| 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 | 44.8 | Very low | 42.4 | Very low | 227 Ų | 227 | 139.2 Ų | 139.2 | 100% | 1.118 | 79% | 0.794 | S | S | * | * | 0 | 62.1 | 0 | -67.5 | 170.4 | 172.5 | 0 | 0 | 107.7 | |||||
| 2 | E | 45.1 | Very low | 42.5 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | cis | 57 | 128.7 | 45.7 | -76.9 | -173.5 | 116.1 | 0 | 0 | 112.9 | ||||
| 3 | V | 41.9 | Very low | 42.4 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 67% | 0.673 | 79% | 0.792 | S | S | * | * | cis | -148.5 | 120.8 | -22.3 | -177.1 | 0 | 0 | 0 | 0 | 101.8 | ||||
| 4 | V | 45.8 | Very low | 42.4 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | 44.6 | 140.5 | 95.7 | 170.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 5 | E | 44.6 | Very low | 42.5 | Very low | 164 Ų | 164 | 146.3 Ų | 146.3 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | cis | 178.8 | 152.8 | -18.9 | -175.6 | -173.9 | 176.2 | 0 | 0 | 105.3 | ||||
| 6 | A | 42.2 | Very low | 42.2 | Very low | 91 Ų | 91 | 148.1 Ų | 148.1 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | 58.8 | 179.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 7 | A | 43.1 | Very low | 41.8 | Very low | 84 Ų | 84 | 148.9 Ų | 148.9 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | cis | -167.4 | 161.7 | -49.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 8 | V | 36.8 | Very low | 41.5 | Very low | 138 Ų | 138 | 143.9 Ų | 143.9 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | 64.5 | 112.7 | 140.3 | 168.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 9 | A | 40.8 | Very low | 41.3 | Very low | 80 Ų | 80 | 144.3 Ų | 144.3 | 66% | 0.661 | 80% | 0.801 | S | S | * | * | 67.1 | 128.3 | 129.2 | 0 | 0 | 0 | 0 | 0 | 125 | |||||
| 10 | Q | 42.3 | Very low | 41 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | 66.9 | 141.8 | 123.9 | -70.7 | -167.6 | 18.2 | 0 | 0 | 123.8 | |||||
| 11 | L | 39.3 | Very low | 40.9 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | 70.1 | 149 | 166 | -59.4 | 162.7 | 0 | 0 | 0 | 114 | ||||
| 12 | E | 43.1 | Very low | 40.5 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | cis | -151 | 179.7 | 35.2 | -143.2 | -177.5 | 168.9 | 0 | 0 | 114.2 | ||||
| 13 | T | 41.3 | Very low | 40.1 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | trans | -75.8 | 157.5 | -175.4 | 55.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 14 | L | 42.4 | Very low | 39.7 | Very low | 177 Ų | 177 | 135.6 Ų | 135.6 | 93% | 0.927 | 78% | 0.783 | S | S | * | * | trans | -149.3 | 141.9 | 147.8 | -112.4 | 169.7 | 0 | 0 | 0 | 115 | ||||
| 15 | K | 43.3 | Very low | 39.4 | Very low | 190 Ų | 190 | 139.5 Ų | 139.5 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -72.1 | 145.1 | -164.4 | -96.3 | 164.8 | 168.5 | 167.6 | 0 | 117.5 | ||||
| 16 | F | 38.3 | Very low | 38.8 | Very low | 176 Ų | 176 | 135.1 Ų | 135.1 | 77% | 0.772 | 79% | 0.791 | S | S | * | * | 51.8 | 117.1 | 120.7 | -153.3 | -89.3 | 0 | 0 | 0 | 120.4 | |||||
| 17 | N | 36.3 | Very low | 39.2 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | -158.2 | 141.8 | 128.4 | -100.7 | -11 | 0 | 0 | 0 | 108.3 | |||||
| 18 | G | 35.1 | Very low | 38.8 | Very low | 59 Ų | 59 | 138.3 Ų | 138.3 | 61% | 0.608 | 81% | 0.806 | S | S | * | * | trans | -128.9 | 157.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 19 | T | 38.5 | Very low | 38.7 | Very low | 151 Ų | 151 | 136 Ų | 136 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | trans | -149.4 | 138.7 | 154.1 | 1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 20 | D | 35.2 | Very low | 38.5 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -71.9 | 153 | 177.4 | 175.6 | 57.5 | 0 | 0 | 0 | 112.4 | ||||
| 21 | F | 38.7 | Very low | 38.3 | Very low | 212 Ų | 212 | 136.3 Ų | 136.3 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | trans | -156.1 | 106.1 | 155.7 | -110.4 | -72 | 0 | 0 | 0 | 110.5 | ||||
| 22 | G | 36.1 | Very low | 39 | Very low | 59 Ų | 59 | 135 Ų | 135 | 61% | 0.608 | 81% | 0.813 | S | S | * | * | trans | -93.5 | 166.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 23 | V | 38 | Very low | 38.4 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 92% | 0.915 | 81% | 0.807 | S | S | * | * | trans | -117.2 | 140 | 161 | 173.9 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 24 | G | 32.4 | Very low | 38.2 | Very low | 64 Ų | 64 | 130.4 Ų | 130.4 | 66% | 0.66 | 82% | 0.817 | S | S | * | * | cis | 147.5 | 119.9 | -3.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 25 | E | 39.9 | Very low | 38.1 | Very low | 209 Ų | 209 | 126.5 Ų | 126.5 | 98% | 0.977 | 81% | 0.81 | S | S | * | * | trans | -178.4 | 157.8 | 163.9 | -114.2 | -168.7 | 101 | 0 | 0 | 111.9 | ||||
| 26 | G | 31 | Very low | 38.4 | Very low | 71 Ų | 71 | 123.5 Ų | 123.5 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | 109.6 | 128.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 27 | P | 51.1 | Low | 38.4 | Very low | 134 Ų | 134 | 119.4 Ų | 119.4 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | trans | -117.1 | 157.9 | -162.2 | 41.3 | -32.7 | 0 | 0 | 0 | 116.6 | ||||
| 28 | A | 34.9 | Very low | 39.2 | Very low | 108 Ų | 108 | 118 Ų | 118 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | -161.4 | 153.4 | 150.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 29 | A | 35.1 | Very low | 38.9 | Very low | 91 Ų | 91 | 118.3 Ų | 118.3 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -96.9 | 155.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 30 | T | 35.5 | Very low | 38.6 | Very low | 146 Ų | 146 | 118 Ų | 118 | 90% | 0.896 | 81% | 0.809 | S | S | * | * | trans | -168.5 | 138.7 | 130.4 | 11 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 31 | S | 38.2 | Very low | 38.6 | Very low | 112 Ų | 112 | 119.9 Ų | 119.9 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | trans | -93.3 | -173 | 171.4 | -45.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 32 | P | 55 | Low | 39.2 | Very low | 130 Ų | 130 | 115.1 Ų | 115.1 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | cis | -139.4 | -177.7 | 3.7 | 42.6 | -24 | 0 | 0 | 0 | 116.1 | ||||
| 33 | G | 30.2 | Very low | 40.2 | Very low | 70 Ų | 70 | 117.2 Ų | 117.2 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | 165.8 | 87.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 34 | S | 36.5 | Very low | 39.9 | Very low | 131 Ų | 131 | 116.4 Ų | 116.4 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | 56.5 | 126.5 | 151.5 | -60.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 35 | A | 41.7 | Very low | 39.9 | Very low | 94 Ų | 94 | 121.2 Ų | 121.2 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | -85.1 | -178 | 156 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 36 | P | 49 | Very low | 39.5 | Very low | 128 Ų | 128 | 115.8 Ų | 115.8 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | cis | -138.4 | -179 | 38.3 | 38.7 | -17 | 0 | 0 | 0 | 117 | ||||
| 37 | A | 38 | Very low | 39.4 | Very low | 89 Ų | 89 | 121.3 Ų | 121.3 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -97.8 | -158.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 38 | P | 53.3 | Low | 38.4 | Very low | 133 Ų | 133 | 123.7 Ų | 123.7 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | cis | -133.7 | -178.2 | -21.3 | 38.3 | -20.9 | 0 | 0 | 0 | 114.2 | ||||
| 39 | G | 28 | Very low | 38.1 | Very low | 65 Ų | 65 | 122 Ų | 122 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | trans | 134.2 | 139.5 | 139.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 40 | T | 34 | Very low | 38 | Very low | 146 Ų | 146 | 123.4 Ų | 123.4 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | trans | 87.2 | 106.8 | 134.9 | -45.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 41 | Q | 34.5 | Very low | 38.8 | Very low | 175 Ų | 175 | 121.5 Ų | 121.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -75.1 | 171.8 | 149.4 | -66.2 | -168.5 | -22.8 | 0 | 0 | 110.1 | ||||
| 42 | P | 51.1 | Low | 38.5 | Very low | 111 Ų | 111 | 122.9 Ų | 122.9 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | cis | -148.1 | -135.4 | 28.2 | 37.8 | -9.7 | 0 | 0 | 0 | 113.7 | ||||
| 43 | P | 56.5 | Low | 37.5 | Very low | 104 Ų | 104 | 122.5 Ų | 122.5 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | -131.8 | -172.4 | -74.5 | 32.9 | -11.8 | 0 | 0 | 0 | 117 | |||||
| 44 | L | 32.5 | Very low | 37.5 | Very low | 133 Ų | 133 | 122 Ų | 122 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | trans | 89.6 | 129.6 | 150.1 | -61.4 | -178.2 | 0 | 0 | 0 | 122.9 | ||||
| 45 | Q | 32.1 | Very low | 37.4 | Very low | 165 Ų | 165 | 124.6 Ų | 124.6 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | trans | 58.3 | 154.5 | 131.4 | -65.6 | 172.8 | -11 | 0 | 0 | 119.3 | ||||
| 46 | S | 30.6 | Very low | 36.7 | Very low | 96 Ų | 96 | 125 Ų | 125 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | cis | -167.3 | 168.4 | 6.8 | 21 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 47 | F | 30.8 | Very low | 36 | Very low | 186 Ų | 186 | 124.9 Ų | 124.9 | 82% | 0.816 | 75% | 0.754 | S | S | * | * | trans | 13.3 | 151.6 | 146 | -58.9 | -80.4 | 0 | 0 | 0 | 120.6 | ||||
| 48 | E | 29.8 | Very low | 35.5 | Very low | 184 Ų | 184 | 128.9 Ų | 128.9 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | cis | -170 | 176.1 | 20.3 | -139.2 | 160.6 | 101.3 | 0 | 0 | 110 | ||||
| 49 | G | 26.8 | Very low | 34.4 | Very low | 74 Ų | 74 | 128 Ų | 128 | 76% | 0.763 | 75% | 0.75 | S | S | * | * | trans | 114.5 | 97.3 | 149.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 50 | S | 33.3 | Very low | 34.6 | Very low | 119 Ų | 119 | 135 Ų | 135 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -87 | -167.8 | 147.7 | -51.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 51 | P | 52.2 | Low | 34.2 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | cis | -148.8 | -161.7 | 15.1 | 43 | -19.4 | 0 | 0 | 0 | 117 | ||||
| 52 | D | 33.1 | Very low | 34 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | trans | 68.8 | 151.1 | 149.3 | -86.5 | 12.7 | 0 | 0 | 0 | 120.1 | ||||
| 53 | T | 33.1 | Very low | 32.9 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | cis | -154.3 | 162.6 | -8.6 | 6.8 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 54 | G | 30.7 | Very low | 31.6 | Very low | 58 Ų | 58 | 133 Ų | 133 | 60% | 0.598 | 77% | 0.77 | S | S | * | * | cis | 160.9 | 160.6 | 5.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 55 | Q | 33.8 | Very low | 31.5 | Very low | 187 Ų | 187 | 135.7 Ų | 135.7 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | 61.5 | 145.1 | 134.3 | -73.5 | -167.3 | 43.6 | 0 | 0 | 120.9 | ||||
| 56 | T | 28.5 | Very low | 31.7 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 63% | 0.626 | 78% | 0.777 | S | S | * | * | cis | -161.2 | 152.6 | -2.4 | -76.9 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 57 | V | 33.1 | Very low | 31.7 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | -177.3 | 172.3 | 81.9 | -131.5 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 58 | E | 28.2 | Very low | 31.6 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | cis | -143.1 | -134.9 | 2.9 | -158.5 | 179.2 | 85 | 0 | 0 | 110.5 | ||||
| 59 | V | 30.7 | Very low | 31.7 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | -145.4 | 138.3 | -167.5 | 172 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 60 | K | 30.4 | Very low | 31.8 | Very low | 212 Ų | 212 | 133.7 Ų | 133.7 | 92% | 0.922 | 78% | 0.779 | S | S | * | * | trans | -155 | 163.7 | 139.6 | -125.4 | 173.1 | -176.6 | 175.4 | 0 | 112.6 | ||||
| 61 | T | 27.5 | Very low | 31.7 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | -125.1 | 151.5 | -139.7 | -47 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 62 | A | 29.2 | Very low | 30.6 | Very low | 104 Ų | 104 | 137 Ų | 137 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | 66.3 | 145.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 63 | G | 27.4 | Very low | 30.6 | Very low | 74 Ų | 74 | 134.8 Ų | 134.8 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | cis | 177.1 | 161.7 | -1.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 64 | E | 30.8 | Very low | 30.4 | Very low | 197 Ų | 197 | 136 Ų | 136 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | cis | -140.8 | 156.3 | 10.2 | -73.5 | 166.7 | 66.4 | 0 | 0 | 110.5 | ||||
| 65 | Q | 30.4 | Very low | 30.4 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -111.5 | 152.1 | 159.5 | -91 | -164 | -13.2 | 0 | 0 | 109.5 | ||||
| 66 | P | 34.6 | Very low | 30.3 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | trans | -89.6 | 128.6 | 178.4 | 34 | -31.3 | 0 | 0 | 0 | 112.1 | ||||
| 67 | L | 30.6 | Very low | 30.3 | Very low | 167 Ų | 167 | 132.2 Ų | 132.2 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -162.9 | 136.1 | 153.5 | -85.2 | -163.4 | 0 | 0 | 0 | 113.4 | ||||
| 68 | Q | 29.5 | Very low | 30.3 | Very low | 178 Ų | 178 | 133.1 Ų | 133.1 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | 136.3 | 120.1 | 149.1 | -77.1 | -177.6 | 73.8 | 0 | 0 | 111.4 | ||||
| 69 | A | 31 | Very low | 31.2 | Very low | 87 Ų | 87 | 130.6 Ų | 130.6 | 72% | 0.719 | 81% | 0.806 | S | S | * | * | 72.4 | 147.6 | 78.1 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 70 | V | 29.2 | Very low | 31.2 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 71% | 0.709 | 81% | 0.811 | S | S | * | * | cis | -157.4 | 179.6 | 32.7 | -164.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 71 | L | 31.4 | Very low | 31.3 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 75% | 0.749 | 81% | 0.807 | S | S | * | * | trans | 95.2 | 135 | 156.6 | -46.4 | 176 | 0 | 0 | 0 | 117.6 | ||||
| 72 | N | 29.5 | Very low | 31.8 | Very low | 151 Ų | 151 | 128 Ų | 128 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | cis | -160.8 | 163 | -18.6 | -113 | -3.7 | 0 | 0 | 0 | 110.4 | ||||
| 73 | A | 32 | Very low | 32.4 | Very low | 96 Ų | 96 | 128.8 Ų | 128.8 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | -112 | 162 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 74 | V | 29.1 | Very low | 32.7 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | trans | -173 | 152.6 | 153 | 129.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 75 | A | 31.7 | Very low | 33.5 | Very low | 86 Ų | 86 | 129.4 Ų | 129.4 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | cis | -173.9 | 156.6 | -41.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 76 | A | 30.8 | Very low | 34.3 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | trans | 90.7 | 126.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 77 | G | 29.3 | Very low | 35.2 | Very low | 73 Ų | 73 | 125.9 Ų | 125.9 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | cis | 111.3 | 111.5 | 29.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 78 | T | 33.7 | Very low | 36.5 | Very low | 143 Ų | 143 | 123.3 Ų | 123.3 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | -164.8 | 149.6 | 54 | -56 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 79 | P | 46.6 | Very low | 37.4 | Very low | 121 Ų | 121 | 120.3 Ų | 120.3 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -117.6 | 155.6 | 175 | 39.9 | -30.3 | 0 | 0 | 0 | 115.6 | ||||
| 80 | A | 30.6 | Very low | 37.5 | Very low | 96 Ų | 96 | 120 Ų | 120 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | trans | 160.4 | 141 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 81 | S | 33.2 | Very low | 37.5 | Very low | 119 Ų | 119 | 123.6 Ų | 123.6 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | cis | -158.4 | 157.9 | -8.9 | -82.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 82 | Q | 38.1 | Very low | 37.7 | Very low | 177 Ų | 177 | 122 Ų | 122 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -74.9 | -177.2 | 170.6 | -97.3 | -178.5 | -39.9 | 0 | 0 | 113.3 | ||||
| 83 | P | 41.3 | Very low | 38.5 | Very low | 120 Ų | 120 | 121 Ų | 121 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | cis | -137.8 | -174.3 | 13.9 | 30 | -4.2 | 0 | 0 | 0 | 118.1 | ||||
| 84 | Q | 33.4 | Very low | 38.5 | Very low | 174 Ų | 174 | 120.7 Ų | 120.7 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -96.9 | -162.4 | 176.2 | -37 | 170.1 | -76.8 | 0 | 0 | 111.9 | ||||
| 85 | P | 46.5 | Very low | 38.5 | Very low | 111 Ų | 111 | 120 Ų | 120 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | cis | -130.2 | -128.3 | -19.2 | 28.3 | -1.1 | 0 | 0 | 0 | 113.8 | ||||
| 86 | P | 48.1 | Very low | 38.5 | Very low | 112 Ų | 112 | 119.8 Ų | 119.8 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | -115.4 | -141.9 | -99.2 | 38.9 | -18.6 | 0 | 0 | 0 | 117.1 | |||||
| 87 | P | 53.8 | Low | 38.4 | Very low | 117 Ų | 117 | 118.7 Ų | 118.7 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | -112 | -132.9 | -108.4 | 33 | -9.7 | 0 | 0 | 0 | 118.3 | |||||
| 88 | P | 57.9 | Low | 38.4 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | -102.2 | -157.4 | -123.3 | 41.4 | -21.3 | 0 | 0 | 0 | 113.6 | |||||
| 89 | P | 48.3 | Very low | 38.3 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | cis | -147.2 | -164.6 | 7.1 | 44.7 | -22.2 | 0 | 0 | 0 | 118.7 | ||||
| 90 | A | 33.4 | Very low | 37.6 | Very low | 79 Ų | 79 | 127.6 Ų | 127.6 | 65% | 0.653 | 80% | 0.803 | S | S | * | * | trans | 87.2 | 126.6 | 142.6 | 0 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 91 | E | 29 | Very low | 37.8 | Very low | 193 Ų | 193 | 128.3 Ų | 128.3 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | 78 | 158.1 | 136 | -68.6 | -172.4 | 128.3 | 0 | 0 | 125.3 | ||||
| 92 | S | 36 | Very low | 38.8 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -77.4 | 172.5 | -160.3 | -40.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 93 | P | 46.5 | Very low | 38.3 | Very low | 131 Ų | 131 | 124 Ų | 124 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | -150 | 179.2 | 91.4 | 37.8 | -18.6 | 0 | 0 | 0 | 117.5 | |||||
| 94 | A | 31.6 | Very low | 37.9 | Very low | 89 Ų | 89 | 122.7 Ų | 122.7 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | -68.8 | 172.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 95 | C | 29.4 | Very low | 37.9 | Very low | 134 Ų | 134 | 124.2 Ų | 124.2 | 91% | 0.905 | 80% | 0.804 | S | S | * | * | -166.4 | 170.8 | 56.1 | -56.5 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 96 | G | 30.7 | Very low | 37.2 | Very low | 81 Ų | 81 | 126.7 Ų | 126.7 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | cis | 169 | 175.6 | 0.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 97 | G | 28.4 | Very low | 37.1 | Very low | 86 Ų | 86 | 126.9 Ų | 126.9 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | 151.5 | 109.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 98 | W | 29.7 | Very low | 36.2 | Very low | 256 Ų | 256 | 125 Ų | 125 | 97% | 0.97 | 80% | 0.802 | S | S | * | * | trans | -109 | 139.3 | 179 | -112.8 | -5.2 | 0 | 0 | 0 | 111.2 | ||||
| 99 | V | 32.8 | Very low | 35.1 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | trans | -148.2 | 108.8 | 143 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 100 | T | 31.2 | Very low | 34.3 | Very low | 130 Ų | 130 | 131 Ų | 131 | 80% | 0.798 | 82% | 0.817 | S | S | * | * | trans | 25.8 | 132.5 | 140.6 | -21.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 101 | S | 35.3 | Very low | 34.7 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | -85.8 | -157.7 | 165.8 | -29.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 102 | P | 53.6 | Low | 35.1 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | cis | -147.1 | 173 | 17.4 | 43.8 | -22.8 | 0 | 0 | 0 | 120.4 | ||||
| 103 | G | 27.8 | Very low | 35.2 | Very low | 78 Ų | 78 | 128.6 Ų | 128.6 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 97.8 | 152.3 | 146.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 104 | A | 33.4 | Very low | 35.1 | Very low | 92 Ų | 92 | 129.6 Ų | 129.6 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | cis | -170.7 | 167.9 | -13.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 105 | K | 31.8 | Very low | 35.6 | Very low | 206 Ų | 206 | 133.2 Ų | 133.2 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | trans | 100.4 | 114.2 | 157.1 | -58.6 | -176.9 | 179.2 | -179.7 | 0 | 121.1 | ||||
| 106 | E | 32 | Very low | 35.9 | Very low | 163 Ų | 163 | 133 Ų | 133 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -71.3 | -179.9 | 147.1 | -131 | -149.5 | 102.6 | 0 | 0 | 110.4 | A108 | E106-A108 PolarHBondContact OE1-N 3.04Š| ||
| 107 | P | 47 | Very low | 36.2 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | cis | -152.6 | 167.4 | 42.8 | 43 | -20.1 | 0 | 0 | 0 | 122.2 | ||||
| 108 | A | 34.2 | Very low | 36.6 | Very low | 77 Ų | 77 | 136.4 Ų | 136.4 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | trans | 55.8 | 115.7 | 135.8 | 0 | 0 | 0 | 0 | 0 | 126.4 | E106 | E106-A108 PolarHBondContact OE1-N 3.04Š| ||
| 109 | R | 35 | Very low | 37.1 | Very low | 250 Ų | 250 | 129 Ų | 129 | 94% | 0.943 | 78% | 0.777 | S | S | * | * | 58.4 | 126.9 | 106.8 | -155.9 | -177.6 | -164.4 | 173.5 | 5.3 | 123.5 | |||||
| 110 | A | 31.9 | Very low | 37.5 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -158.8 | 167.3 | 151.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 111 | A | 40.6 | Very low | 37.9 | Very low | 82 Ų | 82 | 127.6 Ų | 127.6 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | -157.4 | 172.6 | -172 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 112 | N | 38.5 | Very low | 38.1 | Very low | 154 Ų | 154 | 130.2 Ų | 130.2 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | 77.6 | 159 | 169.2 | -34.8 | -17.9 | 0 | 0 | 0 | 115.5 | ||||
| 113 | S | 37.8 | Very low | 37.7 | Very low | 95 Ų | 95 | 129 Ų | 129 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | cis | -176.9 | 152.4 | 1.7 | 25.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 114 | L | 44.5 | Very low | 38.3 | Very low | 152 Ų | 152 | 133 Ų | 133 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | 50.2 | 166.9 | 150.1 | -77.6 | 91.9 | 0 | 0 | 0 | 121 | ||||
| 115 | E | 41.5 | Very low | 38.8 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | cis | 170.2 | 148.5 | -32.2 | -95 | -151.3 | 129.2 | 0 | 0 | 107.4 | ||||
| 116 | T | 35.8 | Very low | 39.2 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -179.4 | 120.8 | 156.8 | 46 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 117 | S | 37.7 | Very low | 39.5 | Very low | 98 Ų | 98 | 127.9 Ų | 127.9 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | 71.7 | 144.8 | 78.8 | -65.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 118 | D | 37.2 | Very low | 38.9 | Very low | 139 Ų | 139 | 130 Ų | 130 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | cis | -174.5 | 155.5 | -20.3 | -90.3 | -46.7 | 0 | 0 | 0 | 108.3 | ||||
| 119 | S | 39.8 | Very low | 39.1 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | 55.8 | 160.6 | 151.3 | -74.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 120 | D | 40.4 | Very low | 39.4 | Very low | 143 Ų | 143 | 126.2 Ų | 126.2 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | cis | -160.8 | 167.1 | -14.9 | -104.2 | -40.2 | 0 | 0 | 0 | 110.8 | ||||
| 121 | S | 40.9 | Very low | 39.8 | Very low | 96 Ų | 96 | 126 Ų | 126 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | trans | 1.9 | 146.8 | 163 | -53.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 122 | D | 39.9 | Very low | 39.9 | Very low | 165 Ų | 165 | 128.4 Ų | 128.4 | 88% | 0.882 | 75% | 0.746 | S | S | * | * | -173.3 | 165.1 | 95.7 | -94.8 | -34.4 | 0 | 0 | 0 | 114.6 | |||||
| 123 | S | 44.8 | Very low | 40 | Very low | 102 Ų | 102 | 125.8 Ų | 125.8 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | trans | -86.2 | 167.4 | -169.5 | -59.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 124 | D | 40.1 | Very low | 40.3 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 88% | 0.877 | 74% | 0.74 | S | S | * | * | -168.5 | 160 | 114.6 | -95.8 | -28.3 | 0 | 0 | 0 | 113.7 | |||||
| 125 | S | 43.1 | Very low | 40.2 | Very low | 101 Ų | 101 | 124 Ų | 124 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | -77.1 | 166 | -170.6 | -57 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 126 | D | 40.3 | Very low | 40.3 | Very low | 161 Ų | 161 | 121.1 Ų | 121.1 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | -173.5 | 153.7 | 104.7 | -88.1 | -21 | 0 | 0 | 0 | 113.3 | |||||
| 127 | S | 38.8 | Very low | 40.5 | Very low | 90 Ų | 90 | 120.2 Ų | 120.2 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | trans | -77.5 | 167.2 | 179.9 | 39.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 128 | E | 35.4 | Very low | 40.6 | Very low | 161 Ų | 161 | 120.1 Ų | 120.1 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | -164.5 | 168.8 | 80.9 | -81.5 | -52.6 | 139 | 0 | 0 | 113.2 | |||||
| 129 | T | 38.3 | Very low | 40.8 | Very low | 108 Ų | 108 | 118.7 Ų | 118.7 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | trans | -84.5 | 163.4 | -175.5 | 58.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 130 | D | 39.9 | Very low | 40.6 | Very low | 139 Ų | 139 | 119.4 Ų | 119.4 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | 173.1 | 120.1 | 118.8 | -79.6 | -11.4 | 0 | 0 | 0 | 107.7 | |||||
| 131 | S | 40.8 | Very low | 40.8 | Very low | 99 Ų | 99 | 117.9 Ų | 117.9 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | 49.8 | 129.5 | 82.3 | -90.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 132 | D | 43.3 | Very low | 40.5 | Very low | 133 Ų | 133 | 119.3 Ų | 119.3 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | cis | -153.3 | 153.1 | 26 | -113.2 | -51.5 | 0 | 0 | 0 | 113.6 | ||||
| 133 | S | 40.7 | Very low | 40.5 | Very low | 98 Ų | 98 | 116.8 Ų | 116.8 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | 34.2 | 145.7 | 127.1 | -52.6 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 134 | S | 43.6 | Very low | 40 | Very low | 97 Ų | 97 | 117.2 Ų | 117.2 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | cis | -167.8 | 147.7 | 19.9 | -0.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 135 | S | 43 | Very low | 39.7 | Very low | 112 Ų | 112 | 115.3 Ų | 115.3 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | trans | 63.4 | 153 | 132.5 | -49.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 136 | S | 42.2 | Very low | 39.7 | Very low | 106 Ų | 106 | 116.2 Ų | 116.2 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | cis | 178.2 | 158.4 | 7.6 | 25 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 137 | S | 41 | Very low | 39.4 | Very low | 111 Ų | 111 | 114.5 Ų | 114.5 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | cis | -168.2 | 178.1 | -12.5 | -69 | 0 | 0 | 0 | 0 | 103.7 | ||||
| 138 | S | 39.4 | Very low | 39.7 | Very low | 97 Ų | 97 | 115.8 Ų | 115.8 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | cis | -160.4 | 142.9 | 2 | 1.9 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 139 | S | 40.2 | Very low | 39.7 | Very low | 109 Ų | 109 | 113.9 Ų | 113.9 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | 63.8 | 139.2 | 85.9 | -31.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 140 | S | 37.4 | Very low | 40 | Very low | 116 Ų | 116 | 114.6 Ų | 114.6 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | cis | -155.9 | 163.7 | 16.7 | -48.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 141 | S | 44 | Very low | 40 | Very low | 111 Ų | 111 | 115.4 Ų | 115.4 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -66.6 | 162.4 | 166.3 | -22.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 142 | S | 34 | Very low | 39.9 | Very low | 126 Ų | 126 | 116.1 Ų | 116.1 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | -174.5 | 154.8 | 129.8 | -82.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 143 | S | 39.8 | Very low | 40.1 | Very low | 112 Ų | 112 | 117.1 Ų | 117.1 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -98 | 168 | -175.7 | -50.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 144 | S | 35.3 | Very low | 40.1 | Very low | 111 Ų | 111 | 118 Ų | 118 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | 99.3 | 132.2 | 145.4 | -54 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 145 | S | 33.5 | Very low | 40.2 | Very low | 123 Ų | 123 | 118.4 Ų | 118.4 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | 84.1 | 129.7 | 146.1 | -60.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 146 | S | 42.3 | Very low | 40.3 | Very low | 121 Ų | 121 | 120 Ų | 120 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -64.6 | 142.2 | 176.5 | -41.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 147 | S | 35 | Very low | 40.4 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -169.7 | 151.8 | 131 | -115.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 148 | S | 45 | Very low | 40.4 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -65.3 | 140.8 | -173.2 | -41.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 149 | S | 34.3 | Very low | 40.7 | Very low | 122 Ų | 122 | 126 Ų | 126 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | trans | -166.7 | 141 | 144.8 | -83.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 150 | C | 45.2 | Very low | 40.8 | Very low | 122 Ų | 122 | 124 Ų | 124 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -85.2 | 135.2 | -178.1 | 47.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 151 | I | 39.7 | Very low | 41.2 | Very low | 156 Ų | 156 | 125.9 Ų | 125.9 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | trans | -134.4 | 115.3 | 164.4 | -57.2 | -177.5 | 0 | 0 | 0 | 108.5 | ||||
| 152 | S | 39.6 | Very low | 41.3 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -80 | 136 | 179.3 | -54 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 153 | L | 46.4 | Very low | 42 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | trans | -113.9 | 142.5 | 163.9 | -63.8 | 178.3 | 0 | 0 | 0 | 109.3 | ||||
| 154 | P | 40.9 | Very low | 42.4 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | trans | -76.2 | 136 | -174.5 | 30 | -34.2 | 0 | 0 | 0 | 111.7 | ||||
| 155 | P | 46.9 | Very low | 43 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 68% | 0.682 | 81% | 0.813 | S | S | * | * | trans | -74.9 | 134.1 | 172.2 | 30.9 | -32.6 | 0 | 0 | 0 | 110.5 | L157 | P155-L157 PolarHBondContact O-N 3.47Š| ||
| 156 | V | 43.6 | Very low | 43.5 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -69.7 | 114 | 163.7 | 174.2 | 0 | 0 | 0 | 0 | 107.2 | S158 | V156-S158 PolarHBondContact O-N 3.14Š| ||
| 157 | L | 44.3 | Very low | 43.6 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -69.6 | 115.9 | 177.4 | -61.5 | 175.1 | 0 | 0 | 0 | 109.3 | P155 | P155-L157 PolarHBondContact O-N 3.47Š| ||
| 158 | S | 41.4 | Very low | 44.4 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | trans | -84.8 | 119.8 | 157.5 | -172.3 | 0 | 0 | 0 | 0 | 107.5 | V156 | V156-S158 PolarHBondContact O-N 3.14Š| ||
| 159 | D | 47 | Very low | 44.3 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | -60.2 | 138.9 | 175.1 | -161.8 | 50.3 | 0 | 0 | 0 | 110.5 | ||||
| 160 | G | 41.2 | Very low | 44.9 | Very low | 68 Ų | 68 | 141.7 Ų | 141.7 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | 158.3 | 81.6 | -169 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 161 | D | 45.4 | Very low | 45.3 | Very low | 155 Ų | 155 | 141 Ų | 141 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | -81.1 | 113.5 | -176.5 | 53.4 | -39 | 0 | 0 | 0 | 113.3 | ||||
| 162 | D | 47.3 | Very low | 46.1 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | -149.1 | 126.8 | 142.7 | -144.3 | -19.8 | 0 | 0 | 0 | 109.8 | ||||
| 163 | D | 47.8 | Very low | 47 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 64% | 0.642 | 77% | 0.768 | S | S | * | * | trans | -98 | 96.8 | -167.2 | 178 | 30.3 | 0 | 0 | 0 | 111.3 | ||||
| 164 | L | 47.5 | Very low | 48.1 | Very low | 165 Ų | 165 | 139 Ų | 139 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -133.5 | 100.4 | 157.8 | -75 | -179.2 | 0 | 0 | 0 | 110.7 | V166 | L164-V166 PolarHBondContact O-N 3.22Š| ||
| 165 | Q | 48.3 | Very low | 49.3 | Very low | 177 Ų | 177 | 142.1 Ų | 142.1 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | -60.4 | 101.8 | 168.6 | -66.2 | 166.4 | 47.5 | 0 | 0 | 110.5 | ||||
| 166 | V | 45.3 | Very low | 50.3 | Low | 135 Ų | 135 | 140.7 Ų | 140.7 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -110.5 | 135.2 | 157.1 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | L164 | L164-V166 PolarHBondContact O-N 3.22Š| ||
| 167 | E | 44 | Very low | 51.6 | Low | 180 Ų | 180 | 135.6 Ų | 135.6 | 84% | 0.841 | 72% | 0.719 | S | S | * | * | trans | -57.1 | 140.8 | -169.9 | -68.8 | -176.9 | 117.9 | 0 | 0 | 112.7 | E169 | E167-E169 PolarHBondContact O-N 3.13Š| ||
| 168 | K | 50.8 | Low | 52.9 | Low | 199 Ų | 199 | 137.3 Ų | 137.3 | 87% | 0.865 | 72% | 0.72 | S | S | * | * | trans | -72 | 68.6 | -179.9 | -173.2 | 178.1 | 178 | 174.6 | 0 | 110.8 | N170 | K168-N170 PolarHBondContact O-N 3.13Š| ||
| 169 | E | 44.3 | Very low | 54.3 | Low | 121 Ų | 121 | 137.2 Ų | 137.2 | 57% | 0.565 | 71% | 0.71 | S | S | * | * | trans | -72.1 | 96.5 | 162.5 | 53.1 | 166.6 | -136.5 | 0 | 0 | 109.4 | E167 K171 | E167-E169 PolarHBondContact O-N 3.13Å; E169-K171 HydrophobicContact CB-CG 4.45Å; E169-K171 PolarHBondContact O-N 3.03Å; E169-K171 WeakPolarHBondContact OE1-CD 3.04Å; E169-K171 VanDerWaalsContact OE1-CE 3.29Å; E169-K171 WeakPolarHBondContact OE1-CE 2.86Å; E169-K171 IonicContact OE1-NZ 3.82Å; E169-K171 PolarHBondContact OE1-NZ 3.46Å; E169-K171 WeakPolarHBondContact OE2-CE 3.48Å; E169-K171 IonicContact OE2-NZ 2.56Å; E169-K171 PolarHBondContact OE2-NZ 3.46Å | ||
| 170 | N | 47 | Very low | 55.8 | Low | 138 Ų | 138 | 133.5 Ų | 133.5 | 74% | 0.738 | 69% | 0.687 | S | S | * | * | trans | -68.6 | 59.6 | 168.1 | 55.7 | -25.9 | 0 | 0 | 0 | 111.3 | K168 N172 | K168-N170 PolarHBondContact O-N 3.13Å; N170-N172 PolarHBondContact O-N 3.43Å; N170-N172 PolarHBondContact O-OD1 3.03Å | ||
| 171 | K | 53.6 | Low | 57.5 | Low | 108 Ų | 108 | 136.1 Ų | 136.1 | 47% | 0.47 | 69% | 0.685 | S | S | . | * | trans | -74.1 | 117.8 | 162 | -68.5 | 177.1 | -173.7 | 156.4 | 0 | 107.3 | E169 F173 | E169-K171 HydrophobicContact CB-CG 4.45Å; E169-K171 PolarHBondContact O-N 3.03Å; E169-K171 WeakPolarHBondContact OE1-CD 3.04Å; E169-K171 VanDerWaalsContact OE1-CE 3.29Å; E169-K171 WeakPolarHBondContact OE1-CE 2.86Å; E169-K171 IonicContact OE1-NZ 3.82Å; E169-K171 PolarHBondContact OE1-NZ 3.46Å; E169-K171 WeakPolarHBondContact OE2-CE 3.48Å; E169-K171 IonicContact OE2-NZ 2.56Å; E169-K171 PolarHBondContact OE2-NZ 3.46Å; K171-F173 HydrophobicContact CB-CD2 3.62Å; K171-F173 HydrophobicContact CB-CE1 4.48Å; K171-F173 HydrophobicContact CB-CE2 3.38Å; K171-F173 HydrophobicContact CB-CG 4.3Å; K171-F173 HydrophobicContact CB-CZ 3.86Å; K171-F173 HydrophobicContact CD-CE1 4.42Å; K171-F173 HydrophobicContact CD-CE2 3.48Å; K171-F173 VanDerWaalsContact CD-CE2 3.48Å; K171-F173 HydrophobicContact CD-CZ 3.41Å; K171-F173 VanDerWaalsContact CD-CZ 3.41Å; K171-F173 HydrophobicContact CG-CE2 4.06Å; K171-F173 HydrophobicContact CG-CZ 4.26Å; K171-F173 PolarHBondContact O-N 2.86Å | ||
| 172 | N | 56 | Low | 59.2 | Low | 162 Ų | 162 | 131 Ų | 131 | 87% | 0.866 | 66% | 0.657 | S | S | * | * | trans | -69.8 | 63.3 | 172.6 | -68 | 57.7 | 0 | 0 | 0 | 110.5 | N170 | N170-N172 PolarHBondContact O-N 3.43Å; N170-N172 PolarHBondContact O-OD1 3.03Å | ||
| 173 | F | 58.2 | Low | 60.7 | Low | 132 Ų | 132 | 125.1 Ų | 125.1 | 58% | 0.579 | 63% | 0.625 | S | S | * | * | trans | -67.3 | 140.7 | 168.8 | -66.7 | -63 | 0 | 0 | 0 | 109.3 | K171 | K171-F173 HydrophobicContact CB-CD2 3.62Å; K171-F173 HydrophobicContact CB-CE1 4.48Å; K171-F173 HydrophobicContact CB-CE2 3.38Å; K171-F173 HydrophobicContact CB-CG 4.3Å; K171-F173 HydrophobicContact CB-CZ 3.86Å; K171-F173 HydrophobicContact CD-CE1 4.42Å; K171-F173 HydrophobicContact CD-CE2 3.48Å; K171-F173 VanDerWaalsContact CD-CE2 3.48Å; K171-F173 HydrophobicContact CD-CZ 3.41Å; K171-F173 VanDerWaalsContact CD-CZ 3.41Å; K171-F173 HydrophobicContact CG-CE2 4.06Å; K171-F173 HydrophobicContact CG-CZ 4.26Å; K171-F173 PolarHBondContact O-N 2.86Å | ||
| 174 | P | 69.1 | Low | 62.1 | Low | 87 Ų | 87 | 125.6 Ų | 125.6 | 57% | 0.565 | 63% | 0.628 | S | S | * | * | trans | -49.4 | 145.3 | 162.2 | -25.5 | 35.1 | 0 | 0 | 0 | 110.2 | K176 | P174-K176 PolarHBondContact O-N 3.46Š| ||
| 175 | L | 66.8 | Low | 63.8 | Low | 183 Ų | 183 | 122.5 Ų | 122.5 | 96% | 0.958 | 61% | 0.609 | S | S | * | * | trans | -65.1 | 106.8 | 173.5 | -71.1 | 170.2 | 0 | 0 | 0 | 108.4 | ||||
| 176 | K | 67.4 | Low | 65.6 | Low | 75 Ų | 75 | 116.3 Ų | 116.3 | 33% | 0.326 | 58% | 0.581 | S | S | . | * | trans | -96.5 | 143 | 177.2 | -60.5 | -177.3 | 73 | -167 | 0 | 111.3 | P174 E180 L182 E185 | P174-K176 PolarHBondContact O-N 3.46Å; K176-E180 VanDerWaalsContact CA-OE2 3.23Å; K176-E180 WeakPolarHBondContact CA-OE2 2.95Å; K176-E180 WeakPolarHBondContact CE-O 3.33Å; K176-E180 PolarHBondContact NZ-O 3.07Å; K176-L182 HydrophobicContact CD-CD1 4.07Å; K176-L182 HydrophobicContact CD-CD2 3.88Å; K176-L182 HydrophobicContact CD-CG 3.8Å; K176-L182 HydrophobicContact CG-CD2 4.2Å; K176-E185 IonicContact NZ-OE1 2.69Å; K176-E185 PolarHBondContact NZ-OE1 2.88Å; K176-E185 IonicContact NZ-OE2 2.68Å; K176-E185 PolarHBondContact NZ-OE2 2.87Å | ||
| 177 | T | 72 | Confident | 67.6 | Low | 39 Ų | 39 | 114.8 Ų | 114.8 | 24% | 0.239 | 57% | 0.574 | C | S | . | * | trans | -79.6 | 168.8 | 158.1 | 77.1 | 0 | 0 | 0 | 0 | 110.6 | D179 E180 N307 | T177-D179 PolarHBondContact O-N 3.37Å; T177-D179 VanDerWaalsContact O-N 3.14Å; T177-E180 WeakPolarHBondContact CB-OE1 3.42Å; T177-E180 WeakPolarHBondContact CG2-OE1 3.32Å; T177-E180 VanDerWaalsContact N-CD 3.26Å; T177-E180 PolarHBondContact N-OE1 2.97Å; T177-E180 PolarHBondContact N-OE2 2.83Å; T177-E180 PolarHBondContact O-N 3.48Å; T177-E180 WeakPolarHBondContact OG1-CG 3.09Å; T177-E180 PolarHBondContact OG1-OE1 3.49Å; T177-N307 HydrophobicContact CG2-CB 3.88Å | ||
| 178 | K | 71.5 | Confident | 69.6 | Low | 194 Ų | 194 | 111.1 Ų | 111.1 | 84% | 0.843 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -24.7 | -165 | -66.5 | -173 | 177.7 | -172.5 | 0 | 114.6 | ||
| 179 | D | 70.3 | Confident | 71.5 | Confident | 117 Ų | 117 | 103.8 Ų | 103.8 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.4 | 6.8 | -169.3 | -51.3 | -66.2 | 0 | 0 | 0 | 112.2 | T177 | T177-D179 PolarHBondContact O-N 3.37Å; T177-D179 VanDerWaalsContact O-N 3.14Å |
| 180 | E | 77.2 | Confident | 73.5 | Confident | 85 Ų | 85 | 105.7 Ų | 105.7 | 40% | 0.397 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 131.6 | 175.5 | -81.2 | 159 | -148.5 | 0 | 0 | 111.8 | K176 T177 | K176-E180 VanDerWaalsContact CA-OE2 3.23Å; K176-E180 WeakPolarHBondContact CA-OE2 2.95Å; K176-E180 WeakPolarHBondContact CE-O 3.33Å; K176-E180 PolarHBondContact NZ-O 3.07Å; T177-E180 WeakPolarHBondContact CB-OE1 3.42Å; T177-E180 WeakPolarHBondContact CG2-OE1 3.32Å; T177-E180 VanDerWaalsContact N-CD 3.26Å; T177-E180 PolarHBondContact N-OE1 2.97Å; T177-E180 PolarHBondContact N-OE2 2.83Å; T177-E180 PolarHBondContact O-N 3.48Å; T177-E180 WeakPolarHBondContact OG1-CG 3.09Å; T177-E180 PolarHBondContact OG1-OE1 3.49Å |
| 181 | L | 78.6 | Confident | 75.4 | Confident | 123 Ų | 123 | 104.1 Ų | 104.1 | 64% | 0.644 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -98.4 | 129.8 | 172.8 | -62.2 | 179.9 | 0 | 0 | 0 | 110.6 | E185 L186 | L181-E185 WeakPolarHBondContact CA-OE2 3.17Å; L181-L186 HydrophobicContact CB-CD2 4.15Å; L181-L186 HydrophobicContact CD1-CD2 3.94Å |
| 182 | L | 80.3 | Confident | 76.9 | Confident | 48 Ų | 48 | 100.4 Ų | 100.4 | 25% | 0.251 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 157.5 | 170.7 | -64.4 | -175.9 | 0 | 0 | 0 | 111.2 | K176 N184 E185 L186 | K176-L182 HydrophobicContact CD-CD1 4.07Å; K176-L182 HydrophobicContact CD-CD2 3.88Å; K176-L182 HydrophobicContact CD-CG 3.8Å; K176-L182 HydrophobicContact CG-CD2 4.2Å; L182-N184 PolarHBondContact O-N 3.44Å; L182-E185 HydrophobicContact CB-CG 4.19Å; L182-E185 PolarHBondContact N-OE2 2.81Å; L182-E185 WeakPolarHBondContact O-CB 3.47Å; L182-E185 PolarHBondContact O-N 2.91Å; L182-L186 PolarHBondContact O-N 2.96Å; L182-L186 VanDerWaalsContact O-N 3.16Å |
| 183 | L | 79.5 | Confident | 78.4 | Confident | 40 Ų | 40 | 98 Ų | 98 | 21% | 0.209 | 51% | 0.514 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -23.6 | 171 | -61 | 176.4 | 0 | 0 | 0 | 113.6 | L186 L215 F245 R259 | L183-L186 HydrophobicContact CD2-CD1 4.42Å; L183-L215 HydrophobicContact CD1-CD1 3.77Å; L183-L215 HydrophobicContact CD1-CD2 4.27Å; L183-L215 HydrophobicContact CD1-CG 3.92Å; L183-L215 HydrophobicContact CD2-CD1 4.36Å; L183-L215 HydrophobicContact CD2-CD2 4.3Å; L183-F245 HydrophobicContact CD2-CE1 4.19Å; L183-F245 HydrophobicContact CD2-CZ 4.31Å; L183-R259 PolarHBondContact O-NH2 2.89Å |
| 184 | N | 77.2 | Confident | 80 | Confident | 130 Ų | 130 | 94.4 Ų | 94.4 | 70% | 0.695 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -13.9 | 178.4 | -60.4 | -6.2 | 0 | 0 | 0 | 113.4 | L182 Q214 | L182-N184 PolarHBondContact O-N 3.44Å; N184-Q214 PolarHBondContact OD1-NE2 2.9Å |
| 185 | E | 81.9 | Confident | 81.1 | Confident | 99 Ų | 99 | 95.9 Ų | 95.9 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -22.9 | 176.6 | -66 | 160.9 | -171.4 | 0 | 0 | 111.2 | K176 L181 L182 | K176-E185 IonicContact NZ-OE1 2.69Å; K176-E185 PolarHBondContact NZ-OE1 2.88Å; K176-E185 IonicContact NZ-OE2 2.68Å; K176-E185 PolarHBondContact NZ-OE2 2.87Å; L181-E185 WeakPolarHBondContact CA-OE2 3.17Å; L182-E185 HydrophobicContact CB-CG 4.19Å; L182-E185 PolarHBondContact N-OE2 2.81Å; L182-E185 WeakPolarHBondContact O-CB 3.47Å; L182-E185 PolarHBondContact O-N 2.91Å |
| 186 | L | 85.8 | Confident | 82.4 | Confident | 47 Ų | 47 | 87.3 Ų | 87.3 | 25% | 0.246 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -68.9 | 142.3 | 171.3 | -66.3 | 178 | 0 | 0 | 0 | 111.3 | L181 L182 L183 F245 R259 | L181-L186 HydrophobicContact CB-CD2 4.15Å; L181-L186 HydrophobicContact CD1-CD2 3.94Å; L182-L186 PolarHBondContact O-N 2.96Å; L182-L186 VanDerWaalsContact O-N 3.16Å; L183-L186 HydrophobicContact CD2-CD1 4.42Å; L186-F245 HydrophobicContact CD1-CE2 4Å; L186-F245 HydrophobicContact CD1-CZ 3.69Å; L186-R259 PolarHBondContact O-NH2 2.9Å |
| 187 | P | 87.3 | Confident | 83.6 | Confident | 103 Ų | 103 | 87.1 Ų | 87.1 | 67% | 0.669 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 153.3 | 179.3 | 25.8 | -35.5 | 0 | 0 | 0 | 112.3 | R259 | P187-R259 PolarHBondContact O-NH1 3.49Å; P187-R259 PolarHBondContact O-NH2 2.84Å |
| 188 | S | 87.8 | Confident | 84.5 | Confident | 103 Ų | 103 | 93.3 Ų | 93.3 | 72% | 0.72 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 138.9 | 175.5 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | N261 | S188-N261 VanDerWaalsContact CA-OD1 3.28Å; S188-N261 WeakPolarHBondContact CA-OD1 3.27Å; S188-N261 WeakPolarHBondContact CB-OD1 3.41Å |
| 189 | V | 89.2 | Confident | 85.4 | Confident | 45 Ų | 45 | 90.5 Ų | 90.5 | 27% | 0.273 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 140.2 | 178 | -176.5 | 0 | 0 | 0 | 0 | 110.1 | R259 N261 | V189-R259 HydrophobicContact CG2-CB 4.15Å; V189-R259 HydrophobicContact CG2-CG 3.81Å; V189-N261 PolarHBondContact N-OD1 3.21Å; V189-N261 PolarHBondContact O-ND2 2.82Å |
| 190 | E | 87.3 | Confident | 86.5 | Confident | 162 Ų | 162 | 85.5 Ų | 85.5 | 76% | 0.757 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 132.8 | 174.3 | -175.8 | 177 | 177.3 | 0 | 0 | 111.2 | L192 | E190-L192 PolarHBondContact O-N 3.36Å; E190-L192 VanDerWaalsContact O-N 3.15Å |
| 191 | E | 86.2 | Confident | 87.3 | Confident | 104 Ų | 104 | 86.3 Ų | 86.3 | 49% | 0.486 | 46% | 0.461 | S | S | . | . | trans | -78.8 | 100.8 | 178.1 | -175.8 | 171.5 | -159.7 | 0 | 0 | 111.6 | T193 H265 | E191-T193 HydrophobicContact CG-CG2 4.15Å; E191-T193 PolarHBondContact O-N 2.9Å; E191-H265 IonicContact OE1-CD2 2.81Å; E191-H265 IonicContact OE1-CE1 2.77Å; E191-H265 IonicContact OE1-NE2 2.73Å; E191-H265 PolarHBondContact OE1-NE2 2.78Å; E191-H265 IonicContact OE2-NE2 3.73Å | ||
| 192 | L | 86.3 | Confident | 88 | Confident | 30 Ų | 30 | 82.1 Ų | 82.1 | 16% | 0.157 | 44% | 0.439 | C | S | . | . | trans | -70.3 | 118.2 | 171.7 | -57.8 | -176.7 | 0 | 0 | 0 | 110.5 | E190 I194 V232 A240 K243 K269 | E190-L192 PolarHBondContact O-N 3.36Å; E190-L192 VanDerWaalsContact O-N 3.15Å; L192-I194 HydrophobicContact CD2-CD1 4.3Å; L192-V232 HydrophobicContact CD1-CG1 3.89Å; L192-V232 HydrophobicContact CD1-CG2 3.99Å; L192-A240 HydrophobicContact CB-CB 3.97Å; L192-K243 HydrophobicContact CD1-CB 4.21Å; L192-K269 PolarHBondContact O-NZ 3.5Å | ||
| 193 | T | 87.4 | Confident | 88.7 | Confident | 112 Ų | 112 | 83.3 Ų | 83.3 | 69% | 0.687 | 44% | 0.442 | S | S | * | . | trans | -114.4 | 24.7 | 175 | 47.9 | 0 | 0 | 0 | 0 | 112 | E191 I195 | E191-T193 HydrophobicContact CG-CG2 4.15Å; E191-T193 PolarHBondContact O-N 2.9Å; T193-I195 PolarHBondContact O-N 3.2Å | ||
| 194 | I | 90.6 | Very high | 89.5 | Confident | 56 Ų | 56 | 83.9 Ų | 83.9 | 29% | 0.287 | 45% | 0.448 | S | S | . | . | trans | -69.1 | 127.9 | -178.8 | -55.2 | 167.9 | 0 | 0 | 0 | 109.3 | L192 F234 A240 F286 | L192-I194 HydrophobicContact CD2-CD1 4.3Å; I194-F234 HydrophobicContact CG2-CE1 4.38Å; I194-A240 HydrophobicContact CB-CB 4.01Å; I194-A240 WeakPolarHBondContact O-CB 3.46Å; I194-A240 PolarHBondContact O-N 3.4Å; I194-F286 HydrophobicContact CD1-CE1 3.8Å; I194-F286 HydrophobicContact CD1-CZ 4.16Å; I194-F286 HydrophobicContact CG2-CE2 4.36Å; I194-F286 HydrophobicContact CG2-CZ 4.01Å | ||
| 195 | I | 93 | Very high | 90.3 | Very high | 119 Ų | 119 | 77.7 Ų | 77.7 | 61% | 0.61 | 42% | 0.415 | S | S | * | . | B | Isolated β-bridge | trans | -107 | 120.8 | 170.4 | -54.5 | 180 | 0 | 0 | 0 | 107.6 | T193 Q239 | T193-I195 PolarHBondContact O-N 3.2Å; I195-Q239 HydrophobicContact CG1-CG 4.44Å |
| 196 | L | 92.9 | Very high | 91 | Very high | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 39% | 0.393 | C | S | . | . | trans | -80.2 | 125.5 | -178.7 | -158.6 | 72.1 | 0 | 0 | 0 | 109.9 | I200 L202 F234 R238 A280 M283 F286 | L196-I200 HydrophobicContact CD1-CD1 3.69Å; L196-I200 HydrophobicContact CD1-CG2 4.46Å; L196-I200 HydrophobicContact CD2-CB 4.09Å; L196-I200 HydrophobicContact CD2-CG2 3.77Å; L196-I200 HydrophobicContact CG-CB 4.12Å; L196-I200 HydrophobicContact CG-CD1 3.72Å; L196-I200 HydrophobicContact CG-CG2 4.19Å; L196-L202 HydrophobicContact CD2-CD2 3.42Å; L196-L202 VanDerWaalsContact CD2-CD2 3.42Å; L196-L202 HydrophobicContact CD2-CG 3.92Å; L196-F234 HydrophobicContact CB-CD1 4.1Å; L196-F234 HydrophobicContact CB-CE1 3.98Å; L196-F234 HydrophobicContact CD1-CE1 4.02Å; L196-F234 HydrophobicContact CD1-CZ 3.97Å; L196-F234 HydrophobicContact CD2-CD1 4.47Å; L196-F234 HydrophobicContact CD2-CE1 4.46Å; L196-F234 HydrophobicContact CG-CE1 4.4Å; L196-R238 HydrophobicContact CB-CB 4.21Å; L196-R238 WeakPolarHBondContact CB-O 3.44Å; L196-R238 PolarHBondContact N-O 2.85Å; L196-R238 WeakPolarHBondContact O-CB 3.45Å; L196-R238 WeakPolarHBondContact O-CD 3.42Å; L196-A280 HydrophobicContact CD1-CB 4.38Å; L196-A280 HydrophobicContact CD2-CB 3.76Å; L196-M283 HydrophobicContact CD1-SD 3.62Å; L196-F286 HydrophobicContact CD1-CD2 4.06Å; L196-F286 HydrophobicContact CD1-CE2 4.04Å | ||
| 197 | P | 92.4 | Very high | 91.5 | Very high | 72 Ų | 72 | 74.4 Ų | 74.4 | 47% | 0.468 | 40% | 0.4 | S | S | . | . | trans | -66.3 | 163.1 | 179.2 | 23.6 | -30 | 0 | 0 | 0 | 112.8 | D199 I200 R238 | P197-D199 VanDerWaalsContact C-N 3.3Å; P197-D199 WeakPolarHBondContact CB-OD1 3.48Å; P197-D199 WeakPolarHBondContact CG-OD1 3.27Å; P197-D199 PolarHBondContact O-N 3.14Å; P197-I200 HydrophobicContact CG-CD1 3.52Å; P197-I200 PolarHBondContact O-N 2.96Å; P197-R238 PolarHBondContact O-NH1 3.02Å | ||
| 198 | E | 91.2 | Very high | 92 | Very high | 168 Ų | 168 | 69.6 Ų | 69.6 | 79% | 0.785 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -23.5 | -166 | -66.2 | -176.5 | -179.7 | 0 | 0 | 114.4 | I200 R238 | E198-I200 PolarHBondContact O-N 3.06Å; E198-R238 PolarHBondContact O-NH1 2.87Å; E198-R238 PolarHBondContact O-NH2 3.38Å |
| 199 | D | 91.3 | Very high | 92.5 | Very high | 136 Ų | 136 | 67.3 Ų | 67.3 | 73% | 0.727 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -18.7 | 180 | 64.7 | -44 | 0 | 0 | 0 | 113.6 | P197 | P197-D199 VanDerWaalsContact C-N 3.3Å; P197-D199 WeakPolarHBondContact CB-OD1 3.48Å; P197-D199 WeakPolarHBondContact CG-OD1 3.27Å; P197-D199 PolarHBondContact O-N 3.14Å |
| 200 | I | 92.9 | Very high | 92.8 | Very high | 11 Ų | 11 | 67.1 Ų | 67.1 | 6% | 0.056 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -89.1 | 131.9 | -179.5 | -59.2 | 144.2 | 0 | 0 | 0 | 110.5 | L196 P197 E198 L202 R238 A280 M283 | L196-I200 HydrophobicContact CD1-CD1 3.69Å; L196-I200 HydrophobicContact CD1-CG2 4.46Å; L196-I200 HydrophobicContact CD2-CB 4.09Å; L196-I200 HydrophobicContact CD2-CG2 3.77Å; L196-I200 HydrophobicContact CG-CB 4.12Å; L196-I200 HydrophobicContact CG-CD1 3.72Å; L196-I200 HydrophobicContact CG-CG2 4.19Å; P197-I200 HydrophobicContact CG-CD1 3.52Å; P197-I200 PolarHBondContact O-N 2.96Å; E198-I200 PolarHBondContact O-N 3.06Å; I200-L202 PolarHBondContact O-N 2.89Å; I200-R238 PolarHBondContact O-NH1 3.21Å; I200-A280 HydrophobicContact CG2-CB 4.25Å; I200-M283 HydrophobicContact CD1-CE 3.35Å; I200-M283 HydrophobicContact CD1-CG 4.46Å; I200-M283 HydrophobicContact CD1-SD 3.58Å; I200-M283 VanDerWaalsContact CD1-SD 3.58Å; I200-M283 HydrophobicContact CG1-CE 4.14Å; I200-M283 HydrophobicContact CG1-SD 4.3Å |
| 201 | E | 93.3 | Very high | 93.3 | Very high | 102 Ų | 102 | 62.1 Ų | 62.1 | 48% | 0.477 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 119.6 | 171.7 | -171.6 | -172.8 | -166.2 | 0 | 0 | 110.3 | K203 | E201-K203 HydrophobicContact CG-CG 4.44Å; E201-K203 WeakPolarHBondContact OE1-CE 3.3Å; E201-K203 IonicContact OE1-NZ 3.46Å; E201-K203 PolarHBondContact OE1-NZ 3.43Å; E201-K203 WeakPolarHBondContact OE2-CE 3.15Å; E201-K203 IonicContact OE2-NZ 3.03Å; E201-K203 PolarHBondContact OE2-NZ 3.35Å |
| 202 | L | 94.3 | Very high | 93.6 | Very high | 35 Ų | 35 | 61.3 Ų | 61.3 | 18% | 0.183 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -89.9 | 132 | 163.5 | -78.2 | -179.6 | 0 | 0 | 0 | 109.6 | L196 I200 F234 R238 Y278 F279 A280 | L196-L202 HydrophobicContact CD2-CD2 3.42Å; L196-L202 VanDerWaalsContact CD2-CD2 3.42Å; L196-L202 HydrophobicContact CD2-CG 3.92Å; I200-L202 PolarHBondContact O-N 2.89Å; L202-F234 HydrophobicContact CD1-CB 4.5Å; L202-F234 HydrophobicContact CD2-CB 3.9Å; L202-F234 HydrophobicContact CD2-CD2 4.19Å; L202-F234 HydrophobicContact CD2-CG 4.11Å; L202-R238 HydrophobicContact CD1-CB 4.44Å; L202-R238 HydrophobicContact CD1-CG 3.81Å; L202-Y278 HydrophobicContact CB-CD1 4.17Å; L202-Y278 HydrophobicContact CB-CG 4.42Å; L202-F279 WeakPolarHBondContact CA-O 3.36Å; L202-F279 WeakPolarHBondContact CD2-O 3.47Å; L202-A280 HydrophobicContact CD2-CB 4.33Å |
| 203 | K | 94.8 | Very high | 93.9 | Very high | 73 Ų | 73 | 66.4 Ų | 66.4 | 32% | 0.317 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 140.1 | 169.2 | -72.4 | -174.5 | -171.8 | 161.2 | 0 | 110.2 | E201 L205 Y278 F279 P281 | E201-K203 HydrophobicContact CG-CG 4.44Å; E201-K203 WeakPolarHBondContact OE1-CE 3.3Å; E201-K203 IonicContact OE1-NZ 3.46Å; E201-K203 PolarHBondContact OE1-NZ 3.43Å; E201-K203 WeakPolarHBondContact OE2-CE 3.15Å; E201-K203 IonicContact OE2-NZ 3.03Å; E201-K203 PolarHBondContact OE2-NZ 3.35Å; K203-L205 PolarHBondContact O-N 3.02Å; K203-Y278 CarbonylContact O-C 3.4Å; K203-Y278 WeakPolarHBondContact O-CA 3.42Å; K203-Y278 WeakPolarHBondContact O-CB 3.35Å; K203-F279 HydrophobicContact CB-CD1 4.11Å; K203-F279 HydrophobicContact CB-CE1 3.59Å; K203-F279 HydrophobicContact CB-CZ 3.98Å; K203-F279 PolarHBondContact N-O 2.71Å; K203-F279 WeakPolarHBondContact O-CD1 2.92Å; K203-F279 PolarHBondContact O-N 3.03Å; K203-P281 HydrophobicContact CB-CG 3.89Å; K203-P281 HydrophobicContact CD-CG 3.53Å; K203-P281 HydrophobicContact CG-CG 3.66Å |
| 204 | P | 95.7 | Very high | 94.2 | Very high | 52 Ų | 52 | 62.1 Ų | 62.1 | 34% | 0.338 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 131.1 | 172.7 | 28.5 | -34 | 0 | 0 | 0 | 108.2 | M221 L224 T276 Y278 | P204-M221 HydrophobicContact CB-CE 4.32Å; P204-M221 HydrophobicContact CB-SD 3.92Å; P204-M221 HydrophobicContact CG-SD 4.3Å; P204-L224 WeakPolarHBondContact O-CD1 3.15Å; P204-T276 HydrophobicContact CB-CG2 3.96Å; P204-Y278 HydrophobicContact CB-CD1 4.2Å; P204-Y278 HydrophobicContact CB-CE1 4.05Å |
| 205 | L | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -41 | 173.9 | -176.3 | 61 | 0 | 0 | 0 | 111.3 | K203 S220 M221 L224 V227 I233 Y256 M277 F279 | K203-L205 PolarHBondContact O-N 3.02Å; L205-S220 WeakPolarHBondContact O-CA 3.47Å; L205-M221 PolarHBondContact O-N 3.36Å; L205-L224 HydrophobicContact CD1-CD1 4.43Å; L205-L224 WeakPolarHBondContact O-CD1 3.45Å; L205-V227 HydrophobicContact CD1-CG2 3.97Å; L205-V227 HydrophobicContact CD2-CG2 4.21Å; L205-I233 HydrophobicContact CD2-CD1 3.29Å; L205-I233 HydrophobicContact CD2-CG1 4.3Å; L205-Y256 HydrophobicContact CD1-CD2 4.3Å; L205-Y256 HydrophobicContact CD1-CE2 3.62Å; L205-Y256 HydrophobicContact CD2-CD2 3.7Å; L205-Y256 HydrophobicContact CD2-CE2 3.87Å; L205-Y256 HydrophobicContact CD2-CG 4.28Å; L205-Y256 HydrophobicContact CG-CD2 3.92Å; L205-Y256 HydrophobicContact CG-CE2 3.72Å; L205-M277 PolarHBondContact N-O 3.17Å; L205-F279 HydrophobicContact CB-CD1 3.78Å; L205-F279 HydrophobicContact CB-CE1 4.43Å; L205-F279 HydrophobicContact CD1-CD1 3.94Å; L205-F279 HydrophobicContact CD1-CE1 4.15Å; L205-F279 HydrophobicContact CD1-CG 4.48Å; L205-F279 HydrophobicContact CG-CD1 4.41Å |
| 206 | G | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.9 | -177.6 | -159.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E219 T276 M277 | G206-E219 CarbonylContact C-O 3.58Å; G206-E219 WeakPolarHBondContact CA-O 3.19Å; G206-T276 WeakPolarHBondContact O-CA 3.32Å; G206-M277 PolarHBondContact N-O 2.84Å; G206-M277 PolarHBondContact O-N 2.85Å |
| 207 | M | 97.2 | Very high | 94.8 | Very high | 78 Ų | 78 | 56.1 Ų | 56.1 | 38% | 0.384 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 140.8 | 177.5 | -171.7 | -179 | -62.6 | 0 | 0 | 109.9 | S209 I218 E219 K274 E275 | M207-S209 PolarHBondContact O-N 2.89Å; M207-S209 VanDerWaalsContact O-N 3.07Å; M207-I218 CarbonylContact O-C 3.52Å; M207-I218 WeakPolarHBondContact O-CA 3.2Å; M207-E219 PolarHBondContact N-O 3.07Å; M207-E219 PolarHBondContact O-N 2.78Å; M207-K274 HydrophobicContact SD-CB 3.98Å; M207-K274 HydrophobicContact SD-CG 4.38Å; M207-E275 CarbonylContact C-O 3.59Å; M207-E275 WeakPolarHBondContact CA-O 3.49Å |
| 208 | V | 97.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 111.9 | 174 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | I211 V216 I218 I271 K272 K274 E275 M277 | V208-I211 HydrophobicContact CG1-CD1 4.35Å; V208-I211 HydrophobicContact CG1-CG1 3.96Å; V208-V216 HydrophobicContact CB-CG1 4.46Å; V208-V216 HydrophobicContact CG1-CG1 3.7Å; V208-V216 HydrophobicContact CG2-CG1 3.95Å; V208-I218 HydrophobicContact CG2-CG1 4.38Å; V208-I271 HydrophobicContact CG2-CG2 4.13Å; V208-K272 WeakPolarHBondContact CB-O 3.49Å; V208-K274 PolarHBondContact O-N 3.05Å; V208-E275 HydrophobicContact CG2-CB 4.36Å; V208-E275 PolarHBondContact N-O 2.83Å; V208-M277 HydrophobicContact CG2-CE 3.52Å; V208-M277 HydrophobicContact CG2-CG 3.91Å |
| 209 | S | 96.8 | Very high | 95.3 | Very high | 55 Ų | 55 | 49 Ų | 49 | 39% | 0.385 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -39.3 | -176.1 | -162.1 | 0 | 0 | 0 | 0 | 110.9 | M207 I217 E219 | M207-S209 PolarHBondContact O-N 2.89Å; M207-S209 VanDerWaalsContact O-N 3.07Å; S209-I217 PolarHBondContact N-O 2.87Å; S209-E219 PolarHBondContact OG-OE2 2.88Å |
| 210 | S | 97.1 | Very high | 95.5 | Very high | 42 Ų | 42 | 43 Ų | 43 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 160.1 | 176.6 | -168.6 | 0 | 0 | 0 | 0 | 112.2 | I217 | S210-I217 PolarHBondContact N-O 2.68Å; S210-I217 PolarHBondContact O-N 2.86Å |
| 211 | I | 96.1 | Very high | 95.5 | Very high | 56 Ų | 56 | 45.8 Ų | 45.8 | 29% | 0.287 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 123.5 | 171.2 | -58.6 | 172.9 | 0 | 0 | 0 | 106.3 | V208 L215 V216 I266 I273 | V208-I211 HydrophobicContact CG1-CD1 4.35Å; V208-I211 HydrophobicContact CG1-CG1 3.96Å; I211-L215 WeakPolarHBondContact CA-O 3.43Å; I211-V216 HydrophobicContact CG1-CG1 4.44Å; I211-V216 HydrophobicContact CG1-CG2 4.33Å; I211-V216 HydrophobicContact CG2-CG2 4.46Å; I211-I266 HydrophobicContact CD1-CG2 4.12Å; I211-I266 HydrophobicContact CG2-CD1 3.72Å; I211-I266 HydrophobicContact CG2-CG2 4.35Å; I211-I273 HydrophobicContact CD1-CG1 3.98Å; I211-I273 HydrophobicContact CG1-CG1 4.11Å |
| 212 | I | 93.9 | Very high | 95.2 | Very high | 87 Ų | 87 | 45 Ų | 45 | 45% | 0.446 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 115.8 | -173.6 | -53.8 | -178 | 0 | 0 | 0 | 108 | Q214 L215 I217 | I212-Q214 PolarHBondContact O-N 3.03Å; I212-L215 PolarHBondContact N-O 3.1Å; I212-L215 WeakPolarHBondContact O-CA 3.1Å; I212-L215 WeakPolarHBondContact O-CB 3.46Å; I212-L215 PolarHBondContact O-N 3.21Å; I212-I217 HydrophobicContact CD1-CD1 3.74Å; I212-I217 HydrophobicContact CG1-CD1 4.31Å |
| 213 | E | 91.8 | Very high | 94.6 | Very high | 137 Ų | 137 | 50.9 Ų | 50.9 | 64% | 0.64 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | -108.1 | -174.5 | -58.3 | 179.7 | 176.3 | 0 | 0 | 111.9 | ||
| 214 | Q | 93.3 | Very high | 94.2 | Very high | 22 Ų | 22 | 49.8 Ų | 49.8 | 10% | 0.103 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 14.8 | 178.6 | 66 | -165.7 | -33.8 | 0 | 0 | 112.9 | N184 I212 F260 | N184-Q214 PolarHBondContact OD1-NE2 2.9Å; I212-Q214 PolarHBondContact O-N 3.03Å; Q214-F260 PolarHBondContact O-N 3.36Å; Q214-F260 PolarHBondContact OE1-O 3.02Å |
| 215 | L | 95.5 | Very high | 93.8 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 14% | 0.136 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 137.7 | 179.5 | -57.1 | -175.8 | 0 | 0 | 0 | 111.6 | L183 I211 I212 F245 V257 L258 R259 | L183-L215 HydrophobicContact CD1-CD1 3.77Å; L183-L215 HydrophobicContact CD1-CD2 4.27Å; L183-L215 HydrophobicContact CD1-CG 3.92Å; L183-L215 HydrophobicContact CD2-CD1 4.36Å; L183-L215 HydrophobicContact CD2-CD2 4.3Å; I211-L215 WeakPolarHBondContact CA-O 3.43Å; I212-L215 PolarHBondContact N-O 3.1Å; I212-L215 WeakPolarHBondContact O-CA 3.1Å; I212-L215 WeakPolarHBondContact O-CB 3.46Å; I212-L215 PolarHBondContact O-N 3.21Å; L215-F245 HydrophobicContact CD2-CD1 4.47Å; L215-V257 HydrophobicContact CB-CG1 4.04Å; L215-V257 HydrophobicContact CD1-CG1 4.11Å; L215-V257 HydrophobicContact CD2-CG1 3.96Å; L215-V257 HydrophobicContact CG-CG1 4.26Å; L215-L258 CarbonylContact C-O 3.59Å; L215-L258 WeakPolarHBondContact CA-O 3.41Å; L215-R259 HydrophobicContact CD2-CB 3.68Å; L215-R259 HydrophobicContact CD2-CG 3.75Å |
| 216 | V | 97.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124.9 | 170.6 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | V208 I211 I218 V257 L258 F260 I266 I271 | V208-V216 HydrophobicContact CB-CG1 4.46Å; V208-V216 HydrophobicContact CG1-CG1 3.7Å; V208-V216 HydrophobicContact CG2-CG1 3.95Å; I211-V216 HydrophobicContact CG1-CG1 4.44Å; I211-V216 HydrophobicContact CG1-CG2 4.33Å; I211-V216 HydrophobicContact CG2-CG2 4.46Å; V216-I218 HydrophobicContact CG1-CG1 4.34Å; V216-V257 CarbonylContact O-C 3.57Å; V216-V257 WeakPolarHBondContact O-CA 3.46Å; V216-L258 HydrophobicContact CB-CB 4.3Å; V216-L258 PolarHBondContact N-O 3.16Å; V216-L258 PolarHBondContact O-N 2.82Å; V216-F260 HydrophobicContact CB-CE2 4.1Å; V216-F260 HydrophobicContact CG2-CD2 3.91Å; V216-F260 HydrophobicContact CG2-CE2 3.5Å; V216-I266 HydrophobicContact CG2-CB 4.47Å; V216-I266 HydrophobicContact CG2-CD1 3.8Å; V216-I266 HydrophobicContact CG2-CG1 4.07Å; V216-I266 HydrophobicContact CG2-CG2 3.58Å; V216-I271 HydrophobicContact CG1-CG2 3.99Å; V216-I271 HydrophobicContact CG2-CG2 4.19Å |
| 217 | I | 97.6 | Very high | 93.4 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 13% | 0.128 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 120.1 | -179.8 | -57.3 | 176.9 | 0 | 0 | 0 | 109 | S209 S210 I212 F248 F255 | S209-I217 PolarHBondContact N-O 2.87Å; S210-I217 PolarHBondContact N-O 2.68Å; S210-I217 PolarHBondContact O-N 2.86Å; I212-I217 HydrophobicContact CD1-CD1 3.74Å; I212-I217 HydrophobicContact CG1-CD1 4.31Å; I217-F248 HydrophobicContact CD1-CZ 4.36Å; I217-F248 HydrophobicContact CG2-CE1 4.36Å; I217-F248 HydrophobicContact CG2-CZ 3.97Å; I217-F255 HydrophobicContact CG2-CB 4.2Å; I217-F255 HydrophobicContact CG2-CD1 4.06Å |
| 218 | I | 97.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 117.5 | -179.8 | -56.7 | 166.8 | 0 | 0 | 0 | 108.5 | M207 V208 V216 I233 F255 Y256 L258 M277 | M207-I218 CarbonylContact O-C 3.52Å; M207-I218 WeakPolarHBondContact O-CA 3.2Å; V208-I218 HydrophobicContact CG2-CG1 4.38Å; V216-I218 HydrophobicContact CG1-CG1 4.34Å; I218-I233 HydrophobicContact CD1-CG2 4.05Å; I218-F255 CarbonylContact O-C 3.55Å; I218-F255 WeakPolarHBondContact O-CA 3.5Å; I218-Y256 PolarHBondContact N-O 3.49Å; I218-Y256 PolarHBondContact O-N 3.03Å; I218-L258 HydrophobicContact CD1-CD1 3.81Å; I218-L258 HydrophobicContact CD1-CG 3.93Å; I218-M277 HydrophobicContact CD1-CB 3.99Å; I218-M277 HydrophobicContact CD1-CG 3.79Å; I218-M277 HydrophobicContact CG1-CG 4.14Å; I218-M277 HydrophobicContact CG2-CB 4.24Å |
| 219 | E | 96.1 | Very high | 92.9 | Very high | 90 Ų | 90 | 54.4 Ų | 54.4 | 42% | 0.421 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 125.3 | 172.2 | -179.8 | 175.8 | 169 | 0 | 0 | 109.5 | G206 M207 S209 F255 | G206-E219 CarbonylContact C-O 3.58Å; G206-E219 WeakPolarHBondContact CA-O 3.19Å; M207-E219 PolarHBondContact N-O 3.07Å; M207-E219 PolarHBondContact O-N 2.78Å; S209-E219 PolarHBondContact OG-OE2 2.88Å; E219-F255 HydrophobicContact CB-CD1 3.94Å; E219-F255 HydrophobicContact CB-CE1 3.75Å; E219-F255 HydrophobicContact CG-CD1 4.27Å; E219-F255 HydrophobicContact CG-CE1 3.68Å; E219-F255 HydrophobicContact CG-CZ 4.32Å |
| 220 | S | 95.6 | Very high | 92.6 | Very high | 12 Ų | 12 | 56.5 Ų | 56.5 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 147 | -177.4 | 59.1 | 0 | 0 | 0 | 0 | 113.6 | L205 P254 | L205-S220 WeakPolarHBondContact O-CA 3.47Å; S220-P254 WeakPolarHBondContact CB-O 3.4Å; S220-P254 PolarHBondContact N-O 3.33Å; S220-P254 VanDerWaalsContact N-O 3.1Å; S220-P254 WeakPolarHBondContact OG-CD 3.33Å; S220-P254 VanDerWaalsContact OG-N 3.15Å; S220-P254 PolarHBondContact OG-O 2.95Å |
| 221 | M | 92.1 | Very high | 92.4 | Very high | 68 Ų | 68 | 54.5 Ų | 54.5 | 34% | 0.335 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 148.5 | 167.7 | -67.5 | -171.8 | -175.5 | 0 | 0 | 111.3 | P204 L205 L224 T276 | P204-M221 HydrophobicContact CB-CE 4.32Å; P204-M221 HydrophobicContact CB-SD 3.92Å; P204-M221 HydrophobicContact CG-SD 4.3Å; L205-M221 PolarHBondContact O-N 3.36Å; M221-L224 HydrophobicContact CB-CD1 3.89Å; M221-T276 HydrophobicContact CE-CG2 3.82Å |
| 222 | T | 86.9 | Confident | 92.4 | Very high | 85 Ų | 85 | 52.4 Ų | 52.4 | 52% | 0.521 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 149.5 | 178.1 | 65.5 | 0 | 0 | 0 | 0 | 112.5 | L224 | T222-L224 VanDerWaalsContact C-N 3.35Š|
| 223 | N | 81.8 | Confident | 92.6 | Very high | 160 Ų | 160 | 48.3 Ų | 48.3 | 86% | 0.856 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 19.1 | 175.3 | -47.5 | -72.3 | 0 | 0 | 0 | 116.1 | ||
| 224 | L | 85.7 | Confident | 92.8 | Very high | 49 Ų | 49 | 41.8 Ų | 41.8 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -97.8 | 141.4 | 172.7 | -64.8 | 171.8 | 0 | 0 | 0 | 111.4 | P204 L205 M221 T222 F279 | P204-L224 WeakPolarHBondContact O-CD1 3.15Å; L205-L224 HydrophobicContact CD1-CD1 4.43Å; L205-L224 WeakPolarHBondContact O-CD1 3.45Å; M221-L224 HydrophobicContact CB-CD1 3.89Å; T222-L224 VanDerWaalsContact C-N 3.35Å; L224-F279 HydrophobicContact CD2-CE1 4.25Å; L224-F279 HydrophobicContact CD2-CZ 4.41Å |
| 225 | P | 87.5 | Confident | 92.9 | Very high | 65 Ų | 65 | 41.5 Ų | 41.5 | 42% | 0.422 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -66.3 | 132.7 | 169 | 28.3 | -33.3 | 0 | 0 | 0 | 109.5 | V227 Y289 | P225-V227 PolarHBondContact O-N 2.85Å; P225-Y289 HydrophobicContact CB-CD1 3.96Å; P225-Y289 HydrophobicContact CB-CE1 4.2Å; P225-Y289 HydrophobicContact CG-CD1 3.88Å; P225-Y289 HydrophobicContact CG-CE1 3.59Å |
| 226 | P | 89.5 | Confident | 92.8 | Very high | 30 Ų | 30 | 43.3 Ų | 43.3 | 20% | 0.195 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -63 | 131.2 | -180 | 24.7 | -32.8 | 0 | 0 | 0 | 110.8 | I290 T292 | P226-I290 HydrophobicContact CB-CB 4.33Å; P226-I290 HydrophobicContact CG-CB 4.22Å; P226-I290 PolarHBondContact O-N 2.89Å; P226-T292 HydrophobicContact CG-CG2 4.15Å |
| 227 | V | 93.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -93 | 154.9 | 176.4 | -67.3 | 0 | 0 | 0 | 0 | 110.4 | L205 P225 T231 I244 I247 Y256 F279 T287 Q288 Y289 I290 | L205-V227 HydrophobicContact CD1-CG2 3.97Å; L205-V227 HydrophobicContact CD2-CG2 4.21Å; P225-V227 PolarHBondContact O-N 2.85Å; V227-T231 HydrophobicContact CB-CG2 4.01Å; V227-T231 HydrophobicContact CG1-CG2 4.27Å; V227-T231 HydrophobicContact CG2-CG2 4.18Å; V227-I244 HydrophobicContact CG2-CD1 3.63Å; V227-I247 WeakPolarHBondContact O-CD1 3.14Å; V227-Y256 HydrophobicContact CG2-CD1 4.22Å; V227-Y256 HydrophobicContact CG2-CE1 3.59Å; V227-Y256 HydrophobicContact CG2-CE2 4.39Å; V227-Y256 PolarHBondContact N-OH 2.9Å; V227-F279 HydrophobicContact CG1-CD2 4.19Å; V227-F279 HydrophobicContact CG1-CE2 4.25Å; V227-T287 HydrophobicContact CG1-CG2 4Å; V227-Q288 CarbonylContact C-O 3.58Å; V227-Q288 WeakPolarHBondContact CA-O 2.96Å; V227-Y289 HydrophobicContact CG1-CD1 3.93Å; V227-Y289 HydrophobicContact CG1-CE1 3.9Å; V227-I290 VanDerWaalsContact O-CD1 3.28Å; V227-I290 WeakPolarHBondContact O-CD1 3.44Å |
| 228 | N | 92.8 | Very high | 92.5 | Very high | 44 Ų | 44 | 49.5 Ų | 49.5 | 24% | 0.235 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -91.9 | 163.6 | -178.4 | -163.3 | 23 | 0 | 0 | 0 | 111.8 | E230 T231 Q288 I290 | N228-E230 PolarHBondContact O-N 3.49Å; N228-T231 WeakPolarHBondContact O-CB 3.4Å; N228-T231 PolarHBondContact O-N 2.91Å; N228-T231 PolarHBondContact O-OG1 3.36Å; N228-Q288 HydrophobicContact CB-CB 4.21Å; N228-Q288 HydrophobicContact CB-CG 4.23Å; N228-Q288 PolarHBondContact N-O 3.46Å; N228-Q288 PolarHBondContact ND2-OE1 2.84Å; N228-I290 HydrophobicContact CB-CD1 4.48Å; N228-I290 HydrophobicContact CB-CG1 3.83Å |
| 229 | E | 93.2 | Very high | 92.3 | Very high | 89 Ų | 89 | 54 Ų | 54 | 42% | 0.416 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -30.9 | 176.4 | -68.9 | 163.7 | -162.8 | 0 | 0 | 112.9 | T231 K243 I244 I247 | E229-T231 PolarHBondContact O-N 3.23Å; E229-K243 VanDerWaalsContact O-CE 3.32Å; E229-K243 WeakPolarHBondContact O-CE 3.27Å; E229-K243 WeakPolarHBondContact O-CG 3.19Å; E229-I244 HydrophobicContact CG-CG2 4.38Å; E229-I247 HydrophobicContact CG-CD1 4.08Å; E229-I247 HydrophobicContact CG-CG1 4.04Å |
| 230 | E | 88.9 | Confident | 92.3 | Very high | 100 Ų | 100 | 49.9 Ų | 49.9 | 47% | 0.467 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -1 | 175.8 | -65.1 | -56.3 | 123.4 | 0 | 0 | 115.5 | N228 K243 Q288 | N228-E230 PolarHBondContact O-N 3.49Å; E230-K243 WeakPolarHBondContact OE1-CE 3.49Å; E230-K243 IonicContact OE1-NZ 2.76Å; E230-K243 PolarHBondContact OE1-NZ 2.76Å; E230-K243 VanDerWaalsContact OE2-CE 3.29Å; E230-K243 WeakPolarHBondContact OE2-CE 3.42Å; E230-K243 IonicContact OE2-NZ 3.69Å; E230-K243 PolarHBondContact OE2-NZ 3.07Å; E230-Q288 HydrophobicContact CB-CB 4.41Å |
| 231 | T | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 136.6 | -175.1 | -58.2 | 0 | 0 | 0 | 0 | 112.7 | V227 N228 E229 I233 I244 F286 T287 Q288 | V227-T231 HydrophobicContact CB-CG2 4.01Å; V227-T231 HydrophobicContact CG1-CG2 4.27Å; V227-T231 HydrophobicContact CG2-CG2 4.18Å; N228-T231 WeakPolarHBondContact O-CB 3.4Å; N228-T231 PolarHBondContact O-N 2.91Å; N228-T231 PolarHBondContact O-OG1 3.36Å; E229-T231 PolarHBondContact O-N 3.23Å; T231-I233 HydrophobicContact CG2-CD1 4.17Å; T231-I244 HydrophobicContact CG2-CD1 4.46Å; T231-I244 PolarHBondContact O-N 3.33Å; T231-F286 CarbonylContact C-O 3.59Å; T231-F286 VanDerWaalsContact CA-O 3.3Å; T231-F286 WeakPolarHBondContact CA-O 3.25Å; T231-F286 WeakPolarHBondContact CG2-O 3.49Å; T231-T287 HydrophobicContact CG2-CG2 4.33Å; T231-Q288 PolarHBondContact OG1-N 3.02Å; T231-Q288 VanDerWaalsContact OG1-N 3.11Å; T231-Q288 PolarHBondContact OG1-O 2.78Å |
| 232 | V | 95.8 | Very high | 92.4 | Very high | 12 Ų | 12 | 46.5 Ų | 46.5 | 7% | 0.073 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 130.9 | 174.3 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | L192 F234 A240 F286 | L192-V232 HydrophobicContact CD1-CG1 3.89Å; L192-V232 HydrophobicContact CD1-CG2 3.99Å; V232-F234 HydrophobicContact CB-CE2 4.04Å; V232-F234 HydrophobicContact CB-CZ 4.22Å; V232-F234 HydrophobicContact CG1-CE1 4.33Å; V232-F234 HydrophobicContact CG1-CE2 3.89Å; V232-F234 HydrophobicContact CG1-CZ 3.78Å; V232-F234 WeakPolarHBondContact O-CD2 3.32Å; V232-F234 WeakPolarHBondContact O-CE2 3.49Å; V232-A240 HydrophobicContact CG1-CB 3.95Å; V232-F286 HydrophobicContact CB-CB 4.27Å; V232-F286 HydrophobicContact CG2-CD1 4.1Å; V232-F286 PolarHBondContact N-O 3.45Å |
| 233 | I | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 138.3 | 178.2 | -57.2 | -47.3 | 0 | 0 | 0 | 110.1 | L205 I218 T231 A240 A241 G242 I244 L258 M277 F279 | L205-I233 HydrophobicContact CD2-CD1 3.29Å; L205-I233 HydrophobicContact CD2-CG1 4.3Å; I218-I233 HydrophobicContact CD1-CG2 4.05Å; T231-I233 HydrophobicContact CG2-CD1 4.17Å; I233-A240 CarbonylContact O-C 3.56Å; I233-A240 WeakPolarHBondContact O-CA 3.36Å; I233-A241 HydrophobicContact CG2-CB 4.43Å; I233-A241 PolarHBondContact O-N 3.38Å; I233-G242 PolarHBondContact N-O 2.9Å; I233-G242 PolarHBondContact O-N 2.82Å; I233-I244 HydrophobicContact CD1-CD1 4.09Å; I233-I244 HydrophobicContact CD1-CG1 4.11Å; I233-I244 HydrophobicContact CG1-CD1 4.44Å; I233-I244 HydrophobicContact CG1-CG1 3.92Å; I233-L258 HydrophobicContact CB-CD1 4.2Å; I233-L258 HydrophobicContact CB-CD2 4.13Å; I233-L258 HydrophobicContact CG1-CD2 3.76Å; I233-L258 HydrophobicContact CG2-CD1 4.28Å; I233-M277 HydrophobicContact CG2-CB 3.8Å; I233-M277 HydrophobicContact CG2-CG 4.3Å; I233-M277 HydrophobicContact CG2-SD 4.32Å; I233-F279 HydrophobicContact CD1-CB 4.44Å |
| 234 | F | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 148.4 | -177.7 | -61.2 | -92.8 | 0 | 0 | 0 | 110.7 | I194 L196 L202 V232 Q239 A240 Y278 A280 F286 | I194-F234 HydrophobicContact CG2-CE1 4.38Å; L196-F234 HydrophobicContact CB-CD1 4.1Å; L196-F234 HydrophobicContact CB-CE1 3.98Å; L196-F234 HydrophobicContact CD1-CE1 4.02Å; L196-F234 HydrophobicContact CD1-CZ 3.97Å; L196-F234 HydrophobicContact CD2-CD1 4.47Å; L196-F234 HydrophobicContact CD2-CE1 4.46Å; L196-F234 HydrophobicContact CG-CE1 4.4Å; L202-F234 HydrophobicContact CD1-CB 4.5Å; L202-F234 HydrophobicContact CD2-CB 3.9Å; L202-F234 HydrophobicContact CD2-CD2 4.19Å; L202-F234 HydrophobicContact CD2-CG 4.11Å; V232-F234 HydrophobicContact CB-CE2 4.04Å; V232-F234 HydrophobicContact CB-CZ 4.22Å; V232-F234 HydrophobicContact CG1-CE1 4.33Å; V232-F234 HydrophobicContact CG1-CE2 3.89Å; V232-F234 HydrophobicContact CG1-CZ 3.78Å; V232-F234 WeakPolarHBondContact O-CD2 3.32Å; V232-F234 WeakPolarHBondContact O-CE2 3.49Å; F234-Q239 CarbonylContact C-O 3.5Å; F234-Q239 VanDerWaalsContact CA-O 3.32Å; F234-Q239 WeakPolarHBondContact CA-O 3.47Å; F234-A240 HydrophobicContact CD1-CB 4.24Å; F234-A240 HydrophobicContact CE1-CB 4.12Å; F234-Y278 PolarHBondContact N-O 2.85Å; F234-Y278 WeakPolarHBondContact O-CA 3.28Å; F234-Y278 PolarHBondContact O-N 3.03Å; F234-A280 HydrophobicContact CD2-CB 4.31Å; F234-A280 HydrophobicContact CE2-CB 3.91Å; F234-F286 HydrophobicContact CE2-CB 4.29Å; F234-F286 HydrophobicContact CZ-CB 4.36Å; F234-F286 AromaticContact CZ-CD2 3.98Å; F234-F286 HydrophobicContact CZ-CD2 3.98Å; F234-F286 HydrophobicContact CZ-CG 4.16Å |
| 235 | K | 95.6 | Very high | 93.9 | Very high | 16 Ų | 16 | 39.9 Ų | 39.9 | 7% | 0.07 | 20% | 0.204 | C | C | . | . | trans | -78 | 173 | 170.1 | -62.7 | -173.3 | 71 | -147.4 | 0 | 111.3 | D237 R238 Q239 A241 K269 I271 E275 M277 | K235-D237 HydrophobicContact CB-CB 4.49Å; K235-D237 IonicContact NZ-OD2 3.76Å; K235-D237 PolarHBondContact NZ-OD2 3Å; K235-D237 PolarHBondContact O-N 3.22Å; K235-D237 VanDerWaalsContact O-N 3.14Å; K235-R238 PolarHBondContact O-N 3.16Å; K235-Q239 PolarHBondContact N-O 2.86Å; K235-A241 HydrophobicContact CG-CB 4.3Å; K235-K269 WeakPolarHBondContact CD-O 3.41Å; K235-K269 VanDerWaalsContact CE-O 3.3Å; K235-K269 WeakPolarHBondContact CE-O 3.5Å; K235-K269 PolarHBondContact NZ-O 2.99Å; K235-I271 HydrophobicContact CD-CG1 4.43Å; K235-E275 WeakPolarHBondContact CE-OE1 3.43Å; K235-E275 IonicContact NZ-OE1 2.75Å; K235-M277 HydrophobicContact CG-SD 4.46Å | ||
| 236 | S | 93.8 | Very high | 94.2 | Very high | 65 Ų | 65 | 41.2 Ų | 41.2 | 46% | 0.455 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | -34.3 | 164 | 47.5 | 0 | 0 | 0 | 0 | 112.9 | R238 | S236-R238 PolarHBondContact O-N 2.81Å; S236-R238 VanDerWaalsContact O-N 3.13Å |
| 237 | D | 93.9 | Very high | 94.5 | Very high | 82 Ų | 82 | 41.8 Ų | 41.8 | 44% | 0.439 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | 10.1 | -172.2 | -40.2 | -33.5 | 0 | 0 | 0 | 112.6 | K235 Q239 | K235-D237 HydrophobicContact CB-CB 4.49Å; K235-D237 IonicContact NZ-OD2 3.76Å; K235-D237 PolarHBondContact NZ-OD2 3Å; K235-D237 PolarHBondContact O-N 3.22Å; K235-D237 VanDerWaalsContact O-N 3.14Å; D237-Q239 HydrophobicContact CB-CG 4.32Å; D237-Q239 PolarHBondContact O-N 2.91Å |
| 238 | R | 94.3 | Very high | 94.5 | Very high | 72 Ų | 72 | 45.7 Ų | 45.7 | 27% | 0.272 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 60.2 | 7.4 | -173.2 | -60.7 | 177.4 | 173.7 | -93.4 | 4.3 | 115.4 | L196 P197 E198 I200 L202 K235 S236 | L196-R238 HydrophobicContact CB-CB 4.21Å; L196-R238 WeakPolarHBondContact CB-O 3.44Å; L196-R238 PolarHBondContact N-O 2.85Å; L196-R238 WeakPolarHBondContact O-CB 3.45Å; L196-R238 WeakPolarHBondContact O-CD 3.42Å; P197-R238 PolarHBondContact O-NH1 3.02Å; E198-R238 PolarHBondContact O-NH1 2.87Å; E198-R238 PolarHBondContact O-NH2 3.38Å; I200-R238 PolarHBondContact O-NH1 3.21Å; L202-R238 HydrophobicContact CD1-CB 4.44Å; L202-R238 HydrophobicContact CD1-CG 3.81Å; K235-R238 PolarHBondContact O-N 3.16Å; S236-R238 PolarHBondContact O-N 2.81Å; S236-R238 VanDerWaalsContact O-N 3.13Å |
| 239 | Q | 95 | Very high | 94.5 | Very high | 95 Ų | 95 | 46 Ų | 46 | 44% | 0.444 | 24% | 0.237 | S | C | . | . | B | Isolated β-bridge | trans | -84.7 | 141.1 | 175.1 | -59.5 | -177.4 | 13.1 | 0 | 0 | 111.1 | I195 F234 K235 D237 A241 | I195-Q239 HydrophobicContact CG1-CG 4.44Å; F234-Q239 CarbonylContact C-O 3.5Å; F234-Q239 VanDerWaalsContact CA-O 3.32Å; F234-Q239 WeakPolarHBondContact CA-O 3.47Å; K235-Q239 PolarHBondContact N-O 2.86Å; D237-Q239 HydrophobicContact CB-CG 4.32Å; D237-Q239 PolarHBondContact O-N 2.91Å; Q239-A241 PolarHBondContact O-N 3.12Å |
| 240 | A | 95.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 3% | 0.033 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 120.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L192 I194 V232 I233 F234 K269 | L192-A240 HydrophobicContact CB-CB 3.97Å; I194-A240 HydrophobicContact CB-CB 4.01Å; I194-A240 WeakPolarHBondContact O-CB 3.46Å; I194-A240 PolarHBondContact O-N 3.4Å; V232-A240 HydrophobicContact CG1-CB 3.95Å; I233-A240 CarbonylContact O-C 3.56Å; I233-A240 WeakPolarHBondContact O-CA 3.36Å; F234-A240 HydrophobicContact CD1-CB 4.24Å; F234-A240 HydrophobicContact CE1-CB 4.12Å; A240-K269 PolarHBondContact O-NZ 2.83Å |
| 241 | A | 95 | Very high | 94.3 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.008 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | -58.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | I233 K235 Q239 L258 F260 K269 I271 | I233-A241 HydrophobicContact CG2-CB 4.43Å; I233-A241 PolarHBondContact O-N 3.38Å; K235-A241 HydrophobicContact CG-CB 4.3Å; Q239-A241 PolarHBondContact O-N 3.12Å; A241-L258 HydrophobicContact CB-CD1 3.93Å; A241-F260 WeakPolarHBondContact O-CE1 3.28Å; A241-K269 WeakPolarHBondContact O-CD 3.49Å; A241-K269 VanDerWaalsContact O-CE 3.27Å; A241-K269 WeakPolarHBondContact O-CE 3.34Å; A241-K269 PolarHBondContact O-NZ 3.49Å; A241-K269 VanDerWaalsContact O-NZ 3.12Å; A241-I271 HydrophobicContact CB-CD1 3.93Å |
| 242 | G | 94.6 | Very high | 94 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 8% | 0.082 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.6 | -178.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I233 | I233-G242 PolarHBondContact N-O 2.9Å; I233-G242 PolarHBondContact O-N 2.82Å |
| 243 | K | 94.9 | Very high | 93.8 | Very high | 80 Ų | 80 | 53.1 Ų | 53.1 | 35% | 0.348 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 148 | 172.5 | -174 | -173.8 | 173.4 | -170 | 0 | 109.6 | L192 E229 E230 F245 L258 | L192-K243 HydrophobicContact CD1-CB 4.21Å; E229-K243 VanDerWaalsContact O-CE 3.32Å; E229-K243 WeakPolarHBondContact O-CE 3.27Å; E229-K243 WeakPolarHBondContact O-CG 3.19Å; E230-K243 WeakPolarHBondContact OE1-CE 3.49Å; E230-K243 IonicContact OE1-NZ 2.76Å; E230-K243 PolarHBondContact OE1-NZ 2.76Å; E230-K243 VanDerWaalsContact OE2-CE 3.29Å; E230-K243 WeakPolarHBondContact OE2-CE 3.42Å; E230-K243 IonicContact OE2-NZ 3.69Å; E230-K243 PolarHBondContact OE2-NZ 3.07Å; K243-F245 PolarHBondContact O-N 2.86Å; K243-L258 VanDerWaalsContact O-CD2 3.28Å; K243-L258 WeakPolarHBondContact O-CD2 3.28Å |
| 244 | I | 96 | Very high | 93.7 | Very high | 6 Ų | 6 | 53.7 Ų | 53.7 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 132.9 | 172.9 | -61.2 | 175.4 | 0 | 0 | 0 | 109.6 | V227 E229 T231 I233 E246 I247 Y256 V257 L258 | V227-I244 HydrophobicContact CG2-CD1 3.63Å; E229-I244 HydrophobicContact CG-CG2 4.38Å; T231-I244 HydrophobicContact CG2-CD1 4.46Å; T231-I244 PolarHBondContact O-N 3.33Å; I233-I244 HydrophobicContact CD1-CD1 4.09Å; I233-I244 HydrophobicContact CD1-CG1 4.11Å; I233-I244 HydrophobicContact CG1-CD1 4.44Å; I233-I244 HydrophobicContact CG1-CG1 3.92Å; I244-E246 WeakPolarHBondContact CG2-O 3.36Å; I244-I247 HydrophobicContact CG2-CD1 4.23Å; I244-I247 HydrophobicContact CG2-CG1 3.72Å; I244-Y256 HydrophobicContact CD1-CD1 3.73Å; I244-Y256 HydrophobicContact CD1-CE1 4.32Å; I244-Y256 HydrophobicContact CD1-CG 4.17Å; I244-V257 CarbonylContact C-O 3.06Å; I244-V257 WeakPolarHBondContact CA-O 3.07Å; I244-L258 HydrophobicContact CG1-CD2 4.28Å |
| 245 | F | 95.1 | Very high | 93.6 | Very high | 68 Ų | 68 | 56.1 Ų | 56.1 | 30% | 0.298 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -39.5 | 178.1 | 173.6 | -106.6 | 0 | 0 | 0 | 111.7 | L183 L186 L215 K243 V257 R259 | L183-F245 HydrophobicContact CD2-CE1 4.19Å; L183-F245 HydrophobicContact CD2-CZ 4.31Å; L186-F245 HydrophobicContact CD1-CE2 4Å; L186-F245 HydrophobicContact CD1-CZ 3.69Å; L215-F245 HydrophobicContact CD2-CD1 4.47Å; K243-F245 PolarHBondContact O-N 2.86Å; F245-V257 HydrophobicContact CD1-CG1 4.16Å; F245-V257 PolarHBondContact N-O 3.28Å; F245-R259 HydrophobicContact CB-CB 3.73Å; F245-R259 HydrophobicContact CD1-CB 4.15Å; F245-R259 HydrophobicContact CD2-CB 3.96Å; F245-R259 HydrophobicContact CG-CB 3.66Å |
| 246 | E | 94.4 | Very high | 93.7 | Very high | 94 Ų | 94 | 55.5 Ų | 55.5 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 154.5 | -177 | -167.3 | -178.5 | 153.8 | 0 | 0 | 110 | I244 V257 | I244-E246 WeakPolarHBondContact CG2-O 3.36Å; E246-V257 HydrophobicContact CB-CB 4.06Å; E246-V257 HydrophobicContact CB-CG2 4.1Å; E246-V257 PolarHBondContact O-N 3.16Å |
| 247 | I | 94.6 | Very high | 93.9 | Very high | 41 Ų | 41 | 52.6 Ų | 52.6 | 21% | 0.21 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 120.9 | 178.1 | -48.1 | 178.8 | 0 | 0 | 0 | 108.9 | V227 E229 I244 P254 F255 Y256 I290 | V227-I247 WeakPolarHBondContact O-CD1 3.14Å; E229-I247 HydrophobicContact CG-CD1 4.08Å; E229-I247 HydrophobicContact CG-CG1 4.04Å; I244-I247 HydrophobicContact CG2-CD1 4.23Å; I244-I247 HydrophobicContact CG2-CG1 3.72Å; I247-P254 HydrophobicContact CG2-CB 4.04Å; I247-F255 WeakPolarHBondContact CA-O 3.39Å; I247-Y256 HydrophobicContact CB-CD1 4.49Å; I247-Y256 HydrophobicContact CD1-CD1 4.19Å; I247-Y256 HydrophobicContact CD1-CE1 4.17Å; I247-Y256 HydrophobicContact CG1-CD1 3.99Å; I247-Y256 HydrophobicContact CG1-CE1 4.38Å; I247-Y256 HydrophobicContact CG2-CD1 3.93Å; I247-Y256 HydrophobicContact CG2-CE1 3.9Å; I247-I290 HydrophobicContact CD1-CD1 3.87Å |
| 248 | F | 93.8 | Very high | 94 | Very high | 82 Ų | 82 | 48.7 Ų | 48.7 | 36% | 0.36 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 171.8 | -178.7 | 70.6 | -97.9 | 0 | 0 | 0 | 112.8 | I217 F255 V257 | I217-F248 HydrophobicContact CD1-CZ 4.36Å; I217-F248 HydrophobicContact CG2-CE1 4.36Å; I217-F248 HydrophobicContact CG2-CZ 3.97Å; F248-F255 HydrophobicContact CD1-CB 4.25Å; F248-F255 HydrophobicContact CD2-CB 3.97Å; F248-F255 HydrophobicContact CD2-CD2 4.08Å; F248-F255 HydrophobicContact CD2-CG 4.32Å; F248-F255 HydrophobicContact CE1-CB 3.92Å; F248-F255 HydrophobicContact CE2-CB 3.61Å; F248-F255 AromaticContact CE2-CD2 3.77Å; F248-F255 HydrophobicContact CE2-CD2 3.77Å; F248-F255 AromaticContact CE2-CG 3.75Å; F248-F255 HydrophobicContact CE2-CG 3.75Å; F248-F255 HydrophobicContact CG-CB 4.28Å; F248-F255 HydrophobicContact CZ-CB 3.58Å; F248-F255 HydrophobicContact CZ-CG 4.04Å; F248-F255 PolarHBondContact N-O 2.84Å; F248-F255 PolarHBondContact O-N 2.77Å; F248-V257 HydrophobicContact CD1-CG2 3.8Å; F248-V257 HydrophobicContact CE1-CG2 3.51Å |
| 249 | G | 93.9 | Very high | 94 | Very high | 51 Ų | 51 | 46.1 Ų | 46.1 | 53% | 0.526 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 90.3 | -170.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 250 | P | 91 | Very high | 93.9 | Very high | 74 Ų | 74 | 41.9 Ų | 41.9 | 48% | 0.481 | 24% | 0.236 | S | C | . | . | trans | -73 | 142.2 | -173.7 | 30.1 | -35 | 0 | 0 | 0 | 111.9 | A252 H253 P254 | P250-A252 PolarHBondContact O-N 2.91Å; P250-H253 WeakPolarHBondContact CD-O 3.41Å; P250-H253 HydrophobicContact CG-CB 4.15Å; P250-H253 CarbonylContact O-C 3.57Å; P250-H253 PolarHBondContact O-N 3.11Å; P250-P254 VanDerWaalsContact O-N 3.07Å | ||
| 251 | V | 86.9 | Confident | 93.8 | Very high | 112 Ų | 112 | 44.9 Ų | 44.9 | 68% | 0.679 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -24.6 | -178.7 | -179 | 0 | 0 | 0 | 0 | 113.8 | T292 | V251-T292 HydrophobicContact CG1-CG2 3.89Š|
| 252 | A | 86.9 | Confident | 93.6 | Very high | 74 Ų | 74 | 46.8 Ų | 46.8 | 61% | 0.612 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -26.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | P250 | P250-A252 PolarHBondContact O-N 2.91Š|
| 253 | H | 91.1 | Very high | 93.5 | Very high | 91 Ų | 91 | 49.2 Ų | 49.2 | 42% | 0.421 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -143.5 | 67.3 | -177.8 | -54.3 | -71.8 | 0 | 0 | 0 | 109.7 | P250 | P250-H253 WeakPolarHBondContact CD-O 3.41Å; P250-H253 HydrophobicContact CG-CB 4.15Å; P250-H253 CarbonylContact O-C 3.57Å; P250-H253 PolarHBondContact O-N 3.11Å |
| 254 | P | 94.4 | Very high | 93.5 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 8% | 0.078 | 29% | 0.291 | C | S | . | . | trans | -64.5 | 154.6 | 177.6 | 26.1 | -35.5 | 0 | 0 | 0 | 112.1 | S220 I247 P250 Y256 | S220-P254 WeakPolarHBondContact CB-O 3.4Å; S220-P254 PolarHBondContact N-O 3.33Å; S220-P254 VanDerWaalsContact N-O 3.1Å; S220-P254 WeakPolarHBondContact OG-CD 3.33Å; S220-P254 VanDerWaalsContact OG-N 3.15Å; S220-P254 PolarHBondContact OG-O 2.95Å; I247-P254 HydrophobicContact CG2-CB 4.04Å; P250-P254 VanDerWaalsContact O-N 3.07Å; P254-Y256 HydrophobicContact CB-CE1 4.42Å; P254-Y256 HydrophobicContact CG-CE1 4.4Å; P254-Y256 HydrophobicContact CG-CE2 4.26Å; P254-Y256 WeakPolarHBondContact CG-OH 3.33Å | ||
| 255 | F | 96.1 | Very high | 93.3 | Very high | 51 Ų | 51 | 51.4 Ų | 51.4 | 22% | 0.224 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 132.7 | 166.2 | -63 | -90.4 | 0 | 0 | 0 | 108.6 | I217 I218 E219 I247 F248 | I217-F255 HydrophobicContact CG2-CB 4.2Å; I217-F255 HydrophobicContact CG2-CD1 4.06Å; I218-F255 CarbonylContact O-C 3.55Å; I218-F255 WeakPolarHBondContact O-CA 3.5Å; E219-F255 HydrophobicContact CB-CD1 3.94Å; E219-F255 HydrophobicContact CB-CE1 3.75Å; E219-F255 HydrophobicContact CG-CD1 4.27Å; E219-F255 HydrophobicContact CG-CE1 3.68Å; E219-F255 HydrophobicContact CG-CZ 4.32Å; I247-F255 WeakPolarHBondContact CA-O 3.39Å; F248-F255 HydrophobicContact CD1-CB 4.25Å; F248-F255 HydrophobicContact CD2-CB 3.97Å; F248-F255 HydrophobicContact CD2-CD2 4.08Å; F248-F255 HydrophobicContact CD2-CG 4.32Å; F248-F255 HydrophobicContact CE1-CB 3.92Å; F248-F255 HydrophobicContact CE2-CB 3.61Å; F248-F255 AromaticContact CE2-CD2 3.77Å; F248-F255 HydrophobicContact CE2-CD2 3.77Å; F248-F255 AromaticContact CE2-CG 3.75Å; F248-F255 HydrophobicContact CE2-CG 3.75Å; F248-F255 HydrophobicContact CG-CB 4.28Å; F248-F255 HydrophobicContact CZ-CB 3.58Å; F248-F255 HydrophobicContact CZ-CG 4.04Å; F248-F255 PolarHBondContact N-O 2.84Å; F248-F255 PolarHBondContact O-N 2.77Å |
| 256 | Y | 96.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 130.4 | 177.8 | -55.4 | -71.7 | 0 | 0 | 0 | 109.7 | L205 I218 V227 I244 I247 P254 | L205-Y256 HydrophobicContact CD1-CD2 4.3Å; L205-Y256 HydrophobicContact CD1-CE2 3.62Å; L205-Y256 HydrophobicContact CD2-CD2 3.7Å; L205-Y256 HydrophobicContact CD2-CE2 3.87Å; L205-Y256 HydrophobicContact CD2-CG 4.28Å; L205-Y256 HydrophobicContact CG-CD2 3.92Å; L205-Y256 HydrophobicContact CG-CE2 3.72Å; I218-Y256 PolarHBondContact N-O 3.49Å; I218-Y256 PolarHBondContact O-N 3.03Å; V227-Y256 HydrophobicContact CG2-CD1 4.22Å; V227-Y256 HydrophobicContact CG2-CE1 3.59Å; V227-Y256 HydrophobicContact CG2-CE2 4.39Å; V227-Y256 PolarHBondContact N-OH 2.9Å; I244-Y256 HydrophobicContact CD1-CD1 3.73Å; I244-Y256 HydrophobicContact CD1-CE1 4.32Å; I244-Y256 HydrophobicContact CD1-CG 4.17Å; I247-Y256 HydrophobicContact CB-CD1 4.49Å; I247-Y256 HydrophobicContact CD1-CD1 4.19Å; I247-Y256 HydrophobicContact CD1-CE1 4.17Å; I247-Y256 HydrophobicContact CG1-CD1 3.99Å; I247-Y256 HydrophobicContact CG1-CE1 4.38Å; I247-Y256 HydrophobicContact CG2-CD1 3.93Å; I247-Y256 HydrophobicContact CG2-CE1 3.9Å; P254-Y256 HydrophobicContact CB-CE1 4.42Å; P254-Y256 HydrophobicContact CG-CE1 4.4Å; P254-Y256 HydrophobicContact CG-CE2 4.26Å; P254-Y256 WeakPolarHBondContact CG-OH 3.33Å |
| 257 | V | 96.9 | Very high | 93.2 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.024 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 132.5 | 176.6 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | L215 V216 I244 F245 E246 F248 | L215-V257 HydrophobicContact CB-CG1 4.04Å; L215-V257 HydrophobicContact CD1-CG1 4.11Å; L215-V257 HydrophobicContact CD2-CG1 3.96Å; L215-V257 HydrophobicContact CG-CG1 4.26Å; V216-V257 CarbonylContact O-C 3.57Å; V216-V257 WeakPolarHBondContact O-CA 3.46Å; I244-V257 CarbonylContact C-O 3.06Å; I244-V257 WeakPolarHBondContact CA-O 3.07Å; F245-V257 HydrophobicContact CD1-CG1 4.16Å; F245-V257 PolarHBondContact N-O 3.28Å; E246-V257 HydrophobicContact CB-CB 4.06Å; E246-V257 HydrophobicContact CB-CG2 4.1Å; E246-V257 PolarHBondContact O-N 3.16Å; F248-V257 HydrophobicContact CD1-CG2 3.8Å; F248-V257 HydrophobicContact CE1-CG2 3.51Å |
| 258 | L | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 134 | 162.2 | -56.5 | -178.3 | 0 | 0 | 0 | 108.8 | L215 V216 I218 I233 A241 K243 I244 F260 | L215-L258 CarbonylContact C-O 3.59Å; L215-L258 WeakPolarHBondContact CA-O 3.41Å; V216-L258 HydrophobicContact CB-CB 4.3Å; V216-L258 PolarHBondContact N-O 3.16Å; V216-L258 PolarHBondContact O-N 2.82Å; I218-L258 HydrophobicContact CD1-CD1 3.81Å; I218-L258 HydrophobicContact CD1-CG 3.93Å; I233-L258 HydrophobicContact CB-CD1 4.2Å; I233-L258 HydrophobicContact CB-CD2 4.13Å; I233-L258 HydrophobicContact CG1-CD2 3.76Å; I233-L258 HydrophobicContact CG2-CD1 4.28Å; A241-L258 HydrophobicContact CB-CD1 3.93Å; K243-L258 VanDerWaalsContact O-CD2 3.28Å; K243-L258 WeakPolarHBondContact O-CD2 3.28Å; I244-L258 HydrophobicContact CG1-CD2 4.28Å; L258-F260 HydrophobicContact CB-CD2 4.47Å; L258-F260 HydrophobicContact CB-CE2 3.64Å; L258-F260 HydrophobicContact CB-CZ 4.14Å; L258-F260 HydrophobicContact CD1-CE2 4.36Å; L258-F260 HydrophobicContact CD1-CZ 4.21Å |
| 259 | R | 94.9 | Very high | 93 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 7% | 0.072 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 132.5 | 174.5 | -178.3 | 174.5 | 171.4 | -114.6 | -5 | 110.6 | L183 L186 P187 V189 L215 F245 | L183-R259 PolarHBondContact O-NH2 2.89Å; L186-R259 PolarHBondContact O-NH2 2.9Å; P187-R259 PolarHBondContact O-NH1 3.49Å; P187-R259 PolarHBondContact O-NH2 2.84Å; V189-R259 HydrophobicContact CG2-CB 4.15Å; V189-R259 HydrophobicContact CG2-CG 3.81Å; L215-R259 HydrophobicContact CD2-CB 3.68Å; L215-R259 HydrophobicContact CD2-CG 3.75Å; F245-R259 HydrophobicContact CB-CB 3.73Å; F245-R259 HydrophobicContact CD1-CB 4.15Å; F245-R259 HydrophobicContact CD2-CB 3.96Å; F245-R259 HydrophobicContact CG-CB 3.66Å |
| 260 | F | 94.1 | Very high | 93 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | trans | -115.5 | 172.8 | 174.7 | -64.8 | -85.5 | 0 | 0 | 0 | 110.4 | Q214 V216 A241 L258 H265 I266 K269 I271 | Q214-F260 PolarHBondContact O-N 3.36Å; Q214-F260 PolarHBondContact OE1-O 3.02Å; V216-F260 HydrophobicContact CB-CE2 4.1Å; V216-F260 HydrophobicContact CG2-CD2 3.91Å; V216-F260 HydrophobicContact CG2-CE2 3.5Å; A241-F260 WeakPolarHBondContact O-CE1 3.28Å; L258-F260 HydrophobicContact CB-CD2 4.47Å; L258-F260 HydrophobicContact CB-CE2 3.64Å; L258-F260 HydrophobicContact CB-CZ 4.14Å; L258-F260 HydrophobicContact CD1-CE2 4.36Å; L258-F260 HydrophobicContact CD1-CZ 4.21Å; F260-H265 HydrophobicContact CB-CB 4.3Å; F260-H265 AromaticContact CD1-ND1 3.83Å; F260-I266 HydrophobicContact CB-CG1 3.98Å; F260-I266 HydrophobicContact CD2-CD1 4.08Å; F260-I266 HydrophobicContact CD2-CG1 3.6Å; F260-I266 HydrophobicContact CE2-CG1 4.26Å; F260-I266 HydrophobicContact CG-CG1 3.77Å; F260-K269 HydrophobicContact CD1-CD 4.18Å; F260-K269 HydrophobicContact CE1-CD 3.52Å; F260-K269 HydrophobicContact CZ-CD 4.42Å; F260-I271 HydrophobicContact CE1-CD1 4.28Å; F260-I271 HydrophobicContact CE2-CD1 4.25Å; F260-I271 HydrophobicContact CZ-CD1 3.61Å | ||
| 261 | N | 92.3 | Very high | 93.1 | Very high | 67 Ų | 67 | 46.6 Ų | 46.6 | 36% | 0.358 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -88.3 | -16.3 | 179.2 | -66.7 | -46.4 | 0 | 0 | 0 | 114 | S188 V189 | S188-N261 VanDerWaalsContact CA-OD1 3.28Å; S188-N261 WeakPolarHBondContact CA-OD1 3.27Å; S188-N261 WeakPolarHBondContact CB-OD1 3.41Å; V189-N261 PolarHBondContact N-OD1 3.21Å; V189-N261 PolarHBondContact O-ND2 2.82Å |
| 262 | S | 91.6 | Very high | 93.5 | Very high | 40 Ų | 40 | 48.2 Ų | 48.2 | 28% | 0.28 | 27% | 0.269 | S | S | . | . | trans | -160.8 | 158.1 | 176.2 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | D264 H265 | S262-D264 PolarHBondContact O-N 2.78Å; S262-D264 PolarHBondContact OG-N 2.86Å; S262-D264 PolarHBondContact OG-OD2 2.81Å; S262-H265 WeakPolarHBondContact O-CB 3.32Å; S262-H265 PolarHBondContact O-N 3.38Å | ||
| 263 | S | 92.4 | Very high | 94 | Very high | 59 Ų | 59 | 49.4 Ų | 49.4 | 41% | 0.413 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -55.8 | -37.1 | 165 | 48.8 | 0 | 0 | 0 | 0 | 112.1 | H265 I266 E267 | S263-H265 PolarHBondContact O-N 3.19Å; S263-H265 VanDerWaalsContact O-N 3.16Å; S263-I266 VanDerWaalsContact O-CB 3.27Å; S263-I266 WeakPolarHBondContact O-CB 3.17Å; S263-I266 PolarHBondContact O-N 2.87Å; S263-E267 PolarHBondContact O-N 3.44Å |
| 264 | D | 93.4 | Very high | 94.2 | Very high | 107 Ų | 107 | 52.9 Ų | 52.9 | 57% | 0.572 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.5 | -25.2 | -179.4 | -41.9 | -48.7 | 0 | 0 | 0 | 112.1 | S262 S268 | S262-D264 PolarHBondContact O-N 2.78Å; S262-D264 PolarHBondContact OG-N 2.86Å; S262-D264 PolarHBondContact OG-OD2 2.81Å; D264-S268 WeakPolarHBondContact O-CB 3.44Å; D264-S268 PolarHBondContact O-N 3.02Å; D264-S268 PolarHBondContact O-OG 3.25Å |
| 265 | H | 92.7 | Very high | 94.3 | Very high | 25 Ų | 25 | 53.9 Ų | 53.9 | 12% | 0.116 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -74.5 | -29.5 | 177.1 | -164 | -169.9 | 0 | 0 | 0 | 112.3 | E191 F260 S262 S263 S268 K269 | E191-H265 IonicContact OE1-CD2 2.81Å; E191-H265 IonicContact OE1-CE1 2.77Å; E191-H265 IonicContact OE1-NE2 2.73Å; E191-H265 PolarHBondContact OE1-NE2 2.78Å; E191-H265 IonicContact OE2-NE2 3.73Å; F260-H265 HydrophobicContact CB-CB 4.3Å; F260-H265 AromaticContact CD1-ND1 3.83Å; S262-H265 WeakPolarHBondContact O-CB 3.32Å; S262-H265 PolarHBondContact O-N 3.38Å; S263-H265 PolarHBondContact O-N 3.19Å; S263-H265 VanDerWaalsContact O-N 3.16Å; H265-S268 WeakPolarHBondContact CA-OG 3.3Å; H265-S268 PolarHBondContact O-OG 3.1Å; H265-K269 WeakPolarHBondContact O-CB 3.33Å; H265-K269 PolarHBondContact O-N 2.89Å; H265-K269 VanDerWaalsContact O-N 3.16Å |
| 266 | I | 93.8 | Very high | 94.3 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.1 | -45.1 | 173.5 | -51.7 | 175.6 | 0 | 0 | 0 | 108.9 | I211 V216 F260 S263 G270 I271 | I211-I266 HydrophobicContact CD1-CG2 4.12Å; I211-I266 HydrophobicContact CG2-CD1 3.72Å; I211-I266 HydrophobicContact CG2-CG2 4.35Å; V216-I266 HydrophobicContact CG2-CB 4.47Å; V216-I266 HydrophobicContact CG2-CD1 3.8Å; V216-I266 HydrophobicContact CG2-CG1 4.07Å; V216-I266 HydrophobicContact CG2-CG2 3.58Å; F260-I266 HydrophobicContact CB-CG1 3.98Å; F260-I266 HydrophobicContact CD2-CD1 4.08Å; F260-I266 HydrophobicContact CD2-CG1 3.6Å; F260-I266 HydrophobicContact CE2-CG1 4.26Å; F260-I266 HydrophobicContact CG-CG1 3.77Å; S263-I266 VanDerWaalsContact O-CB 3.27Å; S263-I266 WeakPolarHBondContact O-CB 3.17Å; S263-I266 PolarHBondContact O-N 2.87Å; I266-G270 PolarHBondContact O-N 2.85Å; I266-I271 HydrophobicContact CG2-CB 3.79Å; I266-I271 HydrophobicContact CG2-CG2 4Å; I266-I271 PolarHBondContact O-N 3.26Å |
| 267 | E | 93.8 | Very high | 94.3 | Very high | 150 Ų | 150 | 53.1 Ų | 53.1 | 70% | 0.701 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66 | -40.3 | 176.6 | -63.5 | -165.3 | 176.5 | 0 | 0 | 112.7 | S263 G270 | S263-E267 PolarHBondContact O-N 3.44Å; E267-G270 VanDerWaalsContact O-CA 3.25Å; E267-G270 WeakPolarHBondContact O-CA 3.34Å; E267-G270 PolarHBondContact O-N 3.04Å |
| 268 | S | 92.8 | Very high | 94.3 | Very high | 91 Ų | 91 | 55.9 Ų | 55.9 | 64% | 0.636 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -70.4 | -32.5 | 179.8 | 72.3 | 0 | 0 | 0 | 0 | 113.4 | D264 H265 G270 | D264-S268 WeakPolarHBondContact O-CB 3.44Å; D264-S268 PolarHBondContact O-N 3.02Å; D264-S268 PolarHBondContact O-OG 3.25Å; H265-S268 WeakPolarHBondContact CA-OG 3.3Å; H265-S268 PolarHBondContact O-OG 3.1Å; S268-G270 PolarHBondContact O-N 3.15Å |
| 269 | K | 91.3 | Very high | 94.3 | Very high | 29 Ų | 29 | 56 Ų | 56 | 13% | 0.126 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -9 | 165.9 | -76.1 | 172.4 | 171.5 | -76.5 | 0 | 112.9 | L192 K235 A240 A241 F260 H265 I271 | L192-K269 PolarHBondContact O-NZ 3.5Å; K235-K269 WeakPolarHBondContact CD-O 3.41Å; K235-K269 VanDerWaalsContact CE-O 3.3Å; K235-K269 WeakPolarHBondContact CE-O 3.5Å; K235-K269 PolarHBondContact NZ-O 2.99Å; A240-K269 PolarHBondContact O-NZ 2.83Å; A241-K269 WeakPolarHBondContact O-CD 3.49Å; A241-K269 VanDerWaalsContact O-CE 3.27Å; A241-K269 WeakPolarHBondContact O-CE 3.34Å; A241-K269 PolarHBondContact O-NZ 3.49Å; A241-K269 VanDerWaalsContact O-NZ 3.12Å; F260-K269 HydrophobicContact CD1-CD 4.18Å; F260-K269 HydrophobicContact CE1-CD 3.52Å; F260-K269 HydrophobicContact CZ-CD 4.42Å; H265-K269 WeakPolarHBondContact O-CB 3.33Å; H265-K269 PolarHBondContact O-N 2.89Å; H265-K269 VanDerWaalsContact O-N 3.16Å; K269-I271 VanDerWaalsContact C-N 3.34Å; K269-I271 HydrophobicContact CB-CD1 4.04Å; K269-I271 HydrophobicContact CB-CG1 4.1Å |
| 270 | G | 92.9 | Very high | 94.3 | Very high | 27 Ų | 27 | 55 Ų | 55 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 21.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I266 E267 S268 | I266-G270 PolarHBondContact O-N 2.85Å; E267-G270 VanDerWaalsContact O-CA 3.25Å; E267-G270 WeakPolarHBondContact O-CA 3.34Å; E267-G270 PolarHBondContact O-N 3.04Å; S268-G270 PolarHBondContact O-N 3.15Å |
| 271 | I | 95.1 | Very high | 94.2 | Very high | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.036 | 30% | 0.295 | C | S | . | . | trans | -76.3 | 127.6 | -175.6 | -65.1 | 170.6 | 0 | 0 | 0 | 110.1 | V208 V216 K235 A241 F260 I266 K269 E275 M277 | V208-I271 HydrophobicContact CG2-CG2 4.13Å; V216-I271 HydrophobicContact CG1-CG2 3.99Å; V216-I271 HydrophobicContact CG2-CG2 4.19Å; K235-I271 HydrophobicContact CD-CG1 4.43Å; A241-I271 HydrophobicContact CB-CD1 3.93Å; F260-I271 HydrophobicContact CE1-CD1 4.28Å; F260-I271 HydrophobicContact CE2-CD1 4.25Å; F260-I271 HydrophobicContact CZ-CD1 3.61Å; I266-I271 HydrophobicContact CG2-CB 3.79Å; I266-I271 HydrophobicContact CG2-CG2 4Å; I266-I271 PolarHBondContact O-N 3.26Å; K269-I271 VanDerWaalsContact C-N 3.34Å; K269-I271 HydrophobicContact CB-CD1 4.04Å; K269-I271 HydrophobicContact CB-CG1 4.1Å; I271-E275 VanDerWaalsContact CA-OE2 3.27Å; I271-E275 WeakPolarHBondContact CA-OE2 3.4Å; I271-M277 HydrophobicContact CB-CE 4.31Å; I271-M277 HydrophobicContact CG1-CE 4.03Å; I271-M277 HydrophobicContact CG2-CE 3.66Å | ||
| 272 | K | 95.4 | Very high | 94.1 | Very high | 147 Ų | 147 | 56.5 Ų | 56.5 | 64% | 0.639 | 30% | 0.304 | S | S | * | . | trans | -129.9 | 153.9 | -177 | -65.6 | 175.9 | -173.8 | 174.1 | 0 | 113 | V208 K274 E275 | V208-K272 WeakPolarHBondContact CB-O 3.49Å; K272-K274 PolarHBondContact O-N 2.77Å; K272-E275 PolarHBondContact N-OE2 3.22Å; K272-E275 WeakPolarHBondContact O-CB 3.46Å; K272-E275 PolarHBondContact O-N 2.79Å | ||
| 273 | I | 96.2 | Very high | 94 | Very high | 98 Ų | 98 | 57.4 Ų | 57.4 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 138.9 | 170.8 | -50.7 | 177.1 | 0 | 0 | 0 | 109 | I211 E275 | I211-I273 HydrophobicContact CD1-CG1 3.98Å; I211-I273 HydrophobicContact CG1-CG1 4.11Å; I273-E275 VanDerWaalsContact C-N 3.27Å; I273-E275 PolarHBondContact O-N 3.2Å |
| 274 | K | 95.9 | Very high | 93.9 | Very high | 164 Ų | 164 | 63.5 Ų | 63.5 | 71% | 0.713 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 6.5 | -171 | -49.7 | -172.6 | -179.3 | 179.9 | 0 | 116.4 | M207 V208 K272 | M207-K274 HydrophobicContact SD-CB 3.98Å; M207-K274 HydrophobicContact SD-CG 4.38Å; V208-K274 PolarHBondContact O-N 3.05Å; K272-K274 PolarHBondContact O-N 2.77Å |
| 275 | E | 95.9 | Very high | 93.7 | Very high | 34 Ų | 34 | 65.4 Ų | 65.4 | 16% | 0.159 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 139 | 170.1 | -169.8 | 174.4 | 168.7 | 0 | 0 | 110.8 | M207 V208 K235 I271 K272 I273 M277 | M207-E275 CarbonylContact C-O 3.59Å; M207-E275 WeakPolarHBondContact CA-O 3.49Å; V208-E275 HydrophobicContact CG2-CB 4.36Å; V208-E275 PolarHBondContact N-O 2.83Å; K235-E275 WeakPolarHBondContact CE-OE1 3.43Å; K235-E275 IonicContact NZ-OE1 2.75Å; I271-E275 VanDerWaalsContact CA-OE2 3.27Å; I271-E275 WeakPolarHBondContact CA-OE2 3.4Å; K272-E275 PolarHBondContact N-OE2 3.22Å; K272-E275 WeakPolarHBondContact O-CB 3.46Å; K272-E275 PolarHBondContact O-N 2.79Å; I273-E275 VanDerWaalsContact C-N 3.27Å; I273-E275 PolarHBondContact O-N 3.2Å; E275-M277 HydrophobicContact CB-CE 4.18Å; E275-M277 HydrophobicContact CG-CE 3.97Å |
| 276 | T | 96.8 | Very high | 93.5 | Very high | 37 Ų | 37 | 66.3 Ų | 66.3 | 23% | 0.227 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 127.2 | 175.3 | -59.5 | 0 | 0 | 0 | 0 | 109.6 | P204 G206 M221 Y278 | P204-T276 HydrophobicContact CB-CG2 3.96Å; G206-T276 WeakPolarHBondContact O-CA 3.32Å; M221-T276 HydrophobicContact CE-CG2 3.82Å; T276-Y278 HydrophobicContact CG2-CE1 4.31Å; T276-Y278 HydrophobicContact CG2-CE2 3.95Å; T276-Y278 WeakPolarHBondContact O-CD2 3.42Å; T276-Y278 WeakPolarHBondContact O-CE2 3.29Å |
| 277 | M | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 150.1 | 178.3 | -67.5 | -63.2 | 165.3 | 0 | 0 | 110.5 | L205 G206 V208 I218 I233 K235 I271 E275 | L205-M277 PolarHBondContact N-O 3.17Å; G206-M277 PolarHBondContact N-O 2.84Å; G206-M277 PolarHBondContact O-N 2.85Å; V208-M277 HydrophobicContact CG2-CE 3.52Å; V208-M277 HydrophobicContact CG2-CG 3.91Å; I218-M277 HydrophobicContact CD1-CB 3.99Å; I218-M277 HydrophobicContact CD1-CG 3.79Å; I218-M277 HydrophobicContact CG1-CG 4.14Å; I218-M277 HydrophobicContact CG2-CB 4.24Å; I233-M277 HydrophobicContact CG2-CB 3.8Å; I233-M277 HydrophobicContact CG2-CG 4.3Å; I233-M277 HydrophobicContact CG2-SD 4.32Å; K235-M277 HydrophobicContact CG-SD 4.46Å; I271-M277 HydrophobicContact CB-CE 4.31Å; I271-M277 HydrophobicContact CG1-CE 4.03Å; I271-M277 HydrophobicContact CG2-CE 3.66Å; E275-M277 HydrophobicContact CB-CE 4.18Å; E275-M277 HydrophobicContact CG-CE 3.97Å |
| 278 | Y | 96.1 | Very high | 93.5 | Very high | 61 Ų | 61 | 63.8 Ų | 63.8 | 24% | 0.239 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 161.2 | -171.3 | -59.7 | -98 | 0 | 0 | 0 | 111.6 | L202 K203 P204 F234 T276 | L202-Y278 HydrophobicContact CB-CD1 4.17Å; L202-Y278 HydrophobicContact CB-CG 4.42Å; K203-Y278 CarbonylContact O-C 3.4Å; K203-Y278 WeakPolarHBondContact O-CA 3.42Å; K203-Y278 WeakPolarHBondContact O-CB 3.35Å; P204-Y278 HydrophobicContact CB-CD1 4.2Å; P204-Y278 HydrophobicContact CB-CE1 4.05Å; F234-Y278 PolarHBondContact N-O 2.85Å; F234-Y278 WeakPolarHBondContact O-CA 3.28Å; F234-Y278 PolarHBondContact O-N 3.03Å; T276-Y278 HydrophobicContact CG2-CE1 4.31Å; T276-Y278 HydrophobicContact CG2-CE2 3.95Å; T276-Y278 WeakPolarHBondContact O-CD2 3.42Å; T276-Y278 WeakPolarHBondContact O-CE2 3.29Å |
| 279 | F | 95.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.009 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 168.2 | 171.5 | 72.4 | -72.5 | 0 | 0 | 0 | 110 | L202 K203 L205 L224 V227 I233 P281 T287 Y289 | L202-F279 WeakPolarHBondContact CA-O 3.36Å; L202-F279 WeakPolarHBondContact CD2-O 3.47Å; K203-F279 HydrophobicContact CB-CD1 4.11Å; K203-F279 HydrophobicContact CB-CE1 3.59Å; K203-F279 HydrophobicContact CB-CZ 3.98Å; K203-F279 PolarHBondContact N-O 2.71Å; K203-F279 WeakPolarHBondContact O-CD1 2.92Å; K203-F279 PolarHBondContact O-N 3.03Å; L205-F279 HydrophobicContact CB-CD1 3.78Å; L205-F279 HydrophobicContact CB-CE1 4.43Å; L205-F279 HydrophobicContact CD1-CD1 3.94Å; L205-F279 HydrophobicContact CD1-CE1 4.15Å; L205-F279 HydrophobicContact CD1-CG 4.48Å; L205-F279 HydrophobicContact CG-CD1 4.41Å; L224-F279 HydrophobicContact CD2-CE1 4.25Å; L224-F279 HydrophobicContact CD2-CZ 4.41Å; V227-F279 HydrophobicContact CG1-CD2 4.19Å; V227-F279 HydrophobicContact CG1-CE2 4.25Å; I233-F279 HydrophobicContact CD1-CB 4.44Å; F279-P281 VanDerWaalsContact C-CD 3.45Å; F279-P281 HydrophobicContact CD2-CG 4.09Å; F279-P281 HydrophobicContact CE2-CB 4.26Å; F279-P281 HydrophobicContact CE2-CG 3.68Å; F279-P281 HydrophobicContact CZ-CG 4.06Å; F279-P281 WeakPolarHBondContact O-CD 3.5Å; F279-T287 HydrophobicContact CD2-CG2 3.73Å; F279-T287 HydrophobicContact CE2-CG2 4.12Å; F279-Y289 HydrophobicContact CE2-CE1 4.03Å |
| 280 | A | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -114.2 | 77 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L196 I200 L202 F234 S282 M283 T287 | L196-A280 HydrophobicContact CD1-CB 4.38Å; L196-A280 HydrophobicContact CD2-CB 3.76Å; I200-A280 HydrophobicContact CG2-CB 4.25Å; L202-A280 HydrophobicContact CD2-CB 4.33Å; F234-A280 HydrophobicContact CD2-CB 4.31Å; F234-A280 HydrophobicContact CE2-CB 3.91Å; A280-S282 PolarHBondContact O-N 3.16Å; A280-M283 HydrophobicContact CB-CB 4.48Å; A280-M283 PolarHBondContact O-N 2.75Å; A280-T287 PolarHBondContact O-OG1 3.45Å | ||
| 281 | P | 92.1 | Very high | 93 | Very high | 25 Ų | 25 | 68.1 Ų | 68.1 | 16% | 0.162 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -33.9 | -174.8 | -21.7 | 19.7 | 0 | 0 | 0 | 115.7 | K203 F279 M283 Y289 | K203-P281 HydrophobicContact CB-CG 3.89Å; K203-P281 HydrophobicContact CD-CG 3.53Å; K203-P281 HydrophobicContact CG-CG 3.66Å; F279-P281 VanDerWaalsContact C-CD 3.45Å; F279-P281 HydrophobicContact CD2-CG 4.09Å; F279-P281 HydrophobicContact CE2-CB 4.26Å; F279-P281 HydrophobicContact CE2-CG 3.68Å; F279-P281 HydrophobicContact CZ-CG 4.06Å; F279-P281 WeakPolarHBondContact O-CD 3.5Å; P281-M283 VanDerWaalsContact C-N 3.31Å; P281-M283 PolarHBondContact O-N 3Å; P281-Y289 WeakPolarHBondContact CB-OH 3.23Å |
| 282 | S | 90.3 | Very high | 92.4 | Very high | 79 Ų | 79 | 70.4 Ų | 70.4 | 55% | 0.552 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -19.8 | -175.8 | -55.3 | 0 | 0 | 0 | 0 | 113.2 | A280 | A280-S282 PolarHBondContact O-N 3.16Š|
| 283 | M | 90.7 | Very high | 91.9 | Very high | 59 Ų | 59 | 70.3 Ų | 70.3 | 29% | 0.291 | 34% | 0.342 | S | S | . | . | trans | -103.3 | 107.3 | -179.4 | -78.7 | -173.5 | 151.8 | 0 | 0 | 111.2 | L196 I200 A280 P281 D285 F286 T287 | L196-M283 HydrophobicContact CD1-SD 3.62Å; I200-M283 HydrophobicContact CD1-CE 3.35Å; I200-M283 HydrophobicContact CD1-CG 4.46Å; I200-M283 HydrophobicContact CD1-SD 3.58Å; I200-M283 VanDerWaalsContact CD1-SD 3.58Å; I200-M283 HydrophobicContact CG1-CE 4.14Å; I200-M283 HydrophobicContact CG1-SD 4.3Å; A280-M283 HydrophobicContact CB-CB 4.48Å; A280-M283 PolarHBondContact O-N 2.75Å; P281-M283 VanDerWaalsContact C-N 3.31Å; P281-M283 PolarHBondContact O-N 3Å; M283-D285 PolarHBondContact O-N 2.88Å; M283-F286 HydrophobicContact CB-CB 4.34Å; M283-F286 HydrophobicContact CB-CD2 3.88Å; M283-F286 HydrophobicContact CB-CG 4.47Å; M283-F286 HydrophobicContact CE-CE2 4.49Å; M283-F286 HydrophobicContact CG-CD2 4.32Å; M283-F286 PolarHBondContact O-N 3.01Å; M283-F286 HydrophobicContact SD-CD2 3.44Å; M283-F286 WeakPolarHBondContact SD-CD2 3.13Å; M283-F286 HydrophobicContact SD-CE2 3.45Å; M283-F286 WeakPolarHBondContact SD-CE2 3.46Å; M283-T287 PolarHBondContact O-N 2.77Å | ||
| 284 | K | 89.1 | Confident | 91.3 | Very high | 186 Ų | 186 | 71.6 Ų | 71.6 | 81% | 0.809 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -25.4 | 178.6 | -63 | 177.9 | -177.7 | 175.5 | 0 | 113.3 | F286 | K284-F286 VanDerWaalsContact C-N 3.26Å; K284-F286 PolarHBondContact O-N 3.19Å |
| 285 | D | 88.8 | Confident | 90.6 | Very high | 148 Ų | 148 | 68.8 Ų | 68.8 | 79% | 0.791 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -18.2 | 179.2 | -49.1 | -39 | 0 | 0 | 0 | 111.9 | M283 | M283-D285 PolarHBondContact O-N 2.88Š|
| 286 | F | 89.8 | Confident | 89.8 | Confident | 44 Ų | 44 | 75.5 Ų | 75.5 | 19% | 0.193 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -17.9 | 178.4 | -59.7 | -38.3 | 0 | 0 | 0 | 114.2 | I194 L196 T231 V232 F234 M283 K284 | I194-F286 HydrophobicContact CD1-CE1 3.8Å; I194-F286 HydrophobicContact CD1-CZ 4.16Å; I194-F286 HydrophobicContact CG2-CE2 4.36Å; I194-F286 HydrophobicContact CG2-CZ 4.01Å; L196-F286 HydrophobicContact CD1-CD2 4.06Å; L196-F286 HydrophobicContact CD1-CE2 4.04Å; T231-F286 CarbonylContact C-O 3.59Å; T231-F286 VanDerWaalsContact CA-O 3.3Å; T231-F286 WeakPolarHBondContact CA-O 3.25Å; T231-F286 WeakPolarHBondContact CG2-O 3.49Å; V232-F286 HydrophobicContact CB-CB 4.27Å; V232-F286 HydrophobicContact CG2-CD1 4.1Å; V232-F286 PolarHBondContact N-O 3.45Å; F234-F286 HydrophobicContact CE2-CB 4.29Å; F234-F286 HydrophobicContact CZ-CB 4.36Å; F234-F286 AromaticContact CZ-CD2 3.98Å; F234-F286 HydrophobicContact CZ-CD2 3.98Å; F234-F286 HydrophobicContact CZ-CG 4.16Å; M283-F286 HydrophobicContact CB-CB 4.34Å; M283-F286 HydrophobicContact CB-CD2 3.88Å; M283-F286 HydrophobicContact CB-CG 4.47Å; M283-F286 HydrophobicContact CE-CE2 4.49Å; M283-F286 HydrophobicContact CG-CD2 4.32Å; M283-F286 PolarHBondContact O-N 3.01Å; M283-F286 HydrophobicContact SD-CD2 3.44Å; M283-F286 WeakPolarHBondContact SD-CD2 3.13Å; M283-F286 HydrophobicContact SD-CE2 3.45Å; M283-F286 WeakPolarHBondContact SD-CE2 3.46Å; K284-F286 VanDerWaalsContact C-N 3.26Å; K284-F286 PolarHBondContact O-N 3.19Å |
| 287 | T | 93.8 | Very high | 89.1 | Confident | 8 Ų | 8 | 80.8 Ų | 80.8 | 5% | 0.049 | 39% | 0.387 | C | S | . | . | trans | -126.8 | 119.7 | 179.3 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | V227 T231 F279 A280 M283 Y289 | V227-T287 HydrophobicContact CG1-CG2 4Å; T231-T287 HydrophobicContact CG2-CG2 4.33Å; F279-T287 HydrophobicContact CD2-CG2 3.73Å; F279-T287 HydrophobicContact CE2-CG2 4.12Å; A280-T287 PolarHBondContact O-OG1 3.45Å; M283-T287 PolarHBondContact O-N 2.77Å; T287-Y289 HydrophobicContact CG2-CD1 4.44Å; T287-Y289 HydrophobicContact CG2-CE1 3.83Å; T287-Y289 HydrophobicContact CG2-CE2 3.98Å | ||
| 288 | Q | 92.4 | Very high | 88.1 | Confident | 94 Ų | 94 | 86.3 Ų | 86.3 | 44% | 0.439 | 42% | 0.417 | S | S | . | . | trans | -119.3 | 133.6 | 172.5 | -170.9 | 175.1 | 103.8 | 0 | 0 | 109.8 | V227 N228 E230 T231 | V227-Q288 CarbonylContact C-O 3.58Å; V227-Q288 WeakPolarHBondContact CA-O 2.96Å; N228-Q288 HydrophobicContact CB-CB 4.21Å; N228-Q288 HydrophobicContact CB-CG 4.23Å; N228-Q288 PolarHBondContact N-O 3.46Å; N228-Q288 PolarHBondContact ND2-OE1 2.84Å; E230-Q288 HydrophobicContact CB-CB 4.41Å; T231-Q288 PolarHBondContact OG1-N 3.02Å; T231-Q288 VanDerWaalsContact OG1-N 3.11Å; T231-Q288 PolarHBondContact OG1-O 2.78Å | ||
| 289 | Y | 91.6 | Very high | 86.8 | Confident | 70 Ų | 70 | 93.3 Ų | 93.3 | 28% | 0.275 | 45% | 0.448 | S | S | . | . | B | Isolated β-bridge | trans | -100.5 | 143.9 | -177.3 | -63 | -72 | 0 | 0 | 0 | 112.9 | P225 V227 F279 P281 T287 | P225-Y289 HydrophobicContact CB-CD1 3.96Å; P225-Y289 HydrophobicContact CB-CE1 4.2Å; P225-Y289 HydrophobicContact CG-CD1 3.88Å; P225-Y289 HydrophobicContact CG-CE1 3.59Å; V227-Y289 HydrophobicContact CG1-CD1 3.93Å; V227-Y289 HydrophobicContact CG1-CE1 3.9Å; F279-Y289 HydrophobicContact CE2-CE1 4.03Å; P281-Y289 WeakPolarHBondContact CB-OH 3.23Å; T287-Y289 HydrophobicContact CG2-CD1 4.44Å; T287-Y289 HydrophobicContact CG2-CE1 3.83Å; T287-Y289 HydrophobicContact CG2-CE2 3.98Å |
| 290 | I | 88.8 | Confident | 85.4 | Confident | 41 Ų | 41 | 96.7 Ų | 96.7 | 21% | 0.21 | 48% | 0.484 | C | S | . | . | trans | -84.6 | 118.6 | 172.4 | -61.2 | 176.6 | 0 | 0 | 0 | 109.4 | P226 V227 N228 I247 T292 L295 | P226-I290 HydrophobicContact CB-CB 4.33Å; P226-I290 HydrophobicContact CG-CB 4.22Å; P226-I290 PolarHBondContact O-N 2.89Å; V227-I290 VanDerWaalsContact O-CD1 3.28Å; V227-I290 WeakPolarHBondContact O-CD1 3.44Å; N228-I290 HydrophobicContact CB-CD1 4.48Å; N228-I290 HydrophobicContact CB-CG1 3.83Å; I247-I290 HydrophobicContact CD1-CD1 3.87Å; I290-T292 HydrophobicContact CG2-CG2 4.44Å; I290-T292 PolarHBondContact O-N 3Å; I290-L295 HydrophobicContact CG2-CD1 3.47Å; I290-L295 VanDerWaalsContact CG2-CD1 3.47Å; I290-L295 HydrophobicContact CG2-CG 4.27Å | ||
| 291 | F | 86.6 | Confident | 84.1 | Confident | 127 Ų | 127 | 99.8 Ų | 99.8 | 56% | 0.557 | 51% | 0.505 | S | S | * | . | trans | -88.8 | 92.8 | 172.7 | -64.4 | -85.8 | 0 | 0 | 0 | 109.7 | E293 K294 L295 | F291-E293 PolarHBondContact O-N 2.63Å; F291-E293 VanDerWaalsContact O-N 3.07Å; F291-K294 HydrophobicContact CB-CB 4.48Å; F291-K294 HydrophobicContact CB-CD 3.93Å; F291-K294 HydrophobicContact CB-CG 3.92Å; F291-K294 WeakPolarHBondContact O-CB 3.34Å; F291-K294 PolarHBondContact O-N 3.47Å; F291-L295 PolarHBondContact O-N 2.58Å | ||
| 292 | T | 82.6 | Confident | 82.8 | Confident | 54 Ų | 54 | 106.2 Ų | 106.2 | 33% | 0.331 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.3 | -23.5 | -176.1 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | P226 V251 I290 K294 L295 K296 | P226-T292 HydrophobicContact CG-CG2 4.15Å; V251-T292 HydrophobicContact CG1-CG2 3.89Å; I290-T292 HydrophobicContact CG2-CG2 4.44Å; I290-T292 PolarHBondContact O-N 3Å; T292-K294 VanDerWaalsContact C-N 3.35Å; T292-L295 PolarHBondContact O-N 2.91Å; T292-K296 WeakPolarHBondContact O-CG 3.47Å; T292-K296 PolarHBondContact O-N 2.77Å |
| 293 | E | 84.8 | Confident | 81.4 | Confident | 145 Ų | 145 | 104.9 Ų | 104.9 | 68% | 0.678 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67 | -32.2 | 172.6 | -173.8 | 170.5 | -157.7 | 0 | 0 | 113.1 | F291 | F291-E293 PolarHBondContact O-N 2.63Å; F291-E293 VanDerWaalsContact O-N 3.07Å |
| 294 | K | 83.2 | Confident | 80.2 | Confident | 125 Ų | 125 | 105.8 Ų | 105.8 | 54% | 0.543 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.3 | -45.9 | 174.1 | -60 | -175.9 | -175.6 | 177 | 0 | 110.7 | F291 T292 K296 Q297 D298 | F291-K294 HydrophobicContact CB-CB 4.48Å; F291-K294 HydrophobicContact CB-CD 3.93Å; F291-K294 HydrophobicContact CB-CG 3.92Å; F291-K294 WeakPolarHBondContact O-CB 3.34Å; F291-K294 PolarHBondContact O-N 3.47Å; T292-K294 VanDerWaalsContact C-N 3.35Å; K294-K296 PolarHBondContact O-N 2.87Å; K294-K296 VanDerWaalsContact O-N 3.1Å; K294-Q297 WeakPolarHBondContact O-CA 3.05Å; K294-Q297 WeakPolarHBondContact O-CB 3.29Å; K294-Q297 PolarHBondContact O-N 2.73Å; K294-D298 PolarHBondContact O-N 3.37Å |
| 295 | L | 81.3 | Confident | 79.3 | Confident | 105 Ų | 105 | 103.7 Ų | 103.7 | 55% | 0.55 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.2 | -23.9 | 176.7 | -62.2 | -178.1 | 0 | 0 | 0 | 113.6 | I290 F291 T292 Q297 | I290-L295 HydrophobicContact CG2-CD1 3.47Å; I290-L295 VanDerWaalsContact CG2-CD1 3.47Å; I290-L295 HydrophobicContact CG2-CG 4.27Å; F291-L295 PolarHBondContact O-N 2.58Å; T292-L295 PolarHBondContact O-N 2.91Å; L295-Q297 VanDerWaalsContact C-N 3.34Å |
| 296 | K | 80.8 | Confident | 78.4 | Confident | 175 Ų | 175 | 104.3 Ų | 104.3 | 76% | 0.761 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -18.9 | 173.2 | -73.2 | 173.8 | -179 | 179.2 | 0 | 113.9 | T292 K294 | T292-K296 WeakPolarHBondContact O-CG 3.47Å; T292-K296 PolarHBondContact O-N 2.77Å; K294-K296 PolarHBondContact O-N 2.87Å; K294-K296 VanDerWaalsContact O-N 3.1Å |
| 297 | Q | 80.4 | Confident | 77.5 | Confident | 148 Ų | 148 | 106.3 Ų | 106.3 | 69% | 0.692 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -33.7 | 174.9 | -59.1 | 176.9 | 14.4 | 0 | 0 | 110.6 | K294 L295 K299 | K294-Q297 WeakPolarHBondContact O-CA 3.05Å; K294-Q297 WeakPolarHBondContact O-CB 3.29Å; K294-Q297 PolarHBondContact O-N 2.73Å; L295-Q297 VanDerWaalsContact C-N 3.34Å; Q297-K299 PolarHBondContact O-N 2.77Å |
| 298 | D | 76 | Confident | 76.5 | Confident | 116 Ų | 116 | 112 Ų | 112 | 62% | 0.62 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -69.6 | 97 | 173.5 | -64.2 | -36.7 | 0 | 0 | 0 | 110.3 | K294 G300 | K294-D298 PolarHBondContact O-N 3.37Å; D298-G300 PolarHBondContact O-N 3.06Å |
| 299 | K | 68.9 | Low | 75.4 | Confident | 208 Ų | 208 | 111.7 Ų | 111.7 | 90% | 0.904 | 57% | 0.568 | S | S | * | * | trans | -84.4 | 84.7 | -171.5 | -156.7 | 164.1 | -177.7 | 177.4 | 0 | 110.4 | Q297 | Q297-K299 PolarHBondContact O-N 2.77Š| ||
| 300 | G | 66.6 | Low | 74.4 | Confident | 73 Ų | 73 | 115.5 Ų | 115.5 | 75% | 0.753 | 59% | 0.589 | S | S | * | * | trans | -60.1 | 152.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D298 | D298-G300 PolarHBondContact O-N 3.06Š| ||
| 301 | S | 67.6 | Low | 73.5 | Confident | 65 Ų | 65 | 114.3 Ų | 114.3 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | trans | -102.2 | 116.1 | 171.6 | 176 | 0 | 0 | 0 | 0 | 108.5 | A303 | S301-A303 PolarHBondContact O-N 2.68Š| ||
| 302 | D | 65.1 | Low | 72.8 | Confident | 161 Ų | 161 | 110.6 Ų | 110.6 | 86% | 0.861 | 57% | 0.572 | S | S | * | * | trans | -81.4 | 6 | 175.6 | 64 | -25.2 | 0 | 0 | 0 | 113.1 | S304 | D302-S304 VanDerWaalsContact C-N 3.33Å; D302-S304 PolarHBondContact O-N 2.8Å | ||
| 303 | A | 61.6 | Low | 72.1 | Confident | 50 Ų | 50 | 112.5 Ų | 112.5 | 41% | 0.413 | 59% | 0.586 | S | S | . | * | trans | -74.2 | 78 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S301 W305 P311 | S301-A303 PolarHBondContact O-N 2.68Å; A303-W305 PolarHBondContact O-N 3.32Å; A303-P311 WeakPolarHBondContact O-CD 3.42Å | ||
| 304 | S | 64.9 | Low | 71 | Confident | 78 Ų | 78 | 112.9 Ų | 112.9 | 55% | 0.545 | 59% | 0.587 | S | S | . | * | trans | -51.2 | 118.6 | 162.4 | -72.3 | 0 | 0 | 0 | 0 | 110.3 | D302 D308 | D302-S304 VanDerWaalsContact C-N 3.33Å; D302-S304 PolarHBondContact O-N 2.8Å; S304-D308 WeakPolarHBondContact CB-OD1 3.1Å; S304-D308 PolarHBondContact OG-OD1 3.28Å | ||
| 305 | W | 69.3 | Low | 70.1 | Confident | 142 Ų | 142 | 109.3 Ų | 109.3 | 54% | 0.538 | 58% | 0.581 | S | S | . | * | trans | -84.3 | -155 | 169.9 | -153.7 | 44.7 | 0 | 0 | 0 | 109.5 | A303 N307 D308 Q309 P311 P312 | A303-W305 PolarHBondContact O-N 3.32Å; W305-N307 PolarHBondContact O-N 3Å; W305-D308 PolarHBondContact O-N 3.18Å; W305-Q309 WeakPolarHBondContact CA-O 3.2Å; W305-Q309 WeakPolarHBondContact CB-O 2.99Å; W305-Q309 PolarHBondContact N-O 2.69Å; W305-P311 HydrophobicContact CB-CB 4.2Å; W305-P311 HydrophobicContact CD2-CB 4.1Å; W305-P311 HydrophobicContact CG-CB 3.85Å; W305-P312 HydrophobicContact CH2-CG 3.66Å; W305-P312 HydrophobicContact CZ2-CG 4.21Å; W305-P312 HydrophobicContact CZ3-CG 3.92Å | ||
| 306 | K | 70.6 | Confident | 69.5 | Low | 162 Ų | 162 | 107.7 Ų | 107.7 | 70% | 0.704 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -67.5 | 124.4 | 173.5 | -176.5 | 163 | 61.2 | -178.2 | 0 | 109.8 | ||
| 307 | N | 70.9 | Confident | 68.6 | Low | 85 Ų | 85 | 107.1 Ų | 107.1 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | 66.4 | 38.1 | -178.3 | -51.4 | -6.1 | 0 | 0 | 0 | 114 | T177 W305 Q309 | T177-N307 HydrophobicContact CG2-CB 3.88Å; W305-N307 PolarHBondContact O-N 3Å; N307-Q309 PolarHBondContact O-N 2.86Å |
| 308 | D | 72.4 | Confident | 67.8 | Low | 128 Ų | 128 | 103.2 Ų | 103.2 | 68% | 0.684 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | 56.2 | 10.6 | 177.5 | -63.1 | -56.8 | 0 | 0 | 0 | 116.1 | S304 W305 | S304-D308 WeakPolarHBondContact CB-OD1 3.1Å; S304-D308 PolarHBondContact OG-OD1 3.28Å; W305-D308 PolarHBondContact O-N 3.18Å |
| 309 | Q | 69.9 | Low | 67.1 | Low | 87 Ų | 87 | 104.2 Ų | 104.2 | 41% | 0.407 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -72.7 | 148.6 | 169.1 | -68.9 | -64.3 | -30.7 | 0 | 0 | 110.4 | W305 N307 | W305-Q309 WeakPolarHBondContact CA-O 3.2Å; W305-Q309 WeakPolarHBondContact CB-O 2.99Å; W305-Q309 PolarHBondContact N-O 2.69Å; N307-Q309 PolarHBondContact O-N 2.86Å |
| 310 | E | 70.2 | Confident | 67.2 | Low | 150 Ų | 150 | 98 Ų | 98 | 70% | 0.701 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 141.8 | 171.5 | -71.1 | -166.2 | 157.8 | 0 | 0 | 110.7 | ||
| 311 | P | 70.6 | Confident | 67.1 | Low | 16 Ų | 16 | 100.9 Ų | 100.9 | 10% | 0.104 | 55% | 0.55 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 136.9 | 173.4 | 26.3 | -32.7 | 0 | 0 | 0 | 109.8 | A303 W305 L316 | A303-P311 WeakPolarHBondContact O-CD 3.42Å; W305-P311 HydrophobicContact CB-CB 4.2Å; W305-P311 HydrophobicContact CD2-CB 4.1Å; W305-P311 HydrophobicContact CG-CB 3.85Å; P311-L316 HydrophobicContact CG-CD2 3.98Å; P311-L316 HydrophobicContact CG-CG 4.43Å |
| 312 | P | 71.4 | Confident | 67.5 | Low | 49 Ų | 49 | 105 Ų | 105 | 32% | 0.318 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 152.4 | -178.6 | 24.3 | -34.7 | 0 | 0 | 0 | 110.3 | W305 E314 A315 L316 | W305-P312 HydrophobicContact CH2-CG 3.66Å; W305-P312 HydrophobicContact CZ2-CG 4.21Å; W305-P312 HydrophobicContact CZ3-CG 3.92Å; P312-E314 PolarHBondContact O-N 3.14Å; P312-A315 HydrophobicContact CG-CB 4.32Å; P312-A315 PolarHBondContact O-N 3.18Å; P312-L316 PolarHBondContact O-N 3.05Å |
| 313 | P | 68 | Low | 67.9 | Low | 95 Ų | 95 | 103.2 Ų | 103.2 | 62% | 0.617 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -6.3 | -178.9 | 27.6 | -37 | 0 | 0 | 0 | 113.7 | K331 | P313-K331 WeakPolarHBondContact O-CE 3.47Å; P313-K331 PolarHBondContact O-NZ 3.43Å; P313-K331 VanDerWaalsContact O-NZ 3.11Å |
| 314 | E | 61.3 | Low | 68.6 | Low | 152 Ų | 152 | 104.1 Ų | 104.1 | 71% | 0.71 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -34 | 169.4 | -60.3 | -140.1 | 143.4 | 0 | 0 | 113.7 | P312 K331 | P312-E314 PolarHBondContact O-N 3.14Å; E314-K331 VanDerWaalsContact CA-NZ 3.31Å; E314-K331 PolarHBondContact O-NZ 3.42Å |
| 315 | A | 63.7 | Low | 68.8 | Low | 50 Ų | 50 | 107.5 Ų | 107.5 | 41% | 0.413 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 4.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P312 D317 | P312-A315 HydrophobicContact CG-CB 4.32Å; P312-A315 PolarHBondContact O-N 3.18Å; A315-D317 PolarHBondContact O-N 3.26Å |
| 316 | L | 69.1 | Low | 69.1 | Low | 72 Ų | 72 | 106.9 Ų | 106.9 | 38% | 0.377 | 55% | 0.55 | S | S | . | * | trans | -62.5 | 112.6 | 164.3 | -87.8 | 172.8 | 0 | 0 | 0 | 109.7 | P311 P312 F318 | P311-L316 HydrophobicContact CG-CD2 3.98Å; P311-L316 HydrophobicContact CG-CG 4.43Å; P312-L316 PolarHBondContact O-N 3.05Å; L316-F318 VanDerWaalsContact O-CD2 3.31Å; L316-F318 WeakPolarHBondContact O-CD2 3.25Å; L316-F318 VanDerWaalsContact O-CE2 3.25Å; L316-F318 WeakPolarHBondContact O-CE2 3.31Å | ||
| 317 | D | 61.6 | Low | 69.1 | Low | 162 Ų | 162 | 100.1 Ų | 100.1 | 87% | 0.866 | 53% | 0.525 | S | S | * | . | trans | -74.3 | 129.5 | 170.5 | -79.7 | -31.8 | 0 | 0 | 0 | 110 | A315 | A315-D317 PolarHBondContact O-N 3.26Š| ||
| 318 | F | 65.2 | Low | 69 | Low | 66 Ų | 66 | 101.3 Ų | 101.3 | 29% | 0.289 | 53% | 0.526 | S | S | . | . | trans | -93.3 | 117.5 | 179.5 | -64.3 | -91.8 | 0 | 0 | 0 | 109.1 | L316 D320 K323 E324 A327 | L316-F318 VanDerWaalsContact O-CD2 3.31Å; L316-F318 WeakPolarHBondContact O-CD2 3.25Å; L316-F318 VanDerWaalsContact O-CE2 3.25Å; L316-F318 WeakPolarHBondContact O-CE2 3.31Å; F318-D320 PolarHBondContact O-N 3.23Å; F318-K323 HydrophobicContact CD1-CB 3.96Å; F318-K323 HydrophobicContact CD1-CD 4.04Å; F318-K323 HydrophobicContact CD1-CG 3.74Å; F318-K323 HydrophobicContact CE1-CD 4.38Å; F318-K323 HydrophobicContact CE1-CG 4.03Å; F318-E324 HydrophobicContact CB-CB 3.83Å; F318-E324 HydrophobicContact CB-CG 4.23Å; F318-E324 HydrophobicContact CD2-CB 4.34Å; F318-E324 HydrophobicContact CD2-CG 4.19Å; F318-E324 HydrophobicContact CG-CB 4.28Å; F318-A327 HydrophobicContact CD2-CB 4.38Å; F318-A327 HydrophobicContact CE1-CB 4.14Å; F318-A327 HydrophobicContact CE2-CB 3.55Å; F318-A327 HydrophobicContact CZ-CB 3.41Å; F318-A327 VanDerWaalsContact CZ-CB 3.41Å | ||
| 319 | S | 60.6 | Low | 69 | Low | 138 Ų | 138 | 101.4 Ų | 101.4 | 97% | 0.965 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -70.4 | 6.7 | 173.7 | -175.4 | 0 | 0 | 0 | 0 | 114 | ||
| 320 | D | 70.9 | Confident | 69.1 | Low | 78 Ų | 78 | 106 Ų | 106 | 42% | 0.417 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -138.7 | 117.7 | -172.4 | 175.5 | 1.5 | 0 | 0 | 0 | 108 | F318 E322 K323 E324 | F318-D320 PolarHBondContact O-N 3.23Å; D320-E322 VanDerWaalsContact C-N 3.28Å; D320-E322 PolarHBondContact O-N 3.06Å; D320-E322 PolarHBondContact OD1-N 2.79Å; D320-K323 HydrophobicContact CB-CB 4.22Å; D320-K323 PolarHBondContact O-N 3.18Å; D320-E324 PolarHBondContact O-N 3.39Å |
| 321 | D | 65.2 | Low | 69.1 | Low | 132 Ų | 132 | 101.7 Ų | 101.7 | 71% | 0.706 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -71.5 | -22.4 | -170.9 | 65.2 | -54.7 | 0 | 0 | 0 | 113 | K325 | D321-K325 PolarHBondContact O-N 3.37Å |
| 322 | E | 74.8 | Confident | 69.3 | Low | 153 Ų | 153 | 107.5 Ų | 107.5 | 72% | 0.715 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.4 | -48.1 | 171.2 | -176.6 | 163.8 | -152.2 | 0 | 0 | 110.8 | D320 E324 K325 E326 | D320-E322 VanDerWaalsContact C-N 3.28Å; D320-E322 PolarHBondContact O-N 3.06Å; D320-E322 PolarHBondContact OD1-N 2.79Å; E322-E324 PolarHBondContact O-N 3.11Å; E322-K325 WeakPolarHBondContact O-CB 3.42Å; E322-K325 PolarHBondContact O-N 3.45Å; E322-E326 PolarHBondContact O-N 2.81Å; E322-E326 VanDerWaalsContact O-N 3.15Å |
| 323 | K | 74.6 | Confident | 69.3 | Low | 122 Ų | 122 | 108.3 Ų | 108.3 | 53% | 0.53 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.9 | -35.1 | -177.9 | -154.6 | 172.3 | -174.7 | 179.3 | 0 | 112.3 | F318 D320 K325 E326 A327 | F318-K323 HydrophobicContact CD1-CB 3.96Å; F318-K323 HydrophobicContact CD1-CD 4.04Å; F318-K323 HydrophobicContact CD1-CG 3.74Å; F318-K323 HydrophobicContact CE1-CD 4.38Å; F318-K323 HydrophobicContact CE1-CG 4.03Å; D320-K323 HydrophobicContact CB-CB 4.22Å; D320-K323 PolarHBondContact O-N 3.18Å; K323-K325 VanDerWaalsContact C-N 3.32Å; K323-K325 PolarHBondContact O-N 3.49Å; K323-E326 PolarHBondContact O-N 2.82Å; K323-A327 WeakPolarHBondContact O-CB 3.33Å; K323-A327 PolarHBondContact O-N 3.03Å |
| 324 | E | 75 | Confident | 69.3 | Low | 69 Ų | 69 | 109.7 Ų | 109.7 | 32% | 0.322 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.3 | -44.2 | 172.4 | -160.2 | -151.9 | 149 | 0 | 0 | 111.8 | F318 D320 E322 A327 K328 | F318-E324 HydrophobicContact CB-CB 3.83Å; F318-E324 HydrophobicContact CB-CG 4.23Å; F318-E324 HydrophobicContact CD2-CB 4.34Å; F318-E324 HydrophobicContact CD2-CG 4.19Å; F318-E324 HydrophobicContact CG-CB 4.28Å; D320-E324 PolarHBondContact O-N 3.39Å; E322-E324 PolarHBondContact O-N 3.11Å; E324-A327 PolarHBondContact O-N 2.94Å; E324-K328 HydrophobicContact CG-CD 4.45Å; E324-K328 WeakPolarHBondContact O-CB 3.5Å; E324-K328 WeakPolarHBondContact O-CG 3.47Å; E324-K328 PolarHBondContact O-N 3.23Å; E324-K328 WeakPolarHBondContact OE1-CE 3.47Å; E324-K328 IonicContact OE1-NZ 2.71Å; E324-K328 PolarHBondContact OE1-NZ 2.56Å |
| 325 | K | 70.3 | Confident | 69.7 | Low | 150 Ų | 150 | 107.1 Ų | 107.1 | 65% | 0.652 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68 | -41.6 | -178.8 | -174.5 | -178.6 | 176.4 | -173.1 | 0 | 111.7 | D321 E322 K323 K328 Q329 | D321-K325 PolarHBondContact O-N 3.37Å; E322-K325 WeakPolarHBondContact O-CB 3.42Å; E322-K325 PolarHBondContact O-N 3.45Å; K323-K325 VanDerWaalsContact C-N 3.32Å; K323-K325 PolarHBondContact O-N 3.49Å; K325-K328 PolarHBondContact O-N 3.15Å; K325-Q329 WeakPolarHBondContact O-CB 3.39Å; K325-Q329 PolarHBondContact O-N 3.48Å |
| 326 | E | 74.4 | Confident | 69.7 | Low | 128 Ų | 128 | 111.2 Ų | 111.2 | 60% | 0.598 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.6 | -47.6 | 174.9 | -166.5 | -169.5 | 178 | 0 | 0 | 111.2 | E322 K323 K328 Q329 R330 | E322-E326 PolarHBondContact O-N 2.81Å; E322-E326 VanDerWaalsContact O-N 3.15Å; K323-E326 PolarHBondContact O-N 2.82Å; E326-K328 PolarHBondContact O-N 3.27Å; E326-Q329 CarbonylContact O-C 3.6Å; E326-Q329 WeakPolarHBondContact O-CB 3.5Å; E326-Q329 PolarHBondContact O-N 2.99Å; E326-R330 WeakPolarHBondContact O-CB 3.11Å; E326-R330 PolarHBondContact O-N 3.06Å |
| 327 | A | 70.9 | Confident | 69.3 | Low | 21 Ų | 21 | 109.3 Ų | 109.3 | 17% | 0.174 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | F318 K323 E324 Q329 R330 K331 | F318-A327 HydrophobicContact CD2-CB 4.38Å; F318-A327 HydrophobicContact CE1-CB 4.14Å; F318-A327 HydrophobicContact CE2-CB 3.55Å; F318-A327 HydrophobicContact CZ-CB 3.41Å; F318-A327 VanDerWaalsContact CZ-CB 3.41Å; K323-A327 WeakPolarHBondContact O-CB 3.33Å; K323-A327 PolarHBondContact O-N 3.03Å; E324-A327 PolarHBondContact O-N 2.94Å; A327-Q329 VanDerWaalsContact C-N 3.32Å; A327-Q329 PolarHBondContact O-N 2.88Å; A327-R330 PolarHBondContact O-N 3.43Å; A327-K331 WeakPolarHBondContact O-CG 3.33Å; A327-K331 PolarHBondContact O-N 3.26Å |
| 328 | K | 70.2 | Confident | 69.2 | Low | 109 Ų | 109 | 110.6 Ų | 110.6 | 47% | 0.474 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.7 | -33.7 | 173.4 | -78.4 | 178.5 | 172.2 | 177.6 | 0 | 112.5 | E324 K325 E326 K332 | E324-K328 HydrophobicContact CG-CD 4.45Å; E324-K328 WeakPolarHBondContact O-CB 3.5Å; E324-K328 WeakPolarHBondContact O-CG 3.47Å; E324-K328 PolarHBondContact O-N 3.23Å; E324-K328 WeakPolarHBondContact OE1-CE 3.47Å; E324-K328 IonicContact OE1-NZ 2.71Å; E324-K328 PolarHBondContact OE1-NZ 2.56Å; K325-K328 PolarHBondContact O-N 3.15Å; E326-K328 PolarHBondContact O-N 3.27Å; K328-K332 WeakPolarHBondContact O-CD 3.4Å; K328-K332 WeakPolarHBondContact O-CG 3.19Å; K328-K332 PolarHBondContact O-N 3.02Å |
| 329 | Q | 71.4 | Confident | 68.9 | Low | 130 Ų | 130 | 114.8 Ų | 114.8 | 61% | 0.607 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -71.8 | -41.3 | 175.6 | -176.6 | 170.5 | -14 | 0 | 0 | 112.1 | K325 E326 A327 K332 S333 | K325-Q329 WeakPolarHBondContact O-CB 3.39Å; K325-Q329 PolarHBondContact O-N 3.48Å; E326-Q329 CarbonylContact O-C 3.6Å; E326-Q329 WeakPolarHBondContact O-CB 3.5Å; E326-Q329 PolarHBondContact O-N 2.99Å; A327-Q329 VanDerWaalsContact C-N 3.32Å; A327-Q329 PolarHBondContact O-N 2.88Å; Q329-K332 WeakPolarHBondContact O-CB 3.47Å; Q329-K332 PolarHBondContact O-N 2.95Å; Q329-S333 PolarHBondContact O-N 3.45Å; Q329-S333 PolarHBondContact O-OG 3.44Å |
| 330 | R | 72.6 | Confident | 68.8 | Low | 184 Ų | 184 | 115.6 Ų | 115.6 | 69% | 0.694 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.5 | -41.8 | 177.8 | -169 | 172.9 | 178.6 | 176.4 | -2.3 | 112.5 | E326 A327 K332 S333 Q334 | E326-R330 WeakPolarHBondContact O-CB 3.11Å; E326-R330 PolarHBondContact O-N 3.06Å; A327-R330 PolarHBondContact O-N 3.43Å; R330-K332 PolarHBondContact O-N 3.06Å; R330-S333 PolarHBondContact O-N 3.24Å; R330-S333 PolarHBondContact O-OG 3.41Å; R330-S333 VanDerWaalsContact O-OG 3.07Å; R330-Q334 WeakPolarHBondContact O-CB 3.49Å; R330-Q334 PolarHBondContact O-N 3.38Å |
| 331 | K | 69.8 | Low | 68 | Low | 60 Ų | 60 | 118.1 Ų | 118.1 | 26% | 0.261 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -57.3 | -47.1 | 170.2 | -72.1 | 171.9 | -177.3 | 165.5 | 0 | 111 | P313 E314 A327 Q334 I335 | P313-K331 WeakPolarHBondContact O-CE 3.47Å; P313-K331 PolarHBondContact O-NZ 3.43Å; P313-K331 VanDerWaalsContact O-NZ 3.11Å; E314-K331 VanDerWaalsContact CA-NZ 3.31Å; E314-K331 PolarHBondContact O-NZ 3.42Å; A327-K331 WeakPolarHBondContact O-CG 3.33Å; A327-K331 PolarHBondContact O-N 3.26Å; K331-Q334 PolarHBondContact O-N 3Å; K331-I335 WeakPolarHBondContact O-CD1 3.43Å; K331-I335 VanDerWaalsContact O-CG1 3.29Å; K331-I335 WeakPolarHBondContact O-CG1 3.29Å; K331-I335 PolarHBondContact O-N 2.83Å; K331-I335 VanDerWaalsContact O-N 3.16Å |
| 332 | K | 73.6 | Confident | 67.3 | Low | 137 Ų | 137 | 120.5 Ų | 120.5 | 60% | 0.596 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.9 | -44 | 178.7 | -74.2 | 167.4 | -174.5 | 176.1 | 0 | 113.2 | K328 Q329 R330 Q336 | K328-K332 WeakPolarHBondContact O-CD 3.4Å; K328-K332 WeakPolarHBondContact O-CG 3.19Å; K328-K332 PolarHBondContact O-N 3.02Å; Q329-K332 WeakPolarHBondContact O-CB 3.47Å; Q329-K332 PolarHBondContact O-N 2.95Å; R330-K332 PolarHBondContact O-N 3.06Å; K332-Q336 WeakPolarHBondContact O-CG 3.43Å; K332-Q336 PolarHBondContact O-N 3.07Å |
| 333 | S | 72.2 | Confident | 66.2 | Low | 67 Ų | 67 | 117.8 Ų | 117.8 | 47% | 0.469 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.5 | -37.9 | -180 | 62.6 | 0 | 0 | 0 | 0 | 112.4 | Q329 R330 I335 Q336 G337 | Q329-S333 PolarHBondContact O-N 3.45Å; Q329-S333 PolarHBondContact O-OG 3.44Å; R330-S333 PolarHBondContact O-N 3.24Å; R330-S333 PolarHBondContact O-OG 3.41Å; R330-S333 VanDerWaalsContact O-OG 3.07Å; S333-I335 PolarHBondContact O-N 3.48Å; S333-Q336 PolarHBondContact O-N 3.43Å; S333-G337 PolarHBondContact O-N 3.48Å |
| 334 | Q | 68.3 | Low | 65.1 | Low | 123 Ų | 123 | 120 Ų | 120 | 58% | 0.575 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.7 | -40.8 | 176.6 | -165.6 | 177.9 | 20.6 | 0 | 0 | 112.3 | R330 K331 Q336 G337 R338 | R330-Q334 WeakPolarHBondContact O-CB 3.49Å; R330-Q334 PolarHBondContact O-N 3.38Å; K331-Q334 PolarHBondContact O-N 3Å; Q334-Q336 VanDerWaalsContact C-N 3.34Å; Q334-Q336 PolarHBondContact O-N 3.27Å; Q334-G337 PolarHBondContact O-N 3.16Å; Q334-R338 WeakPolarHBondContact O-CG 3.5Å; Q334-R338 PolarHBondContact O-N 3.46Å |
| 335 | I | 68.4 | Low | 63.5 | Low | 99 Ų | 99 | 125.5 Ų | 125.5 | 51% | 0.508 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.5 | -39.1 | 174.8 | -66.2 | 163.6 | 0 | 0 | 0 | 111.2 | K331 S333 K339 | K331-I335 WeakPolarHBondContact O-CD1 3.43Å; K331-I335 VanDerWaalsContact O-CG1 3.29Å; K331-I335 WeakPolarHBondContact O-CG1 3.29Å; K331-I335 PolarHBondContact O-N 2.83Å; K331-I335 VanDerWaalsContact O-N 3.16Å; S333-I335 PolarHBondContact O-N 3.48Å; I335-K339 WeakPolarHBondContact O-CG 3.42Å; I335-K339 PolarHBondContact O-N 3.2Å |
| 336 | Q | 64.5 | Low | 62.3 | Low | 135 Ų | 135 | 125.6 Ų | 125.6 | 63% | 0.631 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.5 | -38.4 | 175.9 | -70.4 | 179.8 | 7.4 | 0 | 0 | 112.5 | K332 S333 Q334 K339 K340 | K332-Q336 WeakPolarHBondContact O-CG 3.43Å; K332-Q336 PolarHBondContact O-N 3.07Å; S333-Q336 PolarHBondContact O-N 3.43Å; Q334-Q336 VanDerWaalsContact C-N 3.34Å; Q334-Q336 PolarHBondContact O-N 3.27Å; Q336-K339 PolarHBondContact O-N 2.89Å; Q336-K340 PolarHBondContact O-N 3.23Å |
| 337 | G | 60.2 | Low | 60.8 | Low | 32 Ų | 32 | 128.3 Ų | 128.3 | 33% | 0.33 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -60.2 | -49.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S333 Q334 K339 K340 L341 | S333-G337 PolarHBondContact O-N 3.48Å; Q334-G337 PolarHBondContact O-N 3.16Å; G337-K339 PolarHBondContact O-N 3.03Å; G337-K340 PolarHBondContact O-N 3.49Å; G337-K340 VanDerWaalsContact O-N 3.1Å; G337-L341 WeakPolarHBondContact O-CG 3.46Å; G337-L341 PolarHBondContact O-N 3.36Å |
| 338 | R | 59.7 | Low | 59.9 | Low | 189 Ų | 189 | 132.8 Ų | 132.8 | 71% | 0.713 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -61 | -27.5 | 178.4 | -68.8 | -179.6 | 76.5 | 141.5 | 2.7 | 113.4 | Q334 | Q334-R338 WeakPolarHBondContact O-CG 3.5Å; Q334-R338 PolarHBondContact O-N 3.46Å |
| 339 | K | 59.9 | Low | 58.2 | Low | 154 Ų | 154 | 131.2 Ų | 131.2 | 67% | 0.67 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.8 | -36.1 | 174.7 | -74.1 | -177.3 | 178.1 | -173.3 | 0 | 113.3 | I335 Q336 G337 K342 | I335-K339 WeakPolarHBondContact O-CG 3.42Å; I335-K339 PolarHBondContact O-N 3.2Å; Q336-K339 PolarHBondContact O-N 2.89Å; G337-K339 PolarHBondContact O-N 3.03Å; K339-K342 PolarHBondContact O-N 3.33Å |
| 340 | K | 57.8 | Low | 56.7 | Low | 155 Ų | 155 | 134.4 Ų | 134.4 | 67% | 0.674 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -69.8 | -39.6 | 176 | -72.3 | -173.9 | 173.3 | -173.3 | 0 | 112.6 | Q336 G337 K342 S343 | Q336-K340 PolarHBondContact O-N 3.23Å; G337-K340 PolarHBondContact O-N 3.49Å; G337-K340 VanDerWaalsContact O-N 3.1Å; K340-K342 PolarHBondContact O-N 3.31Å; K340-S343 PolarHBondContact O-N 3.32Å; K340-S343 PolarHBondContact O-OG 3.2Å |
| 341 | L | 53.6 | Low | 55.1 | Low | 132 Ų | 132 | 131.9 Ų | 131.9 | 69% | 0.691 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -66.5 | -21.7 | 178.4 | -61.9 | 170.8 | 0 | 0 | 0 | 113.1 | G337 | G337-L341 WeakPolarHBondContact O-CG 3.46Å; G337-L341 PolarHBondContact O-N 3.36Å |
| 342 | K | 50.2 | Low | 53.4 | Low | 181 Ų | 181 | 138.2 Ų | 138.2 | 79% | 0.787 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -15.4 | 177.6 | -165.7 | 59.7 | 174.4 | 177 | 0 | 113.3 | K339 K340 | K339-K342 PolarHBondContact O-N 3.33Å; K340-K342 PolarHBondContact O-N 3.31Å |
| 343 | S | 52.7 | Low | 51.8 | Low | 96 Ų | 96 | 135.4 Ų | 135.4 | 67% | 0.671 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -92.9 | -4.2 | 179.1 | 47.9 | 0 | 0 | 0 | 0 | 114.9 | K340 | K340-S343 PolarHBondContact O-N 3.32Å; K340-S343 PolarHBondContact O-OG 3.2Å |
| 344 | E | 50.5 | Low | 50.4 | Low | 168 Ų | 168 | 141 Ų | 141 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -105.1 | -1.8 | -171.5 | -149.6 | 168.3 | 126.8 | 0 | 0 | 114 | ||
| 345 | F | 42 | Very low | 49 | Very low | 185 Ų | 185 | 140 Ų | 140 | 81% | 0.811 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -102.2 | 3.9 | -175.3 | -170.4 | -104.3 | 0 | 0 | 0 | 115.3 | ||
| 346 | N | 45.8 | Very low | 47.6 | Very low | 152 Ų | 152 | 143.2 Ų | 143.2 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | trans | -110.9 | 90.7 | 176 | -79.6 | -18.6 | 0 | 0 | 0 | 110.6 | ||||
| 347 | E | 42.5 | Very low | 46.6 | Very low | 185 Ų | 185 | 144.4 Ų | 144.4 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | trans | -83.1 | 155.1 | 155.2 | -98.9 | -134.2 | 92.6 | 0 | 0 | 110.6 | ||||
| 348 | P | 51.7 | Low | 45.4 | Very low | 116 Ų | 116 | 149.1 Ų | 149.1 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | trans | -93.7 | 136 | -161.2 | 35.2 | -32.5 | 0 | 0 | 0 | 113.9 | ||||
| 349 | G | 34.3 | Very low | 43.9 | Very low | 76 Ų | 76 | 149.9 Ų | 149.9 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | trans | -122.9 | 151.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 350 | E | 41.2 | Very low | 42.8 | Very low | 196 Ų | 196 | 150.4 Ų | 150.4 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | trans | -94.9 | 159.9 | -152.8 | -58.5 | 172.8 | 144.7 | 0 | 0 | 115.6 | ||||
| 351 | D | 38.3 | Very low | 41.8 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 71.6 | 97.5 | 155.6 | -156.1 | 30.5 | 0 | 0 | 0 | 121 | ||||
| 352 | F | 33.5 | Very low | 40.7 | Very low | 193 Ų | 193 | 147.6 Ų | 147.6 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | -163.1 | 158.5 | 105.3 | -125.3 | -104 | 0 | 0 | 0 | 111.7 | |||||
| 353 | A | 40.8 | Very low | 39.8 | Very low | 78 Ų | 78 | 143.7 Ų | 143.7 | 65% | 0.645 | 76% | 0.757 | S | S | * | * | trans | -96.3 | 168.8 | -161.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 354 | E | 42.3 | Very low | 39.1 | Very low | 183 Ų | 183 | 145.6 Ų | 145.6 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | trans | 72.3 | 137.9 | 167.4 | -61.9 | -159.7 | 98.3 | 0 | 0 | 117.3 | ||||
| 355 | V | 39 | Very low | 38.2 | Very low | 104 Ų | 104 | 143.3 Ų | 143.3 | 63% | 0.63 | 77% | 0.767 | S | S | * | * | cis | -157.6 | 165.6 | 3.5 | 109.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 356 | H | 39.1 | Very low | 37.8 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | 83.6 | 81.1 | 176.2 | -64.9 | 159.6 | 0 | 0 | 0 | 119.7 | ||||
| 357 | Q | 44.2 | Very low | 37 | Very low | 161 Ų | 161 | 143 Ų | 143 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | 25.2 | 136.7 | 101.4 | -51.3 | -68.7 | -8.2 | 0 | 0 | 116.2 | |||||
| 358 | N | 33.9 | Very low | 36.5 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | -169.3 | 123.3 | 53.6 | -175.9 | -67 | 0 | 0 | 0 | 112.2 | |||||
| 359 | W | 29.9 | Very low | 35.8 | Very low | 204 Ų | 204 | 143 Ų | 143 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | 57.6 | 118.2 | 152.2 | -67.2 | 61.2 | 0 | 0 | 0 | 123.3 | ||||
| 360 | N | 36.2 | Very low | 35.6 | Very low | 166 Ų | 166 | 143 Ų | 143 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | trans | -142.5 | 162.1 | 137.1 | -157.3 | 4.2 | 0 | 0 | 0 | 109.5 | ||||
| 361 | A | 35.7 | Very low | 35.1 | Very low | 52 Ų | 52 | 144 Ų | 144 | 43% | 0.43 | 76% | 0.761 | S | S | . | * | trans | 72.7 | 138 | -173 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 362 | H | 31.3 | Very low | 35.1 | Very low | 176 Ų | 176 | 148.5 Ų | 148.5 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | cis | -132.3 | 135.3 | 42.9 | -65 | -72.3 | 0 | 0 | 0 | 112 | ||||
| 363 | S | 32 | Very low | 35.1 | Very low | 98 Ų | 98 | 146.1 Ų | 146.1 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | 62.7 | 106.7 | 82.2 | -71.4 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 364 | T | 37.7 | Very low | 34.7 | Very low | 136 Ų | 136 | 152.8 Ų | 152.8 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | trans | 61.7 | 106.1 | 140.5 | 59.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 365 | S | 30.6 | Very low | 34.5 | Very low | 121 Ų | 121 | 151.2 Ų | 151.2 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -145.7 | 110.4 | 134.9 | 54.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 366 | E | 33.1 | Very low | 34.2 | Very low | 163 Ų | 163 | 154.5 Ų | 154.5 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | 16.3 | 147.7 | 135.7 | -93.6 | -173.5 | -166.2 | 0 | 0 | 123.9 | ||||
| 367 | H | 30.6 | Very low | 34 | Very low | 167 Ų | 167 | 152.1 Ų | 152.1 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | 68.9 | 102.7 | 157.1 | -68.6 | 100.8 | 0 | 0 | 0 | 119.5 | ||||
| 368 | A | 31.9 | Very low | 33.4 | Very low | 90 Ų | 90 | 156.3 Ų | 156.3 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | 163.2 | 128.7 | 94.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 369 | K | 35.6 | Very low | 33.3 | Very low | 212 Ų | 212 | 153.2 Ų | 153.2 | 92% | 0.922 | 78% | 0.777 | S | S | * | * | trans | 33.5 | 120.3 | 138.6 | -59.3 | 172.4 | -179.2 | 173 | 0 | 120.1 | ||||
| 370 | G | 30.3 | Very low | 33.4 | Very low | 74 Ų | 74 | 152.9 Ų | 152.9 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | 153 | 107.7 | 136.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 371 | Y | 31.8 | Very low | 33.3 | Very low | 217 Ų | 217 | 151.1 Ų | 151.1 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | 13.2 | 134 | 129.9 | -85.1 | -97.4 | 0 | 0 | 0 | 117.6 | |||||
| 372 | R | 36.6 | Very low | 33.2 | Very low | 228 Ų | 228 | 160.3 Ų | 160.3 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | cis | -154.5 | 154.7 | 44.1 | -61.4 | 175.2 | -166 | -103.2 | -1.3 | 113.5 | ||||
| 373 | N | 33.9 | Very low | 33.3 | Very low | 142 Ų | 142 | 155.5 Ų | 155.5 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | -59.3 | 154.2 | 159 | -38.5 | -83 | 0 | 0 | 0 | 111.8 | ||||
| 374 | R | 33.4 | Very low | 33.2 | Very low | 218 Ų | 218 | 162.7 Ų | 162.7 | 82% | 0.823 | 82% | 0.815 | S | S | * | * | 175.5 | 136.5 | 103.1 | -137.8 | -178.5 | -170.9 | -177.1 | 1.3 | 113.5 | |||||
| 375 | E | 37 | Very low | 33.1 | Very low | 151 Ų | 151 | 166.9 Ų | 166.9 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | trans | -57.9 | 154.3 | 154.5 | -69.5 | 68.8 | -159.2 | 0 | 0 | 112 | ||||
| 376 | F | 32.9 | Very low | 34.2 | Very low | 173 Ų | 173 | 166.7 Ų | 166.7 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | 177.8 | 107.8 | 119.1 | -107.1 | -80.6 | 0 | 0 | 0 | 113.3 | |||||
| 377 | T | 35.9 | Very low | 34.3 | Very low | 114 Ų | 114 | 169.4 Ų | 169.4 | 70% | 0.699 | 82% | 0.817 | S | S | * | * | 37.4 | 146.3 | 128 | -34 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 378 | R | 31.4 | Very low | 34.2 | Very low | 250 Ų | 250 | 167.2 Ų | 167.2 | 94% | 0.943 | 82% | 0.82 | S | S | * | * | trans | 93.8 | 139.7 | 168.8 | -55.7 | -180 | -176.9 | -132.3 | 1.1 | 114.5 | ||||
| 379 | G | 30.8 | Very low | 34.1 | Very low | 66 Ų | 66 | 168 Ų | 168 | 68% | 0.68 | 82% | 0.819 | S | S | * | * | cis | 160.3 | 136.3 | -8.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 380 | F | 32.4 | Very low | 34.1 | Very low | 197 Ų | 197 | 167.3 Ų | 167.3 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | 50.9 | 128.4 | 163.3 | -71.3 | -86.5 | 0 | 0 | 0 | 121.9 | ||||
| 381 | S | 33.6 | Very low | 34 | Very low | 128 Ų | 128 | 167.6 Ų | 167.6 | 90% | 0.895 | 82% | 0.822 | S | S | * | * | -164 | 144.6 | 125.3 | -84.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 382 | R | 34.6 | Very low | 34 | Very low | 245 Ų | 245 | 168 Ų | 168 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | trans | -101.1 | 131.5 | -178.7 | -69.9 | 179.5 | 172 | -162.2 | -1.4 | 112.3 | ||||
| 383 | G | 32.6 | Very low | 35 | Very low | 75 Ų | 75 | 161.6 Ų | 161.6 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | 80 | 155.4 | 125.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 384 | R | 31 | Very low | 36.2 | Very low | 249 Ų | 249 | 159.7 Ų | 159.7 | 94% | 0.94 | 81% | 0.805 | S | S | * | * | trans | 106 | 109.7 | 161.7 | -59 | -158.5 | -157.4 | -100.6 | 8.7 | 118.8 | ||||
| 385 | Y | 36 | Very low | 37.2 | Very low | 224 Ų | 224 | 154.3 Ų | 154.3 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | trans | -76 | -177.3 | 142.9 | -68.7 | -84 | 0 | 0 | 0 | 110.1 | ||||
| 386 | P | 53 | Low | 37.2 | Very low | 117 Ų | 117 | 154.4 Ų | 154.4 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | cis | -137.3 | 176.9 | 0.3 | 41.4 | -24.6 | 0 | 0 | 0 | 116.1 | ||||
| 387 | R | 34.1 | Very low | 37.3 | Very low | 221 Ų | 221 | 152.9 Ų | 152.9 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -173.7 | 141.7 | 134.6 | -109.1 | -175.6 | -164.1 | -86.7 | 1.8 | 113.3 | ||||
| 388 | S | 30.1 | Very low | 37 | Very low | 121 Ų | 121 | 156.5 Ų | 156.5 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -136.2 | 151.3 | 158.6 | -63.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 389 | C | 29.7 | Very low | 36.9 | Very low | 106 Ų | 106 | 154.2 Ų | 154.2 | 72% | 0.716 | 79% | 0.793 | S | S | * | * | trans | -128.5 | 157.9 | -174 | -64.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 390 | H | 34.3 | Very low | 36.7 | Very low | 198 Ų | 198 | 158.8 Ų | 158.8 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -93.4 | 164.6 | -162 | -58 | -62.5 | 0 | 0 | 0 | 117 | ||||
| 391 | G | 28.7 | Very low | 36.7 | Very low | 80 Ų | 80 | 153.4 Ų | 153.4 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -139.7 | 145.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 392 | R | 32.2 | Very low | 36.4 | Very low | 224 Ų | 224 | 156.1 Ų | 156.1 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | -153.2 | -173.4 | -170.4 | -132.5 | -167.9 | 172.3 | -109 | 1.9 | 107.5 | ||||
| 393 | P | 57.3 | Low | 36.4 | Very low | 94 Ų | 94 | 152 Ų | 152 | 61% | 0.61 | 78% | 0.778 | S | S | * | * | cis | -134.7 | -128.5 | -24.3 | 40.2 | -18.1 | 0 | 0 | 0 | 110.5 | ||||
| 394 | P | 58.9 | Low | 36.4 | Very low | 103 Ų | 103 | 155.5 Ų | 155.5 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | -119.9 | -153 | -56.4 | 40 | -21.8 | 0 | 0 | 0 | 111.3 | |||||
| 395 | P | 55.5 | Low | 36.3 | Very low | 104 Ų | 104 | 149.9 Ų | 149.9 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | cis | -119.7 | 155.5 | -20.4 | 18.2 | 6.6 | 0 | 0 | 0 | 114.1 | ||||
| 396 | Q | 36.6 | Very low | 35.9 | Very low | 153 Ų | 153 | 143.8 Ų | 143.8 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | 60.4 | 141.6 | 78.2 | -50.9 | -157.7 | -37.1 | 0 | 0 | 115.5 | |||||
| 397 | H | 33.8 | Very low | 34.7 | Very low | 142 Ų | 142 | 145.8 Ų | 145.8 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | cis | -116.7 | -154.2 | 9.8 | -65.5 | -95.8 | 0 | 0 | 0 | 110.2 | ||||
| 398 | F | 31.3 | Very low | 34.2 | Very low | 190 Ų | 190 | 142.6 Ų | 142.6 | 83% | 0.833 | 75% | 0.753 | S | S | * | * | cis | -148.9 | -143.8 | 5.6 | -129.1 | -45.7 | 0 | 0 | 0 | 111.9 | ||||
| 399 | Y | 28.7 | Very low | 34.1 | Very low | 202 Ų | 202 | 142.3 Ų | 142.3 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | trans | -152.6 | 150 | -174.2 | -131.4 | -109 | 0 | 0 | 0 | 110 | ||||
| 400 | N | 26.7 | Very low | 34.1 | Very low | 161 Ų | 161 | 143 Ų | 143 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | trans | -149.5 | 143.1 | 137 | -146.7 | -58 | 0 | 0 | 0 | 110 | ||||
| 401 | S | 31.2 | Very low | 33.8 | Very low | 85 Ų | 85 | 136.6 Ų | 136.6 | 59% | 0.594 | 74% | 0.74 | S | S | * | * | trans | -134.3 | 118.1 | -179.1 | -175.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 402 | E | 28 | Very low | 34 | Very low | 184 Ų | 184 | 142.5 Ų | 142.5 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | trans | -65.7 | 136.9 | 174.7 | -62.3 | -175.1 | 128.3 | 0 | 0 | 110.1 | ||||
| 403 | H | 34.8 | Very low | 34.4 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | trans | -165.1 | 133.6 | 155.7 | -118.8 | -82.1 | 0 | 0 | 0 | 112.9 | ||||
| 404 | M | 32.1 | Very low | 33.3 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 73% | 0.729 | 75% | 0.751 | S | S | * | * | trans | 78.8 | 115.3 | 158.6 | -46.9 | -74.6 | 64.1 | 0 | 0 | 119.7 | ||||
| 405 | V | 28.4 | Very low | 31.9 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | -157.9 | 137.8 | 92.1 | 145.6 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 406 | S | 27.7 | Very low | 30.7 | Very low | 96 Ų | 96 | 148 Ų | 148 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | trans | 0.9 | 156.1 | 155.2 | -40.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 407 | Q | 28.8 | Very low | 30.5 | Very low | 159 Ų | 159 | 149.7 Ų | 149.7 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | cis | -169.5 | 146.6 | 45.5 | -158.2 | 169.8 | -31.9 | 0 | 0 | 113.8 | ||||
| 408 | E | 24 | Very low | 30.3 | Very low | 154 Ų | 154 | 149.3 Ų | 149.3 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | 60.3 | 145.5 | 159 | -76.9 | 170.2 | 104.4 | 0 | 0 | 119.6 | ||||
| 409 | T | 27.1 | Very low | 30.5 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | cis | -155.3 | 151 | 14.9 | -12.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 410 | S | 29.8 | Very low | 30.9 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | 50.3 | 133 | 156.5 | 59.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 411 | G | 27.8 | Very low | 31.2 | Very low | 64 Ų | 64 | 142.3 Ų | 142.3 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | cis | 165.5 | 120.7 | -9.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 412 | F | 32.8 | Very low | 31.8 | Very low | 204 Ų | 204 | 146.9 Ų | 146.9 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | 60.1 | 155.8 | 155.9 | -72.3 | -91 | 0 | 0 | 0 | 121.3 | ||||
| 413 | P | 42.1 | Very low | 32.3 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | -136.5 | 172.6 | -57.1 | 37.6 | -19.8 | 0 | 0 | 0 | 114.3 | |||||
| 414 | S | 32.8 | Very low | 32.3 | Very low | 124 Ų | 124 | 144.2 Ų | 144.2 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | trans | -85 | 151.9 | 172.8 | -48.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 415 | Q | 30.1 | Very low | 32.3 | Very low | 185 Ų | 185 | 146.4 Ų | 146.4 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -139.1 | 130.8 | 152.5 | -173.1 | 165.7 | -6.8 | 0 | 0 | 110.8 | ||||
| 416 | R | 31.2 | Very low | 32.8 | Very low | 218 Ų | 218 | 145.5 Ų | 145.5 | 82% | 0.823 | 78% | 0.78 | S | S | * | * | trans | -80 | 152.8 | 172.2 | -70.8 | -168.8 | -178.1 | -159.4 | 4.5 | 111.2 | ||||
| 417 | Q | 31.1 | Very low | 33.1 | Very low | 187 Ų | 187 | 148.8 Ų | 148.8 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -153.9 | 147 | 134.5 | -115.1 | 173.2 | 8 | 0 | 0 | 111.5 | ||||
| 418 | D | 30 | Very low | 33.8 | Very low | 135 Ų | 135 | 147 Ų | 147 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -76.1 | 139.4 | -178.7 | -62.3 | -99.1 | 0 | 0 | 0 | 112.9 | ||||
| 419 | N | 34.9 | Very low | 34.3 | Very low | 135 Ų | 135 | 147.2 Ų | 147.2 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | 177.9 | 131.7 | 143.8 | -99.2 | -14.7 | 0 | 0 | 0 | 111.3 | I421 | N419-I421 PolarHBondContact O-N 3.19Š| ||
| 420 | P | 36.9 | Very low | 35 | Very low | 132 Ų | 132 | 146.5 Ų | 146.5 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -85.4 | 88.9 | 167.2 | 33.5 | -30.3 | 0 | 0 | 0 | 110.2 | ||||
| 421 | I | 34.4 | Very low | 35.1 | Very low | 139 Ų | 139 | 149 Ų | 149 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | -104.7 | 127.9 | 165.4 | -79.1 | 171.3 | 0 | 0 | 0 | 109 | N419 P423 | N419-I421 PolarHBondContact O-N 3.19Å; I421-P423 WeakPolarHBondContact O-CD 3.48Å | ||
| 422 | M | 42.4 | Very low | 35.4 | Very low | 180 Ų | 180 | 155 Ų | 155 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | -74.4 | 115.2 | -175.3 | -164.8 | 158.8 | 66.3 | 0 | 0 | 110.4 | ||||
| 423 | P | 38.6 | Very low | 35.3 | Very low | 107 Ų | 107 | 151.5 Ų | 151.5 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 127.6 | 175.1 | -3.3 | 21.8 | 0 | 0 | 0 | 109.8 | I421 | I421-P423 WeakPolarHBondContact O-CD 3.48Š|
| 424 | Q | 35.7 | Very low | 35.1 | Very low | 182 Ų | 182 | 150.9 Ų | 150.9 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70 | 135.2 | 163.8 | -70.6 | -153.4 | -20.5 | 0 | 0 | 109.9 | ||
| 425 | Y | 31.8 | Very low | 35.2 | Very low | 194 Ų | 194 | 152.9 Ų | 152.9 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 122.2 | 166.1 | -93.8 | -80.1 | 0 | 0 | 0 | 110.1 | F427 | Y425-F427 AromaticContact CD1-CD2 3.82Å; Y425-F427 HydrophobicContact CD1-CD2 3.82Å; Y425-F427 AromaticContact CD1-CE2 3.2Å; Y425-F427 HydrophobicContact CD1-CE2 3.2Å; Y425-F427 AromaticContact CD1-CZ 3.81Å; Y425-F427 HydrophobicContact CD1-CZ 3.81Å; Y425-F427 AromaticContact CE1-CE2 3.59Å; Y425-F427 HydrophobicContact CE1-CE2 3.59Å; Y425-F427 AromaticContact CE1-CZ 3.83Å; Y425-F427 HydrophobicContact CE1-CZ 3.83Å; Y425-F427 HydrophobicContact CG-CD2 4.42Å; Y425-F427 HydrophobicContact CG-CE2 4.07Å |
| 426 | S | 38.3 | Very low | 35.3 | Very low | 111 Ų | 111 | 150.9 Ų | 150.9 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -102.8 | 106.9 | 164.3 | -56 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 427 | F | 33.8 | Very low | 35.5 | Very low | 166 Ų | 166 | 149.4 Ų | 149.4 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | trans | -118.9 | 133.9 | 166.9 | -77.9 | -65.5 | 0 | 0 | 0 | 109.3 | Y425 | Y425-F427 AromaticContact CD1-CD2 3.82Å; Y425-F427 HydrophobicContact CD1-CD2 3.82Å; Y425-F427 AromaticContact CD1-CE2 3.2Å; Y425-F427 HydrophobicContact CD1-CE2 3.2Å; Y425-F427 AromaticContact CD1-CZ 3.81Å; Y425-F427 HydrophobicContact CD1-CZ 3.81Å; Y425-F427 AromaticContact CE1-CE2 3.59Å; Y425-F427 HydrophobicContact CE1-CE2 3.59Å; Y425-F427 AromaticContact CE1-CZ 3.83Å; Y425-F427 HydrophobicContact CE1-CZ 3.83Å; Y425-F427 HydrophobicContact CG-CD2 4.42Å; Y425-F427 HydrophobicContact CG-CE2 4.07Å | ||
| 428 | P | 43.7 | Very low | 36.1 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 142.9 | 175.3 | 32 | -33.2 | 0 | 0 | 0 | 111.1 | ||
| 429 | L | 36.1 | Very low | 36.5 | Very low | 157 Ų | 157 | 148 Ų | 148 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -77 | 149.4 | 170.7 | -71 | 166.4 | 0 | 0 | 0 | 110.7 | ||
| 430 | P | 40.3 | Very low | 36.9 | Very low | 99 Ų | 99 | 153.3 Ų | 153.3 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68 | 133.7 | 175.6 | 28.2 | -33.8 | 0 | 0 | 0 | 111.3 | F432 | P430-F432 HydrophobicContact CB-CE2 4.24Å; P430-F432 HydrophobicContact CB-CZ 4.31Å; P430-F432 HydrophobicContact CG-CE2 4.21Å; P430-F432 HydrophobicContact CG-CZ 4.49Å |
| 431 | M | 32 | Very low | 37.4 | Very low | 175 Ų | 175 | 152 Ų | 152 | 86% | 0.862 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 141.4 | 172.9 | -66.5 | -170.8 | 67.8 | 0 | 0 | 111 | ||
| 432 | F | 33.6 | Very low | 38.1 | Very low | 188 Ų | 188 | 150.7 Ų | 150.7 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -128.1 | 130.7 | 166.8 | -54 | -83.8 | 0 | 0 | 0 | 107.8 | P430 | P430-F432 HydrophobicContact CB-CE2 4.24Å; P430-F432 HydrophobicContact CB-CZ 4.31Å; P430-F432 HydrophobicContact CG-CE2 4.21Å; P430-F432 HydrophobicContact CG-CZ 4.49Å | ||
| 433 | D | 32 | Very low | 38.7 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -118.1 | 107.7 | -171.9 | -155.3 | 49.2 | 0 | 0 | 0 | 107.7 | ||||
| 434 | V | 37.9 | Very low | 39.9 | Very low | 100 Ų | 100 | 148.2 Ų | 148.2 | 61% | 0.606 | 78% | 0.777 | S | S | * | * | 90 | 133.3 | 95 | 162 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 435 | H | 33.8 | Very low | 40.9 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 173.8 | 123.1 | 136.5 | -76.6 | -28.2 | 0 | 0 | 0 | 107.7 | ||||
| 436 | N | 33.2 | Very low | 42.4 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | cis | 109.8 | 92.2 | 47.9 | -168 | 7.1 | 0 | 0 | 0 | 110.6 | ||||
| 437 | F | 35 | Very low | 43.5 | Very low | 187 Ų | 187 | 141.7 Ų | 141.7 | 82% | 0.82 | 77% | 0.772 | S | S | * | * | trans | -136.3 | 143.8 | 168.6 | -89.8 | -81 | 0 | 0 | 0 | 109.9 | L439 | F437-L439 PolarHBondContact O-N 3.1Å; F437-L439 VanDerWaalsContact O-N 3.14Å | ||
| 438 | P | 44.3 | Very low | 44.4 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -85.6 | 91.2 | -169.5 | 33.7 | -34.6 | 0 | 0 | 0 | 112.3 | ||||
| 439 | L | 37.8 | Very low | 44.7 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 88% | 0.88 | 78% | 0.775 | S | S | * | * | trans | -98.8 | 118.1 | 170.8 | -73.3 | 174 | 0 | 0 | 0 | 111.9 | F437 S441 | F437-L439 PolarHBondContact O-N 3.1Å; F437-L439 VanDerWaalsContact O-N 3.14Å; L439-S441 PolarHBondContact O-N 3.49Å | ||
| 440 | R | 44.3 | Very low | 45.2 | Very low | 246 Ų | 246 | 139.1 Ų | 139.1 | 93% | 0.928 | 78% | 0.779 | S | S | * | * | trans | -68.8 | 105.5 | 179.7 | -166.2 | -179.3 | -164 | 169.4 | 3.7 | 109.7 | ||||
| 441 | S | 46.5 | Very low | 45.3 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 138.2 | 178.3 | 54.8 | 0 | 0 | 0 | 0 | 112 | L439 | L439-S441 PolarHBondContact O-N 3.49Š|
| 442 | P | 49.3 | Very low | 45.5 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 153.2 | 172.6 | 29.8 | -34.7 | 0 | 0 | 0 | 111.3 | ||
| 443 | P | 55.3 | Low | 45.6 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 148.6 | -179.7 | 29.3 | -35 | 0 | 0 | 0 | 112.1 | ||
| 444 | P | 62.7 | Low | 45.5 | Very low | 116 Ų | 116 | 142 Ų | 142 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 154.7 | 178.6 | 30.4 | -35.6 | 0 | 0 | 0 | 112.5 | ||
| 445 | P | 58.1 | Low | 45.2 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 153.9 | 175.7 | 29.7 | -35.4 | 0 | 0 | 0 | 112.3 | ||
| 446 | P | 62.2 | Low | 45.3 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 151.5 | -179.9 | 29.5 | -35.4 | 0 | 0 | 0 | 112.6 | ||
| 447 | P | 61.3 | Low | 45.7 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 153.7 | -179.9 | 30.6 | -35.9 | 0 | 0 | 0 | 112.7 | ||
| 448 | P | 53.8 | Low | 45.8 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 149.7 | 174.5 | 30 | -35.2 | 0 | 0 | 0 | 111.7 | V450 | P448-V450 PolarHBondContact O-N 2.8Š|
| 449 | P | 48.3 | Very low | 45.2 | Very low | 129 Ų | 129 | 138 Ų | 138 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 129.6 | 179.6 | 28 | -34 | 0 | 0 | 0 | 112 | N451 | P449-N451 PolarHBondContact O-N 3.19Å; P449-N451 VanDerWaalsContact O-N 3.13Å |
| 450 | V | 47.4 | Very low | 45 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 90% | 0.903 | 78% | 0.78 | S | S | * | * | trans | -74.5 | 95.1 | 172.7 | -85.2 | 0 | 0 | 0 | 0 | 111.3 | P448 | P448-V450 PolarHBondContact O-N 2.8Š| ||
| 451 | N | 42.3 | Very low | 44.5 | Very low | 139 Ų | 139 | 126.7 Ų | 126.7 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | -157.9 | 93.9 | 154.7 | -160.5 | 13.5 | 0 | 0 | 0 | 113 | P449 | P449-N451 PolarHBondContact O-N 3.19Å; P449-N451 VanDerWaalsContact O-N 3.13Å | ||
| 452 | M | 35.6 | Very low | 44 | Very low | 162 Ų | 162 | 130.1 Ų | 130.1 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | -176.4 | 127.5 | 125.6 | -121.7 | 58.5 | 168.8 | 0 | 0 | 110.7 | |||||
| 453 | S | 36.3 | Very low | 43.6 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -65 | 139.7 | 178 | 51 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 454 | W | 30.4 | Very low | 42.5 | Very low | 243 Ų | 243 | 132.5 Ų | 132.5 | 92% | 0.92 | 78% | 0.784 | S | S | * | * | trans | -160.4 | 140.2 | 131 | 54.7 | -69.8 | 0 | 0 | 0 | 114.3 | ||||
| 455 | A | 32.3 | Very low | 41.2 | Very low | 90 Ų | 90 | 135.1 Ų | 135.1 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | trans | 5.7 | 123.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 456 | T | 35.6 | Very low | 40 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -75.7 | 160.6 | 149.1 | 50.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 457 | P | 41.8 | Very low | 38.7 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | -129.8 | 123.8 | 89.8 | 34.4 | -24.2 | 0 | 0 | 0 | 111.8 | |||||
| 458 | N | 36 | Very low | 37.9 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 67% | 0.668 | 80% | 0.795 | S | S | * | * | 59.9 | 98.8 | 87.1 | -174.3 | 21 | 0 | 0 | 0 | 114.6 | |||||
| 459 | M | 32.6 | Very low | 37.1 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 84% | 0.837 | 80% | 0.8 | S | S | * | * | trans | -149 | 122 | 145.5 | -90.5 | -59.3 | 103.5 | 0 | 0 | 111.1 | ||||
| 460 | A | 33.1 | Very low | 36.9 | Very low | 79 Ų | 79 | 142.8 Ų | 142.8 | 65% | 0.653 | 80% | 0.8 | S | S | * | * | trans | 27 | 123.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 461 | A | 34.5 | Very low | 36.8 | Very low | 97 Ų | 97 | 143.6 Ų | 143.6 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -89 | 149.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 462 | H | 34.5 | Very low | 37.2 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | trans | -131.2 | 151.9 | 165.1 | -78 | -71.8 | 0 | 0 | 0 | 110.9 | ||||
| 463 | P | 40.8 | Very low | 38.2 | Very low | 122 Ų | 122 | 140 Ų | 140 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | -95.5 | 164.1 | -149.7 | 36.5 | -37.2 | 0 | 0 | 0 | 115.9 | ||||
| 464 | L | 33.8 | Very low | 39.1 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -56.8 | 144.9 | 173.6 | -62.7 | 161.3 | 0 | 0 | 0 | 113.1 | ||||
| 465 | L | 33.9 | Very low | 40.4 | Very low | 172 Ų | 172 | 133.6 Ų | 133.6 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | trans | -125.1 | 112.9 | 156.6 | -73.6 | 177.1 | 0 | 0 | 0 | 109.7 | ||||
| 466 | N | 34.3 | Very low | 41.7 | Very low | 154 Ų | 154 | 134.9 Ų | 134.9 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -81.1 | 135.3 | 168.3 | -81 | -20.2 | 0 | 0 | 0 | 109.8 | ||||
| 467 | L | 35.1 | Very low | 43 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | -137.9 | 125.4 | 161.6 | -87.4 | 168.7 | 0 | 0 | 0 | 109.4 | ||||
| 468 | P | 42.5 | Very low | 43.9 | Very low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -89.3 | 130.9 | 175.4 | 33.9 | -30.1 | 0 | 0 | 0 | 110.6 | ||||
| 469 | Y | 37.5 | Very low | 45.3 | Very low | 215 Ų | 215 | 134.1 Ų | 134.1 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -120.2 | 113.7 | 165 | -94.6 | -87.5 | 0 | 0 | 0 | 109.6 | ||||
| 470 | S | 45.4 | Very low | 46.6 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 124.2 | 170.8 | -57.4 | 0 | 0 | 0 | 0 | 109.2 | ||
| 471 | L | 43.5 | Very low | 47.7 | Very low | 166 Ų | 166 | 135.3 Ų | 135.3 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 141.4 | 173.6 | -72.5 | 164.3 | 0 | 0 | 0 | 110.4 | ||
| 472 | P | 52.2 | Low | 49.2 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 157 | 171.8 | 32.2 | -34.6 | 0 | 0 | 0 | 111.5 | ||
| 473 | P | 55.3 | Low | 50.4 | Low | 119 Ų | 119 | 133.6 Ų | 133.6 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 150.9 | -178.6 | 29.6 | -35.4 | 0 | 0 | 0 | 112.9 | ||
| 474 | P | 55.7 | Low | 50.8 | Low | 102 Ų | 102 | 133.9 Ų | 133.9 | 66% | 0.662 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 157 | -179.9 | 30.8 | -35.8 | 0 | 0 | 0 | 113.1 | ||
| 475 | P | 57.5 | Low | 51.3 | Low | 116 Ų | 116 | 132 Ų | 132 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -72 | 157 | 178.4 | 30.8 | -35.9 | 0 | 0 | 0 | 113 | ||
| 476 | P | 59.3 | Low | 52 | Low | 118 Ų | 118 | 129.4 Ų | 129.4 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 152.9 | -179.4 | 29.8 | -35.6 | 0 | 0 | 0 | 113.1 | ||
| 477 | P | 63.6 | Low | 52.4 | Low | 117 Ų | 117 | 125.8 Ų | 125.8 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 156.5 | -179 | 30.9 | -36 | 0 | 0 | 0 | 113.2 | ||
| 478 | P | 61.3 | Low | 52.8 | Low | 114 Ų | 114 | 126.5 Ų | 126.5 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70 | 152.8 | 179.3 | 29.6 | -35.6 | 0 | 0 | 0 | 112.9 | ||
| 479 | P | 64.1 | Low | 52.7 | Low | 128 Ų | 128 | 126.1 Ų | 126.1 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 150.2 | -177.6 | 29.2 | -35.2 | 0 | 0 | 0 | 113.4 | ||
| 480 | L | 59.8 | Low | 52.9 | Low | 162 Ų | 162 | 123.5 Ų | 123.5 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 151.3 | 177.4 | -71.1 | 166.6 | 0 | 0 | 0 | 112.1 | ||
| 481 | P | 57.8 | Low | 52.7 | Low | 113 Ų | 113 | 122.9 Ų | 122.9 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 147.6 | 177.6 | 29.7 | -35.2 | 0 | 0 | 0 | 112.5 | ||
| 482 | P | 65.9 | Low | 52.8 | Low | 120 Ų | 120 | 123.3 Ų | 123.3 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 151.7 | -176.6 | 30.5 | -35.5 | 0 | 0 | 0 | 113.8 | ||
| 483 | P | 58.3 | Low | 52.4 | Low | 117 Ų | 117 | 127.6 Ų | 127.6 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 163.7 | 175 | 31.6 | -35.4 | 0 | 0 | 0 | 113 | ||
| 484 | P | 49.5 | Very low | 51.6 | Low | 128 Ų | 128 | 123.9 Ų | 123.9 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 133.3 | -169.1 | 28.7 | -35.7 | 0 | 0 | 0 | 113.8 | ||
| 485 | S | 45.8 | Very low | 51.6 | Low | 118 Ų | 118 | 125.3 Ų | 125.3 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 122.1 | 174.3 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 486 | S | 48.5 | Very low | 50.9 | Low | 119 Ų | 119 | 129.9 Ų | 129.9 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 135.3 | 165.8 | -47.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 487 | G | 40.9 | Very low | 50.3 | Low | 77 Ų | 77 | 139 Ų | 139 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -150.9 | 71.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S489 | G487-S489 PolarHBondContact O-N 3.25Š| ||
| 488 | D | 45.2 | Very low | 49.6 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | -74.7 | 115.5 | 167 | -85.8 | -57.2 | 0 | 0 | 0 | 110.4 | ||||
| 489 | S | 40.4 | Very low | 49 | Very low | 108 Ų | 108 | 141.5 Ų | 141.5 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | 178.1 | 102.9 | 122.3 | 57.4 | 0 | 0 | 0 | 0 | 114 | G487 | G487-S489 PolarHBondContact O-N 3.25Š| |||
| 490 | N | 42 | Very low | 48.2 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | 57.1 | 96.2 | 120.2 | -161.1 | 13.5 | 0 | 0 | 0 | 120 | |||||
| 491 | S | 40.2 | Very low | 47.5 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | -151.6 | 90.8 | 148.9 | 68.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 492 | H | 46.7 | Very low | 46.9 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | 33.9 | 102.5 | 133.9 | -144.5 | -44.3 | 0 | 0 | 0 | 118.6 | ||||
| 493 | F | 42 | Very low | 45.6 | Very low | 198 Ų | 198 | 144.4 Ų | 144.4 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | trans | -122.5 | 119.9 | 157.5 | -111.1 | -92.5 | 0 | 0 | 0 | 110.2 | ||||
| 494 | G | 38.3 | Very low | 44.7 | Very low | 40 Ų | 40 | 146.4 Ų | 146.4 | 41% | 0.412 | 82% | 0.823 | S | S | . | * | P | Polyproline II helix | trans | -87.8 | 161.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 495 | P | 56.3 | Low | 44.3 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 135.7 | -178.1 | 31.7 | -33.7 | 0 | 0 | 0 | 111.2 | ||
| 496 | Y | 44 | Very low | 44.2 | Very low | 213 Ų | 213 | 150.3 Ų | 150.3 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 122.7 | 162.2 | -83 | -87.7 | 0 | 0 | 0 | 109.2 | ||
| 497 | Y | 46.1 | Very low | 43.8 | Very low | 310 Ų | 310 | 153.1 Ų | 153.1 | 100% | 1.216 | 82% | 0.821 | S | S | * | * | trans | 9.3 | 0 | 160.8 | -82.6 | -89 | 0 | 0 | 0 | 119.6 |
Retrieved 497 of 497 residues in 140.7 ms
(Link to these results)