| 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 | 43.3 | Very low | 51.2 | Low | 235 Ų | 235 | 129.5 Ų | 129.5 | 100% | 1.158 | 84% | 0.835 | S | S | * | * | 0 | 126.5 | 0 | -61.5 | 112.1 | 97.8 | 0 | 0 | 106.9 | |||||
| 2 | S | 48.7 | Very low | 50.8 | Low | 114 Ų | 114 | 126.9 Ų | 126.9 | 80% | 0.797 | 83% | 0.833 | S | S | * | * | cis | -152.8 | 169.7 | 4.3 | -71.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 3 | G | 47.3 | Very low | 50.3 | Low | 68 Ų | 68 | 123.5 Ų | 123.5 | 70% | 0.701 | 83% | 0.834 | S | S | * | * | trans | -60 | -172.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 4 | S | 53.4 | Low | 50.5 | Low | 94 Ų | 94 | 123.9 Ų | 123.9 | 66% | 0.657 | 83% | 0.831 | S | S | * | * | cis | -172.5 | 140.3 | 46.7 | -79.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 5 | R | 57.8 | Low | 50.5 | Low | 215 Ų | 215 | 123.8 Ų | 123.8 | 81% | 0.811 | 83% | 0.833 | S | S | * | * | trans | 19.5 | 118.7 | 142.4 | 42.9 | 176.6 | 152 | -110.2 | -10 | 120.9 | ||||
| 6 | Q | 54.2 | Low | 51.1 | Low | 195 Ų | 195 | 123.8 Ų | 123.8 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | 50.5 | 122.9 | 109.3 | -161.7 | 178.9 | 26 | 0 | 0 | 120.2 | |||||
| 7 | A | 51.6 | Low | 51.1 | Low | 107 Ų | 107 | 120.5 Ų | 120.5 | 88% | 0.884 | 82% | 0.823 | S | S | * | * | trans | -152.7 | 150.6 | 149.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 8 | G | 49.7 | Very low | 51 | Low | 76 Ų | 76 | 121.1 Ų | 121.1 | 78% | 0.784 | 83% | 0.829 | S | S | * | * | trans | -143.9 | 167.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 9 | S | 55.7 | Low | 51.1 | Low | 129 Ų | 129 | 121.2 Ų | 121.2 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | trans | -158.9 | 135.7 | 172.1 | 44.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 10 | G | 49.5 | Very low | 50.8 | Low | 72 Ų | 72 | 120.2 Ų | 120.2 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | trans | -107 | 164.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 11 | S | 51.5 | Low | 50.5 | Low | 119 Ų | 119 | 118.8 Ų | 118.8 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | -157.8 | 112.3 | 165.6 | -67.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 12 | A | 47.1 | Very low | 50.7 | Low | 99 Ų | 99 | 113.5 Ų | 113.5 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | 63 | 81.3 | 74.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 13 | G | 43.9 | Very low | 50.8 | Low | 82 Ų | 82 | 113.6 Ų | 113.6 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -101 | 109.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 14 | T | 52.8 | Low | 51.3 | Low | 129 Ų | 129 | 117.4 Ų | 117.4 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | trans | -91.1 | 135.6 | -175.9 | 42.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 15 | S | 51.7 | Low | 51.3 | Low | 123 Ų | 123 | 119.3 Ų | 119.3 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | trans | -72 | 141.9 | 160.8 | -52.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 16 | P | 59.8 | Low | 51 | Low | 123 Ų | 123 | 115.1 Ų | 115.1 | 80% | 0.799 | 83% | 0.834 | S | S | * | * | trans | -131.8 | 139.2 | 138.4 | 35.3 | -24.7 | 0 | 0 | 0 | 111.6 | ||||
| 17 | G | 50.8 | Low | 50.9 | Low | 68 Ų | 68 | 110 Ų | 110 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | trans | -108.3 | 144.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 18 | S | 49.8 | Very low | 51.1 | Low | 132 Ų | 132 | 111 Ų | 111 | 92% | 0.923 | 83% | 0.826 | S | S | * | * | trans | -177.3 | 149.4 | 145.2 | -82.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 19 | S | 51.6 | Low | 51.3 | Low | 123 Ų | 123 | 112.6 Ų | 112.6 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -81.7 | 155.1 | -171.6 | -39.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 20 | A | 45.5 | Very low | 51.1 | Low | 100 Ų | 100 | 112.2 Ų | 112.2 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | -174.4 | 133.2 | 127.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 21 | A | 45.3 | Very low | 51.4 | Low | 92 Ų | 92 | 116.9 Ų | 116.9 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | trans | 3 | 137.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 22 | S | 48.1 | Very low | 51.5 | Low | 124 Ų | 124 | 116.8 Ų | 116.8 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | -170.1 | 154.6 | 97.7 | -77.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 23 | S | 50.7 | Low | 51.6 | Low | 115 Ų | 115 | 117.2 Ų | 117.2 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -83.9 | 148.1 | -166.3 | -39.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 24 | V | 57.4 | Low | 52.1 | Low | 149 Ų | 149 | 119.2 Ų | 119.2 | 90% | 0.903 | 83% | 0.827 | S | S | * | * | trans | -137.1 | 137.7 | 140.3 | -75.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 25 | T | 51.8 | Low | 52.1 | Low | 134 Ų | 134 | 118.5 Ų | 118.5 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | trans | -80.8 | 138.8 | -177 | -49.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 26 | S | 53 | Low | 52.1 | Low | 126 Ų | 126 | 118.3 Ų | 118.3 | 88% | 0.881 | 82% | 0.823 | S | S | * | * | trans | -153.1 | 129 | 153.6 | -80.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 27 | A | 52.3 | Low | 52.1 | Low | 87 Ų | 87 | 117.9 Ų | 117.9 | 72% | 0.719 | 82% | 0.82 | S | S | * | * | trans | -88.3 | 153.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 28 | S | 54.4 | Low | 52.4 | Low | 128 Ų | 128 | 120.2 Ų | 120.2 | 90% | 0.895 | 82% | 0.823 | S | S | * | * | trans | -154.7 | 107.2 | 157.8 | -77.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 29 | S | 54.8 | Low | 53 | Low | 111 Ų | 111 | 119.9 Ų | 119.9 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | -84 | 131.2 | -174.2 | -49.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 30 | S | 52 | Low | 52.9 | Low | 121 Ų | 121 | 120.7 Ų | 120.7 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -156.8 | 89.9 | 154.8 | -79.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 31 | L | 54.5 | Low | 52.7 | Low | 170 Ų | 170 | 120.5 Ų | 120.5 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | trans | -83.4 | 112.1 | 174.5 | -80.5 | 161.4 | 0 | 0 | 0 | 109.6 | S33 | L31-S33 PolarHBondContact O-N 2.9Š| ||
| 32 | S | 53.9 | Low | 52.7 | Low | 117 Ų | 117 | 122.2 Ų | 122.2 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -58.6 | 128.3 | 166 | -49.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 33 | S | 48.5 | Very low | 52.7 | Low | 107 Ų | 107 | 122.3 Ų | 122.3 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | -151.7 | 94.2 | 169.6 | -75.8 | 0 | 0 | 0 | 0 | 110.3 | L31 P35 | L31-S33 PolarHBondContact O-N 2.9Å; S33-P35 WeakPolarHBondContact O-CD 3.31Å | ||
| 34 | S | 54.7 | Low | 52.3 | Low | 125 Ų | 125 | 121.2 Ų | 121.2 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -75.6 | 134.3 | 157.7 | -63.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 35 | P | 54.2 | Low | 51.6 | Low | 113 Ų | 113 | 118.8 Ų | 118.8 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -136.3 | 128.8 | 136.7 | 33.1 | -19.8 | 0 | 0 | 0 | 112.4 | S33 | S33-P35 WeakPolarHBondContact O-CD 3.31Š| ||
| 36 | S | 52.1 | Low | 51.1 | Low | 119 Ų | 119 | 117 Ų | 117 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -67.7 | 148.1 | 161.9 | -38.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 37 | P | 59 | Low | 50.7 | Low | 115 Ų | 115 | 119.6 Ų | 119.6 | 75% | 0.747 | 82% | 0.815 | S | S | * | * | trans | -136.9 | -173.4 | 142.6 | 46.2 | -33.5 | 0 | 0 | 0 | 110.3 | ||||
| 38 | P | 57.7 | Low | 50.3 | Low | 117 Ų | 117 | 121.6 Ų | 121.6 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | -126 | 172.1 | -111.2 | 22.7 | 3 | 0 | 0 | 0 | 115.4 | V40 | P38-V40 PolarHBondContact O-N 3.09Š| |||
| 39 | S | 60.6 | Low | 50.1 | Low | 124 Ų | 124 | 121.2 Ų | 121.2 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | -70.1 | 113.1 | 176.2 | -47.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 40 | V | 49.7 | Very low | 49.3 | Very low | 141 Ų | 141 | 120 Ų | 120 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | trans | -157.8 | 152.2 | 154.1 | -75.2 | 0 | 0 | 0 | 0 | 107.1 | P38 | P38-V40 PolarHBondContact O-N 3.09Š| ||
| 41 | A | 42.7 | Very low | 48.5 | Very low | 95 Ų | 95 | 117.8 Ų | 117.8 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | cis | -143.2 | 166.4 | 4.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 42 | V | 44.8 | Very low | 48 | Very low | 129 Ų | 129 | 116.9 Ų | 116.9 | 78% | 0.782 | 82% | 0.818 | S | S | * | * | trans | -62.3 | 144.9 | 165.1 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 43 | S | 47.4 | Very low | 47.3 | Very low | 125 Ų | 125 | 116.2 Ų | 116.2 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -160.5 | 135.4 | 141.9 | -82.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 44 | A | 43.7 | Very low | 47.1 | Very low | 92 Ų | 92 | 120.6 Ų | 120.6 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | trans | -126.5 | 179 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 45 | A | 41.1 | Very low | 46.5 | Very low | 99 Ų | 99 | 119.5 Ų | 119.5 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | 72.2 | 111.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 46 | A | 41.5 | Very low | 45.9 | Very low | 95 Ų | 95 | 119.3 Ų | 119.3 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | 88.7 | 116.4 | 53 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 47 | L | 45.4 | Very low | 45.3 | Very low | 181 Ų | 181 | 117.5 Ų | 117.5 | 95% | 0.948 | 84% | 0.835 | S | S | * | * | trans | -140 | 158.4 | 162.2 | -64.9 | 177.2 | 0 | 0 | 0 | 108.1 | ||||
| 48 | V | 44.5 | Very low | 44.9 | Very low | 129 Ų | 129 | 118 Ų | 118 | 78% | 0.782 | 84% | 0.841 | S | S | * | * | trans | -139.6 | 142.4 | -148.4 | 53.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 49 | S | 48.7 | Very low | 43.9 | Very low | 121 Ų | 121 | 116.3 Ų | 116.3 | 85% | 0.846 | 85% | 0.845 | S | S | * | * | trans | 70 | 143.9 | 159.1 | -71.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 50 | G | 38.1 | Very low | 42.8 | Very low | 85 Ų | 85 | 113.8 Ų | 113.8 | 88% | 0.876 | 84% | 0.839 | S | S | * | * | trans | 109.7 | 127.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 51 | G | 35.4 | Very low | 42.8 | Very low | 75 Ų | 75 | 115.9 Ų | 115.9 | 77% | 0.773 | 84% | 0.844 | S | S | * | * | cis | -175.5 | 169.5 | -3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 52 | V | 43.8 | Very low | 42.5 | Very low | 150 Ų | 150 | 115.2 Ų | 115.2 | 91% | 0.909 | 85% | 0.847 | S | S | * | * | trans | -15.3 | 135.6 | 172.3 | -64.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 53 | A | 40.4 | Very low | 42.5 | Very low | 104 Ų | 104 | 112.7 Ų | 112.7 | 86% | 0.86 | 85% | 0.847 | S | S | * | * | -169.8 | 119.2 | 128.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 54 | Q | 44.3 | Very low | 42.9 | Very low | 198 Ų | 198 | 112.5 Ų | 112.5 | 93% | 0.925 | 84% | 0.843 | S | S | * | * | trans | -90.7 | 145.7 | 155.6 | -71 | 175.2 | -11.4 | 0 | 0 | 108.4 | ||||
| 55 | A | 40.6 | Very low | 43 | Very low | 103 Ų | 103 | 115.3 Ų | 115.3 | 85% | 0.851 | 85% | 0.85 | S | S | * | * | trans | -149.4 | 114.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 56 | A | 43 | Very low | 43.8 | Very low | 109 Ų | 109 | 120.3 Ų | 120.3 | 90% | 0.901 | 85% | 0.848 | S | S | * | * | trans | -80.3 | 149.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 57 | G | 39 | Very low | 44.1 | Very low | 81 Ų | 81 | 121.1 Ų | 121.1 | 84% | 0.835 | 85% | 0.845 | S | S | * | * | trans | -159.7 | 107 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 58 | S | 49.9 | Very low | 44.1 | Very low | 124 Ų | 124 | 117.2 Ų | 117.2 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | trans | -128.2 | 149.8 | -176.5 | 45.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 59 | G | 36.7 | Very low | 44.3 | Very low | 83 Ų | 83 | 119.4 Ų | 119.4 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | trans | 87.6 | 149.5 | -170 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 60 | G | 39 | Very low | 44 | Very low | 71 Ų | 71 | 119.4 Ų | 119.4 | 73% | 0.732 | 83% | 0.83 | S | S | * | * | cis | 170.6 | 172.5 | -0.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 61 | L | 48 | Very low | 44.5 | Very low | 184 Ų | 184 | 119.6 Ų | 119.6 | 96% | 0.963 | 82% | 0.823 | S | S | * | * | cis | -149.6 | 152.9 | -1.3 | -65.2 | 168.1 | 0 | 0 | 0 | 106.5 | ||||
| 62 | G | 37.5 | Very low | 44.9 | Very low | 81 Ų | 81 | 121.9 Ų | 121.9 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | -155.1 | -0 | -166.6 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 63 | G | 44.6 | Very low | 44.8 | Very low | 77 Ų | 77 | 119.5 Ų | 119.5 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | 67.8 | 163 | 163.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 64 | P | 55.5 | Low | 44.9 | Very low | 121 Ų | 121 | 120.8 Ų | 120.8 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -120.4 | 153.5 | -164.7 | 39.5 | -26.4 | 0 | 0 | 0 | 115.7 | ||||
| 65 | V | 45.7 | Very low | 44.6 | Very low | 150 Ų | 150 | 117.1 Ų | 117.1 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -132.4 | 102.9 | 149.9 | -87.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 66 | R | 58.3 | Low | 44.5 | Very low | 205 Ų | 205 | 115.5 Ų | 115.5 | 77% | 0.774 | 81% | 0.807 | S | S | * | * | trans | -123.2 | 142.4 | 162.7 | -66.3 | -116.1 | 73.4 | -163.4 | 3.6 | 107.7 | V68 | R66-V68 HydrophobicContact CB-CG2 4.45Š| ||
| 67 | P | 48.6 | Very low | 44.6 | Very low | 111 Ų | 111 | 116.6 Ų | 116.6 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | -119.7 | 128.1 | 117.8 | 31.8 | -26.9 | 0 | 0 | 0 | 108.3 | |||||
| 68 | V | 45.3 | Very low | 44.5 | Very low | 99 Ų | 99 | 116.9 Ų | 116.9 | 60% | 0.6 | 81% | 0.811 | S | S | * | * | cis | 57.3 | 89.2 | 49.6 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | R66 V70 | R66-V68 HydrophobicContact CB-CG2 4.45Å; V68-V70 HydrophobicContact CG1-CG2 3.76Å; V68-V70 PolarHBondContact O-N 2.87Å | ||
| 69 | L | 48.4 | Very low | 43.8 | Very low | 176 Ų | 176 | 115.1 Ų | 115.1 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -87.4 | 79.1 | 176.2 | -63.4 | 164 | 0 | 0 | 0 | 108.8 | A71 | L69-A71 PolarHBondContact O-N 2.77Å; L69-A71 VanDerWaalsContact O-N 3.14Å | ||
| 70 | V | 42.5 | Very low | 43.7 | Very low | 121 Ų | 121 | 115.3 Ų | 115.3 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | -65 | 115.2 | 177.6 | 171.6 | 0 | 0 | 0 | 0 | 109.9 | V68 | V68-V70 HydrophobicContact CG1-CG2 3.76Å; V68-V70 PolarHBondContact O-N 2.87Å | ||
| 71 | A | 47.5 | Very low | 43.8 | Very low | 89 Ų | 89 | 116.4 Ų | 116.4 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 134.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110 | L69 | L69-A71 PolarHBondContact O-N 2.77Å; L69-A71 VanDerWaalsContact O-N 3.14Å |
| 72 | P | 44.7 | Very low | 43.6 | Very low | 122 Ų | 122 | 114.9 Ų | 114.9 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 152.8 | 162.5 | 33.9 | -30 | 0 | 0 | 0 | 111.6 | ||
| 73 | A | 40.7 | Very low | 44.1 | Very low | 101 Ų | 101 | 116.4 Ų | 116.4 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 173.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 74 | V | 42.9 | Very low | 44.1 | Very low | 131 Ų | 131 | 120.2 Ų | 120.2 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -64 | 144.8 | -178.6 | 58 | 0 | 0 | 0 | 0 | 115.2 | ||
| 75 | S | 39.1 | Very low | 43.6 | Very low | 120 Ų | 120 | 117.3 Ų | 117.3 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | 177.3 | 128.9 | 131.9 | -80.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 76 | G | 38.5 | Very low | 43.8 | Very low | 70 Ų | 70 | 118.3 Ų | 118.3 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | 99.9 | 98.2 | 128.7 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 77 | S | 44 | Very low | 43.2 | Very low | 132 Ų | 132 | 112.5 Ų | 112.5 | 92% | 0.923 | 80% | 0.802 | S | S | * | * | trans | 62.9 | 130.9 | 132.5 | -62.1 | 0 | 0 | 0 | 0 | 125 | ||||
| 78 | G | 36.6 | Very low | 43.4 | Very low | 87 Ų | 87 | 117.7 Ų | 117.7 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | 87.6 | 141.1 | 158.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 79 | G | 35.8 | Very low | 43.6 | Very low | 87 Ų | 87 | 120.8 Ų | 120.8 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | cis | 142.6 | 115.9 | 0.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 80 | G | 33.9 | Very low | 43.6 | Very low | 86 Ų | 86 | 118 Ų | 118 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | 148.9 | 127.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 81 | A | 42.4 | Very low | 43.7 | Very low | 94 Ų | 94 | 117.8 Ų | 117.8 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | trans | -107.5 | 152.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 82 | V | 42.2 | Very low | 43.5 | Very low | 153 Ų | 153 | 118 Ų | 118 | 93% | 0.927 | 82% | 0.815 | S | S | * | * | trans | -157.2 | 150.7 | 141.2 | -89.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 83 | S | 47.9 | Very low | 43.2 | Very low | 113 Ų | 113 | 116.9 Ų | 116.9 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -118.9 | 120.8 | -167.7 | -52 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 84 | T | 46.3 | Very low | 43.5 | Very low | 157 Ų | 157 | 123.1 Ų | 123.1 | 96% | 0.963 | 82% | 0.817 | S | S | * | * | trans | -177.7 | 138.9 | 151.6 | 17.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 85 | G | 44.3 | Very low | 44.1 | Very low | 59 Ų | 59 | 122 Ų | 122 | 61% | 0.608 | 81% | 0.813 | S | S | * | * | cis | 171.4 | 145.8 | -8.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 86 | L | 48.9 | Very low | 44.5 | Very low | 171 Ų | 171 | 121.7 Ų | 121.7 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | 64.8 | 143.6 | 174.5 | -69.8 | 72.1 | 0 | 0 | 0 | 115.8 | ||||
| 87 | S | 46.3 | Very low | 44.6 | Very low | 83 Ų | 83 | 123.6 Ų | 123.6 | 58% | 0.58 | 82% | 0.819 | S | S | * | * | cis | -158.9 | 138.9 | -1.6 | -131.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 88 | R | 52.7 | Low | 44.4 | Very low | 220 Ų | 220 | 120.4 Ų | 120.4 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | trans | 68.4 | 153.8 | 160.4 | -50.9 | 165.7 | 178.2 | -133.8 | -6.2 | 114 | ||||
| 89 | H | 49.4 | Very low | 44.6 | Very low | 164 Ų | 164 | 123.5 Ų | 123.5 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | cis | -144.3 | 149.6 | 17.6 | -43.5 | -111.5 | 0 | 0 | 0 | 110.6 | ||||
| 90 | S | 48.2 | Very low | 44.6 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | 68.1 | 105.9 | 160 | -54 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 91 | C | 45.5 | Very low | 44.9 | Very low | 118 Ų | 118 | 122.6 Ų | 122.6 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -54.2 | 143.5 | 161.7 | 48.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 92 | A | 43.3 | Very low | 45.1 | Very low | 94 Ų | 94 | 123.6 Ų | 123.6 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | 64.1 | 139.9 | 55.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 93 | A | 38.1 | Very low | 45.7 | Very low | 98 Ų | 98 | 121.5 Ų | 121.5 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | cis | -161.2 | 172.1 | -13.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 94 | R | 47.3 | Very low | 45.5 | Very low | 232 Ų | 232 | 121.9 Ų | 121.9 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | trans | -70.5 | 171.8 | 161.7 | -57.8 | 167.4 | 71.1 | -142.8 | 4.3 | 108.5 | ||||
| 95 | P | 55.7 | Low | 45.8 | Very low | 107 Ų | 107 | 119.4 Ų | 119.4 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | cis | -155 | -175 | 24.3 | 46.1 | -24.5 | 0 | 0 | 0 | 119.1 | ||||
| 96 | S | 46.6 | Very low | 46.2 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | 69.1 | 140.6 | 141.6 | -67 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 97 | A | 41.4 | Very low | 45.8 | Very low | 110 Ų | 110 | 121 Ų | 121 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | 81.1 | 138.3 | 149.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 98 | G | 38.9 | Very low | 46.1 | Very low | 66 Ų | 66 | 123.5 Ų | 123.5 | 68% | 0.68 | 82% | 0.817 | S | S | * | * | trans | 126.5 | 99.8 | 149.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 99 | V | 42 | Very low | 45.8 | Very low | 151 Ų | 151 | 116.4 Ų | 116.4 | 92% | 0.915 | 81% | 0.813 | S | S | * | * | trans | 34.1 | 145.4 | 132.7 | -56.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 100 | G | 35.8 | Very low | 46.2 | Very low | 81 Ų | 81 | 113.6 Ų | 113.6 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | 85.2 | 140.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 101 | G | 40.4 | Very low | 46.4 | Very low | 73 Ų | 73 | 118.6 Ų | 118.6 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | cis | 104.7 | 128 | 11.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 102 | S | 45.9 | Very low | 46.7 | Very low | 115 Ų | 115 | 123 Ų | 123 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | 78.7 | 95.3 | 168.5 | -52.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 103 | S | 55.1 | Low | 47 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | 25.3 | 124.1 | 118.2 | 60.5 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 104 | S | 44 | Very low | 47.5 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -146.8 | 94.1 | 149.7 | 61.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 105 | S | 52.2 | Low | 47.4 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | trans | -80 | 154.7 | 168.8 | -53.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 106 | L | 51.8 | Low | 47.5 | Very low | 178 Ų | 178 | 131 Ų | 131 | 93% | 0.932 | 83% | 0.832 | S | S | * | * | trans | 76.6 | 124.7 | 162.7 | -43.2 | 179 | 0 | 0 | 0 | 117.3 | ||||
| 107 | G | 40.8 | Very low | 48 | Very low | 85 Ų | 85 | 129.5 Ų | 129.5 | 88% | 0.876 | 83% | 0.825 | S | S | * | * | trans | 172.2 | 83 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 108 | S | 52.1 | Low | 48.3 | Very low | 135 Ų | 135 | 129.8 Ų | 129.8 | 94% | 0.944 | 82% | 0.818 | S | S | * | * | trans | -93 | 137 | -174 | -158.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 109 | G | 46.9 | Very low | 48.9 | Very low | 72 Ų | 72 | 134.1 Ų | 134.1 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | trans | 158.6 | 90.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 110 | S | 57.1 | Low | 49.3 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | trans | 78.6 | 120 | 135.7 | -115.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 111 | R | 54.3 | Low | 50.1 | Low | 223 Ų | 223 | 134.8 Ų | 134.8 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | trans | 81.3 | 80.9 | 147 | -55.8 | -174.4 | -64.9 | -124.9 | 5.1 | 120.7 | ||||
| 112 | K | 49.9 | Very low | 50.6 | Low | 210 Ų | 210 | 134.8 Ų | 134.8 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | 174.9 | 127.8 | 100.3 | -91.4 | 168.4 | -178 | -179.8 | 0 | 111.7 | |||||
| 113 | R | 50.8 | Low | 51.2 | Low | 243 Ų | 243 | 137.3 Ų | 137.3 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | trans | -83.8 | 167.8 | 162 | -81 | 174.7 | 156.2 | 163.7 | -8 | 108.9 | ||||
| 114 | P | 47.5 | Very low | 51.1 | Low | 113 Ų | 113 | 137.7 Ų | 137.7 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | cis | -132.6 | 130.2 | 7.5 | 35 | -15.8 | 0 | 0 | 0 | 114.5 | ||||
| 115 | L | 46.7 | Very low | 51.3 | Low | 176 Ų | 176 | 136.7 Ų | 136.7 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -113.2 | 123.4 | 149.9 | -73.8 | -176.5 | 0 | 0 | 0 | 108.9 | A117 | L115-A117 PolarHBondContact O-N 3.03Š| ||
| 116 | L | 57.7 | Low | 51 | Low | 168 Ų | 168 | 137.9 Ų | 137.9 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | trans | -70.5 | 78.3 | 178.6 | -170.1 | 82.4 | 0 | 0 | 0 | 108.6 | P118 | L116-P118 VanDerWaalsContact O-CD 3.31Å; L116-P118 WeakPolarHBondContact O-CD 3.36Å | ||
| 117 | A | 56.1 | Low | 51 | Low | 80 Ų | 80 | 134.3 Ų | 134.3 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | trans | -65.3 | 120.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | L115 L119 | L115-A117 PolarHBondContact O-N 3.03Å; A117-L119 PolarHBondContact O-N 3.09Å; A117-L119 VanDerWaalsContact O-N 3.09Å | ||
| 118 | P | 49.1 | Very low | 51.4 | Low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | trans | -56.9 | 121.4 | 170.6 | -22 | 34 | 0 | 0 | 0 | 107.7 | L116 C120 | L116-P118 VanDerWaalsContact O-CD 3.31Å; L116-P118 WeakPolarHBondContact O-CD 3.36Å; P118-C120 PolarHBondContact O-N 3.26Å | ||
| 119 | L | 50.3 | Low | 51.1 | Low | 158 Ų | 158 | 132.7 Ų | 132.7 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | trans | -62.1 | 97.4 | 163.3 | -69.6 | 167.6 | 0 | 0 | 0 | 105.6 | A117 N121 | A117-L119 PolarHBondContact O-N 3.09Å; A117-L119 VanDerWaalsContact O-N 3.09Å; L119-N121 PolarHBondContact O-N 2.91Å; L119-N121 PolarHBondContact O-OD1 3.08Å | ||
| 120 | C | 50.3 | Low | 51.3 | Low | 118 Ų | 118 | 135.4 Ų | 135.4 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | trans | -62.4 | 110.7 | 166.7 | 50.2 | 0 | 0 | 0 | 0 | 106.3 | P118 G122 | P118-C120 PolarHBondContact O-N 3.26Å; C120-G122 VanDerWaalsContact C-N 3.35Å; C120-G122 PolarHBondContact O-N 2.97Å | ||
| 121 | N | 53.4 | Low | 51.2 | Low | 127 Ų | 127 | 132.2 Ų | 132.2 | 68% | 0.679 | 70% | 0.704 | S | S | * | * | trans | -57 | 89.8 | -172.2 | -81.1 | 20.5 | 0 | 0 | 0 | 111.7 | L119 L123 I124 | L119-N121 PolarHBondContact O-N 2.91Å; L119-N121 PolarHBondContact O-OD1 3.08Å; N121-L123 PolarHBondContact O-N 2.94Å; N121-L123 VanDerWaalsContact O-N 3.09Å; N121-I124 HydrophobicContact CB-CD1 3.95Å | ||
| 122 | G | 51.4 | Low | 51.5 | Low | 74 Ų | 74 | 125.9 Ų | 125.9 | 76% | 0.763 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 23.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | C120 | C120-G122 VanDerWaalsContact C-N 3.35Å; C120-G122 PolarHBondContact O-N 2.97Å |
| 123 | L | 57.3 | Low | 52.2 | Low | 167 Ų | 167 | 121.6 Ų | 121.6 | 87% | 0.874 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.3 | 34.8 | -173.4 | -73.1 | -178.9 | 0 | 0 | 0 | 115.4 | N121 | N121-L123 PolarHBondContact O-N 2.94Å; N121-L123 VanDerWaalsContact O-N 3.09Å |
| 124 | I | 52.8 | Low | 53.2 | Low | 118 Ų | 118 | 111.5 Ų | 111.5 | 61% | 0.605 | 64% | 0.637 | S | S | * | * | trans | -150.1 | 112.8 | 154.1 | -11.3 | 68.2 | 0 | 0 | 0 | 104.6 | N121 | N121-I124 HydrophobicContact CB-CD1 3.95Š| ||
| 125 | N | 48.5 | Very low | 54.8 | Low | 101 Ų | 101 | 108.3 Ų | 108.3 | 54% | 0.54 | 62% | 0.615 | S | S | . | * | -164.9 | 103 | 68.5 | -80.5 | -8.3 | 0 | 0 | 0 | 110.5 | E128 | N125-E128 HydrophobicContact CB-CB 3.86Å; N125-E128 WeakPolarHBondContact ND2-CB 3.21Å | |||
| 126 | S | 46.1 | Very low | 56.6 | Low | 130 Ų | 130 | 99.9 Ų | 99.9 | 91% | 0.909 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -93.5 | 0.4 | 167.4 | -170 | 0 | 0 | 0 | 0 | 113.2 | ||
| 127 | Y | 52.1 | Low | 57.8 | Low | 103 Ų | 103 | 94.1 Ų | 94.1 | 40% | 0.404 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -114.8 | -38 | -177.6 | -165.4 | -97.8 | 0 | 0 | 0 | 112 | D129 I201 Q203 | Y127-D129 VanDerWaalsContact C-N 3.33Å; Y127-D129 PolarHBondContact O-N 3.14Å; Y127-D129 VanDerWaalsContact O-N 3.08Å; Y127-I201 HydrophobicContact CD1-CG2 4.4Å; Y127-I201 HydrophobicContact CE1-CG2 3.39Å; Y127-I201 HydrophobicContact CE2-CG2 4.46Å; Y127-I201 VanDerWaalsContact CZ-CG2 3.45Å; Y127-I201 WeakPolarHBondContact OH-CG2 3.5Å; Y127-Q203 VanDerWaalsContact OH-CD 3.29Å; Y127-Q203 PolarHBondContact OH-NE2 3.46Å |
| 128 | E | 48.1 | Very low | 59.2 | Low | 77 Ų | 77 | 93.4 Ų | 93.4 | 36% | 0.36 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 56.5 | -176.8 | -65 | -61.6 | 121.7 | 0 | 0 | 113.7 | N125 S131 N132 | N125-E128 HydrophobicContact CB-CB 3.86Å; N125-E128 WeakPolarHBondContact ND2-CB 3.21Å; E128-S131 WeakPolarHBondContact OE2-CB 3.36Å; E128-S131 PolarHBondContact OE2-OG 3.15Å; E128-N132 PolarHBondContact O-ND2 2.8Å |
| 129 | D | 47 | Very low | 61 | Low | 109 Ų | 109 | 90.2 Ų | 90.2 | 58% | 0.583 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | -32.7 | 171.2 | -173.1 | -121.6 | 0 | 0 | 0 | 111.3 | Y127 S131 N132 | Y127-D129 VanDerWaalsContact C-N 3.33Å; Y127-D129 PolarHBondContact O-N 3.14Å; Y127-D129 VanDerWaalsContact O-N 3.08Å; D129-S131 VanDerWaalsContact C-N 3.33Å; D129-S131 PolarHBondContact O-N 2.63Å; D129-N132 WeakPolarHBondContact CA-ND2 3.49Å; D129-N132 PolarHBondContact O-ND2 3.33Å; D129-N132 VanDerWaalsContact O-ND2 3.14Å |
| 130 | K | 50.8 | Low | 62.6 | Low | 129 Ų | 129 | 90.2 Ų | 90.2 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -83.7 | -5.4 | -177.4 | -69 | 72.3 | 174.4 | 166.6 | 0 | 113.4 | F134 | K130-F134 WeakPolarHBondContact O-CD2 3.36Å; K130-F134 VanDerWaalsContact O-CE2 3.3Å; K130-F134 WeakPolarHBondContact O-CE2 3.35Å |
| 131 | S | 56.1 | Low | 64.2 | Low | 36 Ų | 36 | 89.8 Ų | 89.8 | 25% | 0.252 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -87.9 | -29.1 | 177.7 | 39.7 | 0 | 0 | 0 | 0 | 112.4 | E128 D129 D133 F134 | E128-S131 WeakPolarHBondContact OE2-CB 3.36Å; E128-S131 PolarHBondContact OE2-OG 3.15Å; D129-S131 VanDerWaalsContact C-N 3.33Å; D129-S131 PolarHBondContact O-N 2.63Å; S131-D133 VanDerWaalsContact C-N 3.28Å; S131-D133 PolarHBondContact O-N 3.24Å; S131-F134 PolarHBondContact O-N 3.27Å |
| 132 | N | 59.2 | Low | 65.5 | Low | 90 Ų | 90 | 91 Ų | 91 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -64.2 | -27.2 | -174.8 | -56.5 | -75.9 | 0 | 0 | 0 | 114.1 | E128 D129 F134 V135 | E128-N132 PolarHBondContact O-ND2 2.8Å; D129-N132 WeakPolarHBondContact CA-ND2 3.49Å; D129-N132 PolarHBondContact O-ND2 3.33Å; D129-N132 VanDerWaalsContact O-ND2 3.14Å; N132-F134 PolarHBondContact O-N 3.27Å; N132-V135 PolarHBondContact O-N 3.05Å |
| 133 | D | 64.4 | Low | 66.9 | Low | 121 Ų | 121 | 87.8 Ų | 87.8 | 65% | 0.647 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -63.9 | -17.7 | 173.9 | -68.7 | -46.2 | 0 | 0 | 0 | 113.1 | S131 | S131-D133 VanDerWaalsContact C-N 3.28Å; S131-D133 PolarHBondContact O-N 3.24Å |
| 134 | F | 71.6 | Confident | 67.5 | Low | 31 Ų | 31 | 88.9 Ų | 88.9 | 14% | 0.136 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -108.9 | 6 | -179.7 | -51.6 | -75.9 | 0 | 0 | 0 | 112.7 | K130 S131 N132 M142 I143 I190 C205 | K130-F134 WeakPolarHBondContact O-CD2 3.36Å; K130-F134 VanDerWaalsContact O-CE2 3.3Å; K130-F134 WeakPolarHBondContact O-CE2 3.35Å; S131-F134 PolarHBondContact O-N 3.27Å; N132-F134 PolarHBondContact O-N 3.27Å; F134-M142 WeakPolarHBondContact O-CA 3.37Å; F134-I143 WeakPolarHBondContact O-CG1 3.42Å; F134-I143 PolarHBondContact O-N 2.73Å; F134-I190 HydrophobicContact CD1-CD1 3.91Å; F134-I190 HydrophobicContact CD1-CG1 3.95Å; F134-I190 HydrophobicContact CD1-CG2 4.14Å; F134-I190 HydrophobicContact CE1-CG1 4.26Å; F134-C205 HydrophobicContact CD1-CB 4.49Å; F134-C205 HydrophobicContact CE1-CB 3.75Å; F134-C205 HydrophobicContact CE2-CB 3.83Å; F134-C205 HydrophobicContact CZ-CB 3.4Å; F134-C205 VanDerWaalsContact CZ-CB 3.4Å |
| 135 | V | 82.1 | Confident | 68.7 | Low | 45 Ų | 45 | 88.3 Ų | 88.3 | 27% | 0.273 | 46% | 0.455 | S | S | . | . | B | Isolated β-bridge | trans | -95.4 | 130.5 | 178 | 175 | 0 | 0 | 0 | 0 | 110.3 | N132 F140 D141 | N132-V135 PolarHBondContact O-N 3.05Å; V135-F140 WeakPolarHBondContact CG1-O 3.3Å; V135-D141 WeakPolarHBondContact CA-O 3.43Å |
| 136 | C | 84.1 | Confident | 70.1 | Confident | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 44% | 0.435 | C | S | . | . | trans | -73.4 | 124.4 | 176.7 | -176 | 0 | 0 | 0 | 0 | 110.2 | I138 C139 F140 D141 I143 C156 | C136-I138 PolarHBondContact O-N 3.2Å; C136-C139 VanDerWaalsContact CB-SG 3.54Å; C136-F140 VanDerWaalsContact O-CA 3.22Å; C136-F140 WeakPolarHBondContact O-CA 3.22Å; C136-F140 PolarHBondContact O-N 2.99Å; C136-D141 PolarHBondContact N-O 3.18Å; C136-I143 HydrophobicContact CB-CD1 4.45Å; C136-I143 HydrophobicContact CB-CG1 3.79Å; C136-C156 WeakPolarHBondContact CB-SG 3.37Å | ||
| 137 | P | 82.8 | Confident | 71.8 | Confident | 47 Ų | 47 | 80.8 Ų | 80.8 | 31% | 0.305 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 5.4 | -179.6 | 32.8 | -39.4 | 0 | 0 | 0 | 114.3 | F155 | P137-F155 HydrophobicContact CG-CD1 3.68Å; P137-F155 HydrophobicContact CG-CE1 3.51Å |
| 138 | I | 85.2 | Confident | 73.2 | Confident | 65 Ų | 65 | 78.6 Ų | 78.6 | 33% | 0.333 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -49.7 | 179.7 | -57.9 | 166.4 | 0 | 0 | 0 | 110.4 | C136 F155 C159 P171 | C136-I138 PolarHBondContact O-N 3.2Å; I138-F155 HydrophobicContact CD1-CB 4.38Å; I138-F155 HydrophobicContact CD1-CD1 3.51Å; I138-F155 HydrophobicContact CD1-CE1 4.07Å; I138-F155 HydrophobicContact CD1-CG 4.15Å; I138-F155 HydrophobicContact CG1-CD1 3.98Å; I138-F155 HydrophobicContact CG1-CE1 4.35Å; I138-C159 HydrophobicContact CB-CB 3.94Å; I138-C159 HydrophobicContact CD1-CB 3.71Å; I138-C159 HydrophobicContact CG1-CB 4.42Å; I138-C159 HydrophobicContact CG2-CB 3.97Å; I138-P171 HydrophobicContact CD1-CG 3.8Å; I138-P171 HydrophobicContact CG1-CG 4.18Å |
| 139 | C | 86.7 | Confident | 74.7 | Confident | 48 Ų | 48 | 75.1 Ų | 75.1 | 32% | 0.324 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -10.2 | 178.3 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | C136 D141 | C136-C139 VanDerWaalsContact CB-SG 3.54Å; C139-D141 PolarHBondContact O-N 3.2Å |
| 140 | F | 85 | Confident | 76.2 | Confident | 158 Ų | 158 | 73.9 Ų | 73.9 | 69% | 0.693 | 37% | 0.37 | S | S | * | . | trans | 62.4 | 12.5 | -177.2 | -54.1 | -83.3 | 0 | 0 | 0 | 115.6 | V135 C136 | V135-F140 WeakPolarHBondContact CG1-O 3.3Å; C136-F140 VanDerWaalsContact O-CA 3.22Å; C136-F140 WeakPolarHBondContact O-CA 3.22Å; C136-F140 PolarHBondContact O-N 2.99Å | ||
| 141 | D | 83.6 | Confident | 77.6 | Confident | 110 Ų | 110 | 69.5 Ų | 69.5 | 59% | 0.588 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -100.5 | 168.4 | 173.4 | -68.8 | -51.6 | 0 | 0 | 0 | 112.6 | V135 C136 C139 | V135-D141 WeakPolarHBondContact CA-O 3.43Å; C136-D141 PolarHBondContact N-O 3.18Å; C139-D141 PolarHBondContact O-N 3.2Å |
| 142 | M | 80.1 | Confident | 78.6 | Confident | 152 Ų | 152 | 70.3 Ų | 70.3 | 75% | 0.749 | 37% | 0.369 | S | S | * | . | B | Isolated β-bridge | trans | -60.9 | 139.5 | 172.5 | -75.8 | -178.5 | -81.6 | 0 | 0 | 112.2 | F134 E144 | F134-M142 WeakPolarHBondContact O-CA 3.37Å; M142-E144 PolarHBondContact O-N 2.87Å |
| 143 | I | 80.9 | Confident | 79.8 | Confident | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.036 | 36% | 0.36 | C | S | . | . | trans | -78.2 | 103.1 | -179 | -62.7 | 163.3 | 0 | 0 | 0 | 110.4 | F134 C136 A146 I190 | F134-I143 WeakPolarHBondContact O-CG1 3.42Å; F134-I143 PolarHBondContact O-N 2.73Å; C136-I143 HydrophobicContact CB-CD1 4.45Å; C136-I143 HydrophobicContact CB-CG1 3.79Å; I143-A146 VanDerWaalsContact CG2-CA 3.49Å; I143-A146 HydrophobicContact CG2-CB 3.75Å; I143-I190 HydrophobicContact CB-CD1 4.05Å; I143-I190 HydrophobicContact CD1-CD1 4.42Å; I143-I190 HydrophobicContact CG2-CD1 4Å | ||
| 144 | E | 71.3 | Confident | 80.6 | Confident | 189 Ų | 189 | 65.1 Ų | 65.1 | 88% | 0.883 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -69.1 | -48.5 | 173 | -62.3 | -178.6 | 143.1 | 0 | 0 | 111.9 | M142 | M142-E144 PolarHBondContact O-N 2.87Š|
| 145 | E | 77.2 | Confident | 81.2 | Confident | 106 Ų | 106 | 63.7 Ų | 63.7 | 50% | 0.495 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -119.9 | 101.9 | -178.7 | -67.7 | -173.2 | 139 | 0 | 0 | 110.5 | Y147 C156 Y157 | E145-Y147 HydrophobicContact CB-CD2 4.4Å; E145-Y147 HydrophobicContact CB-CE2 4.1Å; E145-Y147 PolarHBondContact O-N 3.01Å; E145-C156 CarbonylContact O-C 3.37Å; E145-C156 WeakPolarHBondContact O-CA 3.47Å; E145-Y157 PolarHBondContact O-N 3.05Å; E145-Y157 VanDerWaalsContact OE2-CB 3.31Å; E145-Y157 WeakPolarHBondContact OE2-CB 3.27Å |
| 146 | A | 78.5 | Confident | 81.5 | Confident | 14 Ų | 14 | 62.3 Ų | 62.3 | 12% | 0.116 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 102.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I143 N186 I190 | I143-A146 VanDerWaalsContact CG2-CA 3.49Å; I143-A146 HydrophobicContact CG2-CB 3.75Å; A146-N186 HydrophobicContact CB-CB 4.13Å; A146-N186 PolarHBondContact O-N 3.2Å; A146-I190 HydrophobicContact CB-CB 4.18Å; A146-I190 HydrophobicContact CB-CD1 3.42Å; A146-I190 VanDerWaalsContact CB-CD1 3.42Å; A146-I190 HydrophobicContact CB-CG1 3.75Å |
| 147 | Y | 80.7 | Confident | 81.5 | Confident | 59 Ų | 59 | 66.3 Ų | 66.3 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 127.7 | 174.4 | -75.3 | -92.4 | 0 | 0 | 0 | 111.2 | E145 S154 F155 Y157 L183 P185 | E145-Y147 HydrophobicContact CB-CD2 4.4Å; E145-Y147 HydrophobicContact CB-CE2 4.1Å; E145-Y147 PolarHBondContact O-N 3.01Å; Y147-S154 WeakPolarHBondContact O-CA 3.33Å; Y147-F155 PolarHBondContact N-O 3.45Å; Y147-F155 VanDerWaalsContact N-O 3.14Å; Y147-F155 PolarHBondContact O-N 3.46Å; Y147-Y157 AromaticContact CD2-CD2 3.74Å; Y147-Y157 HydrophobicContact CD2-CD2 3.74Å; Y147-Y157 HydrophobicContact CD2-CG 4.15Å; Y147-Y157 HydrophobicContact CE1-CD2 4.34Å; Y147-Y157 AromaticContact CE2-CD2 3.45Å; Y147-Y157 HydrophobicContact CE2-CD2 3.45Å; Y147-Y157 VanDerWaalsContact CE2-CD2 3.45Å; Y147-Y157 HydrophobicContact CE2-CE2 4.43Å; Y147-Y157 AromaticContact CE2-CG 3.83Å; Y147-Y157 HydrophobicContact CE2-CG 3.83Å; Y147-Y157 HydrophobicContact CG-CD2 4.31Å; Y147-Y157 AromaticContact CZ-CD2 3.76Å; Y147-L183 HydrophobicContact CD1-CB 3.79Å; Y147-L183 HydrophobicContact CD1-CD1 4.47Å; Y147-L183 HydrophobicContact CG-CB 4.46Å; Y147-P185 HydrophobicContact CD1-CB 4.46Å; Y147-P185 HydrophobicContact CE1-CB 4.09Å |
| 148 | M | 81.4 | Confident | 81.8 | Confident | 58 Ų | 58 | 72 Ų | 72 | 29% | 0.286 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.2 | 173.2 | -70.5 | -173.2 | -53.4 | 0 | 0 | 110.9 | Y184 N186 | M148-Y184 PolarHBondContact N-O 2.88Å; M148-Y184 PolarHBondContact O-N 2.85Å; M148-N186 HydrophobicContact CE-CB 4.05Å; M148-N186 HydrophobicContact CG-CB 4.1Å; M148-N186 HydrophobicContact SD-CB 4.24Å |
| 149 | T | 81.1 | Confident | 82 | Confident | 4 Ų | 4 | 70 Ų | 70 | 3% | 0.025 | 36% | 0.356 | C | S | . | . | trans | -71.4 | 160.1 | 168 | 52.6 | 0 | 0 | 0 | 0 | 111.4 | C151 G152 H153 F155 I160 L183 | T149-C151 PolarHBondContact O-N 2.86Å; T149-C151 PolarHBondContact OG1-SG 3.23Å; T149-G152 PolarHBondContact O-N 2.91Å; T149-H153 PolarHBondContact N-O 2.82Å; T149-H153 PolarHBondContact OG1-N 2.83Å; T149-H153 PolarHBondContact OG1-O 3.14Å; T149-F155 HydrophobicContact CG2-CD2 4.2Å; T149-F155 HydrophobicContact CG2-CE2 3.91Å; T149-I160 HydrophobicContact CG2-CD1 3.67Å; T149-I160 HydrophobicContact CG2-CG1 3.94Å; T149-L183 HydrophobicContact CG2-CD2 3.78Å | ||
| 150 | K | 76.7 | Confident | 82 | Confident | 83 Ų | 83 | 67.8 Ų | 67.8 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -24.8 | 176.9 | -67.1 | -75.3 | 178.3 | 166.9 | 0 | 114.2 | G152 Y175 H182 Y184 | K150-G152 VanDerWaalsContact C-N 3.33Å; K150-Y175 HydrophobicContact CB-CE1 4.17Å; K150-H182 HydrophobicContact CD-CB 4.41Å; K150-H182 VanDerWaalsContact CE-O 3.3Å; K150-H182 WeakPolarHBondContact CE-O 3.39Å; K150-H182 HydrophobicContact CG-CB 4.23Å; K150-H182 PolarHBondContact NZ-CD2 3.31Å; K150-Y184 HydrophobicContact CD-CE2 3.9Å; K150-Y184 PolarHBondContact NZ-OH 3.32Å |
| 151 | C | 80 | Confident | 82.1 | Confident | 37 Ų | 37 | 62.6 Ų | 62.6 | 25% | 0.25 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 5.2 | 174.7 | 57.2 | 0 | 0 | 0 | 0 | 115 | T149 H153 C170 C173 Y175 | T149-C151 PolarHBondContact O-N 2.86Å; T149-C151 PolarHBondContact OG1-SG 3.23Å; C151-H153 PolarHBondContact SG-ND1 2.77Å; C151-H153 VanDerWaalsContact SG-ND1 3.39Å; C151-C170 VanDerWaalsContact SG-CB 3.58Å; C151-C173 PolarHBondContact SG-SG 2.89Å; C151-Y175 HydrophobicContact CB-CD1 3.99Å; C151-Y175 HydrophobicContact CB-CD2 4.38Å; C151-Y175 HydrophobicContact CB-CG 3.82Å |
| 152 | G | 77.6 | Confident | 82.4 | Confident | 53 Ų | 53 | 62.1 Ų | 62.1 | 55% | 0.546 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 85.7 | 6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116 | T149 K150 | T149-G152 PolarHBondContact O-N 2.91Å; K150-G152 VanDerWaalsContact C-N 3.33Å |
| 153 | H | 83.9 | Confident | 82.7 | Confident | 61 Ų | 61 | 56 Ų | 56 | 28% | 0.282 | 29% | 0.285 | S | S | . | . | trans | -91.4 | 134.1 | 177.7 | -61.1 | 105.3 | 0 | 0 | 0 | 111.7 | T149 C151 F155 K172 C173 | T149-H153 PolarHBondContact N-O 2.82Å; T149-H153 PolarHBondContact OG1-N 2.83Å; T149-H153 PolarHBondContact OG1-O 3.14Å; C151-H153 PolarHBondContact SG-ND1 2.77Å; C151-H153 VanDerWaalsContact SG-ND1 3.39Å; H153-F155 HydrophobicContact CB-CE2 3.52Å; H153-F155 HydrophobicContact CB-CZ 3.65Å; H153-F155 WeakPolarHBondContact O-CE2 3.46Å; H153-K172 HydrophobicContact CB-CB 4.36Å; H153-C173 PolarHBondContact CE1-SG 3Å; H153-C173 PolarHBondContact ND1-SG 3.32Å; H153-C173 VanDerWaalsContact ND1-SG 3.42Å | ||
| 154 | S | 81.8 | Confident | 82.9 | Confident | 40 Ų | 40 | 55.8 Ų | 55.8 | 28% | 0.28 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 139.1 | -179.4 | 45.5 | 0 | 0 | 0 | 0 | 113 | Y147 | Y147-S154 WeakPolarHBondContact O-CA 3.33Å |
| 155 | F | 85.5 | Confident | 83.7 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 167 | 179.6 | -49 | -91 | 0 | 0 | 0 | 110 | P137 I138 Y147 T149 H153 I160 P171 K172 | P137-F155 HydrophobicContact CG-CD1 3.68Å; P137-F155 HydrophobicContact CG-CE1 3.51Å; I138-F155 HydrophobicContact CD1-CB 4.38Å; I138-F155 HydrophobicContact CD1-CD1 3.51Å; I138-F155 HydrophobicContact CD1-CE1 4.07Å; I138-F155 HydrophobicContact CD1-CG 4.15Å; I138-F155 HydrophobicContact CG1-CD1 3.98Å; I138-F155 HydrophobicContact CG1-CE1 4.35Å; Y147-F155 PolarHBondContact N-O 3.45Å; Y147-F155 VanDerWaalsContact N-O 3.14Å; Y147-F155 PolarHBondContact O-N 3.46Å; T149-F155 HydrophobicContact CG2-CD2 4.2Å; T149-F155 HydrophobicContact CG2-CE2 3.91Å; H153-F155 HydrophobicContact CB-CE2 3.52Å; H153-F155 HydrophobicContact CB-CZ 3.65Å; H153-F155 WeakPolarHBondContact O-CE2 3.46Å; F155-I160 HydrophobicContact CB-CB 4.01Å; F155-I160 HydrophobicContact CD2-CB 4.29Å; F155-I160 HydrophobicContact CD2-CD1 3.91Å; F155-I160 HydrophobicContact CD2-CG1 4.23Å; F155-I160 HydrophobicContact CE2-CD1 4.11Å; F155-I160 HydrophobicContact CG-CB 4.37Å; F155-P171 HydrophobicContact CD1-CG 4.49Å; F155-P171 HydrophobicContact CE1-CG 3.78Å; F155-P171 HydrophobicContact CZ-CG 3.97Å; F155-K172 HydrophobicContact CZ-CB 4.09Å |
| 156 | C | 87.6 | Confident | 84.1 | Confident | 16 Ų | 16 | 52 Ų | 52 | 11% | 0.108 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 141.6 | 166 | -54.2 | 0 | 0 | 0 | 0 | 111 | C136 E145 K158 C159 I160 | C136-C156 WeakPolarHBondContact CB-SG 3.37Å; E145-C156 CarbonylContact O-C 3.37Å; E145-C156 WeakPolarHBondContact O-CA 3.47Å; C156-K158 PolarHBondContact O-N 3.42Å; C156-C159 HydrophobicContact CB-CB 4.15Å; C156-C159 PolarHBondContact O-N 3.36Å; C156-I160 PolarHBondContact O-N 3.2Å |
| 157 | Y | 84.8 | Confident | 84.2 | Confident | 84 Ų | 84 | 56.4 Ų | 56.4 | 33% | 0.329 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -43.5 | -58.8 | 175.8 | -179.4 | -114 | 0 | 0 | 0 | 113.3 | E145 Y147 C159 I160 H161 | E145-Y157 PolarHBondContact O-N 3.05Å; E145-Y157 VanDerWaalsContact OE2-CB 3.31Å; E145-Y157 WeakPolarHBondContact OE2-CB 3.27Å; Y147-Y157 AromaticContact CD2-CD2 3.74Å; Y147-Y157 HydrophobicContact CD2-CD2 3.74Å; Y147-Y157 HydrophobicContact CD2-CG 4.15Å; Y147-Y157 HydrophobicContact CE1-CD2 4.34Å; Y147-Y157 AromaticContact CE2-CD2 3.45Å; Y147-Y157 HydrophobicContact CE2-CD2 3.45Å; Y147-Y157 VanDerWaalsContact CE2-CD2 3.45Å; Y147-Y157 HydrophobicContact CE2-CE2 4.43Å; Y147-Y157 AromaticContact CE2-CG 3.83Å; Y147-Y157 HydrophobicContact CE2-CG 3.83Å; Y147-Y157 HydrophobicContact CG-CD2 4.31Å; Y147-Y157 AromaticContact CZ-CD2 3.76Å; Y157-C159 PolarHBondContact O-N 3.1Å; Y157-I160 WeakPolarHBondContact O-CG2 3.25Å; Y157-I160 PolarHBondContact O-N 2.99Å; Y157-H161 AromaticContact CZ-CD2 3.96Å; Y157-H161 VanDerWaalsContact O-CB 3.25Å; Y157-H161 WeakPolarHBondContact O-CB 3.44Å; Y157-H161 PolarHBondContact O-N 3.39Å |
| 158 | K | 88 | Confident | 84.5 | Confident | 166 Ų | 166 | 58 Ų | 58 | 72% | 0.722 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -57.1 | -36.3 | -179.8 | -62.8 | 175.4 | 65.3 | -178.9 | 0 | 113.3 | C156 Q162 | C156-K158 PolarHBondContact O-N 3.42Å; K158-Q162 WeakPolarHBondContact O-CB 3.41Å; K158-Q162 PolarHBondContact O-N 2.88Å; K158-Q162 VanDerWaalsContact O-N 3.16Å |
| 159 | C | 89.5 | Confident | 84.6 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 16% | 0.162 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -77.2 | -40.8 | -176.3 | -64 | 0 | 0 | 0 | 0 | 112.1 | I138 C156 Y157 S163 | I138-C159 HydrophobicContact CB-CB 3.94Å; I138-C159 HydrophobicContact CD1-CB 3.71Å; I138-C159 HydrophobicContact CG1-CB 4.42Å; I138-C159 HydrophobicContact CG2-CB 3.97Å; C156-C159 HydrophobicContact CB-CB 4.15Å; C156-C159 PolarHBondContact O-N 3.36Å; Y157-C159 PolarHBondContact O-N 3.1Å; C159-S163 VanDerWaalsContact O-CB 3.25Å; C159-S163 WeakPolarHBondContact O-CB 3.22Å; C159-S163 PolarHBondContact O-N 3.07Å |
| 160 | I | 86.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.6 | -35.1 | 175 | -170.7 | 58.4 | 0 | 0 | 0 | 111.7 | T149 F155 C156 Y157 S163 L164 L183 | T149-I160 HydrophobicContact CG2-CD1 3.67Å; T149-I160 HydrophobicContact CG2-CG1 3.94Å; F155-I160 HydrophobicContact CB-CB 4.01Å; F155-I160 HydrophobicContact CD2-CB 4.29Å; F155-I160 HydrophobicContact CD2-CD1 3.91Å; F155-I160 HydrophobicContact CD2-CG1 4.23Å; F155-I160 HydrophobicContact CE2-CD1 4.11Å; F155-I160 HydrophobicContact CG-CB 4.37Å; C156-I160 PolarHBondContact O-N 3.2Å; Y157-I160 WeakPolarHBondContact O-CG2 3.25Å; Y157-I160 PolarHBondContact O-N 2.99Å; I160-S163 PolarHBondContact O-N 3.14Å; I160-L164 HydrophobicContact CD1-CD1 4.14Å; I160-L164 HydrophobicContact CD1-CD2 4.38Å; I160-L164 HydrophobicContact CD1-CG 3.96Å; I160-L164 HydrophobicContact CG1-CD1 3.9Å; I160-L164 HydrophobicContact CG1-CG 4.18Å; I160-L164 WeakPolarHBondContact O-CB 3.41Å; I160-L164 VanDerWaalsContact O-CG 3.23Å; I160-L164 WeakPolarHBondContact O-CG 3.2Å; I160-L164 PolarHBondContact O-N 3.34Å; I160-L183 HydrophobicContact CG1-CD1 4.27Å; I160-L183 HydrophobicContact CG1-CD2 3.91Å; I160-L183 HydrophobicContact CG2-CD1 3.78Å |
| 161 | H | 87.1 | Confident | 85.1 | Confident | 50 Ų | 50 | 59.4 Ų | 59.4 | 23% | 0.231 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.6 | -57.8 | 175.1 | -165.1 | -77.1 | 0 | 0 | 0 | 110.7 | Y157 S163 L164 E165 | Y157-H161 AromaticContact CZ-CD2 3.96Å; Y157-H161 VanDerWaalsContact O-CB 3.25Å; Y157-H161 WeakPolarHBondContact O-CB 3.44Å; Y157-H161 PolarHBondContact O-N 3.39Å; H161-S163 VanDerWaalsContact C-N 3.33Å; H161-S163 PolarHBondContact O-N 3.38Å; H161-L164 PolarHBondContact O-N 3.46Å; H161-E165 IonicContact CE1-OE1 3.4Å; H161-E165 PolarHBondContact CE1-OE1 2.63Å; H161-E165 IonicContact CE1-OE2 3.41Å; H161-E165 PolarHBondContact CE1-OE2 2.95Å; H161-E165 IonicContact CG-OE2 3.84Å; H161-E165 IonicContact ND1-OE1 3.57Å; H161-E165 IonicContact ND1-OE2 2.72Å; H161-E165 PolarHBondContact ND1-OE2 2.92Å; H161-E165 WeakPolarHBondContact O-CG 3.38Å; H161-E165 PolarHBondContact O-N 3.05Å |
| 162 | Q | 89.3 | Confident | 85.1 | Confident | 100 Ų | 100 | 63.9 Ų | 63.9 | 47% | 0.467 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.5 | -45.2 | 176.4 | -175.2 | 65 | 66.3 | 0 | 0 | 112.1 | K158 L164 E165 D166 | K158-Q162 WeakPolarHBondContact O-CB 3.41Å; K158-Q162 PolarHBondContact O-N 2.88Å; K158-Q162 VanDerWaalsContact O-N 3.16Å; Q162-L164 VanDerWaalsContact C-N 3.27Å; Q162-L164 PolarHBondContact O-N 3.19Å; Q162-E165 WeakPolarHBondContact CA-OE2 3.39Å; Q162-E165 PolarHBondContact N-OE2 2.99Å; Q162-E165 PolarHBondContact O-N 3.31Å; Q162-D166 PolarHBondContact NE2-OD1 3.3Å; Q162-D166 PolarHBondContact NE2-OD2 3.3Å; Q162-D166 PolarHBondContact O-N 3.06Å; Q162-D166 VanDerWaalsContact O-OD2 3.14Å |
| 163 | S | 87.6 | Confident | 85.3 | Confident | 24 Ų | 24 | 64.2 Ų | 64.2 | 17% | 0.168 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.6 | -39.2 | 178.4 | -177 | 0 | 0 | 0 | 0 | 112.3 | C159 I160 H161 N167 | C159-S163 VanDerWaalsContact O-CB 3.25Å; C159-S163 WeakPolarHBondContact O-CB 3.22Å; C159-S163 PolarHBondContact O-N 3.07Å; I160-S163 PolarHBondContact O-N 3.14Å; H161-S163 VanDerWaalsContact C-N 3.33Å; H161-S163 PolarHBondContact O-N 3.38Å; S163-N167 CarbonylContact C-O 3.6Å; S163-N167 CarbonylContact O-C 3.38Å; S163-N167 PolarHBondContact O-N 2.84Å |
| 164 | L | 85.4 | Confident | 85.2 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -77.3 | -34.2 | -179.5 | -69.3 | 177.8 | 0 | 0 | 0 | 112.8 | I160 H161 Q162 N167 N168 V177 I180 L183 | I160-L164 HydrophobicContact CD1-CD1 4.14Å; I160-L164 HydrophobicContact CD1-CD2 4.38Å; I160-L164 HydrophobicContact CD1-CG 3.96Å; I160-L164 HydrophobicContact CG1-CD1 3.9Å; I160-L164 HydrophobicContact CG1-CG 4.18Å; I160-L164 WeakPolarHBondContact O-CB 3.41Å; I160-L164 VanDerWaalsContact O-CG 3.23Å; I160-L164 WeakPolarHBondContact O-CG 3.2Å; I160-L164 PolarHBondContact O-N 3.34Å; H161-L164 PolarHBondContact O-N 3.46Å; Q162-L164 VanDerWaalsContact C-N 3.27Å; Q162-L164 PolarHBondContact O-N 3.19Å; L164-N167 WeakPolarHBondContact CA-O 3.23Å; L164-N167 CarbonylContact O-C 3.49Å; L164-N168 PolarHBondContact O-N 3.48Å; L164-N168 PolarHBondContact O-OD1 2.95Å; L164-V177 HydrophobicContact CD1-CG1 3.95Å; L164-V177 HydrophobicContact CD2-CB 3.72Å; L164-V177 HydrophobicContact CD2-CG1 4.08Å; L164-V177 HydrophobicContact CD2-CG2 4.32Å; L164-I180 HydrophobicContact CB-CD1 4.45Å; L164-I180 HydrophobicContact CB-CG1 4.26Å; L164-I180 HydrophobicContact CD1-CG1 3.98Å; L164-L183 HydrophobicContact CD1-CD1 4.48Å; L164-L183 HydrophobicContact CD1-CD2 4.34Å |
| 165 | E | 86.8 | Confident | 85.1 | Confident | 111 Ų | 111 | 70.2 Ų | 70.2 | 52% | 0.519 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 171.3 | -71.8 | 171.1 | 114.6 | 0 | 0 | 111.6 | H161 Q162 | H161-E165 IonicContact CE1-OE1 3.4Å; H161-E165 PolarHBondContact CE1-OE1 2.63Å; H161-E165 IonicContact CE1-OE2 3.41Å; H161-E165 PolarHBondContact CE1-OE2 2.95Å; H161-E165 IonicContact CG-OE2 3.84Å; H161-E165 IonicContact ND1-OE1 3.57Å; H161-E165 IonicContact ND1-OE2 2.72Å; H161-E165 PolarHBondContact ND1-OE2 2.92Å; H161-E165 WeakPolarHBondContact O-CG 3.38Å; H161-E165 PolarHBondContact O-N 3.05Å; Q162-E165 WeakPolarHBondContact CA-OE2 3.39Å; Q162-E165 PolarHBondContact N-OE2 2.99Å; Q162-E165 PolarHBondContact O-N 3.31Å |
| 166 | D | 86.6 | Confident | 84.9 | Confident | 104 Ų | 104 | 72.6 Ų | 72.6 | 56% | 0.556 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -75.9 | -43.1 | 178.4 | -65.6 | -44.8 | 0 | 0 | 0 | 112.2 | Q162 | Q162-D166 PolarHBondContact NE2-OD1 3.3Å; Q162-D166 PolarHBondContact NE2-OD2 3.3Å; Q162-D166 PolarHBondContact O-N 3.06Å; Q162-D166 VanDerWaalsContact O-OD2 3.14Å |
| 167 | N | 80.8 | Confident | 84.6 | Confident | 108 Ų | 108 | 72 Ų | 72 | 58% | 0.578 | 35% | 0.354 | S | S | * | . | trans | -146.6 | 113.1 | -177.4 | -70.5 | -93.6 | 0 | 0 | 0 | 109.5 | S163 L164 R169 | S163-N167 CarbonylContact C-O 3.6Å; S163-N167 CarbonylContact O-C 3.38Å; S163-N167 PolarHBondContact O-N 2.84Å; L164-N167 WeakPolarHBondContact CA-O 3.23Å; L164-N167 CarbonylContact O-C 3.49Å; N167-R169 PolarHBondContact O-N 3.33Å | ||
| 168 | N | 85.6 | Confident | 84 | Confident | 91 Ų | 91 | 73.3 Ų | 73.3 | 49% | 0.487 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -67 | 50.8 | 178.5 | -65.7 | -84.3 | 0 | 0 | 0 | 113.9 | L164 V176 V177 | L164-N168 PolarHBondContact O-N 3.48Å; L164-N168 PolarHBondContact O-OD1 2.95Å; N168-V176 WeakPolarHBondContact O-CA 3.4Å; N168-V177 PolarHBondContact O-N 3.07Å |
| 169 | R | 84.9 | Confident | 83 | Confident | 106 Ų | 106 | 69.6 Ų | 69.6 | 40% | 0.4 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -147.9 | 144.6 | -172.8 | -66.1 | -174.2 | 179.7 | -91.6 | -4.3 | 110.3 | N167 N174 Y175 V176 | N167-R169 PolarHBondContact O-N 3.33Å; R169-N174 WeakPolarHBondContact CD-OD1 3.4Å; R169-N174 PolarHBondContact NH1-O 3.1Å; R169-Y175 CarbonylContact C-O 3.6Å; R169-Y175 WeakPolarHBondContact CA-O 3.35Å; R169-V176 HydrophobicContact CG-CG2 4.42Å; R169-V176 VanDerWaalsContact NH1-CG2 3.33Å |
| 170 | C | 84.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | trans | -68.3 | 125.8 | 174.6 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | C151 K172 C173 N174 Y175 | C151-C170 VanDerWaalsContact SG-CB 3.58Å; C170-K172 PolarHBondContact O-N 3.41Å; C170-K172 VanDerWaalsContact O-N 3.1Å; C170-C173 PolarHBondContact O-N 3.43Å; C170-C173 VanDerWaalsContact SG-SG 3.68Å; C170-N174 VanDerWaalsContact O-CA 3.22Å; C170-N174 WeakPolarHBondContact O-CA 3.25Å; C170-N174 PolarHBondContact O-N 3.05Å; C170-Y175 PolarHBondContact N-O 3.28Å | ||
| 171 | P | 83.6 | Confident | 81 | Confident | 69 Ų | 69 | 78.1 Ų | 78.1 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -10.1 | -177.8 | 25 | -32 | 0 | 0 | 0 | 114.4 | I138 F155 | I138-P171 HydrophobicContact CD1-CG 3.8Å; I138-P171 HydrophobicContact CG1-CG 4.18Å; F155-P171 HydrophobicContact CD1-CG 4.49Å; F155-P171 HydrophobicContact CE1-CG 3.78Å; F155-P171 HydrophobicContact CZ-CG 3.97Å |
| 172 | K | 80.1 | Confident | 79.9 | Confident | 131 Ų | 131 | 79.8 Ų | 79.8 | 57% | 0.57 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -31.7 | 178 | -163.2 | 73.7 | 173.8 | -141.9 | 0 | 113.8 | H153 F155 C170 | H153-K172 HydrophobicContact CB-CB 4.36Å; F155-K172 HydrophobicContact CZ-CB 4.09Å; C170-K172 PolarHBondContact O-N 3.41Å; C170-K172 VanDerWaalsContact O-N 3.1Å |
| 173 | C | 80.6 | Confident | 79 | Confident | 60 Ų | 60 | 75.7 Ų | 75.7 | 41% | 0.405 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.3 | 3.5 | -172.4 | 65.3 | 0 | 0 | 0 | 0 | 114.9 | C151 H153 C170 Y175 | C151-C173 PolarHBondContact SG-SG 2.89Å; H153-C173 PolarHBondContact CE1-SG 3Å; H153-C173 PolarHBondContact ND1-SG 3.32Å; H153-C173 VanDerWaalsContact ND1-SG 3.42Å; C170-C173 PolarHBondContact O-N 3.43Å; C170-C173 VanDerWaalsContact SG-SG 3.68Å; C173-Y175 PolarHBondContact O-N 3.16Å; C173-Y175 VanDerWaalsContact SG-CB 3.57Å |
| 174 | N | 82.6 | Confident | 78.2 | Confident | 103 Ų | 103 | 80.7 Ų | 80.7 | 55% | 0.551 | 40% | 0.403 | S | S | * | . | trans | 59.2 | 12.9 | 179.5 | -144.1 | 47.9 | 0 | 0 | 0 | 116.2 | R169 C170 | R169-N174 WeakPolarHBondContact CD-OD1 3.4Å; R169-N174 PolarHBondContact NH1-O 3.1Å; C170-N174 VanDerWaalsContact O-CA 3.22Å; C170-N174 WeakPolarHBondContact O-CA 3.25Å; C170-N174 PolarHBondContact O-N 3.05Å | ||
| 175 | Y | 80.2 | Confident | 77.4 | Confident | 125 Ų | 125 | 83 Ų | 83 | 49% | 0.49 | 42% | 0.417 | S | S | . | . | trans | -61.1 | 131.1 | 174.5 | -176 | -89.2 | 0 | 0 | 0 | 110.6 | K150 C151 R169 C170 C173 V177 | K150-Y175 HydrophobicContact CB-CE1 4.17Å; C151-Y175 HydrophobicContact CB-CD1 3.99Å; C151-Y175 HydrophobicContact CB-CD2 4.38Å; C151-Y175 HydrophobicContact CB-CG 3.82Å; R169-Y175 CarbonylContact C-O 3.6Å; R169-Y175 WeakPolarHBondContact CA-O 3.35Å; C170-Y175 PolarHBondContact N-O 3.28Å; C173-Y175 PolarHBondContact O-N 3.16Å; C173-Y175 VanDerWaalsContact SG-CB 3.57Å; Y175-V177 HydrophobicContact CD1-CG2 4.2Å; Y175-V177 PolarHBondContact O-N 3.07Å | ||
| 176 | V | 81.4 | Confident | 76.2 | Confident | 52 Ų | 52 | 79.6 Ų | 79.6 | 32% | 0.315 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -68.7 | 128.5 | -179.3 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | N168 R169 D178 | N168-V176 WeakPolarHBondContact O-CA 3.4Å; R169-V176 HydrophobicContact CG-CG2 4.42Å; R169-V176 VanDerWaalsContact NH1-CG2 3.33Å; V176-D178 WeakPolarHBondContact CG1-OD1 3.34Å |
| 177 | V | 79.9 | Confident | 74.8 | Confident | 4 Ų | 4 | 83 Ų | 83 | 2% | 0.024 | 41% | 0.413 | C | S | . | . | trans | -119.3 | 98.7 | 176.7 | 178.4 | 0 | 0 | 0 | 0 | 106.6 | L164 N168 Y175 N179 | L164-V177 HydrophobicContact CD1-CG1 3.95Å; L164-V177 HydrophobicContact CD2-CB 3.72Å; L164-V177 HydrophobicContact CD2-CG1 4.08Å; L164-V177 HydrophobicContact CD2-CG2 4.32Å; N168-V177 PolarHBondContact O-N 3.07Å; Y175-V177 HydrophobicContact CD1-CG2 4.2Å; Y175-V177 PolarHBondContact O-N 3.07Å; V177-N179 VanDerWaalsContact C-N 3.3Å; V177-N179 PolarHBondContact O-N 2.86Å | ||
| 178 | D | 73.1 | Confident | 73.5 | Confident | 111 Ų | 111 | 85.5 Ų | 85.5 | 59% | 0.594 | 43% | 0.426 | S | S | * | . | trans | -72.9 | -18.4 | -166.8 | -47.6 | -85.4 | 0 | 0 | 0 | 114.3 | V176 | V176-D178 WeakPolarHBondContact CG1-OD1 3.34Š| ||
| 179 | N | 67.5 | Low | 72 | Confident | 88 Ų | 88 | 81.9 Ų | 81.9 | 47% | 0.471 | 41% | 0.41 | S | S | . | . | trans | -150.3 | 147.8 | -177.8 | -65.1 | -89.4 | 0 | 0 | 0 | 111.3 | V177 H182 | V177-N179 VanDerWaalsContact C-N 3.3Å; V177-N179 PolarHBondContact O-N 2.86Å; N179-H182 WeakPolarHBondContact O-CB 3.31Å | ||
| 180 | I | 69.9 | Low | 70.3 | Confident | 56 Ų | 56 | 78.8 Ų | 78.8 | 29% | 0.287 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -75.7 | -29.1 | 177.8 | -69.8 | 172.1 | 0 | 0 | 0 | 111.6 | L164 H182 L183 | L164-I180 HydrophobicContact CB-CD1 4.45Å; L164-I180 HydrophobicContact CB-CG1 4.26Å; L164-I180 HydrophobicContact CD1-CG1 3.98Å; I180-H182 PolarHBondContact O-N 2.88Å; I180-L183 HydrophobicContact CG2-CD1 4.07Å; I180-L183 WeakPolarHBondContact O-CB 3.44Å; I180-L183 VanDerWaalsContact O-CG 3.28Å; I180-L183 WeakPolarHBondContact O-CG 3.48Å; I180-L183 PolarHBondContact O-N 2.92Å |
| 181 | D | 63.8 | Low | 68.3 | Low | 147 Ų | 147 | 84 Ų | 84 | 79% | 0.786 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -61.6 | -9.2 | 174.6 | -49.9 | -92.1 | 0 | 0 | 0 | 114 | ||
| 182 | H | 64.6 | Low | 66.4 | Low | 85 Ų | 85 | 84.4 Ų | 84.4 | 39% | 0.394 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -94 | 5.5 | 176.7 | -88.3 | 175.5 | 0 | 0 | 0 | 114.2 | K150 N179 I180 | K150-H182 HydrophobicContact CD-CB 4.41Å; K150-H182 VanDerWaalsContact CE-O 3.3Å; K150-H182 WeakPolarHBondContact CE-O 3.39Å; K150-H182 HydrophobicContact CG-CB 4.23Å; K150-H182 PolarHBondContact NZ-CD2 3.31Å; N179-H182 WeakPolarHBondContact O-CB 3.31Å; I180-H182 PolarHBondContact O-N 2.88Å |
| 183 | L | 69.8 | Low | 64.6 | Low | 13 Ų | 13 | 82.2 Ų | 82.2 | 7% | 0.068 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 124.4 | 167.7 | -62.5 | 177.5 | 0 | 0 | 0 | 110.5 | Y147 T149 I160 L164 I180 P185 | Y147-L183 HydrophobicContact CD1-CB 3.79Å; Y147-L183 HydrophobicContact CD1-CD1 4.47Å; Y147-L183 HydrophobicContact CG-CB 4.46Å; T149-L183 HydrophobicContact CG2-CD2 3.78Å; I160-L183 HydrophobicContact CG1-CD1 4.27Å; I160-L183 HydrophobicContact CG1-CD2 3.91Å; I160-L183 HydrophobicContact CG2-CD1 3.78Å; L164-L183 HydrophobicContact CD1-CD1 4.48Å; L164-L183 HydrophobicContact CD1-CD2 4.34Å; I180-L183 HydrophobicContact CG2-CD1 4.07Å; I180-L183 WeakPolarHBondContact O-CB 3.44Å; I180-L183 VanDerWaalsContact O-CG 3.28Å; I180-L183 WeakPolarHBondContact O-CG 3.48Å; I180-L183 PolarHBondContact O-N 2.92Å; L183-P185 WeakPolarHBondContact O-CD 3.42Å |
| 184 | Y | 70.6 | Confident | 63 | Low | 129 Ų | 129 | 84.5 Ų | 84.5 | 51% | 0.506 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 118.5 | 175.4 | -68.3 | -74.7 | 0 | 0 | 0 | 110.3 | M148 K150 N186 | M148-Y184 PolarHBondContact N-O 2.88Å; M148-Y184 PolarHBondContact O-N 2.85Å; K150-Y184 HydrophobicContact CD-CE2 3.9Å; K150-Y184 PolarHBondContact NZ-OH 3.32Å; Y184-N186 PolarHBondContact O-N 2.95Å |
| 185 | P | 67.8 | Low | 61.5 | Low | 49 Ų | 49 | 83.4 Ų | 83.4 | 32% | 0.318 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 125.1 | 169.8 | 25.3 | -34.1 | 0 | 0 | 0 | 109.8 | Y147 L183 F187 | Y147-P185 HydrophobicContact CD1-CB 4.46Å; Y147-P185 HydrophobicContact CE1-CB 4.09Å; L183-P185 WeakPolarHBondContact O-CD 3.42Å; P185-F187 HydrophobicContact CB-CD2 4.17Å; P185-F187 HydrophobicContact CB-CE1 4.23Å; P185-F187 HydrophobicContact CB-CE2 3.76Å; P185-F187 HydrophobicContact CB-CZ 3.79Å; P185-F187 HydrophobicContact CG-CD2 3.95Å; P185-F187 HydrophobicContact CG-CE2 3.31Å; P185-F187 HydrophobicContact CG-CZ 3.68Å; P185-F187 PolarHBondContact O-N 3.38Å |
| 186 | N | 63.5 | Low | 60.2 | Low | 41 Ų | 41 | 81.4 Ų | 81.4 | 22% | 0.219 | 45% | 0.45 | C | S | . | . | trans | -84.2 | 65.2 | -175.3 | -167.2 | 6.1 | 0 | 0 | 0 | 111.9 | A146 M148 Y184 L188 G189 | A146-N186 HydrophobicContact CB-CB 4.13Å; A146-N186 PolarHBondContact O-N 3.2Å; M148-N186 HydrophobicContact CE-CB 4.05Å; M148-N186 HydrophobicContact CG-CB 4.1Å; M148-N186 HydrophobicContact SD-CB 4.24Å; Y184-N186 PolarHBondContact O-N 2.95Å; N186-L188 PolarHBondContact O-N 3.02Å; N186-G189 PolarHBondContact O-N 3.05Å; N186-G189 PolarHBondContact OD1-N 2.96Å | ||
| 187 | F | 56.6 | Low | 58.8 | Low | 174 Ų | 174 | 81.5 Ų | 81.5 | 76% | 0.763 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -15.9 | 180 | -65.2 | -61.9 | 0 | 0 | 0 | 114.5 | P185 | P185-F187 HydrophobicContact CB-CD2 4.17Å; P185-F187 HydrophobicContact CB-CE1 4.23Å; P185-F187 HydrophobicContact CB-CE2 3.76Å; P185-F187 HydrophobicContact CB-CZ 3.79Å; P185-F187 HydrophobicContact CG-CD2 3.95Å; P185-F187 HydrophobicContact CG-CE2 3.31Å; P185-F187 HydrophobicContact CG-CZ 3.68Å; P185-F187 PolarHBondContact O-N 3.38Å |
| 188 | L | 54 | Low | 57.5 | Low | 161 Ų | 161 | 86.8 Ų | 86.8 | 84% | 0.843 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 1.4 | -180 | -70.8 | 166.6 | 0 | 0 | 0 | 113.6 | N186 | N186-L188 PolarHBondContact O-N 3.02Š|
| 189 | G | 52.6 | Low | 56.6 | Low | 16 Ų | 16 | 91 Ų | 91 | 17% | 0.165 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | -36.3 | -165.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | N186 | N186-G189 PolarHBondContact O-N 3.05Å; N186-G189 PolarHBondContact OD1-N 2.96Å |
| 190 | I | 50.3 | Low | 55.8 | Low | 41 Ų | 41 | 89 Ų | 89 | 21% | 0.21 | 50% | 0.496 | C | S | . | . | trans | -130.3 | 36.1 | -172 | -42.8 | -166.3 | 0 | 0 | 0 | 111.5 | F134 I143 A146 C192 | F134-I190 HydrophobicContact CD1-CD1 3.91Å; F134-I190 HydrophobicContact CD1-CG1 3.95Å; F134-I190 HydrophobicContact CD1-CG2 4.14Å; F134-I190 HydrophobicContact CE1-CG1 4.26Å; I143-I190 HydrophobicContact CB-CD1 4.05Å; I143-I190 HydrophobicContact CD1-CD1 4.42Å; I143-I190 HydrophobicContact CG2-CD1 4Å; A146-I190 HydrophobicContact CB-CB 4.18Å; A146-I190 HydrophobicContact CB-CD1 3.42Å; A146-I190 VanDerWaalsContact CB-CD1 3.42Å; A146-I190 HydrophobicContact CB-CG1 3.75Å; I190-C192 PolarHBondContact O-N 2.95Å | ||
| 191 | T | 41.9 | Very low | 54.7 | Low | 109 Ų | 109 | 90 Ų | 90 | 67% | 0.669 | 50% | 0.501 | S | S | * | . | trans | -73.8 | 77.5 | 155.7 | 58.3 | 0 | 0 | 0 | 0 | 108.4 | S193 | T191-S193 PolarHBondContact O-N 3.4Š| ||
| 192 | C | 43.1 | Very low | 54.2 | Low | 78 Ų | 78 | 87.2 Ų | 87.2 | 53% | 0.527 | 49% | 0.491 | S | S | . | . | trans | -68.5 | 81.7 | 169 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | I190 P194 | I190-C192 PolarHBondContact O-N 2.95Å; C192-P194 VanDerWaalsContact O-CD 3.27Å; C192-P194 WeakPolarHBondContact O-CD 3.28Å | ||
| 193 | S | 42.9 | Very low | 53.4 | Low | 84 Ų | 84 | 87.4 Ų | 87.4 | 59% | 0.587 | 49% | 0.492 | S | S | * | . | trans | -56.9 | 118.8 | 154.9 | -58.2 | 0 | 0 | 0 | 0 | 106 | T191 T195 | T191-S193 PolarHBondContact O-N 3.4Å; S193-T195 PolarHBondContact O-N 3.4Å | ||
| 194 | P | 47.8 | Very low | 52.4 | Low | 109 Ų | 109 | 88.5 Ų | 88.5 | 71% | 0.708 | 51% | 0.506 | S | S | * | . | trans | -72.2 | 78.9 | 178.8 | 30.3 | -34.3 | 0 | 0 | 0 | 108.4 | C192 T196 | C192-P194 VanDerWaalsContact O-CD 3.27Å; C192-P194 WeakPolarHBondContact O-CD 3.28Å; P194-T196 PolarHBondContact O-N 3.33Å | ||
| 195 | T | 50 | Low | 51.2 | Low | 79 Ų | 79 | 84 Ų | 84 | 49% | 0.485 | 49% | 0.493 | S | S | . | . | trans | -75.3 | 73.7 | 166.4 | 55.2 | 0 | 0 | 0 | 0 | 107.4 | S193 D197 Q203 | S193-T195 PolarHBondContact O-N 3.4Å; T195-D197 PolarHBondContact O-N 2.72Å; T195-Q203 PolarHBondContact O-N 3.38Å | ||
| 196 | T | 54 | Low | 50 | Low | 83 Ų | 83 | 90.2 Ų | 90.2 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | B | Isolated β-bridge | trans | -56.6 | 125.9 | 155.1 | 52 | 0 | 0 | 0 | 0 | 106.8 | P194 I201 | P194-T196 PolarHBondContact O-N 3.33Å; T196-I201 WeakPolarHBondContact CA-O 3.46Å |
| 197 | D | 50.8 | Low | 48.7 | Very low | 55 Ų | 55 | 97 Ų | 97 | 29% | 0.294 | 54% | 0.543 | S | S | . | . | trans | -59 | 165.5 | 162.8 | 147.5 | -99.7 | 0 | 0 | 0 | 109.8 | T195 Y199 G200 I201 Q203 | T195-D197 PolarHBondContact O-N 2.72Å; D197-Y199 PolarHBondContact O-N 3Å; D197-Y199 WeakPolarHBondContact OD1-CB 3.3Å; D197-Y199 WeakPolarHBondContact OD1-CD2 3.41Å; D197-Y199 PolarHBondContact OD1-N 2.96Å; D197-G200 PolarHBondContact O-N 3.41Å; D197-I201 PolarHBondContact N-O 2.89Å; D197-Q203 HydrophobicContact CB-CG 4.09Å | ||
| 198 | S | 52 | Low | 47.8 | Very low | 115 Ų | 115 | 101.8 Ų | 101.8 | 80% | 0.804 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -37.9 | -29 | 170.6 | -16.6 | 0 | 0 | 0 | 0 | 115.5 | ||
| 199 | Y | 55.3 | Low | 47.5 | Very low | 198 Ų | 198 | 98.8 Ų | 98.8 | 78% | 0.776 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 10.3 | 178.7 | -64.5 | -89.2 | 0 | 0 | 0 | 114.6 | D197 | D197-Y199 PolarHBondContact O-N 3Å; D197-Y199 WeakPolarHBondContact OD1-CB 3.3Å; D197-Y199 WeakPolarHBondContact OD1-CD2 3.41Å; D197-Y199 PolarHBondContact OD1-N 2.96Å |
| 200 | G | 49.5 | Very low | 47.2 | Very low | 48 Ų | 48 | 103.2 Ų | 103.2 | 50% | 0.495 | 57% | 0.569 | S | S | . | * | S | Bend | trans | 81.9 | 7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | D197 | D197-G200 PolarHBondContact O-N 3.41Š|
| 201 | I | 46.9 | Very low | 47 | Very low | 76 Ų | 76 | 106.6 Ų | 106.6 | 39% | 0.39 | 59% | 0.589 | S | S | . | * | trans | -88.4 | 129.2 | -176 | -45.7 | -61.8 | 0 | 0 | 0 | 110.4 | Y127 T196 D197 Q203 | Y127-I201 HydrophobicContact CD1-CG2 4.4Å; Y127-I201 HydrophobicContact CE1-CG2 3.39Å; Y127-I201 HydrophobicContact CE2-CG2 4.46Å; Y127-I201 VanDerWaalsContact CZ-CG2 3.45Å; Y127-I201 WeakPolarHBondContact OH-CG2 3.5Å; T196-I201 WeakPolarHBondContact CA-O 3.46Å; D197-I201 PolarHBondContact N-O 2.89Å; I201-Q203 PolarHBondContact O-N 3.44Å; I201-Q203 VanDerWaalsContact O-N 3.15Å | ||
| 202 | P | 53.7 | Low | 47.3 | Very low | 88 Ų | 88 | 106.5 Ų | 106.5 | 57% | 0.571 | 58% | 0.584 | S | S | * | * | B | Isolated β-bridge | trans | -70.3 | 108.1 | -179.9 | 28.5 | -34.5 | 0 | 0 | 0 | 111.3 | ||
| 203 | Q | 47.7 | Very low | 47.6 | Very low | 90 Ų | 90 | 108.3 Ų | 108.3 | 42% | 0.421 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -81.1 | 120.7 | 171.5 | -65.9 | -80.4 | -2.5 | 0 | 0 | 108.7 | Y127 T195 D197 I201 | Y127-Q203 VanDerWaalsContact OH-CD 3.29Å; Y127-Q203 PolarHBondContact OH-NE2 3.46Å; T195-Q203 PolarHBondContact O-N 3.38Å; D197-Q203 HydrophobicContact CB-CG 4.09Å; I201-Q203 PolarHBondContact O-N 3.44Å; I201-Q203 VanDerWaalsContact O-N 3.15Å |
| 204 | G | 49.5 | Very low | 47.9 | Very low | 35 Ų | 35 | 109.9 Ų | 109.9 | 36% | 0.361 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -55.1 | 155.5 | -171 | 0 | 0 | 0 | 0 | 0 | 115.7 | K206 | G204-K206 PolarHBondContact O-N 3.36Š|
| 205 | C | 45.9 | Very low | 47.9 | Very low | 35 Ų | 35 | 109.9 Ų | 109.9 | 24% | 0.236 | 58% | 0.579 | C | S | . | * | P | Polyproline II helix | trans | -60.2 | 117 | -165.5 | -39.5 | 0 | 0 | 0 | 0 | 112.5 | F134 | F134-C205 HydrophobicContact CD1-CB 4.49Å; F134-C205 HydrophobicContact CE1-CB 3.75Å; F134-C205 HydrophobicContact CE2-CB 3.83Å; F134-C205 HydrophobicContact CZ-CB 3.4Å; F134-C205 VanDerWaalsContact CZ-CB 3.4Å |
| 206 | K | 42 | Very low | 47.8 | Very low | 179 Ų | 179 | 112.3 Ų | 112.3 | 78% | 0.778 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 123.9 | 172.8 | -64.4 | -179.8 | -179.1 | 174 | 0 | 109.5 | G204 | G204-K206 PolarHBondContact O-N 3.36Š|
| 207 | K | 35.7 | Very low | 47.2 | Very low | 185 Ų | 185 | 114.8 Ų | 114.8 | 80% | 0.804 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 138.2 | 162.7 | -73.6 | -175.7 | 171.7 | 67.4 | 0 | 108.7 | ||
| 208 | K | 37.8 | Very low | 46.9 | Very low | 273 Ų | 273 | 120.2 Ų | 120.2 | 100% | 1.187 | 62% | 0.62 | S | S | * | * | trans | -105.2 | 0 | 173.2 | -175.9 | 165.2 | -177.8 | 175.2 | 0 | 110.5 |
Retrieved 208 of 208 residues in 54.5 ms
(Link to these results)