| 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 | V | 45.7 | Very low | 42.8 | Very low | 192 Ų | 192 | 165.3 Ų | 165.3 | 100% | 1.164 | 88% | 0.877 | S | S | * | * | 0 | 101.5 | 0 | -176.9 | 0 | 0 | 0 | 0 | 109 | |||||
| 2 | R | 42.7 | Very low | 42.3 | Very low | 254 Ų | 254 | 157.9 Ų | 157.9 | 96% | 0.958 | 87% | 0.87 | S | S | * | * | trans | -147.9 | 45.1 | 179.2 | -161.5 | -172.4 | -73 | -164.1 | -0.2 | 111.1 | ||||
| 3 | A | 46.3 | Very low | 41.9 | Very low | 101 Ų | 101 | 158.9 Ų | 158.9 | 84% | 0.835 | 87% | 0.872 | S | S | * | * | trans | -159.9 | 71.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 4 | A | 44.6 | Very low | 41.4 | Very low | 94 Ų | 94 | 154.8 Ų | 154.8 | 78% | 0.777 | 87% | 0.87 | S | S | * | * | trans | -160.4 | 70.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 5 | R | 46.7 | Very low | 41 | Very low | 241 Ų | 241 | 159 Ų | 159 | 91% | 0.909 | 87% | 0.869 | S | S | * | * | trans | -140.4 | 80.6 | 178.7 | -164.4 | -170.1 | -158.9 | -171.4 | 6.9 | 109.9 | ||||
| 6 | E | 43.9 | Very low | 41.5 | Very low | 186 Ų | 186 | 155.3 Ų | 155.3 | 87% | 0.869 | 86% | 0.855 | S | S | * | * | trans | -168.3 | 165.6 | 162.9 | -113 | 160.5 | -136.7 | 0 | 0 | 109.7 | ||||
| 7 | Q | 42.7 | Very low | 41.6 | Very low | 182 Ų | 182 | 153.6 Ų | 153.6 | 85% | 0.85 | 85% | 0.853 | S | S | * | * | trans | 61.9 | 74.3 | 177.3 | -54.1 | -168 | 6.5 | 0 | 0 | 117.2 | ||||
| 8 | I | 42.3 | Very low | 41.5 | Very low | 177 Ų | 177 | 154.1 Ų | 154.1 | 91% | 0.908 | 85% | 0.853 | S | S | * | * | -145.8 | 130.7 | 101.1 | 39.7 | 171.2 | 0 | 0 | 0 | 109 | |||||
| 9 | N | 36.1 | Very low | 41.5 | Very low | 157 Ų | 157 | 152.4 Ų | 152.4 | 84% | 0.84 | 85% | 0.849 | S | S | * | * | trans | -147.5 | 96.7 | 175.4 | -173.8 | 13.8 | 0 | 0 | 0 | 110.5 | ||||
| 10 | I | 41.9 | Very low | 41.5 | Very low | 168 Ų | 168 | 153.3 Ų | 153.3 | 86% | 0.862 | 85% | 0.852 | S | S | * | * | trans | -139.4 | 115 | 166.6 | -79.7 | 161.3 | 0 | 0 | 0 | 101.3 | ||||
| 11 | G | 38.6 | Very low | 41.3 | Very low | 66 Ų | 66 | 154 Ų | 154 | 68% | 0.68 | 85% | 0.848 | S | S | * | * | 87.3 | 110.1 | 66.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 12 | G | 36.1 | Very low | 40.6 | Very low | 77 Ų | 77 | 152.7 Ų | 152.7 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | cis | 142.8 | 74.3 | 9.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 13 | L | 37.3 | Very low | 40.2 | Very low | 171 Ų | 171 | 145 Ų | 145 | 90% | 0.895 | 82% | 0.82 | S | S | * | * | trans | -125.9 | 121.4 | 177.4 | -73 | 174.1 | 0 | 0 | 0 | 109.3 | ||||
| 14 | A | 35.3 | Very low | 39.9 | Very low | 101 Ų | 101 | 145.8 Ų | 145.8 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 134.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 15 | Y | 35.5 | Very low | 40 | Very low | 218 Ų | 218 | 147.2 Ų | 147.2 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 136.7 | 167.1 | -80.8 | -92.9 | 0 | 0 | 0 | 109.9 | ||
| 16 | P | 48 | Very low | 39.4 | Very low | 100 Ų | 100 | 147 Ų | 147 | 65% | 0.649 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 141.5 | -177.3 | 30.8 | -34.7 | 0 | 0 | 0 | 111.8 | ||
| 17 | P | 43.5 | Very low | 39 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 132.2 | 167.6 | 30.7 | -32.7 | 0 | 0 | 0 | 110 | ||
| 18 | L | 40.7 | Very low | 39.3 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 149 | 172.8 | -70.1 | 175.1 | 0 | 0 | 0 | 110.9 | ||
| 19 | P | 41.4 | Very low | 38.8 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 149.6 | -156.5 | 31.4 | -36.9 | 0 | 0 | 0 | 115.2 | ||
| 20 | L | 41.1 | Very low | 38.6 | Very low | 171 Ų | 171 | 134.2 Ų | 134.2 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 129 | 166.1 | -100.3 | 167.3 | 0 | 0 | 0 | 111 | ||
| 21 | H | 36.3 | Very low | 38 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | trans | -158.3 | 94.6 | 160.4 | -144.3 | 63.6 | 0 | 0 | 0 | 106.9 | ||||
| 22 | E | 32.2 | Very low | 37.6 | Very low | 164 Ų | 164 | 138 Ų | 138 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | 73.5 | 121.6 | 81 | -168.1 | 171.9 | 150.6 | 0 | 0 | 113.6 | |||||
| 23 | A | 33.2 | Very low | 37.5 | Very low | 91 Ų | 91 | 142.6 Ų | 142.6 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -146.9 | 150.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 24 | P | 41.3 | Very low | 37.8 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -96.3 | 166.2 | -149.5 | -7.5 | 28.7 | 0 | 0 | 0 | 115.8 | ||||
| 25 | P | 46.2 | Very low | 37.5 | Very low | 123 Ų | 123 | 139 Ų | 139 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | trans | -81.5 | 162.1 | -174 | 33.9 | -37.4 | 0 | 0 | 0 | 114.7 | ||||
| 26 | R | 33.2 | Very low | 37.4 | Very low | 237 Ų | 237 | 133.7 Ų | 133.7 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | trans | -149.8 | 145.6 | 163.3 | -157.2 | 158.4 | -70.3 | 141.1 | 2.3 | 112 | ||||
| 27 | P | 36.1 | Very low | 36.6 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | -105.2 | -172.5 | -164.6 | 44.8 | -37.7 | 0 | 0 | 0 | 113.2 | ||||
| 28 | P | 49.8 | Very low | 35.8 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | -99.4 | 164.4 | -155.8 | 39.2 | -37.2 | 0 | 0 | 0 | 117.2 | ||||
| 29 | S | 31.1 | Very low | 35.2 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -165.1 | 158.9 | 157.8 | -165.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 30 | G | 31.1 | Very low | 34.6 | Very low | 63 Ų | 63 | 132.5 Ų | 132.5 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | cis | 133.9 | 117.8 | -7.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 31 | Y | 29.9 | Very low | 34 | Very low | 229 Ų | 229 | 129.5 Ų | 129.5 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | trans | 79.1 | 118.2 | 157.3 | -115.3 | -115.1 | 0 | 0 | 0 | 123.2 | ||||
| 32 | S | 30.4 | Very low | 33.7 | Very low | 84 Ų | 84 | 126.5 Ų | 126.5 | 59% | 0.587 | 78% | 0.783 | S | S | * | * | trans | 54.8 | 126.1 | 133.5 | -59.4 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 33 | Q | 34.6 | Very low | 33.7 | Very low | 175 Ų | 175 | 124.6 Ų | 124.6 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | 41.8 | 152.6 | 120.2 | -60.3 | -69.8 | -14.2 | 0 | 0 | 120.9 | |||||
| 34 | P | 44 | Very low | 33.5 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | cis | -149.7 | -179.2 | 26.3 | 45.2 | -24.7 | 0 | 0 | 0 | 119.7 | ||||
| 35 | A | 28.2 | Very low | 33.1 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | trans | 59.9 | 111.9 | 138.2 | 0 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 36 | S | 33.2 | Very low | 32.5 | Very low | 106 Ų | 106 | 129 Ų | 129 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | 44.4 | 119.6 | 113.8 | -174.1 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 37 | V | 30.5 | Very low | 33.1 | Very low | 138 Ų | 138 | 123.6 Ų | 123.6 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -144 | 104 | 150.1 | -176 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 38 | C | 26.8 | Very low | 33.2 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | 74 | 135.8 | 86.5 | -62.8 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 39 | S | 28.8 | Very low | 32.9 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -92.7 | 155 | -168.1 | -28.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 40 | S | 28.6 | Very low | 32.9 | Very low | 116 Ų | 116 | 125 Ų | 125 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | 168.2 | 163.1 | 147.1 | -88.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 41 | S | 28.4 | Very low | 32.8 | Very low | 109 Ų | 109 | 125.3 Ų | 125.3 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | cis | -174.9 | 133.6 | -25.9 | -89 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 42 | A | 29.8 | Very low | 33.2 | Very low | 106 Ų | 106 | 121.4 Ų | 121.4 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | trans | -159.3 | 96 | 170 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 43 | S | 31.8 | Very low | 33.6 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -91 | 140 | 168 | -54.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 44 | F | 30.5 | Very low | 33.5 | Very low | 207 Ų | 207 | 121.2 Ų | 121.2 | 91% | 0.908 | 80% | 0.804 | S | S | * | * | trans | -140.5 | 148.6 | 159.9 | -163.6 | -102.1 | 0 | 0 | 0 | 110.8 | ||||
| 45 | N | 32.9 | Very low | 33.4 | Very low | 150 Ų | 150 | 121.8 Ų | 121.8 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | -101.3 | 147.7 | -169.3 | -80.3 | -68.4 | 0 | 0 | 0 | 113 | ||||
| 46 | G | 32.1 | Very low | 33.7 | Very low | 70 Ų | 70 | 125.1 Ų | 125.1 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | -153.1 | 135.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 47 | P | 47.1 | Very low | 34.3 | Very low | 122 Ų | 122 | 125.1 Ų | 125.1 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | trans | -93.5 | 147.8 | -164.3 | 34.7 | -35.5 | 0 | 0 | 0 | 116.2 | ||||
| 48 | F | 36.8 | Very low | 34.5 | Very low | 197 Ų | 197 | 125.8 Ų | 125.8 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -11.8 | 165.6 | 154.3 | -54.5 | -74.9 | 0 | 0 | 0 | 121.2 | ||||
| 49 | P | 43.4 | Very low | 34.7 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | cis | -134.8 | 164.5 | -4.3 | 29.9 | -9.3 | 0 | 0 | 0 | 116.9 | ||||
| 50 | G | 30.8 | Very low | 35.5 | Very low | 84 Ų | 84 | 125.3 Ų | 125.3 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | 97.4 | 132.4 | 125 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 51 | G | 30 | Very low | 35.7 | Very low | 69 Ų | 69 | 130.1 Ų | 130.1 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | 133.6 | 125.5 | 150.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 52 | V | 38 | Very low | 35.9 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | 44.7 | 93.7 | 148.7 | -65.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 53 | V | 38.9 | Very low | 36.3 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 87% | 0.873 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 135.8 | 144.9 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | ||
| 54 | S | 33 | Very low | 36.4 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70 | 134.7 | -177.8 | -59.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 55 | P | 41.7 | Very low | 36.6 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 157.3 | 169.1 | 35.7 | -34 | 0 | 0 | 0 | 113.2 | ||
| 56 | Q | 35.3 | Very low | 37.3 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 173.8 | 159.5 | -99.9 | -167.4 | -27.1 | 0 | 0 | 112 | H58 | Q56-H58 PolarHBondContact NE2-NE2 3.29Š|
| 57 | P | 44.7 | Very low | 37.5 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | cis | -145.6 | 161.7 | 30.8 | 40.6 | -19.6 | 0 | 0 | 0 | 120.4 | ||||
| 58 | H | 35.7 | Very low | 37.2 | Very low | 152 Ų | 152 | 128.7 Ų | 128.7 | 70% | 0.704 | 79% | 0.786 | S | S | * | * | trans | 29.1 | 128.4 | 138.3 | -63.1 | -115.7 | 0 | 0 | 0 | 121.5 | Q56 | Q56-H58 PolarHBondContact NE2-NE2 3.29Š| ||
| 59 | S | 30.5 | Very low | 37.5 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -146.6 | 139.1 | 138 | -174.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 60 | S | 44.5 | Very low | 37.1 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -139.1 | 96.8 | 178.1 | 57.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 61 | Y | 34.1 | Very low | 37.9 | Very low | 218 Ų | 218 | 129 Ų | 129 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | -146.5 | 140.5 | 178.3 | -99.2 | -80.3 | 0 | 0 | 0 | 113.2 | ||||
| 62 | Y | 32.4 | Very low | 38.4 | Very low | 202 Ų | 202 | 133.8 Ų | 133.8 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | trans | 79.2 | 85.5 | 155 | -139.3 | -93.6 | 0 | 0 | 0 | 120.9 | ||||
| 63 | S | 37.7 | Very low | 38.5 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | 42.9 | 106.4 | 120.4 | -51.7 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 64 | G | 33.4 | Very low | 38.4 | Very low | 75 Ų | 75 | 135.7 Ų | 135.7 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | 86 | 137.8 | 108.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 65 | L | 35.5 | Very low | 38.8 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | -169.6 | 166.1 | 125.8 | -102.4 | 166.6 | 0 | 0 | 0 | 110.8 | |||||
| 66 | S | 47.1 | Very low | 38.6 | Very low | 113 Ų | 113 | 139 Ų | 139 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | -73.5 | 137.9 | -172.4 | 51.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 67 | G | 37.8 | Very low | 39 | Very low | 60 Ų | 60 | 137.1 Ų | 137.1 | 62% | 0.619 | 75% | 0.754 | S | S | * | * | trans | -116.9 | 144.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q69 | G67-Q69 PolarHBondContact O-N 2.78Š| ||
| 68 | P | 40 | Very low | 38.8 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 87% | 0.87 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 124.2 | -173.7 | 28.7 | -34.2 | 0 | 0 | 0 | 112.1 | ||
| 69 | Q | 42.3 | Very low | 39 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 141.2 | 172.3 | -66.8 | -176.2 | -5.4 | 0 | 0 | 110.9 | G67 | G67-Q69 PolarHBondContact O-N 2.78Š|
| 70 | H | 35.9 | Very low | 39.3 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 63% | 0.634 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -63 | 136 | 174.9 | -98.2 | -116.1 | 0 | 0 | 0 | 111.3 | F72 | H70-F72 PolarHBondContact O-N 3.36Å; H70-F72 VanDerWaalsContact O-N 3.13Å |
| 71 | P | 46.8 | Very low | 39.1 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -4.8 | -176.9 | 29.8 | -36.1 | 0 | 0 | 0 | 114.5 | ||
| 72 | F | 41 | Very low | 39.6 | Very low | 168 Ų | 168 | 127.3 Ų | 127.3 | 74% | 0.737 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -15.4 | -169.6 | -68.7 | -76.3 | 0 | 0 | 0 | 115.6 | H70 | H70-F72 PolarHBondContact O-N 3.36Å; H70-F72 VanDerWaalsContact O-N 3.13Å |
| 73 | Y | 39.9 | Very low | 40.5 | Very low | 207 Ų | 207 | 123.5 Ų | 123.5 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -101.9 | -1.8 | -175.3 | -68.8 | -66.3 | 0 | 0 | 0 | 115 | ||
| 74 | N | 36.2 | Very low | 41.9 | Very low | 123 Ų | 123 | 124 Ų | 124 | 66% | 0.658 | 74% | 0.738 | S | S | * | * | trans | -103.1 | 61.2 | 172.8 | -84.4 | -54.4 | 0 | 0 | 0 | 111.4 | A76 | N74-A76 PolarHBondContact O-N 2.63Š| ||
| 75 | R | 42.7 | Very low | 44.3 | Very low | 228 Ų | 228 | 124.3 Ų | 124.3 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | trans | -70.3 | 93.7 | 152.3 | -174 | 177.1 | -173.8 | -168.6 | -1.6 | 106.2 | S77 | R75-S77 PolarHBondContact O-N 3.29Š| ||
| 76 | A | 36.9 | Very low | 46.9 | Very low | 75 Ų | 75 | 119.3 Ų | 119.3 | 62% | 0.62 | 70% | 0.695 | S | S | * | * | trans | -57.4 | 115 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | N74 V78 | N74-A76 PolarHBondContact O-N 2.63Å; A76-V78 PolarHBondContact O-N 3.22Å | ||
| 77 | S | 44.1 | Very low | 49.2 | Very low | 117 Ų | 117 | 114.1 Ų | 114.1 | 82% | 0.818 | 66% | 0.659 | S | S | * | * | trans | -65.6 | 92.4 | 158.2 | -176.2 | 0 | 0 | 0 | 0 | 106.4 | R75 P79 | R75-S77 PolarHBondContact O-N 3.29Å; S77-P79 WeakPolarHBondContact O-CD 3.2Å | ||
| 78 | V | 41 | Very low | 51.9 | Low | 97 Ų | 97 | 112.9 Ų | 112.9 | 59% | 0.588 | 64% | 0.641 | S | S | * | * | trans | -55.8 | 124.9 | 172.1 | 178.3 | 0 | 0 | 0 | 0 | 106.1 | A76 A80 | A76-V78 PolarHBondContact O-N 3.22Å; V78-A80 PolarHBondContact O-N 3.14Å | ||
| 79 | P | 38.3 | Very low | 54.5 | Low | 114 Ų | 114 | 109.7 Ų | 109.7 | 74% | 0.74 | 62% | 0.621 | S | S | * | * | trans | -73.1 | 74.8 | 179.5 | 30.5 | -35 | 0 | 0 | 0 | 109.2 | S77 T81 | S77-P79 WeakPolarHBondContact O-CD 3.2Å; P79-T81 PolarHBondContact O-N 3.32Å | ||
| 80 | A | 38.4 | Very low | 57.1 | Low | 74 Ų | 74 | 102.2 Ų | 102.2 | 61% | 0.612 | 59% | 0.587 | S | S | * | * | trans | -62.2 | 104.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | V78 G82 | V78-A80 PolarHBondContact O-N 3.14Å; A80-G82 PolarHBondContact O-N 3Å | ||
| 81 | T | 40.4 | Very low | 60 | Low | 152 Ų | 152 | 99.1 Ų | 99.1 | 93% | 0.933 | 58% | 0.578 | S | S | * | * | trans | -72.6 | 64 | 176 | 45.1 | 0 | 0 | 0 | 0 | 110.4 | P79 | P79-T81 PolarHBondContact O-N 3.32Š| ||
| 82 | G | 44.8 | Very low | 62.5 | Low | 53 Ų | 53 | 95 Ų | 95 | 55% | 0.546 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -140.8 | 128 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | A80 | A80-G82 PolarHBondContact O-N 3Š|
| 83 | T | 50.3 | Low | 65.2 | Low | 123 Ų | 123 | 91.3 Ų | 91.3 | 76% | 0.755 | 54% | 0.538 | S | S | * | . | trans | -52.6 | 143.5 | 165.8 | 40.8 | 0 | 0 | 0 | 0 | 109.6 | L85 | T83-L85 PolarHBondContact O-N 2.87Š| ||
| 84 | S | 66.7 | Low | 67.9 | Low | 108 Ų | 108 | 84.2 Ų | 84.2 | 76% | 0.755 | 51% | 0.514 | S | S | * | . | trans | -65.5 | 84 | 176.3 | -64.6 | 0 | 0 | 0 | 0 | 110.6 | L86 | S84-L86 PolarHBondContact O-N 2.98Š| ||
| 85 | L | 83.5 | Confident | 70.8 | Confident | 80 Ų | 80 | 78.5 Ų | 78.5 | 42% | 0.419 | 48% | 0.483 | S | S | . | . | trans | -64.5 | 116.5 | 176.9 | -82.4 | 161.4 | 0 | 0 | 0 | 109.2 | T83 L87 M90 M156 | T83-L85 PolarHBondContact O-N 2.87Å; L85-L87 PolarHBondContact O-N 3.27Å; L85-M90 HydrophobicContact CB-CE 3.69Å; L85-M156 WeakPolarHBondContact O-CE 3.11Å | ||
| 86 | L | 90.9 | Very high | 73.5 | Confident | 72 Ų | 72 | 67.8 Ų | 67.8 | 38% | 0.377 | 44% | 0.443 | S | S | . | . | trans | -51.5 | 133.9 | 172.5 | -85.9 | 75 | 0 | 0 | 0 | 110 | S84 S88 S89 E160 V163 | S84-L86 PolarHBondContact O-N 2.98Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 3.1Å; L86-S89 WeakPolarHBondContact O-CB 3.45Å; L86-S89 PolarHBondContact O-N 2.88Å; L86-S89 PolarHBondContact O-OG 2.98Å; L86-E160 WeakPolarHBondContact CB-OE1 3.5Å; L86-E160 HydrophobicContact CD2-CG 4.46Å; L86-E160 HydrophobicContact CG-CG 4.4Å; L86-V163 HydrophobicContact CD1-CG1 3.95Å; L86-V163 HydrophobicContact CD2-CG1 4.29Å; L86-V163 HydrophobicContact CG-CG1 4.26Å | ||
| 87 | L | 94.6 | Very high | 76.3 | Confident | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.016 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -55.7 | -46.6 | -175 | -179.6 | 60.1 | 0 | 0 | 0 | 111.3 | L85 S89 M90 G124 L127 A128 M156 R157 E160 | L85-L87 PolarHBondContact O-N 3.27Å; L87-S89 PolarHBondContact O-N 2.92Å; L87-M90 HydrophobicContact CD1-SD 4.35Å; L87-M90 PolarHBondContact O-N 3.31Å; L87-M90 VanDerWaalsContact O-N 3.08Å; L87-G124 CarbonylContact O-C 3.57Å; L87-G124 VanDerWaalsContact O-C 3.24Å; L87-G124 WeakPolarHBondContact O-CA 3.4Å; L87-L127 HydrophobicContact CD1-CB 4.04Å; L87-L127 HydrophobicContact CD2-CB 4.28Å; L87-L127 HydrophobicContact CG-CB 4.34Å; L87-A128 HydrophobicContact CD2-CB 4.18Å; L87-A128 HydrophobicContact CG-CB 4.29Å; L87-M156 HydrophobicContact CB-CB 4.13Å; L87-M156 HydrophobicContact CB-CE 4.06Å; L87-M156 HydrophobicContact CD1-CB 4.09Å; L87-M156 HydrophobicContact CD1-CE 4.07Å; L87-M156 HydrophobicContact CD1-SD 4.01Å; L87-M156 HydrophobicContact CD2-CB 3.91Å; L87-M156 HydrophobicContact CG-CB 4.26Å; L87-R157 HydrophobicContact CD2-CG 3.76Å; L87-E160 WeakPolarHBondContact CB-OE2 3.46Å; L87-E160 PolarHBondContact N-OE1 2.93Å |
| 88 | S | 95.1 | Very high | 78.8 | Confident | 35 Ų | 35 | 65.8 Ų | 65.8 | 25% | 0.245 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -62.6 | -12.2 | 178.4 | 73.6 | 0 | 0 | 0 | 0 | 115.9 | L86 E160 | L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 3.1Å; S88-E160 WeakPolarHBondContact CB-OE1 3.33Å; S88-E160 VanDerWaalsContact N-CD 3.34Å; S88-E160 PolarHBondContact N-OE1 2.82Å; S88-E160 PolarHBondContact N-OE2 3.41Å; S88-E160 PolarHBondContact OG-OE1 3.16Å |
| 89 | S | 94.9 | Very high | 81.5 | Confident | 66 Ų | 66 | 61.2 Ų | 61.2 | 46% | 0.462 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -88.7 | -15.9 | 176.4 | 76.9 | 0 | 0 | 0 | 0 | 114.2 | L86 L87 | L86-S89 WeakPolarHBondContact O-CB 3.45Å; L86-S89 PolarHBondContact O-N 2.88Å; L86-S89 PolarHBondContact O-OG 2.98Å; L87-S89 PolarHBondContact O-N 2.92Å |
| 90 | M | 96.1 | Very high | 84.3 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 3% | 0.034 | 37% | 0.365 | C | S | . | . | trans | -72.3 | 131.1 | -172.3 | -63.3 | -169.5 | 159.9 | 0 | 0 | 112.9 | L85 L87 I94 V95 K98 G124 M156 | L85-M90 HydrophobicContact CB-CE 3.69Å; L87-M90 HydrophobicContact CD1-SD 4.35Å; L87-M90 PolarHBondContact O-N 3.31Å; L87-M90 VanDerWaalsContact O-N 3.08Å; M90-I94 HydrophobicContact CB-CB 4.16Å; M90-I94 HydrophobicContact CB-CG2 3.93Å; M90-I94 HydrophobicContact CE-CG2 3.94Å; M90-I94 HydrophobicContact CG-CB 4.47Å; M90-I94 HydrophobicContact CG-CG2 3.71Å; M90-I94 HydrophobicContact SD-CG2 3.77Å; M90-V95 HydrophobicContact CB-CG2 3.98Å; M90-K98 HydrophobicContact CE-CD 4.37Å; M90-K98 HydrophobicContact CE-CG 3.94Å; M90-K98 HydrophobicContact SD-CG 4.09Å; M90-G124 WeakPolarHBondContact O-CA 3.47Å; M90-G124 PolarHBondContact O-N 3.4Å; M90-M156 HydrophobicContact CE-CE 3.31Å; M90-M156 HydrophobicContact CE-SD 4.06Å; M90-M156 HydrophobicContact SD-CE 3.78Å; M90-M156 HydrophobicContact SD-SD 4.16Å | ||
| 91 | T | 97.8 | Very high | 87 | Confident | 72 Ų | 72 | 63 Ų | 63 | 44% | 0.442 | 36% | 0.361 | S | S | . | . | trans | -73.9 | 165.5 | 167.5 | 65.6 | 0 | 0 | 0 | 0 | 110.8 | D93 I94 V95 | T91-D93 PolarHBondContact O-N 2.94Å; T91-I94 HydrophobicContact CG2-CD1 4.46Å; T91-I94 PolarHBondContact O-N 3.21Å; T91-I94 VanDerWaalsContact O-N 3.1Å; T91-I94 WeakPolarHBondContact OG1-CG1 3.47Å; T91-I94 PolarHBondContact OG1-N 3.25Å; T91-V95 WeakPolarHBondContact O-CG2 3.4Å; T91-V95 PolarHBondContact O-N 3.47Å | ||
| 92 | V | 98.3 | Very high | 89.7 | Confident | 22 Ų | 22 | 57 Ų | 57 | 13% | 0.133 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -53.8 | -41 | 176.6 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | V95 C96 I117 K118 N121 N123 | V92-V95 WeakPolarHBondContact O-CB 3.33Å; V92-V95 PolarHBondContact O-N 2.85Å; V92-C96 PolarHBondContact O-N 3.3Å; V92-C96 PolarHBondContact O-SG 2.88Å; V92-C96 VanDerWaalsContact O-SG 3.4Å; V92-I117 HydrophobicContact CG1-CG2 3.73Å; V92-K118 HydrophobicContact CG1-CB 4.36Å; V92-K118 HydrophobicContact CG1-CG 3.69Å; V92-N121 WeakPolarHBondContact CG2-OD1 3.36Å; V92-N123 HydrophobicContact CG2-CB 3.88Å |
| 93 | D | 98.1 | Very high | 92.2 | Very high | 90 Ų | 90 | 62 Ų | 62 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.6 | -37.7 | 177.7 | -60.2 | -80.4 | 0 | 0 | 0 | 113.1 | T91 V95 C96 E97 K118 | T91-D93 PolarHBondContact O-N 2.94Å; D93-V95 VanDerWaalsContact C-N 3.29Å; D93-V95 PolarHBondContact O-N 3.25Å; D93-C96 WeakPolarHBondContact O-CB 3.43Å; D93-C96 PolarHBondContact O-N 3.35Å; D93-E97 PolarHBondContact O-N 3.04Å; D93-K118 WeakPolarHBondContact OD1-CE 3.49Å; D93-K118 IonicContact OD1-NZ 2.66Å; D93-K118 PolarHBondContact OD1-NZ 3.49Å |
| 94 | I | 97.2 | Very high | 94.3 | Very high | 58 Ų | 58 | 59.9 Ų | 59.9 | 30% | 0.297 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.4 | -36.3 | 173.9 | -63.8 | 169.2 | 0 | 0 | 0 | 110.3 | M90 T91 E97 K98 | M90-I94 HydrophobicContact CB-CB 4.16Å; M90-I94 HydrophobicContact CB-CG2 3.93Å; M90-I94 HydrophobicContact CE-CG2 3.94Å; M90-I94 HydrophobicContact CG-CB 4.47Å; M90-I94 HydrophobicContact CG-CG2 3.71Å; M90-I94 HydrophobicContact SD-CG2 3.77Å; T91-I94 HydrophobicContact CG2-CD1 4.46Å; T91-I94 PolarHBondContact O-N 3.21Å; T91-I94 VanDerWaalsContact O-N 3.1Å; T91-I94 WeakPolarHBondContact OG1-CG1 3.47Å; T91-I94 PolarHBondContact OG1-N 3.25Å; I94-E97 PolarHBondContact O-N 2.91Å; I94-K98 WeakPolarHBondContact O-CB 3.45Å; I94-K98 PolarHBondContact O-N 2.77Å |
| 95 | V | 97.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65 | -39.9 | 172.8 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | M90 T91 V92 D93 K98 L99 I117 L127 | M90-V95 HydrophobicContact CB-CG2 3.98Å; T91-V95 WeakPolarHBondContact O-CG2 3.4Å; T91-V95 PolarHBondContact O-N 3.47Å; V92-V95 WeakPolarHBondContact O-CB 3.33Å; V92-V95 PolarHBondContact O-N 2.85Å; D93-V95 VanDerWaalsContact C-N 3.29Å; D93-V95 PolarHBondContact O-N 3.25Å; V95-K98 PolarHBondContact O-N 3.4Å; V95-L99 PolarHBondContact O-N 3.02Å; V95-I117 HydrophobicContact CB-CG2 4.47Å; V95-I117 HydrophobicContact CG1-CD1 4.18Å; V95-I117 HydrophobicContact CG1-CG2 4.06Å; V95-L127 HydrophobicContact CB-CD1 4.39Å; V95-L127 HydrophobicContact CG1-CD1 3.49Å; V95-L127 VanDerWaalsContact CG1-CD1 3.49Å; V95-L127 HydrophobicContact CG2-CD1 3.91Å |
| 96 | C | 97.9 | Very high | 96.4 | Very high | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.027 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 172.6 | -68.1 | 0 | 0 | 0 | 0 | 112.7 | V92 D93 L99 R100 I117 | V92-C96 PolarHBondContact O-N 3.3Å; V92-C96 PolarHBondContact O-SG 2.88Å; V92-C96 VanDerWaalsContact O-SG 3.4Å; D93-C96 WeakPolarHBondContact O-CB 3.43Å; D93-C96 PolarHBondContact O-N 3.35Å; C96-L99 PolarHBondContact O-N 2.56Å; C96-R100 PolarHBondContact O-N 2.86Å; C96-I117 VanDerWaalsContact SG-CG2 3.6Å |
| 97 | E | 96.9 | Very high | 96.6 | Very high | 84 Ų | 84 | 57.6 Ų | 57.6 | 39% | 0.393 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.1 | -32.5 | 175.4 | -69.7 | -49.9 | 120.7 | 0 | 0 | 112.5 | D93 I94 R100 Q101 | D93-E97 PolarHBondContact O-N 3.04Å; I94-E97 PolarHBondContact O-N 2.91Å; E97-R100 VanDerWaalsContact CD-NE 3.34Å; E97-R100 WeakPolarHBondContact O-CB 3.42Å; E97-R100 PolarHBondContact O-N 3.37Å; E97-R100 IonicContact OE1-CZ 3.16Å; E97-R100 VanDerWaalsContact OE1-CZ 3.29Å; E97-R100 IonicContact OE1-NE 3.17Å; E97-R100 PolarHBondContact OE1-NE 2.88Å; E97-R100 VanDerWaalsContact OE1-NE 3.08Å; E97-R100 IonicContact OE1-NH2 2.75Å; E97-R100 PolarHBondContact OE1-NH2 3.08Å; E97-R100 WeakPolarHBondContact OE2-CD 3.39Å; E97-R100 IonicContact OE2-CZ 2.66Å; E97-R100 IonicContact OE2-NE 3.29Å; E97-R100 PolarHBondContact OE2-NE 2.68Å; E97-R100 IonicContact OE2-NH2 3.93Å; E97-Q101 VanDerWaalsContact O-CG 3.3Å; E97-Q101 WeakPolarHBondContact O-CG 3.26Å; E97-Q101 PolarHBondContact O-N 3.06Å |
| 98 | K | 95.9 | Very high | 96.8 | Very high | 66 Ų | 66 | 60.4 Ų | 60.4 | 29% | 0.287 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 171.2 | -81.2 | -74.1 | 165.1 | -159.4 | 0 | 112.3 | M90 I94 V95 R100 Q101 M152 | M90-K98 HydrophobicContact CE-CD 4.37Å; M90-K98 HydrophobicContact CE-CG 3.94Å; M90-K98 HydrophobicContact SD-CG 4.09Å; I94-K98 WeakPolarHBondContact O-CB 3.45Å; I94-K98 PolarHBondContact O-N 2.77Å; V95-K98 PolarHBondContact O-N 3.4Å; K98-R100 VanDerWaalsContact C-N 3.28Å; K98-R100 PolarHBondContact O-N 3.1Å; K98-Q101 WeakPolarHBondContact O-CB 3.48Å; K98-Q101 PolarHBondContact O-N 3.5Å; K98-M152 HydrophobicContact CB-CE 4.28Å; K98-M152 HydrophobicContact CB-SD 3.97Å |
| 99 | L | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 171.6 | -170.4 | 76.9 | 0 | 0 | 0 | 112 | V95 C96 Q101 I102 L105 L110 Y113 I117 M141 F149 | V95-L99 PolarHBondContact O-N 3.02Å; C96-L99 PolarHBondContact O-N 2.56Å; L99-Q101 PolarHBondContact O-N 3.08Å; L99-I102 HydrophobicContact CD1-CD1 3.99Å; L99-I102 WeakPolarHBondContact O-CB 3.44Å; L99-I102 PolarHBondContact O-N 3.27Å; L99-L105 HydrophobicContact CD1-CD1 3.7Å; L99-L105 HydrophobicContact CG-CD1 4.12Å; L99-L110 HydrophobicContact CB-CD1 4.23Å; L99-L110 HydrophobicContact CD2-CD1 3.51Å; L99-L110 HydrophobicContact CG-CD1 3.62Å; L99-Y113 HydrophobicContact CD2-CD2 4.44Å; L99-Y113 HydrophobicContact CD2-CG 4.49Å; L99-I117 HydrophobicContact CB-CD1 4.33Å; L99-I117 HydrophobicContact CD2-CD1 3.7Å; L99-I117 HydrophobicContact CG-CD1 4.46Å; L99-M141 HydrophobicContact CD1-CE 3.77Å; L99-M141 HydrophobicContact CD2-CE 4.32Å; L99-F149 HydrophobicContact CD1-CB 4.28Å; L99-F149 HydrophobicContact CD1-CD2 3.38Å; L99-F149 HydrophobicContact CD1-CE2 3.91Å; L99-F149 HydrophobicContact CD1-CG 4.02Å |
| 100 | R | 97.1 | Very high | 97 | Very high | 114 Ų | 114 | 58.9 Ų | 58.9 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.5 | -23.4 | 174.9 | -168.6 | -171.5 | -44.8 | -61.8 | -4 | 113.4 | C96 E97 K98 I102 L110 | C96-R100 PolarHBondContact O-N 2.86Å; E97-R100 VanDerWaalsContact CD-NE 3.34Å; E97-R100 WeakPolarHBondContact O-CB 3.42Å; E97-R100 PolarHBondContact O-N 3.37Å; E97-R100 IonicContact OE1-CZ 3.16Å; E97-R100 VanDerWaalsContact OE1-CZ 3.29Å; E97-R100 IonicContact OE1-NE 3.17Å; E97-R100 PolarHBondContact OE1-NE 2.88Å; E97-R100 VanDerWaalsContact OE1-NE 3.08Å; E97-R100 IonicContact OE1-NH2 2.75Å; E97-R100 PolarHBondContact OE1-NH2 3.08Å; E97-R100 WeakPolarHBondContact OE2-CD 3.39Å; E97-R100 IonicContact OE2-CZ 2.66Å; E97-R100 IonicContact OE2-NE 3.29Å; E97-R100 PolarHBondContact OE2-NE 2.68Å; E97-R100 IonicContact OE2-NH2 3.93Å; K98-R100 VanDerWaalsContact C-N 3.28Å; K98-R100 PolarHBondContact O-N 3.1Å; R100-I102 VanDerWaalsContact C-N 3.34Å; R100-L110 HydrophobicContact CB-CD2 4.1Å; R100-L110 HydrophobicContact CG-CD2 3.92Å |
| 101 | Q | 96.4 | Very high | 97.1 | Very high | 113 Ų | 113 | 62.3 Ų | 62.3 | 53% | 0.528 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 0.9 | 179.1 | -70.4 | 166.6 | 17.3 | 0 | 0 | 113.4 | E97 K98 L99 E103 | E97-Q101 VanDerWaalsContact O-CG 3.3Å; E97-Q101 WeakPolarHBondContact O-CG 3.26Å; E97-Q101 PolarHBondContact O-N 3.06Å; K98-Q101 WeakPolarHBondContact O-CB 3.48Å; K98-Q101 PolarHBondContact O-N 3.5Å; L99-Q101 PolarHBondContact O-N 3.08Å; Q101-E103 PolarHBondContact O-N 3.29Å |
| 102 | I | 96.9 | Very high | 97.1 | Very high | 25 Ų | 25 | 64.1 Ų | 64.1 | 13% | 0.128 | 35% | 0.348 | C | S | . | . | trans | -78.9 | 113.1 | 177.8 | -59.8 | -171.5 | 0 | 0 | 0 | 110.3 | L99 R100 L105 L148 F149 M152 | L99-I102 HydrophobicContact CD1-CD1 3.99Å; L99-I102 WeakPolarHBondContact O-CB 3.44Å; L99-I102 PolarHBondContact O-N 3.27Å; R100-I102 VanDerWaalsContact C-N 3.34Å; I102-L105 HydrophobicContact CB-CB 4.15Å; I102-L105 HydrophobicContact CB-CD1 4.21Å; I102-L105 HydrophobicContact CD1-CD1 4.23Å; I102-L105 HydrophobicContact CG2-CB 3.94Å; I102-L105 HydrophobicContact CG2-CD1 4.24Å; I102-L148 HydrophobicContact CG2-CB 3.59Å; I102-L148 HydrophobicContact CG2-CD1 4.2Å; I102-L148 HydrophobicContact CG2-CG 4.4Å; I102-F149 HydrophobicContact CD1-CB 4.21Å; I102-F149 HydrophobicContact CD1-CD2 4.13Å; I102-M152 HydrophobicContact CD1-CB 4.1Å; I102-M152 HydrophobicContact CD1-CE 4.18Å; I102-M152 HydrophobicContact CD1-SD 3.72Å; I102-M152 HydrophobicContact CG1-SD 3.81Å | ||
| 103 | E | 96.4 | Very high | 97.1 | Very high | 159 Ų | 159 | 63.2 Ų | 63.2 | 74% | 0.743 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 134.6 | 172.8 | -62.8 | -177.6 | 163.4 | 0 | 0 | 111.4 | Q101 L105 | Q101-E103 PolarHBondContact O-N 3.29Å; E103-L105 PolarHBondContact O-N 2.85Å |
| 104 | G | 95.3 | Very high | 97.1 | Very high | 77 Ų | 77 | 59.7 Ų | 59.7 | 79% | 0.794 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | 1.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 105 | L | 97.2 | Very high | 97.2 | Very high | 20 Ų | 20 | 60.8 Ų | 60.8 | 11% | 0.105 | 33% | 0.334 | C | S | . | . | trans | -78.6 | 143.5 | 175.9 | -177.8 | 147 | 0 | 0 | 0 | 111.8 | L99 I102 E103 Q107 L110 Y113 D145 L148 | L99-L105 HydrophobicContact CD1-CD1 3.7Å; L99-L105 HydrophobicContact CG-CD1 4.12Å; I102-L105 HydrophobicContact CB-CB 4.15Å; I102-L105 HydrophobicContact CB-CD1 4.21Å; I102-L105 HydrophobicContact CD1-CD1 4.23Å; I102-L105 HydrophobicContact CG2-CB 3.94Å; I102-L105 HydrophobicContact CG2-CD1 4.24Å; E103-L105 PolarHBondContact O-N 2.85Å; L105-Q107 PolarHBondContact O-N 3.02Å; L105-L110 HydrophobicContact CD2-CB 4.08Å; L105-L110 HydrophobicContact CD2-CD1 3.74Å; L105-L110 HydrophobicContact CD2-CG 4.48Å; L105-Y113 HydrophobicContact CD2-CD2 4.29Å; L105-Y113 HydrophobicContact CD2-CE2 4.43Å; L105-D145 WeakPolarHBondContact CA-OD1 3.14Å; L105-D145 HydrophobicContact CD1-CB 4.36Å; L105-D145 HydrophobicContact CG-CB 4.25Å; L105-L148 HydrophobicContact CB-CD1 4.24Å | ||
| 106 | D | 96.1 | Very high | 97.2 | Very high | 67 Ų | 67 | 61.7 Ų | 61.7 | 36% | 0.358 | 34% | 0.34 | S | S | . | . | trans | -63.6 | 106 | -178.6 | -177.8 | -1.9 | 0 | 0 | 0 | 112.5 | G108 M109 L110 D145 | D106-G108 PolarHBondContact O-N 2.95Å; D106-G108 WeakPolarHBondContact OD1-CA 3.34Å; D106-G108 PolarHBondContact OD1-N 3.08Å; D106-M109 HydrophobicContact CB-CB 4.16Å; D106-M109 HydrophobicContact CB-CG 4.43Å; D106-M109 PolarHBondContact O-N 3.03Å; D106-M109 VanDerWaalsContact O-N 3.11Å; D106-M109 PolarHBondContact OD1-N 2.91Å; D106-M109 WeakPolarHBondContact OD2-CG 3.29Å; D106-L110 PolarHBondContact O-N 3.29Å; D106-D145 PolarHBondContact N-OD1 3.21Å | ||
| 107 | Q | 96.3 | Very high | 97.2 | Very high | 126 Ų | 126 | 61.5 Ų | 61.5 | 59% | 0.589 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -22.5 | 179.9 | -173.5 | 54 | 90.7 | 0 | 0 | 113.4 | L105 L110 | L105-Q107 PolarHBondContact O-N 3.02Å; Q107-L110 VanDerWaalsContact NE2-CD2 3.28Å |
| 108 | G | 97.3 | Very high | 97.3 | Very high | 62 Ų | 62 | 62.8 Ų | 62.8 | 64% | 0.639 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -34.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D106 P111 | D106-G108 PolarHBondContact O-N 2.95Å; D106-G108 WeakPolarHBondContact OD1-CA 3.34Å; D106-G108 PolarHBondContact OD1-N 3.08Å; G108-P111 WeakPolarHBondContact O-CD 3.5Å |
| 109 | M | 97.1 | Very high | 97.4 | Very high | 65 Ų | 65 | 68.5 Ų | 68.5 | 32% | 0.32 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -19.5 | 179 | -69.6 | -70.2 | -74.1 | 0 | 0 | 113.8 | D106 P111 Q112 Y113 | D106-M109 HydrophobicContact CB-CB 4.16Å; D106-M109 HydrophobicContact CB-CG 4.43Å; D106-M109 PolarHBondContact O-N 3.03Å; D106-M109 VanDerWaalsContact O-N 3.11Å; D106-M109 PolarHBondContact OD1-N 2.91Å; D106-M109 WeakPolarHBondContact OD2-CG 3.29Å; M109-P111 VanDerWaalsContact C-N 3.32Å; M109-P111 VanDerWaalsContact O-N 3.16Å; M109-Q112 WeakPolarHBondContact O-CA 3.11Å; M109-Q112 WeakPolarHBondContact O-CB 3.01Å; M109-Q112 PolarHBondContact O-N 2.63Å; M109-Y113 HydrophobicContact CB-CD2 4.25Å; M109-Y113 HydrophobicContact CB-CE1 4.05Å; M109-Y113 HydrophobicContact CB-CE2 3.6Å; M109-Y113 HydrophobicContact CE-CE1 3.93Å; M109-Y113 PolarHBondContact O-N 3Å |
| 110 | L | 97.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 70.1 Ų | 70.1 | 2% | 0.016 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -46.7 | -42.4 | 176.5 | -176.7 | 74.9 | 0 | 0 | 0 | 114.7 | L99 R100 L105 D106 Q107 Q112 Y113 C114 | L99-L110 HydrophobicContact CB-CD1 4.23Å; L99-L110 HydrophobicContact CD2-CD1 3.51Å; L99-L110 HydrophobicContact CG-CD1 3.62Å; R100-L110 HydrophobicContact CB-CD2 4.1Å; R100-L110 HydrophobicContact CG-CD2 3.92Å; L105-L110 HydrophobicContact CD2-CB 4.08Å; L105-L110 HydrophobicContact CD2-CD1 3.74Å; L105-L110 HydrophobicContact CD2-CG 4.48Å; D106-L110 PolarHBondContact O-N 3.29Å; Q107-L110 VanDerWaalsContact NE2-CD2 3.28Å; L110-Q112 VanDerWaalsContact C-N 3.32Å; L110-Q112 PolarHBondContact O-N 3.25Å; L110-Y113 PolarHBondContact O-N 2.73Å; L110-C114 WeakPolarHBondContact O-CB 3.36Å; L110-C114 PolarHBondContact O-N 2.86Å; L110-C114 PolarHBondContact O-SG 2.77Å |
| 111 | P | 98 | Very high | 97.5 | Very high | 79 Ų | 79 | 69.3 Ų | 69.3 | 51% | 0.513 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 177.8 | -21.5 | 34.5 | 0 | 0 | 0 | 112.9 | G108 M109 T115 | G108-P111 WeakPolarHBondContact O-CD 3.5Å; M109-P111 VanDerWaalsContact C-N 3.32Å; M109-P111 VanDerWaalsContact O-N 3.16Å; P111-T115 WeakPolarHBondContact O-CB 3.4Å; P111-T115 PolarHBondContact O-N 3.16Å; P111-T115 PolarHBondContact O-OG1 3.05Å |
| 112 | Q | 98.2 | Very high | 97.5 | Very high | 111 Ų | 111 | 64.2 Ų | 64.2 | 52% | 0.519 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.6 | -45.5 | 175.5 | -178.3 | 63.6 | 8 | 0 | 0 | 110.4 | M109 L110 C114 T115 T116 | M109-Q112 WeakPolarHBondContact O-CA 3.11Å; M109-Q112 WeakPolarHBondContact O-CB 3.01Å; M109-Q112 PolarHBondContact O-N 2.63Å; L110-Q112 VanDerWaalsContact C-N 3.32Å; L110-Q112 PolarHBondContact O-N 3.25Å; Q112-C114 PolarHBondContact O-N 3.36Å; Q112-T115 CarbonylContact O-C 3.58Å; Q112-T115 WeakPolarHBondContact O-CA 3.4Å; Q112-T115 WeakPolarHBondContact O-CB 3.45Å; Q112-T115 PolarHBondContact O-N 2.88Å; Q112-T116 PolarHBondContact O-N 3.39Å; Q112-T116 PolarHBondContact O-OG1 3.2Å |
| 113 | Y | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.008 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 176.8 | -57.4 | -27.2 | 0 | 0 | 0 | 112.5 | L99 L105 M109 L110 T115 T116 I117 M141 N142 D145 | L99-Y113 HydrophobicContact CD2-CD2 4.44Å; L99-Y113 HydrophobicContact CD2-CG 4.49Å; L105-Y113 HydrophobicContact CD2-CD2 4.29Å; L105-Y113 HydrophobicContact CD2-CE2 4.43Å; M109-Y113 HydrophobicContact CB-CD2 4.25Å; M109-Y113 HydrophobicContact CB-CE1 4.05Å; M109-Y113 HydrophobicContact CB-CE2 3.6Å; M109-Y113 HydrophobicContact CE-CE1 3.93Å; M109-Y113 PolarHBondContact O-N 3Å; L110-Y113 PolarHBondContact O-N 2.73Å; Y113-T115 VanDerWaalsContact C-N 3.27Å; Y113-T115 PolarHBondContact O-N 3.46Å; Y113-T116 PolarHBondContact O-N 3.34Å; Y113-I117 WeakPolarHBondContact O-CG1 3.16Å; Y113-I117 PolarHBondContact O-N 3.33Å; Y113-M141 HydrophobicContact CD1-CG 3.7Å; Y113-M141 HydrophobicContact CD2-CE 4.28Å; Y113-M141 HydrophobicContact CD2-CG 4.23Å; Y113-M141 HydrophobicContact CE1-CB 4.01Å; Y113-M141 HydrophobicContact CE1-CG 3.57Å; Y113-M141 HydrophobicContact CE2-CG 4.1Å; Y113-M141 HydrophobicContact CG-CE 4.05Å; Y113-M141 HydrophobicContact CG-CG 4.03Å; Y113-N142 PolarHBondContact OH-N 3.03Å; Y113-N142 PolarHBondContact OH-ND2 2.91Å; Y113-N142 VanDerWaalsContact OH-ND2 3.11Å; Y113-D145 HydrophobicContact CE2-CB 3.81Å; Y113-D145 WeakPolarHBondContact CE2-OD2 3.29Å; Y113-D145 PolarHBondContact OH-OD2 3.35Å |
| 114 | C | 98.3 | Very high | 97.6 | Very high | 17 Ų | 17 | 57.1 Ų | 57.1 | 12% | 0.115 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.5 | -38.3 | 171.6 | -68.3 | 0 | 0 | 0 | 0 | 112 | L110 Q112 I117 K118 | L110-C114 WeakPolarHBondContact O-CB 3.36Å; L110-C114 PolarHBondContact O-N 2.86Å; L110-C114 PolarHBondContact O-SG 2.77Å; Q112-C114 PolarHBondContact O-N 3.36Å; C114-I117 PolarHBondContact O-N 3.02Å; C114-K118 WeakPolarHBondContact O-CB 3.36Å; C114-K118 WeakPolarHBondContact O-CG 3.43Å; C114-K118 PolarHBondContact O-N 3.43Å |
| 115 | T | 98.4 | Very high | 97.7 | Very high | 80 Ų | 80 | 60.4 Ų | 60.4 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67 | -41.5 | 176.6 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | P111 Q112 Y113 K118 K119 | P111-T115 WeakPolarHBondContact O-CB 3.4Å; P111-T115 PolarHBondContact O-N 3.16Å; P111-T115 PolarHBondContact O-OG1 3.05Å; Q112-T115 CarbonylContact O-C 3.58Å; Q112-T115 WeakPolarHBondContact O-CA 3.4Å; Q112-T115 WeakPolarHBondContact O-CB 3.45Å; Q112-T115 PolarHBondContact O-N 2.88Å; Y113-T115 VanDerWaalsContact C-N 3.27Å; Y113-T115 PolarHBondContact O-N 3.46Å; T115-K118 PolarHBondContact O-N 3.17Å; T115-K119 VanDerWaalsContact O-CB 3.26Å; T115-K119 WeakPolarHBondContact O-CB 3.3Å; T115-K119 PolarHBondContact O-N 2.93Å |
| 116 | T | 98.4 | Very high | 97.7 | Very high | 22 Ų | 22 | 62.3 Ų | 62.3 | 14% | 0.135 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 173.8 | -52.1 | 0 | 0 | 0 | 0 | 111.6 | Q112 Y113 K118 K119 A120 E138 M139 | Q112-T116 PolarHBondContact O-N 3.39Å; Q112-T116 PolarHBondContact O-OG1 3.2Å; Y113-T116 PolarHBondContact O-N 3.34Å; T116-K118 VanDerWaalsContact C-N 3.27Å; T116-K118 PolarHBondContact O-N 3.36Å; T116-K119 PolarHBondContact O-N 3.47Å; T116-A120 WeakPolarHBondContact O-CB 3.38Å; T116-A120 PolarHBondContact O-N 3.11Å; T116-E138 WeakPolarHBondContact CG2-O 3.41Å; T116-M139 HydrophobicContact CG2-CE 3.46Å; T116-M139 VanDerWaalsContact CG2-CE 3.46Å |
| 117 | I | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -53.5 | -45.4 | 175 | -73.6 | 166.6 | 0 | 0 | 0 | 111 | V92 V95 C96 L99 Y113 C114 N121 I122 M139 | V92-I117 HydrophobicContact CG1-CG2 3.73Å; V95-I117 HydrophobicContact CB-CG2 4.47Å; V95-I117 HydrophobicContact CG1-CD1 4.18Å; V95-I117 HydrophobicContact CG1-CG2 4.06Å; C96-I117 VanDerWaalsContact SG-CG2 3.6Å; L99-I117 HydrophobicContact CB-CD1 4.33Å; L99-I117 HydrophobicContact CD2-CD1 3.7Å; L99-I117 HydrophobicContact CG-CD1 4.46Å; Y113-I117 WeakPolarHBondContact O-CG1 3.16Å; Y113-I117 PolarHBondContact O-N 3.33Å; C114-I117 PolarHBondContact O-N 3.02Å; I117-N121 PolarHBondContact O-N 3.16Å; I117-N121 VanDerWaalsContact O-N 3.16Å; I117-I122 HydrophobicContact CG2-CB 4.3Å; I117-I122 PolarHBondContact O-N 3.03Å; I117-M139 HydrophobicContact CG1-CE 3.67Å; I117-M139 HydrophobicContact CG1-SD 3.9Å |
| 118 | K | 98.4 | Very high | 97.8 | Very high | 110 Ų | 110 | 54.1 Ų | 54.1 | 48% | 0.478 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70.7 | -42.6 | 179.2 | -72.5 | -178.3 | 174.8 | -157.5 | 0 | 113.3 | V92 D93 C114 T115 T116 N121 | V92-K118 HydrophobicContact CG1-CB 4.36Å; V92-K118 HydrophobicContact CG1-CG 3.69Å; D93-K118 WeakPolarHBondContact OD1-CE 3.49Å; D93-K118 IonicContact OD1-NZ 2.66Å; D93-K118 PolarHBondContact OD1-NZ 3.49Å; C114-K118 WeakPolarHBondContact O-CB 3.36Å; C114-K118 WeakPolarHBondContact O-CG 3.43Å; C114-K118 PolarHBondContact O-N 3.43Å; T115-K118 PolarHBondContact O-N 3.17Å; T116-K118 VanDerWaalsContact C-N 3.27Å; T116-K118 PolarHBondContact O-N 3.36Å; K118-N121 PolarHBondContact O-N 2.95Å |
| 119 | K | 98.3 | Very high | 97.7 | Very high | 186 Ų | 186 | 58.3 Ų | 58.3 | 81% | 0.809 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.7 | -41.6 | 178.5 | -176.4 | -173.1 | 174.6 | -166.8 | 0 | 112.5 | T115 T116 N121 | T115-K119 VanDerWaalsContact O-CB 3.26Å; T115-K119 WeakPolarHBondContact O-CB 3.3Å; T115-K119 PolarHBondContact O-N 2.93Å; T116-K119 PolarHBondContact O-N 3.47Å; K119-N121 VanDerWaalsContact C-N 3.32Å |
| 120 | A | 97.8 | Very high | 97.7 | Very high | 34 Ų | 34 | 56.5 Ų | 56.5 | 28% | 0.281 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 1.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T116 I122 E138 | T116-A120 WeakPolarHBondContact O-CB 3.38Å; T116-A120 PolarHBondContact O-N 3.11Å; A120-I122 VanDerWaalsContact C-N 3.27Å; A120-I122 HydrophobicContact CB-CD1 3.73Å; A120-I122 HydrophobicContact CB-CG1 3.77Å; A120-I122 PolarHBondContact O-N 2.8Å; A120-E138 HydrophobicContact CB-CG 3.85Å; A120-E138 WeakPolarHBondContact CB-OE1 3.49Å |
| 121 | N | 97.9 | Very high | 97.7 | Very high | 98 Ų | 98 | 60 Ų | 60 | 52% | 0.524 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 42.5 | -176.8 | -172 | 18.8 | 0 | 0 | 0 | 113.1 | V92 I117 K118 K119 N123 | V92-N121 WeakPolarHBondContact CG2-OD1 3.36Å; I117-N121 PolarHBondContact O-N 3.16Å; I117-N121 VanDerWaalsContact O-N 3.16Å; K118-N121 PolarHBondContact O-N 2.95Å; K119-N121 VanDerWaalsContact C-N 3.32Å; N121-N123 VanDerWaalsContact C-N 3.27Å; N121-N123 PolarHBondContact O-N 3.47Å; N121-N123 PolarHBondContact O-ND2 3.2Å |
| 122 | I | 98.2 | Very high | 97.7 | Very high | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | trans | -77.4 | 82.8 | -179 | -63.7 | 169.6 | 0 | 0 | 0 | 108.6 | I117 A120 L127 L135 E138 M139 | I117-I122 HydrophobicContact CG2-CB 4.3Å; I117-I122 PolarHBondContact O-N 3.03Å; A120-I122 VanDerWaalsContact C-N 3.27Å; A120-I122 HydrophobicContact CB-CD1 3.73Å; A120-I122 HydrophobicContact CB-CG1 3.77Å; A120-I122 PolarHBondContact O-N 2.8Å; I122-L127 HydrophobicContact CG2-CD1 4.11Å; I122-L127 HydrophobicContact CG2-CD2 3.49Å; I122-L127 VanDerWaalsContact CG2-CD2 3.49Å; I122-L127 HydrophobicContact CG2-CG 3.61Å; I122-L135 HydrophobicContact CD1-CD1 4.1Å; I122-L135 HydrophobicContact CG2-CD1 4.33Å; I122-E138 HydrophobicContact CD1-CG 4.13Å; I122-M139 HydrophobicContact CD1-CE 3.43Å; I122-M139 VanDerWaalsContact CD1-CE 3.43Å; I122-M139 HydrophobicContact CD1-CG 4.42Å; I122-M139 HydrophobicContact CD1-SD 3.87Å | ||
| 123 | N | 97.8 | Very high | 97.7 | Very high | 36 Ų | 36 | 56 Ų | 56 | 19% | 0.193 | 29% | 0.286 | C | S | . | . | trans | -87.8 | 170.5 | 170.6 | 61.8 | 76 | 0 | 0 | 0 | 111 | V92 N121 R125 V126 L127 | V92-N123 HydrophobicContact CG2-CB 3.88Å; N121-N123 VanDerWaalsContact C-N 3.27Å; N121-N123 PolarHBondContact O-N 3.47Å; N121-N123 PolarHBondContact O-ND2 3.2Å; N123-R125 VanDerWaalsContact C-N 3.32Å; N123-R125 PolarHBondContact O-N 2.97Å; N123-R125 WeakPolarHBondContact OD1-CB 3.43Å; N123-R125 PolarHBondContact OD1-N 2.79Å; N123-R125 VanDerWaalsContact OD1-N 3.14Å; N123-V126 WeakPolarHBondContact O-CB 3.2Å; N123-V126 PolarHBondContact O-N 2.92Å; N123-V126 VanDerWaalsContact O-N 3.1Å; N123-V126 PolarHBondContact OD1-N 3.24Å; N123-L127 PolarHBondContact O-N 3.46Å | ||
| 124 | G | 97.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.2 | -35.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L87 M90 V126 L127 A128 | L87-G124 CarbonylContact O-C 3.57Å; L87-G124 VanDerWaalsContact O-C 3.24Å; L87-G124 WeakPolarHBondContact O-CA 3.4Å; M90-G124 WeakPolarHBondContact O-CA 3.47Å; M90-G124 PolarHBondContact O-N 3.4Å; G124-V126 PolarHBondContact O-N 3.31Å; G124-L127 CarbonylContact O-C 3.59Å; G124-L127 PolarHBondContact O-N 3.48Å; G124-A128 WeakPolarHBondContact O-CB 3.47Å; G124-A128 PolarHBondContact O-N 3.45Å |
| 125 | R | 96.6 | Very high | 97.6 | Very high | 146 Ų | 146 | 60.9 Ų | 60.9 | 55% | 0.551 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67.5 | -35.4 | 176.1 | -175.9 | 176.1 | -63.6 | -94.7 | -12.3 | 112.4 | N123 | N123-R125 VanDerWaalsContact C-N 3.32Å; N123-R125 PolarHBondContact O-N 2.97Å; N123-R125 WeakPolarHBondContact OD1-CB 3.43Å; N123-R125 PolarHBondContact OD1-N 2.79Å; N123-R125 VanDerWaalsContact OD1-N 3.14Å |
| 126 | V | 97.9 | Very high | 97.6 | Very high | 59 Ų | 59 | 61.5 Ų | 61.5 | 36% | 0.358 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.5 | -49.1 | 169.7 | 177.1 | 0 | 0 | 0 | 0 | 109.4 | N123 G124 A128 Q129 C130 | N123-V126 WeakPolarHBondContact O-CB 3.2Å; N123-V126 PolarHBondContact O-N 2.92Å; N123-V126 VanDerWaalsContact O-N 3.1Å; N123-V126 PolarHBondContact OD1-N 3.24Å; G124-V126 PolarHBondContact O-N 3.31Å; V126-A128 VanDerWaalsContact C-N 3.27Å; V126-A128 PolarHBondContact O-N 3.39Å; V126-Q129 PolarHBondContact O-N 3.39Å; V126-Q129 VanDerWaalsContact O-N 3.08Å; V126-C130 HydrophobicContact CG1-CB 4.16Å; V126-C130 VanDerWaalsContact O-CB 3.29Å; V126-C130 WeakPolarHBondContact O-CB 3.43Å; V126-C130 PolarHBondContact O-N 2.74Å; V126-C130 PolarHBondContact O-SG 3.01Å; V126-C130 VanDerWaalsContact O-SG 3.37Å |
| 127 | L | 97.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.2 | -25.1 | -179.9 | -72.3 | -177.8 | 0 | 0 | 0 | 114.7 | L87 V95 I122 N123 G124 L135 F149 V153 R157 | L87-L127 HydrophobicContact CD1-CB 4.04Å; L87-L127 HydrophobicContact CD2-CB 4.28Å; L87-L127 HydrophobicContact CG-CB 4.34Å; V95-L127 HydrophobicContact CB-CD1 4.39Å; V95-L127 HydrophobicContact CG1-CD1 3.49Å; V95-L127 VanDerWaalsContact CG1-CD1 3.49Å; V95-L127 HydrophobicContact CG2-CD1 3.91Å; I122-L127 HydrophobicContact CG2-CD1 4.11Å; I122-L127 HydrophobicContact CG2-CD2 3.49Å; I122-L127 VanDerWaalsContact CG2-CD2 3.49Å; I122-L127 HydrophobicContact CG2-CG 3.61Å; N123-L127 PolarHBondContact O-N 3.46Å; G124-L127 CarbonylContact O-C 3.59Å; G124-L127 PolarHBondContact O-N 3.48Å; L127-L135 HydrophobicContact CD2-CD1 3.82Å; L127-L135 HydrophobicContact CD2-CD2 3.64Å; L127-L135 HydrophobicContact CD2-CG 4.41Å; L127-F149 HydrophobicContact CD1-CZ 4.19Å; L127-F149 HydrophobicContact CD2-CE1 4.43Å; L127-F149 HydrophobicContact CD2-CZ 3.96Å; L127-V153 HydrophobicContact CB-CG1 4.47Å; L127-V153 HydrophobicContact CD1-CG2 4.23Å; L127-V153 HydrophobicContact CD2-CG1 4.45Å; L127-V153 HydrophobicContact CD2-CG2 4.06Å; L127-R157 PolarHBondContact O-NE 3.37Å; L127-R157 PolarHBondContact O-NH2 3.06Å |
| 128 | A | 96.5 | Very high | 97.5 | Very high | 21 Ų | 21 | 73.2 Ų | 73.2 | 17% | 0.174 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -71.8 | -29.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | L87 G124 V126 R157 | L87-A128 HydrophobicContact CD2-CB 4.18Å; L87-A128 HydrophobicContact CG-CB 4.29Å; G124-A128 WeakPolarHBondContact O-CB 3.47Å; G124-A128 PolarHBondContact O-N 3.45Å; V126-A128 VanDerWaalsContact C-N 3.27Å; V126-A128 PolarHBondContact O-N 3.39Å; A128-R157 PolarHBondContact O-NE 2.97Å |
| 129 | Q | 95.8 | Very high | 97.4 | Very high | 149 Ų | 149 | 68 Ų | 68 | 70% | 0.696 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -119.7 | -22.1 | -165.1 | -61.4 | -175.1 | -5.2 | 0 | 0 | 115.3 | V126 | V126-Q129 PolarHBondContact O-N 3.39Å; V126-Q129 VanDerWaalsContact O-N 3.08Å |
| 130 | C | 96.8 | Very high | 97.3 | Very high | 27 Ų | 27 | 62.8 Ų | 62.8 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -65.4 | 154.1 | -173.5 | 68.6 | 0 | 0 | 0 | 0 | 113.3 | V126 I132 R157 | V126-C130 HydrophobicContact CG1-CB 4.16Å; V126-C130 VanDerWaalsContact O-CB 3.29Å; V126-C130 WeakPolarHBondContact O-CB 3.43Å; V126-C130 PolarHBondContact O-N 2.74Å; V126-C130 PolarHBondContact O-SG 3.01Å; V126-C130 VanDerWaalsContact O-SG 3.37Å; C130-I132 PolarHBondContact O-N 3.45Å; C130-R157 PolarHBondContact O-NH1 3.22Å; C130-R157 PolarHBondContact O-NH2 2.95Å; C130-R157 PolarHBondContact SG-NH2 2.9Å; C130-R157 VanDerWaalsContact SG-NH2 3.39Å |
| 131 | N | 97.8 | Very high | 97.3 | Very high | 77 Ų | 77 | 62.2 Ų | 62.2 | 41% | 0.412 | 31% | 0.314 | S | S | . | . | trans | -66.2 | 131 | 167.6 | -177.9 | -4 | 0 | 0 | 0 | 109.5 | D133 E134 L135 | N131-D133 VanDerWaalsContact C-N 3.29Å; N131-D133 PolarHBondContact O-N 2.98Å; N131-D133 PolarHBondContact OD1-N 2.71Å; N131-D133 VanDerWaalsContact OD1-N 3.14Å; N131-E134 HydrophobicContact CB-CB 4.12Å; N131-E134 HydrophobicContact CB-CG 4.11Å; N131-E134 PolarHBondContact ND2-OE1 3.36Å; N131-E134 PolarHBondContact O-N 3.02Å; N131-L135 WeakPolarHBondContact O-CB 3.41Å; N131-L135 PolarHBondContact O-N 3.38Å | ||
| 132 | I | 97.6 | Very high | 97.2 | Very high | 18 Ų | 18 | 61 Ų | 61 | 9% | 0.092 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.3 | -30.9 | -176.3 | -58.1 | -63.5 | 0 | 0 | 0 | 111.5 | C130 K136 W146 R150 V153 L154 | C130-I132 PolarHBondContact O-N 3.45Å; I132-K136 PolarHBondContact O-N 3.04Å; I132-W146 HydrophobicContact CG2-CH2 4.11Å; I132-W146 HydrophobicContact CG2-CZ2 3.69Å; I132-W146 WeakPolarHBondContact O-CH2 3.5Å; I132-W146 WeakPolarHBondContact O-CZ2 3.5Å; I132-R150 HydrophobicContact CG2-CG 3.88Å; I132-R150 VanDerWaalsContact CG2-CZ 3.5Å; I132-R150 VanDerWaalsContact CG2-NH1 3.29Å; I132-V153 HydrophobicContact CD1-CG1 4.27Å; I132-L154 HydrophobicContact CD1-CD2 4.15Å; I132-L154 HydrophobicContact CG1-CD2 4.32Å |
| 133 | D | 97.1 | Very high | 97.2 | Very high | 89 Ų | 89 | 68.1 Ų | 68.1 | 48% | 0.476 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -85.3 | -12.1 | -179.4 | -59.7 | -36.5 | 0 | 0 | 0 | 113.1 | N131 K137 R150 | N131-D133 VanDerWaalsContact C-N 3.29Å; N131-D133 PolarHBondContact O-N 2.98Å; N131-D133 PolarHBondContact OD1-N 2.71Å; N131-D133 VanDerWaalsContact OD1-N 3.14Å; D133-K137 WeakPolarHBondContact O-CD 3.34Å; D133-K137 VanDerWaalsContact O-CE 3.28Å; D133-K137 WeakPolarHBondContact O-CE 3.42Å; D133-K137 WeakPolarHBondContact O-CG 3.34Å; D133-R150 IonicContact OD1-NH1 2.69Å; D133-R150 PolarHBondContact OD1-NH1 3.25Å |
| 134 | E | 97.4 | Very high | 97.2 | Very high | 112 Ų | 112 | 68.3 Ų | 68.3 | 52% | 0.523 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -83.7 | -46.2 | 164.6 | -73.5 | 157.2 | -147.9 | 0 | 0 | 110.1 | N131 K136 K137 E138 | N131-E134 HydrophobicContact CB-CB 4.12Å; N131-E134 HydrophobicContact CB-CG 4.11Å; N131-E134 PolarHBondContact ND2-OE1 3.36Å; N131-E134 PolarHBondContact O-N 3.02Å; E134-K136 PolarHBondContact O-N 3.3Å; E134-K137 WeakPolarHBondContact O-CB 3.31Å; E134-K137 PolarHBondContact O-N 2.59Å; E134-E138 PolarHBondContact O-N 2.85Å |
| 135 | L | 97.8 | Very high | 97.3 | Very high | 9 Ų | 9 | 68.8 Ų | 68.8 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -54.8 | -36.8 | 172.8 | -177.2 | 66.9 | 0 | 0 | 0 | 111.9 | I122 L127 N131 K137 E138 M139 W146 F149 | I122-L135 HydrophobicContact CD1-CD1 4.1Å; I122-L135 HydrophobicContact CG2-CD1 4.33Å; L127-L135 HydrophobicContact CD2-CD1 3.82Å; L127-L135 HydrophobicContact CD2-CD2 3.64Å; L127-L135 HydrophobicContact CD2-CG 4.41Å; N131-L135 WeakPolarHBondContact O-CB 3.41Å; N131-L135 PolarHBondContact O-N 3.38Å; L135-K137 VanDerWaalsContact C-N 3.34Å; L135-K137 PolarHBondContact O-N 2.89Å; L135-E138 PolarHBondContact O-N 2.81Å; L135-M139 HydrophobicContact CD1-CG 3.74Å; L135-M139 HydrophobicContact CD1-SD 4.3Å; L135-M139 HydrophobicContact CG-CG 4.03Å; L135-M139 VanDerWaalsContact O-CB 3.29Å; L135-M139 WeakPolarHBondContact O-CB 3.46Å; L135-M139 WeakPolarHBondContact O-CG 3.46Å; L135-M139 PolarHBondContact O-N 3.06Å; L135-W146 HydrophobicContact CB-CH2 4.09Å; L135-W146 HydrophobicContact CD2-CH2 4.06Å; L135-W146 HydrophobicContact CD2-CZ3 4.32Å; L135-W146 HydrophobicContact CG-CH2 3.92Å; L135-W146 HydrophobicContact CG-CZ3 4.02Å; L135-F149 HydrophobicContact CD1-CE1 4.41Å; L135-F149 HydrophobicContact CD2-CE1 3.99Å; L135-F149 HydrophobicContact CG-CE1 4.3Å |
| 136 | K | 97.7 | Very high | 97.4 | Very high | 92 Ų | 92 | 62 Ų | 62 | 40% | 0.4 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.3 | -44.1 | 173.7 | -171.3 | 174.7 | -175.2 | -179.1 | 0 | 112.8 | I132 E134 A140 W146 | I132-K136 PolarHBondContact O-N 3.04Å; E134-K136 PolarHBondContact O-N 3.3Å; K136-A140 PolarHBondContact O-N 3.11Å; K136-W146 VanDerWaalsContact CA-CH2 3.49Å; K136-W146 HydrophobicContact CB-CD2 4.16Å; K136-W146 HydrophobicContact CB-CE3 4.41Å; K136-W146 HydrophobicContact CB-CH2 3.8Å; K136-W146 HydrophobicContact CB-CZ2 3.49Å; K136-W146 VanDerWaalsContact CB-CZ2 3.49Å; K136-W146 HydrophobicContact CB-CZ3 4.25Å; K136-W146 HydrophobicContact CD-CD2 4.41Å; K136-W146 HydrophobicContact CD-CG 4.45Å; K136-W146 HydrophobicContact CD-CZ2 4.41Å; K136-W146 HydrophobicContact CG-CD2 3.81Å; K136-W146 HydrophobicContact CG-CE3 4.36Å; K136-W146 HydrophobicContact CG-CG 4.17Å; K136-W146 HydrophobicContact CG-CZ2 3.96Å; K136-W146 VanDerWaalsContact N-CH2 3.33Å |
| 137 | K | 97.4 | Very high | 97.4 | Very high | 163 Ų | 163 | 63.2 Ų | 63.2 | 71% | 0.709 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -70.7 | -43.1 | -178.1 | -64 | 164.7 | -170.7 | 167.2 | 0 | 110.6 | D133 E134 L135 | D133-K137 WeakPolarHBondContact O-CD 3.34Å; D133-K137 VanDerWaalsContact O-CE 3.28Å; D133-K137 WeakPolarHBondContact O-CE 3.42Å; D133-K137 WeakPolarHBondContact O-CG 3.34Å; E134-K137 WeakPolarHBondContact O-CB 3.31Å; E134-K137 PolarHBondContact O-N 2.59Å; L135-K137 VanDerWaalsContact C-N 3.34Å; L135-K137 PolarHBondContact O-N 2.89Å |
| 138 | E | 97.8 | Very high | 97.4 | Very high | 105 Ų | 105 | 66.1 Ų | 66.1 | 49% | 0.491 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 179.1 | -167.4 | 60.7 | -149.8 | 0 | 0 | 111.9 | T116 A120 I122 E134 L135 | T116-E138 WeakPolarHBondContact CG2-O 3.41Å; A120-E138 HydrophobicContact CB-CG 3.85Å; A120-E138 WeakPolarHBondContact CB-OE1 3.49Å; I122-E138 HydrophobicContact CD1-CG 4.13Å; E134-E138 PolarHBondContact O-N 2.85Å; L135-E138 PolarHBondContact O-N 2.81Å |
| 139 | M | 97.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -74.9 | -27.4 | -177.5 | -65.9 | -86.1 | 64.6 | 0 | 0 | 114.1 | T116 I117 I122 L135 M141 W146 F149 | T116-M139 HydrophobicContact CG2-CE 3.46Å; T116-M139 VanDerWaalsContact CG2-CE 3.46Å; I117-M139 HydrophobicContact CG1-CE 3.67Å; I117-M139 HydrophobicContact CG1-SD 3.9Å; I122-M139 HydrophobicContact CD1-CE 3.43Å; I122-M139 VanDerWaalsContact CD1-CE 3.43Å; I122-M139 HydrophobicContact CD1-CG 4.42Å; I122-M139 HydrophobicContact CD1-SD 3.87Å; L135-M139 HydrophobicContact CD1-CG 3.74Å; L135-M139 HydrophobicContact CD1-SD 4.3Å; L135-M139 HydrophobicContact CG-CG 4.03Å; L135-M139 VanDerWaalsContact O-CB 3.29Å; L135-M139 WeakPolarHBondContact O-CB 3.46Å; L135-M139 WeakPolarHBondContact O-CG 3.46Å; L135-M139 PolarHBondContact O-N 3.06Å; M139-M141 HydrophobicContact CB-CE 4.2Å; M139-M141 HydrophobicContact CB-CG 4.08Å; M139-M141 HydrophobicContact CB-SD 4Å; M139-M141 HydrophobicContact CG-CE 4.39Å; M139-M141 PolarHBondContact O-N 3.28Å; M139-M141 HydrophobicContact SD-CE 3.84Å; M139-W146 HydrophobicContact CB-CE3 4.45Å; M139-W146 HydrophobicContact CB-CZ3 4.32Å; M139-W146 HydrophobicContact CG-CZ3 4.29Å; M139-F149 HydrophobicContact CG-CD1 4.45Å; M139-F149 HydrophobicContact CG-CE1 3.89Å; M139-F149 HydrophobicContact SD-CD1 4.4Å; M139-F149 HydrophobicContact SD-CE1 3.6Å; M139-F149 VanDerWaalsContact SD-CE1 3.6Å; M139-F149 HydrophobicContact SD-CZ 3.94Å |
| 140 | A | 95.8 | Very high | 97.6 | Very high | 77 Ų | 77 | 61.9 Ų | 61.9 | 64% | 0.636 | 32% | 0.316 | S | S | * | . | trans | 49.2 | 31.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | K136 | K136-A140 PolarHBondContact O-N 3.11Š| ||
| 141 | M | 97.3 | Very high | 97.7 | Very high | 21 Ų | 21 | 63.9 Ų | 63.9 | 10% | 0.103 | 33% | 0.331 | C | S | . | . | trans | -72.5 | 154.8 | -179 | -74 | 165.3 | 174.6 | 0 | 0 | 112.5 | L99 Y113 M139 D145 W146 F149 | L99-M141 HydrophobicContact CD1-CE 3.77Å; L99-M141 HydrophobicContact CD2-CE 4.32Å; Y113-M141 HydrophobicContact CD1-CG 3.7Å; Y113-M141 HydrophobicContact CD2-CE 4.28Å; Y113-M141 HydrophobicContact CD2-CG 4.23Å; Y113-M141 HydrophobicContact CE1-CB 4.01Å; Y113-M141 HydrophobicContact CE1-CG 3.57Å; Y113-M141 HydrophobicContact CE2-CG 4.1Å; Y113-M141 HydrophobicContact CG-CE 4.05Å; Y113-M141 HydrophobicContact CG-CG 4.03Å; M139-M141 HydrophobicContact CB-CE 4.2Å; M139-M141 HydrophobicContact CB-CG 4.08Å; M139-M141 HydrophobicContact CB-SD 4Å; M139-M141 HydrophobicContact CG-CE 4.39Å; M139-M141 PolarHBondContact O-N 3.28Å; M139-M141 HydrophobicContact SD-CE 3.84Å; M141-D145 HydrophobicContact CB-CB 4.23Å; M141-W146 HydrophobicContact CB-CB 3.94Å; M141-W146 HydrophobicContact SD-CE3 4.1Å; M141-F149 HydrophobicContact CE-CB 4.2Å; M141-F149 HydrophobicContact CE-CD1 3.8Å; M141-F149 HydrophobicContact CE-CD2 4.36Å; M141-F149 HydrophobicContact CE-CE1 4.22Å; M141-F149 HydrophobicContact CE-CG 3.86Å; M141-F149 HydrophobicContact SD-CB 3.83Å; M141-F149 HydrophobicContact SD-CD1 3.73Å; M141-F149 HydrophobicContact SD-CG 3.95Å | ||
| 142 | N | 97.1 | Very high | 97.6 | Very high | 74 Ų | 74 | 61.3 Ų | 61.3 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | trans | -53 | 154.6 | 164.8 | -63 | -41.9 | 0 | 0 | 0 | 110.6 | Y113 G144 D145 W146 | Y113-N142 PolarHBondContact OH-N 3.03Å; Y113-N142 PolarHBondContact OH-ND2 2.91Å; Y113-N142 VanDerWaalsContact OH-ND2 3.11Å; N142-G144 VanDerWaalsContact C-N 3.32Å; N142-G144 PolarHBondContact O-N 2.66Å; N142-D145 HydrophobicContact CB-CB 4.33Å; N142-D145 WeakPolarHBondContact CB-OD2 3.35Å; N142-D145 PolarHBondContact ND2-OD2 3Å; N142-D145 PolarHBondContact O-N 3.4Å; N142-W146 VanDerWaalsContact O-CB 3.27Å; N142-W146 WeakPolarHBondContact O-CB 3.39Å; N142-W146 PolarHBondContact O-N 3.42Å | ||
| 143 | F | 97.9 | Very high | 97.6 | Very high | 154 Ų | 154 | 60.5 Ų | 60.5 | 68% | 0.675 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -54.7 | -44.4 | -177.9 | 179.5 | -96.2 | 0 | 0 | 0 | 113.3 | H147 | F143-H147 AromaticContact CE2-CD2 3.75Å; F143-H147 AromaticContact CE2-NE2 3.57Å; F143-H147 AromaticContact CZ-CD2 3.68Å; F143-H147 AromaticContact CZ-NE2 3.58Å; F143-H147 PolarHBondContact O-CD2 3.29Å; F143-H147 PolarHBondContact O-N 3.41Å |
| 144 | G | 97.9 | Very high | 97.6 | Very high | 40 Ų | 40 | 59.9 Ų | 59.9 | 41% | 0.412 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.1 | -57.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N142 W146 H147 L148 | N142-G144 VanDerWaalsContact C-N 3.32Å; N142-G144 PolarHBondContact O-N 2.66Å; G144-W146 PolarHBondContact O-N 3.01Å; G144-H147 WeakPolarHBondContact O-CA 3.35Å; G144-H147 PolarHBondContact O-N 3.3Å; G144-L148 PolarHBondContact O-N 2.79Å |
| 145 | D | 98.3 | Very high | 97.5 | Very high | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.048 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -52.7 | -42.3 | 178.8 | -59 | -33.5 | 0 | 0 | 0 | 112.2 | L105 D106 Y113 M141 N142 H147 L148 F149 | L105-D145 WeakPolarHBondContact CA-OD1 3.14Å; L105-D145 HydrophobicContact CD1-CB 4.36Å; L105-D145 HydrophobicContact CG-CB 4.25Å; D106-D145 PolarHBondContact N-OD1 3.21Å; Y113-D145 HydrophobicContact CE2-CB 3.81Å; Y113-D145 WeakPolarHBondContact CE2-OD2 3.29Å; Y113-D145 PolarHBondContact OH-OD2 3.35Å; M141-D145 HydrophobicContact CB-CB 4.23Å; N142-D145 HydrophobicContact CB-CB 4.33Å; N142-D145 WeakPolarHBondContact CB-OD2 3.35Å; N142-D145 PolarHBondContact ND2-OD2 3Å; N142-D145 PolarHBondContact O-N 3.4Å; D145-H147 PolarHBondContact O-N 3.19Å; D145-L148 PolarHBondContact O-N 3Å; D145-F149 WeakPolarHBondContact O-CB 3.34Å; D145-F149 PolarHBondContact O-N 3.22Å |
| 146 | W | 98.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 61 Ų | 61 | 1% | 0.011 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.1 | -44 | 175.1 | 171.9 | -107.3 | 0 | 0 | 0 | 112.4 | I132 L135 K136 M139 M141 N142 G144 F149 R150 | I132-W146 HydrophobicContact CG2-CH2 4.11Å; I132-W146 HydrophobicContact CG2-CZ2 3.69Å; I132-W146 WeakPolarHBondContact O-CH2 3.5Å; I132-W146 WeakPolarHBondContact O-CZ2 3.5Å; L135-W146 HydrophobicContact CB-CH2 4.09Å; L135-W146 HydrophobicContact CD2-CH2 4.06Å; L135-W146 HydrophobicContact CD2-CZ3 4.32Å; L135-W146 HydrophobicContact CG-CH2 3.92Å; L135-W146 HydrophobicContact CG-CZ3 4.02Å; K136-W146 VanDerWaalsContact CA-CH2 3.49Å; K136-W146 HydrophobicContact CB-CD2 4.16Å; K136-W146 HydrophobicContact CB-CE3 4.41Å; K136-W146 HydrophobicContact CB-CH2 3.8Å; K136-W146 HydrophobicContact CB-CZ2 3.49Å; K136-W146 VanDerWaalsContact CB-CZ2 3.49Å; K136-W146 HydrophobicContact CB-CZ3 4.25Å; K136-W146 HydrophobicContact CD-CD2 4.41Å; K136-W146 HydrophobicContact CD-CG 4.45Å; K136-W146 HydrophobicContact CD-CZ2 4.41Å; K136-W146 HydrophobicContact CG-CD2 3.81Å; K136-W146 HydrophobicContact CG-CE3 4.36Å; K136-W146 HydrophobicContact CG-CG 4.17Å; K136-W146 HydrophobicContact CG-CZ2 3.96Å; K136-W146 VanDerWaalsContact N-CH2 3.33Å; M139-W146 HydrophobicContact CB-CE3 4.45Å; M139-W146 HydrophobicContact CB-CZ3 4.32Å; M139-W146 HydrophobicContact CG-CZ3 4.29Å; M141-W146 HydrophobicContact CB-CB 3.94Å; M141-W146 HydrophobicContact SD-CE3 4.1Å; N142-W146 VanDerWaalsContact O-CB 3.27Å; N142-W146 WeakPolarHBondContact O-CB 3.39Å; N142-W146 PolarHBondContact O-N 3.42Å; G144-W146 PolarHBondContact O-N 3.01Å; W146-F149 HydrophobicContact CE3-CD1 4.2Å; W146-F149 AromaticContact CZ3-CD1 3.87Å; W146-F149 HydrophobicContact CZ3-CD1 3.87Å; W146-F149 HydrophobicContact CZ3-CE1 4.32Å; W146-R150 HydrophobicContact CH2-CB 4.47Å; W146-R150 HydrophobicContact CZ2-CB 4.02Å; W146-R150 HydrophobicContact CZ2-CG 4.26Å; W146-R150 WeakPolarHBondContact O-CB 3.14Å; W146-R150 PolarHBondContact O-N 3.07Å |
| 147 | H | 98.4 | Very high | 97.2 | Very high | 85 Ų | 85 | 58.8 Ų | 58.8 | 39% | 0.394 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.2 | -36.7 | 178.9 | -92.9 | -85 | 0 | 0 | 0 | 112.1 | F143 G144 D145 S151 | F143-H147 AromaticContact CE2-CD2 3.75Å; F143-H147 AromaticContact CE2-NE2 3.57Å; F143-H147 AromaticContact CZ-CD2 3.68Å; F143-H147 AromaticContact CZ-NE2 3.58Å; F143-H147 PolarHBondContact O-CD2 3.29Å; F143-H147 PolarHBondContact O-N 3.41Å; G144-H147 WeakPolarHBondContact O-CA 3.35Å; G144-H147 PolarHBondContact O-N 3.3Å; D145-H147 PolarHBondContact O-N 3.19Å; H147-S151 WeakPolarHBondContact O-CB 3.4Å; H147-S151 PolarHBondContact O-N 3.07Å; H147-S151 PolarHBondContact O-OG 2.91Å |
| 148 | L | 98.4 | Very high | 97 | Very high | 63 Ų | 63 | 54 Ų | 54 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.4 | -49.9 | 174.1 | -60.5 | 171.2 | 0 | 0 | 0 | 111.4 | I102 L105 G144 D145 R150 S151 M152 | I102-L148 HydrophobicContact CG2-CB 3.59Å; I102-L148 HydrophobicContact CG2-CD1 4.2Å; I102-L148 HydrophobicContact CG2-CG 4.4Å; L105-L148 HydrophobicContact CB-CD1 4.24Å; G144-L148 PolarHBondContact O-N 2.79Å; D145-L148 PolarHBondContact O-N 3Å; L148-R150 PolarHBondContact O-N 3.38Å; L148-S151 WeakPolarHBondContact O-CB 3.3Å; L148-S151 PolarHBondContact O-N 2.99Å; L148-S151 VanDerWaalsContact O-N 3.14Å; L148-M152 PolarHBondContact O-N 2.9Å |
| 149 | F | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 177.6 | 179.6 | -115.6 | 0 | 0 | 0 | 112.8 | L99 I102 L127 L135 M139 M141 D145 W146 S151 M152 V153 | L99-F149 HydrophobicContact CD1-CB 4.28Å; L99-F149 HydrophobicContact CD1-CD2 3.38Å; L99-F149 HydrophobicContact CD1-CE2 3.91Å; L99-F149 HydrophobicContact CD1-CG 4.02Å; I102-F149 HydrophobicContact CD1-CB 4.21Å; I102-F149 HydrophobicContact CD1-CD2 4.13Å; L127-F149 HydrophobicContact CD1-CZ 4.19Å; L127-F149 HydrophobicContact CD2-CE1 4.43Å; L127-F149 HydrophobicContact CD2-CZ 3.96Å; L135-F149 HydrophobicContact CD1-CE1 4.41Å; L135-F149 HydrophobicContact CD2-CE1 3.99Å; L135-F149 HydrophobicContact CG-CE1 4.3Å; M139-F149 HydrophobicContact CG-CD1 4.45Å; M139-F149 HydrophobicContact CG-CE1 3.89Å; M139-F149 HydrophobicContact SD-CD1 4.4Å; M139-F149 HydrophobicContact SD-CE1 3.6Å; M139-F149 VanDerWaalsContact SD-CE1 3.6Å; M139-F149 HydrophobicContact SD-CZ 3.94Å; M141-F149 HydrophobicContact CE-CB 4.2Å; M141-F149 HydrophobicContact CE-CD1 3.8Å; M141-F149 HydrophobicContact CE-CD2 4.36Å; M141-F149 HydrophobicContact CE-CE1 4.22Å; M141-F149 HydrophobicContact CE-CG 3.86Å; M141-F149 HydrophobicContact SD-CB 3.83Å; M141-F149 HydrophobicContact SD-CD1 3.73Å; M141-F149 HydrophobicContact SD-CG 3.95Å; D145-F149 WeakPolarHBondContact O-CB 3.34Å; D145-F149 PolarHBondContact O-N 3.22Å; W146-F149 HydrophobicContact CE3-CD1 4.2Å; W146-F149 AromaticContact CZ3-CD1 3.87Å; W146-F149 HydrophobicContact CZ3-CD1 3.87Å; W146-F149 HydrophobicContact CZ3-CE1 4.32Å; F149-S151 VanDerWaalsContact C-N 3.26Å; F149-S151 PolarHBondContact O-N 3.14Å; F149-M152 HydrophobicContact CD2-CE 3.72Å; F149-M152 HydrophobicContact CE2-CE 3.69Å; F149-M152 PolarHBondContact O-N 3.49Å; F149-V153 HydrophobicContact CD1-CG2 4.48Å; F149-V153 HydrophobicContact CD2-CG2 4.25Å; F149-V153 HydrophobicContact CE1-CG2 4.14Å; F149-V153 HydrophobicContact CE2-CG2 3.91Å; F149-V153 HydrophobicContact CZ-CG2 3.85Å; F149-V153 WeakPolarHBondContact O-CG2 3.33Å; F149-V153 PolarHBondContact O-N 3.3Å |
| 150 | R | 98.1 | Very high | 96.1 | Very high | 80 Ų | 80 | 53.4 Ų | 53.4 | 30% | 0.302 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.4 | -38 | 173.2 | 177 | 173.5 | 173.5 | 138.9 | -1.1 | 111.7 | I132 D133 W146 L148 L154 | I132-R150 HydrophobicContact CG2-CG 3.88Å; I132-R150 VanDerWaalsContact CG2-CZ 3.5Å; I132-R150 VanDerWaalsContact CG2-NH1 3.29Å; D133-R150 IonicContact OD1-NH1 2.69Å; D133-R150 PolarHBondContact OD1-NH1 3.25Å; W146-R150 HydrophobicContact CH2-CB 4.47Å; W146-R150 HydrophobicContact CZ2-CB 4.02Å; W146-R150 HydrophobicContact CZ2-CG 4.26Å; W146-R150 WeakPolarHBondContact O-CB 3.14Å; W146-R150 PolarHBondContact O-N 3.07Å; L148-R150 PolarHBondContact O-N 3.38Å; R150-L154 HydrophobicContact CG-CD1 3.89Å; R150-L154 WeakPolarHBondContact O-CB 3.4Å; R150-L154 VanDerWaalsContact O-CG 3.25Å; R150-L154 WeakPolarHBondContact O-CG 3.38Å; R150-L154 PolarHBondContact O-N 3.19Å; R150-L154 VanDerWaalsContact O-N 3.07Å |
| 151 | S | 97.9 | Very high | 95.4 | Very high | 70 Ų | 70 | 55.7 Ų | 55.7 | 49% | 0.49 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.5 | -50 | 178 | -57.5 | 0 | 0 | 0 | 0 | 111 | H147 L148 F149 V153 L154 E155 | H147-S151 WeakPolarHBondContact O-CB 3.4Å; H147-S151 PolarHBondContact O-N 3.07Å; H147-S151 PolarHBondContact O-OG 2.91Å; L148-S151 WeakPolarHBondContact O-CB 3.3Å; L148-S151 PolarHBondContact O-N 2.99Å; L148-S151 VanDerWaalsContact O-N 3.14Å; F149-S151 VanDerWaalsContact C-N 3.26Å; F149-S151 PolarHBondContact O-N 3.14Å; S151-V153 VanDerWaalsContact C-N 3.34Å; S151-V153 PolarHBondContact O-N 3.46Å; S151-L154 PolarHBondContact O-N 3.07Å; S151-E155 WeakPolarHBondContact O-CB 3.28Å; S151-E155 PolarHBondContact O-N 3.35Å |
| 152 | M | 96.9 | Very high | 94 | Very high | 23 Ų | 23 | 62.4 Ų | 62.4 | 11% | 0.113 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.1 | -45 | 175 | -176 | -164.6 | 73 | 0 | 0 | 112.1 | K98 I102 L148 F149 L154 M156 | K98-M152 HydrophobicContact CB-CE 4.28Å; K98-M152 HydrophobicContact CB-SD 3.97Å; I102-M152 HydrophobicContact CD1-CB 4.1Å; I102-M152 HydrophobicContact CD1-CE 4.18Å; I102-M152 HydrophobicContact CD1-SD 3.72Å; I102-M152 HydrophobicContact CG1-SD 3.81Å; L148-M152 PolarHBondContact O-N 2.9Å; F149-M152 HydrophobicContact CD2-CE 3.72Å; F149-M152 HydrophobicContact CE2-CE 3.69Å; F149-M152 PolarHBondContact O-N 3.49Å; M152-L154 PolarHBondContact O-N 3.29Å; M152-M156 VanDerWaalsContact O-CB 3.31Å; M152-M156 WeakPolarHBondContact O-CB 3.38Å; M152-M156 WeakPolarHBondContact O-CG 3.4Å; M152-M156 PolarHBondContact O-N 3.07Å |
| 153 | V | 97.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 179.8 | 171.3 | 0 | 0 | 0 | 0 | 111.8 | L127 I132 F149 S151 R157 | L127-V153 HydrophobicContact CB-CG1 4.47Å; L127-V153 HydrophobicContact CD1-CG2 4.23Å; L127-V153 HydrophobicContact CD2-CG1 4.45Å; L127-V153 HydrophobicContact CD2-CG2 4.06Å; I132-V153 HydrophobicContact CD1-CG1 4.27Å; F149-V153 HydrophobicContact CD1-CG2 4.48Å; F149-V153 HydrophobicContact CD2-CG2 4.25Å; F149-V153 HydrophobicContact CE1-CG2 4.14Å; F149-V153 HydrophobicContact CE2-CG2 3.91Å; F149-V153 HydrophobicContact CZ-CG2 3.85Å; F149-V153 WeakPolarHBondContact O-CG2 3.33Å; F149-V153 PolarHBondContact O-N 3.3Å; S151-V153 VanDerWaalsContact C-N 3.34Å; S151-V153 PolarHBondContact O-N 3.46Å; V153-R157 WeakPolarHBondContact O-CG 3.46Å; V153-R157 PolarHBondContact O-N 2.83Å; V153-R157 VanDerWaalsContact O-N 3.07Å |
| 154 | L | 96.6 | Very high | 89.6 | Confident | 76 Ų | 76 | 60 Ų | 60 | 40% | 0.398 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -74.1 | -39.7 | 178.6 | -70.3 | 171.8 | 0 | 0 | 0 | 112.6 | I132 R150 S151 M152 R157 S158 | I132-L154 HydrophobicContact CD1-CD2 4.15Å; I132-L154 HydrophobicContact CG1-CD2 4.32Å; R150-L154 HydrophobicContact CG-CD1 3.89Å; R150-L154 WeakPolarHBondContact O-CB 3.4Å; R150-L154 VanDerWaalsContact O-CG 3.25Å; R150-L154 WeakPolarHBondContact O-CG 3.38Å; R150-L154 PolarHBondContact O-N 3.19Å; R150-L154 VanDerWaalsContact O-N 3.07Å; S151-L154 PolarHBondContact O-N 3.07Å; M152-L154 PolarHBondContact O-N 3.29Å; L154-R157 PolarHBondContact O-N 3.49Å; L154-S158 PolarHBondContact O-N 2.89Å |
| 155 | E | 95 | Very high | 87.2 | Confident | 115 Ų | 115 | 63.3 Ų | 63.3 | 54% | 0.537 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 171.5 | 177.8 | 177.5 | -146.4 | 0 | 0 | 111.1 | S151 R157 S158 V159 | S151-E155 WeakPolarHBondContact O-CB 3.28Å; S151-E155 PolarHBondContact O-N 3.35Å; E155-R157 VanDerWaalsContact C-N 3.32Å; E155-R157 PolarHBondContact O-N 2.95Å; E155-S158 PolarHBondContact O-N 3.33Å; E155-S158 PolarHBondContact O-OG 3.04Å; E155-V159 WeakPolarHBondContact O-CG2 3.27Å; E155-V159 PolarHBondContact O-N 3.48Å |
| 156 | M | 93.8 | Very high | 84.8 | Confident | 31 Ų | 31 | 71.3 Ų | 71.3 | 15% | 0.153 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.5 | -30.7 | 177.3 | -76.4 | -154.2 | 72.1 | 0 | 0 | 113.4 | L85 L87 M90 M152 E160 | L85-M156 WeakPolarHBondContact O-CE 3.11Å; L87-M156 HydrophobicContact CB-CB 4.13Å; L87-M156 HydrophobicContact CB-CE 4.06Å; L87-M156 HydrophobicContact CD1-CB 4.09Å; L87-M156 HydrophobicContact CD1-CE 4.07Å; L87-M156 HydrophobicContact CD1-SD 4.01Å; L87-M156 HydrophobicContact CD2-CB 3.91Å; L87-M156 HydrophobicContact CG-CB 4.26Å; M90-M156 HydrophobicContact CE-CE 3.31Å; M90-M156 HydrophobicContact CE-SD 4.06Å; M90-M156 HydrophobicContact SD-CE 3.78Å; M90-M156 HydrophobicContact SD-SD 4.16Å; M152-M156 VanDerWaalsContact O-CB 3.31Å; M152-M156 WeakPolarHBondContact O-CB 3.38Å; M152-M156 WeakPolarHBondContact O-CG 3.4Å; M152-M156 PolarHBondContact O-N 3.07Å; M156-E160 WeakPolarHBondContact O-CB 3.45Å; M156-E160 PolarHBondContact O-N 3.14Å |
| 157 | R | 95.4 | Very high | 81.6 | Confident | 45 Ų | 45 | 75.7 Ų | 75.7 | 17% | 0.17 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.8 | -40.7 | 170.7 | -77.1 | 179 | -169.1 | -158.9 | 1.3 | 112.6 | L87 L127 A128 C130 V153 L154 E155 E160 N161 | L87-R157 HydrophobicContact CD2-CG 3.76Å; L127-R157 PolarHBondContact O-NE 3.37Å; L127-R157 PolarHBondContact O-NH2 3.06Å; A128-R157 PolarHBondContact O-NE 2.97Å; C130-R157 PolarHBondContact O-NH1 3.22Å; C130-R157 PolarHBondContact O-NH2 2.95Å; C130-R157 PolarHBondContact SG-NH2 2.9Å; C130-R157 VanDerWaalsContact SG-NH2 3.39Å; V153-R157 WeakPolarHBondContact O-CG 3.46Å; V153-R157 PolarHBondContact O-N 2.83Å; V153-R157 VanDerWaalsContact O-N 3.07Å; L154-R157 PolarHBondContact O-N 3.49Å; E155-R157 VanDerWaalsContact C-N 3.32Å; E155-R157 PolarHBondContact O-N 2.95Å; R157-E160 PolarHBondContact O-N 3.33Å; R157-N161 WeakPolarHBondContact O-CB 3.49Å; R157-N161 VanDerWaalsContact O-CG 3.27Å; R157-N161 PolarHBondContact O-N 3.23Å; R157-N161 PolarHBondContact O-ND2 2.88Å |
| 158 | S | 93.1 | Very high | 78.8 | Confident | 61 Ų | 61 | 77.6 Ų | 77.6 | 43% | 0.427 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -70.6 | -36.7 | 179.5 | 64.9 | 0 | 0 | 0 | 0 | 111.9 | L154 E155 Q162 | L154-S158 PolarHBondContact O-N 2.89Å; E155-S158 PolarHBondContact O-N 3.33Å; E155-S158 PolarHBondContact O-OG 3.04Å; S158-Q162 WeakPolarHBondContact O-CG 3.25Å; S158-Q162 PolarHBondContact O-N 2.89Å |
| 159 | V | 88.9 | Confident | 75.7 | Confident | 69 Ų | 69 | 82.2 Ų | 82.2 | 42% | 0.418 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.2 | -48.4 | 171.3 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | E155 N161 Q162 V163 | E155-V159 WeakPolarHBondContact O-CG2 3.27Å; E155-V159 PolarHBondContact O-N 3.48Å; V159-N161 PolarHBondContact O-N 3.22Å; V159-Q162 PolarHBondContact O-N 3.26Å; V159-V163 VanDerWaalsContact O-CG2 3.3Å; V159-V163 WeakPolarHBondContact O-CG2 3.45Å; V159-V163 PolarHBondContact O-N 3.49Å |
| 160 | E | 88.3 | Confident | 72.7 | Confident | 25 Ų | 25 | 90.8 Ų | 90.8 | 12% | 0.117 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 179.2 | -178.3 | 165 | -129 | 0 | 0 | 112.7 | L86 L87 S88 M156 R157 Q162 V163 | L86-E160 WeakPolarHBondContact CB-OE1 3.5Å; L86-E160 HydrophobicContact CD2-CG 4.46Å; L86-E160 HydrophobicContact CG-CG 4.4Å; L87-E160 WeakPolarHBondContact CB-OE2 3.46Å; L87-E160 PolarHBondContact N-OE1 2.93Å; S88-E160 WeakPolarHBondContact CB-OE1 3.33Å; S88-E160 VanDerWaalsContact N-CD 3.34Å; S88-E160 PolarHBondContact N-OE1 2.82Å; S88-E160 PolarHBondContact N-OE2 3.41Å; S88-E160 PolarHBondContact OG-OE1 3.16Å; M156-E160 WeakPolarHBondContact O-CB 3.45Å; M156-E160 PolarHBondContact O-N 3.14Å; R157-E160 PolarHBondContact O-N 3.33Å; E160-Q162 PolarHBondContact O-N 3.36Å; E160-V163 PolarHBondContact O-N 2.66Å |
| 161 | N | 79.9 | Confident | 69.6 | Low | 125 Ų | 125 | 95.4 Ų | 95.4 | 67% | 0.668 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.4 | -22.7 | 177.3 | -75.1 | -18 | 0 | 0 | 0 | 113.9 | R157 V159 V163 | R157-N161 WeakPolarHBondContact O-CB 3.49Å; R157-N161 VanDerWaalsContact O-CG 3.27Å; R157-N161 PolarHBondContact O-N 3.23Å; R157-N161 PolarHBondContact O-ND2 2.88Å; V159-N161 PolarHBondContact O-N 3.22Å; N161-V163 VanDerWaalsContact C-N 3.34Å |
| 162 | Q | 68.5 | Low | 66.3 | Low | 162 Ų | 162 | 98.8 Ų | 98.8 | 76% | 0.757 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -4 | 172.4 | -69.7 | -175.4 | 106.4 | 0 | 0 | 113.2 | S158 V159 E160 | S158-Q162 WeakPolarHBondContact O-CG 3.25Å; S158-Q162 PolarHBondContact O-N 2.89Å; V159-Q162 PolarHBondContact O-N 3.26Å; E160-Q162 PolarHBondContact O-N 3.36Å |
| 163 | V | 59.2 | Low | 63.1 | Low | 73 Ų | 73 | 105.8 Ų | 105.8 | 44% | 0.442 | 55% | 0.545 | S | S | . | . | trans | -106.1 | 29.7 | -177.6 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | L86 V159 E160 N161 P165 | L86-V163 HydrophobicContact CD1-CG1 3.95Å; L86-V163 HydrophobicContact CD2-CG1 4.29Å; L86-V163 HydrophobicContact CG-CG1 4.26Å; V159-V163 VanDerWaalsContact O-CG2 3.3Å; V159-V163 WeakPolarHBondContact O-CG2 3.45Å; V159-V163 PolarHBondContact O-N 3.49Å; E160-V163 PolarHBondContact O-N 2.66Å; N161-V163 VanDerWaalsContact C-N 3.34Å; V163-P165 WeakPolarHBondContact O-CD 3.42Å | ||
| 164 | V | 42.8 | Very low | 60 | Low | 106 Ų | 106 | 111.4 Ų | 111.4 | 64% | 0.642 | 58% | 0.575 | S | S | * | * | trans | -101.4 | 96 | 166.9 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 165 | P | 47.9 | Very low | 56.7 | Low | 108 Ų | 108 | 112 Ų | 112 | 70% | 0.701 | 59% | 0.586 | S | S | * | * | trans | -78.5 | 125.2 | 175.2 | 30.5 | -34 | 0 | 0 | 0 | 111.6 | V163 | V163-P165 WeakPolarHBondContact O-CD 3.42Š| ||
| 166 | E | 47.9 | Very low | 53.6 | Low | 178 Ų | 178 | 112.2 Ų | 112.2 | 83% | 0.832 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -74.5 | 123.1 | 164.4 | -74.7 | -74.6 | 123.1 | 0 | 0 | 110.2 | ||
| 167 | D | 30.4 | Very low | 50.5 | Low | 94 Ų | 94 | 115 Ų | 115 | 50% | 0.503 | 63% | 0.628 | S | S | . | * | trans | 53.9 | 99.9 | 170.5 | -161.1 | 15.8 | 0 | 0 | 0 | 119.4 | R169 | D167-R169 PolarHBondContact O-N 2.96Å; D167-R169 WeakPolarHBondContact OD1-CG 3.42Å; D167-R169 IonicContact OD1-NE 2.88Å; D167-R169 PolarHBondContact OD1-NE 2.68Å; D167-R169 VanDerWaalsContact OD1-NE 3.16Å; D167-R169 IonicContact OD2-CZ 3.86Å; D167-R169 IonicContact OD2-NE 2.63Å; D167-R169 PolarHBondContact OD2-NE 3.32Å; D167-R169 IonicContact OD2-NH2 3.97Å; D167-R169 PolarHBondContact OD2-NH2 3.04Å | ||
| 168 | P | 40.5 | Very low | 48.4 | Very low | 126 Ų | 126 | 118.6 Ų | 118.6 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | trans | -83.8 | 76.1 | -175.8 | 35.6 | -36.5 | 0 | 0 | 0 | 113.3 | ||||
| 169 | R | 33 | Very low | 45.3 | Very low | 159 Ų | 159 | 122.8 Ų | 122.8 | 60% | 0.6 | 68% | 0.68 | S | S | * | * | trans | -130.4 | -0.9 | -174.6 | -72.1 | -167.5 | -57.3 | 106.4 | 4.6 | 119.6 | D167 | D167-R169 PolarHBondContact O-N 2.96Å; D167-R169 WeakPolarHBondContact OD1-CG 3.42Å; D167-R169 IonicContact OD1-NE 2.88Å; D167-R169 PolarHBondContact OD1-NE 2.68Å; D167-R169 VanDerWaalsContact OD1-NE 3.16Å; D167-R169 IonicContact OD2-CZ 3.86Å; D167-R169 IonicContact OD2-NE 2.63Å; D167-R169 PolarHBondContact OD2-NE 3.32Å; D167-R169 IonicContact OD2-NH2 3.97Å; D167-R169 PolarHBondContact OD2-NH2 3.04Å | ||
| 170 | F | 35.3 | Very low | 42.3 | Very low | 180 Ų | 180 | 124 Ų | 124 | 79% | 0.789 | 70% | 0.697 | S | S | * | * | trans | -136.1 | 79.6 | 179.5 | -71.3 | -72.5 | 0 | 0 | 0 | 115.2 | ||||
| 171 | L | 33.8 | Very low | 39.4 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 93% | 0.927 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -135.3 | 139.7 | 145.8 | -86.6 | -178.6 | 0 | 0 | 0 | 111 | ||
| 172 | N | 28.1 | Very low | 36.9 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | trans | 70.4 | 80.2 | 164.9 | -161.1 | 76.2 | 0 | 0 | 0 | 119.5 | ||||
| 173 | E | 29 | Very low | 34.8 | Very low | 170 Ų | 170 | 130.7 Ų | 130.7 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | -162.2 | 113.2 | 149.2 | 178.7 | 77.1 | 148.4 | 0 | 0 | 108 | ||||
| 174 | N | 31.9 | Very low | 33.2 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | cis | -150.5 | -168.1 | -14.5 | -148.9 | -63.9 | 0 | 0 | 0 | 109.1 | ||||
| 175 | S | 28.8 | Very low | 32.3 | Very low | 89 Ų | 89 | 131.6 Ų | 131.6 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | trans | -107.9 | 171.1 | 173.8 | 75.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 176 | S | 28.7 | Very low | 31.3 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | 87.1 | 144.1 | 158.6 | -55.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 177 | A | 30.2 | Very low | 30.4 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -124.2 | -146.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 178 | P | 49.9 | Very low | 30.1 | Very low | 120 Ų | 120 | 143 Ų | 143 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | -117.7 | 151.3 | -67.1 | 33.5 | -21.8 | 0 | 0 | 0 | 113.2 | |||||
| 179 | V | 27.5 | Very low | 29.4 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 90% | 0.903 | 78% | 0.78 | S | S | * | * | trans | -152.5 | 149.4 | 171.4 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 180 | A | 27.1 | Very low | 29.1 | Very low | 93 Ų | 93 | 142.1 Ų | 142.1 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | cis | -163.8 | 158.2 | -38.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 181 | H | 26.6 | Very low | 28.6 | Very low | 192 Ų | 192 | 138.1 Ų | 138.1 | 89% | 0.889 | 79% | 0.786 | S | S | * | * | trans | -61.2 | 136.3 | -172.6 | -173.2 | 86.8 | 0 | 0 | 0 | 117.5 | ||||
| 182 | G | 28.7 | Very low | 28.2 | Very low | 62 Ų | 62 | 138.7 Ų | 138.7 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | 59.2 | 131.9 | 123.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 183 | E | 23.9 | Very low | 28.3 | Very low | 199 Ų | 199 | 139.3 Ų | 139.3 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -79.3 | 123 | 171.3 | -73 | -170.1 | 92.7 | 0 | 0 | 114.3 | ||||
| 184 | S | 24.8 | Very low | 28.8 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | 58.9 | 108.8 | 136.8 | -152.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 185 | A | 24.4 | Very low | 29.4 | Very low | 89 Ų | 89 | 138.9 Ų | 138.9 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | 79 | 146.3 | 144.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 186 | R | 27 | Very low | 29.4 | Very low | 237 Ų | 237 | 141.6 Ų | 141.6 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | cis | -137.8 | 130.7 | 16.8 | -68.9 | 171.6 | 177.1 | 147.2 | 2.8 | 113.7 | ||||
| 187 | R | 30 | Very low | 29.7 | Very low | 240 Ų | 240 | 144.5 Ų | 144.5 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | 25.8 | 132.8 | 147 | -60.2 | -175.1 | 175.5 | -139.1 | -4.1 | 120.8 | ||||
| 188 | T | 23.3 | Very low | 30.1 | Very low | 142 Ų | 142 | 148.2 Ų | 148.2 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | -162 | 178.8 | 108.2 | -74.8 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 189 | S | 25.5 | Very low | 29.1 | Very low | 87 Ų | 87 | 148 Ų | 148 | 61% | 0.608 | 81% | 0.811 | S | S | * | * | trans | -112.6 | 144.3 | -147.3 | 50.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 190 | H | 27.1 | Very low | 29.2 | Very low | 181 Ų | 181 | 145.9 Ų | 145.9 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | 62.6 | 144.9 | 153.1 | -67.4 | -135.2 | 0 | 0 | 0 | 116 | ||||
| 191 | S | 24.3 | Very low | 29.6 | Very low | 96 Ų | 96 | 149.7 Ų | 149.7 | 67% | 0.671 | 81% | 0.805 | S | S | * | * | cis | -175.8 | 164.2 | 35.1 | -147.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 192 | E | 24.8 | Very low | 29.9 | Very low | 189 Ų | 189 | 145.6 Ų | 145.6 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | 72.7 | 156.2 | 154.7 | -46 | -152.2 | 107 | 0 | 0 | 123.2 | ||||
| 193 | L | 31.4 | Very low | 30.6 | Very low | 154 Ų | 154 | 148.5 Ų | 148.5 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | trans | -98.2 | -179.3 | 175.1 | -77.3 | 168.7 | 0 | 0 | 0 | 109 | ||||
| 194 | P | 39.8 | Very low | 31.3 | Very low | 115 Ų | 115 | 148.5 Ų | 148.5 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | cis | -140.3 | -171 | 16.5 | 43.9 | -24.1 | 0 | 0 | 0 | 117 | ||||
| 195 | H | 43.8 | Very low | 32 | Very low | 164 Ų | 164 | 149.8 Ų | 149.8 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | -67.6 | 152.1 | 176.1 | -43.6 | -98 | 0 | 0 | 0 | 114.3 | ||||
| 196 | T | 27.9 | Very low | 33.2 | Very low | 147 Ų | 147 | 152.1 Ų | 152.1 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -160.5 | 159.6 | 145.8 | -68.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 197 | E | 35.2 | Very low | 34.2 | Very low | 179 Ų | 179 | 148.2 Ų | 148.2 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -104.5 | 172.1 | -159.3 | -53.4 | -168.3 | 120.1 | 0 | 0 | 117.1 | ||||
| 198 | L | 38.9 | Very low | 35.9 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 88% | 0.88 | 77% | 0.772 | S | S | * | * | trans | 80.1 | 120.4 | 143.9 | -162.2 | 69.9 | 0 | 0 | 0 | 119.8 | ||||
| 199 | S | 28.3 | Very low | 37.3 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | -152.3 | 152.7 | 151.8 | -149.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 200 | S | 30.9 | Very low | 38.3 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | -60.1 | 131.2 | -161 | 49.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 201 | Q | 34 | Very low | 40.1 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | trans | 13.1 | 142.7 | 134.6 | -64.9 | -177.3 | -8.6 | 0 | 0 | 122.7 | ||||
| 202 | T | 34.2 | Very low | 42.2 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | trans | 71.6 | 153.8 | 151.2 | 50.8 | 0 | 0 | 0 | 0 | 119.1 | Y204 | T202-Y204 HydrophobicContact CG2-CD2 4.44Å; T202-Y204 HydrophobicContact CG2-CE2 3.98Å | ||
| 203 | P | 43 | Very low | 44 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 79% | 0.792 | 72% | 0.72 | S | S | * | * | cis | -109.4 | 167.9 | 10.6 | 40.7 | -32.7 | 0 | 0 | 0 | 116.5 | ||||
| 204 | Y | 39.5 | Very low | 45.1 | Very low | 199 Ų | 199 | 133.4 Ų | 133.4 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | trans | -77 | 138.9 | 179.9 | -58.1 | -92.1 | 0 | 0 | 0 | 112.5 | T202 | T202-Y204 HydrophobicContact CG2-CD2 4.44Å; T202-Y204 HydrophobicContact CG2-CE2 3.98Å | ||
| 205 | T | 38.8 | Very low | 45.7 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 84% | 0.84 | 71% | 0.71 | S | S | * | * | trans | -104.1 | 90.9 | 167.8 | 58 | 0 | 0 | 0 | 0 | 109.9 | N207 | T205-N207 PolarHBondContact O-N 3.01Š| ||
| 206 | L | 48.4 | Very low | 46.1 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 72% | 0.717 | 70% | 0.704 | S | S | * | * | trans | -79.9 | 110.7 | 172.2 | -63.9 | 177.8 | 0 | 0 | 0 | 108.9 | F208 | L206-F208 HydrophobicContact CB-CD2 4.37Å; L206-F208 HydrophobicContact CB-CE2 3.93Å; L206-F208 HydrophobicContact CD1-CE2 4.25Å; L206-F208 HydrophobicContact CD2-CZ 4.44Å; L206-F208 HydrophobicContact CG-CE2 4.47Å | ||
| 207 | N | 48.8 | Very low | 47 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 83% | 0.829 | 69% | 0.691 | S | S | * | * | trans | -120.5 | 81.8 | -178.6 | -175.4 | 47.5 | 0 | 0 | 0 | 109.5 | T205 | T205-N207 PolarHBondContact O-N 3.01Š| ||
| 208 | F | 65 | Low | 47.5 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 46% | 0.456 | 70% | 0.696 | S | S | . | * | trans | -82.5 | 142.7 | 176.8 | -63.7 | -70.5 | 0 | 0 | 0 | 111.2 | L206 E212 L213 | L206-F208 HydrophobicContact CB-CD2 4.37Å; L206-F208 HydrophobicContact CB-CE2 3.93Å; L206-F208 HydrophobicContact CD1-CE2 4.25Å; L206-F208 HydrophobicContact CD2-CZ 4.44Å; L206-F208 HydrophobicContact CG-CE2 4.47Å; F208-E212 WeakPolarHBondContact CA-OE2 3.49Å; F208-E212 HydrophobicContact CB-CB 4.47Å; F208-E212 HydrophobicContact CD1-CB 4.45Å; F208-L213 HydrophobicContact CB-CG 4.23Å | ||
| 209 | S | 53.4 | Low | 48 | Very low | 67 Ų | 67 | 126.9 Ų | 126.9 | 47% | 0.469 | 69% | 0.694 | S | S | . | * | trans | -68.5 | 154.3 | 166.4 | -173.3 | 0 | 0 | 0 | 0 | 110.9 | E211 E212 L213 | S209-E211 PolarHBondContact O-N 3.34Å; S209-E212 PolarHBondContact N-OE2 2.74Å; S209-E212 PolarHBondContact O-N 3.27Å; S209-E212 VanDerWaalsContact O-N 3.12Å; S209-L213 PolarHBondContact O-N 3.19Å | ||
| 210 | F | 46.7 | Very low | 48.6 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 72% | 0.715 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -55.8 | -33.5 | 172.4 | -178.4 | -99 | 0 | 0 | 0 | 112 | N214 | F210-N214 PolarHBondContact O-N 2.86Å |
| 211 | E | 65.9 | Low | 49 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 62% | 0.617 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -65.4 | -41.3 | 177.2 | -140.9 | 66.2 | -147.6 | 0 | 0 | 112.5 | S209 N214 T215 | S209-E211 PolarHBondContact O-N 3.34Å; E211-N214 WeakPolarHBondContact O-CB 3.25Å; E211-N214 PolarHBondContact O-N 3.21Å; E211-T215 PolarHBondContact O-N 3.22Å |
| 212 | E | 66.6 | Low | 48.8 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 44% | 0.439 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -70.6 | -35.9 | -177.5 | -64.1 | 172.9 | 124.2 | 0 | 0 | 111.6 | F208 S209 N214 T215 | F208-E212 WeakPolarHBondContact CA-OE2 3.49Å; F208-E212 HydrophobicContact CB-CB 4.47Å; F208-E212 HydrophobicContact CD1-CB 4.45Å; S209-E212 PolarHBondContact N-OE2 2.74Å; S209-E212 PolarHBondContact O-N 3.27Å; S209-E212 VanDerWaalsContact O-N 3.12Å; E212-N214 VanDerWaalsContact C-N 3.29Å; E212-N214 PolarHBondContact O-N 3.12Å; E212-T215 PolarHBondContact O-N 3.28Å; E212-T215 PolarHBondContact O-OG1 3.2Å |
| 213 | L | 63.2 | Low | 49.4 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 53% | 0.534 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -65.3 | -33.8 | 172.4 | -72.8 | 169.4 | 0 | 0 | 0 | 112.1 | F208 S209 T215 L216 | F208-L213 HydrophobicContact CB-CG 4.23Å; S209-L213 PolarHBondContact O-N 3.19Å; L213-T215 VanDerWaalsContact C-N 3.28Å; L213-T215 PolarHBondContact O-N 3.4Å; L213-L216 PolarHBondContact O-N 2.76Å |
| 214 | N | 55.1 | Low | 49.1 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 62% | 0.62 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -68.8 | -28.7 | 179.4 | -143.5 | 17.2 | 0 | 0 | 0 | 111.9 | F210 E211 E212 | F210-N214 PolarHBondContact O-N 2.86Å; E211-N214 WeakPolarHBondContact O-CB 3.25Å; E211-N214 PolarHBondContact O-N 3.21Å; E212-N214 VanDerWaalsContact C-N 3.29Å; E212-N214 PolarHBondContact O-N 3.12Å |
| 215 | T | 52.5 | Low | 49.4 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 72% | 0.724 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -7.3 | 173.5 | 45.5 | 0 | 0 | 0 | 0 | 115.1 | E211 E212 L213 G217 | E211-T215 PolarHBondContact O-N 3.22Å; E212-T215 PolarHBondContact O-N 3.28Å; E212-T215 PolarHBondContact O-OG1 3.2Å; L213-T215 VanDerWaalsContact C-N 3.28Å; L213-T215 PolarHBondContact O-N 3.4Å; T215-G217 VanDerWaalsContact C-N 3.32Å |
| 216 | L | 51.8 | Low | 49 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 64% | 0.639 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 16.7 | 177.7 | -68.6 | 169.9 | 0 | 0 | 0 | 113.2 | L213 L218 | L213-L216 PolarHBondContact O-N 2.76Å; L216-L218 PolarHBondContact O-N 3.44Å |
| 217 | G | 46 | Very low | 48.5 | Very low | 60 Ų | 60 | 129 Ų | 129 | 62% | 0.619 | 70% | 0.704 | S | S | * | * | trans | -66.6 | 119.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | T215 D219 | T215-G217 VanDerWaalsContact C-N 3.32Å; G217-D219 PolarHBondContact O-N 3.36Å; G217-D219 VanDerWaalsContact O-N 3.17Å | ||
| 218 | L | 46.1 | Very low | 48 | Very low | 178 Ų | 178 | 128.3 Ų | 128.3 | 93% | 0.932 | 70% | 0.699 | S | S | * | * | trans | -50.4 | 112.2 | 179.2 | -70.8 | 158.3 | 0 | 0 | 0 | 113.3 | L216 | L216-L218 PolarHBondContact O-N 3.44Š| ||
| 219 | D | 49.2 | Very low | 46.8 | Very low | 158 Ų | 158 | 128.5 Ų | 128.5 | 85% | 0.845 | 71% | 0.714 | S | S | * | * | trans | -124.4 | 87 | 157.2 | -172.9 | 41.9 | 0 | 0 | 0 | 109.5 | G217 | G217-D219 PolarHBondContact O-N 3.36Å; G217-D219 VanDerWaalsContact O-N 3.17Å | ||
| 220 | E | 42.4 | Very low | 46.1 | Very low | 193 Ų | 193 | 135.5 Ų | 135.5 | 90% | 0.902 | 73% | 0.73 | S | S | * | * | trans | -120 | 109.8 | 162.6 | -169.9 | 169.7 | 139.4 | 0 | 0 | 108.8 | ||||
| 221 | G | 37.6 | Very low | 45.9 | Very low | 70 Ų | 70 | 137 Ų | 137 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | trans | -92.4 | 133.1 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 222 | A | 31.3 | Very low | 44.3 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 66% | 0.661 | 75% | 0.752 | S | S | * | * | trans | -142.6 | 125.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | R224 | A222-R224 PolarHBondContact O-N 3.48Š| ||
| 223 | P | 46.9 | Very low | 42.7 | Very low | 129 Ų | 129 | 138.7 Ų | 138.7 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | -75.6 | 99.3 | -177.4 | 29.9 | -34.1 | 0 | 0 | 0 | 111.1 | ||||
| 224 | R | 36.8 | Very low | 41.6 | Very low | 224 Ų | 224 | 141.2 Ų | 141.2 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | -112.6 | 126.9 | 161.2 | -75.5 | -168.5 | 170.6 | 125.6 | 1.8 | 111 | A222 S226 | A222-R224 PolarHBondContact O-N 3.48Å; R224-S226 PolarHBondContact O-N 3.17Å | ||
| 225 | H | 45.4 | Very low | 40.7 | Very low | 193 Ų | 193 | 144.4 Ų | 144.4 | 89% | 0.894 | 78% | 0.784 | S | S | * | * | trans | -55.8 | 105.5 | -165.2 | -49.5 | -84.8 | 0 | 0 | 0 | 113.1 | ||||
| 226 | S | 29.2 | Very low | 40.1 | Very low | 87 Ų | 87 | 150.2 Ų | 150.2 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | trans | -128.2 | 119.2 | 165.7 | 47.7 | 0 | 0 | 0 | 0 | 108.4 | R224 L228 | R224-S226 PolarHBondContact O-N 3.17Å; S226-L228 VanDerWaalsContact C-N 3.34Å; S226-L228 PolarHBondContact O-N 3.47Å | ||
| 227 | N | 39 | Very low | 39.5 | Very low | 165 Ų | 165 | 150.8 Ų | 150.8 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -81.1 | 78.9 | -173.8 | -76.4 | -68.2 | 0 | 0 | 0 | 110.9 | ||||
| 228 | L | 37.8 | Very low | 39.2 | Very low | 139 Ų | 139 | 153.6 Ų | 153.6 | 73% | 0.728 | 81% | 0.809 | S | S | * | * | trans | -98.2 | 85.3 | 175.7 | -72.9 | 166.7 | 0 | 0 | 0 | 110.5 | S226 W230 | S226-L228 VanDerWaalsContact C-N 3.34Å; S226-L228 PolarHBondContact O-N 3.47Å; L228-W230 PolarHBondContact O-N 3.13Å | ||
| 229 | S | 40.1 | Very low | 38.8 | Very low | 108 Ų | 108 | 149.9 Ų | 149.9 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -74.3 | 39.8 | -176 | 49.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 230 | W | 39.5 | Very low | 39.1 | Very low | 215 Ų | 215 | 151.7 Ų | 151.7 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | -117.7 | 48.3 | -168.1 | -71.8 | 107.7 | 0 | 0 | 0 | 114.9 | L228 | L228-W230 PolarHBondContact O-N 3.13Š| ||
| 231 | Q | 41.4 | Very low | 39.5 | Very low | 194 Ų | 194 | 146.2 Ų | 146.2 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | trans | -160.2 | 64.4 | 156.7 | -118.1 | 159.8 | 104.2 | 0 | 0 | 114.9 | ||||
| 232 | S | 32.3 | Very low | 40.1 | Very low | 125 Ų | 125 | 147 Ų | 147 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -128.4 | 49.3 | 171.3 | -66.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 233 | Q | 33 | Very low | 41.4 | Very low | 136 Ų | 136 | 150.7 Ų | 150.7 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | -151.2 | 109.1 | 160.6 | -156.9 | 170.4 | -137.7 | 0 | 0 | 113.3 | R235 | Q233-R235 VanDerWaalsContact C-N 3.29Å; Q233-R235 HydrophobicContact CG-CG 4.04Å; Q233-R235 VanDerWaalsContact NE2-NE 3.12Å; Q233-R235 PolarHBondContact O-N 3.43Å | ||
| 234 | T | 40.8 | Very low | 42.3 | Very low | 155 Ų | 155 | 152.2 Ų | 152.2 | 95% | 0.951 | 79% | 0.793 | S | S | * | * | trans | -68.9 | 81.6 | 170.4 | -44.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 235 | R | 36.6 | Very low | 44.3 | Very low | 183 Ų | 183 | 143.7 Ų | 143.7 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 135.4 | 159.8 | -60.2 | -156.7 | -178.2 | -83.1 | -8 | 108.3 | Q233 | Q233-R235 VanDerWaalsContact C-N 3.29Å; Q233-R235 HydrophobicContact CG-CG 4.04Å; Q233-R235 VanDerWaalsContact NE2-NE 3.12Å; Q233-R235 PolarHBondContact O-N 3.43Å |
| 236 | R | 38.8 | Very low | 46 | Very low | 240 Ų | 240 | 142 Ų | 142 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 141.8 | 178.3 | -63.6 | 175 | 178.7 | 165.9 | -2.5 | 109.6 | P238 | R236-P238 VanDerWaalsContact O-CD 3.25Å; R236-P238 WeakPolarHBondContact O-CD 3.37Å; R236-P238 VanDerWaalsContact O-N 3.13Å |
| 237 | T | 38.8 | Very low | 48.6 | Very low | 135 Ų | 135 | 143.9 Ų | 143.9 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 116 | 163.6 | 36.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 238 | P | 40.7 | Very low | 50.8 | Low | 119 Ų | 119 | 137.1 Ų | 137.1 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 140.9 | 163.1 | 31.4 | -31.1 | 0 | 0 | 0 | 107.7 | R236 | R236-P238 VanDerWaalsContact O-CD 3.25Å; R236-P238 WeakPolarHBondContact O-CD 3.37Å; R236-P238 VanDerWaalsContact O-N 3.13Å |
| 239 | S | 37.7 | Very low | 53.1 | Low | 100 Ų | 100 | 133.8 Ų | 133.8 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 147.6 | -175.6 | -50.4 | 0 | 0 | 0 | 0 | 113.5 | S241 | S239-S241 PolarHBondContact O-N 3.45Å; S239-S241 PolarHBondContact O-OG 2.76Å |
| 240 | L | 54.4 | Low | 55.6 | Low | 195 Ų | 195 | 132.2 Ų | 132.2 | 100% | 1.021 | 70% | 0.699 | S | S | * | * | trans | -69.2 | 57.9 | 166.2 | -67.8 | 173.9 | 0 | 0 | 0 | 111.4 | ||||
| 241 | S | 51.2 | Low | 58.1 | Low | 79 Ų | 79 | 128.3 Ų | 128.3 | 55% | 0.552 | 69% | 0.691 | S | S | * | * | trans | -114.7 | 103 | -176.2 | 55.3 | 0 | 0 | 0 | 0 | 110.5 | S239 | S239-S241 PolarHBondContact O-N 3.45Å; S239-S241 PolarHBondContact O-OG 2.76Å | ||
| 242 | S | 49.6 | Very low | 60.5 | Low | 85 Ų | 85 | 123.3 Ų | 123.3 | 59% | 0.594 | 67% | 0.669 | S | S | * | * | trans | 89.1 | 95.6 | 177.6 | -42.4 | 0 | 0 | 0 | 0 | 115.9 | N244 S245 | S242-N244 PolarHBondContact O-N 3.36Å; S242-S245 WeakPolarHBondContact O-CB 3.37Å; S242-S245 PolarHBondContact O-N 3.01Å; S242-S245 VanDerWaalsContact O-N 3.12Å; S242-S245 PolarHBondContact O-OG 2.76Å | ||
| 243 | L | 59.4 | Low | 63.5 | Low | 158 Ų | 158 | 120.2 Ų | 120.2 | 83% | 0.827 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -7.6 | 160.5 | -66.1 | 167.9 | 0 | 0 | 0 | 113.7 | ||
| 244 | N | 66.2 | Low | 66.5 | Low | 161 Ų | 161 | 120.3 Ų | 120.3 | 86% | 0.861 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 16.6 | 177.1 | -165.4 | 50.8 | 0 | 0 | 0 | 112.5 | S242 | S242-N244 PolarHBondContact O-N 3.36Š|
| 245 | S | 78.5 | Confident | 69 | Low | 46 Ų | 46 | 118.1 Ų | 118.1 | 32% | 0.322 | 63% | 0.628 | S | S | . | * | trans | -76.8 | 140.7 | 175 | -56.6 | 0 | 0 | 0 | 0 | 110.4 | S242 D247 S248 S249 | S242-S245 WeakPolarHBondContact O-CB 3.37Å; S242-S245 PolarHBondContact O-N 3.01Å; S242-S245 VanDerWaalsContact O-N 3.12Å; S242-S245 PolarHBondContact O-OG 2.76Å; S245-D247 VanDerWaalsContact C-N 3.26Å; S245-D247 PolarHBondContact O-N 3.46Å; S245-S248 WeakPolarHBondContact O-CA 3.42Å; S245-S248 WeakPolarHBondContact O-CB 3.37Å; S245-S248 PolarHBondContact O-N 3.03Å; S245-S249 PolarHBondContact O-N 3.23Å | ||
| 246 | Q | 80.4 | Confident | 71.9 | Confident | 157 Ų | 157 | 112.6 Ų | 112.6 | 73% | 0.734 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.1 | -35.4 | -177.9 | -172.9 | 169.3 | -22.4 | 0 | 0 | 112.5 | S248 S249 I250 | Q246-S248 VanDerWaalsContact C-N 3.34Å; Q246-S248 PolarHBondContact O-N 3.12Å; Q246-S249 WeakPolarHBondContact O-CB 3.48Å; Q246-S249 PolarHBondContact O-N 3.06Å; Q246-I250 HydrophobicContact CG-CD1 4.45Å; Q246-I250 WeakPolarHBondContact O-CG1 3.47Å; Q246-I250 PolarHBondContact O-N 2.88Å |
| 247 | D | 84.3 | Confident | 74.6 | Confident | 127 Ų | 127 | 105.8 Ų | 105.8 | 68% | 0.679 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.5 | -36.7 | 173.3 | -54.2 | -82.8 | 0 | 0 | 0 | 112.6 | S245 I250 E251 | S245-D247 VanDerWaalsContact C-N 3.26Å; S245-D247 PolarHBondContact O-N 3.46Å; D247-I250 PolarHBondContact O-N 3.45Å; D247-E251 WeakPolarHBondContact O-CB 3.38Å; D247-E251 PolarHBondContact O-N 2.99Å |
| 248 | S | 85.2 | Confident | 77.4 | Confident | 23 Ų | 23 | 105.6 Ų | 105.6 | 16% | 0.161 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -68.8 | -36.7 | 174.7 | -173 | 0 | 0 | 0 | 0 | 111.3 | S245 Q246 I250 E251 I252 | S245-S248 WeakPolarHBondContact O-CA 3.42Å; S245-S248 WeakPolarHBondContact O-CB 3.37Å; S245-S248 PolarHBondContact O-N 3.03Å; Q246-S248 VanDerWaalsContact C-N 3.34Å; Q246-S248 PolarHBondContact O-N 3.12Å; S248-I250 VanDerWaalsContact C-N 3.32Å; S248-I250 PolarHBondContact O-N 2.97Å; S248-E251 PolarHBondContact O-N 2.98Å; S248-I252 WeakPolarHBondContact O-CB 3.44Å; S248-I252 WeakPolarHBondContact O-CD1 3.46Å; S248-I252 VanDerWaalsContact O-CG1 3.23Å; S248-I252 WeakPolarHBondContact O-CG1 3.23Å; S248-I252 PolarHBondContact O-N 3.5Å |
| 249 | S | 86.1 | Confident | 80.1 | Confident | 68 Ų | 68 | 103.9 Ų | 103.9 | 48% | 0.476 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.8 | -41.4 | 170.4 | -172.1 | 0 | 0 | 0 | 0 | 111.9 | S245 Q246 E251 I252 S253 | S245-S249 PolarHBondContact O-N 3.23Å; Q246-S249 WeakPolarHBondContact O-CB 3.48Å; Q246-S249 PolarHBondContact O-N 3.06Å; S249-E251 VanDerWaalsContact C-N 3.34Å; S249-I252 PolarHBondContact O-N 2.87Å; S249-S253 PolarHBondContact O-N 3.05Å; S249-S253 PolarHBondContact O-OG 3.26Å |
| 250 | I | 92.1 | Very high | 83 | Confident | 75 Ų | 75 | 103.3 Ų | 103.3 | 39% | 0.385 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67 | -36.6 | 177.1 | -68.2 | 163.2 | 0 | 0 | 0 | 111.2 | Q246 D247 S248 K254 | Q246-I250 HydrophobicContact CG-CD1 4.45Å; Q246-I250 WeakPolarHBondContact O-CG1 3.47Å; Q246-I250 PolarHBondContact O-N 2.88Å; D247-I250 PolarHBondContact O-N 3.45Å; S248-I250 VanDerWaalsContact C-N 3.32Å; S248-I250 PolarHBondContact O-N 2.97Å; I250-K254 HydrophobicContact CG2-CD 4.22Å; I250-K254 VanDerWaalsContact O-CG 3.29Å; I250-K254 WeakPolarHBondContact O-CG 3.38Å; I250-K254 PolarHBondContact O-N 2.91Å |
| 251 | E | 93.6 | Very high | 85 | Confident | 134 Ų | 134 | 96.1 Ų | 96.1 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.3 | -43.3 | 174.9 | -173.5 | 167.3 | -134 | 0 | 0 | 112 | D247 S248 S249 S253 K254 L255 | D247-E251 WeakPolarHBondContact O-CB 3.38Å; D247-E251 PolarHBondContact O-N 2.99Å; S248-E251 PolarHBondContact O-N 2.98Å; S249-E251 VanDerWaalsContact C-N 3.34Å; E251-S253 PolarHBondContact O-N 3.27Å; E251-K254 PolarHBondContact O-N 3.05Å; E251-L255 WeakPolarHBondContact O-CB 3.43Å; E251-L255 PolarHBondContact O-N 3.28Å |
| 252 | I | 91.3 | Very high | 87.1 | Confident | 89 Ų | 89 | 98 Ų | 98 | 46% | 0.456 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 174.4 | -68.9 | 162 | 0 | 0 | 0 | 111.1 | S248 S249 L255 T256 | S248-I252 WeakPolarHBondContact O-CB 3.44Å; S248-I252 WeakPolarHBondContact O-CD1 3.46Å; S248-I252 VanDerWaalsContact O-CG1 3.23Å; S248-I252 WeakPolarHBondContact O-CG1 3.23Å; S248-I252 PolarHBondContact O-N 3.5Å; S249-I252 PolarHBondContact O-N 2.87Å; I252-L255 PolarHBondContact O-N 3.45Å; I252-T256 WeakPolarHBondContact O-CB 3.29Å; I252-T256 PolarHBondContact O-N 2.87Å; I252-T256 PolarHBondContact O-OG1 3.45Å |
| 253 | S | 94.4 | Very high | 89.4 | Confident | 60 Ų | 60 | 101.7 Ų | 101.7 | 42% | 0.42 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.6 | -51.7 | 172.1 | -64.5 | 0 | 0 | 0 | 0 | 111.4 | S249 E251 L255 T256 D257 | S249-S253 PolarHBondContact O-N 3.05Å; S249-S253 PolarHBondContact O-OG 3.26Å; E251-S253 PolarHBondContact O-N 3.27Å; S253-L255 VanDerWaalsContact C-N 3.3Å; S253-L255 PolarHBondContact O-N 3.25Å; S253-T256 CarbonylContact O-C 3.49Å; S253-T256 WeakPolarHBondContact O-CA 3.41Å; S253-T256 WeakPolarHBondContact O-CB 3.34Å; S253-T256 PolarHBondContact O-N 3.31Å; S253-D257 VanDerWaalsContact O-CG 3.24Å; S253-D257 PolarHBondContact O-N 3.45Å |
| 254 | K | 95.6 | Very high | 91.3 | Very high | 137 Ų | 137 | 101.4 Ų | 101.4 | 60% | 0.596 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.7 | -37.5 | 178.5 | -72.9 | 166.9 | -179 | 173.6 | 0 | 113.3 | I250 E251 K258 | I250-K254 HydrophobicContact CG2-CD 4.22Å; I250-K254 VanDerWaalsContact O-CG 3.29Å; I250-K254 WeakPolarHBondContact O-CG 3.38Å; I250-K254 PolarHBondContact O-N 2.91Å; E251-K254 PolarHBondContact O-N 3.05Å; K254-K258 WeakPolarHBondContact O-CB 3.45Å; K254-K258 PolarHBondContact O-N 3.17Å |
| 255 | L | 95.1 | Very high | 92.8 | Very high | 110 Ų | 110 | 97.7 Ų | 97.7 | 58% | 0.576 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.2 | -42.2 | 174.9 | -179.9 | 60.4 | 0 | 0 | 0 | 111 | E251 I252 S253 K258 V259 | E251-L255 WeakPolarHBondContact O-CB 3.43Å; E251-L255 PolarHBondContact O-N 3.28Å; I252-L255 PolarHBondContact O-N 3.45Å; S253-L255 VanDerWaalsContact C-N 3.3Å; S253-L255 PolarHBondContact O-N 3.25Å; L255-K258 PolarHBondContact O-N 3.27Å; L255-V259 HydrophobicContact CD1-CG2 4.47Å; L255-V259 WeakPolarHBondContact O-CG2 3.36Å; L255-V259 PolarHBondContact O-N 3.49Å |
| 256 | T | 95.5 | Very high | 93.7 | Very high | 67 Ų | 67 | 98.3 Ų | 98.3 | 41% | 0.411 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 174.9 | -54 | 0 | 0 | 0 | 0 | 111.1 | I252 S253 K258 V259 Q260 | I252-T256 WeakPolarHBondContact O-CB 3.29Å; I252-T256 PolarHBondContact O-N 2.87Å; I252-T256 PolarHBondContact O-OG1 3.45Å; S253-T256 CarbonylContact O-C 3.49Å; S253-T256 WeakPolarHBondContact O-CA 3.41Å; S253-T256 WeakPolarHBondContact O-CB 3.34Å; S253-T256 PolarHBondContact O-N 3.31Å; T256-K258 PolarHBondContact O-N 2.97Å; T256-V259 PolarHBondContact O-N 3.03Å; T256-Q260 WeakPolarHBondContact O-CG 3.43Å; T256-Q260 PolarHBondContact O-N 3.05Å |
| 257 | D | 96.6 | Very high | 94.5 | Very high | 96 Ų | 96 | 97.1 Ų | 97.1 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 177 | -64 | -30.8 | 0 | 0 | 0 | 111.4 | S253 Q260 A261 | S253-D257 VanDerWaalsContact O-CG 3.24Å; S253-D257 PolarHBondContact O-N 3.45Å; D257-Q260 PolarHBondContact O-N 3.36Å; D257-A261 WeakPolarHBondContact O-CB 3.46Å; D257-A261 PolarHBondContact O-N 2.96Å |
| 258 | K | 97.4 | Very high | 95.1 | Very high | 132 Ų | 132 | 97.7 Ų | 97.7 | 57% | 0.574 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.2 | -49.5 | 175.4 | -171.4 | -165.8 | 170.9 | -160 | 0 | 111.1 | K254 L255 T256 Q260 A261 E262 | K254-K258 WeakPolarHBondContact O-CB 3.45Å; K254-K258 PolarHBondContact O-N 3.17Å; L255-K258 PolarHBondContact O-N 3.27Å; T256-K258 PolarHBondContact O-N 2.97Å; K258-Q260 VanDerWaalsContact C-N 3.31Å; K258-Q260 PolarHBondContact O-N 2.95Å; K258-A261 WeakPolarHBondContact O-CB 3.39Å; K258-A261 PolarHBondContact O-N 2.82Å; K258-A261 VanDerWaalsContact O-N 3.17Å; K258-E262 IonicContact NZ-OE2 3.29Å; K258-E262 WeakPolarHBondContact O-CB 3.36Å; K258-E262 PolarHBondContact O-N 3.48Å |
| 259 | V | 97.8 | Very high | 95.6 | Very high | 83 Ų | 83 | 102.1 Ų | 102.1 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -36.1 | 179.4 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | L255 T256 Y263 | L255-V259 HydrophobicContact CD1-CG2 4.47Å; L255-V259 WeakPolarHBondContact O-CG2 3.36Å; L255-V259 PolarHBondContact O-N 3.49Å; T256-V259 PolarHBondContact O-N 3.03Å; V259-Y263 WeakPolarHBondContact O-CB 3.33Å; V259-Y263 PolarHBondContact O-N 2.74Å |
| 260 | Q | 97.6 | Very high | 96.1 | Very high | 88 Ų | 88 | 105 Ų | 105 | 41% | 0.411 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.5 | -37.6 | 173 | -74.1 | -174.2 | 31.2 | 0 | 0 | 113 | T256 D257 K258 R264 | T256-Q260 WeakPolarHBondContact O-CG 3.43Å; T256-Q260 PolarHBondContact O-N 3.05Å; D257-Q260 PolarHBondContact O-N 3.36Å; K258-Q260 VanDerWaalsContact C-N 3.31Å; K258-Q260 PolarHBondContact O-N 2.95Å; Q260-R264 WeakPolarHBondContact O-CB 3.27Å; Q260-R264 VanDerWaalsContact O-CG 3.24Å; Q260-R264 WeakPolarHBondContact O-CG 3.39Å; Q260-R264 PolarHBondContact O-N 3.34Å |
| 261 | A | 96.4 | Very high | 96.3 | Very high | 44 Ų | 44 | 105.6 Ų | 105.6 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.4 | -49.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | D257 K258 Y263 R264 D265 | D257-A261 WeakPolarHBondContact O-CB 3.46Å; D257-A261 PolarHBondContact O-N 2.96Å; K258-A261 WeakPolarHBondContact O-CB 3.39Å; K258-A261 PolarHBondContact O-N 2.82Å; K258-A261 VanDerWaalsContact O-N 3.17Å; A261-Y263 VanDerWaalsContact C-N 3.33Å; A261-Y263 PolarHBondContact O-N 2.92Å; A261-R264 CarbonylContact O-C 3.55Å; A261-R264 WeakPolarHBondContact O-CB 3.49Å; A261-R264 PolarHBondContact O-N 3.2Å; A261-D265 WeakPolarHBondContact O-CB 3.39Å; A261-D265 PolarHBondContact O-N 2.91Å; A261-D265 VanDerWaalsContact O-OD1 3.06Å |
| 262 | E | 96.8 | Very high | 96.3 | Very high | 117 Ų | 117 | 101.4 Ų | 101.4 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.6 | -41.7 | 178.7 | -164.2 | 166 | 162.2 | 0 | 0 | 112 | K258 D265 A266 | K258-E262 IonicContact NZ-OE2 3.29Å; K258-E262 WeakPolarHBondContact O-CB 3.36Å; K258-E262 PolarHBondContact O-N 3.48Å; E262-D265 PolarHBondContact O-N 2.9Å; E262-A266 WeakPolarHBondContact O-CB 3.48Å; E262-A266 PolarHBondContact O-N 3.39Å |
| 263 | Y | 97.8 | Very high | 96.5 | Very high | 164 Ų | 164 | 102.2 Ų | 102.2 | 64% | 0.643 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.9 | -44.9 | 171.6 | 178.4 | -94.4 | 0 | 0 | 0 | 113 | V259 A261 D265 Y267 | V259-Y263 WeakPolarHBondContact O-CB 3.33Å; V259-Y263 PolarHBondContact O-N 2.74Å; A261-Y263 VanDerWaalsContact C-N 3.33Å; A261-Y263 PolarHBondContact O-N 2.92Å; Y263-D265 VanDerWaalsContact C-N 3.26Å; Y263-D265 PolarHBondContact O-N 3.42Å; Y263-Y267 VanDerWaalsContact O-CB 3.27Å; Y263-Y267 WeakPolarHBondContact O-CB 3.39Å; Y263-Y267 PolarHBondContact O-N 2.93Å |
| 264 | R | 97.7 | Very high | 96.2 | Very high | 151 Ų | 151 | 103.3 Ų | 103.3 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.4 | -32.9 | 176.2 | -75.3 | 170.5 | -178.3 | 157.3 | 5.9 | 112 | Q260 A261 R268 | Q260-R264 WeakPolarHBondContact O-CB 3.27Å; Q260-R264 VanDerWaalsContact O-CG 3.24Å; Q260-R264 WeakPolarHBondContact O-CG 3.39Å; Q260-R264 PolarHBondContact O-N 3.34Å; A261-R264 CarbonylContact O-C 3.55Å; A261-R264 WeakPolarHBondContact O-CB 3.49Å; A261-R264 PolarHBondContact O-N 3.2Å; R264-R268 WeakPolarHBondContact O-CG 3.41Å; R264-R268 PolarHBondContact O-N 3.36Å; R264-R268 VanDerWaalsContact O-N 3.1Å; R264-R268 PolarHBondContact O-NH1 3.17Å |
| 265 | D | 97.7 | Very high | 95.8 | Very high | 83 Ų | 83 | 100.2 Ų | 100.2 | 44% | 0.444 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -74.7 | -49.5 | -179.2 | -77.7 | 31.3 | 0 | 0 | 0 | 110.4 | A261 E262 Y263 Y267 R268 E269 | A261-D265 WeakPolarHBondContact O-CB 3.39Å; A261-D265 PolarHBondContact O-N 2.91Å; A261-D265 VanDerWaalsContact O-OD1 3.06Å; E262-D265 PolarHBondContact O-N 2.9Å; Y263-D265 VanDerWaalsContact C-N 3.26Å; Y263-D265 PolarHBondContact O-N 3.42Å; D265-Y267 VanDerWaalsContact C-N 3.27Å; D265-Y267 PolarHBondContact O-N 3.17Å; D265-R268 PolarHBondContact O-N 3.33Å; D265-R268 VanDerWaalsContact O-N 3.14Å; D265-R268 IonicContact OD1-CZ 2.68Å; D265-R268 IonicContact OD1-NH1 3.16Å; D265-R268 PolarHBondContact OD1-NH1 3.32Å; D265-R268 IonicContact OD1-NH2 2.8Å; D265-R268 PolarHBondContact OD1-NH2 3.39Å; D265-R268 IonicContact OD2-NH2 2.66Å; D265-R268 PolarHBondContact OD2-NH2 2.85Å; D265-E269 PolarHBondContact O-N 2.91Å |
| 266 | A | 97.4 | Very high | 95 | Very high | 59 Ų | 59 | 102 Ų | 102 | 49% | 0.488 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.5 | -36.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E262 E269 Y270 | E262-A266 WeakPolarHBondContact O-CB 3.48Å; E262-A266 PolarHBondContact O-N 3.39Å; A266-E269 PolarHBondContact O-N 3.06Å; A266-Y270 WeakPolarHBondContact O-CB 3.46Å; A266-Y270 PolarHBondContact O-N 2.82Å |
| 267 | Y | 97.8 | Very high | 93.9 | Very high | 132 Ų | 132 | 105.3 Ų | 105.3 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.5 | -37.4 | 176 | -171.3 | -107.5 | 0 | 0 | 0 | 112.9 | Y263 D265 I271 | Y263-Y267 VanDerWaalsContact O-CB 3.27Å; Y263-Y267 WeakPolarHBondContact O-CB 3.39Å; Y263-Y267 PolarHBondContact O-N 2.93Å; D265-Y267 VanDerWaalsContact C-N 3.27Å; D265-Y267 PolarHBondContact O-N 3.17Å; Y267-I271 HydrophobicContact CD1-CD1 3.91Å; Y267-I271 HydrophobicContact CE1-CD1 3.52Å; Y267-I271 HydrophobicContact CE1-CG1 4.48Å; Y267-I271 WeakPolarHBondContact O-CG1 3.43Å; Y267-I271 PolarHBondContact O-N 2.94Å; Y267-I271 VanDerWaalsContact O-N 3.11Å |
| 268 | R | 97 | Very high | 92.5 | Very high | 139 Ų | 139 | 109.4 Ų | 109.4 | 53% | 0.525 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.1 | -39.8 | 171.1 | -72.9 | -168.3 | -43.6 | -77.1 | 10 | 111.6 | R264 D265 I271 A272 | R264-R268 WeakPolarHBondContact O-CG 3.41Å; R264-R268 PolarHBondContact O-N 3.36Å; R264-R268 VanDerWaalsContact O-N 3.1Å; R264-R268 PolarHBondContact O-NH1 3.17Å; D265-R268 PolarHBondContact O-N 3.33Å; D265-R268 VanDerWaalsContact O-N 3.14Å; D265-R268 IonicContact OD1-CZ 2.68Å; D265-R268 IonicContact OD1-NH1 3.16Å; D265-R268 PolarHBondContact OD1-NH1 3.32Å; D265-R268 IonicContact OD1-NH2 2.8Å; D265-R268 PolarHBondContact OD1-NH2 3.39Å; D265-R268 IonicContact OD2-NH2 2.66Å; D265-R268 PolarHBondContact OD2-NH2 2.85Å; R268-I271 PolarHBondContact O-N 3.42Å; R268-A272 PolarHBondContact O-N 3.35Å |
| 269 | E | 96 | Very high | 90.6 | Very high | 117 Ų | 117 | 105.7 Ų | 105.7 | 55% | 0.547 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65 | -45.3 | 176.4 | -161.7 | -169.7 | 149.4 | 0 | 0 | 111.3 | D265 A266 I271 A272 Q273 | D265-E269 PolarHBondContact O-N 2.91Å; A266-E269 PolarHBondContact O-N 3.06Å; E269-I271 VanDerWaalsContact C-N 3.31Å; E269-I271 PolarHBondContact O-N 2.86Å; E269-A272 CarbonylContact O-C 3.24Å; E269-A272 WeakPolarHBondContact O-CA 3.24Å; E269-A272 WeakPolarHBondContact O-CB 3.45Å; E269-A272 PolarHBondContact O-N 3.14Å; E269-Q273 HydrophobicContact CG-CG 4.44Å; E269-Q273 WeakPolarHBondContact O-CG 3.36Å; E269-Q273 PolarHBondContact O-N 2.9Å; E269-Q273 PolarHBondContact OE1-NE2 2.79Å |
| 270 | Y | 96.4 | Very high | 88.2 | Confident | 129 Ų | 129 | 104.8 Ų | 104.8 | 51% | 0.506 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -55.5 | -44.6 | 174.4 | 173.1 | -102.2 | 0 | 0 | 0 | 112.1 | A266 A272 Q273 M274 | A266-Y270 WeakPolarHBondContact O-CB 3.46Å; A266-Y270 PolarHBondContact O-N 2.82Å; Y270-A272 VanDerWaalsContact C-N 3.32Å; Y270-A272 PolarHBondContact O-N 2.85Å; Y270-Q273 PolarHBondContact O-N 3Å; Y270-M274 HydrophobicContact CD1-CG 4.44Å; Y270-M274 HydrophobicContact CD2-CG 4.11Å; Y270-M274 HydrophobicContact CE1-CG 4.01Å; Y270-M274 HydrophobicContact CE2-CG 3.65Å; Y270-M274 HydrophobicContact CE2-SD 4.02Å; Y270-M274 HydrophobicContact CG-CG 4.49Å; Y270-M274 WeakPolarHBondContact O-CB 3.4Å; Y270-M274 VanDerWaalsContact O-CG 3.31Å; Y270-M274 WeakPolarHBondContact O-CG 3.4Å; Y270-M274 PolarHBondContact O-N 3.05Å |
| 271 | I | 95.8 | Very high | 86 | Confident | 86 Ų | 86 | 108 Ų | 108 | 44% | 0.441 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.3 | -40.9 | 174.2 | -70.6 | 169.2 | 0 | 0 | 0 | 111.3 | Y267 R268 E269 M274 S275 | Y267-I271 HydrophobicContact CD1-CD1 3.91Å; Y267-I271 HydrophobicContact CE1-CD1 3.52Å; Y267-I271 HydrophobicContact CE1-CG1 4.48Å; Y267-I271 WeakPolarHBondContact O-CG1 3.43Å; Y267-I271 PolarHBondContact O-N 2.94Å; Y267-I271 VanDerWaalsContact O-N 3.11Å; R268-I271 PolarHBondContact O-N 3.42Å; E269-I271 VanDerWaalsContact C-N 3.31Å; E269-I271 PolarHBondContact O-N 2.86Å; I271-M274 PolarHBondContact O-N 2.75Å; I271-S275 WeakPolarHBondContact O-CB 3.31Å; I271-S275 PolarHBondContact O-N 2.99Å; I271-S275 PolarHBondContact O-OG 2.79Å |
| 272 | A | 95.1 | Very high | 83.8 | Confident | 46 Ų | 46 | 109.3 Ų | 109.3 | 38% | 0.38 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.9 | -29.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R268 E269 Y270 S275 Q276 | R268-A272 PolarHBondContact O-N 3.35Å; E269-A272 CarbonylContact O-C 3.24Å; E269-A272 WeakPolarHBondContact O-CA 3.24Å; E269-A272 WeakPolarHBondContact O-CB 3.45Å; E269-A272 PolarHBondContact O-N 3.14Å; Y270-A272 VanDerWaalsContact C-N 3.32Å; Y270-A272 PolarHBondContact O-N 2.85Å; A272-S275 PolarHBondContact O-OG 2.94Å; A272-Q276 WeakPolarHBondContact O-CG 3.46Å; A272-Q276 PolarHBondContact O-NE2 3.02Å |
| 273 | Q | 94.3 | Very high | 81.1 | Confident | 106 Ų | 106 | 108.4 Ų | 108.4 | 50% | 0.495 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -72.9 | -44.6 | 172 | -68.9 | 179.8 | 13.8 | 0 | 0 | 110.7 | E269 Y270 Q276 | E269-Q273 HydrophobicContact CG-CG 4.44Å; E269-Q273 WeakPolarHBondContact O-CG 3.36Å; E269-Q273 PolarHBondContact O-N 2.9Å; E269-Q273 PolarHBondContact OE1-NE2 2.79Å; Y270-Q273 PolarHBondContact O-N 3Å; Q273-Q276 PolarHBondContact O-N 3.1Å |
| 274 | M | 88.6 | Confident | 78.5 | Confident | 84 Ų | 84 | 107 Ų | 107 | 41% | 0.414 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69 | -35.8 | 179.9 | -68.5 | -57.9 | -62.6 | 0 | 0 | 113.1 | Y270 I271 Q276 L277 E278 | Y270-M274 HydrophobicContact CD1-CG 4.44Å; Y270-M274 HydrophobicContact CD2-CG 4.11Å; Y270-M274 HydrophobicContact CE1-CG 4.01Å; Y270-M274 HydrophobicContact CE2-CG 3.65Å; Y270-M274 HydrophobicContact CE2-SD 4.02Å; Y270-M274 HydrophobicContact CG-CG 4.49Å; Y270-M274 WeakPolarHBondContact O-CB 3.4Å; Y270-M274 VanDerWaalsContact O-CG 3.31Å; Y270-M274 WeakPolarHBondContact O-CG 3.4Å; Y270-M274 PolarHBondContact O-N 3.05Å; I271-M274 PolarHBondContact O-N 2.75Å; M274-Q276 VanDerWaalsContact C-N 3.28Å; M274-Q276 PolarHBondContact O-N 3.11Å; M274-L277 HydrophobicContact CE-CD2 4.39Å; M274-L277 WeakPolarHBondContact O-CB 3.46Å; M274-L277 PolarHBondContact O-N 3.44Å; M274-E278 PolarHBondContact O-N 3.47Å |
| 275 | S | 87.1 | Confident | 75.8 | Confident | 72 Ų | 72 | 104.9 Ų | 104.9 | 50% | 0.503 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.1 | -29.3 | 176.9 | 65.2 | 0 | 0 | 0 | 0 | 113.1 | I271 A272 L277 G279 | I271-S275 WeakPolarHBondContact O-CB 3.31Å; I271-S275 PolarHBondContact O-N 2.99Å; I271-S275 PolarHBondContact O-OG 2.79Å; A272-S275 PolarHBondContact O-OG 2.94Å; S275-L277 VanDerWaalsContact C-N 3.27Å; S275-L277 PolarHBondContact O-N 3.41Å; S275-G279 PolarHBondContact O-N 2.69Å; S275-G279 VanDerWaalsContact O-N 3.15Å |
| 276 | Q | 78.2 | Confident | 73.4 | Confident | 148 Ų | 148 | 109 Ų | 109 | 69% | 0.692 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.8 | -20.6 | 171.1 | -72.8 | 173.1 | 91.6 | 0 | 0 | 113.2 | A272 Q273 M274 | A272-Q276 WeakPolarHBondContact O-CG 3.46Å; A272-Q276 PolarHBondContact O-NE2 3.02Å; Q273-Q276 PolarHBondContact O-N 3.1Å; M274-Q276 VanDerWaalsContact C-N 3.28Å; M274-Q276 PolarHBondContact O-N 3.11Å |
| 277 | L | 73.6 | Confident | 70.4 | Confident | 136 Ų | 136 | 111.6 Ų | 111.6 | 71% | 0.712 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -86.1 | -29.1 | 178.1 | -170 | 61.4 | 0 | 0 | 0 | 112.6 | M274 S275 | M274-L277 HydrophobicContact CE-CD2 4.39Å; M274-L277 WeakPolarHBondContact O-CB 3.46Å; M274-L277 PolarHBondContact O-N 3.44Å; S275-L277 VanDerWaalsContact C-N 3.27Å; S275-L277 PolarHBondContact O-N 3.41Å |
| 278 | E | 65.2 | Low | 67.7 | Low | 181 Ų | 181 | 109.3 Ų | 109.3 | 85% | 0.846 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -79.8 | -25.1 | 171.9 | -163.7 | 163.7 | -157.1 | 0 | 0 | 112.1 | M274 G280 | M274-E278 PolarHBondContact O-N 3.47Å; E278-G280 VanDerWaalsContact C-N 3.28Å; E278-G280 PolarHBondContact O-N 2.91Å |
| 279 | G | 59.4 | Low | 65 | Low | 55 Ų | 55 | 113.9 Ų | 113.9 | 57% | 0.567 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -70.7 | 73 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S275 | S275-G279 PolarHBondContact O-N 2.69Å; S275-G279 VanDerWaalsContact O-N 3.15Å |
| 280 | G | 45.6 | Very low | 62.1 | Low | 63 Ų | 63 | 114.2 Ų | 114.2 | 65% | 0.649 | 69% | 0.688 | S | S | * | * | trans | -51.8 | 147.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | E278 G282 | E278-G280 VanDerWaalsContact C-N 3.28Å; E278-G280 PolarHBondContact O-N 2.91Å; G280-G282 PolarHBondContact O-N 3.29Å | ||
| 281 | T | 51.8 | Low | 59.3 | Low | 156 Ų | 156 | 113.4 Ų | 113.4 | 96% | 0.957 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -40.1 | 111 | -172.7 | 53.3 | 0 | 0 | 0 | 0 | 115.9 | ||
| 282 | G | 50.5 | Low | 56.6 | Low | 71 Ų | 71 | 115 Ų | 115 | 73% | 0.732 | 72% | 0.718 | S | S | * | * | trans | -164 | 137.4 | 172 | 0 | 0 | 0 | 0 | 0 | 114.6 | G280 | G280-G282 PolarHBondContact O-N 3.29Š| ||
| 283 | S | 39.8 | Very low | 53.4 | Low | 98 Ų | 98 | 121.4 Ų | 121.4 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | trans | 67.3 | 78.2 | 169.4 | -150 | 0 | 0 | 0 | 0 | 119.2 | T285 | S283-T285 VanDerWaalsContact C-N 3.32Å; S283-T285 PolarHBondContact O-N 2.95Å; S283-T285 PolarHBondContact OG-OG1 3.24Å | ||
| 284 | S | 44 | Very low | 50.3 | Low | 135 Ų | 135 | 121.4 Ų | 121.4 | 94% | 0.944 | 75% | 0.751 | S | S | * | * | trans | -68.5 | 86.8 | 151.7 | -65.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 285 | T | 40.5 | Very low | 47.7 | Very low | 107 Ų | 107 | 122.4 Ų | 122.4 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | trans | -136.1 | 117.9 | 170.5 | 48.7 | 0 | 0 | 0 | 0 | 111.2 | S283 S287 | S283-T285 VanDerWaalsContact C-N 3.32Å; S283-T285 PolarHBondContact O-N 2.95Å; S283-T285 PolarHBondContact OG-OG1 3.24Å; T285-S287 PolarHBondContact O-N 3.39Å | ||
| 286 | I | 47.8 | Very low | 45 | Very low | 169 Ų | 169 | 128.5 Ų | 128.5 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | -76.9 | 112.9 | 176.6 | -167.9 | 169.2 | 0 | 0 | 0 | 110.5 | ||||
| 287 | S | 34.2 | Very low | 42.8 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -162.7 | 79 | 170.6 | -83.7 | 0 | 0 | 0 | 0 | 111.3 | T285 R289 | T285-S287 PolarHBondContact O-N 3.39Å; S287-R289 PolarHBondContact O-N 3.38Å | ||
| 288 | G | 41.3 | Very low | 40.9 | Very low | 84 Ų | 84 | 131.6 Ų | 131.6 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | -75.2 | 83.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 289 | R | 39.8 | Very low | 39.2 | Very low | 236 Ų | 236 | 126.7 Ų | 126.7 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | trans | -163.7 | 94 | 164.2 | -124.8 | 176 | -177.4 | -102.2 | 3.9 | 114.5 | S287 | S287-R289 PolarHBondContact O-N 3.38Š| ||
| 290 | S | 34.3 | Very low | 37.8 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | 179.1 | 141.6 | 131.9 | 38.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 291 | S | 39.3 | Very low | 37.1 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -86.7 | 136.2 | 169 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | H293 | S291-H293 PolarHBondContact O-N 3.23Š| ||
| 292 | P | 37.8 | Very low | 36.1 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -84.6 | 96.7 | -177.1 | 32.8 | -33.6 | 0 | 0 | 0 | 112.1 | ||||
| 293 | H | 28.3 | Very low | 35.2 | Very low | 181 Ų | 181 | 135.9 Ų | 135.9 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -144.1 | 97.1 | 155.2 | -136.3 | 68.6 | 0 | 0 | 0 | 114.3 | S291 | S291-H293 PolarHBondContact O-N 3.23Š| ||
| 294 | S | 29.2 | Very low | 34.8 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -152.2 | 146.7 | 165.9 | -163.7 | 0 | 0 | 0 | 0 | 105 | ||||
| 295 | T | 34.1 | Very low | 34.1 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 64% | 0.644 | 80% | 0.801 | S | S | * | * | cis | -161.7 | 135.6 | 30.1 | -47.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 296 | Y | 30.8 | Very low | 33.7 | Very low | 201 Ų | 201 | 132.8 Ų | 132.8 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | trans | -151.9 | 137.5 | 149.9 | -35 | -85 | 0 | 0 | 0 | 107.7 | ||||
| 297 | Y | 31.8 | Very low | 33 | Very low | 196 Ų | 196 | 131.4 Ų | 131.4 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | cis | -158 | 148.8 | 0.3 | -118.7 | -48.5 | 0 | 0 | 0 | 110.1 | ||||
| 298 | I | 33.1 | Very low | 32.9 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | trans | 54.6 | 126.2 | 152 | -72.4 | 155.6 | 0 | 0 | 0 | 120 | ||||
| 299 | G | 29 | Very low | 32.5 | Very low | 78 Ų | 78 | 134.9 Ų | 134.9 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -173.2 | 94 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 300 | Q | 30.2 | Very low | 31.9 | Very low | 180 Ų | 180 | 130.1 Ų | 130.1 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | -73.8 | 138.7 | -176.9 | -59 | 163.7 | -15.9 | 0 | 0 | 112.8 | ||||
| 301 | S | 31.3 | Very low | 31.7 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | 154.8 | 120.3 | 117.4 | -71.1 | 0 | 0 | 0 | 0 | 117 | |||||
| 302 | S | 30.6 | Very low | 31.6 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | 63.5 | 160.9 | 130 | -147.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 303 | S | 32.6 | Very low | 31.4 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | 67.1 | 142.2 | -176.8 | -155.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 304 | G | 31.7 | Very low | 31.7 | Very low | 70 Ų | 70 | 132.3 Ų | 132.3 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | cis | 178.2 | 127.9 | -6.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 305 | G | 29.5 | Very low | 31.7 | Very low | 87 Ų | 87 | 137.3 Ų | 137.3 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | -89.8 | 162.7 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 306 | S | 31.1 | Very low | 31.7 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -145.1 | 86.8 | 166 | -169.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 307 | I | 34.3 | Very low | 31.9 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -15.9 | 129.4 | 151.9 | 39.5 | 171.4 | 0 | 0 | 0 | 119.7 | ||||
| 308 | H | 30.3 | Very low | 31.6 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | 72.5 | 156.6 | 126.6 | -69.9 | -161 | 0 | 0 | 0 | 119.9 | |||||
| 309 | S | 33.1 | Very low | 31.4 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | cis | -168.7 | -156.8 | -11.7 | 56.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 310 | N | 26.9 | Very low | 31.3 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 87.9 | 137.6 | 178.6 | -83.9 | -105.5 | 0 | 0 | 0 | 116.8 | ||||
| 311 | L | 30.8 | Very low | 31.3 | Very low | 139 Ų | 139 | 135.1 Ų | 135.1 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | cis | -145 | 170.8 | -0.3 | -175.8 | 54 | 0 | 0 | 0 | 112.5 | ||||
| 312 | E | 36.9 | Very low | 31.2 | Very low | 151 Ų | 151 | 139 Ų | 139 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -66.6 | -170 | -174.3 | -57.8 | 173.2 | 139.2 | 0 | 0 | 115 | ||||
| 313 | Q | 33.5 | Very low | 31.2 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | cis | -175.5 | 145.5 | 36.1 | -148.1 | 160 | 82 | 0 | 0 | 107.8 | ||||
| 314 | E | 34.2 | Very low | 30.9 | Very low | 132 Ų | 132 | 143.6 Ų | 143.6 | 62% | 0.617 | 76% | 0.759 | S | S | * | * | cis | -163.4 | 173.3 | -3.9 | -158.3 | -145.3 | 136.6 | 0 | 0 | 109.6 | ||||
| 315 | R | 30.6 | Very low | 30.7 | Very low | 211 Ų | 211 | 146.2 Ų | 146.2 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | 71.6 | 130.8 | 163.1 | -52.9 | 179.8 | -165.3 | -123.2 | -19.3 | 119.6 | ||||
| 316 | G | 33.3 | Very low | 30.8 | Very low | 69 Ų | 69 | 144.7 Ų | 144.7 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | cis | 149.4 | 152.4 | -15.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 317 | K | 35.4 | Very low | 31.1 | Very low | 197 Ų | 197 | 148.1 Ų | 148.1 | 86% | 0.857 | 73% | 0.732 | S | S | * | * | trans | 78.5 | 140 | 174.4 | -61.1 | -170.9 | -179.7 | -166.3 | 0 | 116.7 | ||||
| 318 | E | 26.1 | Very low | 31.1 | Very low | 144 Ų | 144 | 150.5 Ų | 150.5 | 67% | 0.673 | 74% | 0.737 | S | S | * | * | cis | -171.6 | 120.5 | -10.6 | 179.3 | -164.7 | 107.5 | 0 | 0 | 110.6 | ||||
| 319 | N | 28.8 | Very low | 30.9 | Very low | 129 Ų | 129 | 145.6 Ų | 145.6 | 69% | 0.69 | 72% | 0.722 | S | S | * | * | 175.4 | 140.5 | 119.5 | -99.1 | -64.1 | 0 | 0 | 0 | 116.4 | |||||
| 320 | E | 27 | Very low | 30.5 | Very low | 179 Ų | 179 | 150 Ų | 150 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | trans | 48.8 | 135.8 | 154.6 | -145.9 | 156.5 | 104.2 | 0 | 0 | 125.5 | ||||
| 321 | L | 29.8 | Very low | 30.7 | Very low | 147 Ų | 147 | 150.9 Ų | 150.9 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | trans | -118 | 125.2 | 165.1 | -81.4 | 164.3 | 0 | 0 | 0 | 106.9 | ||||
| 322 | K | 29.6 | Very low | 30.5 | Very low | 190 Ų | 190 | 151.2 Ų | 151.2 | 83% | 0.826 | 73% | 0.733 | S | S | * | * | 75.3 | 97.8 | 78.7 | -168.4 | -178.3 | -175.1 | 175.7 | 0 | 114.7 | |||||
| 323 | Q | 28.7 | Very low | 30.2 | Very low | 177 Ų | 177 | 151.4 Ų | 151.4 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | trans | -132.6 | 139.3 | 156.5 | -80.5 | -177.6 | 12.3 | 0 | 0 | 107.2 | ||||
| 324 | E | 27.4 | Very low | 30.1 | Very low | 171 Ų | 171 | 154.3 Ų | 154.3 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | 66.3 | 141.9 | 78.7 | -110 | -167.8 | 144.1 | 0 | 0 | 113.8 | |||||
| 325 | E | 27.9 | Very low | 29.8 | Very low | 124 Ų | 124 | 151.2 Ų | 151.2 | 58% | 0.579 | 74% | 0.739 | S | S | * | * | cis | -153.4 | 150.6 | 4.2 | -166.7 | -131.3 | 122.8 | 0 | 0 | 110.7 | R327 | E325-R327 VanDerWaalsContact CD-NH2 3.3Å; E325-R327 IonicContact OE1-CZ 3.32Å; E325-R327 VanDerWaalsContact OE1-CZ 3.32Å; E325-R327 IonicContact OE1-NE 2.72Å; E325-R327 PolarHBondContact OE1-NE 3.24Å; E325-R327 IonicContact OE1-NH2 3.07Å; E325-R327 PolarHBondContact OE1-NH2 3.01Å; E325-R327 VanDerWaalsContact OE1-NH2 3.07Å; E325-R327 IonicContact OE2-CZ 3.53Å; E325-R327 IonicContact OE2-NE 3.69Å; E325-R327 IonicContact OE2-NH2 2.7Å; E325-R327 PolarHBondContact OE2-NH2 3.47Å | ||
| 326 | G | 31.3 | Very low | 29.8 | Very low | 55 Ų | 55 | 148.8 Ų | 148.8 | 57% | 0.567 | 74% | 0.742 | S | S | * | * | 111 | 127.2 | 129 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 327 | R | 36.8 | Very low | 29.8 | Very low | 191 Ų | 191 | 151.1 Ų | 151.1 | 72% | 0.721 | 74% | 0.742 | S | S | * | * | 88.5 | 104.5 | 123.6 | -63.2 | 162.5 | -162.1 | -159.1 | 6.9 | 121.4 | E325 | E325-R327 VanDerWaalsContact CD-NH2 3.3Å; E325-R327 IonicContact OE1-CZ 3.32Å; E325-R327 VanDerWaalsContact OE1-CZ 3.32Å; E325-R327 IonicContact OE1-NE 2.72Å; E325-R327 PolarHBondContact OE1-NE 3.24Å; E325-R327 IonicContact OE1-NH2 3.07Å; E325-R327 PolarHBondContact OE1-NH2 3.01Å; E325-R327 VanDerWaalsContact OE1-NH2 3.07Å; E325-R327 IonicContact OE2-CZ 3.53Å; E325-R327 IonicContact OE2-NE 3.69Å; E325-R327 IonicContact OE2-NH2 2.7Å; E325-R327 PolarHBondContact OE2-NH2 3.47Å | |||
| 328 | K | 34.8 | Very low | 29.8 | Very low | 188 Ų | 188 | 148.6 Ų | 148.6 | 82% | 0.817 | 74% | 0.737 | S | S | * | * | 34.6 | 145.9 | 118.9 | 69.3 | 160.7 | -177.4 | -179.6 | 0 | 119.9 | |||||
| 329 | S | 26 | Very low | 30.1 | Very low | 72 Ų | 72 | 148.4 Ų | 148.4 | 50% | 0.503 | 74% | 0.741 | S | S | . | * | cis | 174.9 | 165.6 | 4.1 | 38.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 330 | F | 24.6 | Very low | 30.3 | Very low | 189 Ų | 189 | 152.5 Ų | 152.5 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | trans | 87.3 | 146 | 155.3 | -52.4 | -60.8 | 0 | 0 | 0 | 122.1 | ||||
| 331 | L | 30.7 | Very low | 30.5 | Very low | 154 Ų | 154 | 148.2 Ų | 148.2 | 81% | 0.806 | 74% | 0.737 | S | S | * | * | trans | 89.4 | 111.4 | 141.3 | -122.7 | 87.7 | 0 | 0 | 0 | 122.9 | ||||
| 332 | M | 27.4 | Very low | 30.6 | Very low | 145 Ų | 145 | 146.2 Ų | 146.2 | 71% | 0.714 | 74% | 0.736 | S | S | * | * | trans | 16.4 | 125.5 | 132.8 | -66 | 173 | 61.5 | 0 | 0 | 121.9 | ||||
| 333 | K | 30.8 | Very low | 30.7 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 67% | 0.674 | 73% | 0.734 | S | S | * | * | 95.8 | 117.8 | 110.9 | -178.6 | 174.6 | -179.3 | 172.6 | 0 | 122.1 | |||||
| 334 | R | 30.7 | Very low | 30.8 | Very low | 222 Ų | 222 | 137.7 Ų | 137.7 | 84% | 0.838 | 73% | 0.732 | S | S | * | * | trans | 90.1 | 137.9 | 141.3 | -169.8 | -155.8 | -74.7 | 153.7 | -16 | 119 | ||||
| 335 | G | 28.7 | Very low | 31 | Very low | 66 Ų | 66 | 135.9 Ų | 135.9 | 68% | 0.68 | 73% | 0.733 | S | S | * | * | trans | 108.8 | 102.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 336 | D | 30.9 | Very low | 31.2 | Very low | 160 Ų | 160 | 135 Ų | 135 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | cis | 84.2 | 145.5 | 42.4 | -160.4 | 15.4 | 0 | 0 | 0 | 113.6 | ||||
| 337 | V | 32.4 | Very low | 31.2 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | trans | 80.6 | 92.2 | 176.5 | -168.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 338 | L | 36.5 | Very low | 31.1 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | 82 | 123.4 | 123.4 | -156.5 | 67.5 | 0 | 0 | 0 | 123.5 | |||||
| 339 | D | 32.4 | Very low | 31.2 | Very low | 140 Ų | 140 | 133.8 Ų | 133.8 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | trans | 65.6 | 140.1 | 148.8 | -67.5 | -12.4 | 0 | 0 | 0 | 126.6 | ||||
| 340 | Y | 31.2 | Very low | 31.7 | Very low | 216 Ų | 216 | 134 Ų | 134 | 85% | 0.847 | 75% | 0.75 | S | S | * | * | trans | 94 | 113.6 | 146.1 | -139.9 | -107.4 | 0 | 0 | 0 | 121.9 | ||||
| 341 | S | 32.5 | Very low | 32.3 | Very low | 88 Ų | 88 | 130.7 Ų | 130.7 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | trans | 68.5 | 123.7 | 147.3 | -72.5 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 342 | S | 30.7 | Very low | 32.9 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | trans | 85.9 | 119.6 | 134.9 | -159.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 343 | S | 32.7 | Very low | 33.4 | Very low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | trans | 70.6 | 124 | 138.4 | 58.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 344 | G | 30.7 | Very low | 33.9 | Very low | 77 Ų | 77 | 130 Ų | 130 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | 96.2 | 161.1 | 151.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 345 | V | 30.7 | Very low | 35 | Very low | 133 Ų | 133 | 125.3 Ų | 125.3 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | cis | -176.7 | 138.9 | -28 | 52.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 346 | S | 32.5 | Very low | 35.5 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | 63.2 | 154.9 | 169.4 | -67.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 347 | T | 31 | Very low | 35.7 | Very low | 121 Ų | 121 | 128 Ų | 128 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | cis | -157.6 | 165 | -11.7 | 15.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 348 | N | 34.5 | Very low | 36.8 | Very low | 127 Ų | 127 | 132 Ų | 132 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | trans | -20.9 | 153.8 | 166.8 | -49.9 | 17.5 | 0 | 0 | 0 | 118.1 | ||||
| 349 | E | 37.7 | Very low | 37.7 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | -163.6 | 164.5 | 58.8 | -97.2 | -53.3 | 146.2 | 0 | 0 | 115.9 | |||||
| 350 | A | 36.3 | Very low | 38.5 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 65% | 0.645 | 78% | 0.776 | S | S | * | * | trans | 67.4 | 112.6 | 155 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 351 | S | 38.1 | Very low | 39.6 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | 88.6 | 144.5 | 139.4 | -63.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 352 | P | 43.4 | Very low | 39.9 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | -90.7 | 158.9 | -163.2 | 36.8 | -37.3 | 0 | 0 | 0 | 114.5 | ||||
| 353 | L | 37.4 | Very low | 40.1 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -116 | 136.9 | 164.6 | -66.8 | 174.7 | 0 | 0 | 0 | 109.2 | ||||
| 354 | D | 40.9 | Very low | 40.2 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | -67 | 130.8 | 177.8 | -63.4 | -64.1 | 0 | 0 | 0 | 111.3 | I356 | D354-I356 VanDerWaalsContact C-N 3.33Å; D354-I356 PolarHBondContact O-N 3.23Å | ||
| 355 | P | 53.5 | Low | 40.4 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | trans | -75.8 | 85 | 176.8 | 30.6 | -34 | 0 | 0 | 0 | 111.3 | ||||
| 356 | I | 39.8 | Very low | 40.4 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | trans | 25.9 | 111.7 | 150.3 | 50.2 | 166.8 | 0 | 0 | 0 | 118.3 | D354 | D354-I356 VanDerWaalsContact C-N 3.33Å; D354-I356 PolarHBondContact O-N 3.23Å | ||
| 357 | T | 35.4 | Very low | 40.4 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -68.8 | 131 | 158.9 | 43.9 | 0 | 0 | 0 | 0 | 111.2 | E359 | T357-E359 PolarHBondContact O-N 3.01Å; T357-E359 VanDerWaalsContact O-N 3.15Å | ||
| 358 | E | 54 | Low | 40.3 | Very low | 200 Ų | 200 | 135.8 Ų | 135.8 | 94% | 0.935 | 77% | 0.767 | S | S | * | * | trans | -76.1 | 90.9 | 169.4 | 56.9 | -169.3 | 136.6 | 0 | 0 | 110.8 | ||||
| 359 | E | 56.4 | Low | 40.4 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 127.8 | 172.9 | -69.2 | -153.9 | 99.3 | 0 | 0 | 112.1 | T357 | T357-E359 PolarHBondContact O-N 3.01Å; T357-E359 VanDerWaalsContact O-N 3.15Å |
| 360 | D | 49.7 | Very low | 40.2 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 138.7 | -168.6 | 168.4 | 54.7 | 0 | 0 | 0 | 114.8 | K362 | D360-K362 PolarHBondContact O-NZ 3.37Å; D360-K362 IonicContact OD2-NZ 3.13Å; D360-K362 PolarHBondContact OD2-NZ 3.03Å |
| 361 | E | 54.1 | Low | 40.1 | Very low | 171 Ų | 171 | 142.3 Ų | 142.3 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 128.2 | -168.7 | -173.7 | -173.9 | 119.9 | 0 | 0 | 114 | ||
| 362 | K | 37.8 | Very low | 40.7 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | trans | -164.6 | 127.4 | 150.8 | 44.8 | -148.9 | 116.2 | -49.8 | 0 | 114.2 | D360 | D360-K362 PolarHBondContact O-NZ 3.37Å; D360-K362 IonicContact OD2-NZ 3.13Å; D360-K362 PolarHBondContact OD2-NZ 3.03Å | ||
| 363 | S | 35.2 | Very low | 40 | Very low | 101 Ų | 101 | 140.8 Ų | 140.8 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -55.2 | 158.6 | 171.9 | -49.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 364 | D | 34.1 | Very low | 39.8 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | -161.1 | -170.8 | 60.1 | -134.2 | -48.5 | 0 | 0 | 0 | 115.9 | |||||
| 365 | Q | 35.3 | Very low | 39.4 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -92.2 | 167.4 | -153.7 | -64.9 | 155.2 | 58.1 | 0 | 0 | 117.2 | ||||
| 366 | S | 31.6 | Very low | 38.1 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | 80 | 147.5 | 156.3 | -56.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 367 | G | 32.1 | Very low | 37.6 | Very low | 67 Ų | 67 | 141.4 Ų | 141.4 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | cis | 163.5 | 94.6 | -9.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 368 | S | 29.6 | Very low | 37.3 | Very low | 97 Ų | 97 | 144.5 Ų | 144.5 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | 73.4 | 148.6 | 152.7 | -122.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 369 | K | 35.9 | Very low | 36.5 | Very low | 179 Ų | 179 | 146.1 Ų | 146.1 | 78% | 0.778 | 79% | 0.789 | S | S | * | * | trans | 62.9 | 113 | 144 | -71 | 160.1 | -167.7 | 169.4 | 0 | 117.6 | ||||
| 370 | L | 34.6 | Very low | 36 | Very low | 165 Ų | 165 | 142.9 Ų | 142.9 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | -176.8 | 173.8 | 53.2 | -106 | 155.7 | 0 | 0 | 0 | 112.9 | |||||
| 371 | L | 32.7 | Very low | 35.3 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -96.8 | -173.5 | 171.4 | -57.5 | 173.8 | 0 | 0 | 0 | 110.8 | ||||
| 372 | P | 50.8 | Low | 34.7 | Very low | 128 Ų | 128 | 139 Ų | 139 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | -126.2 | 165.9 | -66.6 | 37.5 | -23.5 | 0 | 0 | 0 | 112.4 | |||||
| 373 | G | 28.1 | Very low | 34.7 | Very low | 80 Ų | 80 | 139.5 Ų | 139.5 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -162.7 | 132.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 374 | K | 34.9 | Very low | 34.7 | Very low | 202 Ų | 202 | 141.7 Ų | 141.7 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | trans | -95.3 | 136.5 | 172.2 | -61.1 | 170.9 | 178.3 | 174.9 | 0 | 110.6 | ||||
| 375 | K | 32.3 | Very low | 34.7 | Very low | 194 Ų | 194 | 141.2 Ų | 141.2 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | 148.4 | 132.9 | 119.1 | 71.9 | -155.9 | 174 | -179.2 | 0 | 116.2 | |||||
| 376 | S | 25.8 | Very low | 34.7 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | 43.8 | 135.8 | 139 | 63.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 377 | S | 29.1 | Very low | 34.9 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | 74.3 | 148.8 | 151.6 | -104.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 378 | E | 29.4 | Very low | 35.1 | Very low | 187 Ų | 187 | 145 Ų | 145 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | cis | -131.7 | -172.9 | 10.2 | -68.5 | -163.9 | 99.4 | 0 | 0 | 114.5 | ||||
| 379 | R | 37.8 | Very low | 35.7 | Very low | 235 Ų | 235 | 147 Ų | 147 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | -111.5 | -166.8 | 176.7 | -116.6 | -170.8 | 176.5 | 171.1 | -2.6 | 109.2 | ||||
| 380 | P | 46.1 | Very low | 35.6 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | -102.3 | -147.1 | -6.6 | 33.5 | -14.4 | 0 | 0 | 0 | 110 | ||||
| 381 | S | 33.6 | Very low | 35.5 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | cis | -162.2 | -172.2 | 2.6 | -141.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 382 | L | 41.1 | Very low | 35.5 | Very low | 123 Ų | 123 | 142 Ų | 142 | 64% | 0.644 | 77% | 0.771 | S | S | * | * | cis | -162 | 146.1 | -3.8 | -177.8 | 69.4 | 0 | 0 | 0 | 105 | ||||
| 383 | F | 38.7 | Very low | 34.7 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | cis | -87.3 | -151.7 | -12.3 | -77 | -81.9 | 0 | 0 | 0 | 108.7 | ||||
| 384 | Q | 35.9 | Very low | 35.2 | Very low | 147 Ų | 147 | 142.8 Ų | 142.8 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | cis | 68 | 160.3 | 12.1 | -85.9 | -172 | -76.6 | 0 | 0 | 115.9 | D386 | Q384-D386 PolarHBondContact NE2-OD2 3.15Š| ||
| 385 | T | 32.5 | Very low | 35.5 | Very low | 125 Ų | 125 | 144.7 Ų | 144.7 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | cis | -100.6 | -132.2 | 6.8 | 59.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 386 | D | 35.9 | Very low | 35.5 | Very low | 106 Ų | 106 | 145.7 Ų | 145.7 | 57% | 0.567 | 76% | 0.764 | S | S | * | * | trans | -161.2 | 166 | -134.9 | -72.4 | -83.1 | 0 | 0 | 0 | 112.8 | Q384 | Q384-D386 PolarHBondContact NE2-OD2 3.15Š| ||
| 387 | L | 37.1 | Very low | 35.9 | Very low | 131 Ų | 131 | 149.4 Ų | 149.4 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | cis | 168.2 | 122 | -27.8 | 173.1 | 63.1 | 0 | 0 | 0 | 107.6 | ||||
| 388 | K | 35.1 | Very low | 36 | Very low | 193 Ų | 193 | 152.9 Ų | 152.9 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | trans | -179.3 | 144.7 | 160.3 | -99.2 | 138.2 | 79.6 | 176.7 | 0 | 113.2 | ||||
| 389 | L | 41.6 | Very low | 36.7 | Very low | 138 Ų | 138 | 151 Ų | 151 | 72% | 0.723 | 77% | 0.765 | S | S | * | * | cis | -170.2 | 154.2 | -22.3 | -153.4 | 75 | 0 | 0 | 0 | 111.2 | ||||
| 390 | K | 34.2 | Very low | 37 | Very low | 203 Ų | 203 | 144.3 Ų | 144.3 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | trans | 73.1 | 137.4 | 150.7 | -149.3 | 176.2 | -173.3 | -178.5 | 0 | 117 | ||||
| 391 | G | 32.5 | Very low | 36.3 | Very low | 63 Ų | 63 | 144 Ų | 144 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | cis | 156.2 | 149.4 | -9.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 392 | S | 32.3 | Very low | 37 | Very low | 132 Ų | 132 | 147.2 Ų | 147.2 | 92% | 0.923 | 76% | 0.763 | S | S | * | * | trans | 71.6 | 150.4 | -179 | -154 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 393 | G | 35.1 | Very low | 37 | Very low | 60 Ų | 60 | 149.9 Ų | 149.9 | 62% | 0.619 | 77% | 0.772 | S | S | * | * | cis | 144.6 | 112 | -11.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 394 | L | 38.7 | Very low | 37.1 | Very low | 164 Ų | 164 | 149.7 Ų | 149.7 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | 52.3 | 119 | 163.1 | -56.9 | 178.3 | 0 | 0 | 0 | 120.5 | ||||
| 395 | R | 40 | Very low | 37.4 | Very low | 242 Ų | 242 | 150.9 Ų | 150.9 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | trans | -169.2 | 160.2 | 134.1 | 48.1 | -132.1 | -62.8 | 141.8 | -5.5 | 111.9 | ||||
| 396 | Y | 32.7 | Very low | 37.4 | Very low | 214 Ų | 214 | 150.7 Ų | 150.7 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -103.1 | 162.9 | -167.5 | -80.7 | -104.6 | 0 | 0 | 0 | 114.3 | ||||
| 397 | Q | 34.7 | Very low | 37.2 | Very low | 183 Ų | 183 | 148.4 Ų | 148.4 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | 65.6 | 135.7 | 165.1 | -49.3 | -148.1 | 35.7 | 0 | 0 | 115.6 | ||||
| 398 | K | 32.1 | Very low | 37 | Very low | 188 Ų | 188 | 148.6 Ų | 148.6 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | -168.5 | 151.3 | 52.1 | 173 | 170.9 | 179.4 | -172.9 | 0 | 110.9 | |||||
| 399 | L | 43 | Very low | 37.2 | Very low | 147 Ų | 147 | 146.7 Ų | 146.7 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -93.9 | 148.7 | 164.3 | -61.6 | 174 | 0 | 0 | 0 | 109.4 | ||||
| 400 | P | 44.8 | Very low | 36.9 | Very low | 96 Ų | 96 | 148.3 Ų | 148.3 | 62% | 0.623 | 79% | 0.794 | S | S | * | * | -113 | 163.6 | 76.8 | 0.1 | 22.3 | 0 | 0 | 0 | 111.6 | |||||
| 401 | S | 31.5 | Very low | 37.2 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | cis | 69.8 | 134.1 | 49.1 | -65.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 402 | D | 46.8 | Very low | 37.5 | Very low | 170 Ų | 170 | 147 Ų | 147 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -42.7 | 148.6 | 160.5 | -101 | -25.6 | 0 | 0 | 0 | 111.9 | ||||
| 403 | E | 42.4 | Very low | 37.5 | Very low | 178 Ų | 178 | 147.1 Ų | 147.1 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -121.9 | 145.9 | 169.2 | -65.9 | -168.4 | 127.6 | 0 | 0 | 110.3 | ||||
| 404 | D | 39.5 | Very low | 37.6 | Very low | 159 Ų | 159 | 149.3 Ų | 149.3 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -87.4 | 161.1 | -157.4 | -111.9 | -48.1 | 0 | 0 | 0 | 116.1 | ||||
| 405 | E | 43.1 | Very low | 37.6 | Very low | 172 Ų | 172 | 147.8 Ų | 147.8 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 15.2 | 147.6 | 141.6 | -163.6 | 164 | 93.3 | 0 | 0 | 122.6 | ||||
| 406 | S | 32.3 | Very low | 37.5 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | 76.1 | 147.1 | 168.1 | 78.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 407 | G | 31.7 | Very low | 37.9 | Very low | 59 Ų | 59 | 140.8 Ų | 140.8 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | cis | 176.5 | 174.2 | -5.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 408 | T | 34 | Very low | 38.1 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | 60.9 | 156.7 | 174.9 | 31.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 409 | E | 37.4 | Very low | 38.4 | Very low | 154 Ų | 154 | 139 Ų | 139 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | cis | -149.7 | 154.6 | -8.8 | 51.5 | -120.9 | 90.1 | 0 | 0 | 113 | ||||
| 410 | E | 36.9 | Very low | 38.2 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 27.8 | 167.1 | 151.1 | 81.1 | -178 | 173.5 | 0 | 0 | 127.5 | ||||
| 411 | S | 39.6 | Very low | 37.7 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | 77.5 | 80.2 | 159.4 | 67.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 412 | D | 39.7 | Very low | 37.9 | Very low | 135 Ų | 135 | 144.9 Ų | 144.9 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | 6.1 | 125.7 | 114.8 | -179.2 | 35.8 | 0 | 0 | 0 | 118.3 | |||||
| 413 | N | 31.1 | Very low | 37.3 | Very low | 136 Ų | 136 | 145.8 Ų | 145.8 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | -178 | 152.7 | 121.3 | -106.6 | -92.7 | 0 | 0 | 0 | 114.4 | |||||
| 414 | T | 37.3 | Very low | 36.8 | Very low | 105 Ų | 105 | 147.3 Ų | 147.3 | 64% | 0.644 | 78% | 0.78 | S | S | * | * | trans | -70.2 | 149.6 | -179.5 | 33.3 | 0 | 0 | 0 | 0 | 114.8 | L416 | T414-L416 PolarHBondContact O-N 2.91Š| ||
| 415 | P | 39.3 | Very low | 36.6 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | trans | -77.3 | 101.2 | 170.6 | 31.5 | -32.8 | 0 | 0 | 0 | 111 | ||||
| 416 | L | 37.8 | Very low | 35.9 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | -79.1 | 139.1 | 171.3 | -89.5 | 167.1 | 0 | 0 | 0 | 112.3 | T414 | T414-L416 PolarHBondContact O-N 2.91Š| ||
| 417 | L | 40.2 | Very low | 36 | Very low | 152 Ų | 152 | 140.8 Ų | 140.8 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | -62 | 151.2 | 166.6 | -74.9 | 164.2 | 0 | 0 | 0 | 111.2 | ||||
| 418 | K | 40.8 | Very low | 36.1 | Very low | 202 Ų | 202 | 146.4 Ų | 146.4 | 88% | 0.878 | 77% | 0.772 | S | S | * | * | trans | -139.4 | 128.6 | 160 | -76.3 | -172.7 | 173.6 | 169.9 | 0 | 109.8 | ||||
| 419 | D | 37.1 | Very low | 36.1 | Very low | 130 Ų | 130 | 144.1 Ų | 144.1 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | trans | -92.5 | 175.7 | -169.3 | -48.6 | -90.5 | 0 | 0 | 0 | 113.6 | ||||
| 420 | D | 39.6 | Very low | 35.8 | Very low | 152 Ų | 152 | 144 Ų | 144 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | 63.5 | 141.3 | 162.8 | -66.1 | -43.6 | 0 | 0 | 0 | 118.2 | ||||
| 421 | K | 34 | Very low | 35.6 | Very low | 190 Ų | 190 | 145.5 Ų | 145.5 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | -171 | 160.2 | 57.1 | -161.3 | 157.8 | -169 | 143.5 | 0 | 113.8 | |||||
| 422 | D | 36.2 | Very low | 35.2 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | trans | -68.8 | 150.1 | -174.9 | -37.2 | -107.3 | 0 | 0 | 0 | 116.8 | ||||
| 423 | K | 34.6 | Very low | 34.8 | Very low | 190 Ų | 190 | 143.8 Ų | 143.8 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | 171.8 | 142.1 | 106.4 | -97.7 | 152.2 | -172.4 | 170.6 | 0 | 116.6 | |||||
| 424 | K | 31.8 | Very low | 34.7 | Very low | 209 Ų | 209 | 147 Ų | 147 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | 67.7 | 157 | 159.9 | -69.9 | -172.2 | 172.5 | -171.3 | 0 | 116.4 | ||||
| 425 | A | 34.1 | Very low | 34.1 | Very low | 92 Ų | 92 | 146.9 Ų | 146.9 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | cis | -142.2 | 154.7 | 10.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 426 | E | 28.4 | Very low | 34 | Very low | 159 Ų | 159 | 146.5 Ų | 146.5 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | 8.9 | 134.8 | 153.4 | -165.8 | 172.8 | -179.7 | 0 | 0 | 123.5 | K428 | E426-K428 WeakPolarHBondContact OE1-CE 3.43Å; E426-K428 IonicContact OE1-NZ 3.08Å; E426-K428 PolarHBondContact OE1-NZ 3.25Å | ||
| 427 | G | 34 | Very low | 33.6 | Very low | 65 Ų | 65 | 147.2 Ų | 147.2 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | 154.6 | 92 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 428 | K | 34.6 | Very low | 33.1 | Very low | 176 Ų | 176 | 148 Ų | 148 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | 47.5 | 119.3 | 80.8 | -68 | 172.4 | 178.8 | 158.2 | 0 | 112.8 | E426 | E426-K428 WeakPolarHBondContact OE1-CE 3.43Å; E426-K428 IonicContact OE1-NZ 3.08Å; E426-K428 PolarHBondContact OE1-NZ 3.25Å | |||
| 429 | A | 33.3 | Very low | 32.5 | Very low | 86 Ų | 86 | 144.1 Ų | 144.1 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | cis | -161.6 | 178.8 | -0.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 430 | E | 30.6 | Very low | 32.4 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 51.5 | 126.9 | 137.6 | -164.2 | 154.6 | -153.8 | 0 | 0 | 120.3 | ||||
| 431 | R | 34.5 | Very low | 32.1 | Very low | 205 Ų | 205 | 144.2 Ų | 144.2 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | cis | -173.8 | 167.9 | -7.2 | -116 | -179.1 | -167.8 | 158.3 | -8.9 | 109.3 | ||||
| 432 | V | 29.7 | Very low | 32.8 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | trans | 60.4 | 107.5 | 138.4 | 173.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 433 | A | 31.1 | Very low | 32.7 | Very low | 76 Ų | 76 | 141.9 Ų | 141.9 | 63% | 0.628 | 77% | 0.766 | S | S | * | * | 90.4 | 118.6 | 126.9 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 434 | K | 28.8 | Very low | 32.7 | Very low | 204 Ų | 204 | 142.6 Ų | 142.6 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | 75.5 | 136.9 | 123.4 | -66.5 | 176.7 | -178.6 | -176.1 | 0 | 120 | |||||
| 435 | S | 25.6 | Very low | 33 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | trans | -71.9 | 173.1 | 157.8 | 61.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 436 | P | 37.8 | Very low | 33.1 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | -136 | -175 | 77 | 38.7 | -23.7 | 0 | 0 | 0 | 114.2 | |||||
| 437 | E | 27.9 | Very low | 33.8 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | trans | -88.7 | 176.7 | -172.9 | -60.3 | 150.2 | 91.6 | 0 | 0 | 114.5 | ||||
| 438 | H | 31.1 | Very low | 33.9 | Very low | 168 Ų | 168 | 149.9 Ų | 149.9 | 78% | 0.778 | 78% | 0.776 | S | S | * | * | trans | 80.5 | 112.2 | 141.9 | -133 | -35.1 | 0 | 0 | 0 | 120.2 | ||||
| 439 | S | 28.8 | Very low | 34.2 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -174.4 | 167.6 | 134.7 | 29.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 440 | V | 34.2 | Very low | 34.3 | Very low | 110 Ų | 110 | 149.4 Ų | 149.4 | 67% | 0.667 | 78% | 0.776 | S | S | * | * | trans | -133.9 | 133.7 | -163.5 | 173.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 441 | E | 32.1 | Very low | 34.5 | Very low | 175 Ų | 175 | 150.3 Ų | 150.3 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 61.5 | 175 | 165.9 | -72.9 | -177.7 | -172.8 | 0 | 0 | 117.3 | ||||
| 442 | P | 50.4 | Low | 34.8 | Very low | 106 Ų | 106 | 149 Ų | 149 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | -132.4 | 176.2 | -63.8 | 39.2 | -24.9 | 0 | 0 | 0 | 112 | |||||
| 443 | I | 32.8 | Very low | 35.2 | Very low | 163 Ų | 163 | 150.4 Ų | 150.4 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -174.4 | 143.8 | 133.2 | -98.6 | 153.8 | 0 | 0 | 0 | 113.5 | ||||
| 444 | R | 35.7 | Very low | 35.3 | Very low | 206 Ų | 206 | 152.2 Ų | 152.2 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | -46.3 | 143.2 | -178.4 | -55.2 | 155.3 | -179 | 163.5 | -0.4 | 116.1 | F446 | R444-F446 HydrophobicContact CB-CE2 4.31Å; R444-F446 HydrophobicContact CG-CE2 4.49Å | ||
| 445 | T | 37.6 | Very low | 35.8 | Very low | 145 Ų | 145 | 150.2 Ų | 150.2 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -134.3 | 142.6 | 136.1 | -34.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 446 | F | 35.7 | Very low | 36.3 | Very low | 168 Ų | 168 | 149 Ų | 149 | 74% | 0.737 | 78% | 0.783 | S | S | * | * | trans | -101.6 | 155.3 | -179.2 | -70.2 | -100.9 | 0 | 0 | 0 | 111.5 | R444 | R444-F446 HydrophobicContact CB-CE2 4.31Å; R444-F446 HydrophobicContact CG-CE2 4.49Å | ||
| 447 | I | 44.5 | Very low | 36.6 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | 160.9 | 101.7 | 148.7 | -86.3 | 152.2 | 0 | 0 | 0 | 105.9 | ||||
| 448 | K | 35.5 | Very low | 37.8 | Very low | 199 Ų | 199 | 149.7 Ų | 149.7 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | 94.7 | 80.6 | 60.8 | -173.1 | -164.5 | 174.5 | -177.9 | 0 | 113.2 | |||||
| 449 | A | 39.7 | Very low | 38.7 | Very low | 98 Ų | 98 | 148.5 Ų | 148.5 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -158.4 | 80.5 | 152.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 450 | K | 35.8 | Very low | 39.7 | Very low | 153 Ų | 153 | 151.8 Ų | 151.8 | 67% | 0.665 | 78% | 0.782 | S | S | * | * | 57.5 | 102.1 | 102.2 | -165.3 | -177.5 | -178.9 | -170.5 | 0 | 113.6 | Y452 | K450-Y452 HydrophobicContact CD-CE2 4.16Å; K450-Y452 PolarHBondContact NZ-OH 3.15Å | |||
| 451 | E | 35.3 | Very low | 40.7 | Very low | 171 Ų | 171 | 155.8 Ų | 155.8 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -65 | 152.5 | 173.3 | -48.2 | 94.7 | 141.1 | 0 | 0 | 112.7 | ||||
| 452 | Y | 41 | Very low | 41.7 | Very low | 176 Ų | 176 | 154.3 Ų | 154.3 | 69% | 0.69 | 79% | 0.788 | S | S | * | * | trans | -144.4 | 125.8 | 154.4 | -98.3 | -86.8 | 0 | 0 | 0 | 110.6 | K450 | K450-Y452 HydrophobicContact CD-CE2 4.16Å; K450-Y452 PolarHBondContact NZ-OH 3.15Å | ||
| 453 | L | 38 | Very low | 41.2 | Very low | 155 Ų | 155 | 155 Ų | 155 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | 62.7 | 106.5 | 155.6 | -57.3 | 169.7 | 0 | 0 | 0 | 118.6 | ||||
| 454 | S | 34 | Very low | 41.9 | Very low | 114 Ų | 114 | 153.1 Ų | 153.1 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -100.9 | 160.7 | 144.8 | -52.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 455 | D | 38.3 | Very low | 42.2 | Very low | 161 Ų | 161 | 150.7 Ų | 150.7 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | 62.4 | 143.7 | -179.6 | -71.6 | -22.8 | 0 | 0 | 0 | 116.4 | ||||
| 456 | A | 36.7 | Very low | 42.6 | Very low | 78 Ų | 78 | 148.9 Ų | 148.9 | 65% | 0.645 | 79% | 0.793 | S | S | * | * | cis | -149.7 | 172.7 | 18.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 457 | L | 43.1 | Very low | 42.9 | Very low | 159 Ų | 159 | 143.9 Ų | 143.9 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | 72.6 | 127 | 157.8 | -64.8 | 163.3 | 0 | 0 | 0 | 115.8 | ||||
| 458 | L | 53 | Low | 43 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | cis | -138.2 | 138.8 | 12.1 | -95.2 | 148 | 0 | 0 | 0 | 112.2 | ||||
| 459 | D | 51.3 | Low | 43.4 | Very low | 143 Ų | 143 | 143.5 Ų | 143.5 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | -67.2 | 125.4 | 151.3 | 159.6 | 44.7 | 0 | 0 | 0 | 109.5 | ||||
| 460 | K | 49.7 | Very low | 43.3 | Very low | 190 Ų | 190 | 145 Ų | 145 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -172.9 | 145.6 | 139.8 | -110.9 | 168.7 | -175.4 | 178.8 | 0 | 113.8 | ||||
| 461 | K | 55.6 | Low | 43.2 | Very low | 194 Ų | 194 | 143.5 Ų | 143.5 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | 90.2 | 117.7 | 157.2 | -165.2 | 171.6 | -179 | 178.7 | 0 | 116.8 | ||||
| 462 | D | 51.7 | Low | 43.2 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -47.3 | 135.4 | 164.5 | -60.3 | -103.6 | 0 | 0 | 0 | 113.9 | ||||
| 463 | S | 40 | Very low | 42.8 | Very low | 122 Ų | 122 | 139 Ų | 139 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -146.8 | 117.6 | 139.9 | -84.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 464 | S | 48.2 | Very low | 43.1 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -74.8 | 135.7 | 170.7 | -56.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 465 | D | 41.9 | Very low | 43.6 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | -139.6 | 137.5 | 155.5 | -172.6 | 18.7 | 0 | 0 | 0 | 109.7 | G467 | D465-G467 PolarHBondContact O-N 2.9Š| ||
| 466 | S | 45.8 | Very low | 43.4 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | -103.6 | 64.4 | -168.3 | 57 | 0 | 0 | 0 | 0 | 111.7 | V468 | S466-V468 PolarHBondContact O-N 2.66Š| ||
| 467 | G | 41.9 | Very low | 43.1 | Very low | 64 Ų | 64 | 141.7 Ų | 141.7 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | trans | -72 | 87.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D465 R469 | D465-G467 PolarHBondContact O-N 2.9Å; G467-R469 PolarHBondContact O-N 2.94Å | ||
| 468 | V | 46.9 | Very low | 42.7 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -60.1 | 130.7 | 175 | -71.5 | 0 | 0 | 0 | 0 | 111.8 | S466 | S466-V468 PolarHBondContact O-N 2.66Š| ||
| 469 | R | 43.9 | Very low | 41.8 | Very low | 221 Ų | 221 | 138.7 Ų | 138.7 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | -133.7 | 101.4 | 173.5 | -61 | -176.7 | 94.6 | 137.5 | 4.9 | 109.7 | G467 N471 | G467-R469 PolarHBondContact O-N 2.94Å; R469-N471 PolarHBondContact O-N 2.77Å | ||
| 470 | S | 36.9 | Very low | 40.8 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | -83 | 107.4 | 168.9 | -58 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 471 | N | 33.3 | Very low | 40.1 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 65% | 0.647 | 77% | 0.77 | S | S | * | * | trans | -101.7 | 140.8 | 176.2 | -104.3 | 83.9 | 0 | 0 | 0 | 110.5 | R469 | R469-N471 PolarHBondContact O-N 2.77Š| ||
| 472 | E | 35.4 | Very low | 39.4 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 73% | 0.729 | 77% | 0.769 | S | S | * | * | trans | 67.1 | 128.1 | 145.8 | -126.2 | 62.7 | -117.1 | 0 | 0 | 119.3 | ||||
| 473 | S | 33.3 | Very low | 38.6 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | cis | -168 | 162.6 | -25.2 | -106.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 474 | S | 45.1 | Very low | 38.5 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | trans | -74.1 | 166.2 | 170.8 | -48 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 475 | P | 43.6 | Very low | 37.8 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | -146.2 | -174.8 | 105.2 | 36.8 | -19.2 | 0 | 0 | 0 | 115.7 | |||||
| 476 | N | 33.5 | Very low | 37.2 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | trans | -103.5 | 176.3 | -163.5 | -71.2 | -68.4 | 0 | 0 | 0 | 116.3 | ||||
| 477 | H | 32.2 | Very low | 36.7 | Very low | 180 Ų | 180 | 132 Ų | 132 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | trans | 78.2 | 145.4 | 156.9 | -95.1 | -78.8 | 0 | 0 | 0 | 117.8 | ||||
| 478 | S | 33.8 | Very low | 36.3 | Very low | 88 Ų | 88 | 136.7 Ų | 136.7 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | cis | -163.7 | -178.9 | 13.8 | -156.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 479 | L | 33.9 | Very low | 35.8 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | 79 | 158.6 | 164.9 | -52.2 | -177.7 | 0 | 0 | 0 | 119 | ||||
| 480 | H | 29.9 | Very low | 35.3 | Very low | 160 Ų | 160 | 134 Ų | 134 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | cis | -175.1 | 167 | -34.9 | -169.6 | 29.3 | 0 | 0 | 0 | 109.2 | ||||
| 481 | N | 34.5 | Very low | 35.3 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 60% | 0.599 | 75% | 0.75 | S | S | * | * | trans | 66.5 | 131.2 | -179.9 | -70.7 | 24.6 | 0 | 0 | 0 | 116.5 | ||||
| 482 | E | 42.8 | Very low | 35.6 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | 81.6 | 136 | 53.2 | -76 | -154.6 | 122.2 | 0 | 0 | 113.8 | |||||
| 483 | A | 34.1 | Very low | 35.5 | Very low | 88 Ų | 88 | 134.3 Ų | 134.3 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | cis | -162.4 | -165.2 | -3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 484 | A | 38.8 | Very low | 35.6 | Very low | 90 Ų | 90 | 137.2 Ų | 137.2 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | trans | 77 | 127.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 485 | D | 32.3 | Very low | 35.5 | Very low | 159 Ų | 159 | 140.1 Ų | 140.1 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | 69.3 | 134.2 | 56.1 | -73.5 | -18.3 | 0 | 0 | 0 | 113.1 | |||||
| 486 | D | 30.2 | Very low | 35 | Very low | 129 Ų | 129 | 141 Ų | 141 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | cis | -147.1 | 164.7 | 7.5 | -162.5 | -16.9 | 0 | 0 | 0 | 110.2 | ||||
| 487 | S | 34.9 | Very low | 35.4 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -158.5 | 64.9 | 172.9 | -77.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 488 | Q | 33.1 | Very low | 35.4 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | trans | -94.3 | 103.4 | 179 | -167.6 | 178.5 | -83.7 | 0 | 0 | 114.6 | ||||
| 489 | L | 37 | Very low | 36 | Very low | 144 Ų | 144 | 146 Ų | 146 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | 46.9 | 159.4 | 133.6 | -51.3 | 174.6 | 0 | 0 | 0 | 123.2 | ||||
| 490 | E | 32.9 | Very low | 36 | Very low | 155 Ų | 155 | 147 Ų | 147 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | trans | 72 | 152.9 | 156.4 | -67.4 | -140.5 | 133.6 | 0 | 0 | 118.5 | ||||
| 491 | K | 37.8 | Very low | 36 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | cis | -167.9 | 170.8 | -29.7 | -160.6 | 149 | 169 | 177.9 | 0 | 109.1 | ||||
| 492 | A | 38.5 | Very low | 36.3 | Very low | 87 Ų | 87 | 145 Ų | 145 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | trans | -74.6 | 133.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 493 | N | 33.3 | Very low | 35.9 | Very low | 152 Ų | 152 | 143 Ų | 143 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -161.7 | 120.3 | 149.8 | -79.7 | -50.8 | 0 | 0 | 0 | 103.9 | ||||
| 494 | L | 36.7 | Very low | 35.9 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | 54.7 | 97.9 | 50.6 | -163.4 | 73.5 | 0 | 0 | 0 | 112.7 | |||||
| 495 | I | 42.6 | Very low | 35.9 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -143.2 | 147.8 | 148.4 | -100.2 | 156.9 | 0 | 0 | 0 | 107.3 | ||||
| 496 | E | 32.2 | Very low | 36.2 | Very low | 150 Ų | 150 | 151 Ų | 151 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -118.6 | 137.4 | -165.8 | 170.7 | 177.8 | -111.3 | 0 | 0 | 108.4 | E498 | E496-E498 HydrophobicContact CG-CG 4.31Š| ||
| 497 | L | 42.7 | Very low | 36.2 | Very low | 174 Ų | 174 | 148.2 Ų | 148.2 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | -141.6 | 99.8 | 167.9 | -77.8 | -179 | 0 | 0 | 0 | 108.8 | ||||
| 498 | E | 32.4 | Very low | 36.6 | Very low | 176 Ų | 176 | 150.9 Ų | 150.9 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -82.5 | 149.7 | 169.8 | -56.6 | -176.9 | 118.4 | 0 | 0 | 110.7 | E496 | E496-E498 HydrophobicContact CG-CG 4.31Š| ||
| 499 | D | 45 | Very low | 37.4 | Very low | 170 Ų | 170 | 149.2 Ų | 149.2 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -140.7 | 144 | 149.5 | -170.1 | 21.6 | 0 | 0 | 0 | 108 | ||||
| 500 | E | 34 | Very low | 37.1 | Very low | 179 Ų | 179 | 150.7 Ų | 150.7 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -118 | 147.1 | -154.6 | -150.7 | -140.7 | 111.1 | 0 | 0 | 115 | ||||
| 501 | G | 31.1 | Very low | 37.2 | Very low | 50 Ų | 50 | 148.4 Ų | 148.4 | 52% | 0.515 | 81% | 0.807 | S | S | . | * | trans | 95.1 | 136.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 502 | H | 39.8 | Very low | 37 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | cis | -149.4 | 129.6 | 42.7 | -80.6 | 62.7 | 0 | 0 | 0 | 114.9 | ||||
| 503 | S | 35.1 | Very low | 36.7 | Very low | 132 Ų | 132 | 149.4 Ų | 149.4 | 92% | 0.923 | 82% | 0.818 | S | S | * | * | trans | 69.2 | 163 | 150.5 | 80 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 504 | G | 34.5 | Very low | 36.6 | Very low | 74 Ų | 74 | 145.6 Ų | 145.6 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | trans | 120.3 | 42.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | R506 | G504-R506 PolarHBondContact O-N 2.7Š| ||
| 505 | K | 37.9 | Very low | 36.4 | Very low | 196 Ų | 196 | 145.3 Ų | 145.3 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | trans | -65.6 | 118.6 | -178 | -70.3 | 174.8 | -179.2 | 169.9 | 0 | 114.9 | ||||
| 506 | R | 38.9 | Very low | 35.9 | Very low | 234 Ų | 234 | 146.1 Ų | 146.1 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | 60.8 | 119.1 | 124.6 | -166.6 | -163.2 | -56.7 | -174.7 | 0.4 | 120 | G504 | G504-R506 PolarHBondContact O-N 2.7Š| |||
| 507 | G | 29.9 | Very low | 35.9 | Very low | 72 Ų | 72 | 146 Ų | 146 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | 150.2 | 124.2 | 148.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 508 | M | 42.4 | Very low | 36.6 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -85.9 | 159.2 | 157.6 | -64.3 | -92.5 | 87.3 | 0 | 0 | 109.5 | ||||
| 509 | P | 50.9 | Low | 36.6 | Very low | 129 Ų | 129 | 140 Ų | 140 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | -147.4 | -178.5 | 104 | 38.7 | -22.2 | 0 | 0 | 0 | 115.9 | |||||
| 510 | H | 30.9 | Very low | 36.2 | Very low | 174 Ų | 174 | 137.9 Ų | 137.9 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -90.3 | 160.9 | -166.1 | -68 | -95.7 | 0 | 0 | 0 | 117.4 | ||||
| 511 | S | 33.8 | Very low | 36.3 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | 73.7 | 163 | 145.2 | -62.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 512 | L | 34.7 | Very low | 36.7 | Very low | 158 Ų | 158 | 141.9 Ų | 141.9 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | cis | -139.5 | 170 | 14.7 | -89.2 | 177.1 | 0 | 0 | 0 | 113.5 | ||||
| 513 | S | 31 | Very low | 36.3 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | 96.1 | 131.6 | 166.4 | -40.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 514 | G | 32.4 | Very low | 36.3 | Very low | 72 Ų | 72 | 140.9 Ų | 140.9 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | cis | 154.3 | 154.5 | -3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 515 | L | 32.3 | Very low | 36.6 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | cis | -164.3 | 138.5 | -1.6 | -136.8 | 170.7 | 0 | 0 | 0 | 109.2 | ||||
| 516 | Q | 31.8 | Very low | 36.4 | Very low | 187 Ų | 187 | 140.5 Ų | 140.5 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | 70.1 | 170.4 | 165.9 | -83.8 | 156.4 | 3.5 | 0 | 0 | 120.1 | ||||
| 517 | D | 32.7 | Very low | 36.6 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -147.4 | -168 | -149 | -159.9 | 29.1 | 0 | 0 | 0 | 108.1 | ||||
| 518 | P | 57.3 | Low | 36.9 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 60% | 0.604 | 79% | 0.789 | S | S | * | * | -115.5 | -164.5 | -56 | 22.8 | -1 | 0 | 0 | 0 | 113.1 | |||||
| 519 | V | 32.8 | Very low | 36.7 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | trans | 82 | 153.4 | 153.9 | -146.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 520 | I | 36.1 | Very low | 36.2 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 65% | 0.646 | 77% | 0.772 | S | S | * | * | trans | 90 | 101.5 | 162.8 | -48.6 | -177.3 | 0 | 0 | 0 | 118 | ||||
| 521 | A | 37.1 | Very low | 36.7 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -57.7 | 149.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 522 | R | 39.3 | Very low | 36.9 | Very low | 216 Ų | 216 | 138.6 Ų | 138.6 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | trans | -148.6 | 144.7 | 172.1 | -56 | -178 | -166.6 | -100.1 | -14.7 | 110.3 | ||||
| 523 | M | 30 | Very low | 37.4 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | trans | -87.5 | 150.8 | 179 | -39.5 | 89.9 | 72.5 | 0 | 0 | 112.9 | ||||
| 524 | S | 36.3 | Very low | 37.7 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 171.6 | 132.9 | 147.6 | -73.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 525 | I | 39.8 | Very low | 37.9 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | cis | 73.7 | 105.2 | 25.3 | -54.9 | -176.4 | 0 | 0 | 0 | 114.4 | ||||
| 526 | C | 34.5 | Very low | 37.9 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | trans | 63.3 | 157.8 | 163.8 | -62.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 527 | S | 42.5 | Very low | 37.8 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | cis | -171.4 | 150.7 | -26.6 | -90.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 528 | E | 37.5 | Very low | 37.9 | Very low | 169 Ų | 169 | 135 Ų | 135 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | -141.2 | 113.7 | 162.6 | -173.6 | 79.3 | 45.3 | 0 | 0 | 109.4 | ||||
| 529 | D | 38.3 | Very low | 36.8 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 57% | 0.567 | 76% | 0.764 | S | S | * | * | trans | -78 | 145.1 | 170.8 | 156.1 | 58.5 | 0 | 0 | 0 | 110.2 | K531 | D529-K531 PolarHBondContact OD1-N 3.07Š| ||
| 530 | K | 39.3 | Very low | 36.7 | Very low | 183 Ų | 183 | 136 Ų | 136 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | trans | -148.7 | 97.2 | 132.4 | -61.8 | -157.9 | -172.8 | -141.9 | 0 | 112.1 | ||||
| 531 | K | 41 | Very low | 36.5 | Very low | 195 Ų | 195 | 135.9 Ų | 135.9 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | 159.6 | 120.8 | 101.2 | -165.4 | 164.9 | -174.7 | 177.4 | 0 | 112.7 | D529 | D529-K531 PolarHBondContact OD1-N 3.07Š| |||
| 532 | S | 37.8 | Very low | 36.2 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | trans | -78.7 | -173.8 | -176.9 | -22.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 533 | P | 46.6 | Very low | 36.8 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | cis | -140.8 | -172.6 | 3.1 | 41.7 | -22.4 | 0 | 0 | 0 | 117.1 | ||||
| 534 | S | 36.7 | Very low | 36.9 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | 77.9 | 133.6 | 147.7 | -69.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 535 | E | 37.1 | Very low | 37.1 | Very low | 178 Ų | 178 | 134 Ų | 134 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | cis | -146.2 | 170.3 | -2.2 | -56.3 | -164.9 | 91.1 | 0 | 0 | 113.1 | ||||
| 536 | C | 31.4 | Very low | 36.6 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | 62 | 79.8 | 150.6 | -70.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 537 | S | 30.5 | Very low | 36.6 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | 42.8 | 116.8 | 107.8 | -60 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 538 | L | 35.1 | Very low | 36.3 | Very low | 154 Ų | 154 | 139 Ų | 139 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | 92.6 | 128.9 | 121.3 | -68.7 | 174.8 | 0 | 0 | 0 | 123.5 | |||||
| 539 | I | 33.1 | Very low | 35.9 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | 76.6 | 124.3 | 146.5 | 65.2 | 162.6 | 0 | 0 | 0 | 124.4 | ||||
| 540 | A | 31.2 | Very low | 35.4 | Very low | 89 Ų | 89 | 137.3 Ų | 137.3 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | 90.9 | 134.2 | 136.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 541 | S | 31.7 | Very low | 35.1 | Very low | 123 Ų | 123 | 137 Ų | 137 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | 78.7 | 118.8 | 153.8 | -55.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 542 | S | 30.8 | Very low | 34.7 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -67 | 174.3 | 148.2 | -45.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 543 | P | 51.3 | Low | 34.6 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 66% | 0.662 | 79% | 0.789 | S | S | * | * | cis | -134.2 | -178.7 | 4.1 | 42 | -24.2 | 0 | 0 | 0 | 116.2 | ||||
| 544 | E | 33.3 | Very low | 34 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | 58.6 | 123.7 | 147 | -74.2 | 163.7 | 137.1 | 0 | 0 | 123.6 | ||||
| 545 | E | 40.3 | Very low | 33.8 | Very low | 174 Ų | 174 | 142.7 Ų | 142.7 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | 23.2 | 114.2 | 135.5 | -168.1 | 173.3 | 176.1 | 0 | 0 | 121.5 | ||||
| 546 | S | 29.6 | Very low | 34 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | 177.3 | 152.9 | 122.5 | -84.7 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 547 | W | 33.3 | Very low | 34.1 | Very low | 252 Ų | 252 | 144.9 Ų | 144.9 | 96% | 0.955 | 80% | 0.802 | S | S | * | * | trans | -84.1 | 149.7 | 169.2 | -74.7 | 84.8 | 0 | 0 | 0 | 112.3 | S549 | W547-S549 PolarHBondContact O-N 2.72Š| ||
| 548 | P | 37.3 | Very low | 34.3 | Very low | 112 Ų | 112 | 150.5 Ų | 150.5 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -77.1 | 111.6 | -174.6 | 29.1 | -35.1 | 0 | 0 | 0 | 114.7 | ||||
| 549 | S | 28.3 | Very low | 34.3 | Very low | 103 Ų | 103 | 148.6 Ų | 148.6 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | 21.7 | 135.9 | 138.7 | 70.5 | 0 | 0 | 0 | 0 | 121.1 | W547 | W547-S549 PolarHBondContact O-N 2.72Š| ||
| 550 | C | 28 | Very low | 34.8 | Very low | 137 Ų | 137 | 147 Ų | 147 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | trans | -126.3 | 156.1 | 140.4 | -155.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 551 | Q | 32.4 | Very low | 34.9 | Very low | 178 Ų | 178 | 148.3 Ų | 148.3 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -110 | 134.9 | -155.8 | -60.5 | 168.9 | -28.7 | 0 | 0 | 114 | ||||
| 552 | K | 32.9 | Very low | 35 | Very low | 197 Ų | 197 | 148 Ų | 148 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -162 | 137.5 | 134.2 | -132 | 167.7 | -175.3 | 171 | 0 | 111.9 | ||||
| 553 | A | 35 | Very low | 35.6 | Very low | 88 Ų | 88 | 148.8 Ų | 148.8 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -141.6 | 142.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 554 | Y | 34.3 | Very low | 35.1 | Very low | 192 Ų | 192 | 150.3 Ų | 150.3 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -167.1 | 155.5 | 139.6 | 30.4 | -122.8 | 0 | 0 | 0 | 113.4 | ||||
| 555 | N | 32.1 | Very low | 35.7 | Very low | 147 Ų | 147 | 149.9 Ų | 149.9 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | 79.6 | 94.3 | 167.2 | -53.5 | -44.7 | 0 | 0 | 0 | 118.3 | ||||
| 556 | L | 41.3 | Very low | 35.2 | Very low | 162 Ų | 162 | 149.7 Ų | 149.7 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | -78.5 | 150.5 | 154.7 | -69.9 | 74.3 | 0 | 0 | 0 | 109.8 | ||||
| 557 | N | 34.5 | Very low | 35.3 | Very low | 172 Ų | 172 | 150.4 Ų | 150.4 | 92% | 0.92 | 81% | 0.808 | S | S | * | * | trans | -151 | 146.6 | 141.2 | -101 | -50.2 | 0 | 0 | 0 | 112.1 | ||||
| 558 | R | 34.8 | Very low | 35.3 | Very low | 224 Ų | 224 | 144.9 Ų | 144.9 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | -81.8 | 170 | -177.3 | -77.3 | -177.5 | 167.9 | -129.9 | 1.5 | 111.5 | ||||
| 559 | T | 34.8 | Very low | 35 | Very low | 115 Ų | 115 | 146.2 Ų | 146.2 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | cis | -162.1 | 173.8 | -2.5 | 13.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 560 | P | 44.5 | Very low | 35.1 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | trans | -101.3 | -163.1 | -166.8 | 42.2 | -38.9 | 0 | 0 | 0 | 116 | ||||
| 561 | S | 33.3 | Very low | 35.7 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 88.4 | 148.6 | -180 | -135.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 562 | T | 32 | Very low | 35.7 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | cis | -133.9 | 163.7 | 16.3 | 50.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 563 | V | 45.1 | Very low | 35.6 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -85.2 | 140.1 | 165.8 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 564 | T | 40.1 | Very low | 35.4 | Very low | 134 Ų | 134 | 146.9 Ų | 146.9 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -136 | 141.9 | 157.6 | 47 | 0 | 0 | 0 | 0 | 111 | ||||
| 565 | L | 44.8 | Very low | 35.3 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -91 | 144.9 | -178.4 | -61.8 | 162.7 | 0 | 0 | 0 | 110.9 | ||||
| 566 | N | 31.3 | Very low | 35.1 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -154 | 167 | 140.5 | -151.5 | -0.4 | 0 | 0 | 0 | 111.9 | ||||
| 567 | N | 32.1 | Very low | 34.8 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | trans | -123 | 152.2 | -160 | -161.2 | -5.4 | 0 | 0 | 0 | 112.8 | ||||
| 568 | N | 33.4 | Very low | 34.5 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | 13.7 | 130.9 | 166 | -71.9 | -26.5 | 0 | 0 | 0 | 120.7 | ||||
| 569 | T | 29.9 | Very low | 34.1 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | -179.9 | 147.1 | 102.8 | -69.5 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 570 | A | 30.9 | Very low | 34 | Very low | 84 Ų | 84 | 139 Ų | 139 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | trans | -83.1 | 172.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 571 | P | 40.3 | Very low | 33.3 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | -157.4 | -179.5 | 69.5 | 44.7 | -24.1 | 0 | 0 | 0 | 117.6 | |||||
| 572 | T | 31.6 | Very low | 33.5 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | 56.9 | 110.5 | 149.5 | -51.5 | 0 | 0 | 0 | 0 | 120.5 | R574 | T572-R574 HydrophobicContact CG2-CB 4.41Š| ||
| 573 | N | 31.3 | Very low | 33.4 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | -78.6 | 124.5 | 156.5 | -136.7 | -49.8 | 0 | 0 | 0 | 110.1 | ||||
| 574 | R | 31.3 | Very low | 32.6 | Very low | 235 Ų | 235 | 142.4 Ų | 142.4 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | -155.7 | 111.6 | 160.3 | -128.6 | 178.2 | -171 | -175.2 | 2.7 | 116 | T572 | T572-R574 HydrophobicContact CG2-CB 4.41Š| ||
| 575 | A | 31.6 | Very low | 32.2 | Very low | 77 Ų | 77 | 141.3 Ų | 141.3 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | trans | 0 | 140.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 576 | N | 28.7 | Very low | 31.6 | Very low | 154 Ų | 154 | 143.3 Ų | 143.3 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | 52.4 | 113.6 | 141.5 | -62.7 | -19.5 | 0 | 0 | 0 | 119.8 | ||||
| 577 | Q | 34 | Very low | 31.5 | Very low | 178 Ų | 178 | 143.2 Ų | 143.2 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | -170.5 | 127.6 | 97.2 | -68.9 | -132.1 | 39.3 | 0 | 0 | 106.6 | |||||
| 578 | N | 28.1 | Very low | 31.4 | Very low | 137 Ų | 137 | 142.7 Ų | 142.7 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | 85 | 139.6 | 68.4 | -158.6 | 11.6 | 0 | 0 | 0 | 113.7 | |||||
| 579 | F | 27.8 | Very low | 31.4 | Very low | 170 Ų | 170 | 142 Ų | 142 | 75% | 0.746 | 77% | 0.767 | S | S | * | * | trans | 80.7 | 98.5 | 170.8 | -126.5 | -108.8 | 0 | 0 | 0 | 121.3 | ||||
| 580 | D | 31.8 | Very low | 31.4 | Very low | 131 Ų | 131 | 144 Ų | 144 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | 58.4 | 158.9 | 126.2 | -82.2 | -72 | 0 | 0 | 0 | 127.5 | |||||
| 581 | E | 30.4 | Very low | 31.4 | Very low | 164 Ų | 164 | 146.4 Ų | 146.4 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | 101.4 | 106.6 | 147.1 | -152.9 | 144.9 | 125.3 | 0 | 0 | 122.1 | ||||
| 582 | I | 36.9 | Very low | 31.1 | Very low | 144 Ų | 144 | 148.1 Ų | 148.1 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | 95.1 | 154 | 140.5 | -126 | 100.3 | 0 | 0 | 0 | 123.7 | ||||
| 583 | E | 30.3 | Very low | 31 | Very low | 174 Ų | 174 | 150.1 Ų | 150.1 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -67.9 | 168.1 | -160.7 | -61.4 | 162 | 111.2 | 0 | 0 | 119.5 | ||||
| 584 | G | 28.6 | Very low | 31.1 | Very low | 71 Ų | 71 | 153.1 Ų | 153.1 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | 154.8 | 62.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 585 | V | 31.5 | Very low | 31.6 | Very low | 111 Ų | 111 | 147.7 Ų | 147.7 | 67% | 0.673 | 77% | 0.773 | S | S | * | * | 76.8 | 123.5 | 89.8 | 172.5 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 586 | R | 32.8 | Very low | 31.3 | Very low | 208 Ų | 208 | 147.6 Ų | 147.6 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 92.7 | 127.2 | -178.2 | -68.1 | 162.7 | -68.6 | -161.4 | -0.5 | 115 | ||||
| 587 | E | 28.1 | Very low | 32.1 | Very low | 168 Ų | 168 | 146.8 Ų | 146.8 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | 74.6 | 135 | 51.4 | -66.6 | -177.2 | 117.4 | 0 | 0 | 113 | |||||
| 588 | T | 29.3 | Very low | 31.8 | Very low | 117 Ų | 117 | 143 Ų | 143 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | cis | -157.2 | 151.8 | -1.8 | 22.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 589 | S | 34.6 | Very low | 32.7 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | -93.8 | 137.2 | 166.3 | -59 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 590 | Q | 29.6 | Very low | 32.8 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -159.7 | 139.7 | 165.2 | -127.4 | 168.1 | 82.7 | 0 | 0 | 113.2 | ||||
| 591 | V | 31.1 | Very low | 33.2 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | trans | -146.7 | 162 | 173 | -169.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 592 | I | 34.4 | Very low | 33.1 | Very low | 150 Ų | 150 | 139 Ų | 139 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 94.1 | 125.6 | 165.8 | -50.2 | 174.7 | 0 | 0 | 0 | 117.4 | ||||
| 593 | L | 29 | Very low | 32.6 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | -135.9 | 144.9 | 150.2 | -75.6 | 178.5 | 0 | 0 | 0 | 104.2 | ||||
| 594 | R | 32.7 | Very low | 32.6 | Very low | 228 Ų | 228 | 135.3 Ų | 135.3 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | cis | -155.2 | -172.2 | 33.1 | -118.2 | 179.5 | -179.5 | 152.8 | 0.4 | 109.9 | ||||
| 595 | P | 41.7 | Very low | 32.8 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -136.1 | 160.8 | -135.5 | 41.7 | -22.2 | 0 | 0 | 0 | 120.1 | ||||
| 596 | G | 26.8 | Very low | 32.8 | Very low | 75 Ų | 75 | 140.8 Ų | 140.8 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | 76 | 169.8 | 143.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 597 | P | 44.3 | Very low | 32.7 | Very low | 138 Ų | 138 | 139.7 Ų | 139.7 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | cis | -115.2 | -171.9 | 2.9 | 41 | -29 | 0 | 0 | 0 | 114.8 | ||||
| 598 | S | 29 | Very low | 32.8 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | -110.8 | 179.7 | -172.3 | 63.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 599 | P | 46.2 | Very low | 33.2 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | -137.7 | 174.4 | 84.1 | 29 | -8.6 | 0 | 0 | 0 | 117 | |||||
| 600 | N | 29.1 | Very low | 33.1 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | -84.4 | 177.7 | -172.5 | -76.4 | -14.1 | 0 | 0 | 0 | 113.4 | ||||
| 601 | P | 40.4 | Very low | 33 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | cis | -142.7 | 160.4 | 18.4 | 43.4 | -24.2 | 0 | 0 | 0 | 120.7 | ||||
| 602 | T | 28.2 | Very low | 32.9 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | 48.3 | 115.4 | 148.9 | 52.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 603 | A | 27.1 | Very low | 32.6 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -133 | 150.4 | 149.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 604 | V | 30.2 | Very low | 32.7 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -60.9 | 142.6 | -175.6 | -179.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 605 | Q | 31.8 | Very low | 33.1 | Very low | 166 Ų | 166 | 136.4 Ų | 136.4 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | 175.1 | 131.9 | 121.2 | -96.3 | 179.9 | 18.8 | 0 | 0 | 114.4 | |||||
| 606 | N | 31.8 | Very low | 32.6 | Very low | 130 Ų | 130 | 142 Ų | 142 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | 147.9 | 129.6 | 125.2 | -82.8 | -68.9 | 0 | 0 | 0 | 111.4 | |||||
| 607 | E | 31.6 | Very low | 32.5 | Very low | 186 Ų | 186 | 143 Ų | 143 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | -147.3 | 152 | 147.1 | -97.3 | -52.3 | 158 | 0 | 0 | 108.2 | ||||
| 608 | N | 30.2 | Very low | 31.9 | Very low | 124 Ų | 124 | 144 Ų | 144 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | trans | -137.7 | 161.2 | -160.3 | -144.5 | -36.7 | 0 | 0 | 0 | 114 | ||||
| 609 | L | 36.9 | Very low | 32.1 | Very low | 144 Ų | 144 | 150.2 Ų | 150.2 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | 60.4 | 117.8 | 166 | -59.6 | 169.3 | 0 | 0 | 0 | 119.1 | ||||
| 610 | K | 33.2 | Very low | 31.3 | Very low | 203 Ų | 203 | 149.3 Ų | 149.3 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | 160.4 | 154.7 | 131.2 | -86.7 | 149.1 | -166.8 | 162.6 | 0 | 110.7 | ||||
| 611 | S | 26.9 | Very low | 31.3 | Very low | 93 Ų | 93 | 147.5 Ų | 147.5 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | cis | -176.4 | 158.2 | -30.1 | 54.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 612 | M | 29.2 | Very low | 30.9 | Very low | 173 Ų | 173 | 153.1 Ų | 153.1 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | trans | 67.7 | 158.5 | 161.5 | -60.9 | -88.1 | -85.5 | 0 | 0 | 116.5 | ||||
| 613 | A | 29.1 | Very low | 31.1 | Very low | 65 Ų | 65 | 153.1 Ų | 153.1 | 54% | 0.537 | 79% | 0.788 | S | S | . | * | cis | -165.6 | 166.3 | -21.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 614 | H | 31.1 | Very low | 32.2 | Very low | 186 Ų | 186 | 159.6 Ų | 159.6 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | 70.3 | 167.9 | 148.9 | -67.5 | -32.7 | 0 | 0 | 0 | 122.7 | ||||
| 615 | K | 40.2 | Very low | 32.6 | Very low | 204 Ų | 204 | 161.5 Ų | 161.5 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -99.8 | 161.9 | -173 | -62.9 | 179 | 174.4 | 178.8 | 0 | 112.4 | ||||
| 616 | R | 30.8 | Very low | 32.4 | Very low | 238 Ų | 238 | 158.5 Ų | 158.5 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | 96.3 | 129.1 | 136.7 | -154.1 | -173.9 | -158.2 | 164.9 | 5.5 | 118.8 | ||||
| 617 | S | 26.1 | Very low | 32.4 | Very low | 96 Ų | 96 | 160.1 Ų | 160.1 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | trans | 119.3 | 160.2 | 133.4 | -144.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 618 | Q | 31.3 | Very low | 32.3 | Very low | 158 Ų | 158 | 157.7 Ų | 157.7 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | 66.8 | 91.2 | 166 | -56 | -60.5 | 2.6 | 0 | 0 | 122.4 | ||||
| 619 | R | 32.8 | Very low | 32.5 | Very low | 228 Ų | 228 | 155.5 Ų | 155.5 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | 27.4 | 147.6 | 106.8 | -158.2 | 179 | -167.4 | -179.6 | 4.7 | 120.9 | |||||
| 620 | S | 28.6 | Very low | 32.5 | Very low | 108 Ų | 108 | 153.3 Ų | 153.3 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | 89.6 | 146.4 | 164 | -140.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 621 | S | 30.3 | Very low | 32.6 | Very low | 109 Ų | 109 | 151.3 Ų | 151.3 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | cis | -141.5 | 167.9 | 15.1 | -63.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 622 | Y | 31.6 | Very low | 33.1 | Very low | 225 Ų | 225 | 152.6 Ų | 152.6 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | trans | -68.5 | 147.3 | 163.9 | -108.8 | -116.8 | 0 | 0 | 0 | 112.1 | ||||
| 623 | T | 31.7 | Very low | 33.3 | Very low | 140 Ų | 140 | 153.6 Ų | 153.6 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | -176.2 | 159.5 | 113.9 | 29.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 624 | R | 50.3 | Low | 33.4 | Very low | 239 Ų | 239 | 154.7 Ų | 154.7 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -111.5 | -171.5 | 172.3 | -80.5 | -168.1 | 177.8 | -145.8 | 4.9 | 110.7 | ||||
| 625 | L | 38.3 | Very low | 33.4 | Very low | 177 Ų | 177 | 150.7 Ų | 150.7 | 93% | 0.927 | 79% | 0.785 | S | S | * | * | trans | 89.9 | 149.1 | 175.9 | -50.4 | 171.1 | 0 | 0 | 0 | 112.8 | ||||
| 626 | S | 28.3 | Very low | 32.9 | Very low | 103 Ų | 103 | 147 Ų | 147 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | cis | -139.9 | 138.1 | 3.6 | -173 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 627 | K | 32.6 | Very low | 33.3 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | 61 | 122.5 | 70.1 | -177.3 | 170.7 | 178.1 | 170.4 | 0 | 115.6 | |||||
| 628 | D | 27.8 | Very low | 33.8 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | 62.4 | 159.6 | 164.5 | -68 | 3.7 | 0 | 0 | 0 | 119.1 | ||||
| 629 | A | 34.5 | Very low | 34.2 | Very low | 78 Ų | 78 | 139.5 Ų | 139.5 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | cis | -173.8 | 173.6 | -29.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 630 | S | 37.5 | Very low | 34.4 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | 67.2 | 154.6 | 166.5 | -67.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 631 | E | 35.1 | Very low | 34.5 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | cis | -164.9 | 177.4 | -12.1 | -110.2 | 165.8 | 71.2 | 0 | 0 | 106.9 | ||||
| 632 | L | 38.4 | Very low | 35 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 63% | 0.628 | 78% | 0.781 | S | S | * | * | cis | -156.6 | 157.1 | 4.6 | -138.6 | 176.2 | 0 | 0 | 0 | 107.9 | ||||
| 633 | H | 32.3 | Very low | 35.1 | Very low | 193 Ų | 193 | 131.4 Ų | 131.4 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | trans | -176.7 | 167 | 134.9 | -94 | -55.3 | 0 | 0 | 0 | 110.5 | ||||
| 634 | A | 31.4 | Very low | 35.6 | Very low | 89 Ų | 89 | 133 Ų | 133 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | -138.4 | 168 | -144.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 635 | A | 31.8 | Very low | 35.4 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | 77.2 | 103.5 | 156.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 636 | S | 29.3 | Very low | 35.9 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | -158.7 | 128.7 | 106.9 | -166.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 637 | S | 40.1 | Very low | 36.9 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | trans | -76.6 | 178.5 | 164.1 | -78.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 638 | D | 36.8 | Very low | 37.7 | Very low | 142 Ų | 142 | 134 Ų | 134 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | cis | 178.8 | 159.5 | -33.5 | -90.9 | -55.7 | 0 | 0 | 0 | 105.6 | ||||
| 639 | S | 39.4 | Very low | 38.9 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | cis | -149.2 | -155.6 | -16.8 | 40.4 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 640 | T | 36.8 | Very low | 39.3 | Very low | 133 Ų | 133 | 142.8 Ų | 142.8 | 82% | 0.816 | 81% | 0.812 | S | S | * | * | cis | -156.8 | 162.4 | 19 | 48.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 641 | G | 31.1 | Very low | 39.3 | Very low | 72 Ų | 72 | 145.1 Ų | 145.1 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | cis | 171.2 | 156 | -1.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 642 | F | 39.5 | Very low | 39.6 | Very low | 217 Ų | 217 | 144.2 Ų | 144.2 | 95% | 0.952 | 82% | 0.822 | S | S | * | * | trans | -82 | 163.4 | 166.9 | -97.6 | -108.8 | 0 | 0 | 0 | 110.6 | ||||
| 643 | G | 35 | Very low | 39.6 | Very low | 79 Ų | 79 | 145.5 Ų | 145.5 | 81% | 0.814 | 83% | 0.832 | S | S | * | * | trans | -164.9 | 64.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 644 | E | 41.7 | Very low | 40.1 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 81% | 0.808 | 83% | 0.829 | S | S | * | * | trans | -80.9 | -178.6 | 168.7 | -157.9 | 167.3 | 167.8 | 0 | 0 | 110.7 | ||||
| 645 | E | 46.1 | Very low | 40.6 | Very low | 179 Ų | 179 | 146.1 Ų | 146.1 | 84% | 0.836 | 84% | 0.835 | S | S | * | * | trans | 52.4 | 92.2 | 167.5 | 64.6 | 179.9 | 172.3 | 0 | 0 | 119.6 | ||||
| 646 | R | 48.2 | Very low | 41.2 | Very low | 235 Ų | 235 | 149 Ų | 149 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | trans | -133.4 | 159.2 | 131.4 | -49.9 | -176.7 | -177.6 | -83.5 | -7.6 | 106.6 | ||||
| 647 | E | 50.4 | Low | 42 | Very low | 180 Ų | 180 | 150.7 Ų | 150.7 | 84% | 0.841 | 83% | 0.831 | S | S | * | * | cis | -138.8 | 168.6 | 18 | -69.8 | 175.6 | 143.9 | 0 | 0 | 111.7 | ||||
| 648 | S | 49.3 | Very low | 42.2 | Very low | 110 Ų | 110 | 155 Ų | 155 | 77% | 0.769 | 84% | 0.844 | S | S | * | * | trans | -151.9 | 128.3 | 161.6 | -85.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 649 | I | 51.4 | Low | 42.6 | Very low | 158 Ų | 158 | 156.1 Ų | 156.1 | 81% | 0.81 | 85% | 0.851 | S | S | * | * | trans | 68.8 | 99.8 | 160.1 | -51.6 | 161.2 | 0 | 0 | 0 | 115.7 | ||||
| 650 | L | 43 | Very low | 42.9 | Very low | 239 Ų | 239 | 161.4 Ų | 161.4 | 100% | 1.251 | 87% | 0.866 | S | S | * | * | -137.4 | 0 | 104.9 | -105.9 | 169.1 | 0 | 0 | 0 | 110.3 |
Retrieved 650 of 650 residues in 276.2 ms
(Link to these results)