| 1 | M | 42.9 | Very low | 49 | Very low | 245 Ų | 245 | 174.3 Ų | 174.3 | 100% | 1.207 | 89% | 0.893 | S | S | * | * | | | | 0 | 101.7 | 0 | -92.4 | 170.3 | 58.7 | 0 | 0 | 109.1 | | |
| 2 | M | 46.5 | Very low | 48.7 | Very low | 193 Ų | 193 | 164.6 Ų | 164.6 | 95% | 0.951 | 87% | 0.868 | S | S | * | * | | | trans | -84.2 | 121.1 | 173.7 | -75 | -151.1 | 175.6 | 0 | 0 | 110 | R4 | M2-R4 PolarHBondContact O-N 3.16Š|
| 3 | G | 46.1 | Very low | 48.8 | Very low | 74 Ų | 74 | 169.8 Ų | 169.8 | 76% | 0.763 | 87% | 0.869 | S | S | * | * | | | trans | -66.4 | 120.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R5 | G3-R5 PolarHBondContact O-N 2.96Š|
| 4 | R | 58.3 | Low | 48.6 | Very low | 240 Ų | 240 | 168.9 Ų | 168.9 | 91% | 0.906 | 87% | 0.867 | S | S | * | * | | | trans | -72.1 | 108 | 174.6 | -73.5 | -174.6 | -91.6 | -136.8 | -1.5 | 109.2 | M2 R6 | M2-R4 PolarHBondContact O-N 3.16Å; R4-R6 PolarHBondContact O-N 3.1Å |
| 5 | R | 57.7 | Low | 47.9 | Very low | 244 Ų | 244 | 162.7 Ų | 162.7 | 92% | 0.921 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 120.1 | 167 | -64.1 | -179.4 | -176.1 | -111.4 | 1.1 | 107.6 | G3 | G3-R5 PolarHBondContact O-N 2.96Š|
| 6 | R | 58.2 | Low | 47.9 | Very low | 222 Ų | 222 | 159.8 Ų | 159.8 | 84% | 0.838 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 121.4 | 169.7 | -65.9 | -175.8 | -124.7 | -102.6 | 2.3 | 107.5 | R4 | R4-R6 PolarHBondContact O-N 3.1Š|
| 7 | A | 48.8 | Very low | 47.3 | Very low | 102 Ų | 102 | 154.7 Ų | 154.7 | 84% | 0.843 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 133.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 8 | F | 42.3 | Very low | 47.4 | Very low | 197 Ų | 197 | 157.5 Ų | 157.5 | 86% | 0.864 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 121.8 | 167.9 | -64.3 | -82.2 | 0 | 0 | 0 | 107.6 | | |
| 9 | A | 48.2 | Very low | 47.4 | Very low | 98 Ų | 98 | 152.8 Ų | 152.8 | 81% | 0.81 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 124.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 10 | V | 43.5 | Very low | 47.2 | Very low | 145 Ų | 145 | 154 Ų | 154 | 88% | 0.879 | 86% | 0.861 | S | S | * | * | | | trans | -77.4 | 114 | 162.9 | 153.3 | 0 | 0 | 0 | 0 | 106.1 | | |
| 11 | D | 46.2 | Very low | 47.6 | Very low | 157 Ų | 157 | 150.9 Ų | 150.9 | 84% | 0.84 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 120.3 | 170.8 | -159.6 | 16.9 | 0 | 0 | 0 | 108.7 | | |
| 12 | G | 45.4 | Very low | 48 | Very low | 58 Ų | 58 | 151.4 Ų | 151.4 | 60% | 0.598 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 129.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | D14 | G12-D14 PolarHBondContact O-N 2.74Š|
| 13 | R | 50.3 | Low | 48.5 | Very low | 232 Ų | 232 | 144.8 Ų | 144.8 | 88% | 0.875 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 127.4 | 176 | -68.9 | 168.1 | 115.8 | -116.4 | 6.3 | 111 | | |
| 14 | D | 46.6 | Very low | 49 | Very low | 158 Ų | 158 | 147.1 Ų | 147.1 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | | | | 177.7 | 130.9 | 119.5 | -87.6 | -19.9 | 0 | 0 | 0 | 110 | G12 | G12-D14 PolarHBondContact O-N 2.74Š|
| 15 | G | 37.6 | Very low | 49.3 | Very low | 75 Ų | 75 | 142.1 Ų | 142.1 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | | | trans | 157.9 | 108.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 16 | A | 47.8 | Very low | 49.4 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 96% | 0.959 | 80% | 0.802 | S | S | * | * | | | trans | -53.8 | 136.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 17 | G | 38.5 | Very low | 49.2 | Very low | 74 Ų | 74 | 130.5 Ų | 130.5 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | | | trans | -173.6 | 90 | 175 | 0 | 0 | 0 | 0 | 0 | 109.9 | G19 | G17-G19 PolarHBondContact O-N 2.77Å; G17-G19 VanDerWaalsContact O-N 3.16Å |
| 18 | E | 48.7 | Very low | 49.8 | Very low | 205 Ų | 205 | 129.7 Ų | 129.7 | 96% | 0.958 | 80% | 0.803 | S | S | * | * | | | trans | -62.8 | 109.6 | 175.3 | -70.9 | 165.3 | 159.4 | 0 | 0 | 110.1 | | |
| 19 | G | 47.8 | Very low | 50.6 | Low | 68 Ų | 68 | 124.6 Ų | 124.6 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | trans | -161.1 | 76.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | G17 A21 | G17-G19 PolarHBondContact O-N 2.77Å; G17-G19 VanDerWaalsContact O-N 3.16Å; G19-A21 VanDerWaalsContact C-N 3.34Å; G19-A21 PolarHBondContact O-N 3.35Å |
| 20 | L | 43.5 | Very low | 51.1 | Low | 176 Ų | 176 | 127.4 Ų | 127.4 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | | | trans | -64.5 | 84.5 | -170.1 | -72.2 | 164.1 | 0 | 0 | 0 | 112.2 | R22 | L20-R22 PolarHBondContact O-N 3.14Š|
| 21 | A | 54.3 | Low | 51.6 | Low | 90 Ų | 90 | 123.2 Ų | 123.2 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | | | trans | -69.5 | 111.1 | 157 | 0 | 0 | 0 | 0 | 0 | 107.8 | G19 G23 | G19-A21 VanDerWaalsContact C-N 3.34Å; G19-A21 PolarHBondContact O-N 3.35Å; A21-G23 VanDerWaalsContact C-N 3.33Å; A21-G23 PolarHBondContact O-N 3.34Å |
| 22 | R | 52.3 | Low | 52.4 | Low | 256 Ų | 256 | 120.6 Ų | 120.6 | 97% | 0.966 | 76% | 0.761 | S | S | * | * | | | trans | -60.4 | 90.2 | 175.6 | -77.1 | -176.8 | 174.7 | -156.6 | -0.6 | 110.2 | L20 | L20-R22 PolarHBondContact O-N 3.14Š|
| 23 | G | 57.4 | Low | 53.2 | Low | 54 Ų | 54 | 127.2 Ų | 127.2 | 56% | 0.557 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 132.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | A21 I25 | A21-G23 VanDerWaalsContact C-N 3.33Å; A21-G23 PolarHBondContact O-N 3.34Å; G23-I25 PolarHBondContact O-N 3Å |
| 24 | C | 55.1 | Low | 54 | Low | 123 Ų | 123 | 126.9 Ų | 126.9 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 116.4 | 168.8 | 35.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 25 | I | 64.8 | Low | 54.6 | Low | 134 Ų | 134 | 130.4 Ų | 130.4 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 118.9 | 171.8 | -59.3 | 172.8 | 0 | 0 | 0 | 107 | G23 | G23-I25 PolarHBondContact O-N 3Š|
| 26 | V | 60.9 | Low | 55.7 | Low | 99 Ų | 99 | 133.8 Ų | 133.8 | 60% | 0.6 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 119 | 171.5 | -178.4 | 0 | 0 | 0 | 0 | 107.9 | G28 | V26-G28 PolarHBondContact O-N 3.31Š|
| 27 | P | 53.8 | Low | 56.2 | Low | 123 Ų | 123 | 133.6 Ų | 133.6 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | 133.6 | -179.7 | -20.2 | 31.3 | 0 | 0 | 0 | 111.7 | | |
| 28 | G | 60.3 | Low | 56.6 | Low | 86 Ų | 86 | 137 Ų | 137 | 89% | 0.887 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104.4 | -2.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | V26 | V26-G28 PolarHBondContact O-N 3.31Š|
| 29 | V | 60.3 | Low | 56.7 | Low | 89 Ų | 89 | 132.6 Ų | 132.6 | 54% | 0.539 | 76% | 0.757 | S | S | . | * | | | trans | -117.4 | 128.3 | 176.9 | -163.2 | 0 | 0 | 0 | 0 | 109 | S31 | V29-S31 PolarHBondContact O-N 3.17Š|
| 30 | T | 58.3 | Low | 56.9 | Low | 157 Ų | 157 | 133.2 Ų | 133.2 | 96% | 0.963 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -77.6 | -0.9 | 177.9 | 49.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 31 | S | 53 | Low | 56.9 | Low | 58 Ų | 58 | 134.4 Ų | 134.4 | 41% | 0.406 | 76% | 0.756 | S | S | . | * | | | trans | -103.5 | 122.1 | 178.8 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | V29 | V29-S31 PolarHBondContact O-N 3.17Š|
| 32 | T | 64.6 | Low | 55.8 | Low | 101 Ų | 101 | 133.6 Ų | 133.6 | 62% | 0.62 | 76% | 0.756 | S | S | * | * | | | trans | -96.8 | 114.5 | 169 | 41.1 | 0 | 0 | 0 | 0 | 108.6 | R34 | T32-R34 PolarHBondContact O-N 3.32Š|
| 33 | Y | 61.2 | Low | 55 | Low | 197 Ų | 197 | 127.9 Ų | 127.9 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | trans | -80.4 | 113.9 | 171.8 | -71.2 | -87.7 | 0 | 0 | 0 | 109.1 | | |
| 34 | R | 67.9 | Low | 54 | Low | 225 Ų | 225 | 130.7 Ų | 130.7 | 85% | 0.849 | 77% | 0.765 | S | S | * | * | | | trans | -82.2 | 123.8 | 166.9 | -69.6 | -164 | 177.7 | -151.5 | 1.4 | 108.8 | T32 I36 | T32-R34 PolarHBondContact O-N 3.32Å; R34-I36 PolarHBondContact O-N 2.82Å |
| 35 | R | 58.4 | Low | 53.1 | Low | 232 Ų | 232 | 128.7 Ų | 128.7 | 88% | 0.875 | 75% | 0.753 | S | S | * | * | | | trans | -71.2 | 115 | 169.7 | -158.6 | 175.8 | -172.4 | -150.6 | -0.5 | 107.5 | | |
| 36 | I | 60.3 | Low | 51.8 | Low | 147 Ų | 147 | 134.5 Ų | 134.5 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 123.3 | 172.5 | -57.9 | 172.4 | 0 | 0 | 0 | 106.1 | R34 D38 | R34-I36 PolarHBondContact O-N 2.82Å; I36-D38 PolarHBondContact O-N 3.33Å |
| 37 | P | 58.8 | Low | 50.4 | Low | 112 Ų | 112 | 138.4 Ų | 138.4 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 127.7 | 177.1 | 25.7 | -30.9 | 0 | 0 | 0 | 109.3 | A39 | P37-A39 PolarHBondContact O-N 2.99Š|
| 38 | D | 47.3 | Very low | 49.6 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63 | 117.8 | 171.4 | -72.7 | -41.8 | 0 | 0 | 0 | 108.2 | I36 A40 | I36-D38 PolarHBondContact O-N 3.33Å; D38-A40 VanDerWaalsContact C-N 3.27Å; D38-A40 PolarHBondContact O-N 3.28Å |
| 39 | A | 51.3 | Low | 48.2 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | | | trans | -69.4 | 86.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | P37 | P37-A39 PolarHBondContact O-N 2.99Š|
| 40 | A | 51.3 | Low | 47 | Very low | 82 Ų | 82 | 145.6 Ų | 145.6 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | | | trans | -128.7 | 61.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | D38 | D38-A40 VanDerWaalsContact C-N 3.27Å; D38-A40 PolarHBondContact O-N 3.28Å |
| 41 | H | 42.8 | Very low | 46.1 | Very low | 201 Ų | 201 | 145.5 Ų | 145.5 | 93% | 0.931 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -172.4 | 128.2 | 151.8 | -116.2 | 61.1 | 0 | 0 | 0 | 111.8 | | |
| 42 | G | 32.5 | Very low | 45.5 | Very low | 72 Ų | 72 | 153.2 Ų | 153.2 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | | | trans | 116.7 | 76.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | S44 | G42-S44 PolarHBondContact O-N 2.98Š|
| 43 | C | 34.6 | Very low | 44.2 | Very low | 137 Ų | 137 | 160 Ų | 160 | 93% | 0.926 | 81% | 0.811 | S | S | * | * | | | trans | -63.3 | 120.9 | 155.6 | -174.4 | 0 | 0 | 0 | 0 | 109 | | |
| 44 | S | 36.3 | Very low | 42.8 | Very low | 112 Ų | 112 | 153.8 Ų | 153.8 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | | | trans | -150.1 | 117.2 | 150.4 | 60.6 | 0 | 0 | 0 | 0 | 111.8 | G42 | G42-S44 PolarHBondContact O-N 2.98Š|
| 45 | S | 37.4 | Very low | 41.3 | Very low | 82 Ų | 82 | 150.3 Ų | 150.3 | 57% | 0.573 | 81% | 0.81 | S | S | * | * | | | trans | 41.4 | 90.8 | 142.9 | -153.2 | 0 | 0 | 0 | 0 | 119.7 | E47 | S45-E47 VanDerWaalsContact C-N 3.34Å; S45-E47 PolarHBondContact O-N 3.43Å |
| 46 | W | 37.1 | Very low | 40 | Very low | 256 Ų | 256 | 142.5 Ų | 142.5 | 97% | 0.97 | 80% | 0.803 | S | S | * | * | | | trans | -30.1 | 88.9 | 134 | 51.5 | -42 | 0 | 0 | 0 | 114 | | |
| 47 | E | 30.8 | Very low | 39.1 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | | | trans | -108.1 | 104.1 | 166.9 | -150.5 | 162.8 | -152 | 0 | 0 | 110.3 | S45 | S45-E47 VanDerWaalsContact C-N 3.34Å; S45-E47 PolarHBondContact O-N 3.43Å |
| 48 | R | 38.1 | Very low | 38.2 | Very low | 249 Ų | 249 | 150.9 Ų | 150.9 | 94% | 0.94 | 82% | 0.818 | S | S | * | * | | | trans | -79.1 | 117.9 | 167.1 | 169.5 | -176.7 | -71.4 | -145.9 | -2.7 | 107.3 | | |
| 49 | G | 30.2 | Very low | 37.7 | Very low | 70 Ų | 70 | 147.8 Ų | 147.8 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | | | trans | -163.6 | 77.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 50 | D | 35.5 | Very low | 37.3 | Very low | 130 Ų | 130 | 150 Ų | 150 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | | | trans | 35.5 | 135.1 | 138.8 | -130.4 | 7.1 | 0 | 0 | 0 | 123.6 | | |
| 51 | K | 38.4 | Very low | 36.9 | Very low | 154 Ų | 154 | 155.7 Ų | 155.7 | 67% | 0.67 | 82% | 0.818 | S | S | * | * | | | trans | 69.2 | 102.4 | 151.8 | -69.2 | 154 | -178.7 | 147.2 | 0 | 120.2 | | |
| 52 | F | 41 | Very low | 36.7 | Very low | 221 Ų | 221 | 153.8 Ų | 153.8 | 97% | 0.969 | 81% | 0.814 | S | S | * | * | | | | -133 | 126.1 | 119.8 | -83.6 | -77.4 | 0 | 0 | 0 | 111.6 | | |
| 53 | R | 36.6 | Very low | 37.1 | Very low | 243 Ų | 243 | 159.3 Ų | 159.3 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | | | trans | -80.7 | 135.6 | 176.7 | 177.4 | -164.5 | -59 | -91.1 | 1.7 | 108.4 | | |
| 54 | G | 32.9 | Very low | 37.5 | Very low | 66 Ų | 66 | 160.2 Ų | 160.2 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | | | trans | 169.3 | 91 | 166.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 55 | V | 35.2 | Very low | 37.6 | Very low | 152 Ų | 152 | 158.8 Ų | 158.8 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | | | trans | 70 | 99.8 | 143 | -165.6 | 0 | 0 | 0 | 0 | 119 | | |
| 56 | G | 32.2 | Very low | 38.1 | Very low | 69 Ų | 69 | 160.8 Ų | 160.8 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | | | | 95 | 88.5 | 114.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 57 | R | 40.9 | Very low | 38.6 | Very low | 247 Ų | 247 | 160.5 Ų | 160.5 | 93% | 0.932 | 82% | 0.82 | S | S | * | * | | | | 168.2 | 97.3 | 120.2 | -99.7 | -176 | 175.5 | -149.4 | -0.3 | 109.5 | | |
| 58 | E | 40.2 | Very low | 39.6 | Very low | 188 Ų | 188 | 159 Ų | 159 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | | | trans | -64.1 | 133.1 | 139.4 | -82.2 | 118.4 | 159.2 | 0 | 0 | 108.3 | | |
| 59 | A | 36.5 | Very low | 40 | Very low | 81 Ų | 81 | 152.5 Ų | 152.5 | 67% | 0.669 | 81% | 0.811 | S | S | * | * | | | | 172.2 | 114.2 | 114.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 60 | L | 42.1 | Very low | 40.8 | Very low | 157 Ų | 157 | 152.2 Ų | 152.2 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | | | trans | 68.7 | 84.5 | 134 | -57.5 | 165.8 | 0 | 0 | 0 | 116.1 | L62 | L60-L62 PolarHBondContact O-N 3.23Š|
| 61 | F | 42.8 | Very low | 41.6 | Very low | 201 Ų | 201 | 152.5 Ų | 152.5 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | | | | -42.3 | 124.6 | 126.2 | -74.6 | -91.2 | 0 | 0 | 0 | 109.1 | | |
| 62 | L | 40.1 | Very low | 42.8 | Very low | 162 Ų | 162 | 154 Ų | 154 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | | | trans | 173.3 | 143.1 | 132.5 | -90.5 | 148.4 | 0 | 0 | 0 | 108.1 | L60 | L60-L62 PolarHBondContact O-N 3.23Š|
| 63 | K | 39.1 | Very low | 43.4 | Very low | 188 Ų | 188 | 151.1 Ų | 151.1 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | | | trans | 98.3 | 112.4 | 152 | -137.1 | 170.4 | -175.4 | 167.9 | 0 | 115.7 | | |
| 64 | L | 44.8 | Very low | 44.1 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | | | trans | 143.1 | 84.3 | 133.1 | -74.6 | 151.3 | 0 | 0 | 0 | 106.4 | | |
| 65 | A | 38.3 | Very low | 44.7 | Very low | 83 Ų | 83 | 147.7 Ų | 147.7 | 69% | 0.686 | 82% | 0.818 | S | S | * | * | | | | 61.9 | 105.7 | 89.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | R67 | A65-R67 PolarHBondContact O-N 2.71Š|
| 66 | S | 47.1 | Very low | 45.4 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | | | trans | -30.1 | 117.3 | 159.5 | 47.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 67 | R | 48 | Very low | 46.1 | Very low | 249 Ų | 249 | 147.8 Ų | 147.8 | 94% | 0.94 | 81% | 0.811 | S | S | * | * | | | trans | -119.4 | 119.7 | 162.3 | -123.9 | -176.6 | 172.6 | 169.1 | -2.9 | 109 | A65 | A65-R67 PolarHBondContact O-N 2.71Š|
| 68 | D | 50.6 | Low | 46 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | | | trans | -68.1 | 159.5 | -178.7 | 175.2 | 31.2 | 0 | 0 | 0 | 112.9 | | |
| 69 | S | 47 | Very low | 46.3 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | trans | 77.7 | 131.5 | 152.3 | -162.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 70 | G | 46.8 | Very low | 46.6 | Very low | 63 Ų | 63 | 143.6 Ų | 143.6 | 65% | 0.649 | 82% | 0.817 | S | S | * | * | | | trans | 157.1 | 71.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 71 | V | 52.2 | Low | 46.4 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | | | trans | -74.5 | 118.2 | 157.4 | 164.4 | 0 | 0 | 0 | 0 | 107 | M73 | V71-M73 HydrophobicContact CG1-CG 4.34Š|
| 72 | E | 64.4 | Low | 46.1 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | | | trans | -121.4 | 111.2 | 166.2 | 50.4 | -164.4 | 143.1 | 0 | 0 | 109.9 | | |
| 73 | M | 53.2 | Low | 46 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 79% | 0.788 | 82% | 0.815 | S | S | * | * | | | trans | -75.4 | 115 | 172.1 | -64.4 | -72.8 | -71.6 | 0 | 0 | 107.7 | V71 V75 | V71-M73 HydrophobicContact CG1-CG 4.34Å; M73-V75 VanDerWaalsContact C-N 3.33Å; M73-V75 PolarHBondContact O-N 3.36Å |
| 74 | A | 51 | Low | 46.2 | Very low | 109 Ų | 109 | 133 Ų | 133 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | | | trans | -74.6 | 91.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 75 | V | 45.8 | Very low | 45.8 | Very low | 128 Ų | 128 | 128.9 Ų | 128.9 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | | | trans | -63.6 | 138 | 157.7 | 166.6 | 0 | 0 | 0 | 0 | 108.3 | M73 | M73-V75 VanDerWaalsContact C-N 3.33Å; M73-V75 PolarHBondContact O-N 3.36Å |
| 76 | G | 49.8 | Very low | 45.7 | Very low | 57 Ų | 57 | 133.1 Ų | 133.1 | 59% | 0.588 | 82% | 0.818 | S | S | * | * | | | trans | -63.8 | 153 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 77 | D | 46.7 | Very low | 45.2 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | | | trans | -172.9 | 129.5 | 136.9 | -86.2 | -30.4 | 0 | 0 | 0 | 109.5 | | |
| 78 | S | 39.5 | Very low | 45.2 | Very low | 122 Ų | 122 | 130 Ų | 130 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | | | trans | -75.2 | 152.1 | 175.8 | -61.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 79 | P | 45.8 | Very low | 44.7 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | -124.5 | 122.7 | 145.4 | 29.8 | -15.5 | 0 | 0 | 0 | 112.8 | | |
| 80 | L | 43 | Very low | 44.6 | Very low | 180 Ų | 180 | 129.5 Ų | 129.5 | 94% | 0.942 | 81% | 0.808 | S | S | * | * | | | trans | -53.6 | 130 | 161.3 | -94.6 | 137.7 | 0 | 0 | 0 | 111.7 | | |
| 81 | A | 38.3 | Very low | 44.2 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | | | trans | -167.2 | 120.7 | 140.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 82 | A | 35.8 | Very low | 44 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | | | trans | 74.3 | 95 | 143.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 83 | L | 38.6 | Very low | 42.8 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | | | | -142.5 | 138 | 120 | -85 | 179.7 | 0 | 0 | 0 | 110 | | |
| 84 | P | 43.8 | Very low | 42 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | | | trans | -96.4 | 140 | -172 | 35.9 | -30.5 | 0 | 0 | 0 | 113.4 | | |
| 85 | G | 35.8 | Very low | 41.9 | Very low | 69 Ų | 69 | 136 Ų | 136 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | | | trans | 79.9 | 111.2 | 147.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 86 | L | 35.6 | Very low | 41.5 | Very low | 172 Ų | 172 | 135.8 Ų | 135.8 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | | | | -161.3 | 122.1 | 107.6 | -82 | -170.5 | 0 | 0 | 0 | 110 | | |
| 87 | S | 38.2 | Very low | 40.9 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | | | trans | 7.1 | 128.1 | 160.6 | 55.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 88 | Q | 47 | Very low | 40.4 | Very low | 199 Ų | 199 | 133.8 Ų | 133.8 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | | | trans | -64 | 129.8 | 153.3 | -69.4 | 169.5 | -31.3 | 0 | 0 | 110.1 | | |
| 89 | D | 39.5 | Very low | 40.6 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | | | trans | -148.4 | 143.5 | 145.1 | -150.1 | 2.2 | 0 | 0 | 0 | 110.6 | | |
| 90 | S | 45.6 | Very low | 40.4 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 63% | 0.629 | 80% | 0.804 | S | S | * | * | | | trans | -68.8 | 135.2 | -171.4 | 178.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 91 | L | 39.5 | Very low | 41 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | | | trans | -150 | 102.6 | 150.3 | -74.2 | -176.3 | 0 | 0 | 0 | 110.3 | | |
| 92 | D | 46.8 | Very low | 41.7 | Very low | 138 Ų | 138 | 129.7 Ų | 129.7 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | | | trans | -60.2 | 135.4 | 146.3 | -70.9 | -48.5 | 0 | 0 | 0 | 108.3 | | |
| 93 | F | 38.6 | Very low | 42.7 | Very low | 188 Ų | 188 | 128.2 Ų | 128.2 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | | | trans | 169.8 | 117 | 139 | -100.2 | -78.7 | 0 | 0 | 0 | 112.1 | | |
| 94 | E | 38.2 | Very low | 43.5 | Very low | 176 Ų | 176 | 125.1 Ų | 125.1 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | 60.3 | 135.4 | 141 | -76.2 | -173.2 | 123.6 | 0 | 0 | 125.4 | | |
| 95 | S | 47.8 | Very low | 44.5 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | | | trans | -48.5 | 127.3 | 166.3 | 161 | 0 | 0 | 0 | 0 | 115.5 | | |
| 96 | S | 38.5 | Very low | 46 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 87% | 0.867 | 73% | 0.732 | S | S | * | * | | | trans | -177.1 | 141.1 | 134.3 | -97 | 0 | 0 | 0 | 0 | 112.5 | | |
| 97 | G | 35.6 | Very low | 47.6 | Very low | 75 Ų | 75 | 124.3 Ų | 124.3 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | | | trans | 116.4 | 56.9 | 154 | 0 | 0 | 0 | 0 | 0 | 116.3 | S99 | G97-S99 PolarHBondContact O-N 3.47Å; G97-S99 VanDerWaalsContact O-N 3.16Å |
| 98 | S | 36 | Very low | 49.3 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | | | trans | -59 | 112.8 | 156 | 170.4 | 0 | 0 | 0 | 0 | 108.9 | E100 | S98-E100 VanDerWaalsContact C-N 3.32Å; S98-E100 PolarHBondContact O-N 3.04Å; S98-E100 VanDerWaalsContact O-N 3.1Å |
| 99 | S | 44.2 | Very low | 50.7 | Low | 118 Ų | 118 | 119.6 Ų | 119.6 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | | | trans | -75.3 | 87.4 | 163.5 | 64.5 | 0 | 0 | 0 | 0 | 108.5 | G97 | G97-S99 PolarHBondContact O-N 3.47Å; G97-S99 VanDerWaalsContact O-N 3.16Å |
| 100 | E | 42.3 | Very low | 52.3 | Low | 121 Ų | 121 | 114.8 Ų | 114.8 | 57% | 0.565 | 68% | 0.679 | S | S | * | * | | | trans | -80.9 | 133.4 | 172.8 | -163.2 | 177.1 | 155.3 | 0 | 0 | 110.3 | S98 Q104 | S98-E100 VanDerWaalsContact C-N 3.32Å; S98-E100 PolarHBondContact O-N 3.04Å; S98-E100 VanDerWaalsContact O-N 3.1Å; E100-Q104 PolarHBondContact OE1-NE2 3.42Å; E100-Q104 PolarHBondContact OE2-NE2 3.45Å; E100-Q104 VanDerWaalsContact OE2-NE2 3.14Å |
| 101 | P | 55.5 | Low | 53.8 | Low | 91 Ų | 91 | 113.7 Ų | 113.7 | 59% | 0.591 | 67% | 0.672 | S | S | * | * | | | trans | -72.4 | 165.5 | -179.8 | 28.4 | -33.8 | 0 | 0 | 0 | 112.8 | A103 | P101-A103 PolarHBondContact O-N 3.49Š|
| 102 | P | 53.2 | Low | 56.1 | Low | 110 Ų | 110 | 111.1 Ų | 111.1 | 71% | 0.714 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 28 | -169.9 | 31.2 | -38.1 | 0 | 0 | 0 | 115.7 | Q104 V105 | P102-Q104 PolarHBondContact O-N 3.34Å; P102-V105 PolarHBondContact O-N 3.43Å |
| 103 | A | 55.6 | Low | 58.1 | Low | 64 Ų | 64 | 110.9 Ų | 110.9 | 53% | 0.529 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -65.5 | -25.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | P101 R107 | P101-A103 PolarHBondContact O-N 3.49Å; A103-R107 PolarHBondContact O-N 3.08Å; A103-R107 VanDerWaalsContact O-N 3.17Å |
| 104 | Q | 57.2 | Low | 60.5 | Low | 107 Ų | 107 | 107.1 Ų | 107.1 | 50% | 0.5 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.8 | -36.4 | 177.4 | -70.7 | 177.1 | 12.1 | 0 | 0 | 112.1 | E100 P102 R107 L108 | E100-Q104 PolarHBondContact OE1-NE2 3.42Å; E100-Q104 PolarHBondContact OE2-NE2 3.45Å; E100-Q104 VanDerWaalsContact OE2-NE2 3.14Å; P102-Q104 PolarHBondContact O-N 3.34Å; Q104-R107 PolarHBondContact O-N 3.44Å; Q104-L108 VanDerWaalsContact O-CG 3.28Å; Q104-L108 WeakPolarHBondContact O-CG 3.49Å; Q104-L108 PolarHBondContact O-N 3.18Å |
| 105 | V | 63.9 | Low | 62.9 | Low | 102 Ų | 102 | 100.5 Ų | 100.5 | 62% | 0.618 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.3 | -41 | 178 | -176 | 0 | 0 | 0 | 0 | 111 | P102 R107 L108 L109 | P102-V105 PolarHBondContact O-N 3.43Å; V105-R107 VanDerWaalsContact C-N 3.34Å; V105-R107 PolarHBondContact O-N 3.03Å; V105-L108 PolarHBondContact O-N 3.45Å; V105-L109 WeakPolarHBondContact O-CB 3.41Å; V105-L109 PolarHBondContact O-N 3.32Å |
| 106 | G | 66.5 | Low | 64.9 | Low | 46 Ų | 46 | 98.8 Ų | 98.8 | 47% | 0.474 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64 | -37.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A110 | G106-A110 WeakPolarHBondContact O-CB 3.28Å; G106-A110 PolarHBondContact O-N 2.79Å |
| 107 | R | 70.3 | Confident | 67.3 | Low | 196 Ų | 196 | 97.2 Ų | 97.2 | 74% | 0.74 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.4 | -42.8 | 175.5 | -171.5 | -173.8 | -62.1 | -122.1 | 2.6 | 111.9 | A103 Q104 V105 A110 S111 | A103-R107 PolarHBondContact O-N 3.08Å; A103-R107 VanDerWaalsContact O-N 3.17Å; Q104-R107 PolarHBondContact O-N 3.44Å; V105-R107 VanDerWaalsContact C-N 3.34Å; V105-R107 PolarHBondContact O-N 3.03Å; R107-A110 PolarHBondContact O-N 3.12Å; R107-S111 PolarHBondContact O-N 3.06Å |
| 108 | L | 74.2 | Confident | 69.6 | Low | 118 Ų | 118 | 98 Ų | 98 | 62% | 0.618 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.8 | -43.9 | 177.9 | -69.2 | 170.2 | 0 | 0 | 0 | 111.3 | Q104 V105 A110 S111 Q112 | Q104-L108 VanDerWaalsContact O-CG 3.28Å; Q104-L108 WeakPolarHBondContact O-CG 3.49Å; Q104-L108 PolarHBondContact O-N 3.18Å; V105-L108 PolarHBondContact O-N 3.45Å; L108-A110 PolarHBondContact O-N 2.97Å; L108-S111 PolarHBondContact O-N 3.4Å; L108-S111 PolarHBondContact O-OG 3.16Å; L108-Q112 PolarHBondContact O-N 3.44Å |
| 109 | L | 76.4 | Confident | 71.9 | Confident | 92 Ų | 92 | 97.5 Ų | 97.5 | 48% | 0.482 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63 | -39.9 | 177.1 | -161.2 | 90.6 | 0 | 0 | 0 | 112.3 | V105 Q112 K113 | V105-L109 WeakPolarHBondContact O-CB 3.41Å; V105-L109 PolarHBondContact O-N 3.32Å; L109-Q112 PolarHBondContact O-N 3.16Å; L109-K113 WeakPolarHBondContact O-CG 3.3Å; L109-K113 PolarHBondContact O-N 3.29Å; L109-K113 VanDerWaalsContact O-N 3.08Å |
| 110 | A | 71.9 | Confident | 73.7 | Confident | 60 Ų | 60 | 99.2 Ų | 99.2 | 50% | 0.496 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G106 R107 L108 K113 L114 | G106-A110 WeakPolarHBondContact O-CB 3.28Å; G106-A110 PolarHBondContact O-N 2.79Å; R107-A110 PolarHBondContact O-N 3.12Å; L108-A110 PolarHBondContact O-N 2.97Å; A110-K113 PolarHBondContact O-N 3.47Å; A110-L114 PolarHBondContact O-N 3.38Å |
| 111 | S | 77.4 | Confident | 75.4 | Confident | 68 Ų | 68 | 96.9 Ų | 96.9 | 48% | 0.476 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 177 | 73.2 | 0 | 0 | 0 | 0 | 112.7 | R107 L108 L114 G115 | R107-S111 PolarHBondContact O-N 3.06Å; L108-S111 PolarHBondContact O-N 3.4Å; L108-S111 PolarHBondContact O-OG 3.16Å; S111-L114 PolarHBondContact O-N 3.34Å; S111-G115 PolarHBondContact O-N 2.66Å |
| 112 | Q | 87.1 | Confident | 76.3 | Confident | 119 Ų | 119 | 102.9 Ų | 102.9 | 56% | 0.556 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.8 | -45.4 | 175.7 | -172.1 | 177.1 | 24.3 | 0 | 0 | 111.5 | L108 L109 L114 G115 E116 | L108-Q112 PolarHBondContact O-N 3.44Å; L109-Q112 PolarHBondContact O-N 3.16Å; Q112-L114 VanDerWaalsContact C-N 3.34Å; Q112-L114 PolarHBondContact O-N 2.9Å; Q112-G115 PolarHBondContact O-N 3.03Å; Q112-E116 PolarHBondContact O-N 3.41Å |
| 113 | K | 89.5 | Confident | 77.3 | Confident | 132 Ų | 132 | 106.4 Ų | 106.4 | 57% | 0.574 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.5 | -39.4 | 176.4 | -74.2 | -172.4 | 176.6 | -171.9 | 0 | 112.5 | L109 A110 E116 V117 | L109-K113 WeakPolarHBondContact O-CG 3.3Å; L109-K113 PolarHBondContact O-N 3.29Å; L109-K113 VanDerWaalsContact O-N 3.08Å; A110-K113 PolarHBondContact O-N 3.47Å; K113-E116 PolarHBondContact O-N 2.94Å; K113-V117 VanDerWaalsContact O-CG2 3.3Å; K113-V117 WeakPolarHBondContact O-CG2 3.49Å; K113-V117 PolarHBondContact O-N 2.81Å |
| 114 | L | 89.8 | Confident | 77.4 | Confident | 110 Ų | 110 | 109.4 Ų | 109.4 | 58% | 0.576 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63 | -43.5 | 174.2 | -173.8 | 73.1 | 0 | 0 | 0 | 111.1 | A110 S111 Q112 E116 V117 L118 | A110-L114 PolarHBondContact O-N 3.38Å; S111-L114 PolarHBondContact O-N 3.34Å; Q112-L114 VanDerWaalsContact C-N 3.34Å; Q112-L114 PolarHBondContact O-N 2.9Å; L114-E116 PolarHBondContact O-N 2.92Å; L114-V117 PolarHBondContact O-N 3.27Å; L114-L118 HydrophobicContact CG-CD1 4.21Å; L114-L118 VanDerWaalsContact O-CG 3.31Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 2.96Å |
| 115 | G | 88.3 | Confident | 77.4 | Confident | 37 Ų | 37 | 110 Ų | 110 | 38% | 0.381 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -57.6 | -46.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S111 Q112 V117 L118 E119 | S111-G115 PolarHBondContact O-N 2.66Å; Q112-G115 PolarHBondContact O-N 3.03Å; G115-V117 PolarHBondContact O-N 2.81Å; G115-L118 PolarHBondContact O-N 3.43Å; G115-E119 WeakPolarHBondContact O-CB 3.29Å; G115-E119 PolarHBondContact O-N 3.49Å |
| 116 | E | 89.1 | Confident | 76.7 | Confident | 79 Ų | 79 | 111.7 Ų | 111.7 | 37% | 0.369 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.8 | -36.3 | 177.5 | -69 | -173.8 | -169.7 | 0 | 0 | 113.4 | Q112 K113 L114 E119 R120 | Q112-E116 PolarHBondContact O-N 3.41Å; K113-E116 PolarHBondContact O-N 2.94Å; L114-E116 PolarHBondContact O-N 2.92Å; E116-E119 PolarHBondContact O-N 3.35Å; E116-R120 WeakPolarHBondContact O-CB 3.47Å; E116-R120 VanDerWaalsContact O-CG 3.3Å; E116-R120 WeakPolarHBondContact O-CG 3.3Å; E116-R120 PolarHBondContact O-N 3Å; E116-R120 IonicContact OE2-CZ 3.31Å; E116-R120 IonicContact OE2-NH1 3.16Å; E116-R120 PolarHBondContact OE2-NH1 3.36Å; E116-R120 IonicContact OE2-NH2 3.34Å; E116-R120 PolarHBondContact OE2-NH2 3.48Å |
| 117 | V | 88.6 | Confident | 75.4 | Confident | 90 Ų | 90 | 113 Ų | 113 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.5 | -42 | 176.6 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | K113 L114 G115 E119 R120 S121 | K113-V117 VanDerWaalsContact O-CG2 3.3Å; K113-V117 WeakPolarHBondContact O-CG2 3.49Å; K113-V117 PolarHBondContact O-N 2.81Å; L114-V117 PolarHBondContact O-N 3.27Å; G115-V117 PolarHBondContact O-N 2.81Å; V117-E119 VanDerWaalsContact C-N 3.33Å; V117-R120 PolarHBondContact O-N 3.47Å; V117-S121 PolarHBondContact O-N 3.42Å |
| 118 | L | 85.3 | Confident | 74.4 | Confident | 92 Ų | 92 | 109.4 Ų | 109.4 | 48% | 0.482 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.9 | -34.6 | 175.8 | -70.1 | 172.7 | 0 | 0 | 0 | 112.3 | L114 G115 S121 R122 | L114-L118 HydrophobicContact CG-CD1 4.21Å; L114-L118 VanDerWaalsContact O-CG 3.31Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 2.96Å; G115-L118 PolarHBondContact O-N 3.43Å; L118-S121 PolarHBondContact O-N 3.49Å; L118-S121 PolarHBondContact O-OG 3.35Å; L118-R122 WeakPolarHBondContact O-CG 3.31Å; L118-R122 PolarHBondContact O-N 2.99Å |
| 119 | E | 84.1 | Confident | 72.7 | Confident | 96 Ų | 96 | 109.3 Ų | 109.3 | 45% | 0.449 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.4 | -40.5 | 174.9 | -162.1 | -173.4 | 164.2 | 0 | 0 | 111.5 | G115 E116 V117 S121 R122 R123 | G115-E119 WeakPolarHBondContact O-CB 3.29Å; G115-E119 PolarHBondContact O-N 3.49Å; E116-E119 PolarHBondContact O-N 3.35Å; V117-E119 VanDerWaalsContact C-N 3.33Å; E119-S121 VanDerWaalsContact C-N 3.34Å; E119-S121 PolarHBondContact O-N 3.04Å; E119-R122 PolarHBondContact O-N 2.88Å; E119-R123 VanDerWaalsContact O-CG 3.31Å; E119-R123 WeakPolarHBondContact O-CG 3.41Å; E119-R123 PolarHBondContact O-N 3.29Å; E119-R123 IonicContact OE1-CZ 3.59Å; E119-R123 VanDerWaalsContact OE1-CZ 3.31Å; E119-R123 IonicContact OE1-NE 2.9Å; E119-R123 PolarHBondContact OE1-NE 2.98Å; E119-R123 VanDerWaalsContact OE1-NE 3.16Å; E119-R123 IonicContact OE1-NH2 2.66Å; E119-R123 PolarHBondContact OE1-NH2 3.18Å |
| 120 | R | 82.6 | Confident | 71.1 | Confident | 154 Ų | 154 | 109.9 Ų | 109.9 | 58% | 0.581 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.3 | -37.2 | 173.9 | -74.6 | 178.3 | -177.8 | 105.6 | 3.2 | 112.4 | E116 V117 R123 L124 | E116-R120 WeakPolarHBondContact O-CB 3.47Å; E116-R120 VanDerWaalsContact O-CG 3.3Å; E116-R120 WeakPolarHBondContact O-CG 3.3Å; E116-R120 PolarHBondContact O-N 3Å; E116-R120 IonicContact OE2-CZ 3.31Å; E116-R120 IonicContact OE2-NH1 3.16Å; E116-R120 PolarHBondContact OE2-NH1 3.36Å; E116-R120 IonicContact OE2-NH2 3.34Å; E116-R120 PolarHBondContact OE2-NH2 3.48Å; V117-R120 PolarHBondContact O-N 3.47Å; R120-R123 PolarHBondContact O-N 3.31Å; R120-L124 PolarHBondContact O-N 2.92Å |
| 121 | S | 77.4 | Confident | 69.7 | Low | 72 Ų | 72 | 114.8 Ų | 114.8 | 50% | 0.503 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.3 | -35.1 | 176.8 | 74.1 | 0 | 0 | 0 | 0 | 112.4 | V117 L118 E119 L124 | V117-S121 PolarHBondContact O-N 3.42Å; L118-S121 PolarHBondContact O-N 3.49Å; L118-S121 PolarHBondContact O-OG 3.35Å; E119-S121 VanDerWaalsContact C-N 3.34Å; E119-S121 PolarHBondContact O-N 3.04Å; S121-L124 WeakPolarHBondContact O-CB 3.35Å; S121-L124 PolarHBondContact O-N 3.29Å |
| 122 | R | 73.1 | Confident | 68.2 | Low | 216 Ų | 216 | 117.1 Ų | 117.1 | 82% | 0.815 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -72.1 | -26.9 | 174.4 | -71 | 177.2 | 178.7 | -158.7 | 0.2 | 113.7 | L118 E119 L124 | L118-R122 WeakPolarHBondContact O-CG 3.31Å; L118-R122 PolarHBondContact O-N 2.99Å; E119-R122 PolarHBondContact O-N 2.88Å; R122-L124 VanDerWaalsContact C-N 3.32Å |
| 123 | R | 75.3 | Confident | 66.2 | Low | 185 Ų | 185 | 114.7 Ų | 114.7 | 70% | 0.698 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -9.3 | 175.8 | -71.1 | 174.1 | -178.5 | -120.8 | 7.6 | 113.1 | E119 R120 P125 | E119-R123 VanDerWaalsContact O-CG 3.31Å; E119-R123 WeakPolarHBondContact O-CG 3.41Å; E119-R123 PolarHBondContact O-N 3.29Å; E119-R123 IonicContact OE1-CZ 3.59Å; E119-R123 VanDerWaalsContact OE1-CZ 3.31Å; E119-R123 IonicContact OE1-NE 2.9Å; E119-R123 PolarHBondContact OE1-NE 2.98Å; E119-R123 VanDerWaalsContact OE1-NE 3.16Å; E119-R123 IonicContact OE1-NH2 2.66Å; E119-R123 PolarHBondContact OE1-NH2 3.18Å; R120-R123 PolarHBondContact O-N 3.31Å; R123-P125 WeakPolarHBondContact O-CD 3.49Å |
| 124 | L | 58 | Low | 63.5 | Low | 127 Ų | 127 | 117.3 Ų | 117.3 | 67% | 0.665 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -72.8 | 121.3 | 170.8 | -147.2 | 77.2 | 0 | 0 | 0 | 108.3 | R120 S121 R122 T126 | R120-L124 PolarHBondContact O-N 2.92Å; S121-L124 WeakPolarHBondContact O-CB 3.35Å; S121-L124 PolarHBondContact O-N 3.29Å; R122-L124 VanDerWaalsContact C-N 3.32Å; L124-T126 PolarHBondContact O-N 3.37Å |
| 125 | P | 56.1 | Low | 61.3 | Low | 119 Ų | 119 | 121.8 Ų | 121.8 | 77% | 0.773 | 67% | 0.673 | S | S | * | * | | | trans | -61.9 | 109.2 | -178.6 | -20.7 | 31.8 | 0 | 0 | 0 | 110.3 | R123 A127 | R123-P125 WeakPolarHBondContact O-CD 3.49Å; P125-A127 VanDerWaalsContact C-N 3.3Å; P125-A127 PolarHBondContact O-N 2.92Å |
| 126 | T | 50.8 | Low | 58.6 | Low | 138 Ų | 138 | 129.8 Ų | 129.8 | 85% | 0.847 | 69% | 0.691 | S | S | * | * | | | trans | -72.4 | 93.4 | 159.4 | -52.6 | 0 | 0 | 0 | 0 | 105.7 | L124 | L124-T126 PolarHBondContact O-N 3.37Š|
| 127 | A | 39.3 | Very low | 56.2 | Low | 74 Ų | 74 | 131.4 Ų | 131.4 | 61% | 0.612 | 71% | 0.711 | S | S | * | * | | | trans | -58.8 | 134 | 170 | 0 | 0 | 0 | 0 | 0 | 108.8 | P125 T129 | P125-A127 VanDerWaalsContact C-N 3.3Å; P125-A127 PolarHBondContact O-N 2.92Å; A127-T129 PolarHBondContact O-N 2.88Å |
| 128 | P | 48.6 | Very low | 53.8 | Low | 119 Ų | 119 | 134.4 Ų | 134.4 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | | | trans | -83.3 | 104.7 | 177.4 | 32.5 | -28 | 0 | 0 | 0 | 108.3 | | |
| 129 | T | 38.2 | Very low | 51.3 | Low | 117 Ų | 117 | 141.6 Ų | 141.6 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | | | trans | -99.1 | 72 | 159.8 | -46.5 | 0 | 0 | 0 | 0 | 108.1 | A127 L131 | A127-T129 PolarHBondContact O-N 2.88Å; T129-L131 HydrophobicContact CG2-CD1 4.17Å; T129-L131 HydrophobicContact CG2-CG 4.06Å; T129-L131 PolarHBondContact O-N 2.95Å; T129-L131 VanDerWaalsContact O-N 3.12Å |
| 130 | S | 43 | Very low | 49 | Very low | 103 Ų | 103 | 145.1 Ų | 145.1 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | | | trans | -69.3 | 92.9 | 161.7 | 53.2 | 0 | 0 | 0 | 0 | 108.7 | S132 | S130-S132 PolarHBondContact O-N 3.27Š|
| 131 | L | 41.6 | Very low | 46.6 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | | | trans | -95.5 | 76.2 | 160.7 | -75.4 | 171.5 | 0 | 0 | 0 | 108.4 | T129 | T129-L131 HydrophobicContact CG2-CD1 4.17Å; T129-L131 HydrophobicContact CG2-CG 4.06Å; T129-L131 PolarHBondContact O-N 2.95Å; T129-L131 VanDerWaalsContact O-N 3.12Å |
| 132 | S | 46 | Very low | 44.5 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -88.7 | 123.7 | 162.3 | 170.7 | 0 | 0 | 0 | 0 | 108 | S130 | S130-S132 PolarHBondContact O-N 3.27Š|
| 133 | G | 45 | Very low | 43 | Very low | 68 Ų | 68 | 142.2 Ų | 142.2 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | trans | 91.2 | 82.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 134 | Q | 34 | Very low | 41.1 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | trans | -153 | 67.6 | 147.1 | -138.6 | 162.7 | -1.5 | 0 | 0 | 113 | R136 | Q134-R136 PolarHBondContact O-N 2.87Š|
| 135 | H | 42.6 | Very low | 39.9 | Very low | 203 Ų | 203 | 141.4 Ų | 141.4 | 94% | 0.94 | 80% | 0.795 | S | S | * | * | | | trans | -72 | 95.8 | 150.6 | -74.8 | -82.1 | 0 | 0 | 0 | 108.2 | | |
| 136 | R | 32.7 | Very low | 38.7 | Very low | 206 Ų | 206 | 146.5 Ų | 146.5 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | | | trans | -143.9 | 98.1 | 158 | -159.6 | 174 | -172.3 | 169.2 | 1.9 | 110.1 | Q134 L138 | Q134-R136 PolarHBondContact O-N 2.87Å; R136-L138 PolarHBondContact O-N 3.35Å |
| 137 | S | 39.2 | Very low | 38 | Very low | 113 Ų | 113 | 148 Ų | 148 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | trans | -59.1 | 119.7 | 163.9 | 32.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 138 | L | 38.2 | Very low | 37.8 | Very low | 153 Ų | 153 | 151.4 Ų | 151.4 | 80% | 0.801 | 81% | 0.809 | S | S | * | * | | | trans | -138.5 | 101.6 | 153.4 | -74.9 | 176.7 | 0 | 0 | 0 | 108.2 | R136 L140 | R136-L138 PolarHBondContact O-N 3.35Å; L138-L140 PolarHBondContact O-N 2.85Å |
| 139 | R | 30.8 | Very low | 37.6 | Very low | 243 Ų | 243 | 151.2 Ų | 151.2 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | | | trans | -57.9 | 124.9 | 156.3 | -86.7 | -177.6 | 162.8 | 172.6 | -3.9 | 108.5 | | |
| 140 | L | 36.1 | Very low | 37.6 | Very low | 170 Ų | 170 | 154.3 Ų | 154.3 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | | | | 174.8 | 157.7 | 123.4 | -126.9 | 73.8 | 0 | 0 | 0 | 111.7 | L138 | L138-L140 PolarHBondContact O-N 2.85Š|
| 141 | A | 32.4 | Very low | 37.2 | Very low | 86 Ų | 86 | 153.2 Ų | 153.2 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | | | trans | 85.8 | 87.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 142 | S | 34.2 | Very low | 36.9 | Very low | 105 Ų | 105 | 150.9 Ų | 150.9 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | | | | 98.7 | 116.6 | 76.5 | 62.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 143 | K | 40.2 | Very low | 36.3 | Very low | 190 Ų | 190 | 148.9 Ų | 148.9 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | | | trans | -50.7 | 147.9 | 164.5 | -73.2 | 176 | 170.6 | -177 | 0 | 110.3 | | |
| 144 | P | 35.2 | Very low | 35.7 | Very low | 124 Ų | 124 | 154.9 Ų | 154.9 | 81% | 0.805 | 84% | 0.836 | S | S | * | * | | | trans | -120.3 | 109.6 | 139.1 | 29.2 | -16 | 0 | 0 | 0 | 109.6 | | |
| 145 | E | 34.4 | Very low | 35.7 | Very low | 171 Ų | 171 | 155.2 Ų | 155.2 | 80% | 0.799 | 84% | 0.837 | S | S | * | * | | | trans | -64.7 | 153.2 | 147.6 | -92 | 170.6 | 139.1 | 0 | 0 | 109.1 | | |
| 146 | R | 30.4 | Very low | 35.3 | Very low | 225 Ų | 225 | 153.8 Ų | 153.8 | 85% | 0.849 | 83% | 0.831 | S | S | * | * | | | trans | 107.3 | 91.6 | 152 | -139.4 | 171.5 | -166.1 | 176.2 | 3 | 117.7 | | |
| 147 | E | 35.2 | Very low | 35.5 | Very low | 169 Ų | 169 | 149.7 Ų | 149.7 | 79% | 0.79 | 83% | 0.834 | S | S | * | * | | | | 31.3 | 133.2 | 121 | -63.7 | 175 | 154.6 | 0 | 0 | 120.4 | | |
| 148 | V | 36.7 | Very low | 35.3 | Very low | 147 Ų | 147 | 152.6 Ų | 152.6 | 89% | 0.891 | 84% | 0.837 | S | S | * | * | | | trans | -150.4 | 148.6 | 134.4 | 162.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 149 | P | 44.3 | Very low | 35.3 | Very low | 114 Ų | 114 | 154.5 Ų | 154.5 | 74% | 0.74 | 84% | 0.842 | S | S | * | * | | | trans | -105.6 | 165.2 | -149.5 | 38 | -27.4 | 0 | 0 | 0 | 114.1 | | |
| 150 | L | 38.2 | Very low | 35.8 | Very low | 182 Ų | 182 | 147.7 Ų | 147.7 | 95% | 0.953 | 84% | 0.837 | S | S | * | * | | | trans | -120.1 | 123.9 | 169.6 | -123 | 79.5 | 0 | 0 | 0 | 110.9 | | |
| 151 | G | 34.2 | Very low | 35.8 | Very low | 80 Ų | 80 | 146.7 Ų | 146.7 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | | | trans | 94.5 | 100 | 144.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 152 | A | 35.9 | Very low | 36.4 | Very low | 115 Ų | 115 | 149 Ų | 149 | 95% | 0.95 | 84% | 0.838 | S | S | * | * | | | trans | -63.3 | 142.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 153 | G | 33 | Very low | 36.7 | Very low | 76 Ų | 76 | 150.8 Ų | 150.8 | 78% | 0.784 | 84% | 0.84 | S | S | * | * | | | trans | 173.5 | 84.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 154 | Q | 32.1 | Very low | 36.9 | Very low | 194 Ų | 194 | 149.7 Ų | 149.7 | 91% | 0.907 | 84% | 0.842 | S | S | * | * | | | trans | -53.9 | 129 | 166.5 | -91.2 | 165.7 | -9.8 | 0 | 0 | 111.1 | | |
| 155 | Q | 34.1 | Very low | 37.2 | Very low | 193 Ų | 193 | 151.4 Ų | 151.4 | 90% | 0.902 | 84% | 0.839 | S | S | * | * | | | | -161.3 | 140.6 | 126.7 | -143.5 | 149.9 | 11.9 | 0 | 0 | 112.7 | | |
| 156 | E | 34.5 | Very low | 37.6 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 81% | 0.813 | 84% | 0.838 | S | S | * | * | | | trans | -86.1 | 178.6 | -168.3 | -57.8 | 159.4 | 139.4 | 0 | 0 | 113 | | |
| 157 | S | 35.9 | Very low | 37.7 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | | | trans | 90.3 | 135.6 | 164.5 | 79.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 158 | M | 34.4 | Very low | 38.2 | Very low | 175 Ų | 175 | 140 Ų | 140 | 86% | 0.862 | 83% | 0.834 | S | S | * | * | | | cis | -169.8 | 143.3 | 6.3 | 167.1 | 162 | 73.4 | 0 | 0 | 107.5 | | |
| 159 | E | 39.1 | Very low | 38.5 | Very low | 193 Ų | 193 | 141.6 Ų | 141.6 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | | | trans | -62 | 135.4 | 169.9 | -66.5 | 171.5 | 152.7 | 0 | 0 | 110.5 | | |
| 160 | A | 40.5 | Very low | 38.7 | Very low | 99 Ų | 99 | 144.4 Ų | 144.4 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | | | trans | -137.4 | 96.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 161 | D | 37.6 | Very low | 39.1 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | | | trans | -66.9 | 125.9 | 164.8 | -156.2 | 1.9 | 0 | 0 | 0 | 108.7 | | |
| 162 | T | 44.9 | Very low | 39.7 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 82% | 0.822 | 83% | 0.827 | S | S | * | * | | | trans | -145.7 | 93.8 | 155.9 | 56.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 163 | D | 39.8 | Very low | 40.7 | Very low | 143 Ų | 143 | 145 Ų | 145 | 77% | 0.765 | 82% | 0.818 | S | S | * | * | | | trans | -59.6 | 133.4 | 153.9 | -149.2 | 5.4 | 0 | 0 | 0 | 110.1 | | |
| 164 | L | 45.2 | Very low | 41.3 | Very low | 166 Ų | 166 | 144 Ų | 144 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | | | trans | -149.7 | 90.3 | 165.4 | -118.2 | 162.7 | 0 | 0 | 0 | 109.5 | | |
| 165 | E | 40.6 | Very low | 41.9 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | | | trans | -67.6 | 169.6 | 165.2 | -117.5 | -83.4 | 169.7 | 0 | 0 | 111.9 | | |
| 166 | A | 43.9 | Very low | 42.6 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | trans | 81.8 | 107.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 167 | G | 31.7 | Very low | 43.4 | Very low | 68 Ų | 68 | 130.5 Ų | 130.5 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | trans | 170 | 48.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115 | E169 | G167-E169 PolarHBondContact O-N 3.25Š|
| 168 | L | 46.4 | Very low | 44.2 | Very low | 166 Ų | 166 | 131.5 Ų | 131.5 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | | | trans | -79.7 | 91.5 | 171.6 | -145.6 | 175.3 | 0 | 0 | 0 | 108.1 | | |
| 169 | E | 42 | Very low | 45.2 | Very low | 180 Ų | 180 | 126.4 Ų | 126.4 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | | | trans | -127.3 | 91.1 | 173.4 | -57.1 | -166.4 | -136.4 | 0 | 0 | 109.1 | G167 | G167-E169 PolarHBondContact O-N 3.25Š|
| 170 | E | 48.4 | Very low | 46 | Very low | 172 Ų | 172 | 120.4 Ų | 120.4 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -50.5 | 127.4 | 152.5 | -77.5 | -91.5 | 151.5 | 0 | 0 | 108.9 | | |
| 171 | E | 46.9 | Very low | 46.5 | Very low | 160 Ų | 160 | 125.9 Ų | 125.9 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | | 165.6 | 73.8 | 122.3 | -161.9 | 147.7 | 150.8 | 0 | 0 | 110.6 | V173 | E171-V173 VanDerWaalsContact C-N 3.29Å; E171-V173 HydrophobicContact CG-CB 4.5Å; E171-V173 HydrophobicContact CG-CG2 3.68Å; E171-V173 PolarHBondContact O-N 2.92Å |
| 172 | A | 47.3 | Very low | 47.4 | Very low | 104 Ų | 104 | 122.8 Ų | 122.8 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | | | trans | -87.1 | 74.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109 | G174 | A172-G174 PolarHBondContact O-N 3.42Š|
| 173 | V | 56.2 | Low | 48.1 | Very low | 127 Ų | 127 | 120.9 Ų | 120.9 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | | | trans | -68.1 | 86 | 158.2 | 173.2 | 0 | 0 | 0 | 0 | 107.1 | E171 | E171-V173 VanDerWaalsContact C-N 3.29Å; E171-V173 HydrophobicContact CG-CB 4.5Å; E171-V173 HydrophobicContact CG-CG2 3.68Å; E171-V173 PolarHBondContact O-N 2.92Å |
| 174 | G | 45.1 | Very low | 49.1 | Very low | 54 Ų | 54 | 119.3 Ų | 119.3 | 56% | 0.557 | 74% | 0.739 | S | S | * | * | | | trans | -142.7 | 84.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | A172 L176 | A172-G174 PolarHBondContact O-N 3.42Å; G174-L176 PolarHBondContact O-N 2.91Å |
| 175 | G | 44.4 | Very low | 50 | Low | 80 Ų | 80 | 118.1 Ų | 118.1 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | | | trans | -24.5 | 108.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116 | G177 | G175-G177 PolarHBondContact O-N 3.31Š|
| 176 | L | 50.5 | Low | 51.6 | Low | 152 Ų | 152 | 111.9 Ų | 111.9 | 80% | 0.796 | 72% | 0.72 | S | S | * | * | | | trans | -66.5 | 101.8 | 160.9 | -81.5 | 89.3 | 0 | 0 | 0 | 107.7 | G174 A180 | G174-L176 PolarHBondContact O-N 2.91Å; L176-A180 HydrophobicContact CD2-CB 4.02Å |
| 177 | G | 49.7 | Very low | 53.2 | Low | 46 Ų | 46 | 111.8 Ų | 111.8 | 47% | 0.474 | 70% | 0.704 | S | S | . | * | | | trans | -58.6 | 165.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | G175 G179 | G175-G177 PolarHBondContact O-N 3.31Å; G177-G179 PolarHBondContact O-N 3.39Å |
| 178 | P | 53.3 | Low | 55.8 | Low | 139 Ų | 139 | 110.6 Ų | 110.6 | 90% | 0.903 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 20.1 | 178 | -22.3 | 33.2 | 0 | 0 | 0 | 116.4 | | |
| 179 | G | 56.6 | Low | 57.8 | Low | 69 Ų | 69 | 108.7 Ų | 108.7 | 71% | 0.711 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 10.5 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | G177 W181 | G177-G179 PolarHBondContact O-N 3.39Å; G179-W181 PolarHBondContact O-N 3.45Å |
| 180 | A | 54.6 | Low | 60.1 | Low | 67 Ų | 67 | 109.1 Ų | 109.1 | 55% | 0.554 | 68% | 0.675 | S | S | * | * | | | trans | -90.2 | 51.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L176 A182 | L176-A180 HydrophobicContact CD2-CB 4.02Å; A180-A182 PolarHBondContact O-N 3.39Å |
| 181 | W | 50.9 | Low | 62.2 | Low | 214 Ų | 214 | 108 Ų | 108 | 81% | 0.811 | 67% | 0.665 | S | S | * | * | | | trans | -77.6 | 64.8 | 156.3 | -56.5 | 97.9 | 0 | 0 | 0 | 107.4 | G179 C183 | G179-W181 PolarHBondContact O-N 3.45Å; W181-C183 PolarHBondContact O-N 3.22Å |
| 182 | A | 56.8 | Low | 64.5 | Low | 84 Ų | 84 | 104.8 Ų | 104.8 | 69% | 0.694 | 65% | 0.652 | S | S | * | * | | | trans | -62.5 | 93.6 | 154.4 | 0 | 0 | 0 | 0 | 0 | 104.2 | A180 L184 | A180-A182 PolarHBondContact O-N 3.39Å; A182-L184 PolarHBondContact O-N 3.4Å |
| 183 | C | 60.1 | Low | 66.7 | Low | 94 Ų | 94 | 106 Ų | 106 | 64% | 0.635 | 64% | 0.64 | S | S | * | * | | | trans | -48.3 | 114.8 | 176.3 | -60.6 | 0 | 0 | 0 | 0 | 106.3 | W181 | W181-C183 PolarHBondContact O-N 3.22Š|
| 184 | L | 60.7 | Low | 68.7 | Low | 111 Ų | 111 | 105.4 Ų | 105.4 | 58% | 0.581 | 63% | 0.629 | S | S | * | * | | | trans | -53.6 | 134.4 | 173.1 | -65 | 174.4 | 0 | 0 | 0 | 106.3 | A182 G186 Q187 | A182-L184 PolarHBondContact O-N 3.4Å; L184-G186 PolarHBondContact O-N 3.29Å; L184-Q187 HydrophobicContact CB-CG 3.99Å; L184-Q187 VanDerWaalsContact N-OE1 3.15Å; L184-Q187 PolarHBondContact O-N 3.42Å |
| 185 | P | 63.8 | Low | 71.2 | Confident | 140 Ų | 140 | 106 Ų | 106 | 91% | 0.909 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | 113.9 | 178.6 | 18.3 | -28.9 | 0 | 0 | 0 | 108.4 | | |
| 186 | G | 73.4 | Confident | 73.7 | Confident | 30 Ų | 30 | 106 Ų | 106 | 31% | 0.309 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 108.2 | -11.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | L184 G188 L189 R190 | L184-G186 PolarHBondContact O-N 3.29Å; G186-G188 PolarHBondContact O-N 3.34Å; G186-L189 PolarHBondContact O-N 2.82Å; G186-R190 WeakPolarHBondContact O-CG 3.43Å; G186-R190 PolarHBondContact O-N 2.98Å; G186-R190 VanDerWaalsContact O-N 3.12Å |
| 187 | Q | 79.5 | Confident | 75.9 | Confident | 91 Ų | 91 | 103 Ų | 103 | 43% | 0.425 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.1 | -40.6 | 174.8 | -84.2 | 175.7 | -15.9 | 0 | 0 | 112.6 | L184 L189 R190 Y191 | L184-Q187 HydrophobicContact CB-CG 3.99Å; L184-Q187 VanDerWaalsContact N-OE1 3.15Å; L184-Q187 PolarHBondContact O-N 3.42Å; Q187-L189 VanDerWaalsContact C-N 3.27Å; Q187-L189 PolarHBondContact O-N 3.36Å; Q187-R190 PolarHBondContact O-N 3.26Å; Q187-Y191 PolarHBondContact O-N 2.93Å; Q187-Y191 VanDerWaalsContact O-N 3.12Å |
| 188 | G | 86.3 | Confident | 78.2 | Confident | 43 Ų | 43 | 103.9 Ų | 103.9 | 44% | 0.443 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.1 | -33.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | G186 Y191 L192 | G186-G188 PolarHBondContact O-N 3.34Å; G188-Y191 PolarHBondContact O-N 3.2Å; G188-L192 WeakPolarHBondContact O-CG 3.31Å; G188-L192 PolarHBondContact O-N 3.3Å; G188-L192 VanDerWaalsContact O-N 3.12Å |
| 189 | L | 88.3 | Confident | 80.4 | Confident | 125 Ų | 125 | 102.2 Ų | 102.2 | 65% | 0.654 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -72.7 | -39.1 | 178 | -63 | 179.8 | 0 | 0 | 0 | 111.9 | G186 Q187 Y191 L192 E193 | G186-L189 PolarHBondContact O-N 2.82Å; Q187-L189 VanDerWaalsContact C-N 3.27Å; Q187-L189 PolarHBondContact O-N 3.36Å; L189-Y191 VanDerWaalsContact C-N 3.31Å; L189-Y191 PolarHBondContact O-N 3.4Å; L189-L192 HydrophobicContact CD2-CD1 4.44Å; L189-L192 PolarHBondContact O-N 2.94Å; L189-E193 PolarHBondContact O-N 3.33Å |
| 190 | R | 89.1 | Confident | 82.4 | Confident | 189 Ų | 189 | 103 Ų | 103 | 71% | 0.713 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.3 | -36.2 | 174.3 | -65.9 | -174.5 | -169.6 | -150 | 3.8 | 112.3 | G186 Q187 E193 H194 | G186-R190 WeakPolarHBondContact O-CG 3.43Å; G186-R190 PolarHBondContact O-N 2.98Å; G186-R190 VanDerWaalsContact O-N 3.12Å; Q187-R190 PolarHBondContact O-N 3.26Å; R190-E193 PolarHBondContact O-N 2.91Å; R190-H194 WeakPolarHBondContact O-CB 3.27Å; R190-H194 PolarHBondContact O-N 3.46Å |
| 191 | Y | 92.7 | Very high | 84.5 | Confident | 150 Ų | 150 | 105.3 Ų | 105.3 | 59% | 0.588 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.9 | -44.4 | 172.2 | 171.1 | -98.5 | 0 | 0 | 0 | 111.6 | Q187 G188 L189 H194 L195 | Q187-Y191 PolarHBondContact O-N 2.93Å; Q187-Y191 VanDerWaalsContact O-N 3.12Å; G188-Y191 PolarHBondContact O-N 3.2Å; L189-Y191 VanDerWaalsContact C-N 3.31Å; L189-Y191 PolarHBondContact O-N 3.4Å; Y191-H194 PolarHBondContact O-N 2.89Å; Y191-L195 HydrophobicContact CE1-CD2 4.34Å; Y191-L195 WeakPolarHBondContact O-CB 3.42Å; Y191-L195 PolarHBondContact O-N 3.34Å |
| 192 | L | 95.1 | Very high | 86.7 | Confident | 91 Ų | 91 | 99.3 Ų | 99.3 | 48% | 0.476 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 176.5 | -70.6 | 173.2 | 0 | 0 | 0 | 112.2 | G188 L189 L195 C196 | G188-L192 WeakPolarHBondContact O-CG 3.31Å; G188-L192 PolarHBondContact O-N 3.3Å; G188-L192 VanDerWaalsContact O-N 3.12Å; L189-L192 HydrophobicContact CD2-CD1 4.44Å; L189-L192 PolarHBondContact O-N 2.94Å; L192-L195 PolarHBondContact O-N 3.43Å; L192-C196 WeakPolarHBondContact O-CB 3.44Å; L192-C196 PolarHBondContact O-N 3.28Å; L192-C196 PolarHBondContact O-SG 3.31Å |
| 193 | E | 94.8 | Very high | 88.7 | Confident | 129 Ų | 129 | 97.6 Ų | 97.6 | 60% | 0.603 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.4 | -47.7 | 173.9 | -177.9 | 178.3 | -170 | 0 | 0 | 111.3 | L189 R190 L195 C196 L197 | L189-E193 PolarHBondContact O-N 3.33Å; R190-E193 PolarHBondContact O-N 2.91Å; E193-L195 VanDerWaalsContact C-N 3.34Å; E193-L195 PolarHBondContact O-N 3.07Å; E193-C196 WeakPolarHBondContact O-CB 3.47Å; E193-C196 PolarHBondContact O-N 3.33Å; E193-L197 WeakPolarHBondContact O-CG 3.33Å; E193-L197 PolarHBondContact O-N 3.33Å |
| 194 | H | 96.4 | Very high | 90.5 | Very high | 116 Ų | 116 | 100 Ų | 100 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 175.2 | -178.1 | 65.5 | 0 | 0 | 0 | 112 | R190 Y191 C196 L197 V198 | R190-H194 WeakPolarHBondContact O-CB 3.27Å; R190-H194 PolarHBondContact O-N 3.46Å; Y191-H194 PolarHBondContact O-N 2.89Å; H194-C196 VanDerWaalsContact C-N 3.34Å; H194-C196 PolarHBondContact O-N 3.49Å; H194-L197 PolarHBondContact O-N 2.93Å; H194-V198 WeakPolarHBondContact O-CG2 3.44Å; H194-V198 PolarHBondContact O-N 3.49Å |
| 195 | L | 97.4 | Very high | 92.3 | Very high | 65 Ų | 65 | 99.8 Ų | 99.8 | 34% | 0.34 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 177.3 | -177.5 | 62.3 | 0 | 0 | 0 | 111.5 | Y191 L192 E193 L197 V198 L199 | Y191-L195 HydrophobicContact CE1-CD2 4.34Å; Y191-L195 WeakPolarHBondContact O-CB 3.42Å; Y191-L195 PolarHBondContact O-N 3.34Å; L192-L195 PolarHBondContact O-N 3.43Å; E193-L195 VanDerWaalsContact C-N 3.34Å; E193-L195 PolarHBondContact O-N 3.07Å; L195-L197 PolarHBondContact O-N 2.94Å; L195-V198 PolarHBondContact O-N 2.93Å; L195-L199 HydrophobicContact CD1-CD1 4.4Å; L195-L199 HydrophobicContact CD1-CG 4.38Å; L195-L199 HydrophobicContact CG-CD1 4.09Å; L195-L199 HydrophobicContact CG-CG 4.49Å; L195-L199 WeakPolarHBondContact O-CB 3.29Å; L195-L199 VanDerWaalsContact O-CG 3.26Å; L195-L199 WeakPolarHBondContact O-CG 3.35Å; L195-L199 PolarHBondContact O-N 3.43Å |
| 196 | C | 97 | Very high | 93.9 | Very high | 80 Ų | 80 | 98.9 Ų | 98.9 | 54% | 0.541 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 175.2 | -71.6 | 0 | 0 | 0 | 0 | 111.6 | L192 E193 H194 V198 L199 E200 | L192-C196 WeakPolarHBondContact O-CB 3.44Å; L192-C196 PolarHBondContact O-N 3.28Å; L192-C196 PolarHBondContact O-SG 3.31Å; E193-C196 WeakPolarHBondContact O-CB 3.47Å; E193-C196 PolarHBondContact O-N 3.33Å; H194-C196 VanDerWaalsContact C-N 3.34Å; H194-C196 PolarHBondContact O-N 3.49Å; C196-V198 PolarHBondContact O-N 3.49Å; C196-L199 PolarHBondContact O-N 2.92Å; C196-E200 WeakPolarHBondContact O-CB 3.38Å; C196-E200 PolarHBondContact O-N 3.46Å |
| 197 | L | 98 | Very high | 95 | Very high | 90 Ų | 90 | 104.2 Ų | 104.2 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 176.6 | -69.7 | 171.9 | 0 | 0 | 0 | 111.7 | E193 H194 L195 L199 E200 Q201 | E193-L197 WeakPolarHBondContact O-CG 3.33Å; E193-L197 PolarHBondContact O-N 3.33Å; H194-L197 PolarHBondContact O-N 2.93Å; L195-L197 PolarHBondContact O-N 2.94Å; L197-L199 PolarHBondContact O-N 2.95Å; L197-E200 PolarHBondContact O-N 2.88Å; L197-Q201 WeakPolarHBondContact O-CG 3.48Å; L197-Q201 PolarHBondContact O-N 3.39Å |
| 198 | V | 98.4 | Very high | 95.8 | Very high | 64 Ų | 64 | 104 Ų | 104 | 39% | 0.388 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 177.8 | 172.4 | 0 | 0 | 0 | 0 | 111 | H194 L195 C196 E200 Q201 M202 | H194-V198 WeakPolarHBondContact O-CG2 3.44Å; H194-V198 PolarHBondContact O-N 3.49Å; L195-V198 PolarHBondContact O-N 2.93Å; C196-V198 PolarHBondContact O-N 3.49Å; V198-E200 VanDerWaalsContact C-N 3.31Å; V198-E200 PolarHBondContact O-N 3.28Å; V198-Q201 PolarHBondContact O-N 2.94Å; V198-M202 HydrophobicContact CG1-CG 4.48Å; V198-M202 WeakPolarHBondContact O-CG 3.48Å; V198-M202 PolarHBondContact O-N 3.28Å |
| 199 | L | 98.5 | Very high | 96.2 | Very high | 104 Ų | 104 | 109.8 Ų | 109.8 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 177.7 | -70.8 | 172.7 | 0 | 0 | 0 | 112 | L195 C196 L197 M202 A203 | L195-L199 HydrophobicContact CD1-CD1 4.4Å; L195-L199 HydrophobicContact CD1-CG 4.38Å; L195-L199 HydrophobicContact CG-CD1 4.09Å; L195-L199 HydrophobicContact CG-CG 4.49Å; L195-L199 WeakPolarHBondContact O-CB 3.29Å; L195-L199 VanDerWaalsContact O-CG 3.26Å; L195-L199 WeakPolarHBondContact O-CG 3.35Å; L195-L199 PolarHBondContact O-N 3.43Å; C196-L199 PolarHBondContact O-N 2.92Å; L197-L199 PolarHBondContact O-N 2.95Å; L199-M202 PolarHBondContact O-N 3.01Å; L199-A203 WeakPolarHBondContact O-CB 3.41Å; L199-A203 PolarHBondContact O-N 3.45Å |
| 200 | E | 98.3 | Very high | 96.6 | Very high | 87 Ų | 87 | 108.6 Ų | 108.6 | 41% | 0.407 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 174.9 | -169.2 | -174.6 | 160.6 | 0 | 0 | 111.9 | C196 L197 V198 M202 A203 R204 | C196-E200 WeakPolarHBondContact O-CB 3.38Å; C196-E200 PolarHBondContact O-N 3.46Å; L197-E200 PolarHBondContact O-N 2.88Å; V198-E200 VanDerWaalsContact C-N 3.31Å; V198-E200 PolarHBondContact O-N 3.28Å; E200-M202 VanDerWaalsContact C-N 3.31Å; E200-M202 PolarHBondContact O-N 3.5Å; E200-A203 PolarHBondContact O-N 3.28Å; E200-R204 WeakPolarHBondContact O-CG 3.42Å; E200-R204 PolarHBondContact O-N 3.46Å; E200-R204 IonicContact OE1-CZ 3.32Å; E200-R204 IonicContact OE1-NE 3.15Å; E200-R204 PolarHBondContact OE1-NE 3.12Å; E200-R204 VanDerWaalsContact OE1-NE 3.15Å; E200-R204 IonicContact OE1-NH2 2.68Å; E200-R204 PolarHBondContact OE1-NH2 3.2Å |
| 201 | Q | 98.3 | Very high | 96.8 | Very high | 114 Ų | 114 | 104.4 Ų | 104.4 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 176 | -64.5 | -54.6 | -28.2 | 0 | 0 | 111.8 | L197 V198 R204 L205 | L197-Q201 WeakPolarHBondContact O-CG 3.48Å; L197-Q201 PolarHBondContact O-N 3.39Å; V198-Q201 PolarHBondContact O-N 2.94Å; Q201-R204 PolarHBondContact O-N 2.86Å; Q201-L205 WeakPolarHBondContact O-CB 3.47Å; Q201-L205 PolarHBondContact O-N 3.26Å |
| 202 | M | 98.3 | Very high | 96.8 | Very high | 89 Ų | 89 | 102 Ų | 102 | 44% | 0.438 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 174.6 | -74.2 | -62.7 | -59.9 | 0 | 0 | 112 | V198 L199 E200 L205 Q206 | V198-M202 HydrophobicContact CG1-CG 4.48Å; V198-M202 WeakPolarHBondContact O-CG 3.48Å; V198-M202 PolarHBondContact O-N 3.28Å; L199-M202 PolarHBondContact O-N 3.01Å; E200-M202 VanDerWaalsContact C-N 3.31Å; E200-M202 PolarHBondContact O-N 3.5Å; M202-L205 PolarHBondContact O-N 3.22Å; M202-Q206 WeakPolarHBondContact O-CB 3.32Å; M202-Q206 VanDerWaalsContact O-CG 3.27Å; M202-Q206 WeakPolarHBondContact O-CG 3.26Å; M202-Q206 PolarHBondContact O-N 2.86Å |
| 203 | A | 98.1 | Very high | 96.6 | Very high | 47 Ų | 47 | 106.4 Ų | 106.4 | 39% | 0.388 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L199 E200 L205 Q206 Q207 | L199-A203 WeakPolarHBondContact O-CB 3.41Å; L199-A203 PolarHBondContact O-N 3.45Å; E200-A203 PolarHBondContact O-N 3.28Å; A203-L205 VanDerWaalsContact C-N 3.33Å; A203-L205 PolarHBondContact O-N 2.68Å; A203-Q206 PolarHBondContact O-N 3.15Å; A203-Q207 WeakPolarHBondContact O-CB 3.45Å; A203-Q207 PolarHBondContact O-N 3.36Å |
| 204 | R | 98 | Very high | 96.1 | Very high | 145 Ų | 145 | 106.5 Ų | 106.5 | 55% | 0.547 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 174.9 | -70.7 | 171.1 | -179.6 | -122.9 | 4.8 | 111.6 | E200 Q201 Q207 L208 | E200-R204 WeakPolarHBondContact O-CG 3.42Å; E200-R204 PolarHBondContact O-N 3.46Å; E200-R204 IonicContact OE1-CZ 3.32Å; E200-R204 IonicContact OE1-NE 3.15Å; E200-R204 PolarHBondContact OE1-NE 3.12Å; E200-R204 VanDerWaalsContact OE1-NE 3.15Å; E200-R204 IonicContact OE1-NH2 2.68Å; E200-R204 PolarHBondContact OE1-NH2 3.2Å; Q201-R204 PolarHBondContact O-N 2.86Å; R204-Q207 PolarHBondContact O-N 3.12Å; R204-L208 PolarHBondContact O-N 3.24Å |
| 205 | L | 98.2 | Very high | 95.3 | Very high | 106 Ų | 106 | 107 Ų | 107 | 56% | 0.555 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.2 | -44.8 | 177.2 | -176.7 | 65.2 | 0 | 0 | 0 | 111.7 | Q201 M202 A203 Q207 L208 Y209 | Q201-L205 WeakPolarHBondContact O-CB 3.47Å; Q201-L205 PolarHBondContact O-N 3.26Å; M202-L205 PolarHBondContact O-N 3.22Å; A203-L205 VanDerWaalsContact C-N 3.33Å; A203-L205 PolarHBondContact O-N 2.68Å; L205-Q207 VanDerWaalsContact C-N 3.3Å; L205-Q207 PolarHBondContact O-N 3.45Å; L205-L208 PolarHBondContact O-N 2.98Å; L205-Y209 WeakPolarHBondContact O-CB 3.38Å; L205-Y209 PolarHBondContact O-N 3.01Å |
| 206 | Q | 97.4 | Very high | 94.5 | Very high | 122 Ų | 122 | 113.2 Ų | 113.2 | 57% | 0.57 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.9 | -41.5 | 175.4 | -75.4 | 172.9 | -14.3 | 0 | 0 | 111.4 | M202 A203 Y209 L210 | M202-Q206 WeakPolarHBondContact O-CB 3.32Å; M202-Q206 VanDerWaalsContact O-CG 3.27Å; M202-Q206 WeakPolarHBondContact O-CG 3.26Å; M202-Q206 PolarHBondContact O-N 2.86Å; A203-Q206 PolarHBondContact O-N 3.15Å; Q206-Y209 PolarHBondContact O-N 3.25Å; Q206-L210 WeakPolarHBondContact O-CB 3.38Å; Q206-L210 PolarHBondContact O-N 2.87Å |
| 207 | Q | 96.9 | Very high | 93 | Very high | 142 Ų | 142 | 114 Ų | 114 | 66% | 0.664 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.5 | -42.7 | 177.3 | -174.5 | 164.2 | -16.5 | 0 | 0 | 112.1 | A203 R204 L205 L210 Q211 | A203-Q207 WeakPolarHBondContact O-CB 3.45Å; A203-Q207 PolarHBondContact O-N 3.36Å; R204-Q207 PolarHBondContact O-N 3.12Å; L205-Q207 VanDerWaalsContact C-N 3.3Å; L205-Q207 PolarHBondContact O-N 3.45Å; Q207-L210 PolarHBondContact O-N 2.71Å; Q207-Q211 WeakPolarHBondContact O-CB 3.35Å; Q207-Q211 PolarHBondContact O-N 3.12Å |
| 208 | L | 96.6 | Very high | 91.4 | Very high | 87 Ų | 87 | 116.1 Ų | 116.1 | 46% | 0.455 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63 | -43.1 | 174.6 | -178.3 | 65.6 | 0 | 0 | 0 | 111.5 | R204 L205 L210 Q211 L212 | R204-L208 PolarHBondContact O-N 3.24Å; L205-L208 PolarHBondContact O-N 2.98Å; L208-L210 VanDerWaalsContact C-N 3.29Å; L208-L210 PolarHBondContact O-N 3.34Å; L208-Q211 PolarHBondContact O-N 3.12Å; L208-L212 HydrophobicContact CG-CD1 4.15Å; L208-L212 WeakPolarHBondContact O-CB 3.49Å; L208-L212 WeakPolarHBondContact O-CG 3.38Å; L208-L212 PolarHBondContact O-N 3.35Å |
| 209 | Y | 94.9 | Very high | 89.7 | Confident | 163 Ų | 163 | 115.8 Ų | 115.8 | 64% | 0.639 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59.8 | -42.3 | 176.3 | 179.1 | -96.7 | 0 | 0 | 0 | 111.5 | L205 Q206 L212 R213 | L205-Y209 WeakPolarHBondContact O-CB 3.38Å; L205-Y209 PolarHBondContact O-N 3.01Å; Q206-Y209 PolarHBondContact O-N 3.25Å; Y209-L212 PolarHBondContact O-N 3.46Å; Y209-R213 WeakPolarHBondContact O-CB 3.26Å; Y209-R213 PolarHBondContact O-N 3.23Å |
| 210 | L | 96.2 | Very high | 87.3 | Confident | 101 Ų | 101 | 117 Ų | 117 | 53% | 0.529 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.2 | -39.7 | 178.2 | -141.9 | 138 | 0 | 0 | 0 | 111.3 | Q206 Q207 L208 R213 I214 | Q206-L210 WeakPolarHBondContact O-CB 3.38Å; Q206-L210 PolarHBondContact O-N 2.87Å; Q207-L210 PolarHBondContact O-N 2.71Å; L208-L210 VanDerWaalsContact C-N 3.29Å; L208-L210 PolarHBondContact O-N 3.34Å; L210-R213 WeakPolarHBondContact O-CB 3.38Å; L210-R213 PolarHBondContact O-N 3.39Å; L210-I214 HydrophobicContact CD2-CD1 3.74Å; L210-I214 HydrophobicContact CD2-CG1 4.5Å; L210-I214 VanDerWaalsContact O-CG1 3.29Å; L210-I214 WeakPolarHBondContact O-CG1 3.48Å; L210-I214 PolarHBondContact O-N 3.47Å |
| 211 | Q | 93.6 | Very high | 85.1 | Confident | 101 Ų | 101 | 119.1 Ų | 119.1 | 47% | 0.472 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.2 | -42.1 | 174 | -170.9 | -177.5 | -29.9 | 0 | 0 | 111.9 | Q207 L208 R213 I214 Q215 | Q207-Q211 WeakPolarHBondContact O-CB 3.35Å; Q207-Q211 PolarHBondContact O-N 3.12Å; L208-Q211 PolarHBondContact O-N 3.12Å; Q211-R213 VanDerWaalsContact C-N 3.32Å; Q211-I214 PolarHBondContact O-N 2.96Å; Q211-Q215 WeakPolarHBondContact O-CB 3.49Å; Q211-Q215 VanDerWaalsContact O-CG 3.29Å; Q211-Q215 WeakPolarHBondContact O-CG 3.48Å; Q211-Q215 PolarHBondContact O-N 2.84Å |
| 212 | L | 93 | Very high | 82.7 | Confident | 99 Ų | 99 | 116.8 Ų | 116.8 | 52% | 0.518 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.8 | -37.3 | 174.5 | -74.3 | 168.8 | 0 | 0 | 0 | 111.7 | L208 Y209 Q215 R216 | L208-L212 HydrophobicContact CG-CD1 4.15Å; L208-L212 WeakPolarHBondContact O-CB 3.49Å; L208-L212 WeakPolarHBondContact O-CG 3.38Å; L208-L212 PolarHBondContact O-N 3.35Å; Y209-L212 PolarHBondContact O-N 3.46Å; L212-Q215 PolarHBondContact O-N 2.93Å; L212-R216 WeakPolarHBondContact O-CB 3.42Å; L212-R216 PolarHBondContact O-N 2.94Å |
| 213 | R | 89.5 | Confident | 80.3 | Confident | 184 Ų | 184 | 120.4 Ų | 120.4 | 69% | 0.694 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.3 | -39.1 | 175.5 | -173.3 | -176.8 | 178 | -154.3 | -0 | 112.1 | Y209 L210 Q211 | Y209-R213 WeakPolarHBondContact O-CB 3.26Å; Y209-R213 PolarHBondContact O-N 3.23Å; L210-R213 WeakPolarHBondContact O-CB 3.38Å; L210-R213 PolarHBondContact O-N 3.39Å; Q211-R213 VanDerWaalsContact C-N 3.32Å |
| 214 | I | 84.4 | Confident | 78.2 | Confident | 131 Ų | 131 | 128 Ų | 128 | 67% | 0.672 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -74.3 | -35.3 | 177.5 | -64.4 | 164 | 0 | 0 | 0 | 111.1 | L210 Q211 R216 | L210-I214 HydrophobicContact CD2-CD1 3.74Å; L210-I214 HydrophobicContact CD2-CG1 4.5Å; L210-I214 VanDerWaalsContact O-CG1 3.29Å; L210-I214 WeakPolarHBondContact O-CG1 3.48Å; L210-I214 PolarHBondContact O-N 3.47Å; Q211-I214 PolarHBondContact O-N 2.96Å; I214-R216 VanDerWaalsContact C-N 3.33Å |
| 215 | Q | 79.9 | Confident | 75.9 | Confident | 127 Ų | 127 | 129.6 Ų | 129.6 | 59% | 0.593 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -78.2 | -16 | 177.2 | -72.9 | -172 | 102.7 | 0 | 0 | 113.6 | Q211 L212 P217 | Q211-Q215 WeakPolarHBondContact O-CB 3.49Å; Q211-Q215 VanDerWaalsContact O-CG 3.29Å; Q211-Q215 WeakPolarHBondContact O-CG 3.48Å; Q211-Q215 PolarHBondContact O-N 2.84Å; L212-Q215 PolarHBondContact O-N 2.93Å; Q215-P217 WeakPolarHBondContact O-CD 3.36Å |
| 216 | R | 81.9 | Confident | 73.5 | Confident | 195 Ų | 195 | 129.7 Ų | 129.7 | 74% | 0.736 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -68.6 | 121 | 171.3 | -166.4 | -179 | -175.6 | 129.1 | -3.2 | 107.6 | L212 I214 | L212-R216 WeakPolarHBondContact O-CB 3.42Å; L212-R216 PolarHBondContact O-N 2.94Å; I214-R216 VanDerWaalsContact C-N 3.33Å |
| 217 | P | 64.7 | Low | 71.2 | Confident | 97 Ų | 97 | 129.9 Ų | 129.9 | 63% | 0.63 | 68% | 0.684 | S | S | * | * | | | trans | -53.4 | 147.2 | 169.1 | -20.5 | 31.6 | 0 | 0 | 0 | 109 | Q215 G219 | Q215-P217 WeakPolarHBondContact O-CD 3.36Å; P217-G219 VanDerWaalsContact C-N 3.35Å; P217-G219 PolarHBondContact O-N 2.99Å |
| 218 | P | 63.8 | Low | 68.5 | Low | 133 Ų | 133 | 134.9 Ų | 134.9 | 86% | 0.864 | 70% | 0.697 | S | S | * | * | | | trans | -56 | 104.3 | 171.2 | -11.5 | 23.1 | 0 | 0 | 0 | 107.5 | D220 | P218-D220 PolarHBondContact O-N 3.18Š|
| 219 | G | 63.6 | Low | 65.9 | Low | 57 Ų | 57 | 134.9 Ų | 134.9 | 59% | 0.588 | 71% | 0.71 | S | S | * | * | | | trans | -65.9 | 127 | 165.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | P217 | P217-G219 VanDerWaalsContact C-N 3.35Å; P217-G219 PolarHBondContact O-N 2.99Å |
| 220 | D | 46.9 | Very low | 63.6 | Low | 129 Ų | 129 | 133.2 Ų | 133.2 | 69% | 0.69 | 72% | 0.719 | S | S | * | * | | | trans | -49.5 | 125.5 | -178.1 | -144.9 | -10 | 0 | 0 | 0 | 109.7 | P218 G222 | P218-D220 PolarHBondContact O-N 3.18Å; D220-G222 PolarHBondContact O-N 3.48Å |
| 221 | P | 53.8 | Low | 61.4 | Low | 133 Ų | 133 | 136.1 Ų | 136.1 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 60.5 | 178.8 | 32.4 | -35.7 | 0 | 0 | 0 | 110.8 | | |
| 222 | G | 47.1 | Very low | 58.9 | Low | 64 Ų | 64 | 137 Ų | 137 | 66% | 0.66 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.3 | 5.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | D220 | D220-G222 PolarHBondContact O-N 3.48Š|
| 223 | E | 47.2 | Very low | 56.4 | Low | 166 Ų | 166 | 137.6 Ų | 137.6 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -136.2 | 12.4 | -173.7 | 62.8 | -169.8 | 172.4 | 0 | 0 | 116.7 | | |
| 224 | E | 53.5 | Low | 54.2 | Low | 207 Ų | 207 | 134.8 Ų | 134.8 | 97% | 0.967 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -91.4 | 1.8 | 169.2 | -66.1 | -162.1 | 150.6 | 0 | 0 | 113.8 | | |
| 225 | E | 50.8 | Low | 52.1 | Low | 178 Ų | 178 | 136.2 Ų | 136.2 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -131.7 | 110.8 | 175.8 | -162.4 | 168 | 176.3 | 0 | 0 | 111.1 | | |
| 226 | S | 48.3 | Very low | 50.1 | Low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 80.1 | 96.7 | 169.2 | -148.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 227 | T | 48.2 | Very low | 48 | Very low | 126 Ų | 126 | 136 Ų | 136 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | | 157.7 | 100.5 | 106.8 | -45.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 228 | R | 40.7 | Very low | 47.2 | Very low | 246 Ų | 246 | 137.6 Ų | 137.6 | 93% | 0.928 | 80% | 0.801 | S | S | * | * | | | trans | -179.6 | 98.7 | 142.7 | -103.4 | 167 | 178.5 | 178 | 0.8 | 113.1 | | |
| 229 | A | 40.9 | Very low | 45.9 | Very low | 88 Ų | 88 | 134.9 Ų | 134.9 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | 52.9 | 144 | 136.3 | 0 | 0 | 0 | 0 | 0 | 122 | L231 | A229-L231 PolarHBondContact O-N 2.9Š|
| 230 | P | 48.5 | Very low | 44.7 | Very low | 127 Ų | 127 | 140 Ų | 140 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 130.1 | -175.9 | 29.6 | -33 | 0 | 0 | 0 | 111.8 | | |
| 231 | L | 48.6 | Very low | 44.7 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 140.7 | 172.1 | -77 | 152.4 | 0 | 0 | 0 | 110.6 | A229 S233 | A229-L231 PolarHBondContact O-N 2.9Å; L231-S233 PolarHBondContact O-N 2.89Å |
| 232 | P | 42.4 | Very low | 44.5 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 123.9 | 172 | 28.5 | -30.5 | 0 | 0 | 0 | 109.3 | | |
| 233 | S | 38.8 | Very low | 44.3 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -52 | 130.2 | 173.5 | -58.7 | 0 | 0 | 0 | 0 | 111 | L231 L235 | L231-S233 PolarHBondContact O-N 2.89Å; S233-L235 PolarHBondContact O-N 3.47Å; S233-L235 VanDerWaalsContact O-N 3.12Å |
| 234 | P | 44.5 | Very low | 44.1 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66 | 116.4 | 170 | -16 | 29.7 | 0 | 0 | 0 | 109 | H236 | P234-H236 PolarHBondContact O-N 3.27Š|
| 235 | L | 39.8 | Very low | 43.8 | Very low | 162 Ų | 162 | 135.8 Ų | 135.8 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 128 | 172.1 | -156.3 | 82.5 | 0 | 0 | 0 | 110.1 | S233 T237 | S233-L235 PolarHBondContact O-N 3.47Å; S233-L235 VanDerWaalsContact O-N 3.12Å; L235-T237 PolarHBondContact O-N 3.2Å |
| 236 | H | 38.7 | Very low | 43.3 | Very low | 186 Ų | 186 | 137.2 Ų | 137.2 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 123.3 | 172.8 | -79.1 | -88 | 0 | 0 | 0 | 112 | P234 | P234-H236 PolarHBondContact O-N 3.27Š|
| 237 | T | 37.1 | Very low | 43.4 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | | | trans | -112.9 | 126.6 | 153.8 | 51.2 | 0 | 0 | 0 | 0 | 108.9 | L235 | L235-T237 PolarHBondContact O-N 3.2Š|
| 238 | P | 47.8 | Very low | 43.4 | Very low | 131 Ų | 131 | 139 Ų | 139 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | trans | -86.5 | 127 | -175.3 | 32.3 | -29.6 | 0 | 0 | 0 | 110.6 | | |
| 239 | G | 36.1 | Very low | 43.6 | Very low | 77 Ų | 77 | 135.7 Ų | 135.7 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | trans | 92.4 | 102.2 | 154 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 240 | N | 40.2 | Very low | 43.6 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | | | | -166.9 | 134.1 | 112.4 | -159.9 | -11.5 | 0 | 0 | 0 | 108.9 | | |
| 241 | R | 45.2 | Very low | 43.4 | Very low | 237 Ų | 237 | 139.1 Ų | 139.1 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | | | trans | -79.6 | 128.3 | -177.8 | 176.9 | -167.1 | -61.8 | -91.5 | -0.3 | 108.9 | | |
| 242 | G | 49.4 | Very low | 42.9 | Very low | 66 Ų | 66 | 138.3 Ų | 138.3 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | | | trans | 89.5 | 105.3 | 156 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 243 | Q | 43.7 | Very low | 42.8 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | | 178.3 | 124.8 | 127.6 | -97.5 | 177.7 | -10 | 0 | 0 | 108.2 | E247 | Q243-E247 VanDerWaalsContact CD-OE2 3.32Å; Q243-E247 VanDerWaalsContact CG-OE2 3.26Å; Q243-E247 WeakPolarHBondContact CG-OE2 3.5Å; Q243-E247 PolarHBondContact NE2-OE2 3.27Å |
| 244 | G | 42.7 | Very low | 42.9 | Very low | 25 Ų | 25 | 142.5 Ų | 142.5 | 26% | 0.258 | 77% | 0.772 | S | S | . | * | | | trans | -76.8 | 154.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | W246 | G244-W246 PolarHBondContact O-N 3.43Š|
| 245 | P | 46.9 | Very low | 42.4 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 7.6 | -171.9 | -21.8 | 34.2 | 0 | 0 | 0 | 117.2 | | |
| 246 | W | 40.2 | Very low | 42.1 | Very low | 209 Ų | 209 | 139.3 Ų | 139.3 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -0.2 | -170.9 | 20.9 | 85.1 | 0 | 0 | 0 | 114.8 | G244 | G244-W246 PolarHBondContact O-N 3.43Š|
| 247 | E | 50.8 | Low | 42.2 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 51% | 0.505 | 77% | 0.773 | S | S | . | * | S | Bend | trans | -97.5 | 5.1 | -172.1 | -70.5 | 158.9 | -164 | 0 | 0 | 114.8 | Q243 | Q243-E247 VanDerWaalsContact CD-OE2 3.32Å; Q243-E247 VanDerWaalsContact CG-OE2 3.26Å; Q243-E247 WeakPolarHBondContact CG-OE2 3.5Å; Q243-E247 PolarHBondContact NE2-OE2 3.27Å |
| 248 | L | 49.5 | Very low | 42.4 | Very low | 164 Ų | 164 | 139.8 Ų | 139.8 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -95.1 | 1.4 | -174.6 | -98.5 | 151.6 | 0 | 0 | 0 | 115.7 | | |
| 249 | L | 43.2 | Very low | 41.8 | Very low | 175 Ų | 175 | 138.2 Ų | 138.2 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -100.9 | 3.2 | -175.1 | -87.8 | 161.9 | 0 | 0 | 0 | 115.3 | | |
| 250 | S | 42.3 | Very low | 42 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -126.6 | 51.3 | -177 | 60.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 251 | Q | 42.8 | Very low | 42.1 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | | | trans | -151.5 | 83.1 | 162 | -75.1 | -149.7 | 63 | 0 | 0 | 111 | | |
| 252 | T | 38.8 | Very low | 42 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | | | trans | -146.7 | 86.5 | 155.2 | -61.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 253 | E | 41.1 | Very low | 41.9 | Very low | 166 Ų | 166 | 135 Ų | 135 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -147.1 | 124.9 | 153.8 | -105 | -174.6 | 135.3 | 0 | 0 | 109.8 | | |
| 254 | H | 40.6 | Very low | 41.8 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | | | trans | 60 | 109.9 | 151.1 | -56.4 | -55.6 | 0 | 0 | 0 | 120.4 | | |
| 255 | T | 33.7 | Very low | 41.7 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 91% | 0.908 | 81% | 0.814 | S | S | * | * | | | | 172.4 | 134.5 | 117 | -72.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 256 | G | 34 | Very low | 41.2 | Very low | 73 Ų | 73 | 144.7 Ų | 144.7 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | | | trans | 106.9 | 94.3 | 142.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 257 | A | 40.9 | Very low | 41.6 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | | | trans | -66.4 | 138.7 | 167 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 258 | K | 39.8 | Very low | 41.3 | Very low | 219 Ų | 219 | 141.4 Ų | 141.4 | 95% | 0.952 | 83% | 0.83 | S | S | * | * | | | trans | -161.3 | 139.5 | 137.8 | -145.8 | 170.1 | 179 | -179.9 | 0 | 112 | | |
| 259 | A | 37.1 | Very low | 41.1 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | | | trans | -82.8 | 155.2 | -160.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 260 | A | 39 | Very low | 41.1 | Very low | 104 Ų | 104 | 135 Ų | 135 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | | | trans | -158.1 | 138.5 | 137.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 261 | S | 41.8 | Very low | 41.5 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 158.5 | -157.1 | -46.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 262 | P | 43.8 | Very low | 42 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -93 | 154.5 | 165.1 | 35.6 | -31.5 | 0 | 0 | 0 | 112.8 | | |
| 263 | P | 47 | Very low | 42.2 | Very low | 134 Ų | 134 | 132 Ų | 132 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 154.9 | 173.2 | 32.8 | -31.6 | 0 | 0 | 0 | 113.1 | | |
| 264 | K | 41.9 | Very low | 42.6 | Very low | 201 Ų | 201 | 135 Ų | 135 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 123.7 | -160.6 | 176.8 | 174.9 | -178.8 | 176.3 | 0 | 111.8 | | |
| 265 | V | 40.5 | Very low | 43 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 83% | 0.83 | 82% | 0.819 | S | S | * | * | | | trans | -149.4 | 91.7 | 159.1 | 179.4 | 0 | 0 | 0 | 0 | 105.9 | | |
| 266 | E | 35.7 | Very low | 43.9 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 81% | 0.808 | 82% | 0.815 | S | S | * | * | | | | 66.6 | 114.7 | 100.8 | -161.6 | 166.9 | -175 | 0 | 0 | 113.7 | | |
| 267 | V | 49.1 | Very low | 44.3 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 76% | 0.764 | 82% | 0.819 | S | S | * | * | | | trans | -101.3 | 141.3 | -170.4 | 173.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 268 | P | 44.3 | Very low | 44.7 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | | | trans | -106.3 | 122.8 | 140.6 | 17.1 | -2.1 | 0 | 0 | 0 | 110.3 | A270 | P268-A270 PolarHBondContact O-N 3.21Š|
| 269 | S | 46.4 | Very low | 45.1 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | | | trans | -50.5 | 123.3 | 173.7 | 168.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 270 | A | 43.1 | Very low | 45.7 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -145.3 | 118.5 | 155.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | P268 | P268-A270 PolarHBondContact O-N 3.21Š|
| 271 | N | 49.9 | Very low | 45.9 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 141.9 | -176.5 | -87.5 | -75.1 | 0 | 0 | 0 | 113.7 | | |
| 272 | P | 53.6 | Low | 46.1 | Very low | 101 Ų | 101 | 139.4 Ų | 139.4 | 66% | 0.656 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 147.3 | 162.3 | 31.4 | -31.9 | 0 | 0 | 0 | 110.9 | R274 | P272-R274 PolarHBondContact O-N 3.47Š|
| 273 | P | 43.7 | Very low | 46.1 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 123.7 | 171.4 | 26.8 | -30.9 | 0 | 0 | 0 | 109.2 | | |
| 274 | R | 49.8 | Very low | 45.8 | Very low | 230 Ų | 230 | 141.7 Ų | 141.7 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 133.5 | 179.8 | -66 | -175 | -179.8 | 176.5 | 0 | 110.2 | P272 | P272-R274 PolarHBondContact O-N 3.47Š|
| 275 | L | 49 | Very low | 46 | Very low | 161 Ų | 161 | 140 Ų | 140 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 134.3 | 166 | -64.1 | 168.3 | 0 | 0 | 0 | 109.2 | E277 | L275-E277 PolarHBondContact O-N 3.49Š|
| 276 | P | 52.1 | Low | 46.7 | Very low | 126 Ų | 126 | 141 Ų | 141 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 135.1 | 168.8 | 26.8 | -29.8 | 0 | 0 | 0 | 109.5 | | |
| 277 | E | 42.7 | Very low | 47.6 | Very low | 179 Ų | 179 | 138.6 Ų | 138.6 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 146.4 | 178.7 | -69.4 | 162.1 | 141.6 | 0 | 0 | 112.5 | L275 | L275-E277 PolarHBondContact O-N 3.49Š|
| 278 | T | 49.3 | Very low | 47.5 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -38.7 | 124.9 | 165.4 | 42 | 0 | 0 | 0 | 0 | 112.8 | V280 | T278-V280 PolarHBondContact O-N 3.28Š|
| 279 | P | 47.7 | Very low | 47.9 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | trans | -72.7 | 119.1 | 165.2 | 26.6 | -28.6 | 0 | 0 | 0 | 109.7 | | |
| 280 | V | 50.3 | Low | 48.3 | Very low | 131 Ų | 131 | 141 Ų | 141 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | trans | -25.8 | 123.8 | 162.6 | 165.2 | 0 | 0 | 0 | 0 | 113.3 | T278 | T278-V280 PolarHBondContact O-N 3.28Š|
| 281 | E | 41.6 | Very low | 48.2 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | | | trans | -45.6 | 125.1 | 162.3 | -172.1 | 170.5 | -168.2 | 0 | 0 | 110.4 | T283 | E281-T283 PolarHBondContact O-N 2.85Š|
| 282 | P | 46 | Very low | 47.9 | Very low | 92 Ų | 92 | 140.7 Ų | 140.7 | 60% | 0.597 | 78% | 0.776 | S | S | * | * | | | trans | -68.1 | 100 | 168.9 | -8.7 | 22.3 | 0 | 0 | 0 | 108 | Y284 | P282-Y284 VanDerWaalsContact C-N 3.33Å; P282-Y284 WeakPolarHBondContact O-CD2 3.32Å; P282-Y284 PolarHBondContact O-N 2.91Å |
| 283 | T | 43.6 | Very low | 47.8 | Very low | 100 Ų | 100 | 145.8 Ų | 145.8 | 61% | 0.613 | 79% | 0.787 | S | S | * | * | | | trans | -52.3 | 99.5 | 162.2 | -58 | 0 | 0 | 0 | 0 | 108.1 | E281 H285 | E281-T283 PolarHBondContact O-N 2.85Å; T283-H285 VanDerWaalsContact C-N 3.26Å; T283-H285 PolarHBondContact O-N 2.97Å |
| 284 | Y | 40.8 | Very low | 48 | Very low | 203 Ų | 203 | 145.5 Ų | 145.5 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | | | trans | -68.3 | 91.8 | 166.6 | -67.7 | -80.1 | 0 | 0 | 0 | 107.6 | P282 L286 | P282-Y284 VanDerWaalsContact C-N 3.33Å; P282-Y284 WeakPolarHBondContact O-CD2 3.32Å; P282-Y284 PolarHBondContact O-N 2.91Å; Y284-L286 PolarHBondContact O-N 2.89Å |
| 285 | H | 47.1 | Very low | 48 | Very low | 166 Ų | 166 | 146 Ų | 146 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -64.5 | 97.9 | 164.2 | -79.5 | -80.5 | 0 | 0 | 0 | 108.4 | T283 P287 | T283-H285 VanDerWaalsContact C-N 3.26Å; T283-H285 PolarHBondContact O-N 2.97Å; H285-P287 WeakPolarHBondContact O-CD 3.44Å |
| 286 | L | 55.3 | Low | 47.9 | Very low | 157 Ų | 157 | 144.7 Ų | 144.7 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | -62.2 | 122.9 | 159.7 | -72.6 | 154.7 | 0 | 0 | 0 | 107.8 | Y284 S288 | Y284-L286 PolarHBondContact O-N 2.89Å; L286-S288 PolarHBondContact O-N 3.09Å |
| 287 | P | 53.6 | Low | 47.8 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | | | trans | -71.2 | 113.3 | 166.5 | 27.7 | -28.4 | 0 | 0 | 0 | 108.2 | H285 S289 | H285-P287 WeakPolarHBondContact O-CD 3.44Å; P287-S289 PolarHBondContact O-N 3.17Å; P287-S289 VanDerWaalsContact O-N 3.09Å |
| 288 | S | 48.3 | Very low | 47.5 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | -60.3 | 105.8 | 166 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | L286 Q290 | L286-S288 PolarHBondContact O-N 3.09Å; S288-Q290 VanDerWaalsContact C-N 3.25Å; S288-Q290 PolarHBondContact O-N 3.13Å |
| 289 | S | 52 | Low | 47.9 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | -79.1 | 78.2 | 171 | 62.7 | 0 | 0 | 0 | 0 | 109.3 | P287 G291 | P287-S289 PolarHBondContact O-N 3.17Å; P287-S289 VanDerWaalsContact O-N 3.09Å; S289-G291 VanDerWaalsContact C-N 3.32Å; S289-G291 PolarHBondContact O-N 3.02Å; S289-G291 VanDerWaalsContact O-N 3.13Å |
| 290 | Q | 55.8 | Low | 48.6 | Very low | 183 Ų | 183 | 145.4 Ų | 145.4 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | | | trans | -78.5 | 87.3 | 163.7 | -173.1 | 164 | -7.8 | 0 | 0 | 108.4 | S288 | S288-Q290 VanDerWaalsContact C-N 3.25Å; S288-Q290 PolarHBondContact O-N 3.13Å |
| 291 | G | 40.5 | Very low | 48.5 | Very low | 65 Ų | 65 | 146.1 Ų | 146.1 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | | | trans | -93.2 | 115.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | S289 | S289-G291 VanDerWaalsContact C-N 3.32Å; S289-G291 PolarHBondContact O-N 3.02Å; S289-G291 VanDerWaalsContact O-N 3.13Å |
| 292 | H | 44.1 | Very low | 48.9 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 75% | 0.75 | 80% | 0.799 | S | S | * | * | | | trans | -27 | 123.4 | 168.4 | -120.7 | 45 | 0 | 0 | 0 | 114.8 | D294 | H292-D294 IonicContact CD2-OD1 3.29Å; H292-D294 PolarHBondContact CD2-OD1 3.35Å; H292-D294 VanDerWaalsContact CD2-OD1 3.29Å; H292-D294 IonicContact CD2-OD2 3.87Å; H292-D294 IonicContact NE2-OD1 3.9Å |
| 293 | K | 51.3 | Low | 49 | Very low | 208 Ų | 208 | 148.1 Ų | 148.1 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | | | trans | -89.2 | 94.1 | 154.7 | -80 | -175 | 174.7 | 180 | 0 | 107.2 | R295 | K293-R295 PolarHBondContact O-N 3.29Š|
| 294 | D | 46.7 | Very low | 49.3 | Very low | 123 Ų | 123 | 150.9 Ų | 150.9 | 66% | 0.658 | 82% | 0.822 | S | S | * | * | | | trans | -64.2 | 123.7 | 163.4 | -80.9 | -41.5 | 0 | 0 | 0 | 109.1 | H292 V296 | H292-D294 IonicContact CD2-OD1 3.29Å; H292-D294 PolarHBondContact CD2-OD1 3.35Å; H292-D294 VanDerWaalsContact CD2-OD1 3.29Å; H292-D294 IonicContact CD2-OD2 3.87Å; H292-D294 IonicContact NE2-OD1 3.9Å; D294-V296 PolarHBondContact O-N 3.26Å |
| 295 | R | 49.4 | Very low | 49.9 | Very low | 241 Ų | 241 | 147.6 Ų | 147.6 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | | | trans | -56.9 | 117.7 | 159.8 | -88.2 | 176.8 | 154.4 | -161.5 | -3.9 | 107.8 | K293 | K293-R295 PolarHBondContact O-N 3.29Š|
| 296 | V | 47.7 | Very low | 50.1 | Low | 133 Ų | 133 | 146.4 Ų | 146.4 | 81% | 0.806 | 83% | 0.828 | S | S | * | * | | | trans | -119.5 | 110 | 155 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | D294 | D294-V296 PolarHBondContact O-N 3.26Š|
| 297 | Q | 50 | Low | 49.7 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | | | trans | -53.6 | 135.3 | 160.7 | -95.6 | 161.8 | -0 | 0 | 0 | 110.3 | | |
| 298 | G | 37.4 | Very low | 49.4 | Very low | 69 Ų | 69 | 147.5 Ų | 147.5 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | | | trans | -128.9 | 130.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 299 | P | 57.1 | Low | 49.5 | Very low | 120 Ų | 120 | 150.8 Ų | 150.8 | 78% | 0.779 | 84% | 0.838 | S | S | * | * | | | trans | -89.8 | 165.4 | 175.5 | 37.8 | -32.8 | 0 | 0 | 0 | 111.2 | | |
| 300 | P | 61.9 | Low | 49.3 | Very low | 202 Ų | 202 | 153.7 Ų | 153.7 | 100% | 1.312 | 84% | 0.838 | S | S | * | * | | | trans | -77.9 | 0 | 145.3 | 33.7 | -30.6 | 0 | 0 | 0 | 111.7 | | |