| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46.8 | Very low | 41.1 | Very low | 211 Ų | 211 | 140.1 Ų | 140.1 | 100% | 1.039 | 78% | 0.784 | S | S | * | * | 0 | 111.6 | 0 | -61.2 | -45.8 | -173.5 | 0 | 0 | 107.4 | |||||
| 2 | P | 59.5 | Low | 40.3 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | cis | -74.6 | -154.2 | 2.1 | -11.9 | 30 | 0 | 0 | 0 | 112.5 | ||||
| 3 | D | 39.5 | Very low | 39.5 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | 179.9 | 163.3 | -75 | -138.5 | -50 | 0 | 0 | 0 | 110.3 | |||||
| 4 | R | 42.8 | Very low | 38.9 | Very low | 200 Ų | 200 | 127.4 Ų | 127.4 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | 62.1 | 113.5 | 160.7 | -56.8 | -145.9 | 71.8 | 173.2 | 3.5 | 123.4 | ||||
| 5 | D | 41.8 | Very low | 38.7 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 57% | 0.572 | 80% | 0.798 | S | S | * | * | 66.1 | 109.1 | 119.2 | -75.1 | -53.8 | 0 | 0 | 0 | 125.2 | |||||
| 6 | S | 40 | Very low | 38.1 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | 63.1 | 101.6 | 106.3 | -52.5 | 0 | 0 | 0 | 0 | 122 | |||||
| 7 | S | 38.8 | Very low | 37.7 | Very low | 121 Ų | 121 | 120.9 Ų | 120.9 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -173.4 | 167.2 | 141.4 | 41.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 8 | Y | 36 | Very low | 37.3 | Very low | 209 Ų | 209 | 121.7 Ų | 121.7 | 82% | 0.82 | 80% | 0.797 | S | S | * | * | -163.9 | 146.4 | -50.3 | -154.7 | -119.5 | 0 | 0 | 0 | 106.8 | |||||
| 9 | L | 39.2 | Very low | 36.9 | Very low | 142 Ų | 142 | 123.3 Ų | 123.3 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | 69 | 137.7 | 171.3 | -66.7 | 163.7 | 0 | 0 | 0 | 121.2 | ||||
| 10 | S | 37.2 | Very low | 36.7 | Very low | 111 Ų | 111 | 123.7 Ų | 123.7 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | 15 | 142.7 | 138 | -46.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 11 | G | 30.8 | Very low | 36.4 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | cis | 120.1 | 115.1 | 12.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 12 | G | 31.1 | Very low | 35.8 | Very low | 85 Ų | 85 | 123.4 Ų | 123.4 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | trans | -178.8 | 146 | -178.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 13 | G | 30.3 | Very low | 34.5 | Very low | 81 Ų | 81 | 120.9 Ų | 120.9 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -139.5 | 174.1 | -168 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 14 | G | 31.6 | Very low | 34.1 | Very low | 76 Ų | 76 | 118.2 Ų | 118.2 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | 88.2 | 156.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 15 | S | 34.8 | Very low | 34.4 | Very low | 123 Ų | 123 | 115.3 Ų | 115.3 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | cis | -171 | 133.2 | -12.9 | 47.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 16 | G | 30.3 | Very low | 33.9 | Very low | 87 Ų | 87 | 113.9 Ų | 113.9 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | 92.9 | 152.6 | 149.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 17 | G | 29.9 | Very low | 33.8 | Very low | 63 Ų | 63 | 115.4 Ų | 115.4 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | trans | 123.8 | 101.7 | 148.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 18 | T | 31 | Very low | 33.4 | Very low | 135 Ų | 135 | 113.2 Ų | 113.2 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | trans | 64.8 | 154.1 | 143.8 | 61.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 19 | L | 29.9 | Very low | 33.3 | Very low | 151 Ų | 151 | 111.5 Ų | 111.5 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | cis | -163.7 | -176 | -13.3 | -111.3 | 168.2 | 0 | 0 | 0 | 107.7 | ||||
| 20 | V | 32 | Very low | 33 | Very low | 131 Ų | 131 | 111.9 Ų | 111.9 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | 74.5 | 142.8 | 165 | -171.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 21 | E | 31 | Very low | 32.7 | Very low | 157 Ų | 157 | 110.1 Ų | 110.1 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | cis | -176.5 | 165.5 | -39.1 | -113.6 | -84.9 | 63.4 | 0 | 0 | 108.3 | ||||
| 22 | E | 34.1 | Very low | 32.6 | Very low | 172 Ų | 172 | 110.3 Ų | 110.3 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 62.1 | 158.6 | 160.3 | -74.6 | -82.5 | 56.5 | 0 | 0 | 120.8 | ||||
| 23 | G | 31.9 | Very low | 32.7 | Very low | 73 Ų | 73 | 112.3 Ų | 112.3 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | 133.6 | 33.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 24 | G | 31 | Very low | 32.9 | Very low | 73 Ų | 73 | 112.7 Ų | 112.7 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -84.8 | -176.1 | 154.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 25 | P | 50.1 | Low | 32.9 | Very low | 140 Ų | 140 | 116 Ų | 116 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | cis | -131.1 | -165 | -1.7 | 42.8 | -26.2 | 0 | 0 | 0 | 112.9 | ||||
| 26 | G | 31.9 | Very low | 32.9 | Very low | 77 Ų | 77 | 116.2 Ų | 116.2 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | 165.3 | 107 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 27 | S | 36.9 | Very low | 33.2 | Very low | 136 Ų | 136 | 124.3 Ų | 124.3 | 95% | 0.951 | 82% | 0.82 | S | S | * | * | trans | -95.4 | 151.3 | 178.9 | -57.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 28 | G | 30.8 | Very low | 33.4 | Very low | 75 Ų | 75 | 125.1 Ų | 125.1 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | trans | -152.6 | 139.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 29 | L | 32.8 | Very low | 33.5 | Very low | 173 Ų | 173 | 122.2 Ų | 122.2 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | trans | -123.9 | 177.1 | -179.3 | -72.4 | 172.1 | 0 | 0 | 0 | 110.7 | ||||
| 30 | V | 33.4 | Very low | 34.1 | Very low | 150 Ų | 150 | 121 Ų | 121 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | 78 | 144 | -176.4 | 108.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 31 | G | 30.2 | Very low | 34.2 | Very low | 73 Ų | 73 | 118.8 Ų | 118.8 | 75% | 0.753 | 83% | 0.832 | S | S | * | * | cis | 131.3 | 128.1 | -8.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 32 | G | 30.1 | Very low | 34.4 | Very low | 85 Ų | 85 | 115.3 Ų | 115.3 | 88% | 0.876 | 84% | 0.838 | S | S | * | * | trans | 147.6 | 140.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 33 | S | 33 | Very low | 34.3 | Very low | 128 Ų | 128 | 110.5 Ų | 110.5 | 90% | 0.895 | 84% | 0.835 | S | S | * | * | trans | -108.6 | 153.4 | 174.4 | -51.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 34 | A | 34.9 | Very low | 34.5 | Very low | 89 Ų | 89 | 114.3 Ų | 114.3 | 74% | 0.736 | 84% | 0.844 | S | S | * | * | trans | -175.7 | 126.4 | 146.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 35 | D | 31.6 | Very low | 34.5 | Very low | 146 Ų | 146 | 114.7 Ų | 114.7 | 78% | 0.781 | 85% | 0.848 | S | S | * | * | 52.5 | 99.1 | 127.6 | -51.4 | -22.8 | 0 | 0 | 0 | 124 | |||||
| 36 | C | 33.5 | Very low | 33.6 | Very low | 127 Ų | 127 | 112 Ų | 112 | 86% | 0.858 | 85% | 0.845 | S | S | * | * | 26.6 | 109.1 | 111.9 | -59.4 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 37 | R | 37.1 | Very low | 33.8 | Very low | 257 Ų | 257 | 116.2 Ų | 116.2 | 97% | 0.97 | 85% | 0.849 | S | S | * | * | trans | -147.7 | 151.1 | 140.7 | -64.8 | -168.8 | 177.6 | -170.5 | -1.7 | 109.3 | ||||
| 38 | G | 33 | Very low | 33.8 | Very low | 79 Ų | 79 | 118.1 Ų | 118.1 | 81% | 0.814 | 85% | 0.847 | S | S | * | * | cis | 153 | 110.8 | -10.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 39 | G | 34.6 | Very low | 34.3 | Very low | 74 Ų | 74 | 120.5 Ų | 120.5 | 76% | 0.763 | 85% | 0.852 | S | S | * | * | trans | 81.5 | 165 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 40 | S | 41.9 | Very low | 34.3 | Very low | 127 Ų | 127 | 116 Ų | 116 | 89% | 0.888 | 85% | 0.848 | S | S | * | * | cis | -165.2 | 143.2 | -8.5 | -85.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 41 | G | 35 | Very low | 34.6 | Very low | 83 Ų | 83 | 115 Ų | 115 | 86% | 0.856 | 85% | 0.847 | S | S | * | * | trans | 75 | 147.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 42 | G | 33.9 | Very low | 34.8 | Very low | 84 Ų | 84 | 115.4 Ų | 115.4 | 87% | 0.866 | 85% | 0.851 | S | S | * | * | cis | 115.6 | 127.6 | 5.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 43 | G | 33.1 | Very low | 34.9 | Very low | 71 Ų | 71 | 114.7 Ų | 114.7 | 73% | 0.732 | 84% | 0.844 | S | S | * | * | cis | -168.1 | -151.6 | -0.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 44 | V | 35.6 | Very low | 35.2 | Very low | 154 Ų | 154 | 118.1 Ų | 118.1 | 93% | 0.933 | 85% | 0.848 | S | S | * | * | trans | 0.7 | 139.9 | 165.6 | -63.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 45 | G | 31.9 | Very low | 35.2 | Very low | 81 Ų | 81 | 118 Ų | 118 | 84% | 0.835 | 86% | 0.855 | S | S | * | * | cis | 129.9 | 133.7 | 12.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 46 | G | 31.2 | Very low | 35.3 | Very low | 83 Ų | 83 | 115 Ų | 115 | 86% | 0.856 | 86% | 0.86 | S | S | * | * | trans | 170.5 | 130.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 47 | N | 35.9 | Very low | 35.4 | Very low | 166 Ų | 166 | 112.7 Ų | 112.7 | 89% | 0.888 | 86% | 0.857 | S | S | * | * | trans | -94.2 | 148.1 | 169.2 | -67.9 | -23.4 | 0 | 0 | 0 | 110 | ||||
| 48 | I | 36.4 | Very low | 35.3 | Very low | 176 Ų | 176 | 105.4 Ų | 105.4 | 90% | 0.903 | 85% | 0.852 | S | S | * | * | trans | -155.1 | 151.4 | 138.8 | 25.1 | 170.1 | 0 | 0 | 0 | 110.9 | ||||
| 49 | S | 40.2 | Very low | 35.5 | Very low | 125 Ų | 125 | 106 Ų | 106 | 87% | 0.874 | 85% | 0.849 | S | S | * | * | trans | -85.4 | 153.3 | 177.5 | -54 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 50 | G | 33 | Very low | 36.1 | Very low | 79 Ų | 79 | 108.7 Ų | 108.7 | 81% | 0.814 | 85% | 0.853 | S | S | * | * | trans | -144.7 | 126.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 51 | S | 40 | Very low | 35.7 | Very low | 128 Ų | 128 | 106.4 Ų | 106.4 | 90% | 0.895 | 85% | 0.849 | S | S | * | * | trans | -129.4 | 123.8 | -170.2 | 56.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 52 | G | 34 | Very low | 35.7 | Very low | 82 Ų | 82 | 110 Ų | 110 | 85% | 0.845 | 85% | 0.849 | S | S | * | * | trans | 159.4 | 154.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 53 | G | 33.3 | Very low | 35.9 | Very low | 70 Ų | 70 | 109.8 Ų | 109.8 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | cis | 168.7 | 118.7 | -9.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 54 | M | 38.9 | Very low | 36.2 | Very low | 199 Ų | 199 | 114.6 Ų | 114.6 | 98% | 0.98 | 84% | 0.843 | S | S | * | * | trans | 69.1 | 144.6 | 162.2 | -52.1 | 174.5 | 73.8 | 0 | 0 | 118.8 | ||||
| 55 | G | 34.6 | Very low | 36.2 | Very low | 86 Ų | 86 | 110 Ų | 110 | 89% | 0.887 | 83% | 0.828 | S | S | * | * | trans | 84.4 | 146 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 56 | G | 35.1 | Very low | 36.4 | Very low | 85 Ų | 85 | 116.8 Ų | 116.8 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | cis | 147.9 | 87.1 | -13.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 57 | G | 35.5 | Very low | 36.7 | Very low | 77 Ų | 77 | 116.3 Ų | 116.3 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | 108.6 | 146.4 | 157.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 58 | A | 33.1 | Very low | 37 | Very low | 105 Ų | 105 | 116.3 Ų | 116.3 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | trans | 54.2 | 126.1 | 157 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 59 | A | 37.2 | Very low | 37.2 | Very low | 92 Ų | 92 | 111.3 Ų | 111.3 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | trans | -85 | 159.1 | 143.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 60 | P | 47.3 | Very low | 37.2 | Very low | 130 Ų | 130 | 109.3 Ų | 109.3 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | -130.9 | 176.8 | 69.6 | 35.3 | -20.5 | 0 | 0 | 0 | 112.8 | |||||
| 61 | G | 34.8 | Very low | 37.2 | Very low | 78 Ų | 78 | 109.6 Ų | 109.6 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -113.5 | 159.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 62 | N | 34.8 | Very low | 37.1 | Very low | 158 Ų | 158 | 107.8 Ų | 107.8 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | trans | -154.5 | 156 | 134.2 | -159.9 | 15.5 | 0 | 0 | 0 | 111.8 | ||||
| 63 | S | 38.5 | Very low | 37.1 | Very low | 81 Ų | 81 | 107 Ų | 107 | 57% | 0.566 | 82% | 0.816 | S | S | * | * | trans | -1.8 | 118.1 | 166.3 | 59.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 64 | N | 39.2 | Very low | 37.8 | Very low | 171 Ų | 171 | 110.5 Ų | 110.5 | 91% | 0.914 | 83% | 0.827 | S | S | * | * | -159 | 148.3 | 115.1 | -100.7 | -13.6 | 0 | 0 | 0 | 110.2 | |||||
| 65 | G | 34.4 | Very low | 37.7 | Very low | 59 Ų | 59 | 104.4 Ų | 104.4 | 61% | 0.608 | 82% | 0.815 | S | S | * | * | cis | 163.1 | 13.2 | -0.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 66 | F | 36 | Very low | 38.2 | Very low | 223 Ų | 223 | 105.5 Ų | 105.5 | 98% | 0.978 | 82% | 0.816 | S | S | * | * | trans | -105.3 | 94.7 | 177 | -72 | -65.6 | 0 | 0 | 0 | 111.4 | ||||
| 67 | G | 39 | Very low | 38.1 | Very low | 73 Ų | 73 | 104.5 Ų | 104.5 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -110.6 | 139.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 68 | N | 42.3 | Very low | 38.7 | Very low | 165 Ų | 165 | 108.1 Ų | 108.1 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | -152.1 | 119.1 | 151.2 | -130.6 | 6.3 | 0 | 0 | 0 | 105.3 | ||||
| 69 | G | 41 | Very low | 39.2 | Very low | 72 Ų | 72 | 108.1 Ų | 108.1 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | cis | 90.4 | 125.6 | 14.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 70 | G | 39.1 | Very low | 39.8 | Very low | 83 Ų | 83 | 110.1 Ų | 110.1 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | cis | -146.5 | -164.9 | -12.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 71 | G | 33.3 | Very low | 40.4 | Very low | 84 Ų | 84 | 111.2 Ų | 111.2 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | cis | -145.9 | -161.1 | -8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 72 | G | 38.8 | Very low | 42.3 | Very low | 90 Ų | 90 | 109.2 Ų | 109.2 | 93% | 0.928 | 78% | 0.781 | S | S | * | * | cis | 135 | 61.8 | 14.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 73 | G | 33.2 | Very low | 44.5 | Very low | 65 Ų | 65 | 103.5 Ų | 103.5 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | trans | -158.2 | 140.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G75 | G73-G75 VanDerWaalsContact C-N 3.34Å; G73-G75 PolarHBondContact O-N 3.34Å | ||
| 74 | P | 48.8 | Very low | 46.7 | Very low | 144 Ų | 144 | 99.7 Ų | 99.7 | 94% | 0.935 | 73% | 0.725 | S | S | * | * | trans | -84.3 | 67 | -166.5 | 34.7 | -37.3 | 0 | 0 | 0 | 113.5 | ||||
| 75 | G | 35.1 | Very low | 48.8 | Very low | 72 Ų | 72 | 99.8 Ų | 99.8 | 74% | 0.742 | 71% | 0.713 | S | S | * | * | trans | -79.6 | 115.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | G73 G77 | G73-G75 VanDerWaalsContact C-N 3.34Å; G73-G75 PolarHBondContact O-N 3.34Å; G75-G77 PolarHBondContact O-N 3.02Å | ||
| 76 | A | 46.3 | Very low | 51.1 | Low | 109 Ų | 109 | 99.7 Ų | 99.7 | 90% | 0.901 | 70% | 0.698 | S | S | * | * | trans | -73.9 | 67.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 77 | G | 33.5 | Very low | 53.4 | Low | 64 Ų | 64 | 91.1 Ų | 91.1 | 66% | 0.66 | 66% | 0.661 | S | S | * | * | trans | -92 | 121.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G75 A79 | G75-G77 PolarHBondContact O-N 3.02Å; G77-A79 PolarHBondContact O-N 3.29Å | ||
| 78 | L | 46.2 | Very low | 55.4 | Low | 152 Ų | 152 | 93 Ų | 93 | 80% | 0.796 | 65% | 0.653 | S | S | * | * | trans | -71.5 | 88.2 | -174.5 | -66.4 | 171.9 | 0 | 0 | 0 | 112.9 | L80 | L78-L80 HydrophobicContact CB-CD1 4.14Å; L78-L80 HydrophobicContact CB-CG 4.31Å; L78-L80 HydrophobicContact CD1-CD1 4.39Å; L78-L80 PolarHBondContact O-N 3.17Å | ||
| 79 | A | 43.6 | Very low | 57.2 | Low | 105 Ų | 105 | 92.2 Ų | 92.2 | 87% | 0.868 | 64% | 0.637 | S | S | * | * | trans | -74.1 | 60.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G77 | G77-A79 PolarHBondContact O-N 3.29Š| ||
| 80 | L | 51.2 | Low | 58.6 | Low | 135 Ų | 135 | 94.9 Ų | 94.9 | 71% | 0.707 | 63% | 0.634 | S | S | * | * | trans | -78.6 | -19.9 | -170.2 | -87.6 | 168.5 | 0 | 0 | 0 | 115.4 | L78 G82 | L78-L80 HydrophobicContact CB-CD1 4.14Å; L78-L80 HydrophobicContact CB-CG 4.31Å; L78-L80 HydrophobicContact CD1-CD1 4.39Å; L78-L80 PolarHBondContact O-N 3.17Å; L80-G82 PolarHBondContact O-N 3.38Å | ||
| 81 | D | 59.1 | Low | 60.7 | Low | 152 Ų | 152 | 95.5 Ų | 95.5 | 81% | 0.813 | 62% | 0.621 | S | S | * | * | trans | -78.5 | 50.6 | -176.6 | -77.9 | -22.3 | 0 | 0 | 0 | 114.1 | V83 | D81-V83 PolarHBondContact O-N 3.01Š| ||
| 82 | G | 74.3 | Confident | 63.1 | Low | 36 Ų | 36 | 92.4 Ų | 92.4 | 37% | 0.371 | 59% | 0.586 | S | S | . | * | trans | -68.4 | 17 | 168 | 0 | 0 | 0 | 0 | 0 | 114.4 | L80 K101 | L80-G82 PolarHBondContact O-N 3.38Å; G82-K101 WeakPolarHBondContact O-CB 3.36Å; G82-K101 PolarHBondContact O-N 3.48Å | ||
| 83 | V | 82.2 | Confident | 65.3 | Low | 39 Ų | 39 | 98.2 Ų | 98.2 | 24% | 0.236 | 59% | 0.586 | C | S | . | * | B | Isolated β-bridge | trans | -93.5 | 142.3 | -174.5 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | D81 R85 I88 K101 P103 | D81-V83 PolarHBondContact O-N 3.01Å; V83-R85 PolarHBondContact O-N 2.73Å; V83-R85 VanDerWaalsContact O-N 3.08Å; V83-I88 HydrophobicContact CG1-CD1 3.78Å; V83-I88 HydrophobicContact CG1-CG1 3.98Å; V83-K101 CarbonylContact C-O 3.58Å; V83-K101 WeakPolarHBondContact CA-O 3.31Å; V83-P103 HydrophobicContact CG1-CG 4.19Å |
| 84 | C | 83.7 | Confident | 67.7 | Low | 1 Ų | 1 | 100.9 Ų | 100.9 | 1% | 0.007 | 58% | 0.576 | C | S | . | * | trans | -70.7 | 107.1 | -178.8 | -170.9 | 0 | 0 | 0 | 0 | 112 | D86 F87 I88 C92 C98 F100 K101 H102 | C84-D86 PolarHBondContact O-N 3.06Å; C84-D86 VanDerWaalsContact O-N 3.1Å; C84-F87 HydrophobicContact CB-CB 3.73Å; C84-F87 WeakPolarHBondContact O-CA 3.44Å; C84-F87 WeakPolarHBondContact O-CB 3.46Å; C84-F87 PolarHBondContact O-N 2.92Å; C84-I88 PolarHBondContact O-N 3.23Å; C84-I88 VanDerWaalsContact O-N 3.11Å; C84-C92 VanDerWaalsContact SG-SG 3.64Å; C84-C98 PolarHBondContact SG-SG 3.26Å; C84-F100 HydrophobicContact CB-CB 3.71Å; C84-K101 PolarHBondContact N-O 3.34Å; C84-H102 VanDerWaalsContact CB-CD2 3.42Å; C84-H102 WeakPolarHBondContact CB-CD2 3.3Å | ||
| 85 | R | 84.4 | Confident | 69 | Low | 173 Ų | 173 | 95.6 Ų | 95.6 | 65% | 0.653 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -22.9 | 173.9 | -68.9 | 166.5 | 70 | 91 | -9.9 | 113.5 | V83 R89 | V83-R85 PolarHBondContact O-N 2.73Å; V83-R85 VanDerWaalsContact O-N 3.08Å; R85-R89 PolarHBondContact O-NH1 3.42Å |
| 86 | D | 82.6 | Confident | 71 | Confident | 56 Ų | 56 | 100 Ų | 100 | 30% | 0.299 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -29.1 | 174.7 | -54.3 | -19.8 | 0 | 0 | 0 | 112 | C84 N90 V91 C92 R94 | C84-D86 PolarHBondContact O-N 3.06Å; C84-D86 VanDerWaalsContact O-N 3.1Å; D86-N90 PolarHBondContact O-N 3.42Å; D86-V91 HydrophobicContact CB-CG2 4.04Å; D86-V91 VanDerWaalsContact O-CG2 3.27Å; D86-V91 WeakPolarHBondContact O-CG2 3.47Å; D86-V91 PolarHBondContact O-N 2.87Å; D86-C92 HydrophobicContact CB-CB 3.65Å; D86-C92 PolarHBondContact O-N 3.01Å; D86-C92 VanDerWaalsContact O-N 3.07Å; D86-R94 IonicContact OD2-CZ 3.61Å; D86-R94 IonicContact OD2-NH2 3.85Å; D86-R94 PolarHBondContact OD2-NH2 3.25Å |
| 87 | F | 83.8 | Confident | 72.4 | Confident | 43 Ų | 43 | 105.9 Ų | 105.9 | 19% | 0.189 | 55% | 0.545 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -40.6 | 179.1 | 176.4 | -104.8 | 0 | 0 | 0 | 111.2 | C84 R89 N90 C92 H102 P103 | C84-F87 HydrophobicContact CB-CB 3.73Å; C84-F87 WeakPolarHBondContact O-CA 3.44Å; C84-F87 WeakPolarHBondContact O-CB 3.46Å; C84-F87 PolarHBondContact O-N 2.92Å; F87-R89 PolarHBondContact O-N 3.03Å; F87-R89 VanDerWaalsContact O-N 3.11Å; F87-N90 WeakPolarHBondContact O-CA 3.45Å; F87-N90 PolarHBondContact O-N 3.27Å; F87-C92 HydrophobicContact CB-CB 3.93Å; F87-H102 HydrophobicContact CD1-CB 3.91Å; F87-H102 AromaticContact CD1-CG 3.98Å; F87-H102 HydrophobicContact CD2-CB 4.07Å; F87-H102 AromaticContact CD2-CE1 3.54Å; F87-H102 AromaticContact CD2-CG 3.57Å; F87-H102 AromaticContact CD2-ND1 3.1Å; F87-H102 WeakPolarHBondContact CD2-ND1 3.34Å; F87-H102 HydrophobicContact CE1-CB 3.93Å; F87-H102 HydrophobicContact CE2-CB 4.07Å; F87-H102 AromaticContact CE2-ND1 3.56Å; F87-H102 HydrophobicContact CG-CB 3.97Å; F87-H102 AromaticContact CG-CD2 3.86Å; F87-H102 AromaticContact CG-CE1 3.87Å; F87-H102 AromaticContact CG-CG 3.53Å; F87-H102 AromaticContact CG-ND1 3.54Å; F87-H102 HydrophobicContact CZ-CB 3.99Å; F87-P103 HydrophobicContact CE1-CG 4.14Å; F87-P103 WeakPolarHBondContact CE1-O 3.38Å; F87-P103 WeakPolarHBondContact CZ-O 3.42Å |
| 88 | I | 81.1 | Confident | 74.9 | Confident | 114 Ų | 114 | 103.8 Ų | 103.8 | 59% | 0.585 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -30 | 171 | -62.9 | 170.5 | 0 | 0 | 0 | 111.2 | V83 C84 | V83-I88 HydrophobicContact CG1-CD1 3.78Å; V83-I88 HydrophobicContact CG1-CG1 3.98Å; C84-I88 PolarHBondContact O-N 3.23Å; C84-I88 VanDerWaalsContact O-N 3.11Å |
| 89 | R | 79.3 | Confident | 76.8 | Confident | 148 Ų | 148 | 107.5 Ų | 107.5 | 56% | 0.558 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 9.2 | 176.3 | -61.5 | -173.7 | -169.2 | 99.5 | -7.6 | 114.3 | R85 F87 V91 | R85-R89 PolarHBondContact O-NH1 3.42Å; F87-R89 PolarHBondContact O-N 3.03Å; F87-R89 VanDerWaalsContact O-N 3.11Å; R89-V91 HydrophobicContact CB-CG2 4.19Å; R89-V91 PolarHBondContact O-N 3.03Å; R89-V91 VanDerWaalsContact O-N 3.11Å |
| 90 | N | 70.3 | Confident | 78.7 | Confident | 128 Ų | 128 | 107.2 Ų | 107.2 | 68% | 0.684 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 17.8 | -177.5 | -61 | -41.7 | 0 | 0 | 0 | 116 | D86 F87 | D86-N90 PolarHBondContact O-N 3.42Å; F87-N90 WeakPolarHBondContact O-CA 3.45Å; F87-N90 PolarHBondContact O-N 3.27Å |
| 91 | V | 83.5 | Confident | 80.2 | Confident | 96 Ų | 96 | 108.5 Ų | 108.5 | 58% | 0.582 | 50% | 0.503 | S | S | * | . | trans | -99.8 | -9.2 | 179.2 | -64.3 | 0 | 0 | 0 | 0 | 113.8 | D86 R89 K93 | D86-V91 HydrophobicContact CB-CG2 4.04Å; D86-V91 VanDerWaalsContact O-CG2 3.27Å; D86-V91 WeakPolarHBondContact O-CG2 3.47Å; D86-V91 PolarHBondContact O-N 2.87Å; R89-V91 HydrophobicContact CB-CG2 4.19Å; R89-V91 PolarHBondContact O-N 3.03Å; R89-V91 VanDerWaalsContact O-N 3.11Å; V91-K93 PolarHBondContact O-N 3.48Å | ||
| 92 | C | 84.5 | Confident | 81.4 | Confident | 18 Ų | 18 | 102.7 Ų | 102.7 | 12% | 0.122 | 47% | 0.471 | C | S | . | . | trans | -74.5 | 90.8 | -178.3 | -162.7 | 0 | 0 | 0 | 0 | 113.9 | C84 D86 F87 R94 H102 | C84-C92 VanDerWaalsContact SG-SG 3.64Å; D86-C92 HydrophobicContact CB-CB 3.65Å; D86-C92 PolarHBondContact O-N 3.01Å; D86-C92 VanDerWaalsContact O-N 3.07Å; F87-C92 HydrophobicContact CB-CB 3.93Å; C92-R94 PolarHBondContact O-N 2.84Å; C92-H102 PolarHBondContact SG-CE1 3.32Å; C92-H102 PolarHBondContact SG-NE2 3.32Å | ||
| 93 | K | 84.6 | Confident | 81.3 | Confident | 213 Ų | 213 | 103.1 Ų | 103.1 | 93% | 0.926 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -1.1 | 173.7 | -58.8 | -176.3 | -177.9 | -179.4 | 0 | 114.9 | V91 | V91-K93 PolarHBondContact O-N 3.48Š|
| 94 | R | 83.6 | Confident | 80.2 | Confident | 121 Ų | 121 | 104.8 Ų | 104.8 | 46% | 0.457 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -20 | -175.6 | -60.3 | -178.2 | -99.1 | -152.7 | -3.6 | 113.8 | D86 C92 R97 C98 | D86-R94 IonicContact OD2-CZ 3.61Å; D86-R94 IonicContact OD2-NH2 3.85Å; D86-R94 PolarHBondContact OD2-NH2 3.25Å; C92-R94 PolarHBondContact O-N 2.84Å; R94-R97 PolarHBondContact O-N 2.85Å; R94-C98 HydrophobicContact CB-CB 3.92Å |
| 95 | G | 75.5 | Confident | 78.7 | Confident | 33 Ų | 33 | 113 Ų | 113 | 34% | 0.34 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | 54.2 | -146.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R97 C98 H102 | G95-R97 PolarHBondContact O-N 3.28Å; G95-C98 WeakPolarHBondContact O-CB 3.28Å; G95-C98 PolarHBondContact O-N 2.91Å; G95-C98 VanDerWaalsContact O-N 3.13Å; G95-H102 PolarHBondContact O-CE1 3.48Å; G95-H102 VanDerWaalsContact O-CE1 3.25Å; G95-H102 PolarHBondContact O-ND1 2.87Å |
| 96 | K | 76.7 | Confident | 77.1 | Confident | 164 Ų | 164 | 112 Ų | 112 | 71% | 0.713 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -66.5 | 1.8 | 179.3 | -53 | -157.6 | -178.2 | -152.5 | 0 | 114.9 | D104 | K96-D104 VanDerWaalsContact CE-OD1 3.31Å; K96-D104 WeakPolarHBondContact CE-OD1 3.36Å; K96-D104 IonicContact NZ-OD1 3.33Å; K96-D104 PolarHBondContact NZ-OD1 3.05Å; K96-D104 IonicContact NZ-OD2 3.02Å; K96-D104 PolarHBondContact NZ-OD2 3.41Å |
| 97 | R | 77.2 | Confident | 75.4 | Confident | 232 Ų | 232 | 116.8 Ų | 116.8 | 88% | 0.875 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -99.5 | 14.4 | 172.7 | -59.7 | -176.1 | -65 | -174.7 | -1.3 | 113.1 | R94 G95 | R94-R97 PolarHBondContact O-N 2.85Å; G95-R97 PolarHBondContact O-N 3.28Å |
| 98 | C | 86.1 | Confident | 73.8 | Confident | 21 Ų | 21 | 118.8 Ų | 118.8 | 14% | 0.142 | 55% | 0.554 | C | S | . | * | trans | -75.1 | 144.6 | 175.6 | -165.2 | 0 | 0 | 0 | 0 | 111.7 | C84 R94 G95 F100 H102 | C84-C98 PolarHBondContact SG-SG 3.26Å; R94-C98 HydrophobicContact CB-CB 3.92Å; G95-C98 WeakPolarHBondContact O-CB 3.28Å; G95-C98 PolarHBondContact O-N 2.91Å; G95-C98 VanDerWaalsContact O-N 3.13Å; C98-F100 WeakPolarHBondContact CB-O 3.49Å; C98-F100 PolarHBondContact O-N 3.12Å; C98-H102 WeakPolarHBondContact CB-NE2 3.35Å; C98-H102 PolarHBondContact SG-NE2 3.4Å | ||
| 99 | R | 84.9 | Confident | 72.2 | Confident | 229 Ų | 229 | 117.6 Ų | 117.6 | 86% | 0.864 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -64.2 | -22.3 | 173.8 | 179.5 | 174.2 | 175.9 | -179.3 | -0.8 | 113.2 | ||
| 100 | F | 84.6 | Confident | 70.5 | Confident | 100 Ų | 100 | 117.3 Ų | 117.3 | 44% | 0.439 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -111.9 | 144.5 | 179 | -56.2 | -82.9 | 0 | 0 | 0 | 109.1 | C84 C98 H102 | C84-F100 HydrophobicContact CB-CB 3.71Å; C98-F100 WeakPolarHBondContact CB-O 3.49Å; C98-F100 PolarHBondContact O-N 3.12Å; F100-H102 PolarHBondContact O-CD2 3.49Å; F100-H102 PolarHBondContact O-N 2.88Å |
| 101 | K | 82.8 | Confident | 69.2 | Low | 162 Ų | 162 | 118.5 Ų | 118.5 | 70% | 0.704 | 57% | 0.569 | S | S | * | * | B | Isolated β-bridge | trans | -58.1 | 135.9 | -175.1 | -65.3 | -175.3 | 177.4 | -176.4 | 0 | 111.2 | G82 V83 C84 | G82-K101 WeakPolarHBondContact O-CB 3.36Å; G82-K101 PolarHBondContact O-N 3.48Å; V83-K101 CarbonylContact C-O 3.58Å; V83-K101 WeakPolarHBondContact CA-O 3.31Å; C84-K101 PolarHBondContact N-O 3.34Å |
| 102 | H | 83.2 | Confident | 67.1 | Low | 30 Ų | 30 | 117.5 Ų | 117.5 | 14% | 0.139 | 58% | 0.578 | C | S | . | * | trans | -104.6 | 105.1 | 164.5 | -72.2 | -157.3 | 0 | 0 | 0 | 106.1 | C84 F87 C92 G95 C98 F100 D104 | C84-H102 VanDerWaalsContact CB-CD2 3.42Å; C84-H102 WeakPolarHBondContact CB-CD2 3.3Å; F87-H102 HydrophobicContact CD1-CB 3.91Å; F87-H102 AromaticContact CD1-CG 3.98Å; F87-H102 HydrophobicContact CD2-CB 4.07Å; F87-H102 AromaticContact CD2-CE1 3.54Å; F87-H102 AromaticContact CD2-CG 3.57Å; F87-H102 AromaticContact CD2-ND1 3.1Å; F87-H102 WeakPolarHBondContact CD2-ND1 3.34Å; F87-H102 HydrophobicContact CE1-CB 3.93Å; F87-H102 HydrophobicContact CE2-CB 4.07Å; F87-H102 AromaticContact CE2-ND1 3.56Å; F87-H102 HydrophobicContact CG-CB 3.97Å; F87-H102 AromaticContact CG-CD2 3.86Å; F87-H102 AromaticContact CG-CE1 3.87Å; F87-H102 AromaticContact CG-CG 3.53Å; F87-H102 AromaticContact CG-ND1 3.54Å; F87-H102 HydrophobicContact CZ-CB 3.99Å; C92-H102 PolarHBondContact SG-CE1 3.32Å; C92-H102 PolarHBondContact SG-NE2 3.32Å; G95-H102 PolarHBondContact O-CE1 3.48Å; G95-H102 VanDerWaalsContact O-CE1 3.25Å; G95-H102 PolarHBondContact O-ND1 2.87Å; C98-H102 WeakPolarHBondContact CB-NE2 3.35Å; C98-H102 PolarHBondContact SG-NE2 3.4Å; F100-H102 PolarHBondContact O-CD2 3.49Å; F100-H102 PolarHBondContact O-N 2.88Å; H102-D104 PolarHBondContact O-N 3.16Å | ||
| 103 | P | 72.9 | Confident | 64.9 | Low | 45 Ų | 45 | 122.3 Ų | 122.3 | 29% | 0.292 | 61% | 0.607 | S | S | . | * | trans | -61.6 | 123.4 | 170.2 | 24.2 | -32.1 | 0 | 0 | 0 | 108.6 | V83 F87 V108 | V83-P103 HydrophobicContact CG1-CG 4.19Å; F87-P103 HydrophobicContact CE1-CG 4.14Å; F87-P103 WeakPolarHBondContact CE1-O 3.38Å; F87-P103 WeakPolarHBondContact CZ-O 3.42Å; P103-V108 HydrophobicContact CB-CG2 3.77Å; P103-V108 HydrophobicContact CG-CG2 4.5Å | ||
| 104 | D | 59.6 | Low | 63 | Low | 73 Ų | 73 | 119.3 Ų | 119.3 | 39% | 0.39 | 60% | 0.596 | S | S | . | * | trans | -63.4 | 141.2 | 171.3 | -77.3 | -63.6 | 0 | 0 | 0 | 108.7 | K96 H102 N106 E107 | K96-D104 VanDerWaalsContact CE-OD1 3.31Å; K96-D104 WeakPolarHBondContact CE-OD1 3.36Å; K96-D104 IonicContact NZ-OD1 3.33Å; K96-D104 PolarHBondContact NZ-OD1 3.05Å; K96-D104 IonicContact NZ-OD2 3.02Å; K96-D104 PolarHBondContact NZ-OD2 3.41Å; H102-D104 PolarHBondContact O-N 3.16Å; D104-N106 PolarHBondContact O-N 2.75Å; D104-E107 PolarHBondContact O-N 3Å | ||
| 105 | F | 50.7 | Low | 61.1 | Low | 175 Ų | 175 | 121 Ų | 121 | 77% | 0.768 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -4.3 | -167.4 | -117.3 | -90 | 0 | 0 | 0 | 115.5 | ||
| 106 | N | 51.6 | Low | 60 | Low | 151 Ų | 151 | 123.8 Ų | 123.8 | 81% | 0.807 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | -10.8 | 177.3 | -65.5 | 2.7 | 0 | 0 | 0 | 113.3 | D104 | D104-N106 PolarHBondContact O-N 2.75Š|
| 107 | E | 47.8 | Very low | 59.4 | Low | 156 Ų | 156 | 124.1 Ų | 124.1 | 73% | 0.729 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -109.1 | 30.9 | -173.6 | -67.7 | -171.9 | 176.4 | 0 | 0 | 113.3 | D104 | D104-E107 PolarHBondContact O-N 3Š|
| 108 | V | 49.8 | Very low | 58.9 | Low | 86 Ų | 86 | 115.8 Ų | 115.8 | 52% | 0.521 | 59% | 0.588 | S | S | . | * | trans | -133.8 | 92.4 | 162.2 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | P103 | P103-V108 HydrophobicContact CB-CG2 3.77Å; P103-V108 HydrophobicContact CG-CG2 4.5Å | ||
| 109 | P | 47.3 | Very low | 58.6 | Low | 88 Ų | 88 | 120 Ų | 120 | 57% | 0.571 | 61% | 0.608 | S | S | * | * | trans | -132.8 | 20.2 | 164.7 | 39.1 | -24.7 | 0 | 0 | 0 | 115.6 | Q114 | P109-Q114 PolarHBondContact O-NE2 3.27Š| ||
| 110 | D | 43.5 | Very low | 58.5 | Low | 143 Ų | 143 | 109.4 Ų | 109.4 | 77% | 0.765 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -135.8 | 31.4 | -179.8 | -149.7 | 26.7 | 0 | 0 | 0 | 116.3 | ||
| 111 | L | 43.8 | Very low | 58.5 | Low | 153 Ų | 153 | 104.7 Ų | 104.7 | 80% | 0.801 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -130.9 | 78.8 | 165.9 | -72.7 | 176.9 | 0 | 0 | 0 | 110.6 | V113 | L111-V113 PolarHBondContact O-N 3.35Š|
| 112 | G | 37.6 | Very low | 58.5 | Low | 75 Ų | 75 | 102.4 Ų | 102.4 | 77% | 0.773 | 54% | 0.539 | S | S | * | . | S | Bend | trans | 74.3 | -20.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | Q114 | G112-Q114 PolarHBondContact O-N 3.04Š|
| 113 | V | 39.7 | Very low | 58.5 | Low | 119 Ų | 119 | 104.6 Ų | 104.6 | 72% | 0.721 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 58.7 | -175.9 | -162.1 | 0 | 0 | 0 | 0 | 112.6 | L111 | L111-V113 PolarHBondContact O-N 3.35Š|
| 114 | Q | 44.5 | Very low | 59 | Low | 149 Ų | 149 | 106 Ų | 106 | 70% | 0.696 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.8 | 5.4 | 173.2 | -66.1 | -166.5 | 21.6 | 0 | 0 | 114.3 | P109 G112 | P109-Q114 PolarHBondContact O-NE2 3.27Å; G112-Q114 PolarHBondContact O-N 3.04Å |
| 115 | K | 43.7 | Very low | 60.1 | Low | 158 Ų | 158 | 105.2 Ų | 105.2 | 69% | 0.687 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -134.6 | -8.1 | -175.9 | -67.4 | -165.7 | 175.8 | -171.7 | 0 | 117.7 | Y147 | K115-Y147 PolarHBondContact O-OH 2.85Š|
| 116 | N | 52.3 | Low | 61.5 | Low | 91 Ų | 91 | 102.5 Ų | 102.5 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | trans | -137.1 | 69.6 | -167.8 | -63.5 | 89 | 0 | 0 | 0 | 113.4 | ||||
| 117 | E | 63.9 | Low | 62.3 | Low | 170 Ų | 170 | 104.5 Ų | 104.5 | 79% | 0.794 | 54% | 0.541 | S | S | * | . | trans | -84.3 | -27.8 | 173.1 | -170 | 170.4 | -164.2 | 0 | 0 | 112.5 | I119 Y147 | E117-I119 PolarHBondContact O-N 3.07Å; E117-Y147 PolarHBondContact N-OH 3.17Å | ||
| 118 | F | 66.6 | Low | 63.3 | Low | 58 Ų | 58 | 103 Ų | 103 | 25% | 0.254 | 54% | 0.538 | S | S | . | . | trans | -83.6 | 107.8 | 179.9 | -63.3 | -61.3 | 0 | 0 | 0 | 112.3 | F120 V137 Y147 L153 V161 | F118-F120 HydrophobicContact CB-CE2 4.3Å; F118-F120 WeakPolarHBondContact O-CD2 3.43Å; F118-V137 HydrophobicContact CB-CG2 4.13Å; F118-V137 HydrophobicContact CD1-CG2 4.16Å; F118-V137 HydrophobicContact CG-CG2 4.49Å; F118-Y147 HydrophobicContact CB-CD1 4.48Å; F118-Y147 HydrophobicContact CB-CE1 3.83Å; F118-Y147 HydrophobicContact CD2-CE1 4.44Å; F118-Y147 AromaticContact CD2-CE2 3.82Å; F118-Y147 HydrophobicContact CD2-CE2 3.82Å; F118-Y147 AromaticContact CD2-CZ 3.69Å; F118-Y147 WeakPolarHBondContact CD2-OH 2.95Å; F118-Y147 PolarHBondContact N-OH 3.36Å; F118-L153 HydrophobicContact CD1-CD1 4.07Å; F118-L153 HydrophobicContact CD2-CD1 3.48Å; F118-L153 VanDerWaalsContact CD2-CD1 3.48Å; F118-L153 HydrophobicContact CD2-CD2 4.3Å; F118-L153 HydrophobicContact CD2-CG 3.67Å; F118-L153 HydrophobicContact CE1-CD1 4.12Å; F118-L153 HydrophobicContact CE2-CD1 3.54Å; F118-L153 HydrophobicContact CE2-CG 3.99Å; F118-L153 HydrophobicContact CG-CD1 3.77Å; F118-L153 HydrophobicContact CG-CD2 4.47Å; F118-L153 HydrophobicContact CG-CG 4.21Å; F118-L153 HydrophobicContact CZ-CD1 3.87Å; F118-V161 HydrophobicContact CD1-CG1 4.49Å; F118-V161 HydrophobicContact CE1-CG1 3.77Å; F118-V161 HydrophobicContact CZ-CG1 4.37Å | ||
| 119 | I | 79.6 | Confident | 65 | Low | 109 Ų | 109 | 99.7 Ų | 99.7 | 56% | 0.559 | 52% | 0.518 | S | S | * | . | trans | -88.9 | 122.6 | 173.1 | -54.8 | 171.8 | 0 | 0 | 0 | 109.1 | E117 F136 V137 | E117-I119 PolarHBondContact O-N 3.07Å; I119-F136 HydrophobicContact CB-CD1 3.95Å; I119-F136 HydrophobicContact CB-CE1 4.35Å; I119-F136 HydrophobicContact CG2-CD1 3.58Å; I119-F136 HydrophobicContact CG2-CE1 3.81Å; I119-V137 PolarHBondContact O-N 2.86Å | ||
| 120 | F | 82.6 | Confident | 66.5 | Low | 7 Ų | 7 | 104.6 Ų | 104.6 | 3% | 0.031 | 54% | 0.536 | C | S | . | . | B | Isolated β-bridge | trans | -83.7 | 156.4 | -178.1 | -76.8 | -110.8 | 0 | 0 | 0 | 112.2 | F118 H122 V137 D143 E144 Y147 L153 L157 | F118-F120 HydrophobicContact CB-CE2 4.3Å; F118-F120 WeakPolarHBondContact O-CD2 3.43Å; F120-H122 PolarHBondContact O-N 2.92Å; F120-V137 HydrophobicContact CD1-CB 4.3Å; F120-V137 HydrophobicContact CD1-CG1 4.26Å; F120-V137 HydrophobicContact CE1-CG1 4.07Å; F120-V137 HydrophobicContact CG-CB 4.34Å; F120-V137 HydrophobicContact CZ-CG1 4.37Å; F120-D143 HydrophobicContact CE1-CB 4.04Å; F120-E144 HydrophobicContact CB-CB 4.3Å; F120-E144 HydrophobicContact CB-CG 4.05Å; F120-E144 WeakPolarHBondContact CB-OE2 3.35Å; F120-E144 HydrophobicContact CD1-CB 3.68Å; F120-E144 HydrophobicContact CD1-CG 4.19Å; F120-E144 HydrophobicContact CD2-CB 4.03Å; F120-E144 HydrophobicContact CD2-CG 3.64Å; F120-E144 HydrophobicContact CE1-CB 3.92Å; F120-E144 HydrophobicContact CE2-CB 4.27Å; F120-E144 HydrophobicContact CE2-CG 4.11Å; F120-E144 HydrophobicContact CG-CB 3.73Å; F120-E144 HydrophobicContact CG-CG 3.69Å; F120-E144 HydrophobicContact CZ-CB 4.21Å; F120-Y147 AromaticContact CE2-CD1 3.62Å; F120-Y147 HydrophobicContact CE2-CD1 3.62Å; F120-Y147 HydrophobicContact CE2-CE1 4.37Å; F120-Y147 HydrophobicContact CE2-CG 4.07Å; F120-Y147 HydrophobicContact CZ-CD1 4.34Å; F120-Y147 HydrophobicContact CZ-CG 4.35Å; F120-L153 HydrophobicContact CE2-CD2 4.33Å; F120-L153 HydrophobicContact CZ-CD2 3.78Å; F120-L157 HydrophobicContact CE1-CD1 3.84Å; F120-L157 HydrophobicContact CZ-CD1 4.31Å |
| 121 | C | 84.9 | Confident | 68.2 | Low | 1 Ų | 1 | 104.1 Ų | 104.1 | 1% | 0.007 | 52% | 0.523 | C | S | . | . | trans | -89.7 | 99.7 | -174.6 | -169.9 | 0 | 0 | 0 | 0 | 111.3 | D123 Y124 Q125 F136 V137 | C121-D123 PolarHBondContact O-N 2.93Å; C121-Y124 WeakPolarHBondContact O-CB 3.3Å; C121-Y124 PolarHBondContact O-N 3.25Å; C121-Q125 PolarHBondContact O-N 2.97Å; C121-Q125 VanDerWaalsContact O-N 3.07Å; C121-F136 HydrophobicContact CB-CB 3.62Å; C121-V137 WeakPolarHBondContact CB-O 3.34Å; C121-V137 PolarHBondContact N-O 2.59Å | ||
| 122 | H | 83.1 | Confident | 69.3 | Low | 114 Ų | 114 | 101.6 Ų | 101.6 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.5 | -36 | 176.2 | -67.1 | -165.3 | 0 | 0 | 0 | 112.2 | F120 Y124 Q125 N126 | F120-H122 PolarHBondContact O-N 2.92Å; H122-Y124 VanDerWaalsContact C-N 3.3Å; H122-Y124 PolarHBondContact O-N 2.83Å; H122-Q125 PolarHBondContact O-N 3.37Å; H122-N126 WeakPolarHBondContact O-CB 3.09Å; H122-N126 PolarHBondContact O-N 3.48Å; H122-N126 PolarHBondContact O-ND2 3.02Å |
| 123 | D | 83.5 | Confident | 70.7 | Confident | 75 Ų | 75 | 104.4 Ų | 104.4 | 40% | 0.401 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 176.4 | -58.5 | -0 | 0 | 0 | 0 | 111.2 | C121 N126 K127 C129 R131 | C121-D123 PolarHBondContact O-N 2.93Å; D123-N126 PolarHBondContact O-N 3.23Å; D123-K127 PolarHBondContact O-N 3Å; D123-C129 HydrophobicContact CB-CB 4.06Å; D123-R131 IonicContact OD2-CZ 3.3Å; D123-R131 VanDerWaalsContact OD2-CZ 3.3Å; D123-R131 IonicContact OD2-NH1 2.67Å; D123-R131 PolarHBondContact OD2-NH1 3.37Å; D123-R131 IonicContact OD2-NH2 3Å; D123-R131 PolarHBondContact OD2-NH2 3.4Å |
| 124 | Y | 83.2 | Confident | 72.5 | Confident | 76 Ų | 76 | 99.1 Ų | 99.1 | 30% | 0.298 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.6 | -42 | 178.3 | -179.8 | -98.5 | 0 | 0 | 0 | 111.8 | C121 H122 N126 C129 H138 G139 | C121-Y124 WeakPolarHBondContact O-CB 3.3Å; C121-Y124 PolarHBondContact O-N 3.25Å; H122-Y124 VanDerWaalsContact C-N 3.3Å; H122-Y124 PolarHBondContact O-N 2.83Å; Y124-N126 VanDerWaalsContact C-N 3.27Å; Y124-N126 PolarHBondContact O-N 2.79Å; Y124-C129 HydrophobicContact CD2-CB 4.36Å; Y124-H138 HydrophobicContact CD1-CB 3.96Å; Y124-H138 HydrophobicContact CD2-CB 3.83Å; Y124-H138 AromaticContact CD2-CE1 3.95Å; Y124-H138 AromaticContact CD2-CG 3.58Å; Y124-H138 AromaticContact CD2-ND1 3.3Å; Y124-H138 VanDerWaalsContact CD2-ND1 3.3Å; Y124-H138 WeakPolarHBondContact CD2-ND1 3.21Å; Y124-H138 HydrophobicContact CE1-CB 4.06Å; Y124-H138 HydrophobicContact CE2-CB 3.92Å; Y124-H138 AromaticContact CE2-ND1 3.74Å; Y124-H138 HydrophobicContact CG-CB 3.84Å; Y124-H138 AromaticContact CG-CG 3.74Å; Y124-H138 AromaticContact CG-ND1 3.94Å; Y124-G139 WeakPolarHBondContact CD1-O 3.41Å |
| 125 | Q | 82.8 | Confident | 74 | Confident | 55 Ų | 55 | 103 Ų | 103 | 26% | 0.257 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.7 | -26.6 | 177.5 | -70.4 | 171.9 | -15.1 | 0 | 0 | 113.4 | C121 H122 S140 E144 | C121-Q125 PolarHBondContact O-N 2.97Å; C121-Q125 VanDerWaalsContact O-N 3.07Å; H122-Q125 PolarHBondContact O-N 3.37Å; Q125-S140 PolarHBondContact NE2-O 2.96Å; Q125-E144 PolarHBondContact NE2-OE2 3.08Å |
| 126 | N | 80.8 | Confident | 75.7 | Confident | 118 Ų | 118 | 99.7 Ų | 99.7 | 63% | 0.631 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -91.7 | -41.2 | -172.6 | -78.8 | -42.1 | 0 | 0 | 0 | 114.7 | H122 D123 Y124 | H122-N126 WeakPolarHBondContact O-CB 3.09Å; H122-N126 PolarHBondContact O-N 3.48Å; H122-N126 PolarHBondContact O-ND2 3.02Å; D123-N126 PolarHBondContact O-N 3.23Å; Y124-N126 VanDerWaalsContact C-N 3.27Å; Y124-N126 PolarHBondContact O-N 2.79Å |
| 127 | K | 67.1 | Low | 77.2 | Confident | 193 Ų | 193 | 96.1 Ų | 96.1 | 84% | 0.839 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -173.5 | 51.3 | 178.2 | -121.2 | 152.5 | -73.1 | -172.1 | 0 | 114.2 | D123 | D123-K127 PolarHBondContact O-N 3Å |
| 128 | D | 70.1 | Confident | 78.2 | Confident | 126 Ų | 126 | 89.8 Ų | 89.8 | 67% | 0.674 | 43% | 0.43 | S | S | * | . | trans | 65.4 | 132.9 | -175 | -70.9 | -55.9 | 0 | 0 | 0 | 116.3 | ||||
| 129 | C | 83.9 | Confident | 78.9 | Confident | 16 Ų | 16 | 87 Ų | 87 | 11% | 0.108 | 42% | 0.418 | C | S | . | . | trans | -100.8 | 103.8 | 176 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | D123 Y124 R131 H138 | D123-C129 HydrophobicContact CB-CB 4.06Å; Y124-C129 HydrophobicContact CD2-CB 4.36Å; C129-R131 PolarHBondContact O-N 3.43Å; C129-H138 VanDerWaalsContact CB-CE1 3.48Å; C129-H138 WeakPolarHBondContact CB-CE1 3.35Å; C129-H138 PolarHBondContact SG-NE2 2.67Å; C129-H138 VanDerWaalsContact SG-NE2 3.36Å | ||
| 130 | M | 78.9 | Confident | 79 | Confident | 190 Ų | 190 | 83.8 Ų | 83.8 | 94% | 0.936 | 41% | 0.405 | S | S | * | . | trans | -66.3 | -0.6 | 178.8 | -58.9 | -171.8 | -69 | 0 | 0 | 114.8 | S132 | M130-S132 PolarHBondContact O-N 3.36Å; M130-S132 VanDerWaalsContact O-N 3.08Å | ||
| 131 | R | 80.7 | Confident | 79 | Confident | 134 Ų | 134 | 89.4 Ų | 89.4 | 51% | 0.506 | 43% | 0.429 | S | S | . | . | trans | -77.9 | 98.7 | 179.9 | -60.8 | -166.9 | -161.7 | 83.8 | 1.4 | 110.7 | D123 C129 N133 C134 | D123-R131 IonicContact OD2-CZ 3.3Å; D123-R131 VanDerWaalsContact OD2-CZ 3.3Å; D123-R131 IonicContact OD2-NH1 2.67Å; D123-R131 PolarHBondContact OD2-NH1 3.37Å; D123-R131 IonicContact OD2-NH2 3Å; D123-R131 PolarHBondContact OD2-NH2 3.4Å; C129-R131 PolarHBondContact O-N 3.43Å; R131-N133 PolarHBondContact O-N 3.41Å; R131-C134 HydrophobicContact CB-CB 3.94Å; R131-C134 PolarHBondContact O-N 3.21Å | ||
| 132 | S | 65.4 | Low | 78.8 | Confident | 99 Ų | 99 | 95.7 Ų | 95.7 | 69% | 0.692 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | -30 | 173.1 | 59.1 | 0 | 0 | 0 | 0 | 113.9 | M130 R164 | M130-S132 PolarHBondContact O-N 3.36Å; M130-S132 VanDerWaalsContact O-N 3.08Å; S132-R164 VanDerWaalsContact O-CZ 3.28Å; S132-R164 PolarHBondContact O-NH1 2.74Å; S132-R164 PolarHBondContact O-NH2 3.04Å |
| 133 | N | 67.8 | Low | 78.7 | Confident | 135 Ų | 135 | 92.4 Ų | 92.4 | 72% | 0.722 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.9 | 55.4 | 171.3 | -73.5 | -35.4 | 0 | 0 | 0 | 112.5 | R131 R164 | R131-N133 PolarHBondContact O-N 3.41Å; N133-R164 PolarHBondContact OD1-NH1 2.88Å |
| 134 | C | 77.4 | Confident | 78.7 | Confident | 8 Ų | 8 | 90.2 Ų | 90.2 | 5% | 0.054 | 43% | 0.432 | C | S | . | . | trans | -59.7 | 139.9 | 172.2 | -164.6 | 0 | 0 | 0 | 0 | 112.3 | R131 H138 | R131-C134 HydrophobicContact CB-CB 3.94Å; R131-C134 PolarHBondContact O-N 3.21Å; C134-H138 WeakPolarHBondContact CB-NE2 3.49Å; C134-H138 PolarHBondContact SG-NE2 3.2Å; C134-H138 VanDerWaalsContact SG-NE2 3.43Å | ||
| 135 | R | 74.9 | Confident | 78.3 | Confident | 229 Ų | 229 | 89 Ų | 89 | 86% | 0.864 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -77.2 | -18.8 | 175.8 | 177.7 | 171.7 | 170.7 | 76.8 | 5.6 | 113.4 | ||
| 136 | F | 81.1 | Confident | 78 | Confident | 89 Ų | 89 | 92.2 Ų | 92.2 | 39% | 0.39 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -104.1 | 154.5 | -174.4 | -56.9 | -69.1 | 0 | 0 | 0 | 111.5 | I119 C121 H138 | I119-F136 HydrophobicContact CB-CD1 3.95Å; I119-F136 HydrophobicContact CB-CE1 4.35Å; I119-F136 HydrophobicContact CG2-CD1 3.58Å; I119-F136 HydrophobicContact CG2-CE1 3.81Å; C121-F136 HydrophobicContact CB-CB 3.62Å; F136-H138 PolarHBondContact O-CD2 3.11Å; F136-H138 PolarHBondContact O-N 3.15Å |
| 137 | V | 83.6 | Confident | 77.8 | Confident | 17 Ų | 17 | 87.1 Ų | 87.1 | 10% | 0.103 | 41% | 0.413 | C | S | . | . | B | Isolated β-bridge | trans | -71.1 | 121.5 | -176.7 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | F118 I119 F120 C121 G139 L157 V161 | F118-V137 HydrophobicContact CB-CG2 4.13Å; F118-V137 HydrophobicContact CD1-CG2 4.16Å; F118-V137 HydrophobicContact CG-CG2 4.49Å; I119-V137 PolarHBondContact O-N 2.86Å; F120-V137 HydrophobicContact CD1-CB 4.3Å; F120-V137 HydrophobicContact CD1-CG1 4.26Å; F120-V137 HydrophobicContact CE1-CG1 4.07Å; F120-V137 HydrophobicContact CG-CB 4.34Å; F120-V137 HydrophobicContact CZ-CG1 4.37Å; C121-V137 WeakPolarHBondContact CB-O 3.34Å; C121-V137 PolarHBondContact N-O 2.59Å; V137-G139 PolarHBondContact O-N 2.88Å; V137-G139 VanDerWaalsContact O-N 3.15Å; V137-L157 HydrophobicContact CG1-CD1 4.17Å; V137-V161 HydrophobicContact CG1-CG2 4.32Å; V137-V161 HydrophobicContact CG2-CG2 4.05Å |
| 138 | H | 84.9 | Confident | 78.2 | Confident | 36 Ų | 36 | 83 Ų | 83 | 17% | 0.167 | 40% | 0.395 | C | S | . | . | trans | -82.7 | 82.1 | 171.9 | -72.7 | -156.8 | 0 | 0 | 0 | 109.6 | Y124 C129 C134 F136 L157 | Y124-H138 HydrophobicContact CD1-CB 3.96Å; Y124-H138 HydrophobicContact CD2-CB 3.83Å; Y124-H138 AromaticContact CD2-CE1 3.95Å; Y124-H138 AromaticContact CD2-CG 3.58Å; Y124-H138 AromaticContact CD2-ND1 3.3Å; Y124-H138 VanDerWaalsContact CD2-ND1 3.3Å; Y124-H138 WeakPolarHBondContact CD2-ND1 3.21Å; Y124-H138 HydrophobicContact CE1-CB 4.06Å; Y124-H138 HydrophobicContact CE2-CB 3.92Å; Y124-H138 AromaticContact CE2-ND1 3.74Å; Y124-H138 HydrophobicContact CG-CB 3.84Å; Y124-H138 AromaticContact CG-CG 3.74Å; Y124-H138 AromaticContact CG-ND1 3.94Å; C129-H138 VanDerWaalsContact CB-CE1 3.48Å; C129-H138 WeakPolarHBondContact CB-CE1 3.35Å; C129-H138 PolarHBondContact SG-NE2 2.67Å; C129-H138 VanDerWaalsContact SG-NE2 3.36Å; C134-H138 WeakPolarHBondContact CB-NE2 3.49Å; C134-H138 PolarHBondContact SG-NE2 3.2Å; C134-H138 VanDerWaalsContact SG-NE2 3.43Å; F136-H138 PolarHBondContact O-CD2 3.11Å; F136-H138 PolarHBondContact O-N 3.15Å; H138-L157 WeakPolarHBondContact O-CD2 3.49Å | ||
| 139 | G | 79.9 | Confident | 78.2 | Confident | 1 Ų | 1 | 85.2 Ų | 85.2 | 1% | 0.01 | 40% | 0.399 | C | S | . | . | trans | -123.2 | 164.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y124 V137 D143 | Y124-G139 WeakPolarHBondContact CD1-O 3.41Å; V137-G139 PolarHBondContact O-N 2.88Å; V137-G139 VanDerWaalsContact O-N 3.15Å; G139-D143 WeakPolarHBondContact CA-OD2 3.42Å | ||
| 140 | S | 82.4 | Confident | 77.5 | Confident | 40 Ų | 40 | 87 Ų | 87 | 28% | 0.28 | 41% | 0.412 | S | S | . | . | trans | -70.2 | 177 | 174.7 | 86.6 | 0 | 0 | 0 | 0 | 111.5 | Q125 E142 D143 E144 | Q125-S140 PolarHBondContact NE2-O 2.96Å; S140-E142 VanDerWaalsContact C-N 3.28Å; S140-E142 WeakPolarHBondContact CB-OE2 3.05Å; S140-E142 PolarHBondContact OG-N 3.43Å; S140-E142 PolarHBondContact OG-OE2 2.67Å; S140-D143 PolarHBondContact N-OD2 3.39Å; S140-D143 PolarHBondContact OG-N 2.97Å; S140-D143 VanDerWaalsContact OG-N 3.11Å; S140-E144 PolarHBondContact O-N 3.33Å | ||
| 141 | K | 83.4 | Confident | 76.9 | Confident | 126 Ų | 126 | 79.8 Ų | 79.8 | 55% | 0.548 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.5 | -33.4 | 173.8 | -171.3 | -178.6 | 177 | -175.2 | 0 | 111.1 | E144 D145 | K141-E144 PolarHBondContact O-N 2.88Å; K141-D145 WeakPolarHBondContact O-CB 3.07Å; K141-D145 PolarHBondContact O-N 2.82Å |
| 142 | E | 80.2 | Confident | 76.4 | Confident | 133 Ų | 133 | 78.9 Ų | 78.9 | 62% | 0.621 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -68.8 | -38.3 | 176.5 | -54 | 66.6 | -141.9 | 0 | 0 | 110.9 | S140 Y146 | S140-E142 VanDerWaalsContact C-N 3.28Å; S140-E142 WeakPolarHBondContact CB-OE2 3.05Å; S140-E142 PolarHBondContact OG-N 3.43Å; S140-E142 PolarHBondContact OG-OE2 2.67Å; E142-Y146 VanDerWaalsContact O-CB 3.23Å; E142-Y146 WeakPolarHBondContact O-CB 3.48Å; E142-Y146 PolarHBondContact O-N 3.07Å |
| 143 | D | 81.1 | Confident | 76.5 | Confident | 44 Ų | 44 | 74.5 Ų | 74.5 | 24% | 0.235 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 170.6 | -73.7 | -45.7 | 0 | 0 | 0 | 111.9 | F120 G139 S140 Y147 L157 | F120-D143 HydrophobicContact CE1-CB 4.04Å; G139-D143 WeakPolarHBondContact CA-OD2 3.42Å; S140-D143 PolarHBondContact N-OD2 3.39Å; S140-D143 PolarHBondContact OG-N 2.97Å; S140-D143 VanDerWaalsContact OG-N 3.11Å; D143-Y147 WeakPolarHBondContact O-CB 3.45Å; D143-Y147 PolarHBondContact O-N 2.75Å; D143-L157 HydrophobicContact CB-CD1 3.63Å |
| 144 | E | 82.1 | Confident | 76.5 | Confident | 29 Ų | 29 | 69.2 Ų | 69.2 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.5 | -47.3 | 177.7 | -174.4 | -173.7 | 149.4 | 0 | 0 | 111.3 | F120 Q125 S140 K141 Y146 Y147 K148 | F120-E144 HydrophobicContact CB-CB 4.3Å; F120-E144 HydrophobicContact CB-CG 4.05Å; F120-E144 WeakPolarHBondContact CB-OE2 3.35Å; F120-E144 HydrophobicContact CD1-CB 3.68Å; F120-E144 HydrophobicContact CD1-CG 4.19Å; F120-E144 HydrophobicContact CD2-CB 4.03Å; F120-E144 HydrophobicContact CD2-CG 3.64Å; F120-E144 HydrophobicContact CE1-CB 3.92Å; F120-E144 HydrophobicContact CE2-CB 4.27Å; F120-E144 HydrophobicContact CE2-CG 4.11Å; F120-E144 HydrophobicContact CG-CB 3.73Å; F120-E144 HydrophobicContact CG-CG 3.69Å; F120-E144 HydrophobicContact CZ-CB 4.21Å; Q125-E144 PolarHBondContact NE2-OE2 3.08Å; S140-E144 PolarHBondContact O-N 3.33Å; K141-E144 PolarHBondContact O-N 2.88Å; E144-Y146 VanDerWaalsContact C-N 3.26Å; E144-Y146 PolarHBondContact O-N 3.17Å; E144-Y147 PolarHBondContact O-N 2.87Å; E144-K148 WeakPolarHBondContact O-CG 3.3Å; E144-K148 PolarHBondContact O-N 3.41Å; E144-K148 WeakPolarHBondContact OE1-CE 3.36Å; E144-K148 IonicContact OE1-NZ 3.34Å; E144-K148 PolarHBondContact OE1-NZ 3.31Å |
| 145 | D | 76.4 | Confident | 75.9 | Confident | 50 Ų | 50 | 73.2 Ų | 73.2 | 27% | 0.267 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70.8 | -22.8 | 178.7 | -74.1 | -12.8 | 0 | 0 | 0 | 112.3 | K141 K148 K149 | K141-D145 WeakPolarHBondContact O-CB 3.07Å; K141-D145 PolarHBondContact O-N 2.82Å; D145-K148 WeakPolarHBondContact OD1-CD 3.37Å; D145-K148 IonicContact OD1-NZ 2.67Å; D145-K148 PolarHBondContact OD1-NZ 3.01Å; D145-K149 WeakPolarHBondContact O-CD 3.44Å; D145-K149 VanDerWaalsContact O-CE 3.23Å; D145-K149 WeakPolarHBondContact O-CE 3.39Å; D145-K149 WeakPolarHBondContact O-CG 3.41Å |
| 146 | Y | 76.5 | Confident | 75.5 | Confident | 124 Ų | 124 | 72.5 Ų | 72.5 | 49% | 0.486 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.9 | -52.9 | 164.3 | -179.5 | -92.4 | 0 | 0 | 0 | 110.6 | E142 E144 K148 K149 S150 E152 P154 | E142-Y146 VanDerWaalsContact O-CB 3.23Å; E142-Y146 WeakPolarHBondContact O-CB 3.48Å; E142-Y146 PolarHBondContact O-N 3.07Å; E144-Y146 VanDerWaalsContact C-N 3.26Å; E144-Y146 PolarHBondContact O-N 3.17Å; Y146-K148 VanDerWaalsContact C-N 3.3Å; Y146-K148 PolarHBondContact O-N 2.96Å; Y146-K149 WeakPolarHBondContact O-CA 3.44Å; Y146-K149 PolarHBondContact O-N 2.73Å; Y146-S150 WeakPolarHBondContact CD1-OG 3.39Å; Y146-S150 VanDerWaalsContact CE1-OG 3.28Å; Y146-S150 WeakPolarHBondContact CE1-OG 3.43Å; Y146-S150 PolarHBondContact O-N 3.41Å; Y146-S150 PolarHBondContact O-OG 3.34Å; Y146-E152 WeakPolarHBondContact CE1-O 3.32Å; Y146-P154 HydrophobicContact CD1-CG 3.88Å; Y146-P154 HydrophobicContact CE1-CG 4.22Å |
| 147 | Y | 75.3 | Confident | 74.8 | Confident | 11 Ų | 11 | 68.5 Ų | 68.5 | 4% | 0.043 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.2 | -40 | 179.2 | 173.7 | -112.4 | 0 | 0 | 0 | 112.7 | K115 E117 F118 F120 D143 E144 K149 G151 L153 | K115-Y147 PolarHBondContact O-OH 2.85Å; E117-Y147 PolarHBondContact N-OH 3.17Å; F118-Y147 HydrophobicContact CB-CD1 4.48Å; F118-Y147 HydrophobicContact CB-CE1 3.83Å; F118-Y147 HydrophobicContact CD2-CE1 4.44Å; F118-Y147 AromaticContact CD2-CE2 3.82Å; F118-Y147 HydrophobicContact CD2-CE2 3.82Å; F118-Y147 AromaticContact CD2-CZ 3.69Å; F118-Y147 WeakPolarHBondContact CD2-OH 2.95Å; F118-Y147 PolarHBondContact N-OH 3.36Å; F120-Y147 AromaticContact CE2-CD1 3.62Å; F120-Y147 HydrophobicContact CE2-CD1 3.62Å; F120-Y147 HydrophobicContact CE2-CE1 4.37Å; F120-Y147 HydrophobicContact CE2-CG 4.07Å; F120-Y147 HydrophobicContact CZ-CD1 4.34Å; F120-Y147 HydrophobicContact CZ-CG 4.35Å; D143-Y147 WeakPolarHBondContact O-CB 3.45Å; D143-Y147 PolarHBondContact O-N 2.75Å; E144-Y147 PolarHBondContact O-N 2.87Å; Y147-K149 PolarHBondContact O-N 2.96Å; Y147-G151 VanDerWaalsContact CE2-O 3.32Å; Y147-G151 WeakPolarHBondContact CE2-O 3.41Å; Y147-G151 VanDerWaalsContact O-CA 3.3Å; Y147-G151 WeakPolarHBondContact O-CA 3.24Å; Y147-G151 PolarHBondContact O-N 3.12Å; Y147-L153 HydrophobicContact CD2-CD2 4.2Å; Y147-L153 HydrophobicContact CD2-CG 4.28Å; Y147-L153 HydrophobicContact CG-CD2 4.35Å |
| 148 | K | 75.6 | Confident | 74.1 | Confident | 105 Ų | 105 | 71.3 Ų | 71.3 | 46% | 0.457 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.6 | -29.1 | 173.2 | -72.2 | 171.1 | -169.9 | 148.7 | 0 | 113.8 | E144 D145 Y146 | E144-K148 WeakPolarHBondContact O-CG 3.3Å; E144-K148 PolarHBondContact O-N 3.41Å; E144-K148 WeakPolarHBondContact OE1-CE 3.36Å; E144-K148 IonicContact OE1-NZ 3.34Å; E144-K148 PolarHBondContact OE1-NZ 3.31Å; D145-K148 WeakPolarHBondContact OD1-CD 3.37Å; D145-K148 IonicContact OD1-NZ 2.67Å; D145-K148 PolarHBondContact OD1-NZ 3.01Å; Y146-K148 VanDerWaalsContact C-N 3.3Å; Y146-K148 PolarHBondContact O-N 2.96Å |
| 149 | K | 69.8 | Low | 73 | Confident | 174 Ų | 174 | 70.8 Ų | 70.8 | 76% | 0.757 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -93.8 | -38.6 | -176.1 | -68.2 | 166.2 | -162.5 | 162.5 | 0 | 112.5 | D145 Y146 Y147 | D145-K149 WeakPolarHBondContact O-CD 3.44Å; D145-K149 VanDerWaalsContact O-CE 3.23Å; D145-K149 WeakPolarHBondContact O-CE 3.39Å; D145-K149 WeakPolarHBondContact O-CG 3.41Å; Y146-K149 WeakPolarHBondContact O-CA 3.44Å; Y146-K149 PolarHBondContact O-N 2.73Å; Y147-K149 PolarHBondContact O-N 2.96Å |
| 150 | S | 69.4 | Low | 72.2 | Confident | 54 Ų | 54 | 75.9 Ų | 75.9 | 38% | 0.378 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -93.9 | -29.7 | -177.6 | 64.4 | 0 | 0 | 0 | 0 | 113.9 | Y146 E152 | Y146-S150 WeakPolarHBondContact CD1-OG 3.39Å; Y146-S150 VanDerWaalsContact CE1-OG 3.28Å; Y146-S150 WeakPolarHBondContact CE1-OG 3.43Å; Y146-S150 PolarHBondContact O-N 3.41Å; Y146-S150 PolarHBondContact O-OG 3.34Å; S150-E152 PolarHBondContact O-N 2.87Å; S150-E152 PolarHBondContact OG-N 3.46Å; S150-E152 PolarHBondContact OG-O 2.93Å |
| 151 | G | 67.1 | Low | 71.3 | Confident | 38 Ų | 38 | 74.9 Ų | 74.9 | 39% | 0.392 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 75.6 | -2.3 | -164.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y147 | Y147-G151 VanDerWaalsContact CE2-O 3.32Å; Y147-G151 WeakPolarHBondContact CE2-O 3.41Å; Y147-G151 VanDerWaalsContact O-CA 3.3Å; Y147-G151 WeakPolarHBondContact O-CA 3.24Å; Y147-G151 PolarHBondContact O-N 3.12Å |
| 152 | E | 69.9 | Low | 70.2 | Confident | 115 Ų | 115 | 69 Ų | 69 | 54% | 0.537 | 34% | 0.338 | S | S | . | . | trans | -109.1 | 132.6 | -177.6 | -77.4 | -158.7 | -144.6 | 0 | 0 | 112.7 | Y146 S150 R158 | Y146-E152 WeakPolarHBondContact CE1-O 3.32Å; S150-E152 PolarHBondContact O-N 2.87Å; S150-E152 PolarHBondContact OG-N 3.46Å; S150-E152 PolarHBondContact OG-O 2.93Å; E152-R158 IonicContact OE2-NH1 2.75Å | ||
| 153 | L | 67.1 | Low | 69 | Low | 7 Ų | 7 | 66.3 Ų | 66.3 | 4% | 0.037 | 34% | 0.338 | C | S | . | . | trans | -73.8 | 129.4 | 168.2 | -82.3 | -177.6 | 0 | 0 | 0 | 110.7 | F118 F120 Y147 L157 R158 V161 | F118-L153 HydrophobicContact CD1-CD1 4.07Å; F118-L153 HydrophobicContact CD2-CD1 3.48Å; F118-L153 VanDerWaalsContact CD2-CD1 3.48Å; F118-L153 HydrophobicContact CD2-CD2 4.3Å; F118-L153 HydrophobicContact CD2-CG 3.67Å; F118-L153 HydrophobicContact CE1-CD1 4.12Å; F118-L153 HydrophobicContact CE2-CD1 3.54Å; F118-L153 HydrophobicContact CE2-CG 3.99Å; F118-L153 HydrophobicContact CG-CD1 3.77Å; F118-L153 HydrophobicContact CG-CD2 4.47Å; F118-L153 HydrophobicContact CG-CG 4.21Å; F118-L153 HydrophobicContact CZ-CD1 3.87Å; F120-L153 HydrophobicContact CE2-CD2 4.33Å; F120-L153 HydrophobicContact CZ-CD2 3.78Å; Y147-L153 HydrophobicContact CD2-CD2 4.2Å; Y147-L153 HydrophobicContact CD2-CG 4.28Å; Y147-L153 HydrophobicContact CG-CD2 4.35Å; L153-L157 HydrophobicContact CD2-CB 4.29Å; L153-L157 HydrophobicContact CD2-CD1 4.33Å; L153-R158 HydrophobicContact CB-CB 4.32Å; L153-R158 PolarHBondContact O-NH1 2.77Å; L153-V161 HydrophobicContact CD1-CG2 4.11Å | ||
| 154 | P | 68.5 | Low | 67.8 | Low | 24 Ų | 24 | 70.5 Ų | 70.5 | 16% | 0.156 | 35% | 0.35 | C | S | . | . | trans | -51.5 | 144.2 | 170.7 | -28.8 | 36.2 | 0 | 0 | 0 | 112.2 | Y146 R156 L157 R158 | Y146-P154 HydrophobicContact CD1-CG 3.88Å; Y146-P154 HydrophobicContact CE1-CG 4.22Å; P154-R156 PolarHBondContact O-N 3.01Å; P154-L157 PolarHBondContact O-N 3.28Å; P154-R158 PolarHBondContact O-N 2.87Å | ||
| 155 | P | 65.3 | Low | 66.6 | Low | 92 Ų | 92 | 74.2 Ų | 74.2 | 60% | 0.597 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -53.2 | -34.2 | -174.5 | -29.6 | 35.6 | 0 | 0 | 0 | 114.6 | L157 R158 G159 | P155-L157 VanDerWaalsContact C-N 3.33Å; P155-L157 PolarHBondContact O-N 3.43Å; P155-R158 PolarHBondContact O-N 3.2Å; P155-G159 PolarHBondContact O-N 3.1Å |
| 156 | R | 64.8 | Low | 65.1 | Low | 213 Ų | 213 | 74.8 Ų | 74.8 | 80% | 0.804 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -67 | -28.1 | 177.3 | -66.5 | -75.7 | -75.8 | 175.5 | -4.5 | 113.5 | P154 K160 | P154-R156 PolarHBondContact O-N 3.01Å; R156-K160 WeakPolarHBondContact O-CG 3.46Å |
| 157 | L | 68.1 | Low | 63.7 | Low | 6 Ų | 6 | 72.7 Ų | 72.7 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -90.2 | -40.7 | 173.5 | -60.6 | -169.3 | 0 | 0 | 0 | 111.4 | F120 V137 H138 D143 L153 P154 P155 G159 K160 V161 | F120-L157 HydrophobicContact CE1-CD1 3.84Å; F120-L157 HydrophobicContact CZ-CD1 4.31Å; V137-L157 HydrophobicContact CG1-CD1 4.17Å; H138-L157 WeakPolarHBondContact O-CD2 3.49Å; D143-L157 HydrophobicContact CB-CD1 3.63Å; L153-L157 HydrophobicContact CD2-CB 4.29Å; L153-L157 HydrophobicContact CD2-CD1 4.33Å; P154-L157 PolarHBondContact O-N 3.28Å; P155-L157 VanDerWaalsContact C-N 3.33Å; P155-L157 PolarHBondContact O-N 3.43Å; L157-G159 VanDerWaalsContact C-N 3.3Å; L157-G159 PolarHBondContact O-N 3.46Å; L157-K160 HydrophobicContact CD2-CD 4.29Å; L157-K160 WeakPolarHBondContact O-CB 3.16Å; L157-K160 PolarHBondContact O-N 3.37Å; L157-V161 WeakPolarHBondContact O-CG2 3.23Å; L157-V161 PolarHBondContact O-N 2.9Å |
| 158 | R | 67.4 | Low | 61.8 | Low | 76 Ų | 76 | 74.9 Ų | 74.9 | 29% | 0.287 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -51 | -47.6 | 173.9 | -179 | 154.5 | 69.2 | -143.2 | 22.8 | 111.9 | E152 L153 P154 P155 V161 A162 L172 | E152-R158 IonicContact OE2-NH1 2.75Å; L153-R158 HydrophobicContact CB-CB 4.32Å; L153-R158 PolarHBondContact O-NH1 2.77Å; P154-R158 PolarHBondContact O-N 2.87Å; P155-R158 PolarHBondContact O-N 3.2Å; R158-V161 PolarHBondContact O-N 3.33Å; R158-A162 WeakPolarHBondContact O-CB 3.23Å; R158-A162 PolarHBondContact O-N 2.94Å; R158-L172 HydrophobicContact CG-CD1 4.26Å; R158-L172 HydrophobicContact CG-CD2 3.91Å |
| 159 | G | 61.9 | Low | 60.1 | Low | 25 Ų | 25 | 75.7 Ų | 75.7 | 26% | 0.258 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | P155 L157 A163 | P155-G159 PolarHBondContact O-N 3.1Å; L157-G159 VanDerWaalsContact C-N 3.3Å; L157-G159 PolarHBondContact O-N 3.46Å; G159-A163 VanDerWaalsContact O-CB 3.26Å; G159-A163 WeakPolarHBondContact O-CB 3.1Å; G159-A163 PolarHBondContact O-N 3.3Å |
| 160 | K | 63.9 | Low | 59 | Low | 108 Ų | 108 | 74.4 Ų | 74.4 | 47% | 0.47 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 176.4 | -72.6 | 174.8 | 179.1 | -178.6 | 0 | 112.1 | R156 L157 R164 | R156-K160 WeakPolarHBondContact O-CG 3.46Å; L157-K160 HydrophobicContact CD2-CD 4.29Å; L157-K160 WeakPolarHBondContact O-CB 3.16Å; L157-K160 PolarHBondContact O-N 3.37Å; K160-R164 PolarHBondContact O-N 2.91Å; K160-R164 VanDerWaalsContact O-N 3.11Å |
| 161 | V | 63.1 | Low | 57.9 | Low | 19 Ų | 19 | 76.1 Ų | 76.1 | 12% | 0.115 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -69.7 | -48.1 | 178.1 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | F118 V137 L153 L157 R158 A163 R164 L165 | F118-V161 HydrophobicContact CD1-CG1 4.49Å; F118-V161 HydrophobicContact CE1-CG1 3.77Å; F118-V161 HydrophobicContact CZ-CG1 4.37Å; V137-V161 HydrophobicContact CG1-CG2 4.32Å; V137-V161 HydrophobicContact CG2-CG2 4.05Å; L153-V161 HydrophobicContact CD1-CG2 4.11Å; L157-V161 WeakPolarHBondContact O-CG2 3.23Å; L157-V161 PolarHBondContact O-N 2.9Å; R158-V161 PolarHBondContact O-N 3.33Å; V161-A163 VanDerWaalsContact C-N 3.35Å; V161-A163 PolarHBondContact O-N 3.33Å; V161-R164 PolarHBondContact O-N 3.3Å; V161-L165 HydrophobicContact CG1-CD1 3.85Å; V161-L165 WeakPolarHBondContact O-CG 3.34Å; V161-L165 PolarHBondContact O-N 3.02Å |
| 162 | A | 59.8 | Low | 56.9 | Low | 3 Ų | 3 | 76.2 Ų | 76.2 | 3% | 0.025 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57.1 | -46.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R158 R164 L165 G166 L167 L172 | R158-A162 WeakPolarHBondContact O-CB 3.23Å; R158-A162 PolarHBondContact O-N 2.94Å; A162-R164 PolarHBondContact O-N 2.86Å; A162-L165 PolarHBondContact O-N 2.86Å; A162-L165 VanDerWaalsContact O-N 3.16Å; A162-G166 PolarHBondContact O-N 2.95Å; A162-L167 HydrophobicContact CB-CB 4.42Å; A162-L167 PolarHBondContact O-N 2.87Å; A162-L172 HydrophobicContact CB-CD1 4.11Å |
| 163 | A | 55.9 | Low | 55.9 | Low | 76 Ų | 76 | 76.4 Ų | 76.4 | 63% | 0.628 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.1 | -38.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G159 V161 G166 | G159-A163 VanDerWaalsContact O-CB 3.26Å; G159-A163 WeakPolarHBondContact O-CB 3.1Å; G159-A163 PolarHBondContact O-N 3.3Å; V161-A163 VanDerWaalsContact C-N 3.35Å; V161-A163 PolarHBondContact O-N 3.33Å; A163-G166 PolarHBondContact O-N 2.86Å |
| 164 | R | 55.6 | Low | 54.8 | Low | 132 Ų | 132 | 84.1 Ų | 84.1 | 50% | 0.498 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -72.1 | -28.1 | 174.9 | -78.5 | -161.6 | -176.9 | -78.4 | 7.5 | 113.9 | S132 N133 K160 V161 A162 | S132-R164 VanDerWaalsContact O-CZ 3.28Å; S132-R164 PolarHBondContact O-NH1 2.74Å; S132-R164 PolarHBondContact O-NH2 3.04Å; N133-R164 PolarHBondContact OD1-NH1 2.88Å; K160-R164 PolarHBondContact O-N 2.91Å; K160-R164 VanDerWaalsContact O-N 3.11Å; V161-R164 PolarHBondContact O-N 3.3Å; A162-R164 PolarHBondContact O-N 2.86Å |
| 165 | L | 56.3 | Low | 53.4 | Low | 107 Ų | 107 | 88 Ų | 88 | 56% | 0.56 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -84.4 | -14.8 | 176.2 | -66.5 | 174 | 0 | 0 | 0 | 113 | V161 A162 L167 | V161-L165 HydrophobicContact CG1-CD1 3.85Å; V161-L165 WeakPolarHBondContact O-CG 3.34Å; V161-L165 PolarHBondContact O-N 3.02Å; A162-L165 PolarHBondContact O-N 2.86Å; A162-L165 VanDerWaalsContact O-N 3.16Å; L165-L167 HydrophobicContact CB-CD1 3.92Å; L165-L167 HydrophobicContact CB-CG 3.95Å; L165-L167 HydrophobicContact CD1-CD1 4.09Å |
| 166 | G | 45.1 | Very low | 52.2 | Low | 62 Ų | 62 | 95.7 Ų | 95.7 | 64% | 0.639 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 32 | -175 | 0 | 0 | 0 | 0 | 0 | 113 | A162 A163 | A162-G166 PolarHBondContact O-N 2.95Å; A163-G166 PolarHBondContact O-N 2.86Å |
| 167 | L | 47.2 | Very low | 51.3 | Low | 79 Ų | 79 | 89.1 Ų | 89.1 | 41% | 0.414 | 50% | 0.5 | S | S | . | . | trans | -104.3 | 149.6 | 178.3 | -63.1 | 176.6 | 0 | 0 | 0 | 109.6 | A162 L165 D171 | A162-L167 HydrophobicContact CB-CB 4.42Å; A162-L167 PolarHBondContact O-N 2.87Å; L165-L167 HydrophobicContact CB-CD1 3.92Å; L165-L167 HydrophobicContact CB-CG 3.95Å; L165-L167 HydrophobicContact CD1-CD1 4.09Å; L167-D171 HydrophobicContact CB-CB 4.06Å; L167-D171 HydrophobicContact CD2-CB 4.48Å | ||
| 168 | S | 35.8 | Very low | 50.5 | Low | 58 Ų | 58 | 95.1 Ų | 95.1 | 41% | 0.406 | 53% | 0.528 | S | S | . | . | trans | -73.3 | 169.1 | 176.2 | 87.4 | 0 | 0 | 0 | 0 | 111.4 | M170 D171 | S168-M170 PolarHBondContact O-N 2.9Å; S168-M170 VanDerWaalsContact O-N 3.08Å; S168-M170 PolarHBondContact OG-N 2.89Å; S168-D171 WeakPolarHBondContact CA-OD2 3.37Å; S168-D171 WeakPolarHBondContact CB-OD2 3.27Å; S168-D171 PolarHBondContact N-OD2 2.94Å; S168-D171 PolarHBondContact O-N 3.46Å; S168-D171 VanDerWaalsContact OG-CG 3.24Å; S168-D171 PolarHBondContact OG-OD2 2.92Å | ||
| 169 | L | 40.2 | Very low | 50.3 | Low | 121 Ų | 121 | 94.8 Ų | 94.8 | 63% | 0.634 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -15 | 178.5 | -169.4 | 61.1 | 0 | 0 | 0 | 113.4 | ||
| 170 | M | 46.4 | Very low | 50.9 | Low | 147 Ų | 147 | 97.7 Ų | 97.7 | 72% | 0.724 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -11.5 | 176.9 | -56.9 | -59.3 | 125.8 | 0 | 0 | 113.3 | S168 L172 | S168-M170 PolarHBondContact O-N 2.9Å; S168-M170 VanDerWaalsContact O-N 3.08Å; S168-M170 PolarHBondContact OG-N 2.89Å; M170-L172 VanDerWaalsContact C-N 3.33Å; M170-L172 PolarHBondContact O-N 3.41Å |
| 171 | D | 47.4 | Very low | 51.4 | Low | 91 Ų | 91 | 96 Ų | 96 | 49% | 0.487 | 54% | 0.544 | S | S | . | . | trans | -94.1 | 42 | -173.2 | -58.7 | -50.6 | 0 | 0 | 0 | 113.1 | L167 S168 | L167-D171 HydrophobicContact CB-CB 4.06Å; L167-D171 HydrophobicContact CD2-CB 4.48Å; S168-D171 WeakPolarHBondContact CA-OD2 3.37Å; S168-D171 WeakPolarHBondContact CB-OD2 3.27Å; S168-D171 PolarHBondContact N-OD2 2.94Å; S168-D171 PolarHBondContact O-N 3.46Å; S168-D171 VanDerWaalsContact OG-CG 3.24Å; S168-D171 PolarHBondContact OG-OD2 2.92Å | ||
| 172 | L | 45.8 | Very low | 52.2 | Low | 39 Ų | 39 | 95.1 Ų | 95.1 | 20% | 0.204 | 54% | 0.539 | C | S | . | . | S | Bend | trans | -96.8 | 148.6 | 154.4 | -102.8 | 81.5 | 0 | 0 | 0 | 109.1 | R158 A162 M170 L174 | R158-L172 HydrophobicContact CG-CD1 4.26Å; R158-L172 HydrophobicContact CG-CD2 3.91Å; A162-L172 HydrophobicContact CB-CD1 4.11Å; M170-L172 VanDerWaalsContact C-N 3.33Å; M170-L172 PolarHBondContact O-N 3.41Å; L172-L174 PolarHBondContact O-N 3.05Å |
| 173 | P | 48.3 | Very low | 53.1 | Low | 120 Ų | 120 | 103.9 Ų | 103.9 | 78% | 0.779 | 57% | 0.571 | S | S | * | * | trans | -73.8 | 95 | -147.8 | 27.1 | -36.7 | 0 | 0 | 0 | 114.4 | S175 | P173-S175 VanDerWaalsContact C-N 3.28Š| ||
| 174 | L | 44.1 | Very low | 54.1 | Low | 168 Ų | 168 | 103 Ų | 103 | 88% | 0.88 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -80.4 | -3 | 167.9 | -112.2 | 72.6 | 0 | 0 | 0 | 113.9 | L172 | L172-L174 PolarHBondContact O-N 3.05Š|
| 175 | S | 39.6 | Very low | 55.4 | Low | 106 Ų | 106 | 100.1 Ų | 100.1 | 74% | 0.741 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -152.8 | 148.1 | 170.4 | -84.6 | 0 | 0 | 0 | 0 | 112.9 | P173 | P173-S175 VanDerWaalsContact C-N 3.28Š|
| 176 | R | 38.5 | Very low | 56.5 | Low | 254 Ų | 254 | 100.6 Ų | 100.6 | 96% | 0.958 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -68.1 | 132.4 | -177.1 | -71.9 | 172.6 | 167.3 | 164.3 | -6.4 | 111.6 | E178 | R176-E178 PolarHBondContact O-N 3.32Š|
| 177 | G | 47.4 | Very low | 58 | Low | 75 Ų | 75 | 104.8 Ų | 104.8 | 77% | 0.773 | 55% | 0.551 | S | S | * | * | trans | 75.8 | 13.1 | 148 | 0 | 0 | 0 | 0 | 0 | 118 | V179 | G177-V179 PolarHBondContact O-N 3.39Š| ||
| 178 | E | 50.4 | Low | 59.6 | Low | 132 Ų | 132 | 104.3 Ų | 104.3 | 62% | 0.617 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 122.8 | 172 | -143.5 | -152.9 | -155.9 | 0 | 0 | 110.7 | R176 R199 | R176-E178 PolarHBondContact O-N 3.32Å; E178-R199 VanDerWaalsContact CD-CZ 3.5Å; E178-R199 IonicContact OE1-CZ 2.93Å; E178-R199 IonicContact OE1-NE 2.69Å; E178-R199 PolarHBondContact OE1-NE 2.81Å; E178-R199 VanDerWaalsContact OE1-NE 3.11Å; E178-R199 IonicContact OE1-NH1 3.76Å; E178-R199 IonicContact OE1-NH2 2.67Å; E178-R199 PolarHBondContact OE1-NH2 3Å; E178-R199 IonicContact OE2-CZ 2.6Å; E178-R199 IonicContact OE2-NE 3.86Å; E178-R199 PolarHBondContact OE2-NE 3.29Å; E178-R199 IonicContact OE2-NH2 2.99Å; E178-R199 PolarHBondContact OE2-NH2 3.5Å |
| 179 | V | 63.4 | Low | 61.6 | Low | 69 Ų | 69 | 107.5 Ų | 107.5 | 42% | 0.418 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -71.2 | 126.2 | -175.4 | 168.1 | 0 | 0 | 0 | 0 | 109.8 | G177 K197 R199 | G177-V179 PolarHBondContact O-N 3.39Å; V179-K197 WeakPolarHBondContact CG1-O 3.36Å; V179-R199 VanDerWaalsContact O-CB 3.29Å; V179-R199 WeakPolarHBondContact O-CB 3.44Å |
| 180 | P | 74.3 | Confident | 63.7 | Low | 86 Ų | 86 | 102.5 Ų | 102.5 | 56% | 0.558 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 149.9 | -175.2 | 19.5 | -29.3 | 0 | 0 | 0 | 112.9 | F198 R199 | P180-F198 HydrophobicContact CG-CD1 4.06Å; P180-F198 HydrophobicContact CG-CE1 4.22Å; P180-F198 CarbonylContact O-C 3.51Å; P180-F198 VanDerWaalsContact O-CA 3.3Å; P180-F198 WeakPolarHBondContact O-CA 3.46Å; P180-F198 WeakPolarHBondContact O-CB 3.43Å; P180-R199 PolarHBondContact O-N 2.85Å |
| 181 | I | 74.5 | Confident | 65.4 | Low | 72 Ų | 72 | 104.9 Ų | 104.9 | 37% | 0.369 | 56% | 0.557 | S | S | . | * | B | Isolated β-bridge | trans | -68.2 | 138.1 | -173.4 | -56.1 | 175.3 | 0 | 0 | 0 | 110.9 | R183 L186 R199 V201 | I181-R183 PolarHBondContact O-N 2.92Å; I181-R183 VanDerWaalsContact O-N 3.16Å; I181-L186 HydrophobicContact CG2-CD1 3.71Å; I181-L186 HydrophobicContact CG2-CD2 4.23Å; I181-L186 HydrophobicContact CG2-CG 3.91Å; I181-R199 WeakPolarHBondContact CA-O 3.48Å; I181-R199 WeakPolarHBondContact CG2-O 3.46Å; I181-V201 HydrophobicContact CD1-CG2 4.09Å; I181-V201 HydrophobicContact CG1-CG2 4.26Å; I181-V201 HydrophobicContact CG2-CG2 4.31Å |
| 182 | C | 80.9 | Confident | 67 | Low | 1 Ų | 1 | 105.6 Ų | 105.6 | 1% | 0.007 | 55% | 0.553 | C | S | . | * | trans | -70.8 | 107.5 | -177.7 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | D184 F185 L186 R192 F198 R199 H200 | C182-D184 PolarHBondContact O-N 3.03Å; C182-F185 HydrophobicContact CB-CB 3.69Å; C182-F185 PolarHBondContact O-N 2.92Å; C182-F185 PolarHBondContact SG-N 2.9Å; C182-F185 VanDerWaalsContact SG-N 3.44Å; C182-L186 PolarHBondContact O-N 3.4Å; C182-R192 PolarHBondContact SG-NH2 3.29Å; C182-F198 HydrophobicContact CB-CB 3.48Å; C182-F198 VanDerWaalsContact CB-CB 3.48Å; C182-R199 PolarHBondContact N-O 3.06Å; C182-H200 WeakPolarHBondContact CB-CD2 3.45Å; C182-H200 PolarHBondContact SG-NE2 3.32Å | ||
| 183 | R | 77.3 | Confident | 68.3 | Low | 186 Ų | 186 | 105.1 Ų | 105.1 | 70% | 0.702 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -55.8 | -36.4 | 174.9 | -69.5 | -175.7 | 175.7 | -177.5 | -1.3 | 112.5 | I181 F185 K187 | I181-R183 PolarHBondContact O-N 2.92Å; I181-R183 VanDerWaalsContact O-N 3.16Å; R183-F185 VanDerWaalsContact C-N 3.34Å; R183-K187 WeakPolarHBondContact O-CG 3.49Å; R183-K187 PolarHBondContact O-N 3.34Å |
| 184 | D | 78.3 | Confident | 69.5 | Low | 59 Ų | 59 | 107.7 Ų | 107.7 | 32% | 0.316 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.2 | -30.9 | 178.8 | -45.5 | -14.7 | 0 | 0 | 0 | 111.4 | C182 K187 G188 E189 C190 R192 | C182-D184 PolarHBondContact O-N 3.03Å; D184-K187 PolarHBondContact O-N 2.91Å; D184-G188 PolarHBondContact O-N 2.98Å; D184-E189 PolarHBondContact O-N 2.92Å; D184-C190 HydrophobicContact CB-CB 3.86Å; D184-C190 PolarHBondContact O-N 3.38Å; D184-R192 IonicContact OD2-CZ 2.7Å; D184-R192 IonicContact OD2-NH1 3.72Å; D184-R192 PolarHBondContact OD2-NH1 3.3Å; D184-R192 IonicContact OD2-NH2 3.11Å; D184-R192 PolarHBondContact OD2-NH2 3.45Å |
| 185 | F | 81.9 | Confident | 71 | Confident | 70 Ų | 70 | 109.2 Ų | 109.2 | 31% | 0.307 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -79.4 | -35.6 | 178.8 | -172.6 | -101.4 | 0 | 0 | 0 | 111.7 | C182 R183 K187 G188 C190 H200 V201 | C182-F185 HydrophobicContact CB-CB 3.69Å; C182-F185 PolarHBondContact O-N 2.92Å; C182-F185 PolarHBondContact SG-N 2.9Å; C182-F185 VanDerWaalsContact SG-N 3.44Å; R183-F185 VanDerWaalsContact C-N 3.34Å; F185-K187 PolarHBondContact O-N 3.07Å; F185-K187 VanDerWaalsContact O-N 3.13Å; F185-G188 PolarHBondContact O-N 3.11Å; F185-C190 HydrophobicContact CB-CB 3.8Å; F185-C190 HydrophobicContact CD2-CB 4.19Å; F185-H200 HydrophobicContact CD1-CB 3.71Å; F185-H200 AromaticContact CD1-CG 3.84Å; F185-H200 HydrophobicContact CD2-CB 4.17Å; F185-H200 AromaticContact CD2-CE1 3.46Å; F185-H200 VanDerWaalsContact CD2-CE1 3.46Å; F185-H200 WeakPolarHBondContact CD2-CE1 3.28Å; F185-H200 AromaticContact CD2-CG 3.58Å; F185-H200 AromaticContact CD2-ND1 3.21Å; F185-H200 WeakPolarHBondContact CD2-ND1 3.48Å; F185-H200 AromaticContact CD2-NE2 3.94Å; F185-H200 HydrophobicContact CE1-CB 3.73Å; F185-H200 HydrophobicContact CE2-CB 4.18Å; F185-H200 AromaticContact CE2-CG 3.96Å; F185-H200 AromaticContact CE2-ND1 3.5Å; F185-H200 WeakPolarHBondContact CE2-ND1 3.3Å; F185-H200 HydrophobicContact CG-CB 3.93Å; F185-H200 AromaticContact CG-CD2 3.67Å; F185-H200 AromaticContact CG-CE1 3.89Å; F185-H200 AromaticContact CG-CG 3.5Å; F185-H200 VanDerWaalsContact CG-CG 3.5Å; F185-H200 AromaticContact CG-ND1 3.66Å; F185-H200 AromaticContact CG-NE2 3.91Å; F185-H200 HydrophobicContact CZ-CB 3.97Å; F185-V201 WeakPolarHBondContact CE1-O 3.45Å |
| 186 | L | 80.6 | Confident | 72.9 | Confident | 117 Ų | 117 | 105.2 Ų | 105.2 | 61% | 0.613 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.2 | -19.5 | 170.4 | -73 | 167.9 | 0 | 0 | 0 | 113.1 | I181 C182 | I181-L186 HydrophobicContact CG2-CD1 3.71Å; I181-L186 HydrophobicContact CG2-CD2 4.23Å; I181-L186 HydrophobicContact CG2-CG 3.91Å; C182-L186 PolarHBondContact O-N 3.4Å |
| 187 | K | 76.2 | Confident | 74.8 | Confident | 151 Ų | 151 | 101.8 Ų | 101.8 | 66% | 0.657 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -8.8 | 172.4 | -64.8 | -179.4 | 178.2 | -173.2 | 0 | 114.7 | R183 D184 F185 E189 | R183-K187 WeakPolarHBondContact O-CG 3.49Å; R183-K187 PolarHBondContact O-N 3.34Å; D184-K187 PolarHBondContact O-N 2.91Å; F185-K187 PolarHBondContact O-N 3.07Å; F185-K187 VanDerWaalsContact O-N 3.13Å; K187-E189 VanDerWaalsContact C-N 3.32Å; K187-E189 HydrophobicContact CB-CG 4.01Å; K187-E189 WeakPolarHBondContact CD-OE2 3.5Å; K187-E189 IonicContact NZ-OE2 3.93Å |
| 188 | G | 79.4 | Confident | 76.3 | Confident | 69 Ų | 69 | 102.5 Ų | 102.5 | 71% | 0.711 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 1.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | D184 F185 | D184-G188 PolarHBondContact O-N 2.98Å; F185-G188 PolarHBondContact O-N 3.11Å |
| 189 | E | 79.2 | Confident | 77.6 | Confident | 124 Ų | 124 | 100.8 Ų | 100.8 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | trans | -93.1 | -2.8 | -171.4 | -59.3 | 177.9 | 127.2 | 0 | 0 | 113.8 | D184 K187 Q191 | D184-E189 PolarHBondContact O-N 2.92Å; K187-E189 VanDerWaalsContact C-N 3.32Å; K187-E189 HydrophobicContact CB-CG 4.01Å; K187-E189 WeakPolarHBondContact CD-OE2 3.5Å; K187-E189 IonicContact NZ-OE2 3.93Å; E189-Q191 PolarHBondContact O-N 3.2Å | ||
| 190 | C | 83.6 | Confident | 78.5 | Confident | 16 Ų | 16 | 99.6 Ų | 99.6 | 11% | 0.108 | 49% | 0.488 | C | S | . | . | trans | -76.8 | 88.5 | -172.1 | -167.9 | 0 | 0 | 0 | 0 | 114.3 | D184 F185 R192 G193 H200 | D184-C190 HydrophobicContact CB-CB 3.86Å; D184-C190 PolarHBondContact O-N 3.38Å; F185-C190 HydrophobicContact CB-CB 3.8Å; F185-C190 HydrophobicContact CD2-CB 4.19Å; C190-R192 PolarHBondContact O-N 2.84Å; C190-G193 PolarHBondContact O-N 3.11Å; C190-H200 PolarHBondContact SG-CE1 3.4Å; C190-H200 PolarHBondContact SG-NE2 3.19Å | ||
| 191 | Q | 81.6 | Confident | 78.4 | Confident | 197 Ų | 197 | 98.4 Ų | 98.4 | 92% | 0.921 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -10.6 | 171.9 | -60.9 | 177.4 | 0.5 | 0 | 0 | 114.9 | E189 | E189-Q191 PolarHBondContact O-N 3.2Š|
| 192 | R | 81.7 | Confident | 77.8 | Confident | 106 Ų | 106 | 102 Ų | 102 | 40% | 0.4 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -14.3 | -177 | -56.8 | -179.1 | -64 | -93.7 | -0.8 | 113.8 | C182 D184 C190 K195 C196 | C182-R192 PolarHBondContact SG-NH2 3.29Å; D184-R192 IonicContact OD2-CZ 2.7Å; D184-R192 IonicContact OD2-NH1 3.72Å; D184-R192 PolarHBondContact OD2-NH1 3.3Å; D184-R192 IonicContact OD2-NH2 3.11Å; D184-R192 PolarHBondContact OD2-NH2 3.45Å; C190-R192 PolarHBondContact O-N 2.84Å; R192-K195 WeakPolarHBondContact O-CB 3.43Å; R192-K195 PolarHBondContact O-N 2.95Å; R192-C196 HydrophobicContact CB-CB 3.88Å; R192-C196 PolarHBondContact NE-SG 2.67Å; R192-C196 PolarHBondContact NH2-SG 3.11Å; R192-C196 VanDerWaalsContact NH2-SG 3.45Å; R192-C196 PolarHBondContact O-N 3.23Å |
| 193 | G | 74.3 | Confident | 76.4 | Confident | 30 Ų | 30 | 110.8 Ų | 110.8 | 31% | 0.309 | 53% | 0.53 | S | S | . | . | G | 310 helix | trans | 48.3 | -141.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | C190 K195 C196 H200 | C190-G193 PolarHBondContact O-N 3.11Å; G193-K195 PolarHBondContact O-N 3.47Å; G193-C196 VanDerWaalsContact O-CB 3.26Å; G193-C196 WeakPolarHBondContact O-CB 3.43Å; G193-C196 PolarHBondContact O-N 3.49Å; G193-C196 VanDerWaalsContact O-N 3.09Å; G193-H200 PolarHBondContact O-CE1 2.95Å; G193-H200 PolarHBondContact O-ND1 2.84Å |
| 194 | N | 72.7 | Confident | 74.7 | Confident | 173 Ų | 173 | 107 Ų | 107 | 93% | 0.925 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -69.2 | -0.5 | 179.5 | -62.2 | 4.6 | 0 | 0 | 0 | 114.1 | ||
| 195 | K | 76.5 | Confident | 73.3 | Confident | 201 Ų | 201 | 114.1 Ų | 114.1 | 87% | 0.874 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -96.9 | 6.4 | 172.8 | -59.6 | 176.9 | -176.4 | -71 | 0 | 112.3 | R192 G193 | R192-K195 WeakPolarHBondContact O-CB 3.43Å; R192-K195 PolarHBondContact O-N 2.95Å; G193-K195 PolarHBondContact O-N 3.47Å |
| 196 | C | 79.2 | Confident | 71.2 | Confident | 22 Ų | 22 | 119.6 Ų | 119.6 | 15% | 0.149 | 58% | 0.575 | C | S | . | * | trans | -69.6 | 136.7 | 179.7 | -167.4 | 0 | 0 | 0 | 0 | 112.1 | R192 G193 F198 H200 | R192-C196 HydrophobicContact CB-CB 3.88Å; R192-C196 PolarHBondContact NE-SG 2.67Å; R192-C196 PolarHBondContact NH2-SG 3.11Å; R192-C196 VanDerWaalsContact NH2-SG 3.45Å; R192-C196 PolarHBondContact O-N 3.23Å; G193-C196 VanDerWaalsContact O-CB 3.26Å; G193-C196 WeakPolarHBondContact O-CB 3.43Å; G193-C196 PolarHBondContact O-N 3.49Å; G193-C196 VanDerWaalsContact O-N 3.09Å; C196-F198 PolarHBondContact O-N 3.1Å; C196-H200 WeakPolarHBondContact CB-NE2 3.33Å; C196-H200 PolarHBondContact SG-NE2 2.89Å; C196-H200 VanDerWaalsContact SG-NE2 3.36Å | ||
| 197 | K | 77.3 | Confident | 69.4 | Low | 181 Ų | 181 | 124 Ų | 124 | 79% | 0.787 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -71.2 | 9.1 | 171.6 | -157.6 | -166.8 | 165.6 | 177.3 | 0 | 113.4 | V179 | V179-K197 WeakPolarHBondContact CG1-O 3.36Š|
| 198 | F | 79.8 | Confident | 67.2 | Low | 90 Ų | 90 | 123.2 Ų | 123.2 | 40% | 0.395 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -136.3 | 139.8 | -175.2 | -62.7 | -73.3 | 0 | 0 | 0 | 109.5 | P180 C182 C196 H200 | P180-F198 HydrophobicContact CG-CD1 4.06Å; P180-F198 HydrophobicContact CG-CE1 4.22Å; P180-F198 CarbonylContact O-C 3.51Å; P180-F198 VanDerWaalsContact O-CA 3.3Å; P180-F198 WeakPolarHBondContact O-CA 3.46Å; P180-F198 WeakPolarHBondContact O-CB 3.43Å; C182-F198 HydrophobicContact CB-CB 3.48Å; C182-F198 VanDerWaalsContact CB-CB 3.48Å; C196-F198 PolarHBondContact O-N 3.1Å; F198-H200 PolarHBondContact O-CD2 3.44Å; F198-H200 PolarHBondContact O-N 3.08Å |
| 199 | R | 78.1 | Confident | 65.6 | Low | 96 Ų | 96 | 123.7 Ų | 123.7 | 36% | 0.362 | 57% | 0.574 | S | S | . | * | B | Isolated β-bridge | trans | -65.6 | 131.5 | -170.6 | -174.4 | 160.7 | 68.2 | 100.5 | -13.2 | 111.2 | E178 V179 P180 I181 C182 V201 | E178-R199 VanDerWaalsContact CD-CZ 3.5Å; E178-R199 IonicContact OE1-CZ 2.93Å; E178-R199 IonicContact OE1-NE 2.69Å; E178-R199 PolarHBondContact OE1-NE 2.81Å; E178-R199 VanDerWaalsContact OE1-NE 3.11Å; E178-R199 IonicContact OE1-NH1 3.76Å; E178-R199 IonicContact OE1-NH2 2.67Å; E178-R199 PolarHBondContact OE1-NH2 3Å; E178-R199 IonicContact OE2-CZ 2.6Å; E178-R199 IonicContact OE2-NE 3.86Å; E178-R199 PolarHBondContact OE2-NE 3.29Å; E178-R199 IonicContact OE2-NH2 2.99Å; E178-R199 PolarHBondContact OE2-NH2 3.5Å; V179-R199 VanDerWaalsContact O-CB 3.29Å; V179-R199 WeakPolarHBondContact O-CB 3.44Å; P180-R199 PolarHBondContact O-N 2.85Å; I181-R199 WeakPolarHBondContact CA-O 3.48Å; I181-R199 WeakPolarHBondContact CG2-O 3.46Å; C182-R199 PolarHBondContact N-O 3.06Å; R199-V201 HydrophobicContact CG-CG2 4.26Å |
| 200 | H | 82.3 | Confident | 63.7 | Low | 45 Ų | 45 | 122.4 Ų | 122.4 | 21% | 0.208 | 58% | 0.578 | C | S | . | * | trans | -99.7 | 107.6 | 177.3 | -75.9 | -164.4 | 0 | 0 | 0 | 108.9 | C182 F185 C190 G193 C196 F198 | C182-H200 WeakPolarHBondContact CB-CD2 3.45Å; C182-H200 PolarHBondContact SG-NE2 3.32Å; F185-H200 HydrophobicContact CD1-CB 3.71Å; F185-H200 AromaticContact CD1-CG 3.84Å; F185-H200 HydrophobicContact CD2-CB 4.17Å; F185-H200 AromaticContact CD2-CE1 3.46Å; F185-H200 VanDerWaalsContact CD2-CE1 3.46Å; F185-H200 WeakPolarHBondContact CD2-CE1 3.28Å; F185-H200 AromaticContact CD2-CG 3.58Å; F185-H200 AromaticContact CD2-ND1 3.21Å; F185-H200 WeakPolarHBondContact CD2-ND1 3.48Å; F185-H200 AromaticContact CD2-NE2 3.94Å; F185-H200 HydrophobicContact CE1-CB 3.73Å; F185-H200 HydrophobicContact CE2-CB 4.18Å; F185-H200 AromaticContact CE2-CG 3.96Å; F185-H200 AromaticContact CE2-ND1 3.5Å; F185-H200 WeakPolarHBondContact CE2-ND1 3.3Å; F185-H200 HydrophobicContact CG-CB 3.93Å; F185-H200 AromaticContact CG-CD2 3.67Å; F185-H200 AromaticContact CG-CE1 3.89Å; F185-H200 AromaticContact CG-CG 3.5Å; F185-H200 VanDerWaalsContact CG-CG 3.5Å; F185-H200 AromaticContact CG-ND1 3.66Å; F185-H200 AromaticContact CG-NE2 3.91Å; F185-H200 HydrophobicContact CZ-CB 3.97Å; C190-H200 PolarHBondContact SG-CE1 3.4Å; C190-H200 PolarHBondContact SG-NE2 3.19Å; G193-H200 PolarHBondContact O-CE1 2.95Å; G193-H200 PolarHBondContact O-ND1 2.84Å; C196-H200 WeakPolarHBondContact CB-NE2 3.33Å; C196-H200 PolarHBondContact SG-NE2 2.89Å; C196-H200 VanDerWaalsContact SG-NE2 3.36Å; F198-H200 PolarHBondContact O-CD2 3.44Å; F198-H200 PolarHBondContact O-N 3.08Å | ||
| 201 | V | 71.8 | Confident | 61.7 | Low | 60 Ų | 60 | 132.7 Ų | 132.7 | 36% | 0.364 | 62% | 0.615 | S | S | . | * | trans | -100.9 | 110.6 | 175.9 | -175.8 | 0 | 0 | 0 | 0 | 107.8 | I181 F185 R199 K203 | I181-V201 HydrophobicContact CD1-CG2 4.09Å; I181-V201 HydrophobicContact CG1-CG2 4.26Å; I181-V201 HydrophobicContact CG2-CG2 4.31Å; F185-V201 WeakPolarHBondContact CE1-O 3.45Å; R199-V201 HydrophobicContact CG-CG2 4.26Å; V201-K203 PolarHBondContact O-N 2.86Å | ||
| 202 | K | 61.8 | Low | 59.8 | Low | 149 Ų | 149 | 128.3 Ų | 128.3 | 65% | 0.648 | 61% | 0.612 | S | S | * | * | trans | -63.2 | 125.5 | 179.6 | -167.1 | 172.6 | -177.8 | -100.8 | 0 | 108.5 | D204 | K202-D204 VanDerWaalsContact C-N 3.26Å; K202-D204 WeakPolarHBondContact CD-OD1 3.49Å; K202-D204 WeakPolarHBondContact CE-OD1 3.32Å; K202-D204 WeakPolarHBondContact CG-OD1 3.27Å; K202-D204 IonicContact NZ-OD1 2.61Å; K202-D204 PolarHBondContact NZ-OD1 3.48Å; K202-D204 PolarHBondContact O-N 2.83Å | ||
| 203 | K | 50.3 | Low | 57.6 | Low | 185 Ų | 185 | 127 Ų | 127 | 80% | 0.804 | 63% | 0.632 | S | S | * | * | trans | -83 | 78.1 | 175.2 | -171.9 | -173.6 | 175.2 | -173.2 | 0 | 108.3 | V201 Y205 | V201-K203 PolarHBondContact O-N 2.86Å; K203-Y205 VanDerWaalsContact C-N 3.32Å; K203-Y205 PolarHBondContact O-N 2.99Å | ||
| 204 | D | 41.6 | Very low | 56.1 | Low | 107 Ų | 107 | 133 Ų | 133 | 57% | 0.572 | 66% | 0.662 | S | S | * | * | trans | -70.2 | 87.7 | 179.5 | -72 | -54.5 | 0 | 0 | 0 | 110.9 | K202 | K202-D204 VanDerWaalsContact C-N 3.26Å; K202-D204 WeakPolarHBondContact CD-OD1 3.49Å; K202-D204 WeakPolarHBondContact CE-OD1 3.32Å; K202-D204 WeakPolarHBondContact CG-OD1 3.27Å; K202-D204 IonicContact NZ-OD1 2.61Å; K202-D204 PolarHBondContact NZ-OD1 3.48Å; K202-D204 PolarHBondContact O-N 2.83Å | ||
| 205 | Y | 49.4 | Very low | 54.1 | Low | 207 Ų | 207 | 128.4 Ų | 128.4 | 81% | 0.812 | 66% | 0.656 | S | S | * | * | trans | -131.7 | 53.7 | 176 | -113 | -83.5 | 0 | 0 | 0 | 110.5 | K203 | K203-Y205 VanDerWaalsContact C-N 3.32Å; K203-Y205 PolarHBondContact O-N 2.99Å | ||
| 206 | E | 37.3 | Very low | 52 | Low | 186 Ų | 186 | 122.3 Ų | 122.3 | 87% | 0.869 | 65% | 0.65 | S | S | * | * | trans | -140.3 | 98 | 167.6 | -120.5 | 162.3 | -147.1 | 0 | 0 | 108.8 | ||||
| 207 | Y | 43.8 | Very low | 50 | Low | 208 Ų | 208 | 127.9 Ų | 127.9 | 82% | 0.816 | 68% | 0.683 | S | S | * | * | trans | -86.6 | 107.4 | 165.1 | 168.5 | -96.2 | 0 | 0 | 0 | 106.6 | P209 | Y207-P209 HydrophobicContact CD1-CB 4.47Å; Y207-P209 HydrophobicContact CD1-CG 4.32Å; Y207-P209 HydrophobicContact CE1-CB 3.72Å; Y207-P209 HydrophobicContact CE1-CG 3.87Å; Y207-P209 WeakPolarHBondContact O-CD 3.49Å | ||
| 208 | E | 30.2 | Very low | 48.2 | Very low | 135 Ų | 135 | 126.3 Ų | 126.3 | 63% | 0.631 | 69% | 0.688 | S | S | * | * | trans | -107.7 | 104.5 | 179.4 | -137.9 | -51.4 | 129.7 | 0 | 0 | 109.7 | S210 | E208-S210 PolarHBondContact O-N 3.4Å; E208-S210 VanDerWaalsContact OE2-CB 3.24Å; E208-S210 WeakPolarHBondContact OE2-CB 3.39Å; E208-S210 PolarHBondContact OE2-N 2.93Å; E208-S210 VanDerWaalsContact OE2-N 3.12Å; E208-S210 PolarHBondContact OE2-OG 3.11Å | ||
| 209 | P | 45.8 | Very low | 46 | Very low | 80 Ų | 80 | 125 Ų | 125 | 52% | 0.519 | 70% | 0.701 | S | S | . | * | trans | -90.4 | 62.2 | -175.9 | 36.6 | -35.4 | 0 | 0 | 0 | 112.1 | Y207 R211 | Y207-P209 HydrophobicContact CD1-CB 4.47Å; Y207-P209 HydrophobicContact CD1-CG 4.32Å; Y207-P209 HydrophobicContact CE1-CB 3.72Å; Y207-P209 HydrophobicContact CE1-CG 3.87Å; Y207-P209 WeakPolarHBondContact O-CD 3.49Å; P209-R211 VanDerWaalsContact C-N 3.3Å; P209-R211 PolarHBondContact O-N 3.22Å | ||
| 210 | S | 39.3 | Very low | 44 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 67% | 0.671 | 73% | 0.729 | S | S | * | * | trans | -73 | 77.1 | -179 | -87.7 | 0 | 0 | 0 | 0 | 114.6 | E208 | E208-S210 PolarHBondContact O-N 3.4Å; E208-S210 VanDerWaalsContact OE2-CB 3.24Å; E208-S210 WeakPolarHBondContact OE2-CB 3.39Å; E208-S210 PolarHBondContact OE2-N 2.93Å; E208-S210 VanDerWaalsContact OE2-N 3.12Å; E208-S210 PolarHBondContact OE2-OG 3.11Å | ||
| 211 | R | 40.4 | Very low | 41.6 | Very low | 233 Ų | 233 | 131.9 Ų | 131.9 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | trans | 55.4 | 114.5 | 140.2 | -61.8 | 176.5 | 177.6 | 171.3 | -0.4 | 119 | P209 | P209-R211 VanDerWaalsContact C-N 3.3Å; P209-R211 PolarHBondContact O-N 3.22Å | ||
| 212 | A | 42.1 | Very low | 39.9 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 131.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 213 | G | 36.5 | Very low | 38.7 | Very low | 79 Ų | 79 | 134.6 Ų | 134.6 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 134.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 214 | V | 41.2 | Very low | 37.8 | Very low | 156 Ų | 156 | 129.4 Ų | 129.4 | 95% | 0.945 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 140.5 | -177.5 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 215 | G | 30.9 | Very low | 37.5 | Very low | 77 Ų | 77 | 133 Ų | 133 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | 142.3 | 111.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 216 | G | 33.5 | Very low | 36.9 | Very low | 73 Ų | 73 | 130.3 Ų | 130.3 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | -128.4 | 140.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 217 | V | 37.9 | Very low | 36.9 | Very low | 138 Ų | 138 | 128.9 Ų | 128.9 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -156.5 | 123.9 | 166 | -96.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 218 | V | 38.3 | Very low | 37.7 | Very low | 148 Ų | 148 | 125 Ų | 125 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | 52.1 | 130.8 | 157.5 | -166.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 219 | G | 33.8 | Very low | 37.7 | Very low | 64 Ų | 64 | 122.5 Ų | 122.5 | 66% | 0.66 | 82% | 0.817 | S | S | * | * | cis | 155.5 | 170.2 | -2.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 220 | Q | 35.9 | Very low | 37 | Very low | 206 Ų | 206 | 122.6 Ų | 122.6 | 96% | 0.963 | 83% | 0.833 | S | S | * | * | trans | 72.5 | 135.4 | 171.8 | -55.7 | -176.9 | -6.8 | 0 | 0 | 118.8 | ||||
| 221 | G | 32.6 | Very low | 36.8 | Very low | 78 Ų | 78 | 121.7 Ų | 121.7 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | 155.3 | 106.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 222 | A | 35.6 | Very low | 36.5 | Very low | 94 Ų | 94 | 120 Ų | 120 | 78% | 0.777 | 84% | 0.843 | S | S | * | * | trans | -70.9 | 133.7 | -174 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 223 | I | 35.8 | Very low | 36.3 | Very low | 173 Ų | 173 | 118.6 Ų | 118.6 | 89% | 0.887 | 84% | 0.839 | S | S | * | * | 53.8 | 121.9 | 85 | -54.4 | 174.1 | 0 | 0 | 0 | 114.3 | |||||
| 224 | G | 31.6 | Very low | 36.2 | Very low | 76 Ų | 76 | 119 Ų | 119 | 78% | 0.784 | 84% | 0.843 | S | S | * | * | trans | 162.4 | 122.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 225 | M | 35.2 | Very low | 35.8 | Very low | 182 Ų | 182 | 115.3 Ų | 115.3 | 90% | 0.897 | 84% | 0.836 | S | S | * | * | trans | -107.9 | 150 | 165.3 | -53.1 | 174 | -173.3 | 0 | 0 | 108.7 | ||||
| 226 | V | 36.7 | Very low | 35.9 | Very low | 151 Ų | 151 | 115.9 Ų | 115.9 | 92% | 0.915 | 84% | 0.842 | S | S | * | * | 177.2 | 162.2 | 120.7 | -85.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 227 | N | 38.2 | Very low | 35.8 | Very low | 156 Ų | 156 | 116.4 Ų | 116.4 | 83% | 0.834 | 85% | 0.848 | S | S | * | * | trans | -45.2 | 171.8 | 178.6 | -90.9 | -31.3 | 0 | 0 | 0 | 120.6 | ||||
| 228 | P | 59.5 | Low | 35.6 | Very low | 126 Ų | 126 | 113 Ų | 113 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | trans | -94.1 | 170.2 | -169.1 | 38.6 | -38.7 | 0 | 0 | 0 | 115.6 | ||||
| 229 | G | 31.4 | Very low | 35.3 | Very low | 82 Ų | 82 | 112.6 Ų | 112.6 | 85% | 0.845 | 84% | 0.838 | S | S | * | * | trans | -178.9 | 125.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 230 | G | 31.6 | Very low | 35.5 | Very low | 83 Ų | 83 | 115.5 Ų | 115.5 | 86% | 0.856 | 85% | 0.847 | S | S | * | * | trans | 93.5 | 82.9 | 132 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 231 | G | 33.5 | Very low | 35.4 | Very low | 77 Ų | 77 | 109.5 Ų | 109.5 | 79% | 0.794 | 84% | 0.84 | S | S | * | * | trans | 73.7 | 175.6 | 142.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 232 | M | 35.3 | Very low | 35.6 | Very low | 196 Ų | 196 | 109.5 Ų | 109.5 | 97% | 0.966 | 84% | 0.84 | S | S | * | * | cis | -159.7 | 149.2 | -13.1 | -152.2 | 139.1 | 67.1 | 0 | 0 | 111.5 | ||||
| 233 | G | 37.8 | Very low | 35.8 | Very low | 76 Ų | 76 | 112.3 Ų | 112.3 | 78% | 0.784 | 84% | 0.841 | S | S | * | * | trans | 82.8 | 141.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 234 | G | 34.1 | Very low | 35.8 | Very low | 86 Ų | 86 | 112 Ų | 112 | 89% | 0.887 | 84% | 0.835 | S | S | * | * | cis | 99.1 | 124.5 | 5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 235 | G | 33.4 | Very low | 35.8 | Very low | 79 Ų | 79 | 111.3 Ų | 111.3 | 81% | 0.814 | 83% | 0.828 | S | S | * | * | cis | 175.9 | 159.6 | -5.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 236 | G | 32.7 | Very low | 35.9 | Very low | 89 Ų | 89 | 110.3 Ų | 110.3 | 92% | 0.918 | 83% | 0.826 | S | S | * | * | trans | 78.4 | 157.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 237 | G | 30.8 | Very low | 35.7 | Very low | 85 Ų | 85 | 109.9 Ų | 109.9 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | cis | 152.6 | 130.6 | -4.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 238 | G | 33.2 | Very low | 35.5 | Very low | 65 Ų | 65 | 106.4 Ų | 106.4 | 67% | 0.67 | 82% | 0.824 | S | S | * | * | trans | 119.2 | 111.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 239 | V | 33.4 | Very low | 34.1 | Very low | 141 Ų | 141 | 104.5 Ų | 104.5 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | 84.9 | 147.1 | 57.1 | -56.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 240 | C | 37.1 | Very low | 34.2 | Very low | 125 Ų | 125 | 104.4 Ų | 104.4 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | 61.4 | 143.3 | -174.4 | 88.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 241 | G | 34.8 | Very low | 34.4 | Very low | 80 Ų | 80 | 107 Ų | 107 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | cis | 95.8 | 77.8 | -3.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 242 | G | 35.8 | Very low | 34.6 | Very low | 77 Ų | 77 | 111.8 Ų | 111.8 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | trans | -138.6 | 152 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 243 | I | 40.6 | Very low | 35 | Very low | 154 Ų | 154 | 109.8 Ų | 109.8 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | -124 | 163.4 | -168.9 | 53.4 | 171.2 | 0 | 0 | 0 | 111.9 | ||||
| 244 | Q | 34.1 | Very low | 35.1 | Very low | 165 Ų | 165 | 114.2 Ų | 114.2 | 77% | 0.771 | 83% | 0.826 | S | S | * | * | trans | 62.3 | 143.5 | 178.8 | -92.2 | 56 | 59.2 | 0 | 0 | 115.6 | ||||
| 245 | G | 32.5 | Very low | 35.2 | Very low | 62 Ų | 62 | 112.8 Ų | 112.8 | 64% | 0.639 | 81% | 0.811 | S | S | * | * | cis | 103.3 | 108.6 | -11.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 246 | L | 36.4 | Very low | 35.3 | Very low | 162 Ų | 162 | 116.6 Ų | 116.6 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -162.9 | 140.9 | 161.9 | -136 | 74.6 | 0 | 0 | 0 | 114.3 | ||||
| 247 | V | 33.5 | Very low | 35.3 | Very low | 141 Ų | 141 | 115.6 Ų | 115.6 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | 34.1 | 141.4 | 159.7 | -71.9 | 0 | 0 | 0 | 0 | 125 | ||||
| 248 | G | 33 | Very low | 35.6 | Very low | 83 Ų | 83 | 117.6 Ų | 117.6 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | 132.3 | 113.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 249 | G | 31.3 | Very low | 36.5 | Very low | 86 Ų | 86 | 120.3 Ų | 120.3 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | cis | 141.7 | 99.9 | -1.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 250 | G | 33.4 | Very low | 36.6 | Very low | 81 Ų | 81 | 119.2 Ų | 119.2 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | 166.4 | 131.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 251 | V | 34.6 | Very low | 36.8 | Very low | 138 Ų | 138 | 121.6 Ų | 121.6 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | -104.5 | 149.8 | 176.2 | -69.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 252 | N | 39.3 | Very low | 36.7 | Very low | 176 Ų | 176 | 120.9 Ų | 120.9 | 94% | 0.941 | 81% | 0.807 | S | S | * | * | trans | -159.3 | 168.5 | 152.4 | -100.8 | -38.4 | 0 | 0 | 0 | 110.6 | ||||
| 253 | M | 42.2 | Very low | 36.4 | Very low | 155 Ų | 155 | 122.9 Ų | 122.9 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | trans | -130.5 | 164.5 | -154.9 | -123.8 | -78.6 | -153.1 | 0 | 0 | 112.2 | ||||
| 254 | M | 41.5 | Very low | 36.2 | Very low | 169 Ų | 169 | 120.9 Ų | 120.9 | 83% | 0.833 | 81% | 0.808 | S | S | * | * | trans | 63.2 | 156.2 | -173.9 | -61.1 | 88.6 | -170.8 | 0 | 0 | 115.5 | ||||
| 255 | G | 34.7 | Very low | 36.3 | Very low | 56 Ų | 56 | 123.6 Ų | 123.6 | 58% | 0.577 | 81% | 0.811 | S | S | * | * | cis | 137 | 121.2 | -8.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 256 | T | 36.9 | Very low | 36.4 | Very low | 158 Ų | 158 | 127.8 Ų | 127.8 | 97% | 0.969 | 82% | 0.819 | S | S | * | * | trans | 65.7 | 158.7 | -172.1 | 77.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 257 | G | 31 | Very low | 36.3 | Very low | 68 Ų | 68 | 124.8 Ų | 124.8 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | cis | -166.1 | 174.1 | -1.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 258 | C | 38.3 | Very low | 36.2 | Very low | 128 Ų | 128 | 121.2 Ų | 121.2 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | trans | -81.7 | 144.8 | -178.9 | -55.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 259 | P | 51 | Low | 36.3 | Very low | 122 Ų | 122 | 126 Ų | 126 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | trans | -90 | 135.7 | 159.5 | 33.8 | -29.6 | 0 | 0 | 0 | 111.1 | ||||
| 260 | S | 36.8 | Very low | 36.6 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -147.8 | 131.4 | 164.2 | -69.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 261 | L | 40.8 | Very low | 36.5 | Very low | 175 Ų | 175 | 128.1 Ų | 128.1 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -95.1 | 138.3 | 165 | -61.1 | 160.1 | 0 | 0 | 0 | 105.4 | ||||
| 262 | G | 32.5 | Very low | 36.4 | Very low | 64 Ų | 64 | 129 Ų | 129 | 66% | 0.66 | 82% | 0.82 | S | S | * | * | cis | 89.2 | 111.9 | 24.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 263 | S | 30.9 | Very low | 36 | Very low | 120 Ų | 120 | 124.4 Ų | 124.4 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | cis | -150 | -174.7 | 4.2 | -60.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 264 | C | 35.6 | Very low | 35.5 | Very low | 112 Ų | 112 | 120.6 Ų | 120.6 | 76% | 0.757 | 82% | 0.815 | S | S | * | * | cis | -170.7 | 158 | 27.2 | 48.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 265 | R | 36.2 | Very low | 35 | Very low | 222 Ų | 222 | 122 Ų | 122 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | trans | 62.5 | 116 | 150.4 | -72.2 | 174.1 | 164.9 | 171 | -4.4 | 119.5 | ||||
| 266 | D | 33.6 | Very low | 34.8 | Very low | 149 Ų | 149 | 123 Ų | 123 | 80% | 0.797 | 83% | 0.832 | S | S | * | * | 75.2 | 134.6 | 69.7 | -67.3 | -47.6 | 0 | 0 | 0 | 113.2 | |||||
| 267 | A | 34.9 | Very low | 34.6 | Very low | 99 Ų | 99 | 119.6 Ų | 119.6 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | cis | -167.6 | 171.9 | -11.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 268 | G | 30.6 | Very low | 34.5 | Very low | 67 Ų | 67 | 120.1 Ų | 120.1 | 69% | 0.691 | 83% | 0.834 | S | S | * | * | cis | 166 | -171 | -1.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 269 | L | 35.8 | Very low | 34.1 | Very low | 184 Ų | 184 | 117.6 Ų | 117.6 | 96% | 0.963 | 83% | 0.829 | S | S | * | * | trans | 74.1 | 159 | 168.4 | -58.5 | 176.1 | 0 | 0 | 0 | 120.4 | ||||
| 270 | S | 38 | Very low | 33.5 | Very low | 132 Ų | 132 | 120 Ų | 120 | 92% | 0.923 | 83% | 0.832 | S | S | * | * | trans | -106.6 | 159 | -171.4 | -48 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 271 | G | 30.6 | Very low | 33.3 | Very low | 79 Ų | 79 | 120.2 Ų | 120.2 | 81% | 0.814 | 83% | 0.834 | S | S | * | * | trans | -169.4 | 143.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 272 | V | 34 | Very low | 32.9 | Very low | 155 Ų | 155 | 115.6 Ų | 115.6 | 94% | 0.939 | 83% | 0.828 | S | S | * | * | trans | -109.6 | 144.1 | -172.8 | -151.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 273 | G | 30.1 | Very low | 32.9 | Very low | 81 Ų | 81 | 118.7 Ų | 118.7 | 84% | 0.835 | 84% | 0.839 | S | S | * | * | trans | 84.4 | 162.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 274 | G | 31.1 | Very low | 32.8 | Very low | 74 Ų | 74 | 121 Ų | 121 | 76% | 0.763 | 84% | 0.841 | S | S | * | * | cis | 164 | 148.2 | -10.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 275 | M | 32.6 | Very low | 32.8 | Very low | 200 Ų | 200 | 120.7 Ų | 120.7 | 99% | 0.985 | 84% | 0.84 | S | S | * | * | trans | 74.1 | 145.6 | 163.9 | -142.3 | 70.1 | 78 | 0 | 0 | 120.2 | ||||
| 276 | G | 29.9 | Very low | 32.7 | Very low | 75 Ų | 75 | 118.5 Ų | 118.5 | 77% | 0.773 | 84% | 0.843 | S | S | * | * | trans | 87.1 | 137.2 | 171 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 277 | G | 32.4 | Very low | 32.5 | Very low | 87 Ų | 87 | 114.4 Ų | 114.4 | 90% | 0.897 | 84% | 0.836 | S | S | * | * | cis | 103.7 | 125.7 | 2.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 278 | G | 29.2 | Very low | 32.3 | Very low | 79 Ų | 79 | 115.8 Ų | 115.8 | 81% | 0.814 | 84% | 0.839 | S | S | * | * | cis | 172.6 | 164.1 | -6.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 279 | G | 30 | Very low | 32.4 | Very low | 75 Ų | 75 | 118.1 Ų | 118.1 | 77% | 0.773 | 85% | 0.845 | S | S | * | * | trans | 81.7 | 171.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 280 | M | 37.5 | Very low | 32.1 | Very low | 172 Ų | 172 | 112.5 Ų | 112.5 | 85% | 0.847 | 83% | 0.831 | S | S | * | * | cis | -163 | 160 | -23.8 | 62.4 | 179.7 | 80.7 | 0 | 0 | 110.5 | ||||
| 281 | S | 32.3 | Very low | 31.8 | Very low | 123 Ų | 123 | 114.4 Ų | 114.4 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | 65.3 | 152 | 176.2 | -57.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 282 | G | 32.2 | Very low | 31.9 | Very low | 78 Ų | 78 | 122 Ų | 122 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | cis | 145.2 | 93.6 | -9.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 283 | C | 32.5 | Very low | 31.7 | Very low | 130 Ų | 130 | 126 Ų | 126 | 88% | 0.878 | 83% | 0.828 | S | S | * | * | trans | -147.2 | 164.3 | 169.4 | 59.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 284 | L | 30.7 | Very low | 31.7 | Very low | 168 Ų | 168 | 133.4 Ų | 133.4 | 88% | 0.88 | 83% | 0.832 | S | S | * | * | trans | -106.7 | 150 | -159 | -69.6 | 169.8 | 0 | 0 | 0 | 115 | ||||
| 285 | S | 35.4 | Very low | 31.9 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 83% | 0.834 | S | S | * | * | trans | -0.5 | 135.8 | 157 | -50.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 286 | I | 33.8 | Very low | 31.7 | Very low | 176 Ų | 176 | 137.1 Ų | 137.1 | 90% | 0.903 | 82% | 0.824 | S | S | * | * | -168 | 137.6 | 114.5 | -99.2 | 155.7 | 0 | 0 | 0 | 111.9 | |||||
| 287 | G | 28.7 | Very low | 31.7 | Very low | 63 Ų | 63 | 139.1 Ų | 139.1 | 65% | 0.649 | 83% | 0.825 | S | S | * | * | trans | 68 | 108.8 | 143.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 288 | S | 30.6 | Very low | 31.7 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | 64.8 | 142 | 149.1 | -64.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 289 | S | 33.1 | Very low | 32.3 | Very low | 117 Ų | 117 | 141 Ų | 141 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | cis | -165.5 | 163.4 | -6.2 | 50.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 290 | G | 30.4 | Very low | 32.2 | Very low | 65 Ų | 65 | 147.8 Ų | 147.8 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | trans | 96.4 | 122.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 291 | Q | 30.8 | Very low | 31.9 | Very low | 172 Ų | 172 | 145.1 Ų | 145.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 54.3 | 93 | 136.9 | -96.8 | 71.6 | -18 | 0 | 0 | 121.4 | ||||
| 292 | R | 32.3 | Very low | 32.4 | Very low | 238 Ų | 238 | 144.7 Ų | 144.7 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | 139.3 | 105 | 110.8 | -77.2 | -169.5 | -70.3 | -165.9 | -1.4 | 114.9 | |||||
| 293 | R | 29.9 | Very low | 32.9 | Very low | 241 Ų | 241 | 148.4 Ų | 148.4 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | -147.1 | 135.7 | 126.2 | -72.6 | -158.6 | 176.7 | 106.3 | 5.1 | 108.6 | |||||
| 294 | Y | 30.5 | Very low | 33.2 | Very low | 236 Ų | 236 | 150.4 Ų | 150.4 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | -116.5 | 108.6 | 161.3 | -106 | -73.7 | 0 | 0 | 0 | 106.5 | ||||
| 295 | D | 34.2 | Very low | 33.4 | Very low | 148 Ų | 148 | 151.5 Ų | 151.5 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -122.9 | 121 | 167.4 | -142.5 | -33.4 | 0 | 0 | 0 | 105.9 | ||||
| 296 | R | 28.7 | Very low | 33.4 | Very low | 204 Ų | 204 | 152.4 Ų | 152.4 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | -156 | 81.6 | 177.7 | -165 | 167 | 179.6 | 157.8 | 0.1 | 112.1 | ||||
| 297 | S | 31.3 | Very low | 33.2 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -52.9 | 134.4 | 142.7 | -47.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 298 | S | 31.8 | Very low | 33.6 | Very low | 77 Ų | 77 | 151.9 Ų | 151.9 | 54% | 0.538 | 80% | 0.804 | S | S | . | * | trans | -137 | 110.5 | 166.8 | -155.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 299 | V | 42.1 | Very low | 33.6 | Very low | 129 Ų | 129 | 154.6 Ų | 154.6 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | trans | -62.2 | 149.8 | 153.4 | 179.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 300 | Y | 28 | Very low | 33.5 | Very low | 218 Ų | 218 | 156.2 Ų | 156.2 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -145.5 | 138.6 | 156.9 | -142.7 | -87.6 | 0 | 0 | 0 | 109.3 | ||||
| 301 | D | 30.5 | Very low | 33.7 | Very low | 116 Ų | 116 | 157.6 Ų | 157.6 | 62% | 0.62 | 81% | 0.805 | S | S | * | * | trans | -115.8 | 137.1 | -170.7 | -162.1 | 32.8 | 0 | 0 | 0 | 109 | L303 | D301-L303 PolarHBondContact O-N 3Š| ||
| 302 | P | 43.6 | Very low | 33.6 | Very low | 114 Ų | 114 | 153 Ų | 153 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | trans | -96.7 | 89.4 | -164 | 35.7 | -31.6 | 0 | 0 | 0 | 112.9 | ||||
| 303 | L | 42.4 | Very low | 33.6 | Very low | 155 Ų | 155 | 147.3 Ų | 147.3 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -138.3 | 87.5 | 174.7 | -71.2 | 176.7 | 0 | 0 | 0 | 112.8 | D301 | D301-L303 PolarHBondContact O-N 3Š| ||
| 304 | L | 39.4 | Very low | 33.8 | Very low | 173 Ų | 173 | 144.1 Ų | 144.1 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -176.9 | 86.5 | 140 | -170.4 | 69.7 | 0 | 0 | 0 | 112 | ||||
| 305 | E | 34.8 | Very low | 34.1 | Very low | 191 Ų | 191 | 142 Ų | 142 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -153.7 | 88.5 | 160.9 | -159.6 | 164.9 | -165.9 | 0 | 0 | 111.8 | ||||
| 306 | S | 35.7 | Very low | 34 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -166.1 | 129.1 | 169.6 | -78.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 307 | G | 28.3 | Very low | 34.5 | Very low | 75 Ų | 75 | 134.8 Ų | 134.8 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | 96.9 | 111.3 | -169 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 308 | L | 36.5 | Very low | 34.9 | Very low | 152 Ų | 152 | 137.2 Ų | 137.2 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | cis | 90.1 | 135.8 | 29.5 | -157.7 | 75.1 | 0 | 0 | 0 | 113.5 | ||||
| 309 | F | 31.4 | Very low | 35.2 | Very low | 185 Ų | 185 | 139.2 Ų | 139.2 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | 69.7 | 153.7 | -171.5 | -58.8 | -82.2 | 0 | 0 | 0 | 115.7 | ||||
| 310 | D | 31.2 | Very low | 35.3 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | cis | -157.9 | 177.3 | -40.1 | -155.1 | -11.5 | 0 | 0 | 0 | 108.1 | ||||
| 311 | A | 35.5 | Very low | 36.3 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -88.8 | 147.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 312 | G | 28.5 | Very low | 37.2 | Very low | 74 Ų | 74 | 132 Ų | 132 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | 128.7 | 122.4 | 144.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 313 | S | 32.1 | Very low | 37.6 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | 55.9 | 88.2 | 141.4 | -169.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 314 | L | 34.2 | Very low | 37.9 | Very low | 175 Ų | 175 | 129.9 Ų | 129.9 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | -144.4 | 130.6 | 118.5 | -160.2 | 72.3 | 0 | 0 | 0 | 109.7 | |||||
| 315 | E | 36 | Very low | 38.4 | Very low | 192 Ų | 192 | 127.9 Ų | 127.9 | 90% | 0.897 | 75% | 0.75 | S | S | * | * | trans | -79.5 | 135.9 | -178 | -65.2 | -172.2 | 117.5 | 0 | 0 | 112.2 | ||||
| 316 | A | 33.1 | Very low | 39 | Very low | 89 Ų | 89 | 127 Ų | 127 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | trans | -129.9 | 116.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | M318 | A316-M318 PolarHBondContact O-N 3.16Š| ||
| 317 | S | 37.9 | Very low | 39.5 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | trans | -40.4 | 113.3 | -171.9 | 177.6 | 0 | 0 | 0 | 0 | 114.3 | D319 | S317-D319 PolarHBondContact O-N 3.42Š| ||
| 318 | M | 39.7 | Very low | 40.5 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 82% | 0.823 | 73% | 0.729 | S | S | * | * | trans | -78.6 | 116.3 | 169.6 | -73.7 | -168.2 | 69.2 | 0 | 0 | 110.7 | A316 H320 | A316-M318 PolarHBondContact O-N 3.16Å; M318-H320 PolarHBondContact O-N 2.98Å | ||
| 319 | D | 37.6 | Very low | 41.1 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | trans | -63.1 | 100.8 | -178.5 | -85.5 | -44.3 | 0 | 0 | 0 | 113.3 | S317 T321 A322 | S317-D319 PolarHBondContact O-N 3.42Å; D319-T321 PolarHBondContact O-N 2.99Å; D319-A322 PolarHBondContact O-N 2.94Å | ||
| 320 | H | 44.1 | Very low | 41.7 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -63.3 | -11.4 | -177 | -145.9 | -53.6 | 0 | 0 | 0 | 113.8 | M318 | M318-H320 PolarHBondContact O-N 2.98Å |
| 321 | T | 50.4 | Low | 42.1 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 60% | 0.601 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -76.2 | -39.2 | 178.8 | 53 | 0 | 0 | 0 | 0 | 113.1 | D319 L323 Q324 L325 | D319-T321 PolarHBondContact O-N 2.99Å; T321-L323 VanDerWaalsContact C-N 3.33Å; T321-L323 PolarHBondContact O-N 3.24Å; T321-Q324 PolarHBondContact O-N 3.46Å; T321-Q324 VanDerWaalsContact O-N 3.14Å; T321-L325 PolarHBondContact O-N 2.95Å; T321-L325 VanDerWaalsContact O-N 3.16Å |
| 322 | A | 49.8 | Very low | 42.4 | Very low | 66 Ų | 66 | 135.3 Ų | 135.3 | 55% | 0.545 | 72% | 0.723 | S | S | . | * | H | α-helix | trans | -63.7 | -37.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D319 K326 | D319-A322 PolarHBondContact O-N 2.94Å; A322-K326 PolarHBondContact O-N 3.21Å |
| 323 | L | 51.6 | Low | 43.4 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 63% | 0.634 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -72.8 | -31.4 | 176.4 | -71.8 | 172.3 | 0 | 0 | 0 | 113 | T321 R327 | T321-L323 VanDerWaalsContact C-N 3.33Å; T321-L323 PolarHBondContact O-N 3.24Å; L323-R327 PolarHBondContact O-N 2.97Å |
| 324 | Q | 47.8 | Very low | 43.9 | Very low | 103 Ų | 103 | 144.4 Ų | 144.4 | 48% | 0.481 | 73% | 0.727 | S | S | . | * | H | α-helix | trans | -68.4 | -42.5 | 175.4 | -69.5 | -169.8 | 18.2 | 0 | 0 | 111.8 | T321 K326 R327 R328 | T321-Q324 PolarHBondContact O-N 3.46Å; T321-Q324 VanDerWaalsContact O-N 3.14Å; Q324-K326 VanDerWaalsContact C-N 3.27Å; Q324-K326 PolarHBondContact O-N 2.94Å; Q324-R327 PolarHBondContact O-N 3.5Å; Q324-R328 PolarHBondContact O-N 3.37Å |
| 325 | L | 49.3 | Very low | 44.2 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -62.5 | -36.3 | -178.4 | -147.8 | 76.3 | 0 | 0 | 0 | 111.9 | T321 | T321-L325 PolarHBondContact O-N 2.95Å; T321-L325 VanDerWaalsContact O-N 3.16Å |
| 326 | K | 49 | Very low | 44.2 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -74.7 | -29.7 | 178.6 | -154.7 | 167 | -176.1 | 174.8 | 0 | 113.2 | A322 Q324 | A322-K326 PolarHBondContact O-N 3.21Å; Q324-K326 VanDerWaalsContact C-N 3.27Å; Q324-K326 PolarHBondContact O-N 2.94Å |
| 327 | R | 46.4 | Very low | 44.4 | Very low | 181 Ų | 181 | 143.9 Ų | 143.9 | 68% | 0.683 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -73.4 | -45 | 173.6 | -161.9 | 179.4 | -60.6 | -161.5 | 1.9 | 111.7 | L323 Q324 R329 L330 E331 | L323-R327 PolarHBondContact O-N 2.97Å; Q324-R327 PolarHBondContact O-N 3.5Å; R327-R329 PolarHBondContact O-N 2.88Å; R327-R329 VanDerWaalsContact O-N 3.11Å; R327-L330 PolarHBondContact O-N 3.01Å; R327-E331 PolarHBondContact O-N 3.47Å |
| 328 | R | 49.3 | Very low | 44.3 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 68% | 0.683 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -59.8 | -24.8 | -179.4 | -156.7 | 179.2 | -60 | -145.8 | 3.2 | 113.5 | Q324 | Q324-R328 PolarHBondContact O-N 3.37Å |
| 329 | R | 49.3 | Very low | 44.1 | Very low | 232 Ų | 232 | 140.5 Ų | 140.5 | 88% | 0.875 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -84.9 | -6 | 178 | -150.7 | 174 | -169.2 | 152.3 | 3.5 | 114.6 | R327 | R327-R329 PolarHBondContact O-N 2.88Å; R327-R329 VanDerWaalsContact O-N 3.11Å |
| 330 | L | 43.7 | Very low | 43.8 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -109.6 | -29.4 | 178.7 | -167.6 | 64.9 | 0 | 0 | 0 | 112.7 | R327 G332 | R327-L330 PolarHBondContact O-N 3.01Å; L330-G332 VanDerWaalsContact C-N 3.34Å |
| 331 | E | 39.8 | Very low | 43.3 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -64.3 | -35.3 | 173.2 | -66 | -74.7 | 132.8 | 0 | 0 | 112.7 | R327 L333 R334 | R327-E331 PolarHBondContact O-N 3.47Å; E331-L333 PolarHBondContact O-N 3.33Å; E331-R334 PolarHBondContact O-N 3.25Å |
| 332 | G | 42 | Very low | 42.5 | Very low | 73 Ų | 73 | 135 Ų | 135 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 26.1 | -174 | 0 | 0 | 0 | 0 | 0 | 116.6 | L330 | L330-G332 VanDerWaalsContact C-N 3.34Š|
| 333 | L | 48.1 | Very low | 41.7 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.5 | 21.7 | 179.6 | -120.6 | 162.8 | 0 | 0 | 0 | 112.8 | E331 | E331-L333 PolarHBondContact O-N 3.33Š|
| 334 | R | 41.9 | Very low | 41.1 | Very low | 224 Ų | 224 | 141.9 Ų | 141.9 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -130.8 | 107.1 | 166 | -80.2 | -169.3 | 166.9 | -171.9 | -4.7 | 112.4 | E331 | E331-R334 PolarHBondContact O-N 3.25Š|
| 335 | L | 40.6 | Very low | 40.5 | Very low | 150 Ų | 150 | 144.9 Ų | 144.9 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | 46.8 | 106.5 | 148.5 | -57.8 | 173.7 | 0 | 0 | 0 | 117.9 | ||||
| 336 | T | 36.3 | Very low | 40 | Very low | 144 Ų | 144 | 146.4 Ų | 146.4 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -118.9 | 105.6 | 152.3 | 53.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 337 | D | 38.9 | Very low | 39.7 | Very low | 152 Ų | 152 | 141.8 Ų | 141.8 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -79.6 | 145.4 | 173.1 | -58.8 | -57.3 | 0 | 0 | 0 | 110.6 | ||||
| 338 | G | 34.5 | Very low | 39.4 | Very low | 72 Ų | 72 | 139.5 Ų | 139.5 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | trans | 131.3 | 97.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 339 | S | 35 | Very low | 38.8 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 94% | 0.937 | 81% | 0.807 | S | S | * | * | trans | 39.1 | 102 | 143.1 | -55.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 340 | G | 31.9 | Very low | 38.3 | Very low | 82 Ų | 82 | 132.7 Ų | 132.7 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -171.3 | 100.7 | 164 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 341 | G | 33.6 | Very low | 38.4 | Very low | 88 Ų | 88 | 130 Ų | 130 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | trans | -78.6 | 142.7 | -162.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 342 | G | 34.3 | Very low | 38.7 | Very low | 79 Ų | 79 | 130.6 Ų | 130.6 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | 111.1 | 94.2 | 134.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 343 | H | 31.7 | Very low | 39.1 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | -158.1 | 170.9 | 119.9 | -142.6 | -108.6 | 0 | 0 | 0 | 110 | |||||
| 344 | Y | 40.3 | Very low | 39.5 | Very low | 172 Ų | 172 | 130.7 Ų | 130.7 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | trans | -111.8 | 169.9 | -159.3 | 48.9 | -105.8 | 0 | 0 | 0 | 116.9 | ||||
| 345 | E | 35.4 | Very low | 40.3 | Very low | 165 Ų | 165 | 126.6 Ų | 126.6 | 77% | 0.771 | 79% | 0.788 | S | S | * | * | trans | 90.7 | 151.2 | 161 | -78.1 | -168 | 124.8 | 0 | 0 | 122.5 | ||||
| 346 | L | 37.7 | Very low | 41.7 | Very low | 164 Ų | 164 | 123.9 Ų | 123.9 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | trans | 53.6 | 70.5 | 179.3 | -95.8 | 61.8 | 0 | 0 | 0 | 117 | ||||
| 347 | G | 43 | Very low | 43.1 | Very low | 75 Ų | 75 | 123.7 Ų | 123.7 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -78.3 | 121.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 348 | V | 39.4 | Very low | 44.5 | Very low | 134 Ų | 134 | 123.6 Ų | 123.6 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -132.3 | 106.8 | 145.2 | 178.3 | 0 | 0 | 0 | 0 | 106.9 | A350 | V348-A350 PolarHBondContact O-N 3.13Å; V348-A350 VanDerWaalsContact O-N 3.15Å | ||
| 349 | Q | 36.6 | Very low | 46.5 | Very low | 179 Ų | 179 | 125.7 Ų | 125.7 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | trans | -62.3 | 118.7 | 168.3 | -127.4 | 83.9 | 13.3 | 0 | 0 | 107.6 | A351 | Q349-A351 PolarHBondContact O-N 2.97Š| ||
| 350 | A | 39.8 | Very low | 48.7 | Very low | 91 Ų | 91 | 126.3 Ų | 126.3 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | trans | -72.1 | 76.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110 | V348 L352 | V348-A350 PolarHBondContact O-N 3.13Å; V348-A350 VanDerWaalsContact O-N 3.15Å; A350-L352 VanDerWaalsContact C-N 3.34Å; A350-L352 PolarHBondContact O-N 3.38Å | ||
| 351 | A | 44.6 | Very low | 51.3 | Low | 91 Ų | 91 | 129.4 Ų | 129.4 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | trans | -64.3 | 94.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q349 | Q349-A351 PolarHBondContact O-N 2.97Š| ||
| 352 | L | 46.8 | Very low | 53.8 | Low | 154 Ų | 154 | 129.8 Ų | 129.8 | 81% | 0.806 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 134.6 | 166.9 | -67 | 172.5 | 0 | 0 | 0 | 108.1 | A350 | A350-L352 VanDerWaalsContact C-N 3.34Å; A350-L352 PolarHBondContact O-N 3.38Å |
| 353 | P | 50.2 | Low | 56.4 | Low | 112 Ų | 112 | 128.8 Ų | 128.8 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 133.5 | -179.7 | 24.4 | -33.6 | 0 | 0 | 0 | 108.8 | R355 | P353-R355 PolarHBondContact O-N 3.46Š|
| 354 | P | 57.9 | Low | 59.3 | Low | 122 Ų | 122 | 126.6 Ų | 126.6 | 79% | 0.792 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 126.9 | 179.4 | 24 | -33 | 0 | 0 | 0 | 108.5 | ||
| 355 | R | 58.6 | Low | 61.8 | Low | 139 Ų | 139 | 123.3 Ų | 123.3 | 53% | 0.525 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -53 | 133.2 | 173.6 | -77.5 | -174.9 | 164.9 | -178.6 | -7 | 108 | P353 L357 Y359 E363 | P353-R355 PolarHBondContact O-N 3.46Å; R355-L357 PolarHBondContact O-N 3.27Å; R355-Y359 VanDerWaalsContact NH1-CE1 3.26Å; R355-E363 IonicContact CZ-OE1 3.18Å; R355-E363 IonicContact NH1-OE1 2.76Å; R355-E363 PolarHBondContact NH1-OE1 3.06Å |
| 356 | P | 68.9 | Low | 64.5 | Low | 93 Ų | 93 | 119 Ų | 119 | 60% | 0.604 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 140.4 | 178.7 | -29.1 | 35.3 | 0 | 0 | 0 | 110.8 | E358 Y359 | P356-E358 PolarHBondContact O-N 3.25Å; P356-Y359 WeakPolarHBondContact O-CA 3.42Å; P356-Y359 VanDerWaalsContact O-CB 3.28Å; P356-Y359 WeakPolarHBondContact O-CB 3.48Å; P356-Y359 PolarHBondContact O-N 3.34Å |
| 357 | L | 67 | Low | 67.3 | Low | 139 Ų | 139 | 113.3 Ų | 113.3 | 73% | 0.728 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -53.8 | -35.1 | -173.1 | -64.9 | 171.7 | 0 | 0 | 0 | 112.3 | R355 Y359 R360 F361 | R355-L357 PolarHBondContact O-N 3.27Å; L357-Y359 VanDerWaalsContact C-N 3.3Å; L357-Y359 PolarHBondContact O-N 3.16Å; L357-R360 WeakPolarHBondContact O-CA 3.26Å; L357-R360 WeakPolarHBondContact O-CB 3.39Å; L357-R360 PolarHBondContact O-N 3.08Å; L357-F361 VanDerWaalsContact O-CD2 3.24Å; L357-F361 WeakPolarHBondContact O-CD2 3.39Å; L357-F361 PolarHBondContact O-N 3.06Å; L357-F361 VanDerWaalsContact O-N 3.12Å |
| 358 | E | 68.3 | Low | 69.8 | Low | 151 Ų | 151 | 114.4 Ų | 114.4 | 71% | 0.706 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -57 | -37.1 | 173.5 | -164 | 163.9 | -154.5 | 0 | 0 | 113.3 | P356 R360 F361 L362 | P356-E358 PolarHBondContact O-N 3.25Å; E358-R360 VanDerWaalsContact C-N 3.33Å; E358-R360 PolarHBondContact O-N 3.48Å; E358-F361 PolarHBondContact O-N 3.14Å; E358-L362 WeakPolarHBondContact O-CB 3.28Å; E358-L362 VanDerWaalsContact O-CG 3.28Å; E358-L362 WeakPolarHBondContact O-CG 3.45Å; E358-L362 PolarHBondContact O-N 3.3Å |
| 359 | Y | 76.2 | Confident | 72.4 | Confident | 115 Ų | 115 | 112.4 Ų | 112.4 | 45% | 0.451 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.8 | -31.5 | 173.2 | -160 | -75.7 | 0 | 0 | 0 | 112 | R355 P356 L357 L362 E363 | R355-Y359 VanDerWaalsContact NH1-CE1 3.26Å; P356-Y359 WeakPolarHBondContact O-CA 3.42Å; P356-Y359 VanDerWaalsContact O-CB 3.28Å; P356-Y359 WeakPolarHBondContact O-CB 3.48Å; P356-Y359 PolarHBondContact O-N 3.34Å; L357-Y359 VanDerWaalsContact C-N 3.3Å; L357-Y359 PolarHBondContact O-N 3.16Å; Y359-L362 PolarHBondContact O-N 3.01Å; Y359-E363 HydrophobicContact CD1-CG 3.74Å; Y359-E363 WeakPolarHBondContact CD1-OE1 3.22Å; Y359-E363 HydrophobicContact CE1-CG 3.67Å; Y359-E363 WeakPolarHBondContact CE1-OE1 3.35Å; Y359-E363 WeakPolarHBondContact O-CB 3.48Å; Y359-E363 WeakPolarHBondContact O-CG 3.45Å; Y359-E363 PolarHBondContact O-N 3.28Å |
| 360 | R | 80.9 | Confident | 75.2 | Confident | 148 Ų | 148 | 112.1 Ų | 112.1 | 56% | 0.558 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -70.1 | -41.4 | 176.1 | -67.6 | -72 | -64.9 | 136.9 | 5.2 | 111.5 | L357 E358 E363 E364 | L357-R360 WeakPolarHBondContact O-CA 3.26Å; L357-R360 WeakPolarHBondContact O-CB 3.39Å; L357-R360 PolarHBondContact O-N 3.08Å; E358-R360 VanDerWaalsContact C-N 3.33Å; E358-R360 PolarHBondContact O-N 3.48Å; R360-E363 WeakPolarHBondContact CD-OE2 3.33Å; R360-E363 IonicContact CZ-OE2 3.68Å; R360-E363 IonicContact NE-OE2 3.94Å; R360-E363 IonicContact NH1-OE2 2.69Å; R360-E363 PolarHBondContact NH1-OE2 3.38Å; R360-E363 PolarHBondContact O-N 2.9Å; R360-E364 PolarHBondContact O-N 2.57Å |
| 361 | F | 85.9 | Confident | 78 | Confident | 146 Ų | 146 | 114 Ų | 114 | 64% | 0.64 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.5 | -41.8 | 172 | -69.9 | -66.2 | 0 | 0 | 0 | 111.8 | L357 E358 E364 E365 | L357-F361 VanDerWaalsContact O-CD2 3.24Å; L357-F361 WeakPolarHBondContact O-CD2 3.39Å; L357-F361 PolarHBondContact O-N 3.06Å; L357-F361 VanDerWaalsContact O-N 3.12Å; E358-F361 PolarHBondContact O-N 3.14Å; F361-E364 PolarHBondContact O-N 3.24Å; F361-E365 WeakPolarHBondContact O-CB 3.4Å; F361-E365 PolarHBondContact O-N 2.94Å |
| 362 | L | 86.8 | Confident | 80.5 | Confident | 97 Ų | 97 | 116.4 Ų | 116.4 | 51% | 0.508 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.2 | -36.4 | 175.1 | -70.8 | 167.3 | 0 | 0 | 0 | 113 | E358 Y359 N366 | E358-L362 WeakPolarHBondContact O-CB 3.28Å; E358-L362 VanDerWaalsContact O-CG 3.28Å; E358-L362 WeakPolarHBondContact O-CG 3.45Å; E358-L362 PolarHBondContact O-N 3.3Å; Y359-L362 PolarHBondContact O-N 3.01Å; L362-N366 VanDerWaalsContact O-CB 3.22Å; L362-N366 WeakPolarHBondContact O-CB 3.14Å; L362-N366 PolarHBondContact O-N 2.94Å |
| 363 | E | 87.7 | Confident | 82.9 | Confident | 57 Ų | 57 | 112.7 Ų | 112.7 | 27% | 0.266 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 170.4 | -81.7 | 173.2 | 175.5 | 0 | 0 | 111.5 | R355 Y359 R360 S367 | R355-E363 IonicContact CZ-OE1 3.18Å; R355-E363 IonicContact NH1-OE1 2.76Å; R355-E363 PolarHBondContact NH1-OE1 3.06Å; Y359-E363 HydrophobicContact CD1-CG 3.74Å; Y359-E363 WeakPolarHBondContact CD1-OE1 3.22Å; Y359-E363 HydrophobicContact CE1-CG 3.67Å; Y359-E363 WeakPolarHBondContact CE1-OE1 3.35Å; Y359-E363 WeakPolarHBondContact O-CB 3.48Å; Y359-E363 WeakPolarHBondContact O-CG 3.45Å; Y359-E363 PolarHBondContact O-N 3.28Å; R360-E363 WeakPolarHBondContact CD-OE2 3.33Å; R360-E363 IonicContact CZ-OE2 3.68Å; R360-E363 IonicContact NE-OE2 3.94Å; R360-E363 IonicContact NH1-OE2 2.69Å; R360-E363 PolarHBondContact NH1-OE2 3.38Å; R360-E363 PolarHBondContact O-N 2.9Å; E363-S367 PolarHBondContact O-N 2.77Å |
| 364 | E | 92.9 | Very high | 85.2 | Confident | 115 Ų | 115 | 114.1 Ų | 114.1 | 54% | 0.537 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.6 | -48.5 | -179.4 | -178.2 | 159.3 | -146.2 | 0 | 0 | 112 | R360 F361 N366 S367 L368 | R360-E364 PolarHBondContact O-N 2.57Å; F361-E364 PolarHBondContact O-N 3.24Å; E364-N366 VanDerWaalsContact C-N 3.34Å; E364-N366 PolarHBondContact O-N 3.34Å; E364-S367 WeakPolarHBondContact O-CA 3.1Å; E364-S367 WeakPolarHBondContact O-CB 3.47Å; E364-S367 PolarHBondContact O-N 2.92Å; E364-S367 PolarHBondContact O-OG 2.93Å; E364-L368 HydrophobicContact CG-CD1 4.32Å; E364-L368 WeakPolarHBondContact O-CG 3.48Å; E364-L368 PolarHBondContact O-N 2.92Å |
| 365 | E | 93.6 | Very high | 87.1 | Confident | 103 Ų | 103 | 111.7 Ų | 111.7 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.5 | -45.8 | 174.4 | -169.6 | -167.4 | 176.6 | 0 | 0 | 111 | F361 S367 L368 L369 | F361-E365 WeakPolarHBondContact O-CB 3.4Å; F361-E365 PolarHBondContact O-N 2.94Å; E365-S367 PolarHBondContact O-N 3.27Å; E365-L368 PolarHBondContact O-N 2.82Å; E365-L368 VanDerWaalsContact O-N 3.1Å; E365-L369 HydrophobicContact CG-CD1 3.99Å; E365-L369 HydrophobicContact CG-CG 4.3Å; E365-L369 WeakPolarHBondContact O-CB 3.17Å; E365-L369 WeakPolarHBondContact O-CG 3.47Å; E365-L369 PolarHBondContact O-N 3.34Å |
| 366 | N | 90.9 | Very high | 88.9 | Confident | 74 Ų | 74 | 108.8 Ų | 108.8 | 40% | 0.396 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -30.5 | 177.2 | -148.6 | -97.7 | 0 | 0 | 0 | 111.9 | L362 E364 R370 | L362-N366 VanDerWaalsContact O-CB 3.22Å; L362-N366 WeakPolarHBondContact O-CB 3.14Å; L362-N366 PolarHBondContact O-N 2.94Å; E364-N366 VanDerWaalsContact C-N 3.34Å; E364-N366 PolarHBondContact O-N 3.34Å; N366-R370 WeakPolarHBondContact O-CB 3.45Å; N366-R370 VanDerWaalsContact O-CD 3.29Å; N366-R370 WeakPolarHBondContact O-CD 3.47Å; N366-R370 WeakPolarHBondContact O-CG 3.05Å; N366-R370 PolarHBondContact O-N 3.23Å; N366-R370 VanDerWaalsContact O-N 3.12Å; N366-R370 VanDerWaalsContact OD1-CZ 3.26Å; N366-R370 PolarHBondContact OD1-NE 3.26Å; N366-R370 PolarHBondContact OD1-NH2 3.46Å |
| 367 | S | 96.5 | Very high | 90.3 | Very high | 45 Ų | 45 | 111.3 Ų | 111.3 | 32% | 0.315 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.2 | -39.9 | 173 | 91.2 | 0 | 0 | 0 | 0 | 112.7 | E363 E364 E365 R370 K371 | E363-S367 PolarHBondContact O-N 2.77Å; E364-S367 WeakPolarHBondContact O-CA 3.1Å; E364-S367 WeakPolarHBondContact O-CB 3.47Å; E364-S367 PolarHBondContact O-N 2.92Å; E364-S367 PolarHBondContact O-OG 2.93Å; E365-S367 PolarHBondContact O-N 3.27Å; S367-R370 PolarHBondContact O-N 2.83Å; S367-K371 WeakPolarHBondContact O-CG 3.45Å; S367-K371 PolarHBondContact O-N 2.6Å |
| 368 | L | 96.9 | Very high | 91.8 | Very high | 97 Ų | 97 | 111.3 Ų | 111.3 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69 | -43.1 | 177.8 | -68.3 | 171.7 | 0 | 0 | 0 | 111.1 | E364 E365 R370 K371 R372 | E364-L368 HydrophobicContact CG-CD1 4.32Å; E364-L368 WeakPolarHBondContact O-CG 3.48Å; E364-L368 PolarHBondContact O-N 2.92Å; E365-L368 PolarHBondContact O-N 2.82Å; E365-L368 VanDerWaalsContact O-N 3.1Å; L368-R370 VanDerWaalsContact C-N 3.34Å; L368-R370 PolarHBondContact O-N 2.82Å; L368-K371 PolarHBondContact O-N 3.32Å; L368-R372 WeakPolarHBondContact O-CB 3.34Å; L368-R372 PolarHBondContact O-N 2.83Å |
| 369 | L | 94.4 | Very high | 93.2 | Very high | 93 Ų | 93 | 107.9 Ų | 107.9 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 173.7 | -70 | 171.6 | 0 | 0 | 0 | 111.6 | E365 R372 V373 | E365-L369 HydrophobicContact CG-CD1 3.99Å; E365-L369 HydrophobicContact CG-CG 4.3Å; E365-L369 WeakPolarHBondContact O-CB 3.17Å; E365-L369 WeakPolarHBondContact O-CG 3.47Å; E365-L369 PolarHBondContact O-N 3.34Å; L369-R372 PolarHBondContact O-N 3.02Å; L369-V373 WeakPolarHBondContact O-CG2 3.31Å; L369-V373 PolarHBondContact O-N 3.04Å |
| 370 | R | 95.2 | Very high | 94.2 | Very high | 172 Ų | 172 | 106.4 Ų | 106.4 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62 | -48.7 | 174 | -75.7 | 165.4 | -165.4 | -90.9 | -4.8 | 112.2 | N366 S367 L368 R372 V373 E374 | N366-R370 WeakPolarHBondContact O-CB 3.45Å; N366-R370 VanDerWaalsContact O-CD 3.29Å; N366-R370 WeakPolarHBondContact O-CD 3.47Å; N366-R370 WeakPolarHBondContact O-CG 3.05Å; N366-R370 PolarHBondContact O-N 3.23Å; N366-R370 VanDerWaalsContact O-N 3.12Å; N366-R370 VanDerWaalsContact OD1-CZ 3.26Å; N366-R370 PolarHBondContact OD1-NE 3.26Å; N366-R370 PolarHBondContact OD1-NH2 3.46Å; S367-R370 PolarHBondContact O-N 2.83Å; L368-R370 VanDerWaalsContact C-N 3.34Å; L368-R370 PolarHBondContact O-N 2.82Å; R370-R372 VanDerWaalsContact C-N 3.29Å; R370-R372 PolarHBondContact O-N 3.43Å; R370-V373 PolarHBondContact O-N 2.86Å; R370-E374 PolarHBondContact O-N 3.12Å |
| 371 | K | 97.8 | Very high | 95 | Very high | 130 Ų | 130 | 103 Ų | 103 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -57.6 | -41.3 | 174.5 | -71.3 | 167.5 | -179.7 | 172 | 0 | 111.6 | S367 L368 E374 E375 | S367-K371 WeakPolarHBondContact O-CG 3.45Å; S367-K371 PolarHBondContact O-N 2.6Å; L368-K371 PolarHBondContact O-N 3.32Å; K371-E374 PolarHBondContact O-N 3.31Å; K371-E375 PolarHBondContact O-N 3.11Å |
| 372 | R | 97 | Very high | 95.6 | Very high | 142 Ų | 142 | 101 Ų | 101 | 54% | 0.536 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.2 | -38.8 | 178.5 | -172.1 | 57.1 | 174.3 | 172 | 0.9 | 112.5 | L368 L369 R370 E374 L376 | L368-R372 WeakPolarHBondContact O-CB 3.34Å; L368-R372 PolarHBondContact O-N 2.83Å; L369-R372 PolarHBondContact O-N 3.02Å; R370-R372 VanDerWaalsContact C-N 3.29Å; R370-R372 PolarHBondContact O-N 3.43Å; R372-E374 VanDerWaalsContact C-N 3.35Å; R372-L376 HydrophobicContact CG-CD1 4.18Å; R372-L376 WeakPolarHBondContact O-CB 3.15Å; R372-L376 VanDerWaalsContact O-CG 3.22Å; R372-L376 WeakPolarHBondContact O-CG 3.44Å; R372-L376 PolarHBondContact O-N 3.13Å |
| 373 | V | 97.8 | Very high | 96.1 | Very high | 77 Ų | 77 | 101.2 Ų | 101.2 | 47% | 0.467 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 173.1 | 166.8 | 0 | 0 | 0 | 0 | 111.6 | L369 R370 K377 | L369-V373 WeakPolarHBondContact O-CG2 3.31Å; L369-V373 PolarHBondContact O-N 3.04Å; R370-V373 PolarHBondContact O-N 2.86Å; V373-K377 HydrophobicContact CG1-CD 4.31Å; V373-K377 WeakPolarHBondContact O-CB 3.43Å; V373-K377 VanDerWaalsContact O-CG 3.28Å; V373-K377 WeakPolarHBondContact O-CG 3.05Å; V373-K377 PolarHBondContact O-N 3.45Å |
| 374 | E | 97.8 | Very high | 96.5 | Very high | 141 Ų | 141 | 103.3 Ų | 103.3 | 66% | 0.659 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.2 | -45.6 | 176.8 | -174 | 159.5 | -128.2 | 0 | 0 | 112.3 | R370 K371 R372 L376 K377 K378 | R370-E374 PolarHBondContact O-N 3.12Å; K371-E374 PolarHBondContact O-N 3.31Å; R372-E374 VanDerWaalsContact C-N 3.35Å; E374-L376 PolarHBondContact O-N 3.3Å; E374-K377 WeakPolarHBondContact O-CB 3.36Å; E374-K377 PolarHBondContact O-N 2.69Å; E374-K378 PolarHBondContact O-N 3.44Å |
| 375 | E | 97.9 | Very high | 96.7 | Very high | 72 Ų | 72 | 100 Ų | 100 | 34% | 0.336 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 174 | 178 | 54.9 | -152.8 | 0 | 0 | 111.9 | K371 K377 K378 Q379 | K371-E375 PolarHBondContact O-N 3.11Å; E375-K377 PolarHBondContact O-N 2.76Å; E375-K378 WeakPolarHBondContact O-CB 3.49Å; E375-K378 PolarHBondContact O-N 3.16Å; E375-K378 IonicContact OE2-NZ 2.67Å; E375-Q379 WeakPolarHBondContact O-CG 3.29Å; E375-Q379 PolarHBondContact O-N 3Å; E375-Q379 WeakPolarHBondContact OE1-CG 3.39Å; E375-Q379 PolarHBondContact OE1-NE2 3.29Å |
| 376 | L | 97.3 | Very high | 96.8 | Very high | 77 Ų | 77 | 98 Ų | 98 | 40% | 0.403 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 173.9 | -74.4 | 169.6 | 0 | 0 | 0 | 112.3 | R372 E374 Q379 V380 | R372-L376 HydrophobicContact CG-CD1 4.18Å; R372-L376 WeakPolarHBondContact O-CB 3.15Å; R372-L376 VanDerWaalsContact O-CG 3.22Å; R372-L376 WeakPolarHBondContact O-CG 3.44Å; R372-L376 PolarHBondContact O-N 3.13Å; E374-L376 PolarHBondContact O-N 3.3Å; L376-Q379 PolarHBondContact O-N 3.47Å; L376-V380 WeakPolarHBondContact O-CG2 3.3Å; L376-V380 PolarHBondContact O-N 3.02Å |
| 377 | K | 97.6 | Very high | 97.1 | Very high | 147 Ų | 147 | 98.7 Ų | 98.7 | 64% | 0.639 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63 | -41.1 | 172.5 | -77.7 | 171.8 | 176.9 | -175.7 | 0 | 112 | V373 E374 E375 V380 S381 | V373-K377 HydrophobicContact CG1-CD 4.31Å; V373-K377 WeakPolarHBondContact O-CB 3.43Å; V373-K377 VanDerWaalsContact O-CG 3.28Å; V373-K377 WeakPolarHBondContact O-CG 3.05Å; V373-K377 PolarHBondContact O-N 3.45Å; E374-K377 WeakPolarHBondContact O-CB 3.36Å; E374-K377 PolarHBondContact O-N 2.69Å; E375-K377 PolarHBondContact O-N 2.76Å; K377-V380 PolarHBondContact O-N 3.26Å; K377-S381 WeakPolarHBondContact O-CB 3.44Å; K377-S381 PolarHBondContact O-N 3.03Å |
| 378 | K | 97.9 | Very high | 97.1 | Very high | 139 Ų | 139 | 102.9 Ų | 102.9 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.8 | -41.6 | 175.5 | -176.3 | -173.7 | 171.7 | -164.7 | 0 | 111.6 | E374 E375 S381 N382 | E374-K378 PolarHBondContact O-N 3.44Å; E375-K378 WeakPolarHBondContact O-CB 3.49Å; E375-K378 PolarHBondContact O-N 3.16Å; E375-K378 IonicContact OE2-NZ 2.67Å; K378-S381 PolarHBondContact O-N 3.36Å; K378-N382 WeakPolarHBondContact O-CB 3.49Å; K378-N382 PolarHBondContact O-N 3.2Å |
| 379 | Q | 98 | Very high | 97.1 | Very high | 79 Ų | 79 | 102.3 Ų | 102.3 | 37% | 0.369 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 174.8 | -70.7 | 174.7 | 11 | 0 | 0 | 111.9 | E375 L376 N382 L383 | E375-Q379 WeakPolarHBondContact O-CG 3.29Å; E375-Q379 PolarHBondContact O-N 3Å; E375-Q379 WeakPolarHBondContact OE1-CG 3.39Å; E375-Q379 PolarHBondContact OE1-NE2 3.29Å; L376-Q379 PolarHBondContact O-N 3.47Å; Q379-N382 PolarHBondContact O-N 3.45Å; Q379-L383 WeakPolarHBondContact O-CB 3.33Å; Q379-L383 WeakPolarHBondContact O-CG 3.38Å; Q379-L383 PolarHBondContact O-N 2.97Å |
| 380 | V | 97.6 | Very high | 97.2 | Very high | 83 Ų | 83 | 102.1 Ų | 102.1 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 172.8 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | L376 K377 N382 L383 I384 | L376-V380 WeakPolarHBondContact O-CG2 3.3Å; L376-V380 PolarHBondContact O-N 3.02Å; K377-V380 PolarHBondContact O-N 3.26Å; V380-N382 VanDerWaalsContact C-N 3.35Å; V380-N382 PolarHBondContact O-N 3.27Å; V380-L383 PolarHBondContact O-N 3.45Å; V380-I384 HydrophobicContact CG1-CD1 3.76Å; V380-I384 HydrophobicContact CG1-CG1 4.44Å; V380-I384 VanDerWaalsContact O-CG1 3.27Å; V380-I384 WeakPolarHBondContact O-CG1 3.43Å; V380-I384 PolarHBondContact O-N 2.93Å |
| 381 | S | 97.8 | Very high | 97.3 | Very high | 76 Ų | 76 | 99.8 Ų | 99.8 | 53% | 0.531 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 176.6 | -168.2 | 0 | 0 | 0 | 0 | 112.4 | K377 K378 I384 A385 | K377-S381 WeakPolarHBondContact O-CB 3.44Å; K377-S381 PolarHBondContact O-N 3.03Å; K378-S381 PolarHBondContact O-N 3.36Å; S381-I384 PolarHBondContact O-N 3.33Å; S381-A385 PolarHBondContact O-N 3.5Å |
| 382 | N | 97.8 | Very high | 97.2 | Very high | 106 Ų | 106 | 98.4 Ų | 98.4 | 57% | 0.567 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.7 | -42.5 | 176.5 | -169 | 37.1 | 0 | 0 | 0 | 111.4 | K378 Q379 V380 I384 A385 T386 | K378-N382 WeakPolarHBondContact O-CB 3.49Å; K378-N382 PolarHBondContact O-N 3.2Å; Q379-N382 PolarHBondContact O-N 3.45Å; V380-N382 VanDerWaalsContact C-N 3.35Å; V380-N382 PolarHBondContact O-N 3.27Å; N382-I384 VanDerWaalsContact C-N 3.32Å; N382-I384 PolarHBondContact O-N 2.71Å; N382-A385 PolarHBondContact O-N 3.02Å; N382-T386 WeakPolarHBondContact O-CG2 3.44Å; N382-T386 PolarHBondContact O-N 2.87Å; N382-T386 PolarHBondContact O-OG1 2.91Å |
| 383 | L | 97.4 | Very high | 97.1 | Very high | 101 Ų | 101 | 95.8 Ų | 95.8 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -34.9 | 174.9 | -74.5 | 167.7 | 0 | 0 | 0 | 112.5 | Q379 V380 T386 N387 | Q379-L383 WeakPolarHBondContact O-CB 3.33Å; Q379-L383 WeakPolarHBondContact O-CG 3.38Å; Q379-L383 PolarHBondContact O-N 2.97Å; V380-L383 PolarHBondContact O-N 3.45Å; L383-T386 WeakPolarHBondContact CA-OG1 3.22Å; L383-T386 PolarHBondContact O-OG1 3.42Å; L383-T386 VanDerWaalsContact O-OG1 3.1Å; L383-N387 WeakPolarHBondContact O-CB 3.12Å; L383-N387 PolarHBondContact O-N 3.06Å; L383-N387 PolarHBondContact O-ND2 3.1Å |
| 384 | I | 96.9 | Very high | 96.8 | Very high | 101 Ų | 101 | 96.4 Ų | 96.4 | 52% | 0.518 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -48.5 | 173.2 | -71.7 | 164.3 | 0 | 0 | 0 | 109.8 | V380 S381 N382 T386 N387 E388 | V380-I384 HydrophobicContact CG1-CD1 3.76Å; V380-I384 HydrophobicContact CG1-CG1 4.44Å; V380-I384 VanDerWaalsContact O-CG1 3.27Å; V380-I384 WeakPolarHBondContact O-CG1 3.43Å; V380-I384 PolarHBondContact O-N 2.93Å; S381-I384 PolarHBondContact O-N 3.33Å; N382-I384 VanDerWaalsContact C-N 3.32Å; N382-I384 PolarHBondContact O-N 2.71Å; I384-T386 PolarHBondContact O-N 3.25Å; I384-N387 PolarHBondContact O-N 2.84Å; I384-E388 PolarHBondContact O-N 3.33Å |
| 385 | A | 97.1 | Very high | 96.7 | Very high | 45 Ų | 45 | 92 Ų | 92 | 37% | 0.372 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | S381 N382 E388 V389 | S381-A385 PolarHBondContact O-N 3.5Å; N382-A385 PolarHBondContact O-N 3.02Å; A385-E388 PolarHBondContact O-N 3.11Å; A385-V389 WeakPolarHBondContact O-CG2 3.46Å; A385-V389 PolarHBondContact O-N 3.24Å |
| 386 | T | 96.1 | Very high | 96.4 | Very high | 62 Ų | 62 | 92.7 Ų | 92.7 | 38% | 0.38 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.9 | -36.9 | 174.8 | 57.8 | 0 | 0 | 0 | 0 | 112.3 | N382 L383 I384 L390 | N382-T386 WeakPolarHBondContact O-CG2 3.44Å; N382-T386 PolarHBondContact O-N 2.87Å; N382-T386 PolarHBondContact O-OG1 2.91Å; L383-T386 WeakPolarHBondContact CA-OG1 3.22Å; L383-T386 PolarHBondContact O-OG1 3.42Å; L383-T386 VanDerWaalsContact O-OG1 3.1Å; I384-T386 PolarHBondContact O-N 3.25Å; T386-L390 WeakPolarHBondContact O-CB 3.32Å; T386-L390 VanDerWaalsContact O-CG 3.24Å; T386-L390 WeakPolarHBondContact O-CG 3.46Å; T386-L390 PolarHBondContact O-N 2.7Å |
| 387 | N | 96.1 | Very high | 96.1 | Very high | 88 Ų | 88 | 95.2 Ų | 95.2 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 172.9 | -79.6 | -57.5 | 0 | 0 | 0 | 112 | L383 I384 L390 L391 | L383-N387 WeakPolarHBondContact O-CB 3.12Å; L383-N387 PolarHBondContact O-N 3.06Å; L383-N387 PolarHBondContact O-ND2 3.1Å; I384-N387 PolarHBondContact O-N 2.84Å; N387-L390 PolarHBondContact O-N 3.06Å; N387-L391 WeakPolarHBondContact O-CB 3.21Å; N387-L391 WeakPolarHBondContact O-CG 3.28Å; N387-L391 PolarHBondContact O-N 2.79Å |
| 388 | E | 97.6 | Very high | 95.6 | Very high | 133 Ų | 133 | 97.7 Ų | 97.7 | 62% | 0.621 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.9 | -48.4 | 175.7 | -173 | 174.2 | -173.6 | 0 | 0 | 111.5 | I384 A385 L390 L391 E392 | I384-E388 PolarHBondContact O-N 3.33Å; A385-E388 PolarHBondContact O-N 3.11Å; E388-L390 PolarHBondContact O-N 2.99Å; E388-L391 PolarHBondContact O-N 3.42Å; E388-E392 WeakPolarHBondContact O-CB 3.42Å; E388-E392 PolarHBondContact O-N 2.93Å |
| 389 | V | 96.9 | Very high | 94.9 | Very high | 84 Ų | 84 | 94 Ų | 94 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 174.8 | 172.7 | 0 | 0 | 0 | 0 | 112 | A385 E392 Q393 | A385-V389 WeakPolarHBondContact O-CG2 3.46Å; A385-V389 PolarHBondContact O-N 3.24Å; V389-E392 PolarHBondContact O-N 3.35Å; V389-Q393 WeakPolarHBondContact O-CB 3.29Å; V389-Q393 VanDerWaalsContact O-CG 3.32Å; V389-Q393 WeakPolarHBondContact O-CG 3.41Å; V389-Q393 PolarHBondContact O-N 3.27Å |
| 390 | L | 96.6 | Very high | 94 | Very high | 89 Ų | 89 | 95 Ų | 95 | 47% | 0.466 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69 | -34.9 | 177.3 | -72.3 | 170 | 0 | 0 | 0 | 112.5 | T386 N387 E388 N394 | T386-L390 WeakPolarHBondContact O-CB 3.32Å; T386-L390 VanDerWaalsContact O-CG 3.24Å; T386-L390 WeakPolarHBondContact O-CG 3.46Å; T386-L390 PolarHBondContact O-N 2.7Å; N387-L390 PolarHBondContact O-N 3.06Å; E388-L390 PolarHBondContact O-N 2.99Å; L390-N394 WeakPolarHBondContact O-CB 3.37Å; L390-N394 PolarHBondContact O-N 3.49Å; L390-N394 PolarHBondContact O-ND2 3.36Å |
| 391 | L | 96.1 | Very high | 92.8 | Very high | 123 Ų | 123 | 93.7 Ų | 93.7 | 64% | 0.644 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.4 | -43.7 | 174.6 | -75.9 | 166.9 | 0 | 0 | 0 | 111.1 | N387 E388 N394 A395 | N387-L391 WeakPolarHBondContact O-CB 3.21Å; N387-L391 WeakPolarHBondContact O-CG 3.28Å; N387-L391 PolarHBondContact O-N 2.79Å; E388-L391 PolarHBondContact O-N 3.42Å; L391-N394 PolarHBondContact O-N 2.86Å; L391-A395 PolarHBondContact O-N 2.97Å |
| 392 | E | 95.6 | Very high | 91.2 | Very high | 102 Ų | 102 | 97.1 Ų | 97.1 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 175.5 | 179 | 52.6 | -150.3 | 0 | 0 | 111.3 | E388 V389 N394 A395 Q396 | E388-E392 WeakPolarHBondContact O-CB 3.42Å; E388-E392 PolarHBondContact O-N 2.93Å; V389-E392 PolarHBondContact O-N 3.35Å; E392-N394 VanDerWaalsContact C-N 3.32Å; E392-N394 PolarHBondContact O-N 2.67Å; E392-A395 WeakPolarHBondContact O-CB 3.35Å; E392-A395 PolarHBondContact O-N 3.2Å; E392-A395 VanDerWaalsContact O-N 3.12Å; E392-Q396 WeakPolarHBondContact O-CG 3.47Å; E392-Q396 PolarHBondContact O-N 3.47Å; E392-Q396 WeakPolarHBondContact OE1-CG 3.2Å; E392-Q396 PolarHBondContact OE1-NE2 2.94Å |
| 393 | Q | 95.3 | Very high | 89.4 | Confident | 87 Ų | 87 | 96.6 Ų | 96.6 | 41% | 0.407 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.6 | -41.8 | 172 | -75.4 | 177.7 | -1.4 | 0 | 0 | 112.2 | V389 A395 Q396 F397 | V389-Q393 WeakPolarHBondContact O-CB 3.29Å; V389-Q393 VanDerWaalsContact O-CG 3.32Å; V389-Q393 WeakPolarHBondContact O-CG 3.41Å; V389-Q393 PolarHBondContact O-N 3.27Å; Q393-A395 VanDerWaalsContact C-N 3.34Å; Q393-A395 PolarHBondContact O-N 3.33Å; Q393-Q396 PolarHBondContact O-N 3.46Å; Q393-F397 HydrophobicContact CB-CE2 4.4Å; Q393-F397 WeakPolarHBondContact O-CD2 3.26Å; Q393-F397 PolarHBondContact O-N 3.06Å |
| 394 | N | 92.4 | Very high | 87.6 | Confident | 90 Ų | 90 | 98 Ų | 98 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.1 | -35.5 | 175 | -87.4 | -83.4 | 0 | 0 | 0 | 112.8 | L390 L391 E392 R398 | L390-N394 WeakPolarHBondContact O-CB 3.37Å; L390-N394 PolarHBondContact O-N 3.49Å; L390-N394 PolarHBondContact O-ND2 3.36Å; L391-N394 PolarHBondContact O-N 2.86Å; E392-N394 VanDerWaalsContact C-N 3.32Å; E392-N394 PolarHBondContact O-N 2.67Å; N394-R398 VanDerWaalsContact O-CG 3.28Å; N394-R398 WeakPolarHBondContact O-CG 3.28Å; N394-R398 PolarHBondContact O-N 3.06Å; N394-R398 VanDerWaalsContact O-N 3.16Å |
| 395 | A | 94.8 | Very high | 85.8 | Confident | 49 Ų | 49 | 98.4 Ų | 98.4 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L391 E392 Q393 R398 S399 | L391-A395 PolarHBondContact O-N 2.97Å; E392-A395 WeakPolarHBondContact O-CB 3.35Å; E392-A395 PolarHBondContact O-N 3.2Å; E392-A395 VanDerWaalsContact O-N 3.12Å; Q393-A395 VanDerWaalsContact C-N 3.34Å; Q393-A395 PolarHBondContact O-N 3.33Å; A395-R398 PolarHBondContact O-N 2.69Å; A395-S399 PolarHBondContact O-N 2.85Å |
| 396 | Q | 91.3 | Very high | 83.9 | Confident | 85 Ų | 85 | 102.7 Ų | 102.7 | 40% | 0.397 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67 | -38.8 | 176.6 | -70 | 177.2 | 15.6 | 0 | 0 | 113 | E392 Q393 R398 S399 Q400 | E392-Q396 WeakPolarHBondContact O-CG 3.47Å; E392-Q396 PolarHBondContact O-N 3.47Å; E392-Q396 WeakPolarHBondContact OE1-CG 3.2Å; E392-Q396 PolarHBondContact OE1-NE2 2.94Å; Q393-Q396 PolarHBondContact O-N 3.46Å; Q396-R398 VanDerWaalsContact C-N 3.33Å; Q396-R398 PolarHBondContact O-N 3.36Å; Q396-S399 WeakPolarHBondContact CA-OG 3.48Å; Q396-S399 PolarHBondContact O-N 3.09Å; Q396-S399 PolarHBondContact O-OG 3.05Å; Q396-Q400 WeakPolarHBondContact O-CB 3.43Å; Q396-Q400 VanDerWaalsContact O-CG 3.3Å; Q396-Q400 WeakPolarHBondContact O-CG 3.46Å; Q396-Q400 PolarHBondContact O-N 3.47Å |
| 397 | F | 90.9 | Very high | 81.7 | Confident | 131 Ų | 131 | 104.6 Ų | 104.6 | 58% | 0.575 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65 | -37.8 | 172.6 | -74.2 | -59.6 | 0 | 0 | 0 | 111.8 | Q393 A401 | Q393-F397 HydrophobicContact CB-CE2 4.4Å; Q393-F397 WeakPolarHBondContact O-CD2 3.26Å; Q393-F397 PolarHBondContact O-N 3.06Å; F397-A401 WeakPolarHBondContact O-CB 3.21Å; F397-A401 PolarHBondContact O-N 2.98Å |
| 398 | R | 88.2 | Confident | 79.4 | Confident | 198 Ų | 198 | 104.7 Ų | 104.7 | 75% | 0.747 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.4 | -36.3 | 174 | -72.7 | 171.6 | 177.1 | -166.8 | -1 | 112.7 | N394 A395 Q396 K402 | N394-R398 VanDerWaalsContact O-CG 3.28Å; N394-R398 WeakPolarHBondContact O-CG 3.28Å; N394-R398 PolarHBondContact O-N 3.06Å; N394-R398 VanDerWaalsContact O-N 3.16Å; A395-R398 PolarHBondContact O-N 2.69Å; Q396-R398 VanDerWaalsContact C-N 3.33Å; Q396-R398 PolarHBondContact O-N 3.36Å; R398-K402 PolarHBondContact O-N 3.25Å |
| 399 | S | 83.4 | Confident | 76.7 | Confident | 62 Ų | 62 | 104.7 Ų | 104.7 | 43% | 0.434 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -75.8 | -40.8 | 176 | 69.5 | 0 | 0 | 0 | 0 | 112.2 | A395 Q396 A401 K402 V403 | A395-S399 PolarHBondContact O-N 2.85Å; Q396-S399 WeakPolarHBondContact CA-OG 3.48Å; Q396-S399 PolarHBondContact O-N 3.09Å; Q396-S399 PolarHBondContact O-OG 3.05Å; S399-A401 PolarHBondContact O-N 3.43Å; S399-K402 CarbonylContact O-C 3.51Å; S399-K402 WeakPolarHBondContact O-CA 3.33Å; S399-K402 WeakPolarHBondContact O-CB 3.48Å; S399-K402 PolarHBondContact O-N 3.12Å; S399-V403 WeakPolarHBondContact O-CG2 3.24Å; S399-V403 PolarHBondContact O-N 2.89Å |
| 400 | Q | 79.1 | Confident | 74.3 | Confident | 99 Ų | 99 | 106.9 Ų | 106.9 | 46% | 0.463 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.5 | -43.2 | 175 | -74.8 | -179.6 | 53.8 | 0 | 0 | 112.1 | Q396 K402 V403 M404 | Q396-Q400 WeakPolarHBondContact O-CB 3.43Å; Q396-Q400 VanDerWaalsContact O-CG 3.3Å; Q396-Q400 WeakPolarHBondContact O-CG 3.46Å; Q396-Q400 PolarHBondContact O-N 3.47Å; Q400-K402 PolarHBondContact O-N 3.03Å; Q400-V403 PolarHBondContact O-N 3.05Å; Q400-M404 WeakPolarHBondContact O-CB 3.5Å; Q400-M404 WeakPolarHBondContact O-CG 3.44Å; Q400-M404 PolarHBondContact O-N 2.8Å |
| 401 | A | 70.9 | Confident | 71.2 | Confident | 56 Ų | 56 | 107.4 Ų | 107.4 | 46% | 0.463 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -58 | -33 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F397 S399 T405 | F397-A401 WeakPolarHBondContact O-CB 3.21Å; F397-A401 PolarHBondContact O-N 2.98Å; S399-A401 PolarHBondContact O-N 3.43Å; A401-T405 WeakPolarHBondContact O-CG2 3.45Å; A401-T405 PolarHBondContact O-N 3.38Å; A401-T405 PolarHBondContact O-OG1 3.35Å |
| 402 | K | 65.4 | Low | 69 | Low | 148 Ų | 148 | 107.4 Ų | 107.4 | 64% | 0.643 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -79.2 | -24.4 | 176.2 | -164.5 | 174.6 | -178.3 | -179 | 0 | 113.6 | R398 S399 Q400 T405 L406 | R398-K402 PolarHBondContact O-N 3.25Å; S399-K402 CarbonylContact O-C 3.51Å; S399-K402 WeakPolarHBondContact O-CA 3.33Å; S399-K402 WeakPolarHBondContact O-CB 3.48Å; S399-K402 PolarHBondContact O-N 3.12Å; Q400-K402 PolarHBondContact O-N 3.03Å; K402-T405 WeakPolarHBondContact CA-OG1 3.42Å; K402-T405 PolarHBondContact O-OG1 2.98Å; K402-L406 WeakPolarHBondContact O-CD1 3.42Å; K402-L406 VanDerWaalsContact O-CG 3.31Å; K402-L406 WeakPolarHBondContact O-CG 3.34Å |
| 403 | V | 59.2 | Low | 66.2 | Low | 96 Ų | 96 | 109 Ų | 109 | 58% | 0.582 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -82.5 | -43.5 | 174.2 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | S399 Q400 T405 L406 S407 | S399-V403 WeakPolarHBondContact O-CG2 3.24Å; S399-V403 PolarHBondContact O-N 2.89Å; Q400-V403 PolarHBondContact O-N 3.05Å; V403-T405 PolarHBondContact O-N 3.06Å; V403-L406 PolarHBondContact O-N 2.89Å; V403-S407 PolarHBondContact O-N 3.17Å; V403-S407 VanDerWaalsContact O-N 3.17Å |
| 404 | M | 60 | Low | 63.4 | Low | 131 Ų | 131 | 112 Ų | 112 | 65% | 0.645 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -61.1 | -31.4 | 177.7 | -69.8 | 168.8 | 66.6 | 0 | 0 | 112.7 | Q400 | Q400-M404 WeakPolarHBondContact O-CB 3.5Å; Q400-M404 WeakPolarHBondContact O-CG 3.44Å; Q400-M404 PolarHBondContact O-N 2.8Å |
| 405 | T | 59.7 | Low | 60.6 | Low | 108 Ų | 108 | 115 Ų | 115 | 66% | 0.663 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -14.7 | 175.3 | 43 | 0 | 0 | 0 | 0 | 114.2 | A401 K402 V403 | A401-T405 WeakPolarHBondContact O-CG2 3.45Å; A401-T405 PolarHBondContact O-N 3.38Å; A401-T405 PolarHBondContact O-OG1 3.35Å; K402-T405 WeakPolarHBondContact CA-OG1 3.42Å; K402-T405 PolarHBondContact O-OG1 2.98Å; V403-T405 PolarHBondContact O-N 3.06Å |
| 406 | L | 56.4 | Low | 57.6 | Low | 135 Ų | 135 | 119.4 Ų | 119.4 | 71% | 0.707 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -18.5 | 175.6 | -69.3 | 172.6 | 0 | 0 | 0 | 113.5 | K402 V403 S408 | K402-L406 WeakPolarHBondContact O-CD1 3.42Å; K402-L406 VanDerWaalsContact O-CG 3.31Å; K402-L406 WeakPolarHBondContact O-CG 3.34Å; V403-L406 PolarHBondContact O-N 2.89Å; L406-S408 VanDerWaalsContact C-N 3.27Å; L406-S408 PolarHBondContact O-N 2.61Å |
| 407 | S | 49.3 | Very low | 54.9 | Low | 102 Ų | 102 | 123.1 Ų | 123.1 | 71% | 0.713 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -84.5 | 14.5 | -176.6 | -167.1 | 0 | 0 | 0 | 0 | 114.9 | V403 | V403-S407 PolarHBondContact O-N 3.17Å; V403-S407 VanDerWaalsContact O-N 3.17Å |
| 408 | S | 47.3 | Very low | 52.2 | Low | 91 Ų | 91 | 121.2 Ų | 121.2 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | trans | -122.7 | 66.8 | -166.3 | -66 | 0 | 0 | 0 | 0 | 113.4 | L406 | L406-S408 VanDerWaalsContact C-N 3.27Å; L406-S408 PolarHBondContact O-N 2.61Å | ||
| 409 | T | 41.8 | Very low | 50.5 | Low | 133 Ų | 133 | 117.4 Ų | 117.4 | 82% | 0.816 | 70% | 0.696 | S | S | * | * | trans | -137.3 | 99.8 | 169.3 | 45.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 410 | P | 45.8 | Very low | 48.8 | Very low | 129 Ų | 129 | 120.5 Ų | 120.5 | 84% | 0.838 | 71% | 0.714 | S | S | * | * | trans | -92.3 | 134.8 | 168.2 | 33.8 | -29.7 | 0 | 0 | 0 | 111.4 | ||||
| 411 | A | 33.1 | Very low | 46.9 | Very low | 100 Ų | 100 | 122.9 Ų | 122.9 | 83% | 0.826 | 74% | 0.735 | S | S | * | * | trans | -135.3 | 126 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 412 | P | 49.5 | Very low | 45.1 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | trans | -103.1 | 139.9 | -172.2 | 36.1 | -31.8 | 0 | 0 | 0 | 113.9 | ||||
| 413 | T | 36.3 | Very low | 43.7 | Very low | 135 Ų | 135 | 121.2 Ų | 121.2 | 83% | 0.828 | 76% | 0.756 | S | S | * | * | trans | -165.6 | 125.9 | 145.1 | 23.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 414 | E | 36.3 | Very low | 42.4 | Very low | 150 Ų | 150 | 123.7 Ų | 123.7 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | 61.3 | 114.3 | 135.5 | -59.5 | -91.3 | 65.2 | 0 | 0 | 122.4 | ||||
| 415 | Q | 34.3 | Very low | 41.1 | Very low | 155 Ų | 155 | 122.8 Ų | 122.8 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | 72.6 | 103.9 | 128.4 | -66.6 | -174.3 | 46.5 | 0 | 0 | 123.8 | |||||
| 416 | N | 31.1 | Very low | 40 | Very low | 141 Ų | 141 | 121.7 Ų | 121.7 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | 106.6 | 143.4 | 113.5 | -155 | 20.8 | 0 | 0 | 0 | 120.9 | |||||
| 417 | L | 33.9 | Very low | 38.9 | Very low | 162 Ų | 162 | 126.2 Ų | 126.2 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | 61.7 | 169.2 | 173.7 | -107.1 | 65.3 | 0 | 0 | 0 | 118.9 | ||||
| 418 | A | 34.8 | Very low | 38.3 | Very low | 92 Ų | 92 | 127.6 Ų | 127.6 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | -128.7 | -165.7 | -156.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 419 | P | 53.3 | Low | 38 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | -89.8 | 175.4 | -120.9 | 42.5 | -35.6 | 0 | 0 | 0 | 115.1 | |||||
| 420 | P | 47.1 | Very low | 37.5 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | -142.2 | 175 | 105.3 | 39.3 | -26.5 | 0 | 0 | 0 | 116.6 | |||||
| 421 | V | 38.9 | Very low | 37 | Very low | 149 Ų | 149 | 130.8 Ų | 130.8 | 90% | 0.903 | 78% | 0.78 | S | S | * | * | trans | -59.2 | 142.8 | -177.2 | -174.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 422 | G | 32.4 | Very low | 36.9 | Very low | 67 Ų | 67 | 130.6 Ų | 130.6 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | trans | -167.9 | 94 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 423 | A | 37.1 | Very low | 36.2 | Very low | 102 Ų | 102 | 132 Ų | 132 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | 24.1 | 105 | 161.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 424 | V | 32.1 | Very low | 35.9 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | trans | -104.9 | 110.5 | 151.8 | -174.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 425 | S | 32.4 | Very low | 35.8 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -78.5 | 125.7 | 178.6 | -163.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 426 | S | 36.5 | Very low | 35.8 | Very low | 85 Ų | 85 | 132.3 Ų | 132.3 | 59% | 0.594 | 79% | 0.786 | S | S | * | * | trans | -73.6 | 130 | 178.4 | 179.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 427 | Y | 33 | Very low | 36 | Very low | 229 Ų | 229 | 131 Ų | 131 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | -135.7 | 95.8 | 150.9 | -108.7 | -81.1 | 0 | 0 | 0 | 109.9 | ||||
| 428 | N | 38 | Very low | 35.8 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | -74.6 | 150.5 | 158.4 | -81.9 | -97.8 | 0 | 0 | 0 | 108.8 | ||||
| 429 | H | 40.9 | Very low | 35.7 | Very low | 176 Ų | 176 | 133 Ų | 133 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | -123.4 | 139.9 | 137.9 | -154.6 | -75.8 | 0 | 0 | 0 | 109.5 | ||||
| 430 | S | 30.7 | Very low | 34.9 | Very low | 88 Ų | 88 | 133.1 Ų | 133.1 | 62% | 0.615 | 79% | 0.794 | S | S | * | * | trans | -76.8 | 138.3 | -166.8 | 43.7 | 0 | 0 | 0 | 0 | 113.4 | A432 | S430-A432 PolarHBondContact O-N 3.43Š| ||
| 431 | I | 34.2 | Very low | 34.3 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | trans | -77.3 | 104.1 | 155 | -65.1 | 169.3 | 0 | 0 | 0 | 106.6 | Q433 | I431-Q433 HydrophobicContact CG2-CG 4.37Å; I431-Q433 PolarHBondContact O-N 3.15Å | ||
| 432 | A | 32.5 | Very low | 33.9 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | -76.5 | 108.2 | 168 | 0 | 0 | 0 | 0 | 0 | 108.8 | S430 | S430-A432 PolarHBondContact O-N 3.43Š| ||
| 433 | Q | 34.5 | Very low | 33.8 | Very low | 152 Ų | 152 | 133.9 Ų | 133.9 | 71% | 0.71 | 80% | 0.797 | S | S | * | * | trans | -75.8 | 133.8 | 178.8 | -67.1 | 179.1 | -16.6 | 0 | 0 | 111.4 | I431 | I431-Q433 HydrophobicContact CG2-CG 4.37Å; I431-Q433 PolarHBondContact O-N 3.15Å | ||
| 434 | T | 29.4 | Very low | 33.6 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -126.7 | 145 | 142.5 | 49.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 435 | H | 35.1 | Very low | 33.6 | Very low | 156 Ų | 156 | 135.9 Ų | 135.9 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -91.3 | 131.2 | -157.1 | -59.3 | -101.2 | 0 | 0 | 0 | 113.9 | ||||
| 436 | T | 32.9 | Very low | 33.4 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -137 | 129.9 | 140.6 | -53.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 437 | T | 36.5 | Very low | 33.3 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | -94.6 | 129.1 | -170.2 | 50.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 438 | L | 28.9 | Very low | 33 | Very low | 177 Ų | 177 | 139 Ų | 139 | 93% | 0.927 | 80% | 0.797 | S | S | * | * | trans | -131.6 | 123.1 | 153.7 | -86.7 | 172.7 | 0 | 0 | 0 | 109.4 | ||||
| 439 | S | 32.3 | Very low | 32.6 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -84.2 | 133.6 | -173.7 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 440 | S | 37.9 | Very low | 31.9 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -132.5 | 99.8 | 163.9 | -69.4 | 0 | 0 | 0 | 0 | 108.2 | G442 | S440-G442 PolarHBondContact O-N 2.78Å; S440-G442 VanDerWaalsContact O-N 3.12Å | ||
| 441 | A | 34.1 | Very low | 31.9 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 88% | 0.884 | 81% | 0.807 | S | S | * | * | trans | -73.7 | 102.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 442 | G | 30.7 | Very low | 31.5 | Very low | 65 Ų | 65 | 140.5 Ų | 140.5 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | trans | -76.2 | 132.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111 | S440 | S440-G442 PolarHBondContact O-N 2.78Å; S440-G442 VanDerWaalsContact O-N 3.12Å | ||
| 443 | M | 29.9 | Very low | 31.4 | Very low | 186 Ų | 186 | 142.5 Ų | 142.5 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | -122.3 | 123.9 | 161.9 | -85.9 | -69.5 | 134.6 | 0 | 0 | 108.8 | ||||
| 444 | Q | 33.4 | Very low | 31.3 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -86.4 | 152.6 | -177 | -74.8 | -76.8 | -23.1 | 0 | 0 | 111.1 | ||||
| 445 | P | 30.5 | Very low | 31.2 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | trans | -81.6 | 146.8 | -176.5 | 33.1 | -34.7 | 0 | 0 | 0 | 113.2 | ||||
| 446 | R | 29.6 | Very low | 31.6 | Very low | 246 Ų | 246 | 136.9 Ų | 136.9 | 93% | 0.928 | 80% | 0.797 | S | S | * | * | trans | -148.8 | 162.4 | 161.9 | -103.9 | -157.9 | 155.7 | -177.2 | -6.1 | 110.2 | ||||
| 447 | P | 34.7 | Very low | 31.4 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | -120.2 | 155.9 | -133.7 | 16.8 | 6.2 | 0 | 0 | 0 | 116.8 | ||||
| 448 | V | 26.5 | Very low | 31.1 | Very low | 137 Ų | 137 | 135 Ų | 135 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | 49.4 | 113.2 | 144.7 | -175.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 449 | T | 30.2 | Very low | 30.9 | Very low | 149 Ų | 149 | 131.2 Ų | 131.2 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | trans | -143.6 | 177 | 135.6 | 30.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 450 | Q | 26.1 | Very low | 31.4 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 73% | 0.729 | 79% | 0.794 | S | S | * | * | trans | -115.4 | 178.8 | -161.8 | -168.2 | -177.4 | 32.7 | 0 | 0 | 111.7 | ||||
| 451 | Q | 30.6 | Very low | 31 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | trans | 71.5 | 149.1 | 175.3 | -72.4 | 83.8 | 30 | 0 | 0 | 117.1 | ||||
| 452 | D | 25.7 | Very low | 30.8 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | cis | -165 | 170.7 | -31.3 | -149.8 | -15.6 | 0 | 0 | 0 | 110.5 | ||||
| 453 | L | 29.6 | Very low | 31.4 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 72% | 0.723 | 79% | 0.792 | S | S | * | * | trans | 62.6 | 127 | 151.6 | -74.6 | 156.7 | 0 | 0 | 0 | 122.6 | ||||
| 454 | V | 32.6 | Very low | 32.4 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | trans | 81.4 | 124.2 | 139.1 | 175.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 455 | A | 27.7 | Very low | 32.3 | Very low | 88 Ų | 88 | 125 Ų | 125 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -109 | 169.7 | 156.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 456 | P | 43.5 | Very low | 32.2 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | -153.9 | 171 | 87.1 | 40.8 | -21.9 | 0 | 0 | 0 | 117.9 | |||||
| 457 | T | 27.6 | Very low | 32.2 | Very low | 139 Ų | 139 | 120.1 Ų | 120.1 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -12 | 142.4 | 160.6 | 54.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 458 | G | 30.5 | Very low | 32 | Very low | 84 Ų | 84 | 119.3 Ų | 119.3 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | -165.6 | 108.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 459 | A | 25.9 | Very low | 33.1 | Very low | 97 Ų | 97 | 118.6 Ų | 118.6 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -125.2 | 159.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 460 | P | 43.2 | Very low | 34.2 | Very low | 121 Ų | 121 | 116.4 Ų | 116.4 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | -156.5 | -169.7 | 57.2 | 43.4 | -21.4 | 0 | 0 | 0 | 117.6 | |||||
| 461 | A | 28.3 | Very low | 34.3 | Very low | 98 Ų | 98 | 115.1 Ų | 115.1 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | 79.3 | 133.5 | 145.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 462 | A | 29.5 | Very low | 34.5 | Very low | 91 Ų | 91 | 112.6 Ų | 112.6 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | -109.7 | 167.5 | 152.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 463 | P | 43 | Very low | 35.2 | Very low | 121 Ų | 121 | 111.8 Ų | 111.8 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | -157.8 | -148.7 | 84 | 41.7 | -18.6 | 0 | 0 | 0 | 112.6 | |||||
| 464 | P | 52.7 | Low | 36.1 | Very low | 102 Ų | 102 | 110.7 Ų | 110.7 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | cis | -129.8 | 178.5 | -49.1 | 26.2 | -5.1 | 0 | 0 | 0 | 116 | ||||
| 465 | T | 30.1 | Very low | 36.9 | Very low | 112 Ų | 112 | 109.9 Ų | 109.9 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | trans | 75.6 | 125.1 | 140.1 | 39.5 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 466 | N | 29.5 | Very low | 36.9 | Very low | 153 Ų | 153 | 113.6 Ų | 113.6 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | 116.9 | 144.6 | 117.6 | -86.5 | -15.8 | 0 | 0 | 0 | 122.6 | |||||
| 467 | A | 29 | Very low | 36.4 | Very low | 104 Ų | 104 | 115.3 Ų | 115.3 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | 84.2 | 145.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 468 | A | 30.7 | Very low | 36.5 | Very low | 92 Ų | 92 | 114.8 Ų | 114.8 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | trans | -165.9 | -178 | 176.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 469 | P | 50.2 | Low | 36.9 | Very low | 121 Ų | 121 | 115.8 Ų | 115.8 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | cis | -115.2 | -115.4 | -6.8 | 23.3 | 3.8 | 0 | 0 | 0 | 108.9 | ||||
| 470 | P | 52.8 | Low | 37 | Very low | 103 Ų | 103 | 120.1 Ų | 120.1 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | cis | -138 | -175.5 | -28.3 | 34 | -11 | 0 | 0 | 0 | 117.5 | ||||
| 471 | T | 28.7 | Very low | 36.7 | Very low | 129 Ų | 129 | 121.2 Ų | 121.2 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | 86.3 | 110.3 | 148 | 12.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 472 | A | 32.8 | Very low | 36.9 | Very low | 93 Ų | 93 | 122.6 Ų | 122.6 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | 82.5 | 152.1 | 131.7 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 473 | P | 41.8 | Very low | 37.9 | Very low | 117 Ų | 117 | 123.5 Ų | 123.5 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | trans | -109.8 | -159 | -177 | 46.5 | -36.6 | 0 | 0 | 0 | 112.2 | ||||
| 474 | P | 47.1 | Very low | 37.3 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | cis | -129.2 | -133.7 | -3.5 | 38.5 | -14 | 0 | 0 | 0 | 111.1 | ||||
| 475 | P | 49.4 | Very low | 36.1 | Very low | 112 Ų | 112 | 127 Ų | 127 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | cis | -137.5 | 161.6 | -24 | 37.5 | -17.7 | 0 | 0 | 0 | 118.9 | ||||
| 476 | H | 28.3 | Very low | 36.1 | Very low | 167 Ų | 167 | 126.7 Ų | 126.7 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | 26.1 | 120.1 | 135.4 | -167.1 | -125 | 0 | 0 | 0 | 123.1 | ||||
| 477 | L | 32.9 | Very low | 36.1 | Very low | 152 Ų | 152 | 124.1 Ų | 124.1 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | 179.2 | 168.4 | 118.2 | -100.6 | 174.5 | 0 | 0 | 0 | 117 | |||||
| 478 | N | 29.5 | Very low | 36.1 | Very low | 127 Ų | 127 | 127 Ų | 127 | 68% | 0.679 | 78% | 0.779 | S | S | * | * | trans | -78 | 153.1 | -172.2 | 178.3 | 69.5 | 0 | 0 | 0 | 116.5 | ||||
| 479 | P | 40.3 | Very low | 36.1 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | trans | -106.4 | 127.2 | 161.5 | 35.7 | -25.8 | 0 | 0 | 0 | 113.7 | ||||
| 480 | E | 27.6 | Very low | 35.5 | Very low | 188 Ų | 188 | 129 Ų | 129 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | trans | -77.2 | 169.1 | 162.4 | -113.3 | -176.6 | 115.8 | 0 | 0 | 111.7 | ||||
| 481 | I | 35.5 | Very low | 34.4 | Very low | 143 Ų | 143 | 129.2 Ų | 129.2 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -130.8 | 151.4 | -172.9 | -38.4 | 179.3 | 0 | 0 | 0 | 111 | ||||
| 482 | T | 33.9 | Very low | 34.6 | Very low | 128 Ų | 128 | 131 Ų | 131 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 93.5 | 163.9 | 163.2 | 82 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 483 | P | 49.9 | Very low | 34.4 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | -140.8 | 159.7 | -82.8 | 39.1 | -21.2 | 0 | 0 | 0 | 115.7 | |||||
| 484 | L | 29.8 | Very low | 34 | Very low | 182 Ų | 182 | 134.4 Ų | 134.4 | 95% | 0.953 | 78% | 0.783 | S | S | * | * | trans | -142.7 | 162.1 | 158.6 | -77.7 | -177.8 | 0 | 0 | 0 | 111.8 | ||||
| 485 | S | 27.5 | Very low | 33.1 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -151.5 | 157.1 | -156.1 | 57 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 486 | A | 30 | Very low | 32.2 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | 80.8 | 103.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 487 | A | 30.5 | Very low | 32.4 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -166.5 | 131.9 | 141.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 488 | L | 29.8 | Very low | 32.7 | Very low | 165 Ų | 165 | 131.2 Ų | 131.2 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | cis | 91.2 | 102.5 | 20.1 | -155.3 | 154.8 | 0 | 0 | 0 | 114.5 | ||||
| 489 | A | 30.1 | Very low | 33.3 | Very low | 81 Ų | 81 | 131.1 Ų | 131.1 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | 69.3 | 150.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 490 | Q | 36.8 | Very low | 32.8 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | cis | -164.8 | 161.6 | -1 | -127.8 | 172.9 | 36.5 | 0 | 0 | 112.9 | ||||
| 491 | T | 30.2 | Very low | 32.9 | Very low | 107 Ų | 107 | 129 Ų | 129 | 66% | 0.656 | 80% | 0.799 | S | S | * | * | trans | 81.7 | 110.1 | 138.2 | -61.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 492 | I | 31.9 | Very low | 32.7 | Very low | 166 Ų | 166 | 131.1 Ų | 131.1 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | 79.7 | 149.7 | 141.3 | -68.9 | 174 | 0 | 0 | 0 | 122.1 | ||||
| 493 | A | 29.5 | Very low | 32.6 | Very low | 86 Ų | 86 | 129.2 Ų | 129.2 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -80 | 177.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 494 | Q | 33.4 | Very low | 31.7 | Very low | 196 Ų | 196 | 133.4 Ų | 133.4 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | cis | -143.3 | 168.2 | 24 | -56.2 | 160.5 | -10.7 | 0 | 0 | 108.1 | ||||
| 495 | G | 28.4 | Very low | 31.6 | Very low | 64 Ų | 64 | 131.3 Ų | 131.3 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | cis | 176.9 | -155.3 | 7.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 496 | M | 30.3 | Very low | 31.9 | Very low | 202 Ų | 202 | 130 Ų | 130 | 100% | 0.995 | 81% | 0.806 | S | S | * | * | trans | 81.2 | 151 | -177.3 | -51.1 | -58.7 | 179.1 | 0 | 0 | 117.4 | ||||
| 497 | A | 32.8 | Very low | 31.7 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -139.1 | -175.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 498 | P | 39.8 | Very low | 31.6 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | cis | -127.6 | -171.9 | 12.6 | 45.2 | -26.9 | 0 | 0 | 0 | 113.6 | ||||
| 499 | P | 40.7 | Very low | 31.7 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | trans | -96.5 | 166 | -161.2 | 38.2 | -35.7 | 0 | 0 | 0 | 115.6 | ||||
| 500 | V | 30.2 | Very low | 31.7 | Very low | 147 Ų | 147 | 131.6 Ų | 131.6 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -132.3 | 140 | 167.6 | -170.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 501 | S | 29.8 | Very low | 31.6 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | trans | -91 | 153.2 | 178.1 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 502 | M | 32.5 | Very low | 31.5 | Very low | 187 Ų | 187 | 131.1 Ų | 131.1 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -138 | 141.7 | 157.9 | -92.2 | -58.6 | -162.9 | 0 | 0 | 111.4 | ||||
| 503 | A | 31 | Very low | 31.4 | Very low | 89 Ų | 89 | 127.7 Ų | 127.7 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 163.3 | -166 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 504 | Q | 30.9 | Very low | 31.3 | Very low | 197 Ų | 197 | 130.3 Ų | 130.3 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 136.1 | 168.9 | -65.2 | -178.9 | -7.9 | 0 | 0 | 110.2 | ||
| 505 | V | 28.6 | Very low | 31.2 | Very low | 139 Ų | 139 | 125.8 Ų | 125.8 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -87 | 122.7 | 179.7 | 176.8 | 0 | 0 | 0 | 0 | 109.9 | ||
| 506 | A | 32 | Very low | 31.3 | Very low | 88 Ų | 88 | 130.7 Ų | 130.7 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | trans | -107.4 | 129 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 507 | V | 27.6 | Very low | 31.4 | Very low | 136 Ų | 136 | 127.6 Ų | 127.6 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -95.1 | 117.1 | 174.2 | 177.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 508 | S | 28.3 | Very low | 31.5 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -112.2 | 132 | 178.3 | -63.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 509 | V | 31.8 | Very low | 31.8 | Very low | 143 Ų | 143 | 132 Ų | 132 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | -106.3 | 126.8 | 170.1 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 510 | A | 29.1 | Very low | 31.5 | Very low | 91 Ų | 91 | 133.8 Ų | 133.8 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 144.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 511 | P | 35.9 | Very low | 32.1 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 158 | 157.3 | 34.7 | -29.9 | 0 | 0 | 0 | 111.7 | ||
| 512 | V | 27.3 | Very low | 32.1 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 144.3 | -175.1 | 175.6 | 0 | 0 | 0 | 0 | 112 | ||
| 513 | A | 29 | Very low | 32 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 78% | 0.777 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 144.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 514 | V | 28.7 | Very low | 32.1 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -129.1 | 139.2 | 162.8 | -178.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 515 | S | 30.3 | Very low | 32.2 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | trans | -129 | 133.2 | -166.7 | -179 | 0 | 0 | 0 | 0 | 112 | ||||
| 516 | M | 31.4 | Very low | 32.4 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 82% | 0.823 | 81% | 0.809 | S | S | * | * | trans | -150.1 | 113.8 | 165.1 | -70.8 | -59.9 | 163.5 | 0 | 0 | 111.3 | ||||
| 517 | T | 32.6 | Very low | 32.6 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | trans | 48.4 | 140.1 | 146.2 | 49.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 518 | Q | 34.6 | Very low | 32.9 | Very low | 183 Ų | 183 | 131.5 Ų | 131.5 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -78 | 176.9 | 171.8 | -69.1 | -178.8 | -12.4 | 0 | 0 | 113.1 | ||||
| 519 | P | 46 | Very low | 33.8 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | cis | -138.1 | -180 | 13.6 | 38.8 | -17 | 0 | 0 | 0 | 119.6 | ||||
| 520 | I | 33.2 | Very low | 34.2 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 82% | 0.821 | 81% | 0.809 | S | S | * | * | trans | -49.2 | 158.7 | 168.1 | -71.5 | 168 | 0 | 0 | 0 | 113.9 | ||||
| 521 | P | 43 | Very low | 34.8 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | cis | -130.7 | 173.5 | 15.2 | 26.7 | -3.4 | 0 | 0 | 0 | 117.7 | ||||
| 522 | G | 29.9 | Very low | 34.8 | Very low | 79 Ų | 79 | 135.6 Ų | 135.6 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | trans | 171.4 | 100.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 523 | I | 30.2 | Very low | 35.3 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | -44.3 | 158.9 | 175.4 | -17.5 | 173.6 | 0 | 0 | 0 | 118.4 | ||||
| 524 | T | 33.9 | Very low | 35.7 | Very low | 137 Ų | 137 | 135.3 Ų | 135.3 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | 97.2 | 141 | 158.1 | 70.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 525 | M | 33.3 | Very low | 36.1 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | trans | -114.9 | 131.2 | 178.3 | -90.1 | -72.5 | -64.2 | 0 | 0 | 109.6 | H527 | M525-H527 VanDerWaalsContact CE-NE2 3.3Å; M525-H527 WeakPolarHBondContact CE-NE2 3.24Å | ||
| 526 | S | 32.6 | Very low | 36.6 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -131.6 | 100.7 | 174.5 | 47.8 | 0 | 0 | 0 | 0 | 111.1 | A528 | S526-A528 PolarHBondContact O-N 2.55Š| ||
| 527 | H | 36.8 | Very low | 36.9 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | trans | -76.2 | 114.5 | 170 | -82.1 | -79.4 | 0 | 0 | 0 | 110.1 | M525 | M525-H527 VanDerWaalsContact CE-NE2 3.3Å; M525-H527 WeakPolarHBondContact CE-NE2 3.24Å | ||
| 528 | A | 33.5 | Very low | 37.1 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -80.9 | 133.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | S526 | S526-A528 PolarHBondContact O-N 2.55Š| ||
| 529 | T | 47.2 | Very low | 37.4 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -95 | 137 | -174.9 | -49.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 530 | T | 39.1 | Very low | 37.1 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 80% | 0.798 | 81% | 0.807 | S | S | * | * | trans | -121.8 | 140.9 | 161.9 | 51.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 531 | P | 41.7 | Very low | 37.4 | Very low | 124 Ų | 124 | 134 Ų | 134 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 144.3 | -166 | 33.1 | -35.7 | 0 | 0 | 0 | 113.7 | ||
| 532 | M | 37.6 | Very low | 37 | Very low | 176 Ų | 176 | 136.1 Ų | 136.1 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 137.9 | 165.3 | -76.5 | -101.7 | 60.2 | 0 | 0 | 110.7 | ||
| 533 | V | 37.4 | Very low | 37.5 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 133.6 | 176.6 | 178.2 | 0 | 0 | 0 | 0 | 110.2 | ||
| 534 | S | 36.9 | Very low | 38 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -110.6 | 136.7 | 178.3 | -171.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 535 | Y | 37.2 | Very low | 38.4 | Very low | 203 Ų | 203 | 143 Ų | 143 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | -103.7 | 129.9 | 173.2 | -75.2 | -86.8 | 0 | 0 | 0 | 110 | ||||
| 536 | P | 41.4 | Very low | 39.1 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -78.5 | 125.7 | -179.9 | 30.6 | -33.4 | 0 | 0 | 0 | 111.7 | ||||
| 537 | I | 37.7 | Very low | 39.1 | Very low | 167 Ų | 167 | 144 Ų | 144 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -90.5 | 113.2 | 166 | -60.3 | 176.6 | 0 | 0 | 0 | 107.8 | S539 | I537-S539 PolarHBondContact O-N 2.8Š| ||
| 538 | A | 35.8 | Very low | 39.8 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -78.2 | 110.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 539 | S | 42.1 | Very low | 40 | Very low | 111 Ų | 111 | 148.4 Ų | 148.4 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | trans | -103.2 | 104.4 | 171.4 | -174 | 0 | 0 | 0 | 0 | 109.9 | I537 | I537-S539 PolarHBondContact O-N 2.8Š| ||
| 540 | Q | 39.7 | Very low | 39.7 | Very low | 177 Ų | 177 | 149.3 Ų | 149.3 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | trans | -81.5 | 121.9 | 172.5 | -76.7 | -169.6 | -8.4 | 0 | 0 | 110.2 | ||||
| 541 | S | 37.9 | Very low | 39.7 | Very low | 101 Ų | 101 | 150.3 Ų | 150.3 | 71% | 0.706 | 82% | 0.822 | S | S | * | * | trans | -95.7 | 101.7 | 174.7 | 39.5 | 0 | 0 | 0 | 0 | 110.3 | R543 | S541-R543 PolarHBondContact O-N 3.12Š| ||
| 542 | M | 35.1 | Very low | 39.6 | Very low | 172 Ų | 172 | 151.8 Ų | 151.8 | 85% | 0.847 | 82% | 0.823 | S | S | * | * | trans | -71.1 | 96 | 174.3 | -73.9 | -67.6 | -79.5 | 0 | 0 | 110.3 | I544 | M542-I544 PolarHBondContact O-N 3.2Š| ||
| 543 | R | 41.2 | Very low | 39.7 | Very low | 229 Ų | 229 | 150.4 Ų | 150.4 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | trans | -75.2 | 110.4 | 170.5 | -69.2 | -175.9 | -179.5 | -180 | 0.1 | 109.7 | S541 | S541-R543 PolarHBondContact O-N 3.12Š| ||
| 544 | I | 39.5 | Very low | 39.9 | Very low | 164 Ų | 164 | 152.3 Ų | 152.3 | 84% | 0.841 | 83% | 0.826 | S | S | * | * | trans | -71.2 | 127.8 | 165.3 | -61.7 | 170.3 | 0 | 0 | 0 | 107.8 | M542 | M542-I544 PolarHBondContact O-N 3.2Š| ||
| 545 | T | 42.3 | Very low | 40.1 | Very low | 131 Ų | 131 | 155.1 Ų | 155.1 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -127.1 | 140.5 | 169.8 | -169 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 546 | T | 47.6 | Very low | 40.3 | Very low | 125 Ų | 125 | 151.6 Ų | 151.6 | 77% | 0.767 | 83% | 0.832 | S | S | * | * | trans | -92.4 | 162.1 | -173.6 | 48.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 547 | L | 33.7 | Very low | 40.2 | Very low | 161 Ų | 161 | 153.6 Ų | 153.6 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | trans | -53.2 | 152.6 | 175 | -61.1 | 166.4 | 0 | 0 | 0 | 112.3 | ||||
| 548 | P | 50.7 | Low | 40.4 | Very low | 113 Ų | 113 | 152.5 Ų | 152.5 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | -123.5 | 174.2 | 80.3 | 41 | -34.8 | 0 | 0 | 0 | 112.7 | |||||
| 549 | H | 38.8 | Very low | 40.8 | Very low | 247 Ų | 247 | 157.4 Ų | 157.4 | 100% | 1.144 | 83% | 0.832 | S | S | * | * | cis | -141.3 | 0 | 9.8 | -155.1 | -41 | 0 | 0 | 0 | 111.9 |
Retrieved 549 of 549 residues in 427.5 ms
(Link to these results)