE2 3.32Å; F605-H610 WeakPolarHBondContact CE1-NE2 3.26Å; F605-H610 HydrophobicContact CG-CB 4.02Å; F605-H610 AromaticContact CG-CD2 3.75Å; F605-H610 AromaticContact CG-CG 3.73Å; F605-E613 HydrophobicContact CD2-CB 4.46Å; F605-E613 HydrophobicContact CD2-CG 4.34Å |
| 606 | N | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -95.3 | 55.8 | 172.8 | -174.5 | 40.9 | 0 | 0 | 0 | 110.8 | C582 E594 C596 C604 R614 | C582-N606 HydrophobicContact CB-CB 3.41Å; C582-N606 VanDerWaalsContact CB-CB 3.41Å; E594-N606 PolarHBondContact O-ND2 3.03Å; C596-N606 HydrophobicContact CB-CB 4.5Å; C596-N606 PolarHBondContact N-ND2 3.4Å; C596-N606 PolarHBondContact N-O 2.81Å; C596-N606 PolarHBondContact SG-ND2 2.67Å; C604-N606 PolarHBondContact SG-N 3.41Å; N606-R614 PolarHBondContact OD1-NE 3.33Å |
| 607 | N | 96.6 | Very high | 96.9 | Very high | 37 Ų | 37 | 77.1 Ų | 77.1 | 20% | 0.198 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -140.1 | -176.7 | -176.9 | 56 | -3.7 | 0 | 0 | 0 | 109.5 | F595 C604 F605 E609 H610 | F595-N607 WeakPolarHBondContact CE1-O 3.07Å; C604-N607 PolarHBondContact O-ND2 2.88Å; F605-N607 VanDerWaalsContact C-N 3.29Å; F605-N607 PolarHBondContact O-N 3.14Å; N607-E609 WeakPolarHBondContact CB-OE2 3.45Å; N607-E609 PolarHBondContact ND2-OE2 3.06Å; N607-H610 PolarHBondContact OD1-ND1 3.27Å |
| 608 | L | 95.8 | Very high | 97 | Very high | 119 Ų | 119 | 73.1 Ų | 73.1 | 62% | 0.623 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -78.7 | -28.8 | -176.7 | -71 | 169.8 | 0 | 0 | 0 | 111.9 | F595 H610 E611 | F595-L608 HydrophobicContact CE1-CD2 3.98Å; F595-L608 HydrophobicContact CE1-CG 4.38Å; F595-L608 HydrophobicContact CE2-CD2 4.04Å; F595-L608 HydrophobicContact CZ-CD2 3.52Å; F595-L608 HydrophobicContact CZ-CG 4.31Å; L608-H610 VanDerWaalsContact C-N 3.28Å; L608-H610 PolarHBondContact O-N 2.71Å; L608-E611 PolarHBondContact O-N 3.4Å |
| 609 | E | 96.8 | Very high | 97.1 | Very high | 141 Ų | 141 | 73.8 Ų | 73.8 | 66% | 0.659 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -30.1 | -177 | -58.8 | 73 | -159.8 | 0 | 0 | 112.3 | N607 | N607-E609 WeakPolarHBondContact CB-OE2 3.45Å; N607-E609 PolarHBondContact ND2-OE2 3.06Å |
| 610 | H | 96.7 | Very high | 97.1 | Very high | 54 Ų | 54 | 75 Ų | 75 | 25% | 0.25 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 36.6 | 179.8 | -53.3 | 85.4 | 0 | 0 | 0 | 111.7 | F605 N607 L608 T612 E613 R614 | F605-H610 HydrophobicContact CB-CB 3.68Å; F605-H610 HydrophobicContact CD1-CB 4.33Å; F605-H610 AromaticContact CD1-CD2 3.37Å; F605-H610 WeakPolarHBondContact CD1-CD2 3.49Å; F605-H610 AromaticContact CD1-CE1 3.61Å; F605-H610 AromaticContact CD1-CG 3.54Å; F605-H610 AromaticContact CD1-ND1 3.67Å; F605-H610 AromaticContact CD1-NE2 3.41Å; F605-H610 WeakPolarHBondContact CD1-NE2 3.19Å; F605-H610 AromaticContact CE1-CD2 3.56Å; F605-H610 AromaticContact CE1-CE1 3.89Å; F605-H610 AromaticContact CE1-NE2 3.32Å; F605-H610 VanDerWaalsContact CE1-NE2 3.32Å; F605-H610 WeakPolarHBondContact CE1-NE2 3.26Å; F605-H610 HydrophobicContact CG-CB 4.02Å; F605-H610 AromaticContact CG-CD2 3.75Å; F605-H610 AromaticContact CG-CG 3.73Å; N607-H610 PolarHBondContact OD1-ND1 3.27Å; L608-H610 VanDerWaalsContact C-N 3.28Å; L608-H610 PolarHBondContact O-N 2.71Å; H610-T612 PolarHBondContact O-N 2.96Å; H610-E613 HydrophobicContact CB-CB 4.42Å; H610-E613 PolarHBondContact O-N 2.98Å; H610-R614 VanDerWaalsContact O-CB 3.31Å; H610-R614 WeakPolarHBondContact O-CB 3.49Å; H610-R614 PolarHBondContact O-N 2.96Å |
| 611 | E | 96.8 | Very high | 97.1 | Very high | 94 Ų | 94 | 71.5 Ų | 71.5 | 44% | 0.439 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.5 | -35.4 | -177.8 | 179.2 | 164.6 | -119 | 0 | 0 | 112.6 | L608 R614 L615 | L608-E611 PolarHBondContact O-N 3.4Å; E611-R614 PolarHBondContact O-N 3.21Å; E611-L615 HydrophobicContact CG-CD1 3.7Å; E611-L615 HydrophobicContact CG-CG 3.94Å; E611-L615 WeakPolarHBondContact O-CB 3.39Å; E611-L615 VanDerWaalsContact O-CG 3.28Å; E611-L615 WeakPolarHBondContact O-CG 3.46Å; E611-L615 PolarHBondContact O-N 3.04Å |
| 612 | T | 97.3 | Very high | 97 | Very high | 107 Ų | 107 | 73.9 Ų | 73.9 | 66% | 0.656 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.9 | -48.6 | 179.2 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | H610 R614 K616 | H610-T612 PolarHBondContact O-N 2.96Å; T612-R614 VanDerWaalsContact C-N 3.32Å; T612-K616 WeakPolarHBondContact O-CB 3.29Å; T612-K616 PolarHBondContact O-N 3.47Å |
| 613 | E | 97.6 | Very high | 96.9 | Very high | 83 Ų | 83 | 75.8 Ų | 75.8 | 39% | 0.388 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 175.8 | -67.6 | 63.2 | -144.6 | 0 | 0 | 110.6 | L583 F605 H610 K616 A617 | L583-E613 HydrophobicContact CD1-CB 3.79Å; F605-E613 HydrophobicContact CD2-CB 4.46Å; F605-E613 HydrophobicContact CD2-CG 4.34Å; H610-E613 HydrophobicContact CB-CB 4.42Å; H610-E613 PolarHBondContact O-N 2.98Å; E613-K616 PolarHBondContact O-N 2.91Å; E613-A617 WeakPolarHBondContact O-CB 3.31Å; E613-A617 PolarHBondContact O-N 3.24Å |
| 614 | R | 97.9 | Very high | 96.9 | Very high | 21 Ų | 21 | 79.9 Ų | 79.9 | 8% | 0.079 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 177.8 | -171.2 | -176 | -178.3 | -102.4 | -1.8 | 112.3 | L583 F590 G593 F595 N606 H610 E611 T612 A617 I618 | L583-R614 HydrophobicContact CD2-CB 4.01Å; L583-R614 HydrophobicContact CD2-CG 4.18Å; F590-R614 HydrophobicContact CE2-CG 4.42Å; G593-R614 PolarHBondContact O-NH2 3.05Å; F595-R614 VanDerWaalsContact CE1-CD 3.46Å; F595-R614 VanDerWaalsContact CE1-NE 3.31Å; N606-R614 PolarHBondContact OD1-NE 3.33Å; H610-R614 VanDerWaalsContact O-CB 3.31Å; H610-R614 WeakPolarHBondContact O-CB 3.49Å; H610-R614 PolarHBondContact O-N 2.96Å; E611-R614 PolarHBondContact O-N 3.21Å; T612-R614 VanDerWaalsContact C-N 3.32Å; R614-A617 PolarHBondContact O-N 2.96Å; R614-I618 HydrophobicContact CG-CD1 4Å; R614-I618 WeakPolarHBondContact O-CB 3.45Å; R614-I618 VanDerWaalsContact O-CG1 3.27Å; R614-I618 WeakPolarHBondContact O-CG1 3.38Å; R614-I618 PolarHBondContact O-N 2.95Å |
| 615 | L | 96.9 | Very high | 96.6 | Very high | 94 Ų | 94 | 81.3 Ų | 81.3 | 49% | 0.492 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 176.5 | -72.5 | 173.4 | 0 | 0 | 0 | 111.4 | E611 I618 K619 | E611-L615 HydrophobicContact CG-CD1 3.7Å; E611-L615 HydrophobicContact CG-CG 3.94Å; E611-L615 WeakPolarHBondContact O-CB 3.39Å; E611-L615 VanDerWaalsContact O-CG 3.28Å; E611-L615 WeakPolarHBondContact O-CG 3.46Å; E611-L615 PolarHBondContact O-N 3.04Å; L615-I618 PolarHBondContact O-N 3.1Å; L615-K619 WeakPolarHBondContact O-CB 3.47Å; L615-K619 PolarHBondContact O-N 3.33Å |
| 616 | K | 97.9 | Very high | 96.3 | Very high | 152 Ų | 152 | 83.4 Ų | 83.4 | 66% | 0.661 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -59.7 | -46 | 173.1 | -173.2 | 176.9 | -177.6 | 177.3 | 0 | 111.3 | T612 E613 K619 T620 | T612-K616 WeakPolarHBondContact O-CB 3.29Å; T612-K616 PolarHBondContact O-N 3.47Å; E613-K616 PolarHBondContact O-N 2.91Å; K616-K619 PolarHBondContact O-N 3.47Å; K616-T620 PolarHBondContact O-N 3.06Å; K616-T620 PolarHBondContact O-OG1 3.1Å |
| 617 | A | 97.5 | Very high | 95.9 | Very high | 15 Ų | 15 | 88.1 Ų | 88.1 | 12% | 0.124 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65 | -43.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L583 F590 E613 R614 K619 T620 C621 | L583-A617 HydrophobicContact CB-CB 3.85Å; L583-A617 HydrophobicContact CD1-CB 4.39Å; L583-A617 HydrophobicContact CD2-CB 4.18Å; L583-A617 HydrophobicContact CG-CB 4.38Å; F590-A617 HydrophobicContact CE2-CB 4.24Å; F590-A617 HydrophobicContact CZ-CB 3.91Å; E613-A617 WeakPolarHBondContact O-CB 3.31Å; E613-A617 PolarHBondContact O-N 3.24Å; R614-A617 PolarHBondContact O-N 2.96Å; A617-K619 VanDerWaalsContact C-N 3.35Å; A617-K619 PolarHBondContact O-N 3.39Å; A617-T620 PolarHBondContact O-N 2.86Å; A617-C621 WeakPolarHBondContact O-CB 3.42Å; A617-C621 PolarHBondContact O-N 2.74Å; A617-C621 PolarHBondContact O-SG 3.08Å |
| 618 | I | 96.9 | Very high | 95.6 | Very high | 36 Ų | 36 | 87 Ų | 87 | 19% | 0.185 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 175.1 | -71.9 | 165.8 | 0 | 0 | 0 | 110.3 | F590 R614 L615 C621 L622 F629 | F590-I618 HydrophobicContact CE2-CG1 3.83Å; F590-I618 HydrophobicContact CZ-CG1 3.89Å; R614-I618 HydrophobicContact CG-CD1 4Å; R614-I618 WeakPolarHBondContact O-CB 3.45Å; R614-I618 VanDerWaalsContact O-CG1 3.27Å; R614-I618 WeakPolarHBondContact O-CG1 3.38Å; R614-I618 PolarHBondContact O-N 2.95Å; L615-I618 PolarHBondContact O-N 3.1Å; I618-C621 PolarHBondContact O-N 2.99Å; I618-L622 HydrophobicContact CG2-CD1 4.06Å; I618-L622 PolarHBondContact O-N 3.02Å; I618-F629 HydrophobicContact CB-CE2 4.35Å; I618-F629 HydrophobicContact CB-CZ 4.32Å; I618-F629 HydrophobicContact CG1-CE2 4.48Å; I618-F629 HydrophobicContact CG1-CZ 4.03Å; I618-F629 HydrophobicContact CG2-CD2 4.49Å; I618-F629 HydrophobicContact CG2-CE2 3.9Å; I618-F629 HydrophobicContact CG2-CZ 4.29Å |
| 619 | K | 96.7 | Very high | 95.4 | Very high | 157 Ų | 157 | 84 Ų | 84 | 68% | 0.683 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -57.8 | -50 | 175.6 | -174.9 | 179.5 | 178.7 | -178.8 | 0 | 111.4 | L615 K616 A617 C621 L622 D623 | L615-K619 WeakPolarHBondContact O-CB 3.47Å; L615-K619 PolarHBondContact O-N 3.33Å; K616-K619 PolarHBondContact O-N 3.47Å; A617-K619 VanDerWaalsContact C-N 3.35Å; A617-K619 PolarHBondContact O-N 3.39Å; K619-C621 VanDerWaalsContact C-N 3.26Å; K619-C621 PolarHBondContact O-N 3.16Å; K619-L622 PolarHBondContact O-N 3.09Å; K619-D623 VanDerWaalsContact O-CB 3.27Å; K619-D623 WeakPolarHBondContact O-CB 3.48Å; K619-D623 PolarHBondContact O-N 2.75Å |
| 620 | T | 96.9 | Very high | 95 | Very high | 57 Ų | 57 | 82.6 Ų | 82.6 | 35% | 0.35 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.2 | -27.7 | 178 | -58.3 | 0 | 0 | 0 | 0 | 113.3 | K616 A617 R624 | K616-T620 PolarHBondContact O-N 3.06Å; K616-T620 PolarHBondContact O-OG1 3.1Å; A617-T620 PolarHBondContact O-N 2.86Å; T620-R624 WeakPolarHBondContact O-CD 3.34Å; T620-R624 WeakPolarHBondContact O-CG 3.47Å |
| 621 | C | 95.9 | Very high | 94.4 | Very high | 21 Ų | 21 | 85.1 Ų | 85.1 | 14% | 0.142 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -75 | -41.1 | 173.2 | -76.2 | 0 | 0 | 0 | 0 | 112.8 | A617 I618 K619 N625 A628 F629 | A617-C621 WeakPolarHBondContact O-CB 3.42Å; A617-C621 PolarHBondContact O-N 2.74Å; A617-C621 PolarHBondContact O-SG 3.08Å; I618-C621 PolarHBondContact O-N 2.99Å; K619-C621 VanDerWaalsContact C-N 3.26Å; K619-C621 PolarHBondContact O-N 3.16Å; C621-N625 PolarHBondContact O-N 3.32Å; C621-N625 VanDerWaalsContact O-N 3.12Å; C621-A628 HydrophobicContact CB-CB 4.42Å; C621-F629 HydrophobicContact CB-CE2 3.68Å; C621-F629 HydrophobicContact CB-CZ 3.68Å |
| 622 | L | 95.1 | Very high | 93.7 | Very high | 72 Ų | 72 | 86.1 Ų | 86.1 | 38% | 0.377 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.5 | -39.6 | 176.3 | -78.1 | 169.7 | 0 | 0 | 0 | 112.8 | I618 K619 R624 N625 P626 F629 | I618-L622 HydrophobicContact CG2-CD1 4.06Å; I618-L622 PolarHBondContact O-N 3.02Å; K619-L622 PolarHBondContact O-N 3.09Å; L622-R624 VanDerWaalsContact C-N 3.29Å; L622-R624 PolarHBondContact O-N 3.27Å; L622-N625 WeakPolarHBondContact CA-O 3.31Å; L622-N625 CarbonylContact O-C 3.33Å; L622-N625 PolarHBondContact O-N 3.15Å; L622-N625 VanDerWaalsContact O-N 3.14Å; L622-P626 WeakPolarHBondContact O-CA 3.41Å; L622-P626 VanDerWaalsContact O-N 3.1Å; L622-F629 HydrophobicContact CD1-CD2 4.45Å; L622-F629 HydrophobicContact CD2-CD2 3.87Å; L622-F629 HydrophobicContact CD2-CE2 4.44Å; L622-F629 HydrophobicContact CG-CD2 3.86Å; L622-F629 HydrophobicContact CG-CE2 3.96Å |
| 623 | D | 96.3 | Very high | 93 | Very high | 136 Ų | 136 | 83.3 Ų | 83.3 | 73% | 0.727 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -57.7 | -41.2 | 176.1 | -177 | 74.1 | 0 | 0 | 0 | 112 | K619 | K619-D623 VanDerWaalsContact O-CB 3.27Å; K619-D623 WeakPolarHBondContact O-CB 3.48Å; K619-D623 PolarHBondContact O-N 2.75Å |
| 624 | R | 95.3 | Very high | 91.8 | Very high | 204 Ų | 204 | 80.5 Ų | 80.5 | 77% | 0.77 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -78.2 | -23.2 | 176 | -67.5 | 172 | 178.8 | 178.5 | -1.2 | 114.2 | T620 L622 | T620-R624 WeakPolarHBondContact O-CD 3.34Å; T620-R624 WeakPolarHBondContact O-CG 3.47Å; L622-R624 VanDerWaalsContact C-N 3.29Å; L622-R624 PolarHBondContact O-N 3.27Å |
| 625 | N | 91.3 | Very high | 90.1 | Very high | 54 Ų | 54 | 87.9 Ų | 87.9 | 29% | 0.289 | 44% | 0.438 | S | S | . | . | | | trans | -161.8 | 107.3 | 177.3 | 174.4 | 22.5 | 0 | 0 | 0 | 110.1 | C621 L622 E627 A628 | C621-N625 PolarHBondContact O-N 3.32Å; C621-N625 VanDerWaalsContact O-N 3.12Å; L622-N625 WeakPolarHBondContact CA-O 3.31Å; L622-N625 CarbonylContact O-C 3.33Å; L622-N625 PolarHBondContact O-N 3.15Å; L622-N625 VanDerWaalsContact O-N 3.14Å; N625-E627 PolarHBondContact O-N 3.49Å; N625-E627 PolarHBondContact OD1-N 2.93Å; N625-A628 HydrophobicContact CB-CB 4.25Å; N625-A628 WeakPolarHBondContact ND2-CA 3.24Å; N625-A628 PolarHBondContact ND2-N 2.92Å; N625-A628 WeakPolarHBondContact O-CB 3.47Å; N625-A628 PolarHBondContact O-N 2.86Å |
| 626 | P | 92.5 | Very high | 88.1 | Confident | 97 Ų | 97 | 85.2 Ų | 85.2 | 63% | 0.63 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -7.6 | -179 | 28 | -35.9 | 0 | 0 | 0 | 113.4 | L622 | L622-P626 WeakPolarHBondContact O-CA 3.41Å; L622-P626 VanDerWaalsContact O-N 3.1Å |
| 627 | E | 89.2 | Confident | 86 | Confident | 99 Ų | 99 | 86.5 Ų | 86.5 | 46% | 0.463 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 9.7 | 173.5 | -50.3 | -145 | 122.5 | 0 | 0 | 113.4 | N625 F629 K630 | N625-E627 PolarHBondContact O-N 3.49Å; N625-E627 PolarHBondContact OD1-N 2.93Å; E627-F629 VanDerWaalsContact C-N 3.25Å; E627-F629 PolarHBondContact O-N 2.74Å; E627-F629 VanDerWaalsContact O-N 3.15Å; E627-K630 HydrophobicContact CB-CB 4.39Å; E627-K630 HydrophobicContact CB-CD 3.97Å; E627-K630 HydrophobicContact CB-CG 4.31Å; E627-K630 HydrophobicContact CG-CD 3.93Å; E627-K630 PolarHBondContact O-N 3.43Å; E627-K630 WeakPolarHBondContact OE1-CD 3.34Å; E627-K630 WeakPolarHBondContact OE1-CE 3.27Å; E627-K630 IonicContact OE1-NZ 2.66Å; E627-K630 PolarHBondContact OE1-NZ 2.78Å |
| 628 | A | 90.9 | Very high | 83.5 | Confident | 15 Ų | 15 | 95.7 Ų | 95.7 | 12% | 0.124 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -36.2 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | L585 C621 N625 | L585-A628 HydrophobicContact CD1-CB 4.21Å; C621-A628 HydrophobicContact CB-CB 4.42Å; N625-A628 HydrophobicContact CB-CB 4.25Å; N625-A628 WeakPolarHBondContact ND2-CA 3.24Å; N625-A628 PolarHBondContact ND2-N 2.92Å; N625-A628 WeakPolarHBondContact O-CB 3.47Å; N625-A628 PolarHBondContact O-N 2.86Å |
| 629 | F | 91.5 | Very high | 81.6 | Confident | 54 Ų | 54 | 97.9 Ų | 97.9 | 24% | 0.237 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 13.9 | -179.6 | -54.7 | -80.3 | 0 | 0 | 0 | 112.7 | L585 F590 I618 C621 L622 E627 | L585-F629 HydrophobicContact CD2-CD1 4.39Å; L585-F629 HydrophobicContact CD2-CE1 3.86Å; L585-F629 HydrophobicContact CD2-CZ 4.24Å; F590-F629 HydrophobicContact CD1-CE1 4.08Å; F590-F629 HydrophobicContact CD1-CZ 4.45Å; F590-F629 AromaticContact CE1-CE1 3.82Å; F590-F629 HydrophobicContact CE1-CE1 3.82Å; F590-F629 AromaticContact CE1-CZ 3.74Å; F590-F629 HydrophobicContact CE1-CZ 3.74Å; F590-F629 HydrophobicContact CZ-CE1 4.27Å; F590-F629 AromaticContact CZ-CZ 3.97Å; F590-F629 HydrophobicContact CZ-CZ 3.97Å; F590-F629 VanDerWaalsContact O-CE1 3.26Å; F590-F629 WeakPolarHBondContact O-CE1 3.44Å; I618-F629 HydrophobicContact CB-CE2 4.35Å; I618-F629 HydrophobicContact CB-CZ 4.32Å; I618-F629 HydrophobicContact CG1-CE2 4.48Å; I618-F629 HydrophobicContact CG1-CZ 4.03Å; I618-F629 HydrophobicContact CG2-CD2 4.49Å; I618-F629 HydrophobicContact CG2-CE2 3.9Å; I618-F629 HydrophobicContact CG2-CZ 4.29Å; C621-F629 HydrophobicContact CB-CE2 3.68Å; C621-F629 HydrophobicContact CB-CZ 3.68Å; L622-F629 HydrophobicContact CD1-CD2 4.45Å; L622-F629 HydrophobicContact CD2-CD2 3.87Å; L622-F629 HydrophobicContact CD2-CE2 4.44Å; L622-F629 HydrophobicContact CG-CD2 3.86Å; L622-F629 HydrophobicContact CG-CE2 3.96Å; E627-F629 VanDerWaalsContact C-N 3.25Å; E627-F629 PolarHBondContact O-N 2.74Å; E627-F629 VanDerWaalsContact O-N 3.15Å |
| 630 | K | 86.9 | Confident | 79.5 | Confident | 112 Ų | 112 | 96.7 Ų | 96.7 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -81.4 | 147.8 | 168.6 | -65.6 | -173.6 | -168.2 | 178.7 | 0 | 109.3 | E627 K632 | E627-K630 HydrophobicContact CB-CB 4.39Å; E627-K630 HydrophobicContact CB-CD 3.97Å; E627-K630 HydrophobicContact CB-CG 4.31Å; E627-K630 HydrophobicContact CG-CD 3.93Å; E627-K630 PolarHBondContact O-N 3.43Å; E627-K630 WeakPolarHBondContact OE1-CD 3.34Å; E627-K630 WeakPolarHBondContact OE1-CE 3.27Å; E627-K630 IonicContact OE1-NZ 2.66Å; E627-K630 PolarHBondContact OE1-NZ 2.78Å; K630-K632 PolarHBondContact O-N 3.17Å; K630-K632 VanDerWaalsContact O-N 3.14Å |
| 631 | P | 85 | Confident | 77.5 | Confident | 107 Ų | 107 | 100.1 Ų | 100.1 | 70% | 0.695 | 53% | 0.534 | S | S | * | . | | | trans | -54.4 | 120.5 | 175.1 | -27.3 | 35.6 | 0 | 0 | 0 | 112.1 | I633 | P631-I633 PolarHBondContact O-N 2.92Å; P631-I633 VanDerWaalsContact O-N 3.14Å |
| 632 | K | 83.2 | Confident | 76 | Confident | 115 Ų | 115 | 100.8 Ų | 100.8 | 50% | 0.5 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -60.1 | -23.9 | -177.2 | -65.2 | -175.3 | -178.5 | 179.9 | 0 | 114.4 | K630 H645 S646 E662 | K630-K632 PolarHBondContact O-N 3.17Å; K630-K632 VanDerWaalsContact O-N 3.14Å; K632-H645 PolarHBondContact O-CD2 3.43Å; K632-S646 PolarHBondContact O-N 3.27Å; K632-S646 PolarHBondContact O-OG 2.95Å; K632-E662 IonicContact NZ-OE1 3.24Å; K632-E662 PolarHBondContact NZ-OE1 3.07Å |
| 633 | I | 82.1 | Confident | 75.3 | Confident | 48 Ų | 48 | 103.4 Ų | 103.4 | 25% | 0.246 | 54% | 0.541 | C | S | . | . | B | Isolated β-bridge | trans | -99.7 | 121.1 | 178.2 | -48.6 | -63 | 0 | 0 | 0 | 107.7 | P631 K635 R643 H645 A666 I668 | P631-I633 PolarHBondContact O-N 2.92Å; P631-I633 VanDerWaalsContact O-N 3.14Å; I633-K635 PolarHBondContact O-N 2.95Å; I633-R643 HydrophobicContact CG2-CB 4.18Å; I633-H645 HydrophobicContact CD1-CB 4.41Å; I633-A666 HydrophobicContact CD1-CB 3.47Å; I633-A666 VanDerWaalsContact CD1-CB 3.47Å; I633-A666 HydrophobicContact CG1-CB 4.04Å; I633-I668 HydrophobicContact CD1-CD1 3.65Å; I633-I668 HydrophobicContact CD1-CG1 4.48Å |
| 634 | G | 71.3 | Confident | 74.6 | Confident | 25 Ų | 25 | 101.9 Ų | 101.9 | 26% | 0.258 | 53% | 0.526 | S | S | . | . | | | trans | -60.1 | 135.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G636 R644 | G634-G636 VanDerWaalsContact C-N 3.32Å; G634-G636 PolarHBondContact O-N 3.35Å; G634-R644 PolarHBondContact N-O 3.15Å |
| 635 | K | 62 | Low | 74.1 | Confident | 175 Ų | 175 | 92.4 Ų | 92.4 | 76% | 0.761 | 49% | 0.49 | S | S | * | . | | | trans | -65.7 | 99.3 | 157.5 | -70.1 | -173.3 | 178.9 | -176.1 | 0 | 106.4 | I633 K637 | I633-K635 PolarHBondContact O-N 2.95Å; K635-K637 PolarHBondContact O-N 2.97Å |
| 636 | G | 56.5 | Low | 73.8 | Confident | 39 Ų | 39 | 93.1 Ų | 93.1 | 40% | 0.402 | 50% | 0.499 | S | S | . | . | | | trans | -53.4 | 137.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | G634 | G634-G636 VanDerWaalsContact C-N 3.32Å; G634-G636 PolarHBondContact O-N 3.35Å |
| 637 | K | 52.7 | Low | 73.6 | Confident | 178 Ų | 178 | 95.8 Ų | 95.8 | 77% | 0.774 | 50% | 0.501 | S | S | * | . | | | trans | -67 | 135.6 | 173.1 | -71 | -177.7 | 178.1 | 179.3 | 0 | 108.1 | K635 G639 E640 | K635-K637 PolarHBondContact O-N 2.97Å; K637-G639 PolarHBondContact O-N 2.96Å; K637-E640 PolarHBondContact O-N 3.46Å |
| 638 | E | 45.8 | Very low | 73.8 | Confident | 208 Ų | 208 | 91.1 Ų | 91.1 | 97% | 0.972 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 110.8 | 176.6 | -170.5 | 165.8 | -156 | 0 | 0 | 109.2 | | |
| 639 | G | 57.4 | Low | 74 | Confident | 83 Ų | 83 | 90.5 Ų | 90.5 | 86% | 0.856 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 119.4 | -17.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | K637 | K637-G639 PolarHBondContact O-N 2.96Š|
| 640 | E | 51.4 | Low | 74.2 | Confident | 132 Ų | 132 | 92.8 Ų | 92.8 | 62% | 0.617 | 49% | 0.489 | S | S | * | . | | | trans | -119.3 | 117 | 174.3 | -162.6 | -179.3 | 161.3 | 0 | 0 | 111.6 | K637 D642 | K637-E640 PolarHBondContact O-N 3.46Å; E640-D642 VanDerWaalsContact C-N 3.34Å; E640-D642 PolarHBondContact O-N 3.14Å; E640-D642 VanDerWaalsContact O-N 3.12Å |
| 641 | S | 54.5 | Low | 74.7 | Confident | 128 Ų | 128 | 88.2 Ų | 88.2 | 90% | 0.895 | 47% | 0.471 | S | S | * | . | | | trans | -71 | -11.6 | -153.3 | -43.5 | 0 | 0 | 0 | 0 | 117.6 | | |
| 642 | D | 65.1 | Low | 75.3 | Confident | 36 Ų | 36 | 90.8 Ų | 90.8 | 19% | 0.193 | 47% | 0.471 | C | S | . | . | | | trans | -108.8 | 114.8 | -166.9 | -166.2 | 3.5 | 0 | 0 | 0 | 113.6 | E640 R644 | E640-D642 VanDerWaalsContact C-N 3.34Å; E640-D642 PolarHBondContact O-N 3.14Å; E640-D642 VanDerWaalsContact O-N 3.12Å; D642-R644 HydrophobicContact CB-CG 3.9Å; D642-R644 PolarHBondContact O-N 3.36Å; D642-R644 WeakPolarHBondContact OD2-CG 3.2Å; D642-R644 IonicContact OD2-CZ 3.44Å; D642-R644 IonicContact OD2-NE 3.82Å; D642-R644 PolarHBondContact OD2-NE 2.81Å; D642-R644 IonicContact OD2-NH1 2.68Å; D642-R644 PolarHBondContact OD2-NH1 3.29Å; D642-R644 IonicContact OD2-NH2 3.48Å |
| 643 | R | 79.7 | Confident | 75.9 | Confident | 126 Ų | 126 | 97 Ų | 97 | 48% | 0.475 | 49% | 0.491 | S | S | . | . | | | trans | -78.6 | 70.3 | 174.5 | -66 | 166.3 | 79.6 | 160.2 | 0.4 | 109.2 | N560 I633 I668 | N560-R643 PolarHBondContact O-NH1 2.95Å; I633-R643 HydrophobicContact CG2-CB 4.18Å; R643-I668 HydrophobicContact CB-CG2 4.2Å; R643-I668 WeakPolarHBondContact O-CD1 3.28Å; R643-I668 VanDerWaalsContact O-CG2 3.31Å; R643-I668 WeakPolarHBondContact O-CG2 3.38Å |
| 644 | R | 82.8 | Confident | 76.5 | Confident | 105 Ų | 105 | 95.4 Ų | 95.4 | 40% | 0.396 | 48% | 0.484 | S | S | . | . | | | trans | -70.4 | 150.9 | -173 | -59.6 | 179.9 | -158.5 | -93.1 | 15 | 113.3 | G634 D642 S646 | G634-R644 PolarHBondContact N-O 3.15Å; D642-R644 HydrophobicContact CB-CG 3.9Å; D642-R644 PolarHBondContact O-N 3.36Å; D642-R644 WeakPolarHBondContact OD2-CG 3.2Å; D642-R644 IonicContact OD2-CZ 3.44Å; D642-R644 IonicContact OD2-NE 3.82Å; D642-R644 PolarHBondContact OD2-NE 2.81Å; D642-R644 IonicContact OD2-NH1 2.68Å; D642-R644 PolarHBondContact OD2-NH1 3.29Å; D642-R644 IonicContact OD2-NH2 3.48Å; R644-S646 PolarHBondContact O-N 3.29Å |
| 645 | H | 83.4 | Confident | 77.7 | Confident | 4 Ų | 4 | 95 Ų | 95 | 2% | 0.019 | 48% | 0.48 | C | S | . | . | B | Isolated β-bridge | trans | -76.4 | 113.2 | 169.5 | -174.9 | -115.4 | 0 | 0 | 0 | 109.8 | K632 I633 K647 G648 E662 I668 I673 | K632-H645 PolarHBondContact O-CD2 3.43Å; I633-H645 HydrophobicContact CD1-CB 4.41Å; H645-K647 PolarHBondContact O-N 2.68Å; H645-G648 PolarHBondContact CE1-O 3.01Å; H645-G648 VanDerWaalsContact CE1-O 3.29Å; H645-G648 PolarHBondContact ND1-N 3.32Å; H645-G648 PolarHBondContact ND1-O 2.87Å; H645-G648 PolarHBondContact O-N 3.44Å; H645-E662 IonicContact CE1-OE2 3.93Å; H645-E662 PolarHBondContact CE1-OE2 3.15Å; H645-E662 VanDerWaalsContact CE1-OE2 3.27Å; H645-E662 IonicContact NE2-OE1 2.83Å; H645-E662 IonicContact NE2-OE2 2.63Å; H645-I668 HydrophobicContact CB-CD1 3.9Å; H645-I673 WeakPolarHBondContact O-CD1 3.27Å |
| 646 | S | 86.3 | Confident | 79.4 | Confident | 69 Ų | 69 | 86.7 Ų | 86.7 | 48% | 0.483 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -25.3 | -165.9 | -51.4 | 0 | 0 | 0 | 0 | 114.9 | K632 R644 | K632-S646 PolarHBondContact O-N 3.27Å; K632-S646 PolarHBondContact O-OG 2.95Å; R644-S646 PolarHBondContact O-N 3.29Å |
| 647 | K | 88.5 | Confident | 81.3 | Confident | 154 Ų | 154 | 85.8 Ų | 85.8 | 67% | 0.67 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -10.7 | -179.8 | -171.9 | 165.5 | -178.8 | 171.3 | 0 | 114.3 | H645 | H645-K647 PolarHBondContact O-N 2.68Š|
| 648 | G | 92.1 | Very high | 83.3 | Confident | 1 Ų | 1 | 83.1 Ų | 83.1 | 1% | 0.01 | 42% | 0.418 | C | S | . | . | | | trans | 63.4 | 175.6 | -164.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | H645 C674 | H645-G648 PolarHBondContact CE1-O 3.01Å; H645-G648 VanDerWaalsContact CE1-O 3.29Å; H645-G648 PolarHBondContact ND1-N 3.32Å; H645-G648 PolarHBondContact ND1-O 2.87Å; H645-G648 PolarHBondContact O-N 3.44Å; G648-C674 VanDerWaalsContact CA-SG 3.53Å |
| 649 | C | 95.4 | Very high | 85.6 | Confident | 2 Ų | 2 | 77.8 Ų | 77.8 | 1% | 0.014 | 40% | 0.397 | C | S | . | . | | | trans | -113.5 | 164.2 | 176 | 75.5 | 0 | 0 | 0 | 0 | 111.6 | C674 K675 | C649-C674 PolarHBondContact N-SG 3.47Å; C649-C674 CarbonylContact O-C 3.54Å; C649-C674 WeakPolarHBondContact O-CA 3.47Å; C649-K675 PolarHBondContact O-N 3.02Å |
| 650 | N | 96.6 | Very high | 87.4 | Confident | 101 Ų | 101 | 83.3 Ų | 83.3 | 54% | 0.54 | 39% | 0.393 | S | S | . | . | | | trans | -122.7 | 32.7 | -175.3 | -62.4 | -88.1 | 0 | 0 | 0 | 112.3 | | |
| 651 | C | 97.8 | Very high | 89.5 | Confident | 16 Ų | 16 | 77 Ų | 77 | 11% | 0.108 | 36% | 0.364 | C | S | . | . | | | trans | -69.4 | 133.9 | -170.6 | -62.7 | 0 | 0 | 0 | 0 | 113.1 | S654 C661 C676 I677 | C651-S654 WeakPolarHBondContact CB-OG 3.46Å; C651-C661 VanDerWaalsContact SG-CB 3.53Å; C651-C661 VanDerWaalsContact SG-SG 3.63Å; C651-C676 HydrophobicContact CB-CB 4.3Å; C651-C676 CarbonylContact O-C 3.53Å; C651-C676 VanDerWaalsContact O-CA 3.28Å; C651-C676 WeakPolarHBondContact O-CA 3.34Å; C651-I677 PolarHBondContact O-N 2.91Å |
| 652 | K | 96.5 | Very high | 91.4 | Very high | 161 Ų | 161 | 74.1 Ų | 74.1 | 70% | 0.7 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -111.3 | -23.6 | 178.4 | -60.7 | -171.4 | 179 | -177.3 | 0 | 115.8 | I677 | K652-I677 HydrophobicContact CD-CD1 4.35Å; K652-I677 HydrophobicContact CG-CD1 4.08Å |
| 653 | R | 96.6 | Very high | 92.8 | Very high | 245 Ų | 245 | 72.4 Ų | 72.4 | 93% | 0.925 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -131 | -11.3 | -171.8 | -63.5 | -168 | -64.3 | -140.6 | 2.7 | 115.7 | G655 | R653-G655 VanDerWaalsContact C-N 3.33Š|
| 654 | S | 95.3 | Very high | 93.5 | Very high | 15 Ų | 15 | 68.8 Ų | 68.8 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -83 | -7.3 | -176.6 | 54.9 | 0 | 0 | 0 | 0 | 114.1 | C651 C656 L657 | C651-S654 WeakPolarHBondContact CB-OG 3.46Å; S654-C656 PolarHBondContact O-N 3Å; S654-C656 PolarHBondContact OG-N 2.89Å; S654-L657 PolarHBondContact O-N 3.13Å |
| 655 | G | 96.1 | Very high | 94 | Very high | 17 Ų | 17 | 69.4 Ų | 69.4 | 18% | 0.175 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 9.7 | -164.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R653 L657 G678 K680 | R653-G655 VanDerWaalsContact C-N 3.33Å; G655-L657 PolarHBondContact O-N 3.36Å; G655-G678 WeakPolarHBondContact CA-O 3.2Å; G655-K680 WeakPolarHBondContact O-CA 3.31Å; G655-K680 WeakPolarHBondContact O-CB 3.31Å; G655-K680 PolarHBondContact O-N 2.89Å |
| 656 | C | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 15.3 | -162.3 | -55.9 | 0 | 0 | 0 | 0 | 115.6 | S654 C661 Y664 C676 N681 | S654-C656 PolarHBondContact O-N 3Å; S654-C656 PolarHBondContact OG-N 2.89Å; C656-C661 HydrophobicContact CB-CB 4.29Å; C656-Y664 WeakPolarHBondContact O-CB 3.28Å; C656-Y664 WeakPolarHBondContact O-CD2 3.37Å; C656-C676 VanDerWaalsContact SG-CB 3.5Å; C656-N681 HydrophobicContact CB-CB 3.44Å; C656-N681 VanDerWaalsContact CB-CB 3.44Å; C656-N681 VanDerWaalsContact O-CB 3.32Å; C656-N681 WeakPolarHBondContact O-CB 3.45Å |
| 657 | L | 95.2 | Very high | 94.7 | Very high | 20 Ų | 20 | 74.3 Ų | 74.3 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | | | trans | -109.7 | 32 | 177.6 | -67 | 179.1 | 0 | 0 | 0 | 112.7 | S654 G655 Y664 K680 N681 E687 R688 L691 | S654-L657 PolarHBondContact O-N 3.13Å; G655-L657 PolarHBondContact O-N 3.36Å; L657-Y664 HydrophobicContact CB-CE2 4.33Å; L657-Y664 HydrophobicContact CD2-CD2 3.86Å; L657-Y664 HydrophobicContact CD2-CE2 3.67Å; L657-K680 HydrophobicContact CD1-CB 3.49Å; L657-K680 VanDerWaalsContact CD1-CB 3.49Å; L657-K680 HydrophobicContact CD1-CD 4.41Å; L657-K680 WeakPolarHBondContact CD2-O 3.14Å; L657-K680 HydrophobicContact CG-CB 3.9Å; L657-N681 HydrophobicContact CD2-CB 4.17Å; L657-E687 HydrophobicContact CD1-CB 3.64Å; L657-R688 HydrophobicContact CD2-CB 3.94Å; L657-R688 HydrophobicContact CD2-CG 4.21Å; L657-L691 HydrophobicContact CB-CD1 4Å; L657-L691 HydrophobicContact CD1-CD1 4.14Å; L657-L691 HydrophobicContact CG-CD1 4.46Å |
| 658 | K | 95 | Very high | 94.9 | Very high | 122 Ų | 122 | 67.9 Ų | 67.9 | 53% | 0.53 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -143 | 152.6 | 176.1 | -58.4 | -171.9 | -179.7 | -170.7 | 0 | 108.6 | Y660 C661 Y664 | K658-Y660 HydrophobicContact CB-CD2 3.75Å; K658-Y660 HydrophobicContact CB-CE2 4.29Å; K658-Y660 HydrophobicContact CD-CD2 4.21Å; K658-Y660 HydrophobicContact CD-CE2 4.15Å; K658-Y660 PolarHBondContact O-N 2.98Å; K658-C661 WeakPolarHBondContact O-CB 3.31Å; K658-C661 PolarHBondContact O-N 3.19Å; K658-Y664 VanDerWaalsContact C-CD1 3.5Å |
| 659 | N | 94.9 | Very high | 94.9 | Very high | 97 Ų | 97 | 69.5 Ų | 69.5 | 52% | 0.519 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -10 | -177.2 | -62.2 | -32.3 | 0 | 0 | 0 | 114.4 | C661 | N659-C661 PolarHBondContact O-N 3.35Š|
| 660 | Y | 94.5 | Very high | 94.9 | Very high | 198 Ų | 198 | 70.4 Ų | 70.4 | 78% | 0.776 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 1.5 | 163.8 | -47.1 | -65 | 0 | 0 | 0 | 114.7 | K658 | K658-Y660 HydrophobicContact CB-CD2 3.75Å; K658-Y660 HydrophobicContact CB-CE2 4.29Å; K658-Y660 HydrophobicContact CD-CD2 4.21Å; K658-Y660 HydrophobicContact CD-CE2 4.15Å; K658-Y660 PolarHBondContact O-N 2.98Å |
| 661 | C | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -118.1 | 114.5 | 175.7 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | C651 C656 K658 N659 C663 Y664 E665 | C651-C661 VanDerWaalsContact SG-CB 3.53Å; C651-C661 VanDerWaalsContact SG-SG 3.63Å; C656-C661 HydrophobicContact CB-CB 4.29Å; K658-C661 WeakPolarHBondContact O-CB 3.31Å; K658-C661 PolarHBondContact O-N 3.19Å; N659-C661 PolarHBondContact O-N 3.35Å; C661-C663 PolarHBondContact O-N 2.89Å; C661-C663 VanDerWaalsContact O-N 3.1Å; C661-Y664 PolarHBondContact O-N 3.36Å; C661-E665 PolarHBondContact O-N 3.43Å |
| 662 | E | 92.9 | Very high | 94.5 | Very high | 68 Ų | 68 | 71.4 Ų | 71.4 | 32% | 0.318 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -51.9 | -36 | -179.2 | -62.3 | 176.1 | 112 | 0 | 0 | 112.4 | K632 H645 A666 | K632-E662 IonicContact NZ-OE1 3.24Å; K632-E662 PolarHBondContact NZ-OE1 3.07Å; H645-E662 IonicContact CE1-OE2 3.93Å; H645-E662 PolarHBondContact CE1-OE2 3.15Å; H645-E662 VanDerWaalsContact CE1-OE2 3.27Å; H645-E662 IonicContact NE2-OE1 2.83Å; H645-E662 IonicContact NE2-OE2 2.63Å; E662-A666 VanDerWaalsContact O-CB 3.24Å; E662-A666 WeakPolarHBondContact O-CB 3.5Å; E662-A666 PolarHBondContact O-N 3.43Å |
| 663 | C | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.4 | -46.5 | 176.3 | -52.8 | 0 | 0 | 0 | 0 | 112.3 | C661 A666 K667 I668 | C661-C663 PolarHBondContact O-N 2.89Å; C661-C663 VanDerWaalsContact O-N 3.1Å; C663-A666 CarbonylContact O-C 3.51Å; C663-A666 PolarHBondContact O-N 3.42Å; C663-K667 PolarHBondContact O-N 3.06Å; C663-K667 VanDerWaalsContact O-N 3.13Å; C663-I668 CarbonylContact C-O 3.49Å; C663-I668 HydrophobicContact CB-CD1 4.5Å; C663-I668 HydrophobicContact CB-CG1 4.12Å; C663-I668 WeakPolarHBondContact O-CG1 3.48Å; C663-I668 PolarHBondContact O-N 3.25Å; C663-I668 VanDerWaalsContact O-O 3.08Å |
| 664 | Y | 95 | Very high | 94.3 | Very high | 49 Ų | 49 | 56.7 Ų | 56.7 | 19% | 0.192 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -73.7 | -37 | -178.3 | -175.9 | -93.2 | 0 | 0 | 0 | 112.5 | C656 L657 K658 C661 A666 K667 | C656-Y664 WeakPolarHBondContact O-CB 3.28Å; C656-Y664 WeakPolarHBondContact O-CD2 3.37Å; L657-Y664 HydrophobicContact CB-CE2 4.33Å; L657-Y664 HydrophobicContact CD2-CD2 3.86Å; L657-Y664 HydrophobicContact CD2-CE2 3.67Å; K658-Y664 VanDerWaalsContact C-CD1 3.5Å; C661-Y664 PolarHBondContact O-N 3.36Å; Y664-A666 VanDerWaalsContact C-N 3.35Å; Y664-K667 PolarHBondContact O-N 3.3Å; Y664-K667 PolarHBondContact O-NZ 2.98Å |
| 665 | E | 93.4 | Very high | 94.3 | Very high | 118 Ų | 118 | 63.6 Ų | 63.6 | 55% | 0.551 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -56.3 | -51 | 170.4 | -179.3 | 169.7 | -135.2 | 0 | 0 | 110.3 | C661 K667 | C661-E665 PolarHBondContact O-N 3.43Å; E665-K667 PolarHBondContact O-N 3.1Å; E665-K667 VanDerWaalsContact O-N 3.12Å; E665-K667 PolarHBondContact O-NZ 3.09Å |
| 666 | A | 91.4 | Very high | 94.4 | Very high | 44 Ų | 44 | 64.1 Ų | 64.1 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 5.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | I633 E662 C663 Y664 I668 | I633-A666 HydrophobicContact CD1-CB 3.47Å; I633-A666 VanDerWaalsContact CD1-CB 3.47Å; I633-A666 HydrophobicContact CG1-CB 4.04Å; E662-A666 VanDerWaalsContact O-CB 3.24Å; E662-A666 WeakPolarHBondContact O-CB 3.5Å; E662-A666 PolarHBondContact O-N 3.43Å; C663-A666 CarbonylContact O-C 3.51Å; C663-A666 PolarHBondContact O-N 3.42Å; Y664-A666 VanDerWaalsContact C-N 3.35Å; A666-I668 HydrophobicContact CB-CG1 4.21Å; A666-I668 PolarHBondContact O-N 3.44Å |
| 667 | K | 92.2 | Very high | 94.4 | Very high | 132 Ų | 132 | 69.2 Ų | 69.2 | 57% | 0.574 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 20.4 | 177.1 | -56.3 | -69.5 | 159.8 | -70.3 | 0 | 115.8 | C663 Y664 E665 | C663-K667 PolarHBondContact O-N 3.06Å; C663-K667 VanDerWaalsContact O-N 3.13Å; Y664-K667 PolarHBondContact O-N 3.3Å; Y664-K667 PolarHBondContact O-NZ 2.98Å; E665-K667 PolarHBondContact O-N 3.1Å; E665-K667 VanDerWaalsContact O-N 3.12Å; E665-K667 PolarHBondContact O-NZ 3.09Å |
| 668 | I | 92.7 | Very high | 94.4 | Very high | 20 Ų | 20 | 71 Ų | 71 | 10% | 0.103 | 37% | 0.369 | C | S | . | . | | | trans | -104.5 | 170.5 | 177.1 | 59.6 | 164.6 | 0 | 0 | 0 | 111 | I633 R643 H645 C663 A666 N681 R688 | I633-I668 HydrophobicContact CD1-CD1 3.65Å; I633-I668 HydrophobicContact CD1-CG1 4.48Å; R643-I668 HydrophobicContact CB-CG2 4.2Å; R643-I668 WeakPolarHBondContact O-CD1 3.28Å; R643-I668 VanDerWaalsContact O-CG2 3.31Å; R643-I668 WeakPolarHBondContact O-CG2 3.38Å; H645-I668 HydrophobicContact CB-CD1 3.9Å; C663-I668 CarbonylContact C-O 3.49Å; C663-I668 HydrophobicContact CB-CD1 4.5Å; C663-I668 HydrophobicContact CB-CG1 4.12Å; C663-I668 WeakPolarHBondContact O-CG1 3.48Å; C663-I668 PolarHBondContact O-N 3.25Å; C663-I668 VanDerWaalsContact O-O 3.08Å; A666-I668 HydrophobicContact CB-CG1 4.21Å; A666-I668 PolarHBondContact O-N 3.44Å; I668-N681 PolarHBondContact O-ND2 3.26Å; I668-R688 PolarHBondContact O-NH1 2.99Å |
| 669 | M | 92.8 | Very high | 94.5 | Very high | 35 Ų | 35 | 66.9 Ų | 66.9 | 17% | 0.172 | 36% | 0.355 | C | S | . | . | | | trans | -84.6 | 161.1 | 176.9 | -70.1 | 172.9 | -79.6 | 0 | 0 | 111.6 | E683 | M669-E683 WeakPolarHBondContact CE-OE2 3.4Å; M669-E683 VanDerWaalsContact SD-CA 3.57Å; M669-E683 HydrophobicContact SD-CB 3.63Å; M669-E683 HydrophobicContact SD-CG 4.33Å; M669-E683 PolarHBondContact SD-N 2.95Å; M669-E683 VanDerWaalsContact SD-N 3.41Å |
| 670 | C | 95.1 | Very high | 94.6 | Very high | 20 Ų | 20 | 66.4 Ų | 66.4 | 14% | 0.135 | 35% | 0.348 | C | S | . | . | | | trans | -76.9 | 130 | 164.9 | -69.5 | 0 | 0 | 0 | 0 | 109.1 | C674 N681 | C670-C674 HydrophobicContact CB-CB 4.02Å; C670-N681 PolarHBondContact N-ND2 3.02Å; C670-N681 PolarHBondContact N-O 3.47Å |
| 671 | S | 92.9 | Very high | 94.6 | Very high | 12 Ų | 12 | 57 Ų | 57 | 8% | 0.084 | 31% | 0.311 | C | S | . | . | | | trans | -99.7 | 175.2 | 175.7 | 51.4 | 0 | 0 | 0 | 0 | 110.9 | I673 C674 | S671-I673 PolarHBondContact O-N 3.42Å; S671-I673 VanDerWaalsContact OG-CG1 3.28Å; S671-I673 WeakPolarHBondContact OG-CG1 3.4Å; S671-C674 VanDerWaalsContact O-CB 3.31Å; S671-C674 WeakPolarHBondContact O-CB 3.24Å; S671-C674 PolarHBondContact O-N 3.04Å |
| 672 | S | 92.6 | Very high | 94.4 | Very high | 127 Ų | 127 | 61 Ų | 61 | 89% | 0.888 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -18.1 | -178.5 | 50 | 0 | 0 | 0 | 0 | 115.2 | | |
| 673 | I | 93.3 | Very high | 94.2 | Very high | 80 Ų | 80 | 62.5 Ų | 62.5 | 41% | 0.41 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -9.4 | 174.1 | 53.2 | 172.6 | 0 | 0 | 0 | 113.7 | H645 S671 | H645-I673 WeakPolarHBondContact O-CD1 3.27Å; S671-I673 PolarHBondContact O-N 3.42Å; S671-I673 VanDerWaalsContact OG-CG1 3.28Å; S671-I673 WeakPolarHBondContact OG-CG1 3.4Å |
| 674 | C | 95.9 | Very high | 93.9 | Very high | 16 Ų | 16 | 68.6 Ų | 68.6 | 11% | 0.108 | 37% | 0.365 | C | S | . | . | | | trans | -76.3 | 121.5 | 173.6 | -63.5 | 0 | 0 | 0 | 0 | 111.3 | G648 C649 C670 S671 C676 | G648-C674 VanDerWaalsContact CA-SG 3.53Å; C649-C674 PolarHBondContact N-SG 3.47Å; C649-C674 CarbonylContact O-C 3.54Å; C649-C674 WeakPolarHBondContact O-CA 3.47Å; C670-C674 HydrophobicContact CB-CB 4.02Å; S671-C674 VanDerWaalsContact O-CB 3.31Å; S671-C674 WeakPolarHBondContact O-CB 3.24Å; S671-C674 PolarHBondContact O-N 3.04Å; C674-C676 VanDerWaalsContact CB-SG 3.53Å; C674-C676 PolarHBondContact O-N 3.1Å; C674-C676 VanDerWaalsContact O-N 3.15Å |
| 675 | K | 96.6 | Very high | 93.7 | Very high | 161 Ų | 161 | 66.3 Ų | 66.3 | 70% | 0.7 | 36% | 0.356 | S | S | * | . | | | trans | -89.2 | 44.9 | 175.1 | -56.7 | -177.2 | -178.4 | -176.8 | 0 | 111.2 | C649 | C649-K675 PolarHBondContact O-N 3.02Š|
| 676 | C | 97.3 | Very high | 93.6 | Very high | 27 Ų | 27 | 64.7 Ų | 64.7 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | | | trans | -89.9 | 134.2 | -175.5 | 48.5 | 0 | 0 | 0 | 0 | 112.4 | C651 C656 C674 C679 | C651-C676 HydrophobicContact CB-CB 4.3Å; C651-C676 CarbonylContact O-C 3.53Å; C651-C676 VanDerWaalsContact O-CA 3.28Å; C651-C676 WeakPolarHBondContact O-CA 3.34Å; C656-C676 VanDerWaalsContact SG-CB 3.5Å; C674-C676 VanDerWaalsContact CB-SG 3.53Å; C674-C676 PolarHBondContact O-N 3.1Å; C674-C676 VanDerWaalsContact O-N 3.15Å; C676-C679 HydrophobicContact CB-CB 4.31Å; C676-C679 VanDerWaalsContact SG-CB 3.55Å; C676-C679 VanDerWaalsContact SG-SG 3.68Å |
| 677 | I | 96.8 | Very high | 93.6 | Very high | 108 Ų | 108 | 66 Ų | 66 | 55% | 0.554 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 133.4 | 177.9 | -52.6 | 178.9 | 0 | 0 | 0 | 108.8 | C651 K652 C679 | C651-I677 PolarHBondContact O-N 2.91Å; K652-I677 HydrophobicContact CD-CD1 4.35Å; K652-I677 HydrophobicContact CG-CD1 4.08Å; I677-C679 PolarHBondContact O-N 3.45Å |
| 678 | G | 95.5 | Very high | 93.5 | Very high | 57 Ų | 57 | 61.8 Ų | 61.8 | 59% | 0.588 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 39.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G655 K680 | G655-G678 WeakPolarHBondContact CA-O 3.2Å; G678-K680 PolarHBondContact O-N 3.13Å |
| 679 | C | 97.2 | Very high | 93.3 | Very high | 36 Ų | 36 | 65.2 Ų | 65.2 | 24% | 0.243 | 35% | 0.349 | C | S | . | . | | | trans | -67.2 | 129.1 | -177 | -169.1 | 0 | 0 | 0 | 0 | 112.3 | C676 I677 N681 F682 | C676-C679 HydrophobicContact CB-CB 4.31Å; C676-C679 VanDerWaalsContact SG-CB 3.55Å; C676-C679 VanDerWaalsContact SG-SG 3.68Å; I677-C679 PolarHBondContact O-N 3.45Å; C679-N681 PolarHBondContact SG-N 3.49Å; C679-N681 VanDerWaalsContact SG-N 3.43Å; C679-F682 WeakPolarHBondContact O-CE1 3.28Å |
| 680 | K | 96.3 | Very high | 93.2 | Very high | 86 Ų | 86 | 67.3 Ų | 67.3 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | | | trans | -116.8 | 12.5 | 172.6 | -57.2 | -175.7 | 170.8 | -150 | 0 | 112.1 | G655 L657 G678 S685 E687 | G655-K680 WeakPolarHBondContact O-CA 3.31Å; G655-K680 WeakPolarHBondContact O-CB 3.31Å; G655-K680 PolarHBondContact O-N 2.89Å; L657-K680 HydrophobicContact CD1-CB 3.49Å; L657-K680 VanDerWaalsContact CD1-CB 3.49Å; L657-K680 HydrophobicContact CD1-CD 4.41Å; L657-K680 WeakPolarHBondContact CD2-O 3.14Å; L657-K680 HydrophobicContact CG-CB 3.9Å; G678-K680 PolarHBondContact O-N 3.13Å; K680-S685 WeakPolarHBondContact O-CB 3.17Å; K680-S685 PolarHBondContact O-OG 2.66Å; K680-E687 HydrophobicContact CD-CG 4.23Å; K680-E687 WeakPolarHBondContact CD-OE1 3.24Å; K680-E687 VanDerWaalsContact CE-OE1 3.27Å; K680-E687 WeakPolarHBondContact CE-OE1 3.45Å; K680-E687 IonicContact NZ-OE1 2.63Å; K680-E687 PolarHBondContact NZ-OE1 2.82Å |
| 681 | N | 95.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 38% | 0.375 | C | S | . | . | | | trans | -104.3 | 61.9 | -177.6 | -170.1 | 43.1 | 0 | 0 | 0 | 111.6 | C656 L657 I668 C670 C679 R688 | C656-N681 HydrophobicContact CB-CB 3.44Å; C656-N681 VanDerWaalsContact CB-CB 3.44Å; C656-N681 VanDerWaalsContact O-CB 3.32Å; C656-N681 WeakPolarHBondContact O-CB 3.45Å; L657-N681 HydrophobicContact CD2-CB 4.17Å; I668-N681 PolarHBondContact O-ND2 3.26Å; C670-N681 PolarHBondContact N-ND2 3.02Å; C670-N681 PolarHBondContact N-O 3.47Å; C679-N681 PolarHBondContact SG-N 3.49Å; C679-N681 VanDerWaalsContact SG-N 3.43Å; N681-R688 PolarHBondContact OD1-NH1 3.43Å |
| 682 | F | 92.9 | Very high | 92.7 | Very high | 84 Ų | 84 | 74.2 Ų | 74.2 | 37% | 0.368 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -132.2 | 162.5 | 177.6 | 60.2 | -90.8 | 0 | 0 | 0 | 109.9 | C679 E684 S685 R688 | C679-F682 WeakPolarHBondContact O-CE1 3.28Å; F682-E684 VanDerWaalsContact C-N 3.32Å; F682-E684 HydrophobicContact CD2-CB 4.1Å; F682-E684 HydrophobicContact CE2-CB 3.97Å; F682-E684 PolarHBondContact O-N 2.9Å; F682-S685 VanDerWaalsContact CE2-N 3.27Å; F682-S685 PolarHBondContact O-N 3.05Å; F682-S685 VanDerWaalsContact O-N 3.16Å; F682-R688 WeakPolarHBondContact O-CD 3.32Å |
| 683 | E | 88.4 | Confident | 92.5 | Very high | 101 Ų | 101 | 73.8 Ų | 73.8 | 47% | 0.472 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -42.3 | -169.4 | -169.2 | 64.1 | -95.4 | 0 | 0 | 112.8 | M669 S685 K689 | M669-E683 WeakPolarHBondContact CE-OE2 3.4Å; M669-E683 VanDerWaalsContact SD-CA 3.57Å; M669-E683 HydrophobicContact SD-CB 3.63Å; M669-E683 HydrophobicContact SD-CG 4.33Å; M669-E683 PolarHBondContact SD-N 2.95Å; M669-E683 VanDerWaalsContact SD-N 3.41Å; E683-S685 PolarHBondContact O-N 2.79Å; E683-K689 WeakPolarHBondContact O-CE 3.22Å; E683-K689 PolarHBondContact O-NZ 3.15Å |
| 684 | E | 87.8 | Confident | 92.4 | Very high | 128 Ų | 128 | 75.3 Ų | 75.3 | 60% | 0.598 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -5.2 | -176.4 | -61.4 | 72.1 | -156 | 0 | 0 | 114.7 | F682 P686 | F682-E684 VanDerWaalsContact C-N 3.32Å; F682-E684 HydrophobicContact CD2-CB 4.1Å; F682-E684 HydrophobicContact CE2-CB 3.97Å; F682-E684 PolarHBondContact O-N 2.9Å; E684-P686 WeakPolarHBondContact O-CD 3.45Å |
| 685 | S | 91.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 41% | 0.405 | C | S | . | . | | | trans | -60.6 | 122.7 | -173.6 | 165 | 0 | 0 | 0 | 0 | 111.9 | K680 F682 E683 E687 R688 K689 | K680-S685 WeakPolarHBondContact O-CB 3.17Å; K680-S685 PolarHBondContact O-OG 2.66Å; F682-S685 VanDerWaalsContact CE2-N 3.27Å; F682-S685 PolarHBondContact O-N 3.05Å; F682-S685 VanDerWaalsContact O-N 3.16Å; E683-S685 PolarHBondContact O-N 2.79Å; S685-E687 VanDerWaalsContact C-N 3.28Å; S685-E687 PolarHBondContact O-N 2.85Å; S685-E687 PolarHBondContact OG-N 3.47Å; S685-E687 PolarHBondContact OG-OE2 3.02Å; S685-R688 PolarHBondContact O-N 2.98Å; S685-R688 PolarHBondContact OG-N 3.01Å; S685-K689 WeakPolarHBondContact O-CG 3.16Å; S685-K689 PolarHBondContact O-N 3.01Å; S685-K689 VanDerWaalsContact O-N 3.1Å |
| 686 | P | 91.2 | Very high | 91.9 | Very high | 85 Ų | 85 | 72.9 Ų | 72.9 | 55% | 0.552 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -58.3 | -41.2 | 172.5 | -24.7 | 35.1 | 0 | 0 | 0 | 111.9 | E684 K689 T690 | E684-P686 WeakPolarHBondContact O-CD 3.45Å; P686-K689 PolarHBondContact O-N 2.96Å; P686-T690 PolarHBondContact O-N 2.96Å; P686-T690 PolarHBondContact O-OG1 3.04Å; P686-T690 VanDerWaalsContact O-OG1 3.11Å |
| 687 | E | 90.5 | Very high | 91.6 | Very high | 71 Ų | 71 | 74 Ų | 74 | 33% | 0.332 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.6 | -36.9 | -178 | -51.2 | 96 | 142 | 0 | 0 | 112.4 | L657 K680 S685 L691 | L657-E687 HydrophobicContact CD1-CB 3.64Å; K680-E687 HydrophobicContact CD-CG 4.23Å; K680-E687 WeakPolarHBondContact CD-OE1 3.24Å; K680-E687 VanDerWaalsContact CE-OE1 3.27Å; K680-E687 WeakPolarHBondContact CE-OE1 3.45Å; K680-E687 IonicContact NZ-OE1 2.63Å; K680-E687 PolarHBondContact NZ-OE1 2.82Å; S685-E687 VanDerWaalsContact C-N 3.28Å; S685-E687 PolarHBondContact O-N 2.85Å; S685-E687 PolarHBondContact OG-N 3.47Å; S685-E687 PolarHBondContact OG-OE2 3.02Å; E687-L691 WeakPolarHBondContact O-CB 3.47Å; E687-L691 WeakPolarHBondContact O-CG 3.33Å; E687-L691 PolarHBondContact O-N 2.83Å |
| 688 | R | 90 | Very high | 91.5 | Very high | 44 Ų | 44 | 70.8 Ų | 70.8 | 17% | 0.166 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 171.1 | -176 | 176 | 156 | 108.7 | 0.8 | 110.9 | L657 I668 N681 F682 S685 L691 M692 | L657-R688 HydrophobicContact CD2-CB 3.94Å; L657-R688 HydrophobicContact CD2-CG 4.21Å; I668-R688 PolarHBondContact O-NH1 2.99Å; N681-R688 PolarHBondContact OD1-NH1 3.43Å; F682-R688 WeakPolarHBondContact O-CD 3.32Å; S685-R688 PolarHBondContact O-N 2.98Å; S685-R688 PolarHBondContact OG-N 3.01Å; R688-L691 PolarHBondContact O-N 2.95Å; R688-M692 WeakPolarHBondContact O-CB 3.48Å; R688-M692 PolarHBondContact O-N 2.95Å |
| 689 | K | 89 | Confident | 91.3 | Very high | 92 Ų | 92 | 74.7 Ų | 74.7 | 40% | 0.4 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | -179.9 | -69.9 | 177.5 | -173.7 | -179 | 0 | 112.2 | E683 S685 P686 L691 M692 H693 | E683-K689 WeakPolarHBondContact O-CE 3.22Å; E683-K689 PolarHBondContact O-NZ 3.15Å; S685-K689 WeakPolarHBondContact O-CG 3.16Å; S685-K689 PolarHBondContact O-N 3.01Å; S685-K689 VanDerWaalsContact O-N 3.1Å; P686-K689 PolarHBondContact O-N 2.96Å; K689-L691 PolarHBondContact O-N 3.39Å; K689-M692 PolarHBondContact O-N 3.44Å; K689-H693 VanDerWaalsContact O-CG 3.28Å; K689-H693 PolarHBondContact O-N 3.47Å |
| 690 | T | 91.2 | Very high | 91.1 | Very high | 79 Ų | 79 | 77.3 Ų | 77.3 | 49% | 0.485 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 173.5 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | P686 M692 L694 | P686-T690 PolarHBondContact O-N 2.96Å; P686-T690 PolarHBondContact O-OG1 3.04Å; P686-T690 VanDerWaalsContact O-OG1 3.11Å; T690-M692 VanDerWaalsContact C-N 3.35Å; T690-M692 PolarHBondContact O-N 2.97Å; T690-L694 HydrophobicContact CG2-CD1 4.23Å; T690-L694 WeakPolarHBondContact O-CB 3.5Å; T690-L694 WeakPolarHBondContact O-CD1 3.34Å; T690-L694 PolarHBondContact O-N 3.48Å |
| 691 | L | 89.1 | Confident | 90.9 | Very high | 72 Ų | 72 | 81 Ų | 81 | 38% | 0.377 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.8 | -36.8 | 177.4 | -73.9 | 172.6 | 0 | 0 | 0 | 113 | L657 E687 R688 K689 A695 | L657-L691 HydrophobicContact CB-CD1 4Å; L657-L691 HydrophobicContact CD1-CD1 4.14Å; L657-L691 HydrophobicContact CG-CD1 4.46Å; E687-L691 WeakPolarHBondContact O-CB 3.47Å; E687-L691 WeakPolarHBondContact O-CG 3.33Å; E687-L691 PolarHBondContact O-N 2.83Å; R688-L691 PolarHBondContact O-N 2.95Å; K689-L691 PolarHBondContact O-N 3.39Å; L691-A695 PolarHBondContact O-N 2.75Å; L691-A695 VanDerWaalsContact O-N 3.08Å |
| 692 | M | 87.6 | Confident | 90.8 | Very high | 105 Ų | 105 | 85.1 Ų | 85.1 | 52% | 0.517 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.8 | -53.3 | 175.4 | -178.8 | 168.4 | 165 | 0 | 0 | 111.1 | R688 K689 T690 L694 A695 D696 | R688-M692 WeakPolarHBondContact O-CB 3.48Å; R688-M692 PolarHBondContact O-N 2.95Å; K689-M692 PolarHBondContact O-N 3.44Å; T690-M692 VanDerWaalsContact C-N 3.35Å; T690-M692 PolarHBondContact O-N 2.97Å; M692-L694 PolarHBondContact O-N 3.15Å; M692-A695 WeakPolarHBondContact O-CA 3.38Å; M692-A695 WeakPolarHBondContact O-CB 3.32Å; M692-A695 PolarHBondContact O-N 2.97Å; M692-D696 PolarHBondContact O-N 2.87Å |
| 693 | H | 89.6 | Confident | 90.8 | Very high | 118 Ų | 118 | 87.7 Ų | 87.7 | 55% | 0.546 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.8 | -32.5 | 177.8 | -61.7 | 168 | 0 | 0 | 0 | 113.1 | K689 A697 | K689-H693 VanDerWaalsContact O-CG 3.28Å; K689-H693 PolarHBondContact O-N 3.47Å; H693-A697 WeakPolarHBondContact O-CB 3.44Å; H693-A697 PolarHBondContact O-N 3.01Å |
| 694 | L | 90.9 | Very high | 90.9 | Very high | 112 Ų | 112 | 89.4 Ų | 89.4 | 59% | 0.586 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -68.6 | -35.5 | 173.1 | -101 | 62.9 | 0 | 0 | 0 | 112.6 | T690 M692 A698 | T690-L694 HydrophobicContact CG2-CD1 4.23Å; T690-L694 WeakPolarHBondContact O-CB 3.5Å; T690-L694 WeakPolarHBondContact O-CD1 3.34Å; T690-L694 PolarHBondContact O-N 3.48Å; M692-L694 PolarHBondContact O-N 3.15Å; L694-A698 WeakPolarHBondContact O-CB 3.38Å; L694-A698 PolarHBondContact O-N 3.14Å |
| 695 | A | 89.5 | Confident | 91 | Very high | 56 Ų | 56 | 89.7 Ų | 89.7 | 46% | 0.463 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.4 | -47.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | L691 M692 A697 A698 E699 | L691-A695 PolarHBondContact O-N 2.75Å; L691-A695 VanDerWaalsContact O-N 3.08Å; M692-A695 WeakPolarHBondContact O-CA 3.38Å; M692-A695 WeakPolarHBondContact O-CB 3.32Å; M692-A695 PolarHBondContact O-N 2.97Å; A695-A697 VanDerWaalsContact C-N 3.33Å; A695-A697 PolarHBondContact O-N 3.18Å; A695-A698 WeakPolarHBondContact O-CA 3.5Å; A695-A698 WeakPolarHBondContact O-CB 3.11Å; A695-A698 PolarHBondContact O-N 3.49Å; A695-E699 PolarHBondContact O-N 3.43Å |
| 696 | D | 91.5 | Very high | 90.9 | Very high | 70 Ų | 70 | 93.2 Ų | 93.2 | 37% | 0.374 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.1 | -45.5 | 177.5 | -54.4 | -31.7 | 0 | 0 | 0 | 110.8 | M692 A698 E699 V700 | M692-D696 PolarHBondContact O-N 2.87Å; D696-A698 VanDerWaalsContact C-N 3.31Å; D696-A698 PolarHBondContact O-N 2.98Å; D696-E699 PolarHBondContact O-N 2.97Å; D696-V700 WeakPolarHBondContact O-CG2 3.2Å; D696-V700 PolarHBondContact O-N 3.39Å |
| 697 | A | 92.3 | Very high | 90.7 | Very high | 51 Ų | 51 | 92.1 Ų | 92.1 | 42% | 0.421 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.4 | -24.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H693 A695 R701 | H693-A697 WeakPolarHBondContact O-CB 3.44Å; H693-A697 PolarHBondContact O-N 3.01Å; A695-A697 VanDerWaalsContact C-N 3.33Å; A695-A697 PolarHBondContact O-N 3.18Å; A697-R701 WeakPolarHBondContact O-CG 3.27Å; A697-R701 PolarHBondContact O-N 2.77Å; A697-R701 PolarHBondContact O-NE 2.92Å |
| 698 | A | 93.1 | Very high | 90.5 | Very high | 39 Ų | 39 | 91.1 Ų | 91.1 | 32% | 0.322 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -75.8 | -43.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L694 A695 D696 R701 V702 | L694-A698 WeakPolarHBondContact O-CB 3.38Å; L694-A698 PolarHBondContact O-N 3.14Å; A695-A698 WeakPolarHBondContact O-CA 3.5Å; A695-A698 WeakPolarHBondContact O-CB 3.11Å; A695-A698 PolarHBondContact O-N 3.49Å; D696-A698 VanDerWaalsContact C-N 3.31Å; D696-A698 PolarHBondContact O-N 2.98Å; A698-R701 PolarHBondContact O-N 3.46Å; A698-V702 WeakPolarHBondContact O-CG2 3.47Å; A698-V702 PolarHBondContact O-N 2.63Å |
| 699 | E | 92.9 | Very high | 90.3 | Very high | 140 Ų | 140 | 95.9 Ų | 95.9 | 65% | 0.654 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63 | -43.5 | 177.8 | -173.1 | 162.2 | -164.4 | 0 | 0 | 111.5 | A695 D696 R701 V702 Q703 | A695-E699 PolarHBondContact O-N 3.43Å; D696-E699 PolarHBondContact O-N 2.97Å; E699-R701 VanDerWaalsContact C-N 3.32Å; E699-R701 PolarHBondContact O-N 3.12Å; E699-V702 PolarHBondContact O-N 2.84Å; E699-Q703 WeakPolarHBondContact O-CB 3.34Å; E699-Q703 PolarHBondContact O-N 2.86Å |
| 700 | V | 92.8 | Very high | 90 | Very high | 91 Ų | 91 | 95.7 Ų | 95.7 | 55% | 0.552 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.4 | -41.2 | 172.5 | 169.8 | 0 | 0 | 0 | 0 | 111.9 | D696 Q703 Q704 | D696-V700 WeakPolarHBondContact O-CG2 3.2Å; D696-V700 PolarHBondContact O-N 3.39Å; V700-Q703 PolarHBondContact O-N 3.25Å; V700-Q704 WeakPolarHBondContact O-CB 3.38Å; V700-Q704 PolarHBondContact O-N 3.07Å |
| 701 | R | 91.9 | Very high | 89.5 | Confident | 164 Ų | 164 | 98.8 Ų | 98.8 | 62% | 0.619 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.6 | -41.3 | 176.6 | -76.5 | -170.5 | -63.6 | 168.8 | 3.1 | 112.5 | A697 A698 E699 Q703 Q704 Q705 | A697-R701 WeakPolarHBondContact O-CG 3.27Å; A697-R701 PolarHBondContact O-N 2.77Å; A697-R701 PolarHBondContact O-NE 2.92Å; A698-R701 PolarHBondContact O-N 3.46Å; E699-R701 VanDerWaalsContact C-N 3.32Å; E699-R701 PolarHBondContact O-N 3.12Å; R701-Q703 VanDerWaalsContact C-N 3.33Å; R701-Q704 PolarHBondContact O-N 3.12Å; R701-Q705 WeakPolarHBondContact O-CB 3.27Å; R701-Q705 WeakPolarHBondContact O-CG 3.46Å; R701-Q705 PolarHBondContact O-N 3.4Å |
| 702 | V | 93.1 | Very high | 88.8 | Confident | 85 Ų | 85 | 100.2 Ų | 100.2 | 52% | 0.515 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 174.6 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | A698 E699 Q705 T706 | A698-V702 WeakPolarHBondContact O-CG2 3.47Å; A698-V702 PolarHBondContact O-N 2.63Å; E699-V702 PolarHBondContact O-N 2.84Å; V702-Q705 PolarHBondContact O-N 2.8Å; V702-T706 VanDerWaalsContact O-CB 3.28Å; V702-T706 WeakPolarHBondContact O-CB 3.38Å; V702-T706 PolarHBondContact O-N 3Å; V702-T706 PolarHBondContact O-OG1 3.35Å |
| 703 | Q | 91.8 | Very high | 88.3 | Confident | 138 Ų | 138 | 98.4 Ų | 98.4 | 65% | 0.645 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.2 | -38.7 | 177 | -165.9 | 173.4 | 39.8 | 0 | 0 | 111.7 | E699 V700 R701 T706 A707 | E699-Q703 WeakPolarHBondContact O-CB 3.34Å; E699-Q703 PolarHBondContact O-N 2.86Å; V700-Q703 PolarHBondContact O-N 3.25Å; R701-Q703 VanDerWaalsContact C-N 3.33Å; Q703-T706 PolarHBondContact O-N 3.2Å; Q703-A707 WeakPolarHBondContact O-CB 3.35Å; Q703-A707 PolarHBondContact O-N 3.22Å |
| 704 | Q | 91.8 | Very high | 87.5 | Confident | 137 Ų | 137 | 95.2 Ų | 95.2 | 64% | 0.64 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.3 | -43.7 | 173.8 | -170.2 | 177.8 | 32.5 | 0 | 0 | 112 | V700 R701 T706 A707 A708 | V700-Q704 WeakPolarHBondContact O-CB 3.38Å; V700-Q704 PolarHBondContact O-N 3.07Å; R701-Q704 PolarHBondContact O-N 3.12Å; Q704-T706 VanDerWaalsContact C-N 3.32Å; Q704-T706 PolarHBondContact O-N 2.78Å; Q704-A707 PolarHBondContact O-N 2.9Å; Q704-A708 WeakPolarHBondContact O-CB 3.38Å; Q704-A708 PolarHBondContact O-N 3.37Å |
| 705 | Q | 89.9 | Confident | 86.7 | Confident | 134 Ų | 134 | 94.5 Ų | 94.5 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.9 | -39.5 | 172.4 | -76.6 | 177.2 | -17.2 | 0 | 0 | 111.7 | R701 V702 A708 K709 | R701-Q705 WeakPolarHBondContact O-CB 3.27Å; R701-Q705 WeakPolarHBondContact O-CG 3.46Å; R701-Q705 PolarHBondContact O-N 3.4Å; V702-Q705 PolarHBondContact O-N 2.8Å; Q705-A708 PolarHBondContact O-N 3.42Å; Q705-K709 VanDerWaalsContact O-CB 3.32Å; Q705-K709 WeakPolarHBondContact O-CB 3.36Å; Q705-K709 PolarHBondContact O-N 3.43Å |
| 706 | T | 89.5 | Confident | 85.8 | Confident | 75 Ų | 75 | 96.7 Ų | 96.7 | 46% | 0.46 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.3 | -48.1 | 176.6 | -57.3 | 0 | 0 | 0 | 0 | 110.8 | V702 Q703 Q704 A708 K709 T710 | V702-T706 VanDerWaalsContact O-CB 3.28Å; V702-T706 WeakPolarHBondContact O-CB 3.38Å; V702-T706 PolarHBondContact O-N 3Å; V702-T706 PolarHBondContact O-OG1 3.35Å; Q703-T706 PolarHBondContact O-N 3.2Å; Q704-T706 VanDerWaalsContact C-N 3.32Å; Q704-T706 PolarHBondContact O-N 2.78Å; T706-A708 VanDerWaalsContact C-N 3.29Å; T706-A708 PolarHBondContact O-N 3.44Å; T706-K709 PolarHBondContact O-N 3.36Å; T706-K709 VanDerWaalsContact O-N 3.15Å; T706-T710 PolarHBondContact O-N 3.28Å; T706-T710 PolarHBondContact O-OG1 3.33Å |
| 707 | A | 87.1 | Confident | 84.7 | Confident | 62 Ų | 62 | 96.1 Ų | 96.1 | 51% | 0.512 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.9 | -39.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q703 Q704 K711 | Q703-A707 WeakPolarHBondContact O-CB 3.35Å; Q703-A707 PolarHBondContact O-N 3.22Å; Q704-A707 PolarHBondContact O-N 2.9Å; A707-K711 WeakPolarHBondContact O-CB 3.5Å; A707-K711 PolarHBondContact O-N 2.96Å |
| 708 | A | 86.8 | Confident | 83.1 | Confident | 49 Ų | 49 | 98 Ų | 98 | 41% | 0.405 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q704 Q705 T706 K711 L712 | Q704-A708 WeakPolarHBondContact O-CB 3.38Å; Q704-A708 PolarHBondContact O-N 3.37Å; Q705-A708 PolarHBondContact O-N 3.42Å; T706-A708 VanDerWaalsContact C-N 3.29Å; T706-A708 PolarHBondContact O-N 3.44Å; A708-K711 PolarHBondContact O-N 3.36Å; A708-L712 WeakPolarHBondContact O-CB 3.48Å; A708-L712 WeakPolarHBondContact O-CG 3.47Å; A708-L712 PolarHBondContact O-N 2.77Å |
| 709 | K | 84.9 | Confident | 81.6 | Confident | 145 Ų | 145 | 102.8 Ų | 102.8 | 63% | 0.63 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.7 | -42.3 | 177.6 | -174.9 | 171.4 | -179.1 | 174.3 | 0 | 111.7 | Q705 T706 L712 S713 | Q705-K709 VanDerWaalsContact O-CB 3.32Å; Q705-K709 WeakPolarHBondContact O-CB 3.36Å; Q705-K709 PolarHBondContact O-N 3.43Å; T706-K709 PolarHBondContact O-N 3.36Å; T706-K709 VanDerWaalsContact O-N 3.15Å; K709-L712 PolarHBondContact O-N 3.38Å; K709-S713 WeakPolarHBondContact O-CB 3.22Å; K709-S713 PolarHBondContact O-N 3.08Å |
| 710 | T | 82.6 | Confident | 79.9 | Confident | 88 Ų | 88 | 102.5 Ų | 102.5 | 54% | 0.54 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 173.9 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | T706 L712 S713 S714 | T706-T710 PolarHBondContact O-N 3.28Å; T706-T710 PolarHBondContact O-OG1 3.33Å; T710-L712 PolarHBondContact O-N 3.22Å; T710-S713 PolarHBondContact O-N 2.88Å; T710-S714 WeakPolarHBondContact O-CB 3.45Å; T710-S714 PolarHBondContact O-N 3.21Å; T710-S714 PolarHBondContact O-OG 3.46Å |
| 711 | K | 80.8 | Confident | 78.1 | Confident | 143 Ų | 143 | 104.9 Ų | 104.9 | 62% | 0.622 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.1 | -30.7 | 177.9 | -170.3 | 177.3 | 179.8 | -178.4 | 0 | 113 | A707 A708 S714 Q715 | A707-K711 WeakPolarHBondContact O-CB 3.5Å; A707-K711 PolarHBondContact O-N 2.96Å; A708-K711 PolarHBondContact O-N 3.36Å; K711-S714 PolarHBondContact O-OG 3.48Å; K711-Q715 WeakPolarHBondContact O-CG 3.43Å; K711-Q715 PolarHBondContact O-N 3.28Å; K711-Q715 PolarHBondContact O-NE2 3.02Å |
| 712 | L | 74.9 | Confident | 76.1 | Confident | 102 Ų | 102 | 107.3 Ų | 107.3 | 53% | 0.534 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -74.8 | -43.5 | 171 | -72.6 | 170.2 | 0 | 0 | 0 | 111 | A708 K709 T710 S714 Q715 I716 | A708-L712 WeakPolarHBondContact O-CB 3.48Å; A708-L712 WeakPolarHBondContact O-CG 3.47Å; A708-L712 PolarHBondContact O-N 2.77Å; K709-L712 PolarHBondContact O-N 3.38Å; T710-L712 PolarHBondContact O-N 3.22Å; L712-S714 VanDerWaalsContact C-N 3.33Å; L712-S714 PolarHBondContact O-N 3.16Å; L712-Q715 PolarHBondContact O-N 3.41Å; L712-I716 VanDerWaalsContact O-CG1 3.28Å; L712-I716 WeakPolarHBondContact O-CG1 3.33Å; L712-I716 PolarHBondContact O-N 2.78Å |
| 713 | S | 75.8 | Confident | 73.7 | Confident | 67 Ų | 67 | 107.8 Ų | 107.8 | 47% | 0.469 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.5 | -41.2 | 175.5 | -169 | 0 | 0 | 0 | 0 | 111.7 | K709 T710 I716 S717 | K709-S713 WeakPolarHBondContact O-CB 3.22Å; K709-S713 PolarHBondContact O-N 3.08Å; T710-S713 PolarHBondContact O-N 2.88Å; S713-I716 PolarHBondContact O-N 2.93Å; S713-S717 WeakPolarHBondContact O-CB 3.49Å; S713-S717 PolarHBondContact O-N 3.43Å; S713-S717 PolarHBondContact O-OG 2.76Å; S713-S717 VanDerWaalsContact O-OG 3.13Å |
| 714 | S | 73.1 | Confident | 71.3 | Confident | 52 Ų | 52 | 107 Ų | 107 | 36% | 0.364 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.6 | -42.4 | 175.9 | 73.4 | 0 | 0 | 0 | 0 | 111.2 | T710 K711 L712 I716 S717 D718 | T710-S714 WeakPolarHBondContact O-CB 3.45Å; T710-S714 PolarHBondContact O-N 3.21Å; T710-S714 PolarHBondContact O-OG 3.46Å; K711-S714 PolarHBondContact O-OG 3.48Å; L712-S714 VanDerWaalsContact C-N 3.33Å; L712-S714 PolarHBondContact O-N 3.16Å; S714-I716 VanDerWaalsContact C-N 3.31Å; S714-I716 PolarHBondContact O-N 3.06Å; S714-S717 CarbonylContact O-C 3.6Å; S714-S717 PolarHBondContact O-N 3.24Å; S714-D718 WeakPolarHBondContact O-CB 3.37Å; S714-D718 PolarHBondContact O-N 3.36Å |
| 715 | Q | 75 | Confident | 68.9 | Low | 96 Ų | 96 | 105.6 Ų | 105.6 | 45% | 0.449 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62 | -36.5 | 173.5 | -79.1 | 169.9 | 94.8 | 0 | 0 | 112.7 | K711 L712 D718 L719 | K711-Q715 WeakPolarHBondContact O-CG 3.43Å; K711-Q715 PolarHBondContact O-N 3.28Å; K711-Q715 PolarHBondContact O-NE2 3.02Å; L712-Q715 PolarHBondContact O-N 3.41Å; Q715-D718 PolarHBondContact O-N 2.66Å; Q715-L719 WeakPolarHBondContact O-CB 3.48Å; Q715-L719 VanDerWaalsContact O-CD1 3.23Å; Q715-L719 WeakPolarHBondContact O-CD1 3.33Å; Q715-L719 PolarHBondContact O-N 3.05Å |
| 716 | I | 70.6 | Confident | 66.8 | Low | 103 Ų | 103 | 107.3 Ų | 107.3 | 53% | 0.528 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.8 | -43.6 | 175.6 | -68.8 | 163 | 0 | 0 | 0 | 110.4 | L712 S713 S714 L719 L720 | L712-I716 VanDerWaalsContact O-CG1 3.28Å; L712-I716 WeakPolarHBondContact O-CG1 3.33Å; L712-I716 PolarHBondContact O-N 2.78Å; S713-I716 PolarHBondContact O-N 2.93Å; S714-I716 VanDerWaalsContact C-N 3.31Å; S714-I716 PolarHBondContact O-N 3.06Å; I716-L719 PolarHBondContact O-N 3.49Å; I716-L720 HydrophobicContact CG2-CD1 3.95Å; I716-L720 WeakPolarHBondContact O-CB 3.38Å; I716-L720 VanDerWaalsContact O-CG 3.29Å; I716-L720 WeakPolarHBondContact O-CG 3.28Å; I716-L720 PolarHBondContact O-N 3.36Å |
| 717 | S | 67.6 | Low | 64.5 | Low | 58 Ų | 58 | 110.9 Ų | 110.9 | 41% | 0.406 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.1 | -41.4 | 171.8 | -64.7 | 0 | 0 | 0 | 0 | 112.2 | S713 S714 L719 L720 M721 | S713-S717 WeakPolarHBondContact O-CB 3.49Å; S713-S717 PolarHBondContact O-N 3.43Å; S713-S717 PolarHBondContact O-OG 2.76Å; S713-S717 VanDerWaalsContact O-OG 3.13Å; S714-S717 CarbonylContact O-C 3.6Å; S714-S717 PolarHBondContact O-N 3.24Å; S717-L719 PolarHBondContact O-N 3.39Å; S717-L720 CarbonylContact O-C 3.59Å; S717-L720 PolarHBondContact O-N 2.93Å; S717-M721 WeakPolarHBondContact O-CB 3.33Å; S717-M721 WeakPolarHBondContact O-CG 2.86Å; S717-M721 PolarHBondContact O-N 3.14Å |
| 718 | D | 59.1 | Low | 62.6 | Low | 90 Ų | 90 | 113 Ų | 113 | 48% | 0.481 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.3 | -37.6 | 175.5 | -73.1 | -35.4 | 0 | 0 | 0 | 111.5 | S714 Q715 R722 | S714-D718 WeakPolarHBondContact O-CB 3.37Å; S714-D718 PolarHBondContact O-N 3.36Å; Q715-D718 PolarHBondContact O-N 2.66Å; D718-R722 WeakPolarHBondContact O-CB 3.5Å; D718-R722 VanDerWaalsContact O-CG 3.27Å; D718-R722 WeakPolarHBondContact O-CG 3.34Å; D718-R722 PolarHBondContact O-N 3.38Å |
| 719 | L | 60.7 | Low | 60.6 | Low | 140 Ų | 140 | 116.4 Ų | 116.4 | 73% | 0.733 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69 | -38.3 | 173.3 | -100.4 | 73.8 | 0 | 0 | 0 | 112.2 | Q715 I716 S717 M721 | Q715-L719 WeakPolarHBondContact O-CB 3.48Å; Q715-L719 VanDerWaalsContact O-CD1 3.23Å; Q715-L719 WeakPolarHBondContact O-CD1 3.33Å; Q715-L719 PolarHBondContact O-N 3.05Å; I716-L719 PolarHBondContact O-N 3.49Å; S717-L719 PolarHBondContact O-N 3.39Å; L719-M721 VanDerWaalsContact C-N 3.35Å |
| 720 | L | 57.8 | Low | 58.9 | Low | 133 Ų | 133 | 113.7 Ų | 113.7 | 70% | 0.696 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.5 | -25.3 | 176.8 | -68.9 | 170.1 | 0 | 0 | 0 | 112.7 | I716 S717 | I716-L720 HydrophobicContact CG2-CD1 3.95Å; I716-L720 WeakPolarHBondContact O-CB 3.38Å; I716-L720 VanDerWaalsContact O-CG 3.29Å; I716-L720 WeakPolarHBondContact O-CG 3.28Å; I716-L720 PolarHBondContact O-N 3.36Å; S717-L720 CarbonylContact O-C 3.59Å; S717-L720 PolarHBondContact O-N 2.93Å |
| 721 | M | 55 | Low | 57.3 | Low | 141 Ų | 141 | 113.2 Ų | 113.2 | 70% | 0.695 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -89.7 | -25.1 | 173.3 | -73.3 | -173.3 | 158.9 | 0 | 0 | 113.6 | S717 L719 T723 | S717-M721 WeakPolarHBondContact O-CB 3.33Å; S717-M721 WeakPolarHBondContact O-CG 2.86Å; S717-M721 PolarHBondContact O-N 3.14Å; L719-M721 VanDerWaalsContact C-N 3.35Å; M721-T723 VanDerWaalsContact C-N 3.33Å; M721-T723 PolarHBondContact O-N 2.93Å; M721-T723 VanDerWaalsContact O-N 3.16Å |
| 722 | R | 49.3 | Very low | 55.8 | Low | 216 Ų | 216 | 109.1 Ų | 109.1 | 82% | 0.815 | 65% | 0.653 | S | S | * | * | | | trans | -87.6 | 64.6 | 174.3 | -72 | -176.3 | 118.4 | -172.5 | 2.2 | 112.4 | D718 T724 | D718-R722 WeakPolarHBondContact O-CB 3.5Å; D718-R722 VanDerWaalsContact O-CG 3.27Å; D718-R722 WeakPolarHBondContact O-CG 3.34Å; D718-R722 PolarHBondContact O-N 3.38Å; R722-T724 PolarHBondContact O-N 3.24Å |
| 723 | T | 43.6 | Very low | 54.8 | Low | 94 Ų | 94 | 113.5 Ų | 113.5 | 58% | 0.577 | 66% | 0.663 | S | S | * | * | | | trans | -70.1 | 94.6 | 164.5 | -43 | 0 | 0 | 0 | 0 | 110.6 | M721 L734 | M721-T723 VanDerWaalsContact C-N 3.33Å; M721-T723 PolarHBondContact O-N 2.93Å; M721-T723 VanDerWaalsContact O-N 3.16Å; T723-L734 HydrophobicContact CG2-CD1 4.3Å |
| 724 | T | 41.8 | Very low | 53.9 | Low | 121 Ų | 121 | 115.7 Ų | 115.7 | 74% | 0.742 | 67% | 0.669 | S | S | * | * | | | trans | 65.8 | 143 | 164.6 | 50.2 | 0 | 0 | 0 | 0 | 120 | R722 | R722-T724 PolarHBondContact O-N 3.24Š|
| 725 | P | 41.4 | Very low | 52.9 | Low | 109 Ų | 109 | 118 Ų | 118 | 71% | 0.708 | 68% | 0.682 | S | S | * | * | | | trans | -77.1 | 158 | 164.6 | 34.5 | -34.8 | 0 | 0 | 0 | 111.4 | I727 | P725-I727 PolarHBondContact O-N 3.03Š|
| 726 | I | 44.8 | Very low | 51.8 | Low | 169 Ų | 169 | 122.8 Ų | 122.8 | 87% | 0.867 | 70% | 0.698 | S | S | * | * | | | trans | -73.7 | 110.7 | 172.2 | -61.8 | 172.8 | 0 | 0 | 0 | 109.6 | | |
| 727 | I | 42.8 | Very low | 51.4 | Low | 150 Ų | 150 | 121.2 Ų | 121.2 | 77% | 0.769 | 69% | 0.693 | S | S | * | * | | | trans | -132.3 | 132 | 155.5 | -58.9 | -177.6 | 0 | 0 | 0 | 106.6 | P725 S729 | P725-I727 PolarHBondContact O-N 3.03Å; I727-S729 PolarHBondContact O-N 2.91Å |
| 728 | S | 47.1 | Very low | 51.3 | Low | 108 Ų | 108 | 121.1 Ų | 121.1 | 76% | 0.755 | 69% | 0.685 | S | S | * | * | | | trans | -70.3 | 123.2 | -169.2 | -53.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 729 | S | 44.5 | Very low | 52.4 | Low | 119 Ų | 119 | 121.2 Ų | 121.2 | 83% | 0.832 | 69% | 0.689 | S | S | * | * | | | trans | -168.5 | 153.5 | 133.8 | -82 | 0 | 0 | 0 | 0 | 110.2 | I727 | I727-S729 PolarHBondContact O-N 2.91Š|
| 730 | G | 48.2 | Very low | 53.5 | Low | 89 Ų | 89 | 117.2 Ų | 117.2 | 92% | 0.918 | 67% | 0.671 | S | S | * | * | | | trans | -64.9 | 132.6 | -164.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 731 | G | 48.7 | Very low | 54.9 | Low | 77 Ų | 77 | 117.9 Ų | 117.9 | 79% | 0.794 | 67% | 0.668 | S | S | * | * | | | trans | 177.7 | 88.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 732 | G | 50.8 | Low | 56.4 | Low | 57 Ų | 57 | 118.3 Ų | 118.3 | 59% | 0.588 | 67% | 0.668 | S | S | * | * | | | trans | 25.9 | 113.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | L734 | G732-L734 PolarHBondContact O-N 2.72Š|
| 733 | R | 53.5 | Low | 58.4 | Low | 194 Ų | 194 | 110.3 Ų | 110.3 | 73% | 0.732 | 64% | 0.643 | S | S | * | * | | | trans | -53.1 | 136.8 | 168.1 | -77.9 | 179.4 | 170.1 | -107.2 | 0.8 | 112.4 | | |
| 734 | L | 55.7 | Low | 60.6 | Low | 114 Ų | 114 | 110.5 Ų | 110.5 | 60% | 0.597 | 64% | 0.64 | S | S | * | * | | | trans | -77.1 | 151.8 | 175 | -68.8 | 174.3 | 0 | 0 | 0 | 111.7 | T723 G732 Y736 T737 | T723-L734 HydrophobicContact CG2-CD1 4.3Å; G732-L734 PolarHBondContact O-N 2.72Å; L734-Y736 PolarHBondContact O-N 3.25Å; L734-Y736 VanDerWaalsContact O-N 3.07Å; L734-T737 PolarHBondContact O-N 2.97Å; L734-T737 PolarHBondContact O-OG1 3.17Å |
| 735 | P | 53.2 | Low | 63 | Low | 99 Ų | 99 | 109 Ų | 109 | 64% | 0.643 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -64.4 | -18 | -169.4 | 24 | -34.9 | 0 | 0 | 0 | 115.3 | T737 F738 | P735-T737 PolarHBondContact O-N 3.38Å; P735-F738 PolarHBondContact O-N 3.43Å; P735-F738 VanDerWaalsContact O-N 3.09Å |
| 736 | Y | 51.2 | Low | 65.4 | Low | 197 Ų | 197 | 106 Ų | 106 | 77% | 0.773 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -60 | -15.8 | -180 | -163.4 | -100.1 | 0 | 0 | 0 | 113.9 | L734 | L734-Y736 PolarHBondContact O-N 3.25Å; L734-Y736 VanDerWaalsContact O-N 3.07Å |
| 737 | T | 62.3 | Low | 67.7 | Low | 70 Ų | 70 | 98.8 Ų | 98.8 | 43% | 0.429 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -85 | -1 | 176.2 | 64.6 | 0 | 0 | 0 | 0 | 115.2 | L734 P735 | L734-T737 PolarHBondContact O-N 2.97Å; L734-T737 PolarHBondContact O-OG1 3.17Å; P735-T737 PolarHBondContact O-N 3.38Å |
| 738 | F | 66.2 | Low | 70.2 | Confident | 56 Ų | 56 | 94.4 Ų | 94.4 | 25% | 0.246 | 56% | 0.555 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -103.2 | -22.4 | -179.2 | -69.9 | -82.5 | 0 | 0 | 0 | 114.4 | P735 T740 A787 A790 | P735-F738 PolarHBondContact O-N 3.43Å; P735-F738 VanDerWaalsContact O-N 3.09Å; F738-T740 VanDerWaalsContact C-N 3.32Å; F738-T740 PolarHBondContact O-N 2.93Å; F738-A787 HydrophobicContact CB-CB 4.29Å; F738-A787 HydrophobicContact CD1-CB 4Å; F738-A787 HydrophobicContact CD2-CB 3.78Å; F738-A787 HydrophobicContact CE1-CB 4.29Å; F738-A787 HydrophobicContact CE2-CB 4.08Å; F738-A787 HydrophobicContact CG-CB 3.74Å; F738-A787 HydrophobicContact CZ-CB 4.32Å; F738-A790 HydrophobicContact CE1-CB 3.65Å; F738-A790 HydrophobicContact CZ-CB 3.68Å |
| 739 | V | 80.7 | Confident | 72.5 | Confident | 92 Ų | 92 | 95.8 Ų | 95.8 | 56% | 0.558 | 55% | 0.55 | S | S | * | . | | | trans | -89.8 | 73.6 | 174.2 | -171.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 740 | T | 85.3 | Confident | 74.9 | Confident | 57 Ų | 57 | 93 Ų | 93 | 35% | 0.35 | 53% | 0.53 | S | S | . | . | | | trans | -74.8 | 164.2 | 172.5 | 70.2 | 0 | 0 | 0 | 0 | 110.4 | F738 E742 V743 L744 | F738-T740 VanDerWaalsContact C-N 3.32Å; F738-T740 PolarHBondContact O-N 2.93Å; T740-E742 PolarHBondContact O-N 3.22Å; T740-E742 PolarHBondContact OG1-N 3.14Å; T740-V743 PolarHBondContact O-N 3.25Å; T740-V743 WeakPolarHBondContact OG1-CG2 3.42Å; T740-V743 PolarHBondContact OG1-N 3.1Å; T740-L744 PolarHBondContact O-N 3.23Å |
| 741 | K | 87.5 | Confident | 77.2 | Confident | 146 Ų | 146 | 90.5 Ų | 90.5 | 64% | 0.635 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -53.5 | -41.4 | 172.1 | 179 | 179.6 | 171.7 | -73.4 | 0 | 111.7 | L744 E745 | K741-L744 PolarHBondContact O-N 3.39Å; K741-E745 VanDerWaalsContact CE-OE1 3.3Å; K741-E745 WeakPolarHBondContact CE-OE1 3.49Å; K741-E745 HydrophobicContact CG-CG 4.48Å; K741-E745 WeakPolarHBondContact CG-OE2 3.4Å; K741-E745 IonicContact NZ-OE1 2.65Å; K741-E745 PolarHBondContact NZ-OE1 3.5Å; K741-E745 IonicContact NZ-OE2 3.74Å; K741-E745 PolarHBondContact NZ-OE2 2.87Å; K741-E745 WeakPolarHBondContact O-CB 3.5Å; K741-E745 WeakPolarHBondContact O-CG 3.39Å; K741-E745 PolarHBondContact O-N 2.94Å |
| 742 | E | 86.6 | Confident | 79.4 | Confident | 150 Ų | 150 | 92.7 Ų | 92.7 | 70% | 0.701 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.8 | -40.7 | 179.8 | -60.3 | 163.8 | 162.9 | 0 | 0 | 112 | T740 L744 E745 A746 | T740-E742 PolarHBondContact O-N 3.22Å; T740-E742 PolarHBondContact OG1-N 3.14Å; E742-L744 VanDerWaalsContact C-N 3.34Å; E742-E745 PolarHBondContact O-N 3.31Å; E742-A746 WeakPolarHBondContact O-CB 3.45Å; E742-A746 PolarHBondContact O-N 2.63Å |
| 743 | V | 89.8 | Confident | 81.5 | Confident | 48 Ų | 48 | 93 Ų | 93 | 29% | 0.291 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 175.3 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | T740 T747 I783 | T740-V743 PolarHBondContact O-N 3.25Å; T740-V743 WeakPolarHBondContact OG1-CG2 3.42Å; T740-V743 PolarHBondContact OG1-N 3.1Å; V743-T747 WeakPolarHBondContact O-CB 3.38Å; V743-T747 PolarHBondContact O-N 2.65Å; V743-T747 PolarHBondContact O-OG1 3.03Å; V743-I783 HydrophobicContact CG1-CD1 3.67Å; V743-I783 HydrophobicContact CG1-CG1 3.79Å |
| 744 | L | 91 | Very high | 83.5 | Confident | 99 Ų | 99 | 85.4 Ų | 85.4 | 52% | 0.518 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.6 | -45.1 | 174.7 | -177 | 62.4 | 0 | 0 | 0 | 111.7 | T740 K741 E742 T747 C748 | T740-L744 PolarHBondContact O-N 3.23Å; K741-L744 PolarHBondContact O-N 3.39Å; E742-L744 VanDerWaalsContact C-N 3.34Å; L744-T747 WeakPolarHBondContact O-CB 3.3Å; L744-T747 PolarHBondContact O-N 3.11Å; L744-C748 PolarHBondContact O-N 2.89Å; L744-C748 PolarHBondContact O-SG 3.08Å; L744-C748 VanDerWaalsContact O-SG 3.39Å |
| 745 | E | 91.9 | Very high | 85.3 | Confident | 88 Ų | 88 | 81.3 Ų | 81.3 | 41% | 0.411 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 177.2 | -75.7 | 173.3 | 143.9 | 0 | 0 | 111.5 | K741 E742 T747 C748 E749 | K741-E745 VanDerWaalsContact CE-OE1 3.3Å; K741-E745 WeakPolarHBondContact CE-OE1 3.49Å; K741-E745 HydrophobicContact CG-CG 4.48Å; K741-E745 WeakPolarHBondContact CG-OE2 3.4Å; K741-E745 IonicContact NZ-OE1 2.65Å; K741-E745 PolarHBondContact NZ-OE1 3.5Å; K741-E745 IonicContact NZ-OE2 3.74Å; K741-E745 PolarHBondContact NZ-OE2 2.87Å; K741-E745 WeakPolarHBondContact O-CB 3.5Å; K741-E745 WeakPolarHBondContact O-CG 3.39Å; K741-E745 PolarHBondContact O-N 2.94Å; E742-E745 PolarHBondContact O-N 3.31Å; E745-T747 VanDerWaalsContact C-N 3.31Å; E745-T747 PolarHBondContact O-N 2.87Å; E745-C748 WeakPolarHBondContact O-CB 3.44Å; E745-C748 PolarHBondContact O-N 2.93Å; E745-C748 VanDerWaalsContact O-N 3.14Å; E745-E749 WeakPolarHBondContact O-CG 3.43Å; E745-E749 PolarHBondContact O-N 3.2Å |
| 746 | A | 91.5 | Very high | 87.2 | Confident | 48 Ų | 48 | 81.8 Ų | 81.8 | 40% | 0.397 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.8 | -38 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E742 E749 C750 | E742-A746 WeakPolarHBondContact O-CB 3.45Å; E742-A746 PolarHBondContact O-N 2.63Å; A746-E749 PolarHBondContact O-N 2.86Å; A746-C750 PolarHBondContact O-N 3.39Å; A746-C750 VanDerWaalsContact O-N 3.08Å; A746-C750 PolarHBondContact O-SG 3.43Å; A746-C750 VanDerWaalsContact O-SG 3.38Å |
| 747 | T | 93.6 | Very high | 89.2 | Confident | 16 Ų | 16 | 78.4 Ų | 78.4 | 10% | 0.098 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 174.1 | -59.3 | 0 | 0 | 0 | 0 | 111 | V743 L744 E745 C750 L751 F776 C779 | V743-T747 WeakPolarHBondContact O-CB 3.38Å; V743-T747 PolarHBondContact O-N 2.65Å; V743-T747 PolarHBondContact O-OG1 3.03Å; L744-T747 WeakPolarHBondContact O-CB 3.3Å; L744-T747 PolarHBondContact O-N 3.11Å; E745-T747 VanDerWaalsContact C-N 3.31Å; E745-T747 PolarHBondContact O-N 2.87Å; T747-C750 PolarHBondContact O-N 3.48Å; T747-L751 HydrophobicContact CG2-CD1 4.45Å; T747-L751 WeakPolarHBondContact O-CG 3.49Å; T747-L751 PolarHBondContact O-N 2.87Å; T747-F776 HydrophobicContact CG2-CD2 4.39Å; T747-F776 HydrophobicContact CG2-CE2 4.49Å; T747-C779 HydrophobicContact CG2-CB 3.83Å |
| 748 | C | 94.8 | Very high | 90.6 | Very high | 59 Ų | 59 | 75.5 Ų | 75.5 | 40% | 0.399 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 175.9 | -69.5 | 0 | 0 | 0 | 0 | 112.6 | L744 E745 L751 L752 | L744-C748 PolarHBondContact O-N 2.89Å; L744-C748 PolarHBondContact O-SG 3.08Å; L744-C748 VanDerWaalsContact O-SG 3.39Å; E745-C748 WeakPolarHBondContact O-CB 3.44Å; E745-C748 PolarHBondContact O-N 2.93Å; E745-C748 VanDerWaalsContact O-N 3.14Å; C748-L751 PolarHBondContact O-N 3.3Å; C748-L752 WeakPolarHBondContact O-CB 3.34Å; C748-L752 VanDerWaalsContact O-CG 3.27Å; C748-L752 WeakPolarHBondContact O-CG 3.35Å; C748-L752 PolarHBondContact O-N 3.21Å |
| 749 | E | 95.4 | Very high | 91.8 | Very high | 136 Ų | 136 | 80.1 Ų | 80.1 | 64% | 0.636 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.5 | -43.4 | 176 | -73.6 | -179.4 | 173.3 | 0 | 0 | 112.2 | E745 A746 L751 L752 E753 | E745-E749 WeakPolarHBondContact O-CG 3.43Å; E745-E749 PolarHBondContact O-N 3.2Å; A746-E749 PolarHBondContact O-N 2.86Å; E749-L751 PolarHBondContact O-N 3.33Å; E749-L752 PolarHBondContact O-N 3.04Å; E749-E753 WeakPolarHBondContact O-CB 3.42Å; E749-E753 PolarHBondContact O-N 3.48Å |
| 750 | C | 94.4 | Very high | 92.4 | Very high | 61 Ų | 61 | 83.2 Ų | 83.2 | 41% | 0.412 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 174.1 | -70.5 | 0 | 0 | 0 | 0 | 112.3 | A746 T747 Q754 | A746-C750 PolarHBondContact O-N 3.39Å; A746-C750 VanDerWaalsContact O-N 3.08Å; A746-C750 PolarHBondContact O-SG 3.43Å; A746-C750 VanDerWaalsContact O-SG 3.38Å; T747-C750 PolarHBondContact O-N 3.48Å; C750-Q754 WeakPolarHBondContact O-CB 3.38Å; C750-Q754 PolarHBondContact O-N 3.29Å |
| 751 | L | 96.3 | Very high | 92.6 | Very high | 37 Ų | 37 | 85.2 Ų | 85.2 | 19% | 0.194 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.3 | -40 | 179.8 | -63.2 | 175 | 0 | 0 | 0 | 112.6 | T747 C748 E749 Q754 A755 I772 E775 F776 | T747-L751 HydrophobicContact CG2-CD1 4.45Å; T747-L751 WeakPolarHBondContact O-CG 3.49Å; T747-L751 PolarHBondContact O-N 2.87Å; C748-L751 PolarHBondContact O-N 3.3Å; E749-L751 PolarHBondContact O-N 3.33Å; L751-Q754 PolarHBondContact O-N 3.03Å; L751-A755 WeakPolarHBondContact O-CB 3.21Å; L751-A755 PolarHBondContact O-N 3.18Å; L751-I772 HydrophobicContact CB-CG2 4.44Å; L751-I772 HydrophobicContact CD2-CG2 3.98Å; L751-I772 WeakPolarHBondContact CD2-O 3.41Å; L751-E775 HydrophobicContact CD2-CB 4.24Å; L751-F776 HydrophobicContact CD1-CD2 4.05Å; L751-F776 HydrophobicContact CD2-CB 3.78Å |
| 752 | L | 95.6 | Very high | 92.6 | Very high | 122 Ų | 122 | 88.9 Ų | 88.9 | 64% | 0.639 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -69.3 | -40.1 | 178.8 | -72.1 | 169 | 0 | 0 | 0 | 112.1 | C748 E749 A755 K756 | C748-L752 WeakPolarHBondContact O-CB 3.34Å; C748-L752 VanDerWaalsContact O-CG 3.27Å; C748-L752 WeakPolarHBondContact O-CG 3.35Å; C748-L752 PolarHBondContact O-N 3.21Å; E749-L752 PolarHBondContact O-N 3.04Å; L752-A755 PolarHBondContact O-N 3.2Å; L752-K756 VanDerWaalsContact O-CB 3.28Å; L752-K756 WeakPolarHBondContact O-CB 3.42Å; L752-K756 PolarHBondContact O-N 3.5Å |
| 753 | E | 95.2 | Very high | 92.7 | Very high | 63 Ų | 63 | 85.6 Ų | 85.6 | 29% | 0.294 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.8 | -36.4 | 174.3 | 174.2 | 61.8 | -170.9 | 0 | 0 | 111.6 | E749 K756 R757 | E749-E753 WeakPolarHBondContact O-CB 3.42Å; E749-E753 PolarHBondContact O-N 3.48Å; E753-K756 IonicContact OE2-NZ 3.93Å; E753-K756 PolarHBondContact OE2-NZ 3.3Å; E753-R757 VanDerWaalsContact O-CG 3.24Å; E753-R757 WeakPolarHBondContact O-CG 3.46Å; E753-R757 PolarHBondContact O-N 3.49Å; E753-R757 IonicContact OE1-CZ 2.74Å; E753-R757 VanDerWaalsContact OE1-CZ 3.24Å; E753-R757 IonicContact OE1-NE 3.8Å; E753-R757 PolarHBondContact OE1-NE 3.46Å; E753-R757 IonicContact OE1-NH2 3.27Å; E753-R757 PolarHBondContact OE1-NH2 2.92Å |
| 754 | Q | 94.6 | Very high | 92.7 | Very high | 36 Ų | 36 | 87 Ų | 87 | 17% | 0.168 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -68.1 | -42.9 | 174 | -169.8 | 75.1 | -33.6 | 0 | 0 | 112.5 | C750 L751 K756 R757 A758 A771 I772 E775 | C750-Q754 WeakPolarHBondContact O-CB 3.38Å; C750-Q754 PolarHBondContact O-N 3.29Å; L751-Q754 PolarHBondContact O-N 3.03Å; Q754-K756 PolarHBondContact O-N 2.92Å; Q754-R757 WeakPolarHBondContact O-CB 3.33Å; Q754-R757 PolarHBondContact O-N 2.73Å; Q754-A758 PolarHBondContact O-N 2.95Å; Q754-A771 HydrophobicContact CG-CB 4.37Å; Q754-I772 HydrophobicContact CG-CG1 4.5Å; Q754-E775 HydrophobicContact CB-CG 4Å; Q754-E775 HydrophobicContact CG-CB 4.36Å; Q754-E775 HydrophobicContact CG-CG 3.59Å; Q754-E775 VanDerWaalsContact NE2-CG 3.27Å; Q754-E775 PolarHBondContact NE2-OE1 3.06Å |
| 755 | A | 93.4 | Very high | 92.7 | Very high | 28 Ų | 28 | 89.1 Ų | 89.1 | 23% | 0.231 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | L751 L752 R757 A758 E759 I772 | L751-A755 WeakPolarHBondContact O-CB 3.21Å; L751-A755 PolarHBondContact O-N 3.18Å; L752-A755 PolarHBondContact O-N 3.2Å; A755-R757 VanDerWaalsContact C-N 3.31Å; A755-R757 PolarHBondContact O-N 2.9Å; A755-A758 WeakPolarHBondContact O-CB 3.36Å; A755-A758 PolarHBondContact O-N 2.68Å; A755-A758 VanDerWaalsContact O-N 3.13Å; A755-E759 PolarHBondContact O-N 2.97Å; A755-I772 HydrophobicContact CB-CD1 3.63Å; A755-I772 HydrophobicContact CB-CG1 4.09Å |
| 756 | K | 94.7 | Very high | 92.7 | Very high | 109 Ų | 109 | 88.5 Ų | 88.5 | 47% | 0.474 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.5 | -36.3 | 175.2 | 171.9 | -179.3 | 152.8 | -134.7 | 0 | 112.9 | L752 E753 Q754 Q760 | L752-K756 VanDerWaalsContact O-CB 3.28Å; L752-K756 WeakPolarHBondContact O-CB 3.42Å; L752-K756 PolarHBondContact O-N 3.5Å; E753-K756 IonicContact OE2-NZ 3.93Å; E753-K756 PolarHBondContact OE2-NZ 3.3Å; Q754-K756 PolarHBondContact O-N 2.92Å; K756-Q760 VanDerWaalsContact O-CB 3.31Å; K756-Q760 WeakPolarHBondContact O-CB 3.39Å; K756-Q760 PolarHBondContact O-N 2.94Å |
| 757 | R | 92.3 | Very high | 92.7 | Very high | 125 Ų | 125 | 90.7 Ų | 90.7 | 47% | 0.472 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.3 | -43 | 173.3 | -75.4 | 167 | -172.3 | -177.6 | 5 | 111.9 | E753 Q754 A755 Q760 T761 | E753-R757 VanDerWaalsContact O-CG 3.24Å; E753-R757 WeakPolarHBondContact O-CG 3.46Å; E753-R757 PolarHBondContact O-N 3.49Å; E753-R757 IonicContact OE1-CZ 2.74Å; E753-R757 VanDerWaalsContact OE1-CZ 3.24Å; E753-R757 IonicContact OE1-NE 3.8Å; E753-R757 PolarHBondContact OE1-NE 3.46Å; E753-R757 IonicContact OE1-NH2 3.27Å; E753-R757 PolarHBondContact OE1-NH2 2.92Å; Q754-R757 WeakPolarHBondContact O-CB 3.33Å; Q754-R757 PolarHBondContact O-N 2.73Å; A755-R757 VanDerWaalsContact C-N 3.31Å; A755-R757 PolarHBondContact O-N 2.9Å; R757-Q760 PolarHBondContact O-N 3.42Å; R757-T761 PolarHBondContact O-N 2.8Å; R757-T761 PolarHBondContact O-OG1 2.97Å |
| 758 | A | 91.6 | Very high | 92.6 | Very high | 9 Ų | 9 | 90.8 Ų | 90.8 | 7% | 0.074 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -64.8 | -37.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q754 A755 T761 R762 Q763 A768 | Q754-A758 PolarHBondContact O-N 2.95Å; A755-A758 WeakPolarHBondContact O-CB 3.36Å; A755-A758 PolarHBondContact O-N 2.68Å; A755-A758 VanDerWaalsContact O-N 3.13Å; A758-T761 PolarHBondContact O-OG1 3.29Å; A758-R762 PolarHBondContact O-N 3.47Å; A758-R762 VanDerWaalsContact O-N 3.1Å; A758-Q763 HydrophobicContact CB-CB 4.42Å; A758-Q763 PolarHBondContact O-N 3.11Å; A758-A768 HydrophobicContact CB-CB 3.57Å |
| 759 | E | 91.7 | Very high | 92.6 | Very high | 154 Ų | 154 | 92.6 Ų | 92.6 | 72% | 0.72 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.2 | -46.5 | 169.8 | -70.3 | -177.2 | 156.2 | 0 | 0 | 111.8 | A755 T761 R762 | A755-E759 PolarHBondContact O-N 2.97Å; E759-T761 PolarHBondContact O-N 3.25Å; E759-R762 PolarHBondContact O-N 3.39Å |
| 760 | Q | 92.1 | Very high | 92.5 | Very high | 156 Ų | 156 | 93.5 Ų | 93.5 | 73% | 0.729 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -68.2 | -33.2 | -177.1 | -170.3 | 170.5 | 15.3 | 0 | 0 | 113 | K756 R757 R762 | K756-Q760 VanDerWaalsContact O-CB 3.31Å; K756-Q760 WeakPolarHBondContact O-CB 3.39Å; K756-Q760 PolarHBondContact O-N 2.94Å; R757-Q760 PolarHBondContact O-N 3.42Å; Q760-R762 VanDerWaalsContact C-N 3.29Å |
| 761 | T | 90.3 | Very high | 92.4 | Very high | 99 Ų | 99 | 91.7 Ų | 91.7 | 61% | 0.607 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -4 | 171.3 | 52.9 | 0 | 0 | 0 | 0 | 113.4 | R757 A758 E759 Q763 | R757-T761 PolarHBondContact O-N 2.8Å; R757-T761 PolarHBondContact O-OG1 2.97Å; A758-T761 PolarHBondContact O-OG1 3.29Å; E759-T761 PolarHBondContact O-N 3.25Å; T761-Q763 VanDerWaalsContact C-N 3.31Å; T761-Q763 PolarHBondContact O-N 3.37Å; T761-Q763 WeakPolarHBondContact OG1-CG 3.32Å |
| 762 | R | 88.5 | Confident | 92.4 | Very high | 224 Ų | 224 | 92.3 Ų | 92.3 | 85% | 0.845 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 39.4 | -178.1 | -61.2 | -173.8 | 171.9 | -160.6 | -1.6 | 114 | A758 E759 Q760 | A758-R762 PolarHBondContact O-N 3.47Å; A758-R762 VanDerWaalsContact O-N 3.1Å; E759-R762 PolarHBondContact O-N 3.39Å; Q760-R762 VanDerWaalsContact C-N 3.29Å |
| 763 | Q | 87.8 | Confident | 92.4 | Very high | 80 Ų | 80 | 92.2 Ų | 92.2 | 37% | 0.374 | 45% | 0.452 | S | S | . | . | | | trans | -63.8 | 147.4 | 176.9 | -70 | -75.9 | 58.2 | 0 | 0 | 111.4 | A758 T761 E767 | A758-Q763 HydrophobicContact CB-CB 4.42Å; A758-Q763 PolarHBondContact O-N 3.11Å; T761-Q763 VanDerWaalsContact C-N 3.31Å; T761-Q763 PolarHBondContact O-N 3.37Å; T761-Q763 WeakPolarHBondContact OG1-CG 3.32Å; Q763-E767 VanDerWaalsContact NE2-CD 3.26Å; Q763-E767 PolarHBondContact NE2-OE1 3.36Å |
| 764 | P | 90.8 | Very high | 92.4 | Very high | 78 Ų | 78 | 93.5 Ų | 93.5 | 51% | 0.506 | 46% | 0.458 | S | S | . | . | | | trans | -63.3 | 146.9 | 173.8 | 27.5 | -33.2 | 0 | 0 | 0 | 110 | A766 E767 A768 | P764-A766 VanDerWaalsContact C-N 3.28Å; P764-A766 PolarHBondContact O-N 2.87Å; P764-A766 VanDerWaalsContact O-N 3.1Å; P764-E767 HydrophobicContact CG-CB 3.85Å; P764-E767 WeakPolarHBondContact O-CA 3.38Å; P764-E767 WeakPolarHBondContact O-CB 3.32Å; P764-E767 PolarHBondContact O-N 3.44Å; P764-A768 PolarHBondContact O-N 2.86Å |
| 765 | Q | 91 | Very high | 92.4 | Very high | 144 Ų | 144 | 94.7 Ų | 94.7 | 67% | 0.673 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -50.5 | -43.6 | -170.3 | -179.8 | 178.6 | -18.3 | 0 | 0 | 113.7 | E767 A768 E769 | Q765-E767 VanDerWaalsContact C-N 3.27Å; Q765-E767 PolarHBondContact O-N 2.82Å; Q765-A768 PolarHBondContact O-N 3.15Å; Q765-E769 HydrophobicContact CG-CG 4.32Å; Q765-E769 VanDerWaalsContact CG-OE1 3.31Å; Q765-E769 WeakPolarHBondContact CG-OE1 3.35Å; Q765-E769 PolarHBondContact NE2-OE1 3.43Å; Q765-E769 WeakPolarHBondContact O-CB 3.28Å; Q765-E769 WeakPolarHBondContact O-CG 3.47Å; Q765-E769 PolarHBondContact O-N 2.83Å |
| 766 | A | 91.8 | Very high | 92.5 | Very high | 75 Ų | 75 | 97.5 Ų | 97.5 | 62% | 0.62 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.1 | -27.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P764 R770 | P764-A766 VanDerWaalsContact C-N 3.28Å; P764-A766 PolarHBondContact O-N 2.87Å; P764-A766 VanDerWaalsContact O-N 3.1Å; A766-R770 VanDerWaalsContact O-CB 3.27Å; A766-R770 WeakPolarHBondContact O-CB 3.44Å; A766-R770 PolarHBondContact O-N 3.35Å; A766-R770 VanDerWaalsContact O-N 3.15Å |
| 767 | E | 91.8 | Very high | 92.6 | Very high | 94 Ų | 94 | 94.1 Ų | 94.1 | 44% | 0.439 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -84 | -34.3 | 176.5 | -167.3 | 169 | 165.5 | 0 | 0 | 111.2 | Q763 P764 Q765 R770 A771 | Q763-E767 VanDerWaalsContact NE2-CD 3.26Å; Q763-E767 PolarHBondContact NE2-OE1 3.36Å; P764-E767 HydrophobicContact CG-CB 3.85Å; P764-E767 WeakPolarHBondContact O-CA 3.38Å; P764-E767 WeakPolarHBondContact O-CB 3.32Å; P764-E767 PolarHBondContact O-N 3.44Å; Q765-E767 VanDerWaalsContact C-N 3.27Å; Q765-E767 PolarHBondContact O-N 2.82Å; E767-R770 PolarHBondContact O-N 3.49Å; E767-A771 WeakPolarHBondContact O-CB 3.32Å; E767-A771 PolarHBondContact O-N 3.49Å |
| 768 | A | 91.4 | Very high | 92.7 | Very high | 18 Ų | 18 | 93.7 Ų | 93.7 | 15% | 0.149 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.2 | -49.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A758 P764 Q765 R770 A771 I772 | A758-A768 HydrophobicContact CB-CB 3.57Å; P764-A768 PolarHBondContact O-N 2.86Å; Q765-A768 PolarHBondContact O-N 3.15Å; A768-R770 VanDerWaalsContact C-N 3.31Å; A768-R770 PolarHBondContact O-N 3.36Å; A768-A771 PolarHBondContact O-N 2.8Å; A768-I772 WeakPolarHBondContact O-CD1 3.15Å; A768-I772 VanDerWaalsContact O-CG1 3.27Å; A768-I772 WeakPolarHBondContact O-CG1 3.46Å; A768-I772 PolarHBondContact O-N 3.17Å |
| 769 | E | 93.7 | Very high | 92.8 | Very high | 96 Ų | 96 | 94 Ų | 94 | 45% | 0.449 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.7 | -44.1 | 175.1 | -74.6 | 172 | -175.6 | 0 | 0 | 111.4 | Q765 I772 L773 | Q765-E769 HydrophobicContact CG-CG 4.32Å; Q765-E769 VanDerWaalsContact CG-OE1 3.31Å; Q765-E769 WeakPolarHBondContact CG-OE1 3.35Å; Q765-E769 PolarHBondContact NE2-OE1 3.43Å; Q765-E769 WeakPolarHBondContact O-CB 3.28Å; Q765-E769 WeakPolarHBondContact O-CG 3.47Å; Q765-E769 PolarHBondContact O-N 2.83Å; E769-I772 PolarHBondContact O-N 2.8Å; E769-L773 WeakPolarHBondContact O-CG 3.19Å; E769-L773 PolarHBondContact O-N 3.15Å |
| 770 | R | 93.5 | Very high | 92.8 | Very high | 155 Ų | 155 | 90.3 Ų | 90.3 | 59% | 0.585 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60.4 | -48.4 | 174.8 | 179.5 | 178.4 | 172.2 | -173.5 | -7.3 | 112.4 | A766 E767 A768 I772 L773 E774 | A766-R770 VanDerWaalsContact O-CB 3.27Å; A766-R770 WeakPolarHBondContact O-CB 3.44Å; A766-R770 PolarHBondContact O-N 3.35Å; A766-R770 VanDerWaalsContact O-N 3.15Å; E767-R770 PolarHBondContact O-N 3.49Å; A768-R770 VanDerWaalsContact C-N 3.31Å; A768-R770 PolarHBondContact O-N 3.36Å; R770-I772 VanDerWaalsContact C-N 3.28Å; R770-I772 PolarHBondContact O-N 3.46Å; R770-L773 PolarHBondContact O-N 3.44Å; R770-L773 VanDerWaalsContact O-N 3.15Å; R770-E774 HydrophobicContact CG-CG 4.4Å; R770-E774 IonicContact CZ-OE1 2.67Å; R770-E774 IonicContact NE-OE1 3.05Å; R770-E774 PolarHBondContact NE-OE1 3.35Å; R770-E774 IonicContact NE-OE2 3.91Å; R770-E774 IonicContact NH2-OE1 2.71Å; R770-E774 PolarHBondContact NH2-OE1 3.49Å; R770-E774 WeakPolarHBondContact O-CG 3.44Å; R770-E774 PolarHBondContact O-N 2.8Å |
| 771 | A | 92.7 | Very high | 92.7 | Very high | 24 Ų | 24 | 88.9 Ų | 88.9 | 20% | 0.198 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.8 | -34.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q754 E767 A768 E775 | Q754-A771 HydrophobicContact CG-CB 4.37Å; E767-A771 WeakPolarHBondContact O-CB 3.32Å; E767-A771 PolarHBondContact O-N 3.49Å; A768-A771 PolarHBondContact O-N 2.8Å; A771-E775 PolarHBondContact O-N 3.03Å; A771-E775 VanDerWaalsContact O-N 3.15Å |
| 772 | I | 95.7 | Very high | 92.5 | Very high | 50 Ų | 50 | 87.5 Ų | 87.5 | 26% | 0.256 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -70 | -40.5 | 174.5 | -63.3 | 160.3 | 0 | 0 | 0 | 110.8 | L751 Q754 A755 A768 E769 R770 E775 F776 | L751-I772 HydrophobicContact CB-CG2 4.44Å; L751-I772 HydrophobicContact CD2-CG2 3.98Å; L751-I772 WeakPolarHBondContact CD2-O 3.41Å; Q754-I772 HydrophobicContact CG-CG1 4.5Å; A755-I772 HydrophobicContact CB-CD1 3.63Å; A755-I772 HydrophobicContact CB-CG1 4.09Å; A768-I772 WeakPolarHBondContact O-CD1 3.15Å; A768-I772 VanDerWaalsContact O-CG1 3.27Å; A768-I772 WeakPolarHBondContact O-CG1 3.46Å; A768-I772 PolarHBondContact O-N 3.17Å; E769-I772 PolarHBondContact O-N 2.8Å; R770-I772 VanDerWaalsContact C-N 3.28Å; R770-I772 PolarHBondContact O-N 3.46Å; I772-E775 PolarHBondContact O-N 2.79Å; I772-F776 PolarHBondContact O-N 3.13Å |
| 773 | L | 95.4 | Very high | 92.5 | Very high | 119 Ų | 119 | 78.7 Ų | 78.7 | 62% | 0.623 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -68.1 | -35.7 | 176.5 | -71.4 | 169.9 | 0 | 0 | 0 | 112.7 | E769 R770 F776 G777 | E769-L773 WeakPolarHBondContact O-CG 3.19Å; E769-L773 PolarHBondContact O-N 3.15Å; R770-L773 PolarHBondContact O-N 3.44Å; R770-L773 VanDerWaalsContact O-N 3.15Å; L773-F776 PolarHBondContact O-N 3.38Å; L773-G777 PolarHBondContact O-N 3.33Å |
| 774 | E | 94.8 | Very high | 92.5 | Very high | 90 Ų | 90 | 80.1 Ų | 80.1 | 42% | 0.421 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 174.2 | -73.6 | 176.2 | 169.3 | 0 | 0 | 111 | R770 F776 G777 H778 | R770-E774 HydrophobicContact CG-CG 4.4Å; R770-E774 IonicContact CZ-OE1 2.67Å; R770-E774 IonicContact NE-OE1 3.05Å; R770-E774 PolarHBondContact NE-OE1 3.35Å; R770-E774 IonicContact NE-OE2 3.91Å; R770-E774 IonicContact NH2-OE1 2.71Å; R770-E774 PolarHBondContact NH2-OE1 3.49Å; R770-E774 WeakPolarHBondContact O-CG 3.44Å; R770-E774 PolarHBondContact O-N 2.8Å; E774-F776 PolarHBondContact O-N 3.42Å; E774-G777 WeakPolarHBondContact O-CA 3.33Å; E774-G777 PolarHBondContact O-N 2.86Å; E774-G777 VanDerWaalsContact O-N 3.15Å; E774-H778 PolarHBondContact O-CD2 3.43Å; E774-H778 PolarHBondContact O-N 3.13Å |
| 775 | E | 95.6 | Very high | 92.2 | Very high | 61 Ų | 61 | 79 Ų | 79 | 29% | 0.285 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.6 | -35.7 | 172.4 | -74.5 | -60.5 | 156.6 | 0 | 0 | 113.4 | L751 Q754 A771 I772 G777 H778 C779 | L751-E775 HydrophobicContact CD2-CB 4.24Å; Q754-E775 HydrophobicContact CB-CG 4Å; Q754-E775 HydrophobicContact CG-CB 4.36Å; Q754-E775 HydrophobicContact CG-CG 3.59Å; Q754-E775 VanDerWaalsContact NE2-CG 3.27Å; Q754-E775 PolarHBondContact NE2-OE1 3.06Å; A771-E775 PolarHBondContact O-N 3.03Å; A771-E775 VanDerWaalsContact O-N 3.15Å; I772-E775 PolarHBondContact O-N 2.79Å; E775-G777 VanDerWaalsContact C-N 3.3Å; E775-G777 PolarHBondContact O-N 3.07Å; E775-H778 PolarHBondContact O-N 3.09Å; E775-C779 PolarHBondContact O-N 3.43Å; E775-C779 PolarHBondContact O-SG 3.32Å |
| 776 | F | 96.4 | Very high | 91.7 | Very high | 88 Ų | 88 | 75.4 Ų | 75.4 | 39% | 0.386 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 172.8 | -174.2 | -125.6 | 0 | 0 | 0 | 111.3 | T747 L751 I772 L773 E774 C779 L780 | T747-F776 HydrophobicContact CG2-CD2 4.39Å; T747-F776 HydrophobicContact CG2-CE2 4.49Å; L751-F776 HydrophobicContact CD1-CD2 4.05Å; L751-F776 HydrophobicContact CD2-CB 3.78Å; I772-F776 PolarHBondContact O-N 3.13Å; L773-F776 PolarHBondContact O-N 3.38Å; E774-F776 PolarHBondContact O-N 3.42Å; F776-C779 PolarHBondContact O-N 3.44Å; F776-L780 HydrophobicContact CD1-CD1 4.03Å; F776-L780 HydrophobicContact CD2-CG 4.48Å; F776-L780 HydrophobicContact CE1-CD1 3.64Å; F776-L780 HydrophobicContact CE1-CG 4.37Å; F776-L780 HydrophobicContact CE2-CD1 4.32Å; F776-L780 HydrophobicContact CE2-CD2 4.34Å; F776-L780 HydrophobicContact CE2-CG 4.18Å; F776-L780 HydrophobicContact CZ-CD1 3.81Å; F776-L780 HydrophobicContact CZ-CD2 4.24Å; F776-L780 HydrophobicContact CZ-CG 4.12Å; F776-L780 WeakPolarHBondContact O-CG 3.33Å; F776-L780 PolarHBondContact O-N 2.95Å |
| 777 | G | 95.8 | Very high | 91.2 | Very high | 37 Ų | 37 | 73 Ų | 73 | 38% | 0.381 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L773 E774 E775 L780 M781 | L773-G777 PolarHBondContact O-N 3.33Å; E774-G777 WeakPolarHBondContact O-CA 3.33Å; E774-G777 PolarHBondContact O-N 2.86Å; E774-G777 VanDerWaalsContact O-N 3.15Å; E775-G777 VanDerWaalsContact C-N 3.3Å; E775-G777 PolarHBondContact O-N 3.07Å; G777-L780 PolarHBondContact O-N 2.87Å; G777-M781 WeakPolarHBondContact O-CB 3.2Å; G777-M781 PolarHBondContact O-N 3.04Å |
| 778 | H | 93.8 | Very high | 90.3 | Very high | 116 Ų | 116 | 70.2 Ų | 70.2 | 54% | 0.537 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 176.3 | -74.5 | -63.6 | 0 | 0 | 0 | 113 | E774 E775 S782 | E774-H778 PolarHBondContact O-CD2 3.43Å; E774-H778 PolarHBondContact O-N 3.13Å; E775-H778 PolarHBondContact O-N 3.09Å; H778-S782 WeakPolarHBondContact O-CB 3.32Å; H778-S782 PolarHBondContact O-N 3.32Å; H778-S782 PolarHBondContact O-OG 2.99Å |
| 779 | C | 93.7 | Very high | 89.3 | Confident | 16 Ų | 16 | 75.4 Ų | 75.4 | 11% | 0.108 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.1 | -50 | 174.6 | -67.2 | 0 | 0 | 0 | 0 | 111.1 | T747 E775 F776 M781 S782 I783 | T747-C779 HydrophobicContact CG2-CB 3.83Å; E775-C779 PolarHBondContact O-N 3.43Å; E775-C779 PolarHBondContact O-SG 3.32Å; F776-C779 PolarHBondContact O-N 3.44Å; C779-M781 PolarHBondContact O-N 3.44Å; C779-S782 WeakPolarHBondContact O-CB 3.4Å; C779-S782 PolarHBondContact O-N 3.26Å; C779-I783 WeakPolarHBondContact O-CG1 3.28Å; C779-I783 PolarHBondContact O-N 3.24Å |
| 780 | L | 92.4 | Very high | 87.7 | Confident | 76 Ų | 76 | 72.9 Ų | 72.9 | 40% | 0.398 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.8 | -45.7 | 177.5 | -72.1 | 176.5 | 0 | 0 | 0 | 112.1 | F776 G777 S782 I783 I784 | F776-L780 HydrophobicContact CD1-CD1 4.03Å; F776-L780 HydrophobicContact CD2-CG 4.48Å; F776-L780 HydrophobicContact CE1-CD1 3.64Å; F776-L780 HydrophobicContact CE1-CG 4.37Å; F776-L780 HydrophobicContact CE2-CD1 4.32Å; F776-L780 HydrophobicContact CE2-CD2 4.34Å; F776-L780 HydrophobicContact CE2-CG 4.18Å; F776-L780 HydrophobicContact CZ-CD1 3.81Å; F776-L780 HydrophobicContact CZ-CD2 4.24Å; F776-L780 HydrophobicContact CZ-CG 4.12Å; F776-L780 WeakPolarHBondContact O-CG 3.33Å; F776-L780 PolarHBondContact O-N 2.95Å; G777-L780 PolarHBondContact O-N 2.87Å; L780-S782 VanDerWaalsContact C-N 3.29Å; L780-S782 PolarHBondContact O-N 3.15Å; L780-I783 PolarHBondContact O-N 3.24Å; L780-I784 VanDerWaalsContact O-CG1 3.28Å; L780-I784 WeakPolarHBondContact O-CG1 3.35Å; L780-I784 PolarHBondContact O-N 2.9Å |
| 781 | M | 89.3 | Confident | 86 | Confident | 127 Ų | 127 | 72.5 Ų | 72.5 | 63% | 0.626 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.5 | -33.6 | 178.5 | -166.4 | 61 | 174.2 | 0 | 0 | 112.2 | G777 C779 I784 S785 | G777-M781 WeakPolarHBondContact O-CB 3.2Å; G777-M781 PolarHBondContact O-N 3.04Å; C779-M781 PolarHBondContact O-N 3.44Å; M781-I784 PolarHBondContact O-N 3.28Å; M781-S785 WeakPolarHBondContact O-CB 3.29Å; M781-S785 PolarHBondContact O-N 2.94Å |
| 782 | S | 86.8 | Confident | 84.4 | Confident | 70 Ų | 70 | 75.6 Ų | 75.6 | 49% | 0.49 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -69.8 | -38.2 | 174.9 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | H778 C779 L780 S785 S786 | H778-S782 WeakPolarHBondContact O-CB 3.32Å; H778-S782 PolarHBondContact O-N 3.32Å; H778-S782 PolarHBondContact O-OG 2.99Å; C779-S782 WeakPolarHBondContact O-CB 3.4Å; C779-S782 PolarHBondContact O-N 3.26Å; L780-S782 VanDerWaalsContact C-N 3.29Å; L780-S782 PolarHBondContact O-N 3.15Å; S782-S785 PolarHBondContact O-N 2.81Å; S782-S786 WeakPolarHBondContact O-CB 3.48Å; S782-S786 PolarHBondContact O-N 2.86Å; S782-S786 PolarHBondContact O-OG 3.4Å |
| 783 | I | 89.2 | Confident | 82.3 | Confident | 38 Ų | 38 | 78 Ų | 78 | 20% | 0.195 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 173.1 | -66.6 | 164.8 | 0 | 0 | 0 | 110 | V743 C779 L780 S786 A787 | V743-I783 HydrophobicContact CG1-CD1 3.67Å; V743-I783 HydrophobicContact CG1-CG1 3.79Å; C779-I783 WeakPolarHBondContact O-CG1 3.28Å; C779-I783 PolarHBondContact O-N 3.24Å; L780-I783 PolarHBondContact O-N 3.24Å; I783-S786 PolarHBondContact O-N 3.43Å; I783-A787 WeakPolarHBondContact O-CB 3.46Å; I783-A787 PolarHBondContact O-N 2.81Å |
| 784 | I | 87.1 | Confident | 80.2 | Confident | 111 Ų | 111 | 77.2 Ų | 77.2 | 57% | 0.569 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.5 | -45 | 176.9 | -67.7 | 164 | 0 | 0 | 0 | 111.1 | L780 M781 S786 A787 G788 | L780-I784 VanDerWaalsContact O-CG1 3.28Å; L780-I784 WeakPolarHBondContact O-CG1 3.35Å; L780-I784 PolarHBondContact O-N 2.9Å; M781-I784 PolarHBondContact O-N 3.28Å; I784-S786 VanDerWaalsContact C-N 3.34Å; I784-S786 PolarHBondContact O-N 2.75Å; I784-A787 PolarHBondContact O-N 2.82Å; I784-G788 PolarHBondContact O-N 2.91Å |
| 785 | S | 84.1 | Confident | 77.9 | Confident | 54 Ų | 54 | 76.5 Ų | 76.5 | 38% | 0.378 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 176.8 | -169.2 | 0 | 0 | 0 | 0 | 112 | M781 S782 G788 K789 | M781-S785 WeakPolarHBondContact O-CB 3.29Å; M781-S785 PolarHBondContact O-N 2.94Å; S782-S785 PolarHBondContact O-N 2.81Å; S785-G788 PolarHBondContact O-N 3.5Å; S785-K789 WeakPolarHBondContact O-CG 3.23Å; S785-K789 PolarHBondContact O-N 3.49Å |
| 786 | S | 81.9 | Confident | 75.5 | Confident | 68 Ų | 68 | 78 Ų | 78 | 48% | 0.476 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67 | -43.6 | 178.6 | -57.3 | 0 | 0 | 0 | 0 | 112.2 | S782 I783 I784 G788 K789 A790 | S782-S786 WeakPolarHBondContact O-CB 3.48Å; S782-S786 PolarHBondContact O-N 2.86Å; S782-S786 PolarHBondContact O-OG 3.4Å; I783-S786 PolarHBondContact O-N 3.43Å; I784-S786 VanDerWaalsContact C-N 3.34Å; I784-S786 PolarHBondContact O-N 2.75Å; S786-G788 VanDerWaalsContact C-N 3.27Å; S786-G788 PolarHBondContact O-N 3.28Å; S786-K789 PolarHBondContact O-N 2.91Å; S786-A790 PolarHBondContact O-N 2.83Å; S786-A790 VanDerWaalsContact O-N 3.13Å |
| 787 | A | 79.6 | Confident | 73.2 | Confident | 24 Ų | 24 | 80.5 Ų | 80.5 | 20% | 0.198 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -64.4 | -31.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F738 I783 I784 | F738-A787 HydrophobicContact CB-CB 4.29Å; F738-A787 HydrophobicContact CD1-CB 4Å; F738-A787 HydrophobicContact CD2-CB 3.78Å; F738-A787 HydrophobicContact CE1-CB 4.29Å; F738-A787 HydrophobicContact CE2-CB 4.08Å; F738-A787 HydrophobicContact CG-CB 3.74Å; F738-A787 HydrophobicContact CZ-CB 4.32Å; I783-A787 WeakPolarHBondContact O-CB 3.46Å; I783-A787 PolarHBondContact O-N 2.81Å; I784-A787 PolarHBondContact O-N 2.82Å |
| 788 | G | 73.9 | Confident | 70.8 | Confident | 36 Ų | 36 | 86 Ų | 86 | 37% | 0.371 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.1 | -52.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I784 S785 S786 A790 K791 T792 | I784-G788 PolarHBondContact O-N 2.91Å; S785-G788 PolarHBondContact O-N 3.5Å; S786-G788 VanDerWaalsContact C-N 3.27Å; S786-G788 PolarHBondContact O-N 3.28Å; G788-A790 PolarHBondContact O-N 2.96Å; G788-K791 WeakPolarHBondContact O-CA 3.4Å; G788-K791 WeakPolarHBondContact O-CB 3.36Å; G788-K791 PolarHBondContact O-N 3.26Å; G788-T792 PolarHBondContact O-N 3.16Å; G788-T792 PolarHBondContact O-OG1 3.46Å |
| 789 | K | 70.9 | Confident | 68 | Low | 127 Ų | 127 | 90 Ų | 90 | 55% | 0.552 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -58.8 | -46.2 | -178.6 | -72.2 | 169.4 | -177.2 | 174.2 | 0 | 112.7 | S785 S786 K791 T792 D793 | S785-K789 WeakPolarHBondContact O-CG 3.23Å; S785-K789 PolarHBondContact O-N 3.49Å; S786-K789 PolarHBondContact O-N 2.91Å; K789-K791 PolarHBondContact O-N 3.48Å; K789-T792 WeakPolarHBondContact O-CA 3.27Å; K789-T792 WeakPolarHBondContact O-CB 3.19Å; K789-T792 PolarHBondContact O-N 3.18Å; K789-D793 PolarHBondContact O-N 2.89Å |
| 790 | A | 60.4 | Low | 66.8 | Low | 44 Ų | 44 | 93.7 Ų | 93.7 | 36% | 0.364 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.9 | -17.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | F738 S786 G788 | F738-A790 HydrophobicContact CE1-CB 3.65Å; F738-A790 HydrophobicContact CZ-CB 3.68Å; S786-A790 PolarHBondContact O-N 2.83Å; S786-A790 VanDerWaalsContact O-N 3.13Å; G788-A790 PolarHBondContact O-N 2.96Å |
| 791 | K | 57.6 | Low | 65.4 | Low | 146 Ų | 146 | 94.6 Ų | 94.6 | 64% | 0.635 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -81.9 | -32.9 | 172.3 | -137.4 | 175.8 | -172.2 | 179.6 | 0 | 112.1 | G788 K789 | G788-K791 WeakPolarHBondContact O-CA 3.4Å; G788-K791 WeakPolarHBondContact O-CB 3.36Å; G788-K791 PolarHBondContact O-N 3.26Å; K789-K791 PolarHBondContact O-N 3.48Å |
| 792 | T | 58.1 | Low | 64.1 | Low | 90 Ų | 90 | 92.8 Ų | 92.8 | 55% | 0.552 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -75.6 | -47.2 | 176.2 | -36 | 0 | 0 | 0 | 0 | 111.7 | G788 K789 C794 A795 | G788-T792 PolarHBondContact O-N 3.16Å; G788-T792 PolarHBondContact O-OG1 3.46Å; K789-T792 WeakPolarHBondContact O-CA 3.27Å; K789-T792 WeakPolarHBondContact O-CB 3.19Å; K789-T792 PolarHBondContact O-N 3.18Å; T792-C794 PolarHBondContact O-N 3.25Å; T792-A795 WeakPolarHBondContact O-CB 3.36Å; T792-A795 PolarHBondContact O-N 3.4Å |
| 793 | D | 51.5 | Low | 62.7 | Low | 101 Ų | 101 | 94.2 Ų | 94.2 | 54% | 0.54 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.4 | -29 | -178.6 | -61.1 | -41.4 | 0 | 0 | 0 | 112.1 | K789 A795 S796 | K789-D793 PolarHBondContact O-N 2.89Å; D793-A795 VanDerWaalsContact C-N 3.27Å; D793-A795 PolarHBondContact O-N 3.38Å; D793-S796 PolarHBondContact O-N 3.38Å |
| 794 | C | 50.7 | Low | 61.1 | Low | 101 Ų | 101 | 97.7 Ų | 97.7 | 68% | 0.682 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -19.2 | 174.3 | -167.8 | 0 | 0 | 0 | 0 | 113.8 | T792 | T792-C794 PolarHBondContact O-N 3.25Š|
| 795 | A | 47.3 | Very low | 59.4 | Low | 76 Ų | 76 | 96.8 Ų | 96.8 | 63% | 0.628 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -23.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T792 D793 I797 | T792-A795 WeakPolarHBondContact O-CB 3.36Å; T792-A795 PolarHBondContact O-N 3.4Å; D793-A795 VanDerWaalsContact C-N 3.27Å; D793-A795 PolarHBondContact O-N 3.38Å; A795-I797 VanDerWaalsContact C-N 3.3Å; A795-I797 PolarHBondContact O-N 3.43Å |
| 796 | S | 45.5 | Very low | 57.6 | Low | 91 Ų | 91 | 99.9 Ų | 99.9 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -2.1 | -175.1 | -54.8 | 0 | 0 | 0 | 0 | 115.1 | D793 | D793-S796 PolarHBondContact O-N 3.38Š|
| 797 | I | 48.7 | Very low | 55.7 | Low | 141 Ų | 141 | 102.3 Ų | 102.3 | 72% | 0.723 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -4.5 | -173.1 | -68.9 | 174.4 | 0 | 0 | 0 | 112.8 | A795 | A795-I797 VanDerWaalsContact C-N 3.3Å; A795-I797 PolarHBondContact O-N 3.43Å |
| 798 | N | 45.1 | Very low | 53.7 | Low | 152 Ų | 152 | 108.8 Ų | 108.8 | 81% | 0.813 | 66% | 0.655 | S | S | * | * | | | trans | -101.2 | 79.7 | 170.8 | -88.2 | 12.3 | 0 | 0 | 0 | 111.2 | | |
| 799 | C | 35 | Very low | 51.9 | Low | 201 Ų | 201 | 115.5 Ų | 115.5 | 100% | 1.358 | 68% | 0.68 | S | S | * | * | | | trans | -146.8 | 0 | 160.1 | -83.7 | 0 | 0 | 0 | 0 | 108.4 | | |