| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.1 | Very low | 27.8 | Very low | 236 Ų | 236 | 152.3 Ų | 152.3 | 100% | 1.163 | 79% | 0.789 | S | S | * | * | 0 | 93.9 | 0 | -77.1 | 171.8 | 162.3 | 0 | 0 | 106.8 | |||||
| 2 | Q | 28.3 | Very low | 27.5 | Very low | 173 Ų | 173 | 149.8 Ų | 149.8 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | 47.4 | 126.1 | 87.3 | -87.3 | -177.6 | -24.9 | 0 | 0 | 111.5 | |||||
| 3 | K | 28.7 | Very low | 27.3 | Very low | 172 Ų | 172 | 151.2 Ų | 151.2 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | cis | -160.5 | 140.1 | 12.6 | -92 | 165.6 | 174.5 | 178.4 | 0 | 104.6 | ||||
| 4 | A | 29.8 | Very low | 27 | Very low | 83 Ų | 83 | 145.4 Ų | 145.4 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | 61.2 | 112.1 | 68.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 5 | L | 28.2 | Very low | 26.9 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 80% | 0.801 | 80% | 0.795 | S | S | * | * | 173.5 | 117.4 | 118.3 | -110.5 | 80.5 | 0 | 0 | 0 | 108.4 | |||||
| 6 | V | 28.5 | Very low | 26.8 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 66% | 0.655 | 79% | 0.792 | S | S | * | * | 86.8 | 108.4 | 66.5 | 165.4 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 7 | N | 25.4 | Very low | 27.6 | Very low | 133 Ų | 133 | 139.9 Ų | 139.9 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | 75.8 | 140.8 | 114 | -66.1 | -5.3 | 0 | 0 | 0 | 113.5 | |||||
| 8 | D | 25 | Very low | 27.5 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | -148.6 | 140.1 | 52.4 | -90.6 | -46 | 0 | 0 | 0 | 111 | |||||
| 9 | T | 26.1 | Very low | 27.4 | Very low | 96 Ų | 96 | 146.5 Ų | 146.5 | 59% | 0.589 | 80% | 0.796 | S | S | * | * | 105.3 | 104.4 | 53.7 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 10 | K | 24.5 | Very low | 27.5 | Very low | 189 Ų | 189 | 145.9 Ų | 145.9 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | 39.5 | 131.8 | 136.1 | -62.3 | 178.1 | 176.1 | 175.7 | 0 | 119.9 | ||||
| 11 | M | 22.8 | Very low | 27.4 | Very low | 185 Ų | 185 | 149.1 Ų | 149.1 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | -161 | 142.7 | 90.1 | -104.9 | -151.1 | -79.1 | 0 | 0 | 114.4 | |||||
| 12 | V | 25.2 | Very low | 26.9 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | trans | -100.5 | 150.5 | 177.2 | 166.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 13 | L | 24.9 | Very low | 26.8 | Very low | 167 Ų | 167 | 144.5 Ų | 144.5 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | 162.7 | 109.8 | 134.8 | -85.7 | 162.7 | 0 | 0 | 0 | 107.5 | ||||
| 14 | G | 23.2 | Very low | 26.7 | Very low | 71 Ų | 71 | 142.8 Ų | 142.8 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | 107.6 | 138.1 | 90.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 15 | C | 24.8 | Very low | 26.7 | Very low | 132 Ų | 132 | 146.8 Ų | 146.8 | 89% | 0.892 | 79% | 0.785 | S | S | * | * | cis | -153.4 | 153.8 | 22 | -73.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 16 | S | 25.1 | Very low | 26.7 | Very low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -85 | -169.3 | 161.7 | 57 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 17 | P | 41.5 | Very low | 26.6 | Very low | 102 Ų | 102 | 145.6 Ų | 145.6 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | -129.4 | 172.8 | -54.4 | 31.3 | -14.2 | 0 | 0 | 0 | 110.6 | |||||
| 18 | F | 25.2 | Very low | 26.7 | Very low | 213 Ų | 213 | 147.6 Ų | 147.6 | 93% | 0.934 | 79% | 0.792 | S | S | * | * | trans | -159.1 | 98.7 | 145.3 | -108.2 | -77.1 | 0 | 0 | 0 | 109.7 | ||||
| 19 | F | 26.4 | Very low | 26.6 | Very low | 193 Ų | 193 | 144.4 Ų | 144.4 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -98.7 | 137.3 | 154.2 | -119.3 | -98.7 | 0 | 0 | 0 | 105.1 | ||||
| 20 | D | 27.5 | Very low | 26.6 | Very low | 134 Ų | 134 | 148.2 Ų | 148.2 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | 162.5 | 153.3 | 109.9 | -147.5 | 8.1 | 0 | 0 | 0 | 112.5 | |||||
| 21 | R | 27 | Very low | 26.7 | Very low | 213 Ų | 213 | 144.5 Ų | 144.5 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 79.2 | 137.5 | 169.2 | -54.5 | -177.4 | 179.3 | -164 | -1.1 | 116.3 | ||||
| 22 | L | 26.7 | Very low | 26.8 | Very low | 144 Ų | 144 | 144.4 Ų | 144.4 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | cis | -160.1 | 139.3 | 27.8 | -162.3 | 76.5 | 0 | 0 | 0 | 110.2 | ||||
| 23 | L | 26.8 | Very low | 26.9 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | trans | -57.6 | 140.9 | 158.7 | -81.9 | 147.1 | 0 | 0 | 0 | 110.9 | ||||
| 24 | T | 27.3 | Very low | 26.9 | Very low | 137 Ų | 137 | 142.1 Ų | 142.1 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | -125.6 | 121.5 | 164.3 | -19.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 25 | Q | 27.8 | Very low | 27 | Very low | 166 Ų | 166 | 147 Ų | 147 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -88.5 | 147.6 | 175.6 | -97.1 | -174.5 | -34.1 | 0 | 0 | 111.4 | ||||
| 26 | I | 29 | Very low | 27 | Very low | 137 Ų | 137 | 150.1 Ų | 150.1 | 70% | 0.703 | 81% | 0.81 | S | S | * | * | 57.2 | 114 | 128.7 | -55.3 | 173.2 | 0 | 0 | 0 | 120.2 | |||||
| 27 | S | 25.7 | Very low | 26.9 | Very low | 100 Ų | 100 | 153.2 Ų | 153.2 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | 53.1 | 144.3 | 126.1 | -145.2 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 28 | L | 27.5 | Very low | 26.1 | Very low | 174 Ų | 174 | 153.4 Ų | 153.4 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | trans | 92.1 | 127.2 | 159.3 | -59.8 | 174.1 | 0 | 0 | 0 | 118.9 | ||||
| 29 | G | 23.3 | Very low | 26 | Very low | 81 Ų | 81 | 149.5 Ų | 149.5 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | 162.2 | 91.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 30 | L | 26.6 | Very low | 26 | Very low | 175 Ų | 175 | 149.5 Ų | 149.5 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -69.9 | 148.2 | 168.3 | -77 | 152.3 | 0 | 0 | 0 | 112.2 | ||||
| 31 | S | 27.3 | Very low | 25.9 | Very low | 111 Ų | 111 | 148.5 Ų | 148.5 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | 178.9 | 106.8 | 137.8 | 41 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 32 | E | 24.9 | Very low | 25.9 | Very low | 184 Ų | 184 | 147 Ų | 147 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | 48.8 | 110.5 | 93.5 | -81.1 | -168.1 | 163.8 | 0 | 0 | 115.1 | |||||
| 33 | T | 25.9 | Very low | 25.8 | Very low | 139 Ų | 139 | 146.7 Ų | 146.7 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | -161.7 | 122.6 | 127.8 | 8.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 34 | S | 24.6 | Very low | 25.8 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | trans | -5.8 | 128.3 | 158.1 | 55.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 35 | M | 25.8 | Very low | 25.7 | Very low | 173 Ų | 173 | 144 Ų | 144 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | 58.4 | 114.4 | 90.9 | -95.7 | -157.8 | 171 | 0 | 0 | 115.4 | |||||
| 36 | Q | 24.5 | Very low | 25.6 | Very low | 198 Ų | 198 | 140.3 Ų | 140.3 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | -161.5 | 109.1 | 132.2 | -108.4 | 163 | 5.2 | 0 | 0 | 110.6 | ||||
| 37 | Q | 24.6 | Very low | 25.5 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 81% | 0.808 | 82% | 0.818 | S | S | * | * | trans | -77.5 | 139.5 | 157.9 | -80.7 | 173.5 | -39 | 0 | 0 | 108.7 | ||||
| 38 | A | 24.2 | Very low | 25.5 | Very low | 105 Ų | 105 | 144.5 Ų | 144.5 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | trans | -138.9 | 125 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 39 | I | 23.8 | Very low | 25.5 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 67% | 0.672 | 81% | 0.814 | S | S | * | * | trans | -99.4 | 161.2 | 176.5 | -64.6 | 172.6 | 0 | 0 | 0 | 107.9 | ||||
| 40 | F | 26 | Very low | 25.6 | Very low | 194 Ų | 194 | 143.3 Ų | 143.3 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | 97.8 | 136.6 | 168.7 | -66.7 | -77.5 | 0 | 0 | 0 | 114.5 | ||||
| 41 | S | 25.2 | Very low | 25.6 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | cis | -165.9 | 165.8 | 16.8 | 36.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 42 | H | 26.3 | Very low | 25.6 | Very low | 181 Ų | 181 | 144.5 Ų | 144.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -67.6 | 155.9 | 174.9 | -84.5 | -89.7 | 0 | 0 | 0 | 115.5 | ||||
| 43 | T | 25.8 | Very low | 25.8 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | 153.1 | 150.8 | 142.6 | 38.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 44 | D | 24.9 | Very low | 26 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | cis | -161.3 | 156.4 | -30.7 | -159.4 | -13.2 | 0 | 0 | 0 | 105 | ||||
| 45 | S | 25.3 | Very low | 26.2 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -16 | 140.4 | 173.3 | -51.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 46 | A | 25.5 | Very low | 26.4 | Very low | 89 Ų | 89 | 142.3 Ų | 142.3 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | 169.8 | 127.4 | 120.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 47 | L | 28.3 | Very low | 26.8 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | 82.9 | 121.2 | 143.4 | -60.2 | 164.7 | 0 | 0 | 0 | 122 | ||||
| 48 | L | 25.2 | Very low | 27.2 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | -68.2 | 166.1 | 176.3 | -64.1 | 157.9 | 0 | 0 | 0 | 113.1 | T50 | L48-T50 HydrophobicContact CD2-CG2 4.4Š| ||
| 49 | P | 26.7 | Very low | 27.5 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | -136.1 | 144.5 | 78.2 | 22.8 | -1.1 | 0 | 0 | 0 | 115.4 | |||||
| 50 | T | 27.3 | Very low | 27.8 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | -65 | 138.2 | 171.4 | 43.6 | 0 | 0 | 0 | 0 | 113.7 | L48 | L48-T50 HydrophobicContact CD2-CG2 4.4Š| ||
| 51 | F | 26.6 | Very low | 28.3 | Very low | 195 Ų | 195 | 128.9 Ų | 128.9 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | trans | -135.4 | 151.4 | 156.5 | -90.3 | -80.2 | 0 | 0 | 0 | 110.1 | ||||
| 52 | P | 26.8 | Very low | 28.7 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 143.3 | -153.2 | 31.1 | -33.7 | 0 | 0 | 0 | 113.9 | ||
| 53 | L | 28.9 | Very low | 29 | Very low | 169 Ų | 169 | 127.1 Ų | 127.1 | 89% | 0.885 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 139.6 | 170.9 | -79 | 144.5 | 0 | 0 | 0 | 111.2 | ||
| 54 | P | 29.3 | Very low | 29 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 71% | 0.714 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 155.5 | 165.6 | 31 | -31.2 | 0 | 0 | 0 | 110.7 | ||
| 55 | P | 29.3 | Very low | 29 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 81% | 0.805 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 132.8 | -175.3 | 28.8 | -32.7 | 0 | 0 | 0 | 111.9 | ||
| 56 | D | 30.4 | Very low | 29 | Very low | 149 Ų | 149 | 126.4 Ų | 126.4 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 138.5 | 170.9 | -102.8 | -29.6 | 0 | 0 | 0 | 112.7 | ||
| 57 | P | 33.4 | Very low | 28.9 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | trans | -122.8 | 72.2 | 159.3 | 37.7 | -23.5 | 0 | 0 | 0 | 110.6 | ||||
| 58 | T | 31.1 | Very low | 28.8 | Very low | 100 Ų | 100 | 129.6 Ų | 129.6 | 61% | 0.613 | 74% | 0.737 | S | S | * | * | trans | -147.4 | 94.2 | 168.3 | 53 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 59 | N | 32 | Very low | 29 | Very low | 148 Ų | 148 | 128.2 Ų | 128.2 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | -109.8 | 123.8 | 158.4 | -100.8 | -11.2 | 0 | 0 | 0 | 108.8 | ||||
| 60 | P | 29.9 | Very low | 28.8 | Very low | 76 Ų | 76 | 125.8 Ų | 125.8 | 49% | 0.494 | 73% | 0.733 | S | S | . | * | trans | -60.6 | 145.3 | 162.8 | 26.2 | -30.8 | 0 | 0 | 0 | 109.1 | T62 | P60-T62 PolarHBondContact O-N 3.34Š| ||
| 61 | L | 35.3 | Very low | 28.7 | Very low | 81 Ų | 81 | 129 Ų | 129 | 42% | 0.424 | 74% | 0.739 | S | S | . | * | S | Bend | trans | -71.9 | 60.9 | 179.7 | -78 | 164.1 | 0 | 0 | 0 | 112 | F359 | L61-F359 HydrophobicContact CD1-CZ 4.25Š|
| 62 | T | 35.3 | Very low | 28.5 | Very low | 65 Ų | 65 | 126.9 Ų | 126.9 | 40% | 0.399 | 74% | 0.737 | S | S | . | * | trans | -134.3 | 127.7 | 174 | 44.6 | 0 | 0 | 0 | 0 | 106.6 | P60 A278 | P60-T62 PolarHBondContact O-N 3.34Å; T62-A278 HydrophobicContact CG2-CB 4.07Å | ||
| 63 | H | 31 | Very low | 28.4 | Very low | 191 Ų | 191 | 125.5 Ų | 125.5 | 88% | 0.884 | 74% | 0.736 | S | S | * | * | trans | 98.7 | 98.5 | 179.3 | -53.4 | -74.2 | 0 | 0 | 0 | 116.8 | ||||
| 64 | L | 26.4 | Very low | 28.3 | Very low | 182 Ų | 182 | 122.9 Ų | 122.9 | 95% | 0.953 | 73% | 0.729 | S | S | * | * | trans | -109.2 | 104.7 | 143.2 | -106.9 | 153.7 | 0 | 0 | 0 | 106.3 | ||||
| 65 | G | 24.8 | Very low | 28.1 | Very low | 65 Ų | 65 | 128.8 Ų | 128.8 | 67% | 0.67 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 135.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 66 | T | 25.9 | Very low | 28 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 76% | 0.761 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -52 | 126.7 | 160.4 | -37 | 0 | 0 | 0 | 0 | 110 | M68 | T66-M68 HydrophobicContact CG2-CE 4.45Š|
| 67 | L | 24 | Very low | 27.7 | Very low | 175 Ų | 175 | 126.6 Ų | 126.6 | 92% | 0.916 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 130.6 | 167.5 | -95.3 | 156.6 | 0 | 0 | 0 | 109.7 | ||
| 68 | M | 24.9 | Very low | 27.1 | Very low | 157 Ų | 157 | 124.3 Ų | 124.3 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 173.2 | -173.3 | -87.5 | -70.9 | 108 | 0 | 0 | 112.6 | T66 | T66-M68 HydrophobicContact CG2-CE 4.45Š|
| 69 | P | 29.8 | Very low | 26.9 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -101 | 166.3 | -149.7 | 39.7 | -34.8 | 0 | 0 | 0 | 114.9 | ||
| 70 | G | 22.3 | Very low | 26.4 | Very low | 66 Ų | 66 | 131.6 Ų | 131.6 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | 164.9 | 110.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 71 | H | 24.4 | Very low | 26.3 | Very low | 180 Ų | 180 | 139 Ų | 139 | 83% | 0.833 | 78% | 0.776 | S | S | * | * | trans | 54 | 128.3 | 147.9 | -68.5 | -60.7 | 0 | 0 | 0 | 119.3 | ||||
| 72 | D | 24 | Very low | 25.8 | Very low | 151 Ų | 151 | 146.1 Ų | 146.1 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | cis | -154.8 | 155.3 | 33.4 | -88.4 | -43.2 | 0 | 0 | 0 | 112.7 | ||||
| 73 | A | 23.1 | Very low | 25.4 | Very low | 89 Ų | 89 | 150.9 Ų | 150.9 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | trans | -76.2 | 171.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 74 | P | 28.6 | Very low | 25.1 | Very low | 113 Ų | 113 | 149 Ų | 149 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | -146.3 | 143.5 | 59.3 | 34.8 | -12.3 | 0 | 0 | 0 | 118.5 | |||||
| 75 | R | 24.3 | Very low | 25.6 | Very low | 234 Ų | 234 | 146 Ų | 146 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | 50.1 | 115.3 | 132.8 | -58.9 | -176.8 | 174.6 | -164.8 | -1.8 | 120.3 | ||||
| 76 | T | 27 | Very low | 25.4 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | -168.8 | 121.5 | 117.8 | 36.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 77 | G | 24.5 | Very low | 25.4 | Very low | 82 Ų | 82 | 150.5 Ų | 150.5 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | 46 | 119.1 | 154.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 78 | G | 21.3 | Very low | 25.4 | Very low | 67 Ų | 67 | 151.2 Ų | 151.2 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | cis | 105.6 | 84.4 | 19 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 79 | W | 25.4 | Very low | 25.4 | Very low | 244 Ų | 244 | 147.3 Ų | 147.3 | 92% | 0.924 | 82% | 0.815 | S | S | * | * | trans | -145.7 | 92 | 154.7 | -76.4 | 84.2 | 0 | 0 | 0 | 109.8 | ||||
| 80 | D | 22.7 | Very low | 25.1 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | trans | -81.7 | 126.8 | 168 | -158.5 | -0.1 | 0 | 0 | 0 | 107.9 | ||||
| 81 | R | 27.5 | Very low | 25.3 | Very low | 231 Ų | 231 | 152.4 Ų | 152.4 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | trans | -114 | 92.3 | 170.1 | -92 | -167.4 | -178.9 | -179.7 | 2.2 | 110 | ||||
| 82 | R | 24.1 | Very low | 25.5 | Very low | 232 Ų | 232 | 151.4 Ų | 151.4 | 88% | 0.875 | 82% | 0.823 | S | S | * | * | trans | -16.4 | 129.9 | 149.5 | -66.4 | 179.6 | 176.3 | -168.9 | -2.6 | 115.4 | ||||
| 83 | L | 27.4 | Very low | 25.8 | Very low | 165 Ų | 165 | 152.3 Ų | 152.3 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | trans | -66.8 | 130.5 | 142.2 | -78.7 | 153.1 | 0 | 0 | 0 | 109.1 | ||||
| 84 | D | 24.4 | Very low | 25.8 | Very low | 152 Ų | 152 | 151.6 Ų | 151.6 | 81% | 0.813 | 83% | 0.828 | S | S | * | * | trans | 162.4 | 167.7 | 139.7 | -100.6 | -0.5 | 0 | 0 | 0 | 111.3 | ||||
| 85 | P | 36.2 | Very low | 25.8 | Very low | 119 Ų | 119 | 150.4 Ų | 150.4 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | -130.1 | 174.9 | -84.6 | 25.9 | -0.5 | 0 | 0 | 0 | 112 | |||||
| 86 | G | 22 | Very low | 25.9 | Very low | 67 Ų | 67 | 143.5 Ų | 143.5 | 69% | 0.691 | 83% | 0.829 | S | S | * | * | trans | 118.6 | 104.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 87 | F | 25.5 | Very low | 26.1 | Very low | 215 Ų | 215 | 148.7 Ų | 148.7 | 94% | 0.943 | 83% | 0.832 | S | S | * | * | -160.7 | 104.3 | 110.7 | -115.9 | -86.4 | 0 | 0 | 0 | 108.7 | |||||
| 88 | Q | 24.3 | Very low | 26.4 | Very low | 191 Ų | 191 | 153.3 Ų | 153.3 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | trans | -70.6 | 145.9 | 161.6 | -86.7 | 171.1 | -29.6 | 0 | 0 | 109.4 | ||||
| 89 | G | 23.6 | Very low | 27.1 | Very low | 74 Ų | 74 | 153.6 Ų | 153.6 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | trans | 110.7 | 85.8 | 146.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 90 | C | 24.1 | Very low | 27.4 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | -142.1 | 92.7 | 128.8 | -153.5 | 0 | 0 | 0 | 0 | 108.3 | L92 | C90-L92 PolarHBondContact O-N 3.42Š| |||
| 91 | H | 26.4 | Very low | 28.3 | Very low | 175 Ų | 175 | 154.3 Ų | 154.3 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | trans | -68.2 | 112.9 | 162.7 | -93.5 | -77.7 | 0 | 0 | 0 | 107.5 | ||||
| 92 | L | 29 | Very low | 29.3 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -111.6 | 104.4 | 157 | -85.9 | 160.9 | 0 | 0 | 0 | 107.6 | C90 G94 | C90-L92 PolarHBondContact O-N 3.42Å; L92-G94 PolarHBondContact O-N 3.41Å | ||
| 93 | L | 29.4 | Very low | 30.5 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | trans | -63.3 | 120.1 | 163.8 | -109.2 | 84.3 | 0 | 0 | 0 | 108.3 | ||||
| 94 | G | 24.6 | Very low | 32 | Very low | 74 Ų | 74 | 140.2 Ų | 140.2 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | -165 | 95.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | L92 A96 | L92-G94 PolarHBondContact O-N 3.41Å; G94-A96 PolarHBondContact O-N 2.77Å | ||
| 95 | G | 27.7 | Very low | 34.7 | Very low | 88 Ų | 88 | 133.3 Ų | 133.3 | 91% | 0.907 | 75% | 0.749 | S | S | * | * | trans | -71.1 | 121.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 96 | A | 25.9 | Very low | 37.3 | Very low | 89 Ų | 89 | 129 Ų | 129 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | trans | -158.3 | 135.3 | 141.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | G94 E98 | G94-A96 PolarHBondContact O-N 2.77Å; A96-E98 PolarHBondContact O-N 2.85Å | ||
| 97 | R | 32.8 | Very low | 40.7 | Very low | 255 Ų | 255 | 126 Ų | 126 | 96% | 0.962 | 69% | 0.688 | S | S | * | * | trans | -52.9 | 92.7 | 179.4 | -76 | 169.2 | 161 | 172.6 | -6.6 | 110.9 | A99 | R97-A99 VanDerWaalsContact C-N 3.29Å; R97-A99 PolarHBondContact O-N 2.95Å | ||
| 98 | E | 31.1 | Very low | 44 | Very low | 180 Ų | 180 | 116.3 Ų | 116.3 | 84% | 0.841 | 65% | 0.647 | S | S | * | * | trans | -69.1 | 96.6 | 161.3 | -84.4 | -173.9 | 151.1 | 0 | 0 | 107 | A96 K100 | A96-E98 PolarHBondContact O-N 2.85Å; E98-K100 VanDerWaalsContact C-N 3.28Å; E98-K100 PolarHBondContact O-N 2.78Å | ||
| 99 | A | 34.1 | Very low | 47.4 | Very low | 72 Ų | 72 | 107.2 Ų | 107.2 | 60% | 0.595 | 60% | 0.604 | S | S | * | * | trans | -56.3 | 102.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | R97 R101 | R97-A99 VanDerWaalsContact C-N 3.29Å; R97-A99 PolarHBondContact O-N 2.95Å; A99-R101 HydrophobicContact CB-CB 3.93Å; A99-R101 HydrophobicContact CB-CG 3.97Å; A99-R101 PolarHBondContact O-N 3.12Å | ||
| 100 | K | 31.5 | Very low | 50.9 | Low | 209 Ų | 209 | 104.4 Ų | 104.4 | 91% | 0.909 | 57% | 0.573 | S | S | * | * | trans | -55.3 | 65.1 | 147.1 | -166.8 | -179.3 | -175.1 | 179.7 | 0 | 107.8 | E98 E102 | E98-K100 VanDerWaalsContact C-N 3.28Å; E98-K100 PolarHBondContact O-N 2.78Å; K100-E102 PolarHBondContact O-N 3.39Å | ||
| 101 | R | 43 | Very low | 54.4 | Low | 207 Ų | 207 | 98.8 Ų | 98.8 | 78% | 0.781 | 54% | 0.535 | S | S | * | . | trans | -82.4 | 90.4 | -171 | -130.3 | 176.7 | -173.1 | -172.6 | 1.7 | 107.9 | A99 A103 | A99-R101 HydrophobicContact CB-CB 3.93Å; A99-R101 HydrophobicContact CB-CG 3.97Å; A99-R101 PolarHBondContact O-N 3.12Å; R101-A103 PolarHBondContact O-N 3.13Å | ||
| 102 | E | 48.5 | Very low | 57.8 | Low | 105 Ų | 105 | 91.1 Ų | 91.1 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | trans | 49.9 | 54.1 | 134 | -62.6 | 178 | 158.7 | 0 | 0 | 118.3 | K100 H104 A105 N410 | K100-E102 PolarHBondContact O-N 3.39Å; E102-H104 PolarHBondContact O-N 3.33Å; E102-H104 VanDerWaalsContact O-N 3.11Å; E102-A105 HydrophobicContact CB-CB 4.02Å; E102-A105 PolarHBondContact O-N 2.71Å; E102-N410 PolarHBondContact O-ND2 3.07Å | ||
| 103 | A | 48.9 | Very low | 61.1 | Low | 70 Ų | 70 | 83.5 Ų | 83.5 | 58% | 0.579 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -16.7 | 155.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R101 | R101-A103 PolarHBondContact O-N 3.13Š|
| 104 | H | 58.2 | Low | 64.4 | Low | 156 Ų | 156 | 75.9 Ų | 75.9 | 72% | 0.722 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 13.6 | -175.6 | -60.4 | -65.7 | 0 | 0 | 0 | 115 | E102 H139 | E102-H104 PolarHBondContact O-N 3.33Å; E102-H104 VanDerWaalsContact O-N 3.11Å; H104-H139 VanDerWaalsContact O-CB 3.28Å; H104-H139 WeakPolarHBondContact O-CB 3.4Å; H104-H139 PolarHBondContact O-ND1 3.5Å |
| 105 | A | 81.2 | Confident | 67.8 | Low | 8 Ų | 8 | 75.4 Ų | 75.4 | 7% | 0.066 | 40% | 0.398 | C | S | . | . | trans | -120.2 | 23.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E102 G140 | E102-A105 HydrophobicContact CB-CB 4.02Å; E102-A105 PolarHBondContact O-N 2.71Å; A105-G140 WeakPolarHBondContact O-CA 3.49Å | ||
| 106 | D | 91.4 | Very high | 71.1 | Confident | 29 Ų | 29 | 71.6 Ų | 71.6 | 16% | 0.155 | 36% | 0.357 | C | S | . | . | trans | -70.4 | 147.5 | 177.7 | -65.4 | -15.2 | 0 | 0 | 0 | 111.9 | G138 H139 G140 T408 N410 R506 | D106-G138 CarbonylContact O-C 3.55Å; D106-G138 VanDerWaalsContact O-C 3.26Å; D106-G138 VanDerWaalsContact O-CA 3.28Å; D106-G138 WeakPolarHBondContact O-CA 3.5Å; D106-H139 PolarHBondContact O-N 3.38Å; D106-G140 PolarHBondContact O-N 3.27Å; D106-T408 HydrophobicContact CB-CG2 4.03Å; D106-N410 WeakPolarHBondContact OD1-CB 3.25Å; D106-N410 PolarHBondContact OD1-ND2 2.99Å; D106-R506 VanDerWaalsContact CG-CZ 3.46Å; D106-R506 VanDerWaalsContact CG-NH2 3.26Å; D106-R506 IonicContact OD1-CZ 3.79Å; D106-R506 IonicContact OD1-NE 2.97Å; D106-R506 IonicContact OD1-NH1 2.73Å; D106-R506 IonicContact OD1-NH2 3.78Å; D106-R506 PolarHBondContact OD1-NH2 2.95Å; D106-R506 IonicContact OD2-CZ 3.29Å; D106-R506 IonicContact OD2-NE 3.8Å; D106-R506 IonicContact OD2-NH1 2.98Å; D106-R506 PolarHBondContact OD2-NH1 2.84Å; D106-R506 IonicContact OD2-NH2 2.71Å; D106-R506 PolarHBondContact OD2-NH2 3.21Å | ||
| 107 | Q | 93 | Very high | 74.5 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.009 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 123.8 | 177.1 | -72.3 | 153.8 | -21.1 | 0 | 0 | 107.8 | G140 W141 T408 F409 | Q107-G140 VanDerWaalsContact CG-C 3.47Å; Q107-G140 PolarHBondContact NE2-O 3.08Å; Q107-G140 VanDerWaalsContact NE2-O 3.16Å; Q107-W141 HydrophobicContact CB-CD2 4.19Å; Q107-W141 HydrophobicContact CB-CG 4.35Å; Q107-W141 HydrophobicContact CB-CZ2 4Å; Q107-W141 HydrophobicContact CG-CD2 3.95Å; Q107-W141 HydrophobicContact CG-CG 3.94Å; Q107-T408 WeakPolarHBondContact O-CA 3.1Å; Q107-F409 HydrophobicContact CB-CD2 3.98Å; Q107-F409 HydrophobicContact CB-CE1 4.33Å; Q107-F409 HydrophobicContact CB-CE2 3.66Å; Q107-F409 HydrophobicContact CB-CG 4.46Å; Q107-F409 HydrophobicContact CB-CZ 3.85Å; Q107-F409 HydrophobicContact CG-CE2 4.3Å; Q107-F409 PolarHBondContact N-O 3.32Å; Q107-F409 PolarHBondContact O-N 3.41Å; Q107-F409 VanDerWaalsContact OE1-CD2 3.25Å |
| 108 | S | 94.6 | Very high | 77.5 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135.8 | 179.8 | -60.1 | 0 | 0 | 0 | 0 | 111 | S137 W141 F407 T408 | S108-S137 WeakPolarHBondContact CA-O 3.29Å; S108-S137 WeakPolarHBondContact CB-O 3.32Å; S108-S137 PolarHBondContact N-O 3.48Å; S108-S137 PolarHBondContact O-N 3.13Å; S108-S137 VanDerWaalsContact O-N 3.09Å; S108-S137 VanDerWaalsContact O-O 3.1Å; S108-W141 PolarHBondContact O-NE1 3.01Å; S108-F407 CarbonylContact C-O 3.39Å; S108-F407 VanDerWaalsContact CA-O 3.3Å; S108-F407 WeakPolarHBondContact CA-O 3.4Å; S108-T408 PolarHBondContact OG-OG1 3.23Å; S108-T408 VanDerWaalsContact OG-OG1 3.11Å |
| 109 | V | 96.8 | Very high | 80.5 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118.3 | 169.2 | -178 | 0 | 0 | 0 | 0 | 107.7 | V134 Y135 W141 L212 L214 F225 F407 F409 | V109-V134 HydrophobicContact CG1-CG1 4.14Å; V109-Y135 WeakPolarHBondContact CA-O 3.05Å; V109-W141 HydrophobicContact CG2-CH2 4.2Å; V109-W141 HydrophobicContact CG2-CZ2 3.58Å; V109-L212 HydrophobicContact CG1-CD2 3.71Å; V109-L214 HydrophobicContact CG1-CD1 4.15Å; V109-L214 HydrophobicContact CG2-CD1 3.81Å; V109-F225 HydrophobicContact CB-CE1 4.38Å; V109-F225 HydrophobicContact CB-CZ 4.44Å; V109-F225 HydrophobicContact CG1-CD2 4.35Å; V109-F225 HydrophobicContact CG1-CG 4.43Å; V109-F225 HydrophobicContact CG2-CE1 4.24Å; V109-F225 HydrophobicContact CG2-CE2 4.18Å; V109-F225 HydrophobicContact CG2-CZ 3.88Å; V109-F407 HydrophobicContact CB-CB 4.38Å; V109-F407 PolarHBondContact N-O 3.2Å; V109-F407 WeakPolarHBondContact O-CD2 3.44Å; V109-F407 PolarHBondContact O-N 2.84Å; V109-F409 HydrophobicContact CG2-CE1 4.13Å |
| 110 | T | 96.6 | Very high | 83.4 | Confident | 15 Ų | 15 | 46.9 Ų | 46.9 | 9% | 0.092 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 125.6 | -179.5 | -39.5 | 0 | 0 | 0 | 0 | 109.9 | L112 V134 Y135 V404 V405 E406 | T110-L112 HydrophobicContact CG2-CD1 3.8Å; T110-V134 CarbonylContact O-C 3.54Å; T110-V134 VanDerWaalsContact O-CA 3.28Å; T110-V134 WeakPolarHBondContact O-CA 3.45Å; T110-Y135 PolarHBondContact N-O 3.45Å; T110-Y135 PolarHBondContact O-N 3.22Å; T110-V404 HydrophobicContact CG2-CG1 3.57Å; T110-V405 CarbonylContact C-O 3.54Å; T110-V405 VanDerWaalsContact CA-O 3.3Å; T110-V405 WeakPolarHBondContact CA-O 3.37Å; T110-E406 HydrophobicContact CG2-CB 4.35Å |
| 111 | I | 97.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 120.9 | 174.9 | -54 | 177.9 | 0 | 0 | 0 | 108.4 | C133 M164 L212 F225 V405 F407 | I111-C133 WeakPolarHBondContact CA-O 3.28Å; I111-M164 HydrophobicContact CG2-CE 4.32Å; I111-L212 HydrophobicContact CD1-CB 3.9Å; I111-L212 HydrophobicContact CD1-CD2 4Å; I111-L212 HydrophobicContact CG1-CD2 4.08Å; I111-F225 HydrophobicContact CD1-CB 4Å; I111-V405 PolarHBondContact N-O 2.99Å; I111-V405 PolarHBondContact O-N 3.49Å; I111-F407 HydrophobicContact CD1-CE2 4.02Å; I111-F407 HydrophobicContact CG1-CE2 4.43Å |
| 112 | L | 98 | Very high | 88.7 | Confident | 13 Ų | 13 | 34.1 Ų | 34.1 | 7% | 0.068 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 135.1 | 171.8 | -60.8 | 69.6 | 0 | 0 | 0 | 109.4 | T110 P132 C133 Y135 W286 E403 V404 | T110-L112 HydrophobicContact CG2-CD1 3.8Å; L112-P132 CarbonylContact O-C 3.56Å; L112-P132 VanDerWaalsContact O-CA 3.25Å; L112-P132 WeakPolarHBondContact O-CA 3.36Å; L112-C133 PolarHBondContact N-O 3.11Å; L112-C133 PolarHBondContact O-N 3.2Å; L112-Y135 HydrophobicContact CD1-CD2 3.45Å; L112-Y135 VanDerWaalsContact CD1-CD2 3.45Å; L112-Y135 HydrophobicContact CD1-CE2 3.6Å; L112-Y135 HydrophobicContact CD2-CE2 4.16Å; L112-Y135 HydrophobicContact CG-CE2 4.49Å; L112-W286 HydrophobicContact CB-CH2 3.48Å; L112-W286 VanDerWaalsContact CB-CH2 3.48Å; L112-W286 HydrophobicContact CB-CZ2 3.63Å; L112-W286 HydrophobicContact CB-CZ3 4.28Å; L112-W286 HydrophobicContact CD2-CH2 4.27Å; L112-W286 HydrophobicContact CD2-CZ3 4.28Å; L112-W286 HydrophobicContact CG-CH2 4.49Å; L112-E403 WeakPolarHBondContact CA-O 3.42Å; L112-V404 HydrophobicContact CD1-CG1 4.33Å; L112-V404 HydrophobicContact CD2-CG2 4.26Å; L112-V404 HydrophobicContact CG-CB 4.44Å; L112-V404 HydrophobicContact CG-CG1 4.1Å; L112-V404 HydrophobicContact CG-CG2 4Å |
| 113 | H | 98.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 164 | 179.7 | 65.9 | 93 | 0 | 0 | 0 | 112.1 | P132 L210 S227 R228 I230 V402 E403 | H113-P132 HydrophobicContact CB-CB 4.29Å; H113-P132 HydrophobicContact CB-CG 4.41Å; H113-L210 HydrophobicContact CB-CD1 3.85Å; H113-S227 WeakPolarHBondContact NE2-CB 3.46Å; H113-R228 PolarHBondContact CE1-O 3.04Å; H113-R228 VanDerWaalsContact CE1-O 3.26Å; H113-R228 PolarHBondContact NE2-N 3.29Å; H113-I230 HydrophobicContact CB-CD1 4.27Å; H113-I230 VanDerWaalsContact ND1-CD1 3.34Å; H113-I230 WeakPolarHBondContact ND1-CD1 3.35Å; H113-I230 WeakPolarHBondContact ND1-CG1 3.09Å; H113-V402 CarbonylContact O-C 3.58Å; H113-V402 VanDerWaalsContact O-CA 3.26Å; H113-V402 WeakPolarHBondContact O-CA 3.18Å; H113-V402 WeakPolarHBondContact O-CB 3.37Å; H113-E403 PolarHBondContact N-O 3.28Å; H113-E403 VanDerWaalsContact N-O 3.08Å; H113-E403 PolarHBondContact O-N 3.1Å |
| 114 | A | 98.1 | Very high | 92.9 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 7% | 0.066 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 148.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112 | V116 I400 | A114-V116 VanDerWaalsContact C-N 3.27Å; A114-V116 WeakPolarHBondContact CB-O 3.38Å; A114-V116 PolarHBondContact O-N 3.08Å; A114-I400 HydrophobicContact CB-CD1 3.53Å; A114-I400 HydrophobicContact CB-CG1 4.23Å |
| 115 | K | 97.6 | Very high | 94.5 | Very high | 65 Ų | 65 | 36.6 Ų | 36.6 | 28% | 0.283 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -71.1 | -22.2 | 172.7 | -71.8 | -174.2 | -174 | -136.9 | 0 | 113.2 | I230 K231 G401 V402 E403 | K115-I230 WeakPolarHBondContact O-CA 3.37Å; K115-K231 PolarHBondContact O-N 3.03Å; K115-G401 PolarHBondContact N-O 3.28Å; K115-V402 WeakPolarHBondContact CE-O 3.4Å; K115-E403 HydrophobicContact CD-CG 4.42Å; K115-E403 WeakPolarHBondContact CE-OE1 3.44Å; K115-E403 HydrophobicContact CG-CG 3.82Å; K115-E403 IonicContact NZ-OE1 3.21Å; K115-E403 PolarHBondContact NZ-OE1 3.12Å |
| 116 | V | 97.1 | Very high | 95.1 | Very high | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 151.2 | -180 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | A114 K231 I233 L248 Q351 I400 | A114-V116 VanDerWaalsContact C-N 3.27Å; A114-V116 WeakPolarHBondContact CB-O 3.38Å; A114-V116 PolarHBondContact O-N 3.08Å; V116-K231 CarbonylContact C-O 3.31Å; V116-K231 WeakPolarHBondContact CA-O 3.49Å; V116-K231 HydrophobicContact CG1-CB 4.24Å; V116-I233 HydrophobicContact CB-CD1 4.32Å; V116-I233 HydrophobicContact CB-CG2 4.44Å; V116-I233 HydrophobicContact CG2-CD1 4.09Å; V116-L248 HydrophobicContact CG1-CD2 4.44Å; V116-Q351 HydrophobicContact CG1-CB 4.37Å; V116-Q351 HydrophobicContact CG1-CG 3.88Å; V116-Q351 HydrophobicContact CG2-CB 3.83Å; V116-Q351 HydrophobicContact CG2-CG 4.14Å; V116-I400 HydrophobicContact CG2-CD1 3.83Å; V116-I400 HydrophobicContact CG2-CG1 4.09Å |
| 117 | A | 96.8 | Very high | 95.2 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 131.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | F128 F208 I230 K231 V232 I233 | A117-F128 HydrophobicContact CB-CD1 3.8Å; A117-F128 HydrophobicContact CB-CE1 3.53Å; A117-F128 HydrophobicContact CB-CZ 4.11Å; A117-F208 HydrophobicContact CB-CE1 3.87Å; A117-F208 HydrophobicContact CB-CZ 3.8Å; A117-I230 HydrophobicContact CB-CG2 3.8Å; A117-K231 PolarHBondContact N-O 2.99Å; A117-V232 WeakPolarHBondContact O-CA 3.17Å; A117-I233 WeakPolarHBondContact O-CG1 3.43Å; A117-I233 PolarHBondContact O-N 3.35Å |
| 118 | Q | 95.3 | Very high | 95.4 | Very high | 40 Ų | 40 | 43.3 Ų | 43.3 | 19% | 0.187 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 128.6 | 176.5 | -169.2 | -178.4 | -2.5 | 0 | 0 | 110.9 | I233 S234 | Q118-I233 WeakPolarHBondContact CA-O 3.3Å; Q118-I233 HydrophobicContact CB-CG1 4.41Å; Q118-S234 WeakPolarHBondContact CG-O 3.31Å; Q118-S234 PolarHBondContact NE2-O 2.92Å |
| 119 | K | 94.4 | Very high | 95.5 | Very high | 30 Ų | 30 | 43.6 Ų | 43.6 | 13% | 0.13 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -66 | 138.3 | 176.7 | -179.1 | 171.1 | -74.6 | -146.3 | 0 | 112.1 | Y121 R126 D201 D203 V232 I233 | K119-Y121 HydrophobicContact CB-CE2 4.22Å; K119-Y121 HydrophobicContact CD-CE1 4.2Å; K119-Y121 HydrophobicContact CG-CE2 4.22Å; K119-R126 WeakPolarHBondContact O-CD 3.37Å; K119-D201 HydrophobicContact CD-CB 3.79Å; K119-D201 HydrophobicContact CG-CB 3.95Å; K119-D203 PolarHBondContact NZ-O 2.85Å; K119-V232 HydrophobicContact CB-CG1 4.13Å; K119-I233 PolarHBondContact N-O 3.47Å |
| 120 | S | 94.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -89.8 | 136.4 | 172.2 | -59.6 | 0 | 0 | 0 | 0 | 110.1 | E124 R126 I199 S200 D201 | S120-E124 VanDerWaalsContact CB-O 3.28Å; S120-E124 WeakPolarHBondContact CB-O 3.06Å; S120-R126 PolarHBondContact OG-N 2.52Å; S120-I199 VanDerWaalsContact CB-O 3.27Å; S120-I199 WeakPolarHBondContact CB-O 3.29Å; S120-I199 PolarHBondContact N-O 2.73Å; S120-I199 PolarHBondContact OG-O 2.91Å; S120-S200 CarbonylContact O-C 3.53Å; S120-D201 WeakPolarHBondContact O-CB 3.37Å; S120-D201 PolarHBondContact O-N 3.36Å |
| 121 | Y | 93.8 | Very high | 95.5 | Very high | 97 Ų | 97 | 43.1 Ų | 43.1 | 38% | 0.38 | 22% | 0.215 | S | C | . | . | trans | -114.3 | 133.2 | -175.6 | -71.4 | -87.6 | 0 | 0 | 0 | 111.5 | K119 N123 E124 D201 S234 | K119-Y121 HydrophobicContact CB-CE2 4.22Å; K119-Y121 HydrophobicContact CD-CE1 4.2Å; K119-Y121 HydrophobicContact CG-CE2 4.22Å; Y121-N123 PolarHBondContact O-N 3.14Å; Y121-E124 WeakPolarHBondContact O-CB 3.36Å; Y121-E124 PolarHBondContact O-N 3.17Å; Y121-E124 VanDerWaalsContact O-N 3.16Å; Y121-D201 HydrophobicContact CD1-CB 3.76Å; Y121-D201 HydrophobicContact CE1-CB 4.12Å; Y121-D201 HydrophobicContact CG-CB 4.39Å; Y121-S234 WeakPolarHBondContact OH-CB 3.34Å | ||
| 122 | G | 93.4 | Very high | 95.5 | Very high | 52 Ų | 52 | 43.2 Ų | 43.2 | 54% | 0.536 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | -123.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D201 | G122-D201 PolarHBondContact N-OD1 2.95Å; G122-D201 PolarHBondContact N-OD2 2.83Å |
| 123 | N | 92.7 | Very high | 95.4 | Very high | 167 Ų | 167 | 42.6 Ų | 42.6 | 89% | 0.893 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -3.8 | -179.5 | -63.5 | -28.4 | 0 | 0 | 0 | 113.7 | Y121 | Y121-N123 PolarHBondContact O-N 3.14Š|
| 124 | E | 91.6 | Very high | 95.4 | Very high | 86 Ų | 86 | 42.6 Ų | 42.6 | 40% | 0.402 | 21% | 0.212 | S | C | . | . | trans | -64.9 | 144.7 | 175.3 | -174.2 | -176.7 | -171.3 | 0 | 0 | 109.9 | S120 Y121 R126 | S120-E124 VanDerWaalsContact CB-O 3.28Å; S120-E124 WeakPolarHBondContact CB-O 3.06Å; Y121-E124 WeakPolarHBondContact O-CB 3.36Å; Y121-E124 PolarHBondContact O-N 3.17Å; Y121-E124 VanDerWaalsContact O-N 3.16Å; E124-R126 VanDerWaalsContact CD-CZ 3.45Å; E124-R126 VanDerWaalsContact CD-NE 3.33Å; E124-R126 HydrophobicContact CG-CG 4.21Å; E124-R126 IonicContact OE1-CZ 3.85Å; E124-R126 IonicContact OE1-NE 2.96Å; E124-R126 PolarHBondContact OE1-NE 2.81Å; E124-R126 IonicContact OE1-NH1 3.46Å; E124-R126 IonicContact OE1-NH2 2.65Å; E124-R126 PolarHBondContact OE1-NH2 3.38Å; E124-R126 IonicContact OE2-CZ 3.56Å; E124-R126 VanDerWaalsContact OE2-CZ 3.22Å; E124-R126 IonicContact OE2-NE 2.73Å; E124-R126 PolarHBondContact OE2-NE 3.18Å; E124-R126 IonicContact OE2-NH2 2.75Å; E124-R126 PolarHBondContact OE2-NH2 3.23Å | ||
| 125 | K | 92.2 | Very high | 95.2 | Very high | 130 Ų | 130 | 43.4 Ų | 43.4 | 57% | 0.565 | 21% | 0.214 | S | C | * | . | trans | -118.2 | 108.9 | 170.9 | -65.5 | -177.3 | -179.1 | 180 | 0 | 110.3 | F127 F198 | K125-F127 HydrophobicContact CB-CE1 3.94Å; K125-F127 HydrophobicContact CB-CZ 4.08Å; K125-F127 HydrophobicContact CD-CE1 4.28Å; K125-F127 HydrophobicContact CD-CZ 4.41Å; K125-F198 HydrophobicContact CB-CG 4.45Å; K125-F198 HydrophobicContact CD-CD1 4.27Å; K125-F198 HydrophobicContact CD-CE1 3.85Å; K125-F198 HydrophobicContact CD-CZ 4.06Å; K125-F198 HydrophobicContact CG-CD1 4.33Å; K125-F198 HydrophobicContact CG-CD2 4.37Å; K125-F198 HydrophobicContact CG-CE1 4.17Å; K125-F198 HydrophobicContact CG-CE2 4.19Å; K125-F198 HydrophobicContact CG-CG 4.45Å; K125-F198 HydrophobicContact CG-CZ 4.1Å | ||
| 126 | R | 93.3 | Very high | 95.1 | Very high | 78 Ų | 78 | 40.5 Ų | 40.5 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | trans | -96.9 | 94.3 | 172.9 | -62.7 | -177.1 | -177.2 | -90.9 | -9.8 | 108.5 | K119 S120 E124 F198 | K119-R126 WeakPolarHBondContact O-CD 3.37Å; S120-R126 PolarHBondContact OG-N 2.52Å; E124-R126 VanDerWaalsContact CD-CZ 3.45Å; E124-R126 VanDerWaalsContact CD-NE 3.33Å; E124-R126 HydrophobicContact CG-CG 4.21Å; E124-R126 IonicContact OE1-CZ 3.85Å; E124-R126 IonicContact OE1-NE 2.96Å; E124-R126 PolarHBondContact OE1-NE 2.81Å; E124-R126 IonicContact OE1-NH1 3.46Å; E124-R126 IonicContact OE1-NH2 2.65Å; E124-R126 PolarHBondContact OE1-NH2 3.38Å; E124-R126 IonicContact OE2-CZ 3.56Å; E124-R126 VanDerWaalsContact OE2-CZ 3.22Å; E124-R126 IonicContact OE2-NE 2.73Å; E124-R126 PolarHBondContact OE2-NE 3.18Å; E124-R126 IonicContact OE2-NH2 2.75Å; E124-R126 PolarHBondContact OE2-NH2 3.23Å; R126-F198 WeakPolarHBondContact O-CB 3.26Å | ||
| 127 | F | 94.9 | Very high | 94.9 | Very high | 85 Ų | 85 | 41.6 Ų | 41.6 | 37% | 0.373 | 21% | 0.209 | S | C | . | . | trans | -64.9 | 146.1 | 177.9 | -56.6 | -51.6 | 0 | 0 | 0 | 111.6 | K125 C129 K195 S196 L197 F198 | K125-F127 HydrophobicContact CB-CE1 3.94Å; K125-F127 HydrophobicContact CB-CZ 4.08Å; K125-F127 HydrophobicContact CD-CE1 4.28Å; K125-F127 HydrophobicContact CD-CZ 4.41Å; F127-C129 PolarHBondContact O-N 3.1Å; F127-K195 WeakPolarHBondContact CB-O 3.4Å; F127-S196 WeakPolarHBondContact CD1-O 3.42Å; F127-S196 WeakPolarHBondContact CE1-O 3.12Å; F127-L197 CarbonylContact C-O 3.58Å; F127-L197 VanDerWaalsContact CA-O 3.26Å; F127-L197 WeakPolarHBondContact CA-O 3.31Å; F127-F198 HydrophobicContact CD1-CB 4.25Å; F127-F198 HydrophobicContact CD1-CD1 4.35Å; F127-F198 HydrophobicContact CE1-CD1 4.17Å | ||
| 128 | F | 96.1 | Very high | 94.6 | Very high | 17 Ų | 17 | 43 Ų | 43 | 8% | 0.075 | 23% | 0.225 | C | C | . | . | trans | -60.3 | 135.1 | 176.3 | -60.2 | -18.7 | 0 | 0 | 0 | 110.8 | A117 P130 P132 L166 L197 I199 F208 L210 | A117-F128 HydrophobicContact CB-CD1 3.8Å; A117-F128 HydrophobicContact CB-CE1 3.53Å; A117-F128 HydrophobicContact CB-CZ 4.11Å; F128-P130 CarbonylContact C-O 3.58Å; F128-P130 CarbonylContact O-C 3.37Å; F128-P132 HydrophobicContact CB-CG 4.5Å; F128-P132 HydrophobicContact CD2-CG 4.09Å; F128-L166 HydrophobicContact CE2-CD2 4.08Å; F128-L166 HydrophobicContact CZ-CD2 4.01Å; F128-L197 HydrophobicContact CD2-CB 3.66Å; F128-L197 HydrophobicContact CE2-CB 3.85Å; F128-L197 HydrophobicContact CG-CB 4.41Å; F128-L197 PolarHBondContact N-O 3.06Å; F128-I199 HydrophobicContact CE1-CB 4.3Å; F128-I199 HydrophobicContact CE1-CG2 4.06Å; F128-I199 HydrophobicContact CZ-CB 4.22Å; F128-I199 HydrophobicContact CZ-CG2 4.4Å; F128-F208 HydrophobicContact CE1-CZ 4.29Å; F128-F208 HydrophobicContact CE2-CE2 4.06Å; F128-F208 AromaticContact CE2-CZ 3.87Å; F128-F208 HydrophobicContact CE2-CZ 3.87Å; F128-F208 HydrophobicContact CZ-CE1 4.39Å; F128-F208 HydrophobicContact CZ-CE2 4.08Å; F128-F208 AromaticContact CZ-CZ 3.52Å; F128-F208 HydrophobicContact CZ-CZ 3.52Å; F128-L210 HydrophobicContact CE2-CD2 4.18Å | ||
| 129 | C | 95.9 | Very high | 94.2 | Very high | 19 Ų | 19 | 45.6 Ų | 45.6 | 13% | 0.128 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -141.6 | 116 | -175.8 | -170.2 | 0 | 0 | 0 | 0 | 109.8 | F127 F259 R261 | F127-C129 PolarHBondContact O-N 3.1Å; C129-F259 HydrophobicContact CB-CZ 4.5Å; C129-R261 PolarHBondContact SG-NH2 3.08Å |
| 130 | P | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | S | Bend | cis | -65.1 | 154.2 | -0.4 | 30.6 | -38.3 | 0 | 0 | 0 | 113.1 | F128 A257 Y271 W286 I400 V402 | F128-P130 CarbonylContact C-O 3.58Å; F128-P130 CarbonylContact O-C 3.37Å; P130-A257 HydrophobicContact CG-CB 4.03Å; P130-Y271 HydrophobicContact CB-CD1 3.96Å; P130-Y271 HydrophobicContact CB-CE1 3.7Å; P130-W286 HydrophobicContact CB-CB 4.45Å; P130-W286 HydrophobicContact CB-CD2 3.66Å; P130-W286 HydrophobicContact CB-CE3 4.33Å; P130-W286 HydrophobicContact CB-CG 3.71Å; P130-W286 HydrophobicContact CB-CZ2 4.14Å; P130-W286 HydrophobicContact CG-CD2 3.88Å; P130-W286 HydrophobicContact CG-CE3 4.08Å; P130-W286 HydrophobicContact CG-CG 4.42Å; P130-W286 HydrophobicContact CG-CH2 4.06Å; P130-W286 HydrophobicContact CG-CZ2 3.89Å; P130-W286 HydrophobicContact CG-CZ3 4.18Å; P130-I400 HydrophobicContact CG-CG2 4.47Å; P130-V402 HydrophobicContact CG-CG1 4.25Å |
| 131 | P | 97.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.032 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 135.7 | 178.4 | 28.5 | -35.1 | 0 | 0 | 0 | 109.5 | C133 K195 Y271 W286 | P131-C133 PolarHBondContact O-N 3.1Å; P131-K195 HydrophobicContact CB-CG 4.25Å; P131-K195 HydrophobicContact CG-CG 4.45Å; P131-Y271 VanDerWaalsContact CD-OH 3.26Å; P131-Y271 WeakPolarHBondContact CD-OH 3.21Å; P131-W286 PolarHBondContact O-NE1 3.14Å |
| 132 | P | 97.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -53.6 | 135.5 | 173.1 | -26.1 | 34.8 | 0 | 0 | 0 | 110.6 | L112 H113 F128 M164 C193 A194 L197 L210 | L112-P132 CarbonylContact O-C 3.56Å; L112-P132 VanDerWaalsContact O-CA 3.25Å; L112-P132 WeakPolarHBondContact O-CA 3.36Å; H113-P132 HydrophobicContact CB-CB 4.29Å; H113-P132 HydrophobicContact CB-CG 4.41Å; F128-P132 HydrophobicContact CB-CG 4.5Å; F128-P132 HydrophobicContact CD2-CG 4.09Å; P132-M164 HydrophobicContact CB-SD 3.78Å; P132-C193 CarbonylContact O-C 3.45Å; P132-C193 WeakPolarHBondContact O-CA 3.38Å; P132-A194 HydrophobicContact CB-CB 4.46Å; P132-A194 PolarHBondContact O-N 2.69Å; P132-L197 HydrophobicContact CG-CD1 4.27Å; P132-L210 HydrophobicContact CB-CD1 3.6Å; P132-L210 HydrophobicContact CG-CD1 3.56Å |
| 133 | C | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 153.8 | 178.9 | 63.4 | 0 | 0 | 0 | 0 | 111.8 | I111 L112 P131 F191 A192 C193 | I111-C133 WeakPolarHBondContact CA-O 3.28Å; L112-C133 PolarHBondContact N-O 3.11Å; L112-C133 PolarHBondContact O-N 3.2Å; P131-C133 PolarHBondContact O-N 3.1Å; C133-F191 HydrophobicContact CB-CD2 4.46Å; C133-F191 HydrophobicContact CB-CE2 3.61Å; C133-F191 HydrophobicContact CB-CZ 4.22Å; C133-A192 CarbonylContact C-O 3.48Å; C133-A192 VanDerWaalsContact CA-O 3.26Å; C133-A192 WeakPolarHBondContact CA-O 3.37Å; C133-A192 WeakPolarHBondContact CB-O 3.43Å; C133-C193 HydrophobicContact CB-CB 4.05Å |
| 134 | V | 97.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 128.9 | -177.4 | -177 | 0 | 0 | 0 | 0 | 108 | V109 T110 I136 M164 L179 F181 F191 A192 L212 | V109-V134 HydrophobicContact CG1-CG1 4.14Å; T110-V134 CarbonylContact O-C 3.54Å; T110-V134 VanDerWaalsContact O-CA 3.28Å; T110-V134 WeakPolarHBondContact O-CA 3.45Å; V134-I136 HydrophobicContact CG1-CG1 4.36Å; V134-M164 HydrophobicContact CG2-CE 3.39Å; V134-L179 HydrophobicContact CB-CD1 4.35Å; V134-L179 HydrophobicContact CG2-CD1 3.72Å; V134-F181 HydrophobicContact CB-CE1 4.05Å; V134-F181 HydrophobicContact CB-CZ 4.3Å; V134-F181 HydrophobicContact CG1-CE1 3.84Å; V134-F181 HydrophobicContact CG1-CZ 3.97Å; V134-F191 WeakPolarHBondContact O-CA 3.49Å; V134-A192 PolarHBondContact N-O 2.88Å; V134-A192 PolarHBondContact O-N 2.79Å; V134-L212 HydrophobicContact CB-CD2 4.45Å; V134-L212 HydrophobicContact CG1-CD2 3.65Å; V134-L212 HydrophobicContact CG2-CD1 4.17Å; V134-L212 HydrophobicContact CG2-CD2 3.89Å |
| 135 | Y | 95.3 | Very high | 91.5 | Very high | 24 Ų | 24 | 35.2 Ų | 35.2 | 9% | 0.094 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 137.6 | 169.6 | -64.7 | -90.3 | 0 | 0 | 0 | 109.8 | V109 T110 L112 Q189 L190 F191 | V109-Y135 WeakPolarHBondContact CA-O 3.05Å; T110-Y135 PolarHBondContact N-O 3.45Å; T110-Y135 PolarHBondContact O-N 3.22Å; L112-Y135 HydrophobicContact CD1-CD2 3.45Å; L112-Y135 VanDerWaalsContact CD1-CD2 3.45Å; L112-Y135 HydrophobicContact CD1-CE2 3.6Å; L112-Y135 HydrophobicContact CD2-CE2 4.16Å; L112-Y135 HydrophobicContact CG-CE2 4.49Å; Y135-Q189 HydrophobicContact CD1-CG 4.11Å; Y135-L190 CarbonylContact C-O 3.57Å; Y135-L190 WeakPolarHBondContact CA-O 3.26Å; Y135-F191 HydrophobicContact CD1-CB 4.27Å; Y135-F191 AromaticContact CD1-CD2 3.82Å; Y135-F191 HydrophobicContact CD1-CD2 3.82Å; Y135-F191 HydrophobicContact CE1-CB 4.26Å; Y135-F191 AromaticContact CE1-CD2 3.32Å; Y135-F191 HydrophobicContact CE1-CD2 3.32Å; Y135-F191 AromaticContact CE1-CE2 4Å; Y135-F191 HydrophobicContact CE1-CE2 4Å; Y135-F191 HydrophobicContact CE1-CG 4.14Å; Y135-F191 HydrophobicContact CE2-CD2 4.1Å; Y135-F191 HydrophobicContact CE2-CE2 4.19Å; Y135-F191 HydrophobicContact CG-CD2 4.41Å; Y135-F191 AromaticContact CZ-CD2 3.48Å; Y135-F191 VanDerWaalsContact CZ-CD2 3.48Å; Y135-F191 AromaticContact CZ-CE2 3.67Å |
| 136 | I | 94.5 | Very high | 91 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 114.3 | 172.8 | -55.3 | -179.4 | 0 | 0 | 0 | 107.4 | V134 W141 I160 F181 Q189 L190 L214 | V134-I136 HydrophobicContact CG1-CG1 4.36Å; I136-W141 HydrophobicContact CG2-CD2 3.55Å; I136-W141 HydrophobicContact CG2-CE3 4.17Å; I136-W141 HydrophobicContact CG2-CG 3.83Å; I136-W141 HydrophobicContact CG2-CH2 4.34Å; I136-W141 HydrophobicContact CG2-CZ2 3.77Å; I136-I160 HydrophobicContact CD1-CB 4.46Å; I136-I160 HydrophobicContact CD1-CD1 4.05Å; I136-I160 HydrophobicContact CD1-CG2 3.68Å; I136-I160 HydrophobicContact CG2-CD1 4.17Å; I136-F181 HydrophobicContact CD1-CD1 3.97Å; I136-F181 HydrophobicContact CD1-CE1 3.54Å; I136-F181 HydrophobicContact CD1-CE2 4.16Å; I136-F181 HydrophobicContact CD1-CG 4.46Å; I136-F181 HydrophobicContact CD1-CZ 3.66Å; I136-F181 HydrophobicContact CG1-CD1 4.36Å; I136-F181 HydrophobicContact CG1-CE1 3.84Å; I136-F181 HydrophobicContact CG1-CZ 4.31Å; I136-Q189 WeakPolarHBondContact O-CA 3.48Å; I136-Q189 VanDerWaalsContact O-CG 3.27Å; I136-Q189 WeakPolarHBondContact O-CG 3.49Å; I136-L190 HydrophobicContact CB-CB 4.09Å; I136-L190 HydrophobicContact CB-CD1 4.45Å; I136-L190 HydrophobicContact CD1-CD1 4.45Å; I136-L190 PolarHBondContact N-O 3.32Å; I136-L190 PolarHBondContact O-N 2.89Å; I136-L214 HydrophobicContact CD1-CD1 4.02Å; I136-L214 HydrophobicContact CD1-CD2 4.37Å |
| 137 | S | 92.5 | Very high | 90.2 | Very high | 30 Ų | 30 | 33 Ų | 33 | 21% | 0.21 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 168.3 | -174.8 | 47.6 | 0 | 0 | 0 | 0 | 110.4 | S108 W141 | S108-S137 WeakPolarHBondContact CA-O 3.29Å; S108-S137 WeakPolarHBondContact CB-O 3.32Å; S108-S137 PolarHBondContact N-O 3.48Å; S108-S137 PolarHBondContact O-N 3.13Å; S108-S137 VanDerWaalsContact O-N 3.09Å; S108-S137 VanDerWaalsContact O-O 3.1Å; S137-W141 PolarHBondContact O-NE1 2.98Å |
| 138 | G | 90.4 | Very high | 89.2 | Confident | 36 Ų | 36 | 30 Ų | 30 | 37% | 0.371 | 16% | 0.157 | S | C | . | . | trans | 108.9 | 140.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D106 G140 W141 | D106-G138 CarbonylContact O-C 3.55Å; D106-G138 VanDerWaalsContact O-C 3.26Å; D106-G138 VanDerWaalsContact O-CA 3.28Å; D106-G138 WeakPolarHBondContact O-CA 3.5Å; G138-G140 PolarHBondContact O-N 3.07Å; G138-W141 PolarHBondContact O-N 2.81Å | ||
| 139 | H | 87.1 | Confident | 88.2 | Confident | 94 Ų | 94 | 33.1 Ų | 33.1 | 44% | 0.435 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66.9 | -25.9 | -174.5 | -179.9 | -95.1 | 0 | 0 | 0 | 112.3 | H104 D106 W141 R142 V143 | H104-H139 VanDerWaalsContact O-CB 3.28Å; H104-H139 WeakPolarHBondContact O-CB 3.4Å; H104-H139 PolarHBondContact O-ND1 3.5Å; D106-H139 PolarHBondContact O-N 3.38Å; H139-W141 PolarHBondContact O-N 3.48Å; H139-R142 WeakPolarHBondContact O-CB 3.1Å; H139-R142 PolarHBondContact O-N 3.03Å; H139-V143 WeakPolarHBondContact CE1-CG2 3.32Å; H139-V143 WeakPolarHBondContact ND1-CG2 3.27Å; H139-V143 PolarHBondContact O-N 3.38Å; H139-V143 VanDerWaalsContact O-N 3.13Å |
| 140 | G | 87.9 | Confident | 87.2 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.7 | -26.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A105 D106 Q107 G138 R142 V143 M144 | A105-G140 WeakPolarHBondContact O-CA 3.49Å; D106-G140 PolarHBondContact O-N 3.27Å; Q107-G140 VanDerWaalsContact CG-C 3.47Å; Q107-G140 PolarHBondContact NE2-O 3.08Å; Q107-G140 VanDerWaalsContact NE2-O 3.16Å; G138-G140 PolarHBondContact O-N 3.07Å; G140-R142 VanDerWaalsContact C-N 3.31Å; G140-R142 PolarHBondContact O-N 3.49Å; G140-V143 PolarHBondContact O-N 3.13Å; G140-M144 WeakPolarHBondContact O-CB 2.86Å; G140-M144 PolarHBondContact O-N 3.42Å |
| 141 | W | 87.8 | Confident | 85.9 | Confident | 20 Ų | 20 | 38.9 Ų | 38.9 | 8% | 0.076 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.8 | -38.8 | 173.4 | -69 | 103.3 | 0 | 0 | 0 | 111.6 | Q107 S108 V109 I136 S137 G138 H139 M144 Q145 I160 L214 V222 F409 | Q107-W141 HydrophobicContact CB-CD2 4.19Å; Q107-W141 HydrophobicContact CB-CG 4.35Å; Q107-W141 HydrophobicContact CB-CZ2 4Å; Q107-W141 HydrophobicContact CG-CD2 3.95Å; Q107-W141 HydrophobicContact CG-CG 3.94Å; S108-W141 PolarHBondContact O-NE1 3.01Å; V109-W141 HydrophobicContact CG2-CH2 4.2Å; V109-W141 HydrophobicContact CG2-CZ2 3.58Å; I136-W141 HydrophobicContact CG2-CD2 3.55Å; I136-W141 HydrophobicContact CG2-CE3 4.17Å; I136-W141 HydrophobicContact CG2-CG 3.83Å; I136-W141 HydrophobicContact CG2-CH2 4.34Å; I136-W141 HydrophobicContact CG2-CZ2 3.77Å; S137-W141 PolarHBondContact O-NE1 2.98Å; G138-W141 PolarHBondContact O-N 2.81Å; H139-W141 PolarHBondContact O-N 3.48Å; W141-M144 HydrophobicContact CE3-CE 3.52Å; W141-M144 HydrophobicContact CZ3-CE 3.79Å; W141-Q145 WeakPolarHBondContact O-CB 3.49Å; W141-Q145 PolarHBondContact O-N 3.45Å; W141-I160 HydrophobicContact CD2-CD1 4.28Å; W141-I160 HydrophobicContact CE3-CD1 3.48Å; W141-I160 VanDerWaalsContact CE3-CD1 3.48Å; W141-I160 HydrophobicContact CZ3-CD1 3.62Å; W141-L214 HydrophobicContact CH2-CD1 4.39Å; W141-V222 HydrophobicContact CH2-CG1 3.8Å; W141-V222 HydrophobicContact CZ3-CG1 4.04Å; W141-F409 AromaticContact CH2-CZ 3.86Å; W141-F409 HydrophobicContact CH2-CZ 3.86Å; W141-F409 HydrophobicContact CZ2-CE1 4.25Å; W141-F409 AromaticContact CZ2-CZ 3.68Å; W141-F409 HydrophobicContact CZ2-CZ 3.68Å |
| 142 | R | 83.6 | Confident | 84.3 | Confident | 73 Ų | 73 | 42 Ų | 42 | 28% | 0.275 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -71.7 | -42.7 | 177.3 | -171.3 | 179.9 | -56.7 | 125 | 21.2 | 111.4 | H139 G140 M144 Q145 D146 R188 | H139-R142 WeakPolarHBondContact O-CB 3.1Å; H139-R142 PolarHBondContact O-N 3.03Å; G140-R142 VanDerWaalsContact C-N 3.31Å; G140-R142 PolarHBondContact O-N 3.49Å; R142-M144 VanDerWaalsContact C-N 3.28Å; R142-M144 PolarHBondContact O-N 3.34Å; R142-Q145 CarbonylContact O-C 3.47Å; R142-Q145 WeakPolarHBondContact O-CA 3.43Å; R142-Q145 WeakPolarHBondContact O-CB 3.28Å; R142-Q145 PolarHBondContact O-N 2.77Å; R142-D146 WeakPolarHBondContact CG-OD2 3.43Å; R142-D146 PolarHBondContact O-N 3.21Å; R142-R188 VanDerWaalsContact NH1-NH1 3.17Å |
| 143 | V | 83.5 | Confident | 82.7 | Confident | 46 Ų | 46 | 48.8 Ų | 48.8 | 28% | 0.279 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.1 | -45.8 | 175.9 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | H139 G140 Q145 D146 H147 L413 | H139-V143 WeakPolarHBondContact CE1-CG2 3.32Å; H139-V143 WeakPolarHBondContact ND1-CG2 3.27Å; H139-V143 PolarHBondContact O-N 3.38Å; H139-V143 VanDerWaalsContact O-N 3.13Å; G140-V143 PolarHBondContact O-N 3.13Å; V143-Q145 PolarHBondContact O-N 2.62Å; V143-D146 PolarHBondContact O-N 2.86Å; V143-H147 WeakPolarHBondContact O-CB 3.37Å; V143-H147 PolarHBondContact O-N 3.35Å; V143-L413 HydrophobicContact CG1-CD2 4.4Å |
| 144 | M | 82.2 | Confident | 81.2 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 4% | 0.044 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60 | -45.6 | 174.1 | -177.3 | -179.1 | 69.1 | 0 | 0 | 111.5 | G140 W141 R142 H147 L148 L216 I416 | G140-M144 WeakPolarHBondContact O-CB 2.86Å; G140-M144 PolarHBondContact O-N 3.42Å; W141-M144 HydrophobicContact CE3-CE 3.52Å; W141-M144 HydrophobicContact CZ3-CE 3.79Å; R142-M144 VanDerWaalsContact C-N 3.28Å; R142-M144 PolarHBondContact O-N 3.34Å; M144-H147 PolarHBondContact O-N 2.87Å; M144-L148 HydrophobicContact CG-CD1 4.15Å; M144-L148 VanDerWaalsContact O-CG 3.31Å; M144-L148 WeakPolarHBondContact O-CG 3.14Å; M144-L148 PolarHBondContact O-N 2.97Å; M144-L148 VanDerWaalsContact O-N 3.08Å; M144-L216 HydrophobicContact CE-CD2 3.96Å; M144-I416 HydrophobicContact CG-CD1 3.92Å; M144-I416 HydrophobicContact CG-CG1 4.3Å |
| 145 | Q | 79.6 | Confident | 79.6 | Confident | 66 Ų | 66 | 56.4 Ų | 56.4 | 31% | 0.308 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 179.8 | -159.5 | -168.3 | -7.6 | 0 | 0 | 112.4 | W141 R142 V143 L148 K149 Y158 | W141-Q145 WeakPolarHBondContact O-CB 3.49Å; W141-Q145 PolarHBondContact O-N 3.45Å; R142-Q145 CarbonylContact O-C 3.47Å; R142-Q145 WeakPolarHBondContact O-CA 3.43Å; R142-Q145 WeakPolarHBondContact O-CB 3.28Å; R142-Q145 PolarHBondContact O-N 2.77Å; V143-Q145 PolarHBondContact O-N 2.62Å; Q145-L148 PolarHBondContact O-N 2.86Å; Q145-K149 WeakPolarHBondContact O-CG 3.04Å; Q145-K149 PolarHBondContact O-N 2.73Å; Q145-Y158 HydrophobicContact CG-CD2 3.25Å; Q145-Y158 HydrophobicContact CG-CE2 3.64Å; Q145-Y158 HydrophobicContact CG-CG 3.82Å |
| 146 | D | 80.1 | Confident | 78.1 | Confident | 72 Ų | 72 | 59.9 Ų | 59.9 | 39% | 0.385 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.3 | -33.9 | -177.6 | -68.8 | -22.1 | 0 | 0 | 0 | 111.7 | R142 V143 K149 A150 | R142-D146 WeakPolarHBondContact CG-OD2 3.43Å; R142-D146 PolarHBondContact O-N 3.21Å; V143-D146 PolarHBondContact O-N 2.86Å; D146-K149 WeakPolarHBondContact O-CB 3.38Å; D146-K149 PolarHBondContact O-N 3.06Å; D146-K149 IonicContact OD1-NZ 2.64Å; D146-K149 PolarHBondContact OD1-NZ 3.04Å; D146-A150 PolarHBondContact O-N 2.7Å |
| 147 | H | 77.4 | Confident | 76.7 | Confident | 89 Ų | 89 | 61 Ų | 61 | 41% | 0.412 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 172.1 | -175.1 | 71.6 | 0 | 0 | 0 | 112.2 | V143 M144 K149 A150 G151 L413 | V143-H147 WeakPolarHBondContact O-CB 3.37Å; V143-H147 PolarHBondContact O-N 3.35Å; M144-H147 PolarHBondContact O-N 2.87Å; H147-K149 VanDerWaalsContact C-N 3.32Å; H147-K149 PolarHBondContact O-N 3.04Å; H147-A150 PolarHBondContact O-N 2.62Å; H147-G151 PolarHBondContact O-N 3.29Å; H147-G151 VanDerWaalsContact O-N 3.13Å; H147-L413 HydrophobicContact CB-CD2 3.67Å |
| 148 | L | 74.9 | Confident | 75.6 | Confident | 23 Ų | 23 | 60.8 Ų | 60.8 | 12% | 0.12 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 177 | -69.2 | 171.2 | 0 | 0 | 0 | 112 | M144 Q145 G151 Y158 L216 | M144-L148 HydrophobicContact CG-CD1 4.15Å; M144-L148 VanDerWaalsContact O-CG 3.31Å; M144-L148 WeakPolarHBondContact O-CG 3.14Å; M144-L148 PolarHBondContact O-N 2.97Å; M144-L148 VanDerWaalsContact O-N 3.08Å; Q145-L148 PolarHBondContact O-N 2.86Å; L148-G151 PolarHBondContact O-N 2.89Å; L148-Y158 HydrophobicContact CB-CD1 4.43Å; L148-L216 HydrophobicContact CD1-CD1 4.34Å |
| 149 | K | 74.6 | Confident | 75.2 | Confident | 82 Ų | 82 | 66.9 Ų | 66.9 | 36% | 0.357 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 171.1 | -72.4 | 176.1 | -152.2 | 165.4 | 0 | 111.9 | Q145 D146 H147 G151 G152 Y158 | Q145-K149 WeakPolarHBondContact O-CG 3.04Å; Q145-K149 PolarHBondContact O-N 2.73Å; D146-K149 WeakPolarHBondContact O-CB 3.38Å; D146-K149 PolarHBondContact O-N 3.06Å; D146-K149 IonicContact OD1-NZ 2.64Å; D146-K149 PolarHBondContact OD1-NZ 3.04Å; H147-K149 VanDerWaalsContact C-N 3.32Å; H147-K149 PolarHBondContact O-N 3.04Å; K149-G151 PolarHBondContact O-N 2.95Å; K149-G152 PolarHBondContact O-N 3.09Å; K149-G152 VanDerWaalsContact O-N 3.1Å; K149-Y158 HydrophobicContact CB-CE1 4.44Å; K149-Y158 HydrophobicContact CD-CE1 4.24Å; K149-Y158 WeakPolarHBondContact CD-OH 3.35Å; K149-Y158 WeakPolarHBondContact CE-OH 3.35Å; K149-Y158 HydrophobicContact CG-CD1 4.12Å; K149-Y158 HydrophobicContact CG-CE1 3.29Å; K149-Y158 HydrophobicContact CG-CE2 4.39Å; K149-Y158 VanDerWaalsContact CG-CZ 3.4Å; K149-Y158 VanDerWaalsContact CG-OH 3.26Å; K149-Y158 WeakPolarHBondContact CG-OH 3.22Å |
| 150 | A | 73.8 | Confident | 75.2 | Confident | 87 Ų | 87 | 63.2 Ų | 63.2 | 72% | 0.719 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.2 | -26.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D146 H147 G152 | D146-A150 PolarHBondContact O-N 2.7Å; H147-A150 PolarHBondContact O-N 2.62Å; A150-G152 PolarHBondContact O-N 3.43Å |
| 151 | G | 70.4 | Confident | 75.3 | Confident | 52 Ų | 52 | 64.6 Ų | 64.6 | 54% | 0.536 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 2.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | H147 L148 K149 | H147-G151 PolarHBondContact O-N 3.29Å; H147-G151 VanDerWaalsContact O-N 3.13Å; L148-G151 PolarHBondContact O-N 2.89Å; K149-G151 PolarHBondContact O-N 2.95Å |
| 152 | G | 65 | Low | 75.5 | Confident | 72 Ų | 72 | 63.6 Ų | 63.6 | 74% | 0.742 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 9.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | K149 A150 | K149-G152 PolarHBondContact O-N 3.09Å; K149-G152 VanDerWaalsContact O-N 3.1Å; A150-G152 PolarHBondContact O-N 3.43Å |
| 153 | Y | 63.2 | Low | 76 | Confident | 144 Ų | 144 | 63.3 Ų | 63.3 | 57% | 0.565 | 37% | 0.365 | S | S | * | . | trans | -81.8 | 130.8 | 175.8 | -64.8 | -82.6 | 0 | 0 | 0 | 110.6 | V157 | Y153-V157 HydrophobicContact CD1-CG1 4.12Å; Y153-V157 HydrophobicContact CD1-CG2 4.42Å; Y153-V157 HydrophobicContact CG-CG1 4.15Å | ||
| 154 | G | 63.6 | Low | 76.5 | Confident | 44 Ų | 44 | 61.1 Ų | 61.1 | 45% | 0.454 | 35% | 0.352 | S | S | . | . | trans | -62.3 | 163.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S156 V157 | G154-S156 PolarHBondContact O-N 2.83Å; G154-V157 WeakPolarHBondContact O-CB 3.1Å; G154-V157 PolarHBondContact O-N 3.05Å | ||
| 155 | D | 64.3 | Low | 77 | Confident | 116 Ų | 116 | 61.3 Ų | 61.3 | 62% | 0.62 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -55.3 | -28.2 | -175.1 | -164.2 | 15 | 0 | 0 | 0 | 114.2 | V157 Y158 | D155-V157 VanDerWaalsContact C-N 3.27Å; D155-V157 PolarHBondContact O-N 3.44Å; D155-Y158 VanDerWaalsContact CA-CZ 3.46Å; D155-Y158 WeakPolarHBondContact CA-OH 3.44Å; D155-Y158 WeakPolarHBondContact OD1-CE2 3.46Å; D155-Y158 PolarHBondContact OD1-OH 3.31Å |
| 156 | S | 63.7 | Low | 77.6 | Confident | 97 Ų | 97 | 59 Ų | 59 | 68% | 0.678 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -69.6 | -17.6 | 177.2 | 57.5 | 0 | 0 | 0 | 0 | 114.8 | G154 G217 | G154-S156 PolarHBondContact O-N 2.83Å; S156-G217 WeakPolarHBondContact O-CA 3.41Å |
| 157 | V | 65.1 | Low | 77.9 | Confident | 28 Ų | 28 | 57.9 Ų | 57.9 | 17% | 0.17 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -79.8 | -30.4 | -171.6 | 170.9 | 0 | 0 | 0 | 0 | 112.9 | Y153 G154 D155 G217 N218 | Y153-V157 HydrophobicContact CD1-CG1 4.12Å; Y153-V157 HydrophobicContact CD1-CG2 4.42Å; Y153-V157 HydrophobicContact CG-CG1 4.15Å; G154-V157 WeakPolarHBondContact O-CB 3.1Å; G154-V157 PolarHBondContact O-N 3.05Å; D155-V157 VanDerWaalsContact C-N 3.27Å; D155-V157 PolarHBondContact O-N 3.44Å; V157-G217 CarbonylContact O-C 3.26Å; V157-G217 WeakPolarHBondContact O-CA 3.3Å; V157-G217 PolarHBondContact O-N 3.25Å; V157-N218 HydrophobicContact CG1-CB 4.04Å; V157-N218 PolarHBondContact O-N 3.37Å; V157-N218 VanDerWaalsContact O-N 3.13Å |
| 158 | Y | 69.5 | Low | 77.6 | Confident | 25 Ų | 25 | 55.2 Ų | 55.2 | 10% | 0.098 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -109.1 | 6.7 | -175.7 | 51.3 | -100.4 | 0 | 0 | 0 | 113.8 | Q145 L148 K149 D155 I160 | Q145-Y158 HydrophobicContact CG-CD2 3.25Å; Q145-Y158 HydrophobicContact CG-CE2 3.64Å; Q145-Y158 HydrophobicContact CG-CG 3.82Å; L148-Y158 HydrophobicContact CB-CD1 4.43Å; K149-Y158 HydrophobicContact CB-CE1 4.44Å; K149-Y158 HydrophobicContact CD-CE1 4.24Å; K149-Y158 WeakPolarHBondContact CD-OH 3.35Å; K149-Y158 WeakPolarHBondContact CE-OH 3.35Å; K149-Y158 HydrophobicContact CG-CD1 4.12Å; K149-Y158 HydrophobicContact CG-CE1 3.29Å; K149-Y158 HydrophobicContact CG-CE2 4.39Å; K149-Y158 VanDerWaalsContact CG-CZ 3.4Å; K149-Y158 VanDerWaalsContact CG-OH 3.26Å; K149-Y158 WeakPolarHBondContact CG-OH 3.22Å; D155-Y158 VanDerWaalsContact CA-CZ 3.46Å; D155-Y158 WeakPolarHBondContact CA-OH 3.44Å; D155-Y158 WeakPolarHBondContact OD1-CE2 3.46Å; D155-Y158 PolarHBondContact OD1-OH 3.31Å; Y158-I160 PolarHBondContact O-N 3.16Å |
| 159 | R | 81.9 | Confident | 76.3 | Confident | 163 Ų | 163 | 60.7 Ų | 60.7 | 62% | 0.615 | 37% | 0.369 | S | S | * | . | trans | -64.8 | 122 | 173 | -172.3 | 175.8 | -178 | 177 | 3.6 | 109.7 | C161 G217 | R159-C161 PolarHBondContact O-N 3Å; R159-G217 PolarHBondContact O-N 3.01Å; R159-G217 VanDerWaalsContact O-N 3.1Å | ||
| 160 | I | 87.4 | Confident | 75.2 | Confident | 17 Ų | 17 | 61.7 Ų | 61.7 | 9% | 0.087 | 39% | 0.386 | C | S | . | . | trans | -72 | 130.1 | 176.7 | -59.7 | 174.6 | 0 | 0 | 0 | 109.2 | I136 W141 Y158 F181 L190 L214 L216 | I136-I160 HydrophobicContact CD1-CB 4.46Å; I136-I160 HydrophobicContact CD1-CD1 4.05Å; I136-I160 HydrophobicContact CD1-CG2 3.68Å; I136-I160 HydrophobicContact CG2-CD1 4.17Å; W141-I160 HydrophobicContact CD2-CD1 4.28Å; W141-I160 HydrophobicContact CE3-CD1 3.48Å; W141-I160 VanDerWaalsContact CE3-CD1 3.48Å; W141-I160 HydrophobicContact CZ3-CD1 3.62Å; Y158-I160 PolarHBondContact O-N 3.16Å; I160-F181 HydrophobicContact CG2-CD2 4.15Å; I160-F181 HydrophobicContact CG2-CE2 4.09Å; I160-L190 HydrophobicContact CB-CD1 4.39Å; I160-L190 HydrophobicContact CD1-CD1 3.96Å; I160-L214 HydrophobicContact CG2-CD2 4.25Å; I160-L216 HydrophobicContact CG1-CD2 4.37Å | ||
| 161 | C | 89.9 | Confident | 74.3 | Confident | 31 Ų | 31 | 61 Ų | 61 | 21% | 0.209 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 147 | 168.5 | 66.1 | 0 | 0 | 0 | 0 | 109.7 | R159 L214 F215 | R159-C161 PolarHBondContact O-N 3Å; C161-L214 WeakPolarHBondContact O-CA 3.44Å; C161-F215 PolarHBondContact N-O 3.22Å; C161-F215 PolarHBondContact O-N 3.09Å; C161-F215 PolarHBondContact SG-O 3.11Å; C161-F215 VanDerWaalsContact SG-O 3.41Å |
| 162 | G | 92.5 | Very high | 73.4 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 150.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L179 R213 | G162-L179 PolarHBondContact O-N 3.04Å; G162-R213 CarbonylContact C-O 3.54Å; G162-R213 VanDerWaalsContact CA-O 3.31Å; G162-R213 WeakPolarHBondContact CA-O 3.38Å |
| 163 | Y | 93.6 | Very high | 72.7 | Confident | 67 Ų | 67 | 66.3 Ų | 66.3 | 26% | 0.263 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 128.5 | 172.9 | -65.9 | -90.9 | 0 | 0 | 0 | 108.3 | A176 F177 K178 L212 R213 F215 | Y163-A176 HydrophobicContact CD1-CB 4.2Å; Y163-F177 WeakPolarHBondContact CA-O 3.3Å; Y163-K178 HydrophobicContact CD1-CB 4.25Å; Y163-K178 HydrophobicContact CE1-CB 4.07Å; Y163-K178 HydrophobicContact CE1-CD 4.44Å; Y163-K178 HydrophobicContact CE1-CG 4.06Å; Y163-L212 CarbonylContact O-C 3.53Å; Y163-L212 WeakPolarHBondContact O-CA 3.04Å; Y163-R213 PolarHBondContact N-O 2.79Å; Y163-R213 PolarHBondContact O-N 3.02Å; Y163-F215 AromaticContact CD2-CD2 3.84Å; Y163-F215 HydrophobicContact CD2-CD2 3.84Å; Y163-F215 AromaticContact CD2-CE2 3.89Å; Y163-F215 HydrophobicContact CD2-CE2 3.89Å; Y163-F215 HydrophobicContact CE2-CD2 4.12Å; Y163-F215 HydrophobicContact CE2-CE2 4.4Å |
| 164 | M | 94.6 | Very high | 72.2 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129 | 177.9 | -172.2 | 174.6 | -79.4 | 0 | 0 | 110.2 | I111 P132 V134 F177 L179 A194 L197 L210 L211 L212 | I111-M164 HydrophobicContact CG2-CE 4.32Å; P132-M164 HydrophobicContact CB-SD 3.78Å; V134-M164 HydrophobicContact CG2-CE 3.39Å; M164-F177 PolarHBondContact N-O 3.19Å; M164-F177 WeakPolarHBondContact O-CB 3.4Å; M164-F177 PolarHBondContact O-N 3.49Å; M164-L179 HydrophobicContact CB-CD1 4.2Å; M164-L179 HydrophobicContact CB-CG 4.4Å; M164-L179 HydrophobicContact CE-CD1 4.32Å; M164-A194 HydrophobicContact SD-CB 3.88Å; M164-L197 HydrophobicContact CB-CD1 4.45Å; M164-L197 HydrophobicContact CG-CD1 3.84Å; M164-L197 HydrophobicContact SD-CD1 3.7Å; M164-L210 HydrophobicContact CG-CB 4.44Å; M164-L210 HydrophobicContact SD-CB 4.48Å; M164-L210 HydrophobicContact SD-CD1 4.14Å; M164-L211 WeakPolarHBondContact CA-O 3.25Å; M164-L212 HydrophobicContact CE-CB 4.31Å; M164-L212 HydrophobicContact CE-CD1 4.35Å |
| 165 | C | 92.6 | Very high | 72.3 | Confident | 12 Ų | 12 | 66.1 Ų | 66.1 | 8% | 0.081 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 173.7 | 176.4 | 69.8 | 0 | 0 | 0 | 0 | 111.3 | A176 L210 L211 | C165-A176 HydrophobicContact CB-CB 4.3Å; C165-L210 WeakPolarHBondContact O-CA 3.43Å; C165-L211 PolarHBondContact N-O 2.92Å; C165-L211 PolarHBondContact O-N 3Å |
| 166 | L | 92.4 | Very high | 73.1 | Confident | 18 Ų | 18 | 62.1 Ų | 62.1 | 9% | 0.094 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 146.2 | 166.5 | -58.3 | 164.2 | 0 | 0 | 0 | 108.2 | F128 S168 I199 F208 L210 | F128-L166 HydrophobicContact CE2-CD2 4.08Å; F128-L166 HydrophobicContact CZ-CD2 4.01Å; L166-S168 PolarHBondContact O-N 3.21Å; L166-I199 HydrophobicContact CD1-CB 4.38Å; L166-I199 HydrophobicContact CD1-CG1 4.38Å; L166-F208 HydrophobicContact CD2-CD2 3.26Å; L166-F208 HydrophobicContact CD2-CE1 4.48Å; L166-F208 HydrophobicContact CD2-CE2 3.13Å; L166-F208 HydrophobicContact CD2-CG 4.03Å; L166-F208 HydrophobicContact CD2-CZ 3.8Å; L166-L210 HydrophobicContact CD2-CD2 4.24Å |
| 167 | D | 84.8 | Confident | 74.2 | Confident | 48 Ų | 48 | 60.1 Ų | 60.1 | 26% | 0.257 | 34% | 0.341 | S | S | . | . | trans | -72.9 | 58.9 | 175.4 | 65.5 | -15 | 0 | 0 | 0 | 112.7 | R205 F208 C209 Q226 | D167-R205 PolarHBondContact O-NH1 2.84Å; D167-R205 IonicContact OD1-CZ 3.7Å; D167-R205 IonicContact OD1-NH1 3.14Å; D167-R205 PolarHBondContact OD1-NH1 3.03Å; D167-F208 WeakPolarHBondContact OD1-CB 3.2Å; D167-C209 WeakPolarHBondContact CB-O 3.42Å; D167-C209 VanDerWaalsContact CG-O 3.24Å; D167-C209 PolarHBondContact N-O 2.91Å; D167-C209 PolarHBondContact OD1-N 3.34Å; D167-C209 VanDerWaalsContact OD1-O 3.1Å; D167-C209 VanDerWaalsContact OD2-CB 3.31Å; D167-C209 WeakPolarHBondContact OD2-CB 3.36Å; D167-C209 PolarHBondContact OD2-N 2.93Å; D167-Q226 PolarHBondContact OD2-NE2 3.26Å | ||
| 168 | S | 71.4 | Confident | 75.5 | Confident | 34 Ų | 34 | 64.2 Ų | 64.2 | 24% | 0.238 | 36% | 0.357 | C | S | . | . | trans | -91.2 | 145.2 | 175.5 | 75.4 | 0 | 0 | 0 | 0 | 111.7 | L166 S170 Q171 | L166-S168 PolarHBondContact O-N 3.21Å; S168-S170 PolarHBondContact O-N 3.34Å; S168-Q171 WeakPolarHBondContact OG-CG 3.41Å; S168-Q171 PolarHBondContact OG-OE1 3.08Å | ||
| 169 | S | 48.5 | Very low | 76.5 | Confident | 137 Ų | 137 | 63.1 Ų | 63.1 | 96% | 0.958 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -6.1 | -179.3 | 49.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 170 | S | 51.4 | Low | 76.9 | Confident | 104 Ų | 104 | 60.7 Ų | 60.7 | 73% | 0.727 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.8 | 22.4 | -168.3 | 61.8 | 0 | 0 | 0 | 0 | 115.3 | S168 | S168-S170 PolarHBondContact O-N 3.34Š|
| 171 | Q | 54.6 | Low | 77 | Confident | 71 Ų | 71 | 60.6 Ų | 60.6 | 33% | 0.332 | 35% | 0.35 | S | S | . | . | trans | -101.5 | 120.2 | -175.1 | -87.8 | 176 | -19.7 | 0 | 0 | 114.9 | S168 D175 | S168-Q171 WeakPolarHBondContact OG-CG 3.41Å; S168-Q171 PolarHBondContact OG-OE1 3.08Å; Q171-D175 HydrophobicContact CB-CB 4.43Å; Q171-D175 HydrophobicContact CG-CB 3.88Å; Q171-D175 VanDerWaalsContact CG-OD2 3.31Å; Q171-D175 WeakPolarHBondContact CG-OD2 3.41Å; Q171-D175 PolarHBondContact NE2-OD2 2.87Å | ||
| 172 | S | 50.7 | Low | 77 | Confident | 83 Ų | 83 | 62.5 Ų | 62.5 | 58% | 0.58 | 36% | 0.359 | S | S | * | . | trans | -63.9 | 158.1 | 160.3 | 56.2 | 0 | 0 | 0 | 0 | 110.3 | A174 D175 | S172-A174 PolarHBondContact O-N 2.99Å; S172-D175 PolarHBondContact O-N 2.76Å | ||
| 173 | Q | 52.1 | Low | 76.7 | Confident | 154 Ų | 154 | 69 Ų | 69 | 72% | 0.72 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -56.4 | -10.7 | 179.5 | -69.9 | -153.9 | 8.9 | 0 | 0 | 114.8 | D175 A176 | Q173-D175 VanDerWaalsContact C-N 3.3Å; Q173-D175 PolarHBondContact O-N 3.02Å; Q173-A176 PolarHBondContact O-N 3.16Å |
| 174 | A | 52.2 | Low | 76.2 | Confident | 86 Ų | 86 | 67.2 Ų | 67.2 | 71% | 0.711 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -66.9 | -25.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S172 | S172-A174 PolarHBondContact O-N 2.99Š|
| 175 | D | 65.8 | Low | 74.9 | Confident | 97 Ų | 97 | 72.6 Ų | 72.6 | 52% | 0.519 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -93.8 | 2.1 | -177.7 | -77 | -11.2 | 0 | 0 | 0 | 113.7 | Q171 S172 Q173 | Q171-D175 HydrophobicContact CB-CB 4.43Å; Q171-D175 HydrophobicContact CG-CB 3.88Å; Q171-D175 VanDerWaalsContact CG-OD2 3.31Å; Q171-D175 WeakPolarHBondContact CG-OD2 3.41Å; Q171-D175 PolarHBondContact NE2-OD2 2.87Å; S172-D175 PolarHBondContact O-N 2.76Å; Q173-D175 VanDerWaalsContact C-N 3.3Å; Q173-D175 PolarHBondContact O-N 3.02Å |
| 176 | A | 79.5 | Confident | 73.6 | Confident | 32 Ų | 32 | 77 Ų | 77 | 26% | 0.264 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 128.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y163 C165 Q173 K178 | Y163-A176 HydrophobicContact CD1-CB 4.2Å; C165-A176 HydrophobicContact CB-CB 4.3Å; Q173-A176 PolarHBondContact O-N 3.16Å; A176-K178 PolarHBondContact O-N 2.91Å |
| 177 | F | 87.3 | Confident | 72.3 | Confident | 56 Ų | 56 | 79.2 Ų | 79.2 | 25% | 0.246 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 117.6 | 174.4 | -175 | -95.2 | 0 | 0 | 0 | 110.2 | Y163 M164 L179 A194 S196 L197 | Y163-F177 WeakPolarHBondContact CA-O 3.3Å; M164-F177 PolarHBondContact N-O 3.19Å; M164-F177 WeakPolarHBondContact O-CB 3.4Å; M164-F177 PolarHBondContact O-N 3.49Å; F177-L179 HydrophobicContact CD1-CD2 3.97Å; F177-L179 HydrophobicContact CE1-CD2 4.08Å; F177-L179 PolarHBondContact O-N 3.31Å; F177-A194 HydrophobicContact CD1-CB 3.74Å; F177-A194 HydrophobicContact CE1-CB 4.12Å; F177-A194 HydrophobicContact CG-CB 4.46Å; F177-S196 WeakPolarHBondContact CD2-OG 3.37Å; F177-S196 WeakPolarHBondContact CE2-OG 3.21Å; F177-L197 HydrophobicContact CB-CD2 3.73Å; F177-L197 HydrophobicContact CB-CG 4.27Å |
| 178 | K | 92.1 | Very high | 71.9 | Confident | 113 Ų | 113 | 85.1 Ų | 85.1 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 123 | 176 | -172.7 | 178.3 | -178.8 | 179.9 | 0 | 110.4 | Y163 A176 | Y163-K178 HydrophobicContact CD1-CB 4.25Å; Y163-K178 HydrophobicContact CE1-CB 4.07Å; Y163-K178 HydrophobicContact CE1-CD 4.44Å; Y163-K178 HydrophobicContact CE1-CG 4.06Å; A176-K178 PolarHBondContact O-N 2.91Å |
| 179 | L | 92.3 | Very high | 72.7 | Confident | 3 Ų | 3 | 84.8 Ų | 84.8 | 2% | 0.016 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 129.8 | 172.7 | -66.6 | 175.1 | 0 | 0 | 0 | 110.1 | V134 G162 M164 F177 F181 A192 A194 L212 | V134-L179 HydrophobicContact CB-CD1 4.35Å; V134-L179 HydrophobicContact CG2-CD1 3.72Å; G162-L179 PolarHBondContact O-N 3.04Å; M164-L179 HydrophobicContact CB-CD1 4.2Å; M164-L179 HydrophobicContact CB-CG 4.4Å; M164-L179 HydrophobicContact CE-CD1 4.32Å; F177-L179 HydrophobicContact CD1-CD2 3.97Å; F177-L179 HydrophobicContact CE1-CD2 4.08Å; F177-L179 PolarHBondContact O-N 3.31Å; L179-F181 HydrophobicContact CB-CE2 4.08Å; L179-F181 HydrophobicContact CB-CZ 4.32Å; L179-F181 HydrophobicContact CD1-CZ 4.2Å; L179-A192 HydrophobicContact CB-CB 3.84Å; L179-A192 HydrophobicContact CD1-CB 4.49Å; L179-A192 HydrophobicContact CD2-CB 4.02Å; L179-A192 HydrophobicContact CG-CB 4.34Å; L179-A194 HydrophobicContact CD2-CB 4.04Å; L179-L212 HydrophobicContact CD1-CD1 3.51Å |
| 180 | L | 89.1 | Confident | 74.7 | Confident | 112 Ų | 112 | 80.2 Ų | 80.2 | 59% | 0.586 | 44% | 0.435 | S | S | * | . | trans | -102.2 | 114.3 | 169.8 | -60.8 | 177.5 | 0 | 0 | 0 | 107.5 | A192 | L180-A192 VanDerWaalsContact O-CB 3.28Å; L180-A192 WeakPolarHBondContact O-CB 3.45Å | ||
| 181 | F | 90.7 | Very high | 76.7 | Confident | 14 Ų | 14 | 75.4 Ų | 75.4 | 6% | 0.061 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -86 | 120 | 179.3 | -74.9 | -76.3 | 0 | 0 | 0 | 110.2 | V134 I136 I160 L179 L190 F191 A192 L214 | V134-F181 HydrophobicContact CB-CE1 4.05Å; V134-F181 HydrophobicContact CB-CZ 4.3Å; V134-F181 HydrophobicContact CG1-CE1 3.84Å; V134-F181 HydrophobicContact CG1-CZ 3.97Å; I136-F181 HydrophobicContact CD1-CD1 3.97Å; I136-F181 HydrophobicContact CD1-CE1 3.54Å; I136-F181 HydrophobicContact CD1-CE2 4.16Å; I136-F181 HydrophobicContact CD1-CG 4.46Å; I136-F181 HydrophobicContact CD1-CZ 3.66Å; I136-F181 HydrophobicContact CG1-CD1 4.36Å; I136-F181 HydrophobicContact CG1-CE1 3.84Å; I136-F181 HydrophobicContact CG1-CZ 4.31Å; I160-F181 HydrophobicContact CG2-CD2 4.15Å; I160-F181 HydrophobicContact CG2-CE2 4.09Å; L179-F181 HydrophobicContact CB-CE2 4.08Å; L179-F181 HydrophobicContact CB-CZ 4.32Å; L179-F181 HydrophobicContact CD1-CZ 4.2Å; F181-L190 HydrophobicContact CB-CB 4.13Å; F181-L190 HydrophobicContact CB-CD1 4.39Å; F181-L190 HydrophobicContact CD1-CB 3.92Å; F181-L190 HydrophobicContact CG-CB 4.37Å; F181-F191 WeakPolarHBondContact CA-O 3.47Å; F181-A192 HydrophobicContact CD1-CB 3.6Å; F181-A192 HydrophobicContact CE1-CB 3.63Å; F181-A192 HydrophobicContact CG-CB 4.08Å; F181-A192 HydrophobicContact CZ-CB 4.14Å; F181-L214 HydrophobicContact CE2-CD2 3.9Å; F181-L214 HydrophobicContact CZ-CD2 3.82Å |
| 182 | D | 89.1 | Confident | 78.6 | Confident | 72 Ų | 72 | 72.1 Ų | 72.1 | 39% | 0.385 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 131.3 | 173.7 | -64.2 | -27.8 | 0 | 0 | 0 | 109.1 | Q184 F191 R284 | D182-Q184 PolarHBondContact O-N 2.89Å; D182-Q184 PolarHBondContact O-NE2 3.33Å; D182-F191 PolarHBondContact N-O 2.94Å; D182-F191 PolarHBondContact O-N 2.8Å; D182-R284 IonicContact OD2-NH2 2.96Å; D182-R284 PolarHBondContact OD2-NH2 3.13Å |
| 183 | E | 86.1 | Confident | 80.7 | Confident | 137 Ų | 137 | 69.3 Ų | 69.3 | 64% | 0.64 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 129.6 | 173.1 | -169.2 | 171 | -172.9 | 0 | 0 | 110.3 | L190 | E183-L190 HydrophobicContact CB-CD2 3.95Å; E183-L190 HydrophobicContact CG-CD2 4.28Å |
| 184 | Q | 82.4 | Confident | 82.7 | Confident | 28 Ų | 28 | 62 Ų | 62 | 13% | 0.131 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 128.7 | 179.6 | -65.6 | -52.6 | -70.8 | 0 | 0 | 110.2 | D182 N186 S187 Q189 F191 | D182-Q184 PolarHBondContact O-N 2.89Å; D182-Q184 PolarHBondContact O-NE2 3.33Å; Q184-N186 PolarHBondContact O-N 2.78Å; Q184-S187 VanDerWaalsContact CB-OG 3.23Å; Q184-S187 WeakPolarHBondContact CB-OG 3.38Å; Q184-Q189 WeakPolarHBondContact CB-O 3.33Å; Q184-Q189 WeakPolarHBondContact CG-O 3.36Å; Q184-Q189 PolarHBondContact N-O 2.95Å; Q184-F191 HydrophobicContact CG-CB 3.94Å |
| 185 | P | 68.6 | Low | 84.6 | Confident | 114 Ų | 114 | 62.8 Ų | 62.8 | 74% | 0.74 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -21.6 | -170.5 | -27 | 32.1 | 0 | 0 | 0 | 116.2 | ||
| 186 | N | 64.4 | Low | 85.8 | Confident | 103 Ų | 103 | 60.4 Ų | 60.4 | 55% | 0.551 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.4 | -14.6 | -170.2 | -48.3 | -58.2 | 0 | 0 | 0 | 115.2 | Q184 R276 | Q184-N186 PolarHBondContact O-N 2.78Å; N186-R276 PolarHBondContact ND2-NH2 3.47Å; N186-R276 PolarHBondContact OD1-NH2 2.82Å |
| 187 | S | 65.6 | Low | 86.5 | Confident | 65 Ų | 65 | 59.5 Ų | 59.5 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -3.5 | -175 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | Q184 Q189 | Q184-S187 VanDerWaalsContact CB-OG 3.23Å; Q184-S187 WeakPolarHBondContact CB-OG 3.38Å; S187-Q189 PolarHBondContact O-N 3.41Å; S187-Q189 WeakPolarHBondContact OG-CB 3.45Å |
| 188 | R | 75.9 | Confident | 86.9 | Confident | 173 Ų | 173 | 59.9 Ų | 59.9 | 65% | 0.653 | 30% | 0.303 | S | S | * | . | trans | 47.4 | 29.6 | -172.3 | -58.5 | -173.9 | -177.4 | 167.7 | -2.2 | 112.4 | R142 | R142-R188 VanDerWaalsContact NH1-NH1 3.17Š| ||
| 189 | Q | 87.4 | Confident | 86.9 | Confident | 26 Ų | 26 | 54.6 Ų | 54.6 | 12% | 0.121 | 28% | 0.28 | C | S | . | . | trans | -104.8 | 143.5 | 179.5 | -177.2 | -180 | 45.6 | 0 | 0 | 107.6 | Y135 I136 Q184 S187 | Y135-Q189 HydrophobicContact CD1-CG 4.11Å; I136-Q189 WeakPolarHBondContact O-CA 3.48Å; I136-Q189 VanDerWaalsContact O-CG 3.27Å; I136-Q189 WeakPolarHBondContact O-CG 3.49Å; Q184-Q189 WeakPolarHBondContact CB-O 3.33Å; Q184-Q189 WeakPolarHBondContact CG-O 3.36Å; Q184-Q189 PolarHBondContact N-O 2.95Å; S187-Q189 PolarHBondContact O-N 3.41Å; S187-Q189 WeakPolarHBondContact OG-CB 3.45Å | ||
| 190 | L | 91.3 | Very high | 87 | Confident | 41 Ų | 41 | 55.9 Ų | 55.9 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 139.6 | 170.9 | -52.6 | 175.3 | 0 | 0 | 0 | 109.5 | Y135 I136 I160 F181 E183 | Y135-L190 CarbonylContact C-O 3.57Å; Y135-L190 WeakPolarHBondContact CA-O 3.26Å; I136-L190 HydrophobicContact CB-CB 4.09Å; I136-L190 HydrophobicContact CB-CD1 4.45Å; I136-L190 HydrophobicContact CD1-CD1 4.45Å; I136-L190 PolarHBondContact N-O 3.32Å; I136-L190 PolarHBondContact O-N 2.89Å; I160-L190 HydrophobicContact CB-CD1 4.39Å; I160-L190 HydrophobicContact CD1-CD1 3.96Å; F181-L190 HydrophobicContact CB-CB 4.13Å; F181-L190 HydrophobicContact CB-CD1 4.39Å; F181-L190 HydrophobicContact CD1-CB 3.92Å; F181-L190 HydrophobicContact CG-CB 4.37Å; E183-L190 HydrophobicContact CB-CD2 3.95Å; E183-L190 HydrophobicContact CG-CD2 4.28Å |
| 191 | F | 93.8 | Very high | 87.1 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 137.4 | 178.5 | 169.1 | -103.7 | 0 | 0 | 0 | 110.6 | C133 V134 Y135 F181 D182 Q184 C193 Q285 | C133-F191 HydrophobicContact CB-CD2 4.46Å; C133-F191 HydrophobicContact CB-CE2 3.61Å; C133-F191 HydrophobicContact CB-CZ 4.22Å; V134-F191 WeakPolarHBondContact O-CA 3.49Å; Y135-F191 HydrophobicContact CD1-CB 4.27Å; Y135-F191 AromaticContact CD1-CD2 3.82Å; Y135-F191 HydrophobicContact CD1-CD2 3.82Å; Y135-F191 HydrophobicContact CE1-CB 4.26Å; Y135-F191 AromaticContact CE1-CD2 3.32Å; Y135-F191 HydrophobicContact CE1-CD2 3.32Å; Y135-F191 AromaticContact CE1-CE2 4Å; Y135-F191 HydrophobicContact CE1-CE2 4Å; Y135-F191 HydrophobicContact CE1-CG 4.14Å; Y135-F191 HydrophobicContact CE2-CD2 4.1Å; Y135-F191 HydrophobicContact CE2-CE2 4.19Å; Y135-F191 HydrophobicContact CG-CD2 4.41Å; Y135-F191 AromaticContact CZ-CD2 3.48Å; Y135-F191 VanDerWaalsContact CZ-CD2 3.48Å; Y135-F191 AromaticContact CZ-CE2 3.67Å; F181-F191 WeakPolarHBondContact CA-O 3.47Å; D182-F191 PolarHBondContact N-O 2.94Å; D182-F191 PolarHBondContact O-N 2.8Å; Q184-F191 HydrophobicContact CG-CB 3.94Å; F191-C193 HydrophobicContact CE1-CB 4.47Å; F191-C193 HydrophobicContact CZ-CB 4.01Å; F191-Q285 HydrophobicContact CD1-CG 4.34Å; F191-Q285 HydrophobicContact CE1-CG 3.73Å; F191-Q285 HydrophobicContact CE2-CG 3.93Å; F191-Q285 HydrophobicContact CZ-CG 3.49Å; F191-Q285 VanDerWaalsContact CZ-CG 3.49Å |
| 192 | A | 94.9 | Very high | 87.1 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 155.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | C133 V134 L179 L180 F181 | C133-A192 CarbonylContact C-O 3.48Å; C133-A192 VanDerWaalsContact CA-O 3.26Å; C133-A192 WeakPolarHBondContact CA-O 3.37Å; C133-A192 WeakPolarHBondContact CB-O 3.43Å; V134-A192 PolarHBondContact N-O 2.88Å; V134-A192 PolarHBondContact O-N 2.79Å; L179-A192 HydrophobicContact CB-CB 3.84Å; L179-A192 HydrophobicContact CD1-CB 4.49Å; L179-A192 HydrophobicContact CD2-CB 4.02Å; L179-A192 HydrophobicContact CG-CB 4.34Å; L180-A192 VanDerWaalsContact O-CB 3.28Å; L180-A192 WeakPolarHBondContact O-CB 3.45Å; F181-A192 HydrophobicContact CD1-CB 3.6Å; F181-A192 HydrophobicContact CE1-CB 3.63Å; F181-A192 HydrophobicContact CG-CB 4.08Å; F181-A192 HydrophobicContact CZ-CB 4.14Å |
| 193 | C | 94.1 | Very high | 87.2 | Confident | 23 Ų | 23 | 57.9 Ų | 57.9 | 16% | 0.155 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 144.1 | 175.5 | 61.3 | 0 | 0 | 0 | 0 | 112.3 | P132 C133 F191 K195 | P132-C193 CarbonylContact O-C 3.45Å; P132-C193 WeakPolarHBondContact O-CA 3.38Å; C133-C193 HydrophobicContact CB-CB 4.05Å; F191-C193 HydrophobicContact CE1-CB 4.47Å; F191-C193 HydrophobicContact CZ-CB 4.01Å; C193-K195 PolarHBondContact O-N 2.92Å; C193-K195 WeakPolarHBondContact SG-CE 3.4Å |
| 194 | A | 94 | Very high | 87.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -98.9 | 78.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P132 M164 F177 L179 S196 L197 | P132-A194 HydrophobicContact CB-CB 4.46Å; P132-A194 PolarHBondContact O-N 2.69Å; M164-A194 HydrophobicContact SD-CB 3.88Å; F177-A194 HydrophobicContact CD1-CB 3.74Å; F177-A194 HydrophobicContact CE1-CB 4.12Å; F177-A194 HydrophobicContact CG-CB 4.46Å; L179-A194 HydrophobicContact CD2-CB 4.04Å; A194-S196 VanDerWaalsContact C-N 3.33Å; A194-S196 PolarHBondContact O-N 3.07Å; A194-L197 HydrophobicContact CB-CD1 3.4Å; A194-L197 VanDerWaalsContact CB-CD1 3.4Å; A194-L197 HydrophobicContact CB-CG 3.78Å | ||
| 195 | K | 91.9 | Very high | 88 | Confident | 104 Ų | 104 | 61 Ų | 61 | 45% | 0.452 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -17.9 | -170.9 | -61.5 | -171.4 | -176.4 | -173.9 | 0 | 115.2 | F127 P131 C193 | F127-K195 WeakPolarHBondContact CB-O 3.4Å; P131-K195 HydrophobicContact CB-CG 4.25Å; P131-K195 HydrophobicContact CG-CG 4.45Å; C193-K195 PolarHBondContact O-N 2.92Å; C193-K195 WeakPolarHBondContact SG-CE 3.4Å |
| 196 | S | 91.6 | Very high | 89.2 | Confident | 47 Ų | 47 | 63.7 Ų | 63.7 | 33% | 0.329 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 16.4 | -174.7 | 75.7 | 0 | 0 | 0 | 0 | 114.3 | F127 F177 A194 | F127-S196 WeakPolarHBondContact CD1-O 3.42Å; F127-S196 WeakPolarHBondContact CE1-O 3.12Å; F177-S196 WeakPolarHBondContact CD2-OG 3.37Å; F177-S196 WeakPolarHBondContact CE2-OG 3.21Å; A194-S196 VanDerWaalsContact C-N 3.33Å; A194-S196 PolarHBondContact O-N 3.07Å |
| 197 | L | 94.1 | Very high | 90.7 | Very high | 12 Ų | 12 | 62.3 Ų | 62.3 | 6% | 0.063 | 30% | 0.295 | C | S | . | . | trans | -73.3 | 135.2 | 173 | -71 | 178.1 | 0 | 0 | 0 | 110.6 | F127 F128 P132 M164 F177 A194 L210 | F127-L197 CarbonylContact C-O 3.58Å; F127-L197 VanDerWaalsContact CA-O 3.26Å; F127-L197 WeakPolarHBondContact CA-O 3.31Å; F128-L197 HydrophobicContact CD2-CB 3.66Å; F128-L197 HydrophobicContact CE2-CB 3.85Å; F128-L197 HydrophobicContact CG-CB 4.41Å; F128-L197 PolarHBondContact N-O 3.06Å; P132-L197 HydrophobicContact CG-CD1 4.27Å; M164-L197 HydrophobicContact CB-CD1 4.45Å; M164-L197 HydrophobicContact CG-CD1 3.84Å; M164-L197 HydrophobicContact SD-CD1 3.7Å; F177-L197 HydrophobicContact CB-CD2 3.73Å; F177-L197 HydrophobicContact CB-CG 4.27Å; A194-L197 HydrophobicContact CB-CD1 3.4Å; A194-L197 VanDerWaalsContact CB-CD1 3.4Å; A194-L197 HydrophobicContact CB-CG 3.78Å; L197-L210 HydrophobicContact CD1-CD2 4.19Å | ||
| 198 | F | 94.6 | Very high | 92.1 | Very high | 65 Ų | 65 | 59.3 Ų | 59.3 | 29% | 0.285 | 27% | 0.274 | S | S | . | . | trans | -148.7 | 161.3 | 176.3 | 70.1 | -80.8 | 0 | 0 | 0 | 109.7 | K125 R126 F127 | K125-F198 HydrophobicContact CB-CG 4.45Å; K125-F198 HydrophobicContact CD-CD1 4.27Å; K125-F198 HydrophobicContact CD-CE1 3.85Å; K125-F198 HydrophobicContact CD-CZ 4.06Å; K125-F198 HydrophobicContact CG-CD1 4.33Å; K125-F198 HydrophobicContact CG-CD2 4.37Å; K125-F198 HydrophobicContact CG-CE1 4.17Å; K125-F198 HydrophobicContact CG-CE2 4.19Å; K125-F198 HydrophobicContact CG-CG 4.45Å; K125-F198 HydrophobicContact CG-CZ 4.1Å; R126-F198 WeakPolarHBondContact O-CB 3.26Å; F127-F198 HydrophobicContact CD1-CB 4.25Å; F127-F198 HydrophobicContact CD1-CD1 4.35Å; F127-F198 HydrophobicContact CE1-CD1 4.17Å | ||
| 199 | I | 94.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | trans | -116.2 | 127.5 | 172 | -170.8 | 171.5 | 0 | 0 | 0 | 110 | S120 F128 L166 D203 F208 V232 | S120-I199 VanDerWaalsContact CB-O 3.27Å; S120-I199 WeakPolarHBondContact CB-O 3.29Å; S120-I199 PolarHBondContact N-O 2.73Å; S120-I199 PolarHBondContact OG-O 2.91Å; F128-I199 HydrophobicContact CE1-CB 4.3Å; F128-I199 HydrophobicContact CE1-CG2 4.06Å; F128-I199 HydrophobicContact CZ-CB 4.22Å; F128-I199 HydrophobicContact CZ-CG2 4.4Å; L166-I199 HydrophobicContact CD1-CB 4.38Å; L166-I199 HydrophobicContact CD1-CG1 4.38Å; I199-D203 HydrophobicContact CD1-CB 4.02Å; I199-D203 HydrophobicContact CG1-CB 3.78Å; I199-F208 HydrophobicContact CD1-CD1 3.71Å; I199-F208 HydrophobicContact CD1-CE1 3.9Å; I199-F208 HydrophobicContact CD1-CG 4.48Å; I199-V232 HydrophobicContact CD1-CG1 4.47Å; I199-V232 HydrophobicContact CD1-CG2 3.66Å; I199-V232 HydrophobicContact CG2-CG1 4.39Å | ||
| 200 | S | 92.9 | Very high | 93.5 | Very high | 31 Ų | 31 | 50.5 Ų | 50.5 | 22% | 0.217 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -77.8 | 157.9 | 179.4 | 175.3 | 0 | 0 | 0 | 0 | 112 | S120 Q202 D203 | S120-S200 CarbonylContact O-C 3.53Å; S200-Q202 PolarHBondContact O-N 2.92Å; S200-Q202 PolarHBondContact OG-N 3.07Å; S200-D203 WeakPolarHBondContact O-CB 3.23Å; S200-D203 PolarHBondContact O-N 2.74Å; S200-D203 VanDerWaalsContact O-N 3.13Å |
| 201 | D | 91.9 | Very high | 93.7 | Very high | 43 Ų | 43 | 50.3 Ų | 50.3 | 23% | 0.23 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -13.5 | 172.2 | 63.5 | -27.8 | 0 | 0 | 0 | 114.1 | K119 S120 Y121 G122 D203 K204 | K119-D201 HydrophobicContact CD-CB 3.79Å; K119-D201 HydrophobicContact CG-CB 3.95Å; S120-D201 WeakPolarHBondContact O-CB 3.37Å; S120-D201 PolarHBondContact O-N 3.36Å; Y121-D201 HydrophobicContact CD1-CB 3.76Å; Y121-D201 HydrophobicContact CE1-CB 4.12Å; Y121-D201 HydrophobicContact CG-CB 4.39Å; G122-D201 PolarHBondContact N-OD1 2.95Å; G122-D201 PolarHBondContact N-OD2 2.83Å; D201-D203 VanDerWaalsContact C-N 3.26Å; D201-K204 PolarHBondContact O-NZ 2.91Å |
| 202 | Q | 91.2 | Very high | 93.8 | Very high | 163 Ų | 163 | 50.1 Ų | 50.1 | 76% | 0.762 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -33.1 | 165 | -63.1 | -177 | 4.9 | 0 | 0 | 111.6 | S200 K204 | S200-Q202 PolarHBondContact O-N 2.92Å; S200-Q202 PolarHBondContact OG-N 3.07Å; Q202-K204 PolarHBondContact O-N 3.11Å |
| 203 | D | 90.6 | Very high | 93.7 | Very high | 33 Ų | 33 | 54.3 Ų | 54.3 | 18% | 0.176 | 26% | 0.255 | C | S | . | . | trans | -73.8 | 115.7 | 173.3 | -163.9 | -31 | 0 | 0 | 0 | 110 | K119 I199 S200 D201 R205 | K119-D203 PolarHBondContact NZ-O 2.85Å; I199-D203 HydrophobicContact CD1-CB 4.02Å; I199-D203 HydrophobicContact CG1-CB 3.78Å; S200-D203 WeakPolarHBondContact O-CB 3.23Å; S200-D203 PolarHBondContact O-N 2.74Å; S200-D203 VanDerWaalsContact O-N 3.13Å; D201-D203 VanDerWaalsContact C-N 3.26Å; D203-R205 VanDerWaalsContact OD1-CB 3.26Å; D203-R205 WeakPolarHBondContact OD1-CB 3.41Å; D203-R205 VanDerWaalsContact OD1-CG 3.25Å; D203-R205 WeakPolarHBondContact OD1-CG 3.4Å; D203-R205 PolarHBondContact OD1-N 2.77Å; D203-R205 IonicContact OD1-NE 3.64Å; D203-R205 PolarHBondContact OD1-NE 2.9Å; D203-R205 IonicContact OD2-CZ 2.85Å; D203-R205 VanDerWaalsContact OD2-CZ 3.29Å; D203-R205 IonicContact OD2-NE 2.73Å; D203-R205 PolarHBondContact OD2-NE 2.77Å; D203-R205 IonicContact OD2-NH2 2.85Å; D203-R205 PolarHBondContact OD2-NH2 3Å | ||
| 204 | K | 91.8 | Very high | 93.7 | Very high | 164 Ų | 164 | 53.2 Ų | 53.2 | 71% | 0.713 | 25% | 0.248 | S | C | * | . | trans | -93.1 | -2.7 | -177.1 | -56.2 | -52.6 | -179.1 | -167.7 | 0 | 113.3 | D201 Q202 | D201-K204 PolarHBondContact O-NZ 2.91Å; Q202-K204 PolarHBondContact O-N 3.11Å | ||
| 205 | R | 92.9 | Very high | 93.5 | Very high | 68 Ų | 68 | 55 Ų | 55 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | trans | -63.7 | 140.7 | 179.4 | -62.6 | 178.5 | -66.8 | 157.8 | 0.9 | 110.2 | D167 D203 H207 | D167-R205 PolarHBondContact O-NH1 2.84Å; D167-R205 IonicContact OD1-CZ 3.7Å; D167-R205 IonicContact OD1-NH1 3.14Å; D167-R205 PolarHBondContact OD1-NH1 3.03Å; D203-R205 VanDerWaalsContact OD1-CB 3.26Å; D203-R205 WeakPolarHBondContact OD1-CB 3.41Å; D203-R205 VanDerWaalsContact OD1-CG 3.25Å; D203-R205 WeakPolarHBondContact OD1-CG 3.4Å; D203-R205 PolarHBondContact OD1-N 2.77Å; D203-R205 IonicContact OD1-NE 3.64Å; D203-R205 PolarHBondContact OD1-NE 2.9Å; D203-R205 IonicContact OD2-CZ 2.85Å; D203-R205 VanDerWaalsContact OD2-CZ 3.29Å; D203-R205 IonicContact OD2-NE 2.73Å; D203-R205 PolarHBondContact OD2-NE 2.77Å; D203-R205 IonicContact OD2-NH2 2.85Å; D203-R205 PolarHBondContact OD2-NH2 3Å; R205-H207 WeakPolarHBondContact CB-O 3.27Å | ||
| 206 | K | 94.6 | Very high | 93.3 | Very high | 169 Ų | 169 | 50.2 Ų | 50.2 | 74% | 0.735 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -79.2 | -30.7 | 173.8 | -67.8 | -177.2 | -179.9 | 176.7 | 0 | 111.3 | V232 | K206-V232 WeakPolarHBondContact O-CB 3.33Å; K206-V232 WeakPolarHBondContact O-CG2 3.47Å; K206-V232 PolarHBondContact O-N 2.63Å |
| 207 | H | 95.4 | Very high | 92.8 | Very high | 74 Ų | 74 | 49.7 Ų | 49.7 | 34% | 0.343 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 151.9 | -177.7 | -55.5 | -29.9 | 0 | 0 | 0 | 109.8 | R205 M229 I230 | R205-H207 WeakPolarHBondContact CB-O 3.27Å; H207-M229 HydrophobicContact CB-CG 3.55Å; H207-M229 HydrophobicContact CB-SD 3.56Å; H207-M229 VanDerWaalsContact CB-SD 3.56Å; H207-M229 PolarHBondContact CD2-SD 3.04Å; H207-I230 VanDerWaalsContact CA-O 3.25Å; H207-I230 WeakPolarHBondContact CA-O 3.31Å |
| 208 | F | 95.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 1% | 0.013 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 164.6 | 175.2 | 68.2 | -90.5 | 0 | 0 | 0 | 109.3 | A117 F128 L166 D167 I199 L210 I230 V232 | A117-F208 HydrophobicContact CB-CE1 3.87Å; A117-F208 HydrophobicContact CB-CZ 3.8Å; F128-F208 HydrophobicContact CE1-CZ 4.29Å; F128-F208 HydrophobicContact CE2-CE2 4.06Å; F128-F208 AromaticContact CE2-CZ 3.87Å; F128-F208 HydrophobicContact CE2-CZ 3.87Å; F128-F208 HydrophobicContact CZ-CE1 4.39Å; F128-F208 HydrophobicContact CZ-CE2 4.08Å; F128-F208 AromaticContact CZ-CZ 3.52Å; F128-F208 HydrophobicContact CZ-CZ 3.52Å; L166-F208 HydrophobicContact CD2-CD2 3.26Å; L166-F208 HydrophobicContact CD2-CE1 4.48Å; L166-F208 HydrophobicContact CD2-CE2 3.13Å; L166-F208 HydrophobicContact CD2-CG 4.03Å; L166-F208 HydrophobicContact CD2-CZ 3.8Å; D167-F208 WeakPolarHBondContact OD1-CB 3.2Å; I199-F208 HydrophobicContact CD1-CD1 3.71Å; I199-F208 HydrophobicContact CD1-CE1 3.9Å; I199-F208 HydrophobicContact CD1-CG 4.48Å; F208-L210 HydrophobicContact CE2-CD2 3.95Å; F208-I230 HydrophobicContact CD1-CB 4.42Å; F208-I230 HydrophobicContact CD2-CB 4.36Å; F208-I230 HydrophobicContact CE1-CB 4.03Å; F208-I230 HydrophobicContact CE1-CG2 3.85Å; F208-I230 HydrophobicContact CE2-CB 3.96Å; F208-I230 HydrophobicContact CE2-CD1 3.78Å; F208-I230 HydrophobicContact CE2-CG1 4.31Å; F208-I230 HydrophobicContact CE2-CG2 4.25Å; F208-I230 HydrophobicContact CZ-CB 3.79Å; F208-I230 HydrophobicContact CZ-CD1 4.1Å; F208-I230 HydrophobicContact CZ-CG2 3.61Å; F208-I230 PolarHBondContact N-O 3.29Å; F208-I230 PolarHBondContact O-N 3.24Å; F208-V232 HydrophobicContact CD1-CG2 3.57Å; F208-V232 HydrophobicContact CE1-CG2 3.78Å |
| 209 | C | 95.7 | Very high | 91.6 | Very high | 14 Ų | 14 | 59.7 Ų | 59.7 | 10% | 0.095 | 28% | 0.277 | C | S | . | . | trans | -115.5 | 158.1 | 167.3 | -59.5 | 0 | 0 | 0 | 0 | 110.4 | D167 Q226 | D167-C209 WeakPolarHBondContact CB-O 3.42Å; D167-C209 VanDerWaalsContact CG-O 3.24Å; D167-C209 PolarHBondContact N-O 2.91Å; D167-C209 PolarHBondContact OD1-N 3.34Å; D167-C209 VanDerWaalsContact OD1-O 3.1Å; D167-C209 VanDerWaalsContact OD2-CB 3.31Å; D167-C209 WeakPolarHBondContact OD2-CB 3.36Å; D167-C209 PolarHBondContact OD2-N 2.93Å; C209-Q226 HydrophobicContact CB-CG 3.54Å | ||
| 210 | L | 96 | Very high | 91.2 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 138.7 | 167.3 | -56.7 | 170.4 | 0 | 0 | 0 | 108.6 | H113 F128 P132 M164 C165 L166 L197 F208 Q226 S227 I230 | H113-L210 HydrophobicContact CB-CD1 3.85Å; F128-L210 HydrophobicContact CE2-CD2 4.18Å; P132-L210 HydrophobicContact CB-CD1 3.6Å; P132-L210 HydrophobicContact CG-CD1 3.56Å; M164-L210 HydrophobicContact CG-CB 4.44Å; M164-L210 HydrophobicContact SD-CB 4.48Å; M164-L210 HydrophobicContact SD-CD1 4.14Å; C165-L210 WeakPolarHBondContact O-CA 3.43Å; L166-L210 HydrophobicContact CD2-CD2 4.24Å; L197-L210 HydrophobicContact CD1-CD2 4.19Å; F208-L210 HydrophobicContact CE2-CD2 3.95Å; L210-Q226 CarbonylContact O-C 3.19Å; L210-Q226 WeakPolarHBondContact O-CA 3.23Å; L210-S227 PolarHBondContact N-OG 2.92Å; L210-S227 PolarHBondContact O-N 3.48Å; L210-I230 HydrophobicContact CD1-CD1 3.86Å; L210-I230 HydrophobicContact CD2-CD1 4.35Å; L210-I230 HydrophobicContact CG-CD1 3.75Å |
| 211 | L | 95.3 | Very high | 91 | Very high | 36 Ų | 36 | 63.4 Ų | 63.4 | 19% | 0.188 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 115.3 | 172.1 | 179.9 | 65.1 | 0 | 0 | 0 | 108.7 | M164 C165 R213 | M164-L211 WeakPolarHBondContact CA-O 3.25Å; C165-L211 PolarHBondContact N-O 2.92Å; C165-L211 PolarHBondContact O-N 3Å; L211-R213 HydrophobicContact CG-CG 4.28Å |
| 212 | L | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 128 | 171.3 | 171.8 | 65.9 | 0 | 0 | 0 | 109 | V109 I111 V134 Y163 M164 L179 L214 S224 F225 | V109-L212 HydrophobicContact CG1-CD2 3.71Å; I111-L212 HydrophobicContact CD1-CB 3.9Å; I111-L212 HydrophobicContact CD1-CD2 4Å; I111-L212 HydrophobicContact CG1-CD2 4.08Å; V134-L212 HydrophobicContact CB-CD2 4.45Å; V134-L212 HydrophobicContact CG1-CD2 3.65Å; V134-L212 HydrophobicContact CG2-CD1 4.17Å; V134-L212 HydrophobicContact CG2-CD2 3.89Å; Y163-L212 CarbonylContact O-C 3.53Å; Y163-L212 WeakPolarHBondContact O-CA 3.04Å; M164-L212 HydrophobicContact CE-CB 4.31Å; M164-L212 HydrophobicContact CE-CD1 4.35Å; L179-L212 HydrophobicContact CD1-CD1 3.51Å; L212-L214 HydrophobicContact CD1-CD2 3.82Å; L212-L214 HydrophobicContact CD1-CG 4.45Å; L212-L214 HydrophobicContact CD2-CD1 4.49Å; L212-L214 HydrophobicContact CD2-CD2 4.17Å; L212-L214 HydrophobicContact CD2-CG 4.24Å; L212-L214 HydrophobicContact CG-CD2 4.07Å; L212-L214 HydrophobicContact CG-CG 4.18Å; L212-S224 CarbonylContact O-C 3.5Å; L212-S224 WeakPolarHBondContact O-CA 3.31Å; L212-F225 HydrophobicContact CB-CB 4.34Å; L212-F225 HydrophobicContact CD2-CD2 4.27Å; L212-F225 HydrophobicContact CG-CD2 4.42Å; L212-F225 PolarHBondContact N-O 3.06Å; L212-F225 PolarHBondContact O-N 2.9Å |
| 213 | R | 94.4 | Very high | 91 | Very high | 90 Ų | 90 | 53.8 Ų | 53.8 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 127.5 | 169.2 | -50.9 | -169.3 | -157.8 | 164.1 | 5 | 109.3 | G162 Y163 L211 F215 S224 | G162-R213 CarbonylContact C-O 3.54Å; G162-R213 VanDerWaalsContact CA-O 3.31Å; G162-R213 WeakPolarHBondContact CA-O 3.38Å; Y163-R213 PolarHBondContact N-O 2.79Å; Y163-R213 PolarHBondContact O-N 3.02Å; L211-R213 HydrophobicContact CG-CG 4.28Å; R213-F215 HydrophobicContact CB-CE2 3.69Å; R213-F215 HydrophobicContact CB-CZ 4.24Å; R213-S224 WeakPolarHBondContact CG-OG 3.27Å |
| 214 | L | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 137.8 | 178.7 | -64.4 | -176.1 | 0 | 0 | 0 | 110.2 | V109 I136 W141 I160 C161 F181 L212 V222 G223 F225 | V109-L214 HydrophobicContact CG1-CD1 4.15Å; V109-L214 HydrophobicContact CG2-CD1 3.81Å; I136-L214 HydrophobicContact CD1-CD1 4.02Å; I136-L214 HydrophobicContact CD1-CD2 4.37Å; W141-L214 HydrophobicContact CH2-CD1 4.39Å; I160-L214 HydrophobicContact CG2-CD2 4.25Å; C161-L214 WeakPolarHBondContact O-CA 3.44Å; F181-L214 HydrophobicContact CE2-CD2 3.9Å; F181-L214 HydrophobicContact CZ-CD2 3.82Å; L212-L214 HydrophobicContact CD1-CD2 3.82Å; L212-L214 HydrophobicContact CD1-CG 4.45Å; L212-L214 HydrophobicContact CD2-CD1 4.49Å; L212-L214 HydrophobicContact CD2-CD2 4.17Å; L212-L214 HydrophobicContact CD2-CG 4.24Å; L212-L214 HydrophobicContact CG-CD2 4.07Å; L212-L214 HydrophobicContact CG-CG 4.18Å; L214-V222 HydrophobicContact CB-CB 3.97Å; L214-V222 HydrophobicContact CB-CG2 4.44Å; L214-V222 PolarHBondContact O-N 3.24Å; L214-G223 PolarHBondContact N-O 3.25Å; L214-G223 PolarHBondContact O-N 3.4Å; L214-F225 HydrophobicContact CB-CE2 4.36Å; L214-F225 HydrophobicContact CD1-CD2 4.31Å; L214-F225 HydrophobicContact CD1-CE2 3.76Å; L214-F225 HydrophobicContact CG-CD2 4.33Å; L214-F225 HydrophobicContact CG-CE2 4.02Å |
| 215 | F | 90.5 | Very high | 91.4 | Very high | 38 Ų | 38 | 45.9 Ų | 45.9 | 17% | 0.167 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 147.6 | 176.7 | -59.2 | -96.5 | 0 | 0 | 0 | 110.1 | C161 Y163 R213 Q220 E221 | C161-F215 PolarHBondContact N-O 3.22Å; C161-F215 PolarHBondContact O-N 3.09Å; C161-F215 PolarHBondContact SG-O 3.11Å; C161-F215 VanDerWaalsContact SG-O 3.41Å; Y163-F215 AromaticContact CD2-CD2 3.84Å; Y163-F215 HydrophobicContact CD2-CD2 3.84Å; Y163-F215 AromaticContact CD2-CE2 3.89Å; Y163-F215 HydrophobicContact CD2-CE2 3.89Å; Y163-F215 HydrophobicContact CE2-CD2 4.12Å; Y163-F215 HydrophobicContact CE2-CE2 4.4Å; R213-F215 HydrophobicContact CB-CE2 3.69Å; R213-F215 HydrophobicContact CB-CZ 4.24Å; F215-Q220 CarbonylContact C-O 3.57Å; F215-Q220 VanDerWaalsContact CA-O 3.25Å; F215-Q220 WeakPolarHBondContact CA-O 3.19Å; F215-E221 HydrophobicContact CD1-CB 3.91Å; F215-E221 HydrophobicContact CD1-CG 4.34Å; F215-E221 HydrophobicContact CE1-CB 3.76Å; F215-E221 HydrophobicContact CE1-CG 3.99Å; F215-E221 HydrophobicContact CZ-CG 4.42Å |
| 216 | L | 87.4 | Confident | 91.4 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | trans | -78.3 | 166.4 | 165.9 | -63 | 175.6 | 0 | 0 | 0 | 110.2 | M144 L148 I160 N218 R219 Q220 V222 I416 | M144-L216 HydrophobicContact CE-CD2 3.96Å; L148-L216 HydrophobicContact CD1-CD1 4.34Å; I160-L216 HydrophobicContact CG1-CD2 4.37Å; L216-N218 VanDerWaalsContact CB-OD1 3.23Å; L216-N218 WeakPolarHBondContact CB-OD1 3.46Å; L216-N218 PolarHBondContact O-N 2.85Å; L216-R219 WeakPolarHBondContact O-CA 3.23Å; L216-R219 PolarHBondContact O-N 2.71Å; L216-Q220 HydrophobicContact CB-CB 4.46Å; L216-Q220 PolarHBondContact N-O 3.01Å; L216-V222 HydrophobicContact CD1-CG2 4.47Å; L216-V222 HydrophobicContact CD2-CG2 3.88Å; L216-V222 HydrophobicContact CG-CG2 3.67Å; L216-I416 HydrophobicContact CD1-CG2 4.37Å | ||
| 217 | G | 80.1 | Confident | 91.5 | Very high | 36 Ų | 36 | 38.9 Ų | 38.9 | 37% | 0.371 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -25.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S156 V157 R159 R219 | S156-G217 WeakPolarHBondContact O-CA 3.41Å; V157-G217 CarbonylContact O-C 3.26Å; V157-G217 WeakPolarHBondContact O-CA 3.3Å; V157-G217 PolarHBondContact O-N 3.25Å; R159-G217 PolarHBondContact O-N 3.01Å; R159-G217 VanDerWaalsContact O-N 3.1Å; G217-R219 PolarHBondContact O-N 2.71Å |
| 218 | N | 79.9 | Confident | 91.5 | Very high | 71 Ų | 71 | 41.6 Ų | 41.6 | 38% | 0.38 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 9.2 | 168.8 | 63.8 | -3.2 | 0 | 0 | 0 | 114.4 | V157 L216 Q220 | V157-N218 HydrophobicContact CG1-CB 4.04Å; V157-N218 PolarHBondContact O-N 3.37Å; V157-N218 VanDerWaalsContact O-N 3.13Å; L216-N218 VanDerWaalsContact CB-OD1 3.23Å; L216-N218 WeakPolarHBondContact CB-OD1 3.46Å; L216-N218 PolarHBondContact O-N 2.85Å; N218-Q220 PolarHBondContact ND2-OE1 3.38Å; N218-Q220 PolarHBondContact O-N 3.49Å; N218-Q220 WeakPolarHBondContact OD1-CB 3.42Å; N218-Q220 PolarHBondContact OD1-N 2.87Å |
| 219 | R | 83 | Confident | 91.5 | Very high | 215 Ų | 215 | 47.2 Ų | 47.2 | 81% | 0.811 | 22% | 0.222 | S | C | * | . | S | Bend | trans | 66.9 | 10.5 | -176.2 | -52.7 | 175.8 | 168.6 | -89.2 | 0.6 | 114.9 | L216 G217 E221 | L216-R219 WeakPolarHBondContact O-CA 3.23Å; L216-R219 PolarHBondContact O-N 2.71Å; G217-R219 PolarHBondContact O-N 2.71Å; R219-E221 PolarHBondContact O-N 2.65Å |
| 220 | Q | 86.2 | Confident | 91.6 | Very high | 45 Ų | 45 | 46.7 Ų | 46.7 | 21% | 0.21 | 22% | 0.218 | C | C | . | . | trans | -70.6 | 128.9 | 172.4 | -174.5 | 175.2 | -14.7 | 0 | 0 | 109.7 | F215 L216 N218 V222 I416 Q417 | F215-Q220 CarbonylContact C-O 3.57Å; F215-Q220 VanDerWaalsContact CA-O 3.25Å; F215-Q220 WeakPolarHBondContact CA-O 3.19Å; L216-Q220 HydrophobicContact CB-CB 4.46Å; L216-Q220 PolarHBondContact N-O 3.01Å; N218-Q220 PolarHBondContact ND2-OE1 3.38Å; N218-Q220 PolarHBondContact O-N 3.49Å; N218-Q220 WeakPolarHBondContact OD1-CB 3.42Å; N218-Q220 PolarHBondContact OD1-N 2.87Å; Q220-V222 PolarHBondContact O-N 3.08Å; Q220-I416 PolarHBondContact NE2-O 2.87Å; Q220-Q417 VanDerWaalsContact NE2-CA 3.26Å | ||
| 221 | E | 89.6 | Confident | 91.6 | Very high | 65 Ų | 65 | 49.4 Ų | 49.4 | 30% | 0.304 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 124.4 | 176.7 | -173.3 | 172.1 | -177.7 | 0 | 0 | 109.6 | F215 R219 S224 P419 | F215-E221 HydrophobicContact CD1-CB 3.91Å; F215-E221 HydrophobicContact CD1-CG 4.34Å; F215-E221 HydrophobicContact CE1-CB 3.76Å; F215-E221 HydrophobicContact CE1-CG 3.99Å; F215-E221 HydrophobicContact CZ-CG 4.42Å; R219-E221 PolarHBondContact O-N 2.65Å; E221-S224 PolarHBondContact OE1-OG 3.1Å; E221-P419 HydrophobicContact CG-CB 4.33Å |
| 222 | V | 91.2 | Very high | 91.7 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.03 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | -49.1 | 169.6 | 179.5 | 0 | 0 | 0 | 0 | 108.6 | W141 L214 L216 Q220 P419 V420 | W141-V222 HydrophobicContact CH2-CG1 3.8Å; W141-V222 HydrophobicContact CZ3-CG1 4.04Å; L214-V222 HydrophobicContact CB-CB 3.97Å; L214-V222 HydrophobicContact CB-CG2 4.44Å; L214-V222 PolarHBondContact O-N 3.24Å; L216-V222 HydrophobicContact CD1-CG2 4.47Å; L216-V222 HydrophobicContact CD2-CG2 3.88Å; L216-V222 HydrophobicContact CG-CG2 3.67Å; Q220-V222 PolarHBondContact O-N 3.08Å; V222-P419 CarbonylContact O-C 3.58Å; V222-P419 WeakPolarHBondContact O-CA 3.4Å; V222-V420 WeakPolarHBondContact O-CG2 3.41Å; V222-V420 PolarHBondContact O-N 2.86Å |
| 223 | G | 92.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.7 | 175.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L214 | L214-G223 PolarHBondContact N-O 3.25Å; L214-G223 PolarHBondContact O-N 3.4Å |
| 224 | S | 93.6 | Very high | 91.5 | Very high | 29 Ų | 29 | 48.5 Ų | 48.5 | 20% | 0.203 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 131.4 | 179.8 | -70.7 | 0 | 0 | 0 | 0 | 111.4 | L212 R213 E221 S421 | L212-S224 CarbonylContact O-C 3.5Å; L212-S224 WeakPolarHBondContact O-CA 3.31Å; R213-S224 WeakPolarHBondContact CG-OG 3.27Å; E221-S224 PolarHBondContact OE1-OG 3.1Å; S224-S421 PolarHBondContact N-OG 3.23Å |
| 225 | F | 95.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 130.4 | -173.3 | -52.5 | -87.9 | 0 | 0 | 0 | 110.4 | V109 I111 L212 L214 F407 F409 V420 F423 | V109-F225 HydrophobicContact CB-CE1 4.38Å; V109-F225 HydrophobicContact CB-CZ 4.44Å; V109-F225 HydrophobicContact CG1-CD2 4.35Å; V109-F225 HydrophobicContact CG1-CG 4.43Å; V109-F225 HydrophobicContact CG2-CE1 4.24Å; V109-F225 HydrophobicContact CG2-CE2 4.18Å; V109-F225 HydrophobicContact CG2-CZ 3.88Å; I111-F225 HydrophobicContact CD1-CB 4Å; L212-F225 HydrophobicContact CB-CB 4.34Å; L212-F225 HydrophobicContact CD2-CD2 4.27Å; L212-F225 HydrophobicContact CG-CD2 4.42Å; L212-F225 PolarHBondContact N-O 3.06Å; L212-F225 PolarHBondContact O-N 2.9Å; L214-F225 HydrophobicContact CB-CE2 4.36Å; L214-F225 HydrophobicContact CD1-CD2 4.31Å; L214-F225 HydrophobicContact CD1-CE2 3.76Å; L214-F225 HydrophobicContact CG-CD2 4.33Å; L214-F225 HydrophobicContact CG-CE2 4.02Å; F225-F407 HydrophobicContact CB-CD2 3.99Å; F225-F407 HydrophobicContact CB-CE2 3.87Å; F225-F407 HydrophobicContact CB-CG 4.5Å; F225-F407 HydrophobicContact CB-CZ 4.27Å; F225-F407 HydrophobicContact CD1-CB 3.7Å; F225-F407 AromaticContact CD1-CD1 3.91Å; F225-F407 HydrophobicContact CD1-CD1 3.91Å; F225-F407 AromaticContact CD1-CD2 3.74Å; F225-F407 HydrophobicContact CD1-CD2 3.74Å; F225-F407 HydrophobicContact CD1-CE2 4.37Å; F225-F407 AromaticContact CD1-CG 3.49Å; F225-F407 HydrophobicContact CD1-CG 3.49Å; F225-F407 VanDerWaalsContact CD1-CG 3.49Å; F225-F407 HydrophobicContact CE1-CB 3.87Å; F225-F407 HydrophobicContact CE1-CG 4.17Å; F225-F407 HydrophobicContact CG-CD2 4.22Å; F225-F407 HydrophobicContact CG-CG 4.39Å; F225-F409 HydrophobicContact CE1-CD1 4.45Å; F225-F409 AromaticContact CE1-CE1 3.92Å; F225-F409 HydrophobicContact CE1-CE1 3.92Å; F225-F409 AromaticContact CZ-CE1 3.86Å; F225-F409 HydrophobicContact CZ-CE1 3.86Å; F225-F409 HydrophobicContact CZ-CZ 4.33Å; F225-V420 HydrophobicContact CE1-CG2 3.87Å; F225-V420 HydrophobicContact CE2-CG2 4.47Å; F225-V420 HydrophobicContact CZ-CG2 3.54Å; F225-F423 HydrophobicContact CD1-CD2 4.39Å; F225-F423 HydrophobicContact CE1-CD2 4.12Å; F225-F423 HydrophobicContact CE1-CE2 4.46Å |
| 226 | Q | 94.6 | Very high | 90.8 | Very high | 83 Ų | 83 | 55.7 Ų | 55.7 | 39% | 0.388 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135.1 | -175.4 | -168.5 | 175.2 | 11.6 | 0 | 0 | 111.3 | D167 C209 L210 F407 | D167-Q226 PolarHBondContact OD2-NE2 3.26Å; C209-Q226 HydrophobicContact CB-CG 3.54Å; L210-Q226 CarbonylContact O-C 3.19Å; L210-Q226 WeakPolarHBondContact O-CA 3.23Å; Q226-F407 VanDerWaalsContact O-CZ 3.24Å; Q226-F407 WeakPolarHBondContact O-CZ 3.39Å |
| 227 | S | 96.3 | Very high | 90.4 | Very high | 8 Ų | 8 | 57.4 Ų | 57.4 | 6% | 0.056 | 29% | 0.286 | C | S | . | . | trans | -72.3 | 174.5 | 175.6 | 80.2 | 0 | 0 | 0 | 0 | 112.6 | H113 L210 | H113-S227 WeakPolarHBondContact NE2-CB 3.46Å; L210-S227 PolarHBondContact N-OG 2.92Å; L210-S227 PolarHBondContact O-N 3.48Å | ||
| 228 | R | 95.5 | Very high | 90.3 | Very high | 130 Ų | 130 | 64.6 Ų | 64.6 | 49% | 0.491 | 31% | 0.31 | S | S | . | . | trans | -67.9 | 163.4 | 163.6 | -66.1 | -57.9 | -178.9 | 176.4 | -0.1 | 110.1 | H113 E403 V405 | H113-R228 PolarHBondContact CE1-O 3.04Å; H113-R228 VanDerWaalsContact CE1-O 3.26Å; H113-R228 PolarHBondContact NE2-N 3.29Å; R228-E403 HydrophobicContact CB-CB 4.33Å; R228-E403 HydrophobicContact CB-CG 4.09Å; R228-E403 HydrophobicContact CG-CB 4.43Å; R228-E403 HydrophobicContact CG-CG 4.31Å; R228-V405 HydrophobicContact CB-CG2 4.35Å; R228-V405 HydrophobicContact CG-CG2 3.64Å | ||
| 229 | M | 95.5 | Very high | 90.2 | Very high | 121 Ų | 121 | 69.4 Ų | 69.4 | 60% | 0.596 | 33% | 0.327 | S | S | * | . | trans | -61.6 | 132.9 | 179.6 | -169.7 | 174.9 | -70.1 | 0 | 0 | 111.6 | H207 | H207-M229 HydrophobicContact CB-CG 3.55Å; H207-M229 HydrophobicContact CB-SD 3.56Å; H207-M229 VanDerWaalsContact CB-SD 3.56Å; H207-M229 PolarHBondContact CD2-SD 3.04Å | ||
| 230 | I | 97.3 | Very high | 90.2 | Very high | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124.9 | 178.2 | -55 | -177.2 | 0 | 0 | 0 | 108.9 | H113 K115 A117 H207 F208 L210 | H113-I230 HydrophobicContact CB-CD1 4.27Å; H113-I230 VanDerWaalsContact ND1-CD1 3.34Å; H113-I230 WeakPolarHBondContact ND1-CD1 3.35Å; H113-I230 WeakPolarHBondContact ND1-CG1 3.09Å; K115-I230 WeakPolarHBondContact O-CA 3.37Å; A117-I230 HydrophobicContact CB-CG2 3.8Å; H207-I230 VanDerWaalsContact CA-O 3.25Å; H207-I230 WeakPolarHBondContact CA-O 3.31Å; F208-I230 HydrophobicContact CD1-CB 4.42Å; F208-I230 HydrophobicContact CD2-CB 4.36Å; F208-I230 HydrophobicContact CE1-CB 4.03Å; F208-I230 HydrophobicContact CE1-CG2 3.85Å; F208-I230 HydrophobicContact CE2-CB 3.96Å; F208-I230 HydrophobicContact CE2-CD1 3.78Å; F208-I230 HydrophobicContact CE2-CG1 4.31Å; F208-I230 HydrophobicContact CE2-CG2 4.25Å; F208-I230 HydrophobicContact CZ-CB 3.79Å; F208-I230 HydrophobicContact CZ-CD1 4.1Å; F208-I230 HydrophobicContact CZ-CG2 3.61Å; F208-I230 PolarHBondContact N-O 3.29Å; F208-I230 PolarHBondContact O-N 3.24Å; L210-I230 HydrophobicContact CD1-CD1 3.86Å; L210-I230 HydrophobicContact CD2-CD1 4.35Å; L210-I230 HydrophobicContact CG-CD1 3.75Å |
| 231 | K | 96.7 | Very high | 90.1 | Very high | 56 Ų | 56 | 66 Ų | 66 | 24% | 0.243 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 128 | 179.4 | 175.5 | 170.5 | -171.9 | 172.6 | 0 | 111.8 | K115 V116 A117 I233 D247 | K115-K231 PolarHBondContact O-N 3.03Å; V116-K231 CarbonylContact C-O 3.31Å; V116-K231 WeakPolarHBondContact CA-O 3.49Å; V116-K231 HydrophobicContact CG1-CB 4.24Å; A117-K231 PolarHBondContact N-O 2.99Å; K231-I233 HydrophobicContact CG-CG2 4.4Å; K231-D247 HydrophobicContact CD-CB 4.2Å; K231-D247 IonicContact NZ-OD2 2.79Å; K231-D247 PolarHBondContact NZ-OD2 2.8Å |
| 232 | V | 96.1 | Very high | 89.8 | Confident | 20 Ų | 20 | 65.4 Ų | 65.4 | 12% | 0.121 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 127.6 | 176.2 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | A117 K119 I199 K206 F208 | A117-V232 WeakPolarHBondContact O-CA 3.17Å; K119-V232 HydrophobicContact CB-CG1 4.13Å; I199-V232 HydrophobicContact CD1-CG1 4.47Å; I199-V232 HydrophobicContact CD1-CG2 3.66Å; I199-V232 HydrophobicContact CG2-CG1 4.39Å; K206-V232 WeakPolarHBondContact O-CB 3.33Å; K206-V232 WeakPolarHBondContact O-CG2 3.47Å; K206-V232 PolarHBondContact O-N 2.63Å; F208-V232 HydrophobicContact CD1-CG2 3.57Å; F208-V232 HydrophobicContact CE1-CG2 3.78Å |
| 233 | I | 94.8 | Very high | 89.4 | Confident | 20 Ų | 20 | 70.6 Ų | 70.6 | 10% | 0.103 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 148.2 | 176 | 62.2 | 172.3 | 0 | 0 | 0 | 110.6 | V116 A117 Q118 K119 K231 L248 L352 | V116-I233 HydrophobicContact CB-CD1 4.32Å; V116-I233 HydrophobicContact CB-CG2 4.44Å; V116-I233 HydrophobicContact CG2-CD1 4.09Å; A117-I233 WeakPolarHBondContact O-CG1 3.43Å; A117-I233 PolarHBondContact O-N 3.35Å; Q118-I233 WeakPolarHBondContact CA-O 3.3Å; Q118-I233 HydrophobicContact CB-CG1 4.41Å; K119-I233 PolarHBondContact N-O 3.47Å; K231-I233 HydrophobicContact CG-CG2 4.4Å; I233-L248 HydrophobicContact CG2-CD2 4.11Å; I233-L352 HydrophobicContact CD1-CD1 3.72Å |
| 234 | S | 91.3 | Very high | 89 | Confident | 68 Ų | 68 | 79.9 Ų | 79.9 | 48% | 0.476 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -76.3 | -50.3 | 177.4 | 51.5 | 0 | 0 | 0 | 0 | 111.6 | Q118 Y121 | Q118-S234 WeakPolarHBondContact CG-O 3.31Å; Q118-S234 PolarHBondContact NE2-O 2.92Å; Y121-S234 WeakPolarHBondContact OH-CB 3.34Å |
| 235 | K | 86.4 | Confident | 88.5 | Confident | 144 Ų | 144 | 83.1 Ų | 83.1 | 63% | 0.626 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -151 | 154.9 | 176.2 | -66.7 | -172.2 | 179.3 | 177.7 | 0 | 109.9 | ||
| 236 | P | 82.9 | Confident | 88.1 | Confident | 44 Ų | 44 | 85.2 Ų | 85.2 | 29% | 0.286 | 41% | 0.414 | S | S | . | . | trans | -55.4 | 140.1 | 167 | -22.2 | 32.8 | 0 | 0 | 0 | 110.9 | Q238 L352 | P236-Q238 PolarHBondContact O-N 2.85Å; P236-L352 HydrophobicContact CB-CB 3.93Å; P236-L352 HydrophobicContact CG-CB 3.76Å; P236-L352 HydrophobicContact CG-CD1 3.93Å | ||
| 237 | S | 79.4 | Confident | 87.6 | Confident | 40 Ų | 40 | 86.5 Ų | 86.5 | 28% | 0.28 | 42% | 0.424 | S | S | . | . | trans | -69.6 | 124.4 | 179.2 | -177.1 | 0 | 0 | 0 | 0 | 110.7 | K239 H353 | S237-K239 PolarHBondContact OG-N 3.42Å; S237-K239 PolarHBondContact OG-O 2.83Å; S237-H353 PolarHBondContact O-CD2 2.93Å; S237-H353 PolarHBondContact O-NE2 3.35Å | ||
| 238 | Q | 77.8 | Confident | 87.4 | Confident | 188 Ų | 188 | 87.8 Ų | 87.8 | 88% | 0.879 | 43% | 0.43 | S | S | * | . | trans | -91.9 | -15 | 170.5 | -66.2 | -177 | -7.5 | 0 | 0 | 112.8 | P236 | P236-Q238 PolarHBondContact O-N 2.85Š| ||
| 239 | K | 79.1 | Confident | 87.4 | Confident | 172 Ų | 172 | 82 Ų | 82 | 75% | 0.748 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -78.5 | 157 | 177.7 | -66.9 | -174.3 | 178.8 | -177.5 | 0 | 110 | S237 Q241 | S237-K239 PolarHBondContact OG-N 3.42Å; S237-K239 PolarHBondContact OG-O 2.83Å; K239-Q241 PolarHBondContact O-N 3.26Å; K239-Q241 VanDerWaalsContact O-N 3.14Å |
| 240 | R | 82.1 | Confident | 87.4 | Confident | 178 Ų | 178 | 76.3 Ų | 76.3 | 67% | 0.672 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -49.8 | 121.2 | 168.9 | 179.8 | 164.7 | -169.5 | -160.2 | 4.1 | 109 | D346 E347 | R240-D346 PolarHBondContact NH2-O 3.36Å; R240-E347 WeakPolarHBondContact CA-OE2 3.11Å; R240-E347 WeakPolarHBondContact CB-OE2 3.46Å; R240-E347 HydrophobicContact CG-CB 3.87Å; R240-E347 VanDerWaalsContact CG-OE2 3.28Å; R240-E347 WeakPolarHBondContact CG-OE2 3.46Å |
| 241 | Q | 84.5 | Confident | 87.3 | Confident | 9 Ų | 9 | 78.2 Ų | 78.2 | 4% | 0.042 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 138.4 | -179.5 | -173.3 | 62.7 | 25.2 | 0 | 0 | 109 | K239 N245 P348 S350 | K239-Q241 PolarHBondContact O-N 3.26Å; K239-Q241 VanDerWaalsContact O-N 3.14Å; Q241-N245 PolarHBondContact NE2-O 2.89Å; Q241-P348 HydrophobicContact CB-CB 4.37Å; Q241-P348 WeakPolarHBondContact CB-O 3.23Å; Q241-P348 HydrophobicContact CG-CB 4.2Å; Q241-P348 WeakPolarHBondContact O-CD 3.45Å; Q241-S350 PolarHBondContact OE1-OG 3.1Å; Q241-S350 VanDerWaalsContact OE1-OG 3.09Å |
| 242 | S | 83.2 | Confident | 87.2 | Confident | 53 Ų | 53 | 76.5 Ų | 76.5 | 37% | 0.371 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -101.7 | 138.2 | 173 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | K244 N245 | S242-K244 PolarHBondContact O-N 3.5Å; S242-K244 VanDerWaalsContact O-N 3.16Å; S242-K244 PolarHBondContact OG-N 3.45Å; S242-N245 PolarHBondContact O-N 2.83Å |
| 243 | M | 82.4 | Confident | 87.1 | Confident | 115 Ų | 115 | 77.5 Ų | 77.5 | 57% | 0.567 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -20.9 | 171.8 | -67.2 | -175.8 | -109.4 | 0 | 0 | 112.9 | N245 A246 F310 P348 | M243-N245 PolarHBondContact O-N 2.82Å; M243-A246 PolarHBondContact O-N 3.44Å; M243-F310 HydrophobicContact CB-CD2 4.29Å; M243-F310 HydrophobicContact CB-CE2 4.44Å; M243-F310 HydrophobicContact CG-CD2 4.1Å; M243-F310 HydrophobicContact SD-CD2 4.36Å; M243-P348 HydrophobicContact CG-CG 3.46Å; M243-P348 VanDerWaalsContact CG-CG 3.46Å |
| 244 | K | 83.8 | Confident | 87.2 | Confident | 195 Ų | 195 | 77.8 Ų | 77.8 | 85% | 0.848 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24.8 | 173.1 | -64 | -174.9 | 178.8 | -176 | 0 | 112.7 | S242 A246 | S242-K244 PolarHBondContact O-N 3.5Å; S242-K244 VanDerWaalsContact O-N 3.16Å; S242-K244 PolarHBondContact OG-N 3.45Å; K244-A246 PolarHBondContact O-N 3.11Å |
| 245 | N | 83.9 | Confident | 87.5 | Confident | 96 Ų | 96 | 78.1 Ų | 78.1 | 51% | 0.513 | 40% | 0.401 | S | S | . | . | trans | -98.4 | 62.2 | 176.1 | -70.1 | -24.9 | 0 | 0 | 0 | 110.5 | Q241 S242 M243 D247 L248 | Q241-N245 PolarHBondContact NE2-O 2.89Å; S242-N245 PolarHBondContact O-N 2.83Å; M243-N245 PolarHBondContact O-N 2.82Å; N245-D247 VanDerWaalsContact C-N 3.29Å; N245-D247 PolarHBondContact O-N 3.44Å; N245-L248 PolarHBondContact O-N 2.85Å | ||
| 246 | A | 85.9 | Confident | 88.1 | Confident | 46 Ų | 46 | 71.3 Ų | 71.3 | 38% | 0.38 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -52.6 | -40.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | M243 K244 L248 C249 F310 | M243-A246 PolarHBondContact O-N 3.44Å; K244-A246 PolarHBondContact O-N 3.11Å; A246-L248 PolarHBondContact O-N 3.36Å; A246-C249 PolarHBondContact O-N 2.84Å; A246-F310 HydrophobicContact CB-CE1 4.23Å; A246-F310 HydrophobicContact CB-CZ 3.63Å |
| 247 | D | 85.8 | Confident | 88.8 | Confident | 109 Ų | 109 | 69.2 Ų | 69.2 | 58% | 0.583 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -56.1 | -25.5 | -178.5 | -60.6 | -6.9 | 0 | 0 | 0 | 114.9 | K231 N245 | K231-D247 HydrophobicContact CD-CB 4.2Å; K231-D247 IonicContact NZ-OD2 2.79Å; K231-D247 PolarHBondContact NZ-OD2 2.8Å; N245-D247 VanDerWaalsContact C-N 3.29Å; N245-D247 PolarHBondContact O-N 3.44Å |
| 248 | L | 91.6 | Very high | 89.7 | Confident | 35 Ų | 35 | 67.4 Ų | 67.4 | 18% | 0.183 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -100 | -9.9 | -178.6 | -64.2 | 179.3 | 0 | 0 | 0 | 112.3 | V116 I233 N245 A246 S350 Q351 | V116-L248 HydrophobicContact CG1-CD2 4.44Å; I233-L248 HydrophobicContact CG2-CD2 4.11Å; N245-L248 PolarHBondContact O-N 2.85Å; A246-L248 PolarHBondContact O-N 3.36Å; L248-S350 CarbonylContact O-C 3.52Å; L248-S350 WeakPolarHBondContact O-CA 3.19Å; L248-S350 PolarHBondContact O-OG 2.86Å; L248-Q351 HydrophobicContact CD2-CG 4.25Å; L248-Q351 WeakPolarHBondContact O-CG 3.33Å; L248-Q351 PolarHBondContact O-N 2.87Å |
| 249 | C | 94.5 | Very high | 90.6 | Very high | 8 Ų | 8 | 58.9 Ų | 58.9 | 5% | 0.054 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -80.2 | 160.2 | 176 | -62.6 | 0 | 0 | 0 | 0 | 110.6 | A246 F310 V349 | A246-C249 PolarHBondContact O-N 2.84Å; C249-F310 HydrophobicContact CB-CD1 3.33Å; C249-F310 HydrophobicContact CB-CE1 3.61Å; C249-F310 HydrophobicContact CB-CG 4Å; C249-F310 HydrophobicContact CB-CZ 4.47Å; C249-V349 WeakPolarHBondContact CA-O 3.5Å |
| 250 | I | 95.9 | Very high | 91.4 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | trans | -104.3 | 125.5 | 171.6 | -57.7 | -175.3 | 0 | 0 | 0 | 108.1 | V256 I291 I311 V349 I399 | I250-V256 HydrophobicContact CD1-CG1 4.18Å; I250-V256 HydrophobicContact CG2-CG1 3.69Å; I250-I291 HydrophobicContact CG2-CG2 3.91Å; I250-I311 HydrophobicContact CG2-CD1 4.1Å; I250-I311 PolarHBondContact O-N 3.04Å; I250-V349 HydrophobicContact CD1-CG1 3.87Å; I250-V349 HydrophobicContact CG1-CG1 4.42Å; I250-V349 PolarHBondContact N-O 2.91Å; I250-I399 HydrophobicContact CD1-CB 4.32Å; I250-I399 HydrophobicContact CD1-CD1 3.59Å; I250-I399 HydrophobicContact CD1-CG1 3.56Å; I250-I399 HydrophobicContact CD1-CG2 3.9Å | ||
| 251 | S | 95.2 | Very high | 91.9 | Very high | 44 Ų | 44 | 46.3 Ų | 46.3 | 31% | 0.308 | 25% | 0.253 | S | S | . | . | B | Isolated β-bridge | trans | -97.3 | 150.3 | 178.8 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | S254 G309 F310 | S251-S254 VanDerWaalsContact O-CB 3.23Å; S251-S254 WeakPolarHBondContact O-CB 3.45Å; S251-S254 PolarHBondContact O-N 2.98Å; S251-S254 VanDerWaalsContact O-N 3.15Å; S251-S254 PolarHBondContact O-OG 3.25Å; S251-G309 WeakPolarHBondContact CA-O 3.42Å; S251-F310 WeakPolarHBondContact OG-CD1 3.44Å; S251-F310 WeakPolarHBondContact OG-CE1 3.48Å |
| 252 | S | 95.2 | Very high | 91.9 | Very high | 21 Ų | 21 | 49 Ų | 49 | 15% | 0.147 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 139.9 | 165.9 | -170.8 | 0 | 0 | 0 | 0 | 110.3 | S254 M293 S307 G309 | S252-S254 PolarHBondContact O-N 2.8Å; S252-M293 PolarHBondContact OG-N 3.01Å; S252-S307 WeakPolarHBondContact CB-O 3.28Å; S252-S307 PolarHBondContact OG-O 2.86Å; S252-G309 PolarHBondContact N-O 2.94Å |
| 253 | G | 93.8 | Very high | 91.9 | Very high | 40 Ų | 40 | 55 Ų | 55 | 41% | 0.412 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | -7.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I291 | G253-I291 PolarHBondContact N-O 3.14Š|
| 254 | S | 96.1 | Very high | 91.8 | Very high | 26 Ų | 26 | 54.1 Ų | 54.1 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | trans | -77.3 | 162.2 | 175.6 | 75.8 | 0 | 0 | 0 | 0 | 112.1 | S251 S252 T290 I291 | S251-S254 VanDerWaalsContact O-CB 3.23Å; S251-S254 WeakPolarHBondContact O-CB 3.45Å; S251-S254 PolarHBondContact O-N 2.98Å; S251-S254 VanDerWaalsContact O-N 3.15Å; S251-S254 PolarHBondContact O-OG 3.25Å; S252-S254 PolarHBondContact O-N 2.8Å; S254-T290 WeakPolarHBondContact O-CA 3.26Å; S254-I291 WeakPolarHBondContact O-CG2 3.44Å; S254-I291 PolarHBondContact O-N 3.09Å | ||
| 255 | K | 97.9 | Very high | 91.8 | Very high | 76 Ų | 76 | 49.4 Ų | 49.4 | 33% | 0.33 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 134.6 | 177.3 | -64.5 | 172.5 | 179.3 | 56.7 | 0 | 110.3 | F289 T322 G401 V402 V404 | K255-F289 CarbonylContact C-O 3.56Å; K255-F289 VanDerWaalsContact CA-O 3.32Å; K255-F289 WeakPolarHBondContact CA-O 3.49Å; K255-T322 HydrophobicContact CD-CG2 4.06Å; K255-T322 HydrophobicContact CG-CG2 4.04Å; K255-G401 WeakPolarHBondContact O-CA 3.35Å; K255-V402 HydrophobicContact CB-CG2 3.89Å; K255-V402 PolarHBondContact O-N 3.49Å; K255-V404 HydrophobicContact CD-CG2 4.1Å |
| 256 | V | 98.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 157.5 | 179.1 | -61.8 | 0 | 0 | 0 | 0 | 111.6 | I250 F289 I291 F319 I399 I400 | I250-V256 HydrophobicContact CD1-CG1 4.18Å; I250-V256 HydrophobicContact CG2-CG1 3.69Å; V256-F289 HydrophobicContact CG2-CB 4.5Å; V256-F289 PolarHBondContact N-O 3.38Å; V256-F289 PolarHBondContact O-N 2.87Å; V256-I291 HydrophobicContact CG1-CG2 3.77Å; V256-I291 HydrophobicContact CG2-CB 3.89Å; V256-I291 HydrophobicContact CG2-CG2 3.95Å; V256-F319 HydrophobicContact CG2-CD1 4.03Å; V256-F319 HydrophobicContact CG2-CE1 3.7Å; V256-I399 HydrophobicContact CB-CD1 4.37Å; V256-I399 HydrophobicContact CB-CG1 4.14Å; V256-I399 HydrophobicContact CG1-CD1 4.28Å; V256-I399 HydrophobicContact CG1-CG1 4.27Å; V256-I399 HydrophobicContact CG2-CD1 4.34Å; V256-I399 HydrophobicContact CG2-CG1 4.5Å; V256-I400 CarbonylContact C-O 3.56Å; V256-I400 WeakPolarHBondContact CA-O 3.5Å; V256-I400 WeakPolarHBondContact CB-O 3.46Å |
| 257 | A | 98.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 149.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | P130 W286 I400 V402 | P130-A257 HydrophobicContact CG-CB 4.03Å; A257-W286 HydrophobicContact CB-CE3 3.8Å; A257-W286 HydrophobicContact CB-CZ3 4.08Å; A257-I400 HydrophobicContact CB-CG2 4.22Å; A257-I400 PolarHBondContact N-O 2.72Å; A257-I400 PolarHBondContact O-N 2.9Å; A257-I400 VanDerWaalsContact O-N 3.13Å; A257-V402 HydrophobicContact CB-CG1 3.59Å |
| 258 | L | 98.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 134.1 | 176.8 | -62.5 | 177.6 | 0 | 0 | 0 | 109.6 | Y271 L272 F319 F357 W397 T398 I399 | L258-Y271 WeakPolarHBondContact O-CA 3.46Å; L258-L272 HydrophobicContact CB-CB 3.96Å; L258-L272 HydrophobicContact CB-CD2 4.32Å; L258-L272 HydrophobicContact CD1-CD2 3.75Å; L258-L272 HydrophobicContact CG-CD2 4.48Å; L258-L272 PolarHBondContact O-N 2.86Å; L258-F319 HydrophobicContact CD1-CD1 4.26Å; L258-F319 HydrophobicContact CD1-CE1 3.83Å; L258-F319 HydrophobicContact CD1-CE2 4.43Å; L258-F319 HydrophobicContact CD1-CZ 3.95Å; L258-F319 HydrophobicContact CD2-CE1 4.42Å; L258-F319 HydrophobicContact CG-CE1 4.29Å; L258-F357 HydrophobicContact CD1-CD2 4.38Å; L258-F357 HydrophobicContact CD1-CE2 3.56Å; L258-F357 HydrophobicContact CD1-CZ 3.82Å; L258-F357 HydrophobicContact CD2-CE2 3.82Å; L258-F357 HydrophobicContact CD2-CZ 3.63Å; L258-F357 HydrophobicContact CG-CE2 4.33Å; L258-F357 HydrophobicContact CG-CZ 4.41Å; L258-W397 HydrophobicContact CB-CE3 3.94Å; L258-T398 WeakPolarHBondContact CA-O 3.34Å; L258-I399 HydrophobicContact CD2-CB 3.71Å; L258-I399 HydrophobicContact CD2-CD1 4.09Å; L258-I399 HydrophobicContact CD2-CG1 3.69Å |
| 259 | F | 97 | Very high | 92.2 | Very high | 10 Ų | 10 | 48 Ų | 48 | 4% | 0.044 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 144.2 | 173.2 | 66.3 | -89.1 | 0 | 0 | 0 | 112.4 | C129 T269 R270 Y271 L352 T398 I400 | C129-F259 HydrophobicContact CB-CZ 4.5Å; F259-T269 HydrophobicContact CB-CG2 4.28Å; F259-T269 HydrophobicContact CD2-CG2 4.08Å; F259-R270 CarbonylContact C-O 3.51Å; F259-R270 VanDerWaalsContact CA-O 3.23Å; F259-R270 WeakPolarHBondContact CA-O 3.49Å; F259-R270 WeakPolarHBondContact CB-O 3.44Å; F259-Y271 HydrophobicContact CB-CD1 3.53Å; F259-Y271 HydrophobicContact CB-CE1 3.86Å; F259-Y271 HydrophobicContact CB-CG 4.36Å; F259-Y271 HydrophobicContact CG-CD1 4.37Å; F259-Y271 HydrophobicContact CG-CE1 4.3Å; F259-L352 HydrophobicContact CE1-CD2 4.23Å; F259-L352 HydrophobicContact CZ-CD2 4.04Å; F259-T398 HydrophobicContact CD1-CG2 4.49Å; F259-T398 HydrophobicContact CE1-CG2 3.66Å; F259-T398 HydrophobicContact CE2-CG2 3.92Å; F259-T398 VanDerWaalsContact CZ-CB 3.46Å; F259-T398 HydrophobicContact CZ-CG2 3.33Å; F259-T398 PolarHBondContact N-O 3.38Å; F259-T398 PolarHBondContact O-N 3.49Å; F259-I400 HydrophobicContact CD1-CG2 4.42Å; F259-I400 HydrophobicContact CE1-CG2 4.1Å |
| 260 | N | 95.6 | Very high | 92.3 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.032 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 138.9 | 169.9 | -172.8 | -69.7 | 0 | 0 | 0 | 108.5 | T269 R270 L369 D393 G394 C396 W397 | N260-T269 VanDerWaalsContact O-CA 3.32Å; N260-T269 WeakPolarHBondContact O-CA 3.22Å; N260-R270 PolarHBondContact N-O 3.42Å; N260-R270 PolarHBondContact O-N 2.87Å; N260-L369 HydrophobicContact CB-CD2 3.69Å; N260-D393 PolarHBondContact ND2-O 2.9Å; N260-G394 PolarHBondContact ND2-O 3.13Å; N260-C396 PolarHBondContact ND2-O 2.85Å; N260-W397 HydrophobicContact CB-CE3 4.22Å; N260-W397 HydrophobicContact CB-CZ3 4.22Å |
| 261 | R | 91.8 | Very high | 92.4 | Very high | 79 Ų | 79 | 51 Ų | 51 | 30% | 0.298 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 100.1 | 172.8 | -171.9 | 179.9 | -70.7 | 171.2 | 1.6 | 109.7 | C129 R263 Q265 T269 | C129-R261 PolarHBondContact SG-NH2 3.08Å; R261-R263 PolarHBondContact O-N 2.88Å; R261-Q265 WeakPolarHBondContact CG-O 3.3Å; R261-T269 PolarHBondContact NE-OG1 2.92Å |
| 262 | L | 85.9 | Confident | 92.5 | Very high | 65 Ų | 65 | 48.9 Ų | 48.9 | 34% | 0.34 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -65.6 | 127.6 | 179.9 | -174.3 | 64.8 | 0 | 0 | 0 | 110.9 | S264 Q265 S268 D393 | L262-S264 PolarHBondContact O-N 3.12Å; L262-Q265 PolarHBondContact O-N 3.44Å; L262-Q265 VanDerWaalsContact O-N 3.1Å; L262-S268 PolarHBondContact N-OG 2.86Å; L262-S268 PolarHBondContact O-OG 3.04Å; L262-D393 HydrophobicContact CD1-CB 3.57Å; L262-D393 WeakPolarHBondContact CD1-OD2 3.34Å |
| 263 | R | 82.3 | Confident | 92.5 | Very high | 180 Ų | 180 | 48 Ų | 48 | 68% | 0.679 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | 51.3 | 28.2 | 178.1 | -61.9 | -178.4 | -65.2 | -169.9 | -1.5 | 114.6 | R261 Q265 | R261-R263 PolarHBondContact O-N 2.88Å; R263-Q265 HydrophobicContact CB-CG 4.42Å; R263-Q265 PolarHBondContact O-N 2.83Å; R263-Q265 VanDerWaalsContact O-N 3.16Å |
| 264 | S | 80.4 | Confident | 92.4 | Very high | 96 Ų | 96 | 47.3 Ų | 47.3 | 67% | 0.671 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | 60.3 | 19.8 | -178.3 | -52.7 | 0 | 0 | 0 | 0 | 114.8 | L262 | L262-S264 PolarHBondContact O-N 3.12Š|
| 265 | Q | 84.2 | Confident | 92.1 | Very high | 96 Ų | 96 | 49.7 Ų | 49.7 | 45% | 0.449 | 25% | 0.252 | S | S | . | . | trans | -86.6 | 128 | 178.6 | -64.3 | 179.5 | -4.3 | 0 | 0 | 110.8 | R261 L262 R263 V267 S268 | R261-Q265 WeakPolarHBondContact CG-O 3.3Å; L262-Q265 PolarHBondContact O-N 3.44Å; L262-Q265 VanDerWaalsContact O-N 3.1Å; R263-Q265 HydrophobicContact CB-CG 4.42Å; R263-Q265 PolarHBondContact O-N 2.83Å; R263-Q265 VanDerWaalsContact O-N 3.16Å; Q265-V267 VanDerWaalsContact C-N 3.3Å; Q265-V267 PolarHBondContact O-N 3.15Å; Q265-S268 PolarHBondContact O-N 3.42Å; Q265-S268 PolarHBondContact O-OG 3.39Å | ||
| 266 | T | 83.9 | Confident | 91.4 | Very high | 92 Ų | 92 | 55.3 Ų | 55.3 | 56% | 0.564 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -61.7 | -38.2 | -176.9 | -55.4 | 0 | 0 | 0 | 0 | 112.6 | S268 T269 | T266-S268 PolarHBondContact O-N 3.06Å; T266-T269 WeakPolarHBondContact O-CB 3.3Å; T266-T269 PolarHBondContact O-N 2.86Å; T266-T269 VanDerWaalsContact O-N 3.12Å; T266-T269 PolarHBondContact O-OG1 2.93Å |
| 267 | V | 87.7 | Confident | 90.7 | Very high | 136 Ų | 136 | 57.2 Ų | 57.2 | 82% | 0.824 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -66.9 | -24.7 | -179.1 | -178.8 | 0 | 0 | 0 | 0 | 112.7 | Q265 T269 R270 | Q265-V267 VanDerWaalsContact C-N 3.3Å; Q265-V267 PolarHBondContact O-N 3.15Å; V267-T269 VanDerWaalsContact C-N 3.27Å; V267-T269 PolarHBondContact O-N 3.35Å; V267-R270 PolarHBondContact O-NH1 2.81Å |
| 268 | S | 89.2 | Confident | 90.3 | Very high | 22 Ų | 22 | 58.5 Ų | 58.5 | 15% | 0.154 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -84.6 | -0.5 | 176.9 | 71.1 | 0 | 0 | 0 | 0 | 113.2 | L262 Q265 T266 R270 | L262-S268 PolarHBondContact N-OG 2.86Å; L262-S268 PolarHBondContact O-OG 3.04Å; Q265-S268 PolarHBondContact O-N 3.42Å; Q265-S268 PolarHBondContact O-OG 3.39Å; T266-S268 PolarHBondContact O-N 3.06Å; S268-R270 PolarHBondContact O-N 2.9Å |
| 269 | T | 94.9 | Very high | 90.1 | Very high | 6 Ų | 6 | 60 Ų | 60 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 128.4 | -178.9 | -48.2 | 0 | 0 | 0 | 0 | 109.7 | F259 N260 R261 T266 V267 Y271 | F259-T269 HydrophobicContact CB-CG2 4.28Å; F259-T269 HydrophobicContact CD2-CG2 4.08Å; N260-T269 VanDerWaalsContact O-CA 3.32Å; N260-T269 WeakPolarHBondContact O-CA 3.22Å; R261-T269 PolarHBondContact NE-OG1 2.92Å; T266-T269 WeakPolarHBondContact O-CB 3.3Å; T266-T269 PolarHBondContact O-N 2.86Å; T266-T269 VanDerWaalsContact O-N 3.12Å; T266-T269 PolarHBondContact O-OG1 2.93Å; V267-T269 VanDerWaalsContact C-N 3.27Å; V267-T269 PolarHBondContact O-N 3.35Å; T269-Y271 HydrophobicContact CG2-CE1 3.85Å; T269-Y271 HydrophobicContact CG2-CE2 4.07Å |
| 270 | R | 96.4 | Very high | 89.9 | Confident | 54 Ų | 54 | 61.9 Ų | 61.9 | 20% | 0.204 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.4 | 172.2 | -66.8 | -62 | -176.3 | -82.4 | -1.8 | 109 | F259 N260 V267 S268 A281 S282 L369 D372 | F259-R270 CarbonylContact C-O 3.51Å; F259-R270 VanDerWaalsContact CA-O 3.23Å; F259-R270 WeakPolarHBondContact CA-O 3.49Å; F259-R270 WeakPolarHBondContact CB-O 3.44Å; N260-R270 PolarHBondContact N-O 3.42Å; N260-R270 PolarHBondContact O-N 2.87Å; V267-R270 PolarHBondContact O-NH1 2.81Å; S268-R270 PolarHBondContact O-N 2.9Å; R270-A281 HydrophobicContact CB-CB 4.17Å; R270-S282 WeakPolarHBondContact CA-O 3.5Å; R270-L369 HydrophobicContact CB-CD2 3.66Å; R270-L369 HydrophobicContact CG-CD2 3.89Å; R270-D372 IonicContact CZ-OD1 3.22Å; R270-D372 IonicContact NE-OD1 3.01Å; R270-D372 PolarHBondContact NE-OD1 3.41Å; R270-D372 IonicContact NH2-OD1 3.63Å; R270-D372 PolarHBondContact NH2-OD1 2.9Å |
| 271 | Y | 97.2 | Very high | 89.9 | Confident | 19 Ų | 19 | 61.8 Ų | 61.8 | 8% | 0.075 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 140.1 | 178.1 | -52.2 | -84.9 | 0 | 0 | 0 | 109 | P130 P131 L258 F259 T269 S273 A281 S282 Q285 W286 | P130-Y271 HydrophobicContact CB-CD1 3.96Å; P130-Y271 HydrophobicContact CB-CE1 3.7Å; P131-Y271 VanDerWaalsContact CD-OH 3.26Å; P131-Y271 WeakPolarHBondContact CD-OH 3.21Å; L258-Y271 WeakPolarHBondContact O-CA 3.46Å; F259-Y271 HydrophobicContact CB-CD1 3.53Å; F259-Y271 HydrophobicContact CB-CE1 3.86Å; F259-Y271 HydrophobicContact CB-CG 4.36Å; F259-Y271 HydrophobicContact CG-CD1 4.37Å; F259-Y271 HydrophobicContact CG-CE1 4.3Å; T269-Y271 HydrophobicContact CG2-CE1 3.85Å; T269-Y271 HydrophobicContact CG2-CE2 4.07Å; Y271-S273 PolarHBondContact O-N 2.85Å; Y271-A281 CarbonylContact O-C 3.59Å; Y271-A281 WeakPolarHBondContact O-CA 3.31Å; Y271-S282 WeakPolarHBondContact CD2-O 3.01Å; Y271-S282 PolarHBondContact N-O 2.85Å; Y271-S282 PolarHBondContact O-N 3.35Å; Y271-Q285 WeakPolarHBondContact CB-O 3.3Å; Y271-W286 VanDerWaalsContact CB-CB 3.43Å; Y271-W286 HydrophobicContact CD1-CB 3.92Å; Y271-W286 HydrophobicContact CD2-CB 4.35Å; Y271-W286 HydrophobicContact CG-CB 3.65Å |
| 272 | L | 97.3 | Very high | 90 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 128.7 | 166.2 | -174.2 | 68.2 | 0 | 0 | 0 | 108.3 | L258 F279 T287 F289 L328 I374 W397 | L258-L272 HydrophobicContact CB-CB 3.96Å; L258-L272 HydrophobicContact CB-CD2 4.32Å; L258-L272 HydrophobicContact CD1-CD2 3.75Å; L258-L272 HydrophobicContact CG-CD2 4.48Å; L258-L272 PolarHBondContact O-N 2.86Å; L272-F279 HydrophobicContact CD1-CD1 4.43Å; L272-T287 PolarHBondContact O-N 3.41Å; L272-F289 HydrophobicContact CB-CE2 4.1Å; L272-F289 HydrophobicContact CD2-CD2 4.3Å; L272-F289 HydrophobicContact CD2-CE2 3.71Å; L272-F289 HydrophobicContact CD2-CZ 3.86Å; L272-F289 HydrophobicContact CG-CE2 3.78Å; L272-F289 HydrophobicContact CG-CZ 3.81Å; L272-L328 HydrophobicContact CD2-CD1 3.94Å; L272-I374 HydrophobicContact CD1-CD1 3.64Å; L272-I374 HydrophobicContact CD1-CG1 3.77Å; L272-W397 HydrophobicContact CB-CH2 4.45Å; L272-W397 HydrophobicContact CB-CZ3 4.04Å; L272-W397 HydrophobicContact CD1-CH2 4.45Å |
| 273 | S | 95.4 | Very high | 90.3 | Very high | 4 Ų | 4 | 58 Ų | 58 | 3% | 0.028 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 161.3 | -178.2 | -162.8 | 0 | 0 | 0 | 0 | 109.7 | Y271 I280 T287 | Y271-S273 PolarHBondContact O-N 2.85Å; S273-I280 PolarHBondContact N-O 3.18Å; S273-I280 PolarHBondContact O-N 3.36Å; S273-I280 VanDerWaalsContact O-O 3.11Å; S273-T287 VanDerWaalsContact CA-OG1 3.31Å; S273-T287 WeakPolarHBondContact CA-OG1 3.33Å; S273-T287 PolarHBondContact OG-OG1 2.73Å; S273-T287 VanDerWaalsContact OG-OG1 3.08Å |
| 274 | V | 92.5 | Very high | 90.6 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 15% | 0.145 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129.4 | 169.7 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | A278 F279 T287 F289 C321 | V274-A278 WeakPolarHBondContact CA-O 3.37Å; V274-F279 HydrophobicContact CG2-CD1 3.8Å; V274-F279 HydrophobicContact CG2-CE1 3.7Å; V274-F279 HydrophobicContact CG2-CZ 4.46Å; V274-T287 HydrophobicContact CG2-CG2 4.43Å; V274-T287 PolarHBondContact N-OG1 3.46Å; V274-F289 HydrophobicContact CG2-CE1 3.77Å; V274-F289 HydrophobicContact CG2-CZ 3.97Å; V274-C321 HydrophobicContact CG2-CB 3.92Å |
| 275 | D | 88.5 | Confident | 91.1 | Very high | 77 Ų | 77 | 52.7 Ų | 52.7 | 41% | 0.412 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 129.6 | 169.9 | -177.6 | 36.7 | 0 | 0 | 0 | 109 | G277 A278 I280 | D275-G277 PolarHBondContact O-N 3.48Å; D275-G277 VanDerWaalsContact O-N 3.08Å; D275-A278 PolarHBondContact N-O 3.32Å; D275-A278 PolarHBondContact O-N 2.89Å; D275-I280 HydrophobicContact CB-CD1 3.62Å; D275-I280 HydrophobicContact CB-CG1 4.17Å |
| 276 | R | 83.7 | Confident | 91.7 | Very high | 193 Ų | 193 | 48.2 Ų | 48.2 | 73% | 0.728 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 36.5 | -178.8 | -55.6 | 178.2 | -170.3 | -111.9 | 9 | 114.4 | N186 A278 | N186-R276 PolarHBondContact ND2-NH2 3.47Å; N186-R276 PolarHBondContact OD1-NH2 2.82Å; R276-A278 VanDerWaalsContact C-N 3.25Å; R276-A278 PolarHBondContact O-N 3.35Å |
| 277 | G | 84.4 | Confident | 92.3 | Very high | 41 Ų | 41 | 44.4 Ų | 44.4 | 42% | 0.423 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 2.8 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | D275 | D275-G277 PolarHBondContact O-N 3.48Å; D275-G277 VanDerWaalsContact O-N 3.08Å |
| 278 | A | 90.3 | Very high | 92.7 | Very high | 28 Ų | 28 | 38 Ų | 38 | 23% | 0.231 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 142.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T62 V274 D275 R276 | T62-A278 HydrophobicContact CG2-CB 4.07Å; V274-A278 WeakPolarHBondContact CA-O 3.37Å; D275-A278 PolarHBondContact N-O 3.32Å; D275-A278 PolarHBondContact O-N 2.89Å; R276-A278 VanDerWaalsContact C-N 3.25Å; R276-A278 PolarHBondContact O-N 3.35Å |
| 279 | F | 93.1 | Very high | 93.2 | Very high | 33 Ų | 33 | 37 Ų | 37 | 15% | 0.145 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 125.1 | 172.9 | -66.9 | -83.3 | 0 | 0 | 0 | 110.3 | L272 V274 F289 V326 L328 I374 | L272-F279 HydrophobicContact CD1-CD1 4.43Å; V274-F279 HydrophobicContact CG2-CD1 3.8Å; V274-F279 HydrophobicContact CG2-CE1 3.7Å; V274-F279 HydrophobicContact CG2-CZ 4.46Å; F279-F289 HydrophobicContact CD1-CE1 4.37Å; F279-F289 AromaticContact CE1-CE1 3.79Å; F279-F289 HydrophobicContact CE1-CE1 3.79Å; F279-F289 HydrophobicContact CE1-CZ 4.38Å; F279-V326 HydrophobicContact CE2-CG1 3.66Å; F279-V326 HydrophobicContact CZ-CG1 3.79Å; F279-L328 HydrophobicContact CD1-CD1 4.34Å; F279-L328 HydrophobicContact CD1-CD2 3.84Å; F279-L328 HydrophobicContact CD1-CG 3.94Å; F279-L328 HydrophobicContact CD2-CD2 3.59Å; F279-L328 HydrophobicContact CD2-CG 4.32Å; F279-L328 HydrophobicContact CE1-CD1 4.18Å; F279-L328 HydrophobicContact CE1-CD2 3.87Å; F279-L328 HydrophobicContact CE1-CG 3.55Å; F279-L328 HydrophobicContact CE2-CD2 3.62Å; F279-L328 HydrophobicContact CE2-CG 3.96Å; F279-L328 HydrophobicContact CG-CD2 3.71Å; F279-L328 HydrophobicContact CG-CG 4.32Å; F279-L328 HydrophobicContact CZ-CB 4.36Å; F279-L328 HydrophobicContact CZ-CD2 3.78Å; F279-L328 HydrophobicContact CZ-CG 3.57Å; F279-I374 HydrophobicContact CB-CB 4.28Å; F279-I374 HydrophobicContact CB-CG1 4.21Å; F279-I374 HydrophobicContact CB-CG2 4.45Å |
| 280 | I | 93.9 | Very high | 93.3 | Very high | 49 Ų | 49 | 38.2 Ų | 38.2 | 25% | 0.251 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 166.3 | -179.9 | 65.3 | 162 | 0 | 0 | 0 | 110.4 | S273 D275 | S273-I280 PolarHBondContact N-O 3.18Å; S273-I280 PolarHBondContact O-N 3.36Å; S273-I280 VanDerWaalsContact O-O 3.11Å; D275-I280 HydrophobicContact CB-CD1 3.62Å; D275-I280 HydrophobicContact CB-CG1 4.17Å |
| 281 | A | 94.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.033 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 108.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | R270 Y271 L369 D372 I374 | R270-A281 HydrophobicContact CB-CB 4.17Å; Y271-A281 CarbonylContact O-C 3.59Å; Y271-A281 WeakPolarHBondContact O-CA 3.31Å; A281-L369 HydrophobicContact CB-CD1 3.1Å; A281-L369 HydrophobicContact CB-CG 4.43Å; A281-D372 PolarHBondContact N-O 3.12Å; A281-D372 VanDerWaalsContact N-O 3.12Å; A281-I374 HydrophobicContact CB-CD1 3.91Å |
| 282 | S | 93.9 | Very high | 93.3 | Very high | 17 Ų | 17 | 35.1 Ų | 35.1 | 12% | 0.119 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 140.3 | -174 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | R270 Y271 R284 Q285 | R270-S282 WeakPolarHBondContact CA-O 3.5Å; Y271-S282 WeakPolarHBondContact CD2-O 3.01Å; Y271-S282 PolarHBondContact N-O 2.85Å; Y271-S282 PolarHBondContact O-N 3.35Å; S282-R284 PolarHBondContact OG-N 2.87Å; S282-Q285 VanDerWaalsContact CB-O 3.29Å; S282-Q285 WeakPolarHBondContact CB-O 3.24Å; S282-Q285 PolarHBondContact OG-N 2.76Å |
| 283 | A | 92.1 | Very high | 93.1 | Very high | 46 Ų | 46 | 36.2 Ų | 36.2 | 38% | 0.38 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -86.6 | -9.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 284 | R | 89.4 | Confident | 92.8 | Very high | 125 Ų | 125 | 37.5 Ų | 37.5 | 47% | 0.472 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -114.1 | -44.1 | -172.6 | -67.3 | -176.8 | 67.9 | -170.4 | 3.3 | 113 | D182 S282 | D182-R284 IonicContact OD2-NH2 2.96Å; D182-R284 PolarHBondContact OD2-NH2 3.13Å; S282-R284 PolarHBondContact OG-N 2.87Å |
| 285 | Q | 91.8 | Very high | 92.1 | Very high | 40 Ų | 40 | 40.1 Ų | 40.1 | 19% | 0.187 | 21% | 0.212 | C | C | . | . | trans | -115.2 | 159.1 | -173.4 | -76.2 | 165.8 | -15.9 | 0 | 0 | 109.8 | F191 Y271 S282 | F191-Q285 HydrophobicContact CD1-CG 4.34Å; F191-Q285 HydrophobicContact CE1-CG 3.73Å; F191-Q285 HydrophobicContact CE2-CG 3.93Å; F191-Q285 HydrophobicContact CZ-CG 3.49Å; F191-Q285 VanDerWaalsContact CZ-CG 3.49Å; Y271-Q285 WeakPolarHBondContact CB-O 3.3Å; S282-Q285 VanDerWaalsContact CB-O 3.29Å; S282-Q285 WeakPolarHBondContact CB-O 3.24Å; S282-Q285 PolarHBondContact OG-N 2.76Å | ||
| 286 | W | 95.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | trans | -143.1 | 147.3 | 173.8 | 58.3 | -87.7 | 0 | 0 | 0 | 107.4 | L112 P130 P131 A257 Y271 A288 V402 | L112-W286 HydrophobicContact CB-CH2 3.48Å; L112-W286 VanDerWaalsContact CB-CH2 3.48Å; L112-W286 HydrophobicContact CB-CZ2 3.63Å; L112-W286 HydrophobicContact CB-CZ3 4.28Å; L112-W286 HydrophobicContact CD2-CH2 4.27Å; L112-W286 HydrophobicContact CD2-CZ3 4.28Å; L112-W286 HydrophobicContact CG-CH2 4.49Å; P130-W286 HydrophobicContact CB-CB 4.45Å; P130-W286 HydrophobicContact CB-CD2 3.66Å; P130-W286 HydrophobicContact CB-CE3 4.33Å; P130-W286 HydrophobicContact CB-CG 3.71Å; P130-W286 HydrophobicContact CB-CZ2 4.14Å; P130-W286 HydrophobicContact CG-CD2 3.88Å; P130-W286 HydrophobicContact CG-CE3 4.08Å; P130-W286 HydrophobicContact CG-CG 4.42Å; P130-W286 HydrophobicContact CG-CH2 4.06Å; P130-W286 HydrophobicContact CG-CZ2 3.89Å; P130-W286 HydrophobicContact CG-CZ3 4.18Å; P131-W286 PolarHBondContact O-NE1 3.14Å; A257-W286 HydrophobicContact CB-CE3 3.8Å; A257-W286 HydrophobicContact CB-CZ3 4.08Å; Y271-W286 VanDerWaalsContact CB-CB 3.43Å; Y271-W286 HydrophobicContact CD1-CB 3.92Å; Y271-W286 HydrophobicContact CD2-CB 4.35Å; Y271-W286 HydrophobicContact CG-CB 3.65Å; W286-A288 HydrophobicContact CZ3-CB 4.47Å; W286-V402 HydrophobicContact CH2-CB 4.07Å; W286-V402 HydrophobicContact CH2-CG1 3.95Å; W286-V402 HydrophobicContact CZ3-CB 3.92Å; W286-V402 HydrophobicContact CZ3-CG1 3.7Å; W286-V402 HydrophobicContact CZ3-CG2 4.05Å | ||
| 287 | T | 95.7 | Very high | 89.1 | Confident | 13 Ų | 13 | 39.1 Ų | 39.1 | 8% | 0.08 | 22% | 0.216 | C | C | . | . | trans | -107.8 | 141.1 | -179.6 | -61.1 | 0 | 0 | 0 | 0 | 109.3 | L272 S273 V274 F289 C321 | L272-T287 PolarHBondContact O-N 3.41Å; S273-T287 VanDerWaalsContact CA-OG1 3.31Å; S273-T287 WeakPolarHBondContact CA-OG1 3.33Å; S273-T287 PolarHBondContact OG-OG1 2.73Å; S273-T287 VanDerWaalsContact OG-OG1 3.08Å; V274-T287 HydrophobicContact CG2-CG2 4.43Å; V274-T287 PolarHBondContact N-OG1 3.46Å; T287-F289 HydrophobicContact CG2-CE1 3.98Å; T287-F289 HydrophobicContact CG2-CE2 4.08Å; T287-F289 HydrophobicContact CG2-CZ 3.77Å; T287-F289 VanDerWaalsContact O-CD2 3.29Å; T287-F289 WeakPolarHBondContact O-CD2 3.28Å; T287-F289 WeakPolarHBondContact O-CE2 3.48Å; T287-C321 HydrophobicContact CG2-CB 4.39Å; T287-C321 WeakPolarHBondContact CG2-SG 3.32Å | ||
| 288 | A | 97.6 | Very high | 87.2 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | trans | -80.2 | 131.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | W286 T322 V402 V404 | W286-A288 HydrophobicContact CZ3-CB 4.47Å; A288-T322 HydrophobicContact CB-CG2 4.13Å; A288-T322 WeakPolarHBondContact O-CG2 3.47Å; A288-T322 PolarHBondContact O-N 3.24Å; A288-T322 VanDerWaalsContact O-N 3.09Å; A288-T322 PolarHBondContact O-OG1 2.92Å; A288-T322 VanDerWaalsContact O-OG1 3.09Å; A288-V402 HydrophobicContact CB-CG2 3.84Å; A288-V404 HydrophobicContact CB-CG2 3.88Å | ||
| 289 | F | 98.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130.1 | 176.8 | -62.6 | -83.1 | 0 | 0 | 0 | 109.5 | K255 V256 L272 V274 F279 T287 I291 F319 I320 C321 | K255-F289 CarbonylContact C-O 3.56Å; K255-F289 VanDerWaalsContact CA-O 3.32Å; K255-F289 WeakPolarHBondContact CA-O 3.49Å; V256-F289 HydrophobicContact CG2-CB 4.5Å; V256-F289 PolarHBondContact N-O 3.38Å; V256-F289 PolarHBondContact O-N 2.87Å; L272-F289 HydrophobicContact CB-CE2 4.1Å; L272-F289 HydrophobicContact CD2-CD2 4.3Å; L272-F289 HydrophobicContact CD2-CE2 3.71Å; L272-F289 HydrophobicContact CD2-CZ 3.86Å; L272-F289 HydrophobicContact CG-CE2 3.78Å; L272-F289 HydrophobicContact CG-CZ 3.81Å; V274-F289 HydrophobicContact CG2-CE1 3.77Å; V274-F289 HydrophobicContact CG2-CZ 3.97Å; F279-F289 HydrophobicContact CD1-CE1 4.37Å; F279-F289 AromaticContact CE1-CE1 3.79Å; F279-F289 HydrophobicContact CE1-CE1 3.79Å; F279-F289 HydrophobicContact CE1-CZ 4.38Å; T287-F289 HydrophobicContact CG2-CE1 3.98Å; T287-F289 HydrophobicContact CG2-CE2 4.08Å; T287-F289 HydrophobicContact CG2-CZ 3.77Å; T287-F289 VanDerWaalsContact O-CD2 3.29Å; T287-F289 WeakPolarHBondContact O-CD2 3.28Å; T287-F289 WeakPolarHBondContact O-CE2 3.48Å; F289-I291 PolarHBondContact O-N 2.87Å; F289-F319 HydrophobicContact CB-CB 4.16Å; F289-F319 HydrophobicContact CB-CD1 3.95Å; F289-F319 HydrophobicContact CD1-CB 4.3Å; F289-F319 HydrophobicContact CG-CB 4.38Å; F289-I320 CarbonylContact C-O 3.52Å; F289-I320 VanDerWaalsContact CA-O 3.26Å; F289-I320 WeakPolarHBondContact CA-O 3.16Å; F289-C321 HydrophobicContact CD1-CB 4.21Å; F289-C321 HydrophobicContact CE1-CB 4.03Å |
| 290 | T | 97.7 | Very high | 82.2 | Confident | 33 Ų | 33 | 56.6 Ų | 56.6 | 20% | 0.202 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 120.3 | 164.1 | -57.1 | 0 | 0 | 0 | 0 | 107.6 | S254 I292 I320 | S254-T290 WeakPolarHBondContact O-CA 3.26Å; T290-I292 HydrophobicContact CG2-CG2 4.08Å; T290-I320 PolarHBondContact N-O 2.78Å; T290-I320 PolarHBondContact O-N 2.84Å |
| 291 | I | 97.3 | Very high | 79.7 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.1 | 175.5 | -172 | 172.6 | 0 | 0 | 0 | 109 | I250 G253 S254 V256 F289 I311 V317 Q318 F319 I399 | I250-I291 HydrophobicContact CG2-CG2 3.91Å; G253-I291 PolarHBondContact N-O 3.14Å; S254-I291 WeakPolarHBondContact O-CG2 3.44Å; S254-I291 PolarHBondContact O-N 3.09Å; V256-I291 HydrophobicContact CG1-CG2 3.77Å; V256-I291 HydrophobicContact CG2-CB 3.89Å; V256-I291 HydrophobicContact CG2-CG2 3.95Å; F289-I291 PolarHBondContact O-N 2.87Å; I291-I311 HydrophobicContact CB-CD1 4.18Å; I291-I311 HydrophobicContact CD1-CD1 3.45Å; I291-I311 VanDerWaalsContact CD1-CD1 3.45Å; I291-I311 HydrophobicContact CG1-CD1 3.53Å; I291-I311 HydrophobicContact CG2-CD1 3.66Å; I291-V317 HydrophobicContact CD1-CB 4.13Å; I291-V317 HydrophobicContact CD1-CG1 4.18Å; I291-V317 HydrophobicContact CD1-CG2 4.27Å; I291-V317 HydrophobicContact CG1-CB 4.01Å; I291-V317 HydrophobicContact CG1-CG1 4.28Å; I291-Q318 WeakPolarHBondContact CA-O 3.36Å; I291-F319 HydrophobicContact CB-CD1 4.28Å; I291-F319 HydrophobicContact CB-CE1 4.16Å; I291-F319 HydrophobicContact CD1-CD1 4.48Å; I291-F319 HydrophobicContact CD1-CE1 3.63Å; I291-F319 HydrophobicContact CD1-CZ 3.62Å; I291-F319 HydrophobicContact CG1-CD1 4.32Å; I291-F319 HydrophobicContact CG1-CE1 3.94Å; I291-F319 HydrophobicContact CG1-CZ 4.17Å; I291-I399 HydrophobicContact CD1-CD1 4.15Å |
| 292 | I | 95.6 | Very high | 77.1 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 4% | 0.041 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 138.8 | 178.7 | 56.2 | 167.9 | 0 | 0 | 0 | 110.1 | T290 I304 L306 V317 Q318 I320 | T290-I292 HydrophobicContact CG2-CG2 4.08Å; I292-I304 HydrophobicContact CD1-CG2 4.15Å; I292-L306 HydrophobicContact CG2-CD2 4.2Å; I292-V317 CarbonylContact O-C 3.57Å; I292-V317 VanDerWaalsContact O-CA 3.23Å; I292-V317 WeakPolarHBondContact O-CA 3.32Å; I292-Q318 HydrophobicContact CD1-CB 4.09Å; I292-Q318 HydrophobicContact CG1-CB 3.75Å; I292-Q318 WeakPolarHBondContact CG1-O 3.33Å; I292-Q318 PolarHBondContact N-O 2.84Å; I292-Q318 PolarHBondContact O-N 3.17Å; I292-I320 HydrophobicContact CD1-CD1 3.61Å; I292-I320 HydrophobicContact CD1-CG1 4.46Å; I292-I320 HydrophobicContact CG1-CD1 4.19Å |
| 293 | M | 93.3 | Very high | 74.5 | Confident | 22 Ų | 22 | 68.2 Ų | 68.2 | 11% | 0.108 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 131.9 | 166.8 | -65.8 | -171.3 | -52.8 | 0 | 0 | 108.9 | S252 S307 I311 | S252-M293 PolarHBondContact OG-N 3.01Å; M293-S307 WeakPolarHBondContact CE-O 3.31Å; M293-I311 HydrophobicContact CG-CD1 4.36Å; M293-I311 HydrophobicContact CG-CG1 3.75Å; M293-I311 HydrophobicContact SD-CB 4.39Å; M293-I311 HydrophobicContact SD-CG1 3.92Å |
| 294 | V | 89.3 | Confident | 72.5 | Confident | 32 Ų | 32 | 70.9 Ų | 70.9 | 19% | 0.194 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -102.8 | 118.1 | 177.4 | -176.6 | 0 | 0 | 0 | 0 | 107.4 | V316 Q318 | V294-V316 HydrophobicContact CB-CB 4.42Å; V294-V316 HydrophobicContact CB-CG1 4.01Å; V294-V316 PolarHBondContact N-O 2.81Å; V294-Q318 HydrophobicContact CG2-CB 3.85Å |
| 295 | D | 78.4 | Confident | 70.6 | Confident | 79 Ų | 79 | 68.8 Ų | 68.8 | 42% | 0.422 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -74 | 143.4 | 174.3 | -162.1 | -7.8 | 0 | 0 | 0 | 110.3 | Q297 | D295-Q297 VanDerWaalsContact C-N 3.27Å; D295-Q297 PolarHBondContact OD1-N 3.26Å |
| 296 | D | 57.7 | Low | 68.9 | Low | 99 Ų | 99 | 72.6 Ų | 72.6 | 53% | 0.529 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -78.2 | -16.4 | 175.9 | -79 | -14 | 0 | 0 | 0 | 112.2 | R298 R360 | D296-R298 VanDerWaalsContact C-N 3.31Å; D296-R298 PolarHBondContact O-N 2.75Å; D296-R360 IonicContact OD1-CZ 3.67Å; D296-R360 IonicContact OD1-NH1 3.01Å; D296-R360 PolarHBondContact OD1-NH1 2.8Å; D296-R360 IonicContact OD1-NH2 3.16Å; D296-R360 PolarHBondContact OD1-NH2 2.99Å |
| 297 | Q | 50.9 | Low | 67.3 | Low | 150 Ų | 150 | 74.8 Ų | 74.8 | 70% | 0.701 | 42% | 0.422 | S | S | * | . | trans | -74.2 | 82.5 | 172.5 | -62 | -76.4 | 0.8 | 0 | 0 | 109.8 | D295 S299 | D295-Q297 VanDerWaalsContact C-N 3.27Å; D295-Q297 PolarHBondContact OD1-N 3.26Å; Q297-S299 PolarHBondContact O-N 3.09Å | ||
| 298 | R | 45.7 | Very low | 66.1 | Low | 225 Ų | 225 | 83.1 Ų | 83.1 | 85% | 0.849 | 46% | 0.46 | S | S | * | . | trans | -57.9 | 105.7 | 161.3 | -72.2 | 179.6 | 178.5 | 178.5 | -0.5 | 107.9 | D296 | D296-R298 VanDerWaalsContact C-N 3.31Å; D296-R298 PolarHBondContact O-N 2.75Å | ||
| 299 | S | 38.3 | Very low | 65.6 | Low | 69 Ų | 69 | 84.7 Ų | 84.7 | 48% | 0.483 | 48% | 0.476 | S | S | . | . | trans | -68.2 | 135.7 | 150.5 | 63.3 | 0 | 0 | 0 | 0 | 106.7 | Q297 Q301 | Q297-S299 PolarHBondContact O-N 3.09Å; S299-Q301 PolarHBondContact O-N 3.09Å | ||
| 300 | D | 38.8 | Very low | 65.4 | Low | 174 Ų | 174 | 87.7 Ų | 87.7 | 93% | 0.93 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -60.8 | 12.1 | -179.8 | -95.4 | -25.9 | 0 | 0 | 0 | 114.5 | ||
| 301 | Q | 40.9 | Very low | 65.2 | Low | 161 Ų | 161 | 86.2 Ų | 86.2 | 75% | 0.752 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -114.7 | 112.8 | 174.6 | -62.5 | -179.3 | 25.5 | 0 | 0 | 106.4 | S299 G303 | S299-Q301 PolarHBondContact O-N 3.09Å; Q301-G303 PolarHBondContact O-N 2.9Å |
| 302 | G | 39.8 | Very low | 65.1 | Low | 101 Ų | 101 | 87.1 Ų | 87.1 | 100% | 1.041 | 49% | 0.486 | S | S | * | . | trans | -56.9 | 48.1 | -172 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 303 | G | 41.2 | Very low | 65.1 | Low | 52 Ų | 52 | 87 Ų | 87 | 54% | 0.536 | 49% | 0.485 | S | S | . | . | trans | -112.6 | 132.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q301 V305 | Q301-G303 PolarHBondContact O-N 2.9Å; G303-V305 PolarHBondContact O-N 3.06Å | ||
| 304 | I | 50 | Low | 65.1 | Low | 102 Ų | 102 | 87.6 Ų | 87.6 | 52% | 0.523 | 50% | 0.497 | S | S | . | . | trans | -69.5 | 109 | 171.7 | -62.6 | 167.1 | 0 | 0 | 0 | 107.2 | I292 L306 | I292-I304 HydrophobicContact CD1-CG2 4.15Å; I304-L306 PolarHBondContact O-N 3.15Å | ||
| 305 | V | 49 | Very low | 65.4 | Low | 82 Ų | 82 | 87.5 Ų | 87.5 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | trans | -69.5 | 115.2 | 171 | 179.9 | 0 | 0 | 0 | 0 | 107.6 | G303 S307 | G303-V305 PolarHBondContact O-N 3.06Å; V305-S307 PolarHBondContact O-N 2.88Å; V305-S307 VanDerWaalsContact O-N 3.08Å | ||
| 306 | L | 56.8 | Low | 66.2 | Low | 120 Ų | 120 | 84.6 Ų | 84.6 | 63% | 0.628 | 48% | 0.483 | S | S | * | . | B | Isolated β-bridge | trans | -71.6 | 101.8 | 176.1 | -67.7 | 172.8 | 0 | 0 | 0 | 108.8 | I292 I304 E308 | I292-L306 HydrophobicContact CG2-CD2 4.2Å; I304-L306 PolarHBondContact O-N 3.15Å; L306-E308 PolarHBondContact O-N 3.04Å |
| 307 | S | 60.2 | Low | 68 | Low | 47 Ų | 47 | 79.9 Ų | 79.9 | 33% | 0.329 | 46% | 0.457 | S | S | . | . | trans | -75.2 | 110.9 | 172.2 | -157.5 | 0 | 0 | 0 | 0 | 108.9 | S252 M293 V305 | S252-S307 WeakPolarHBondContact CB-O 3.28Å; S252-S307 PolarHBondContact OG-O 2.86Å; M293-S307 WeakPolarHBondContact CE-O 3.31Å; V305-S307 PolarHBondContact O-N 2.88Å; V305-S307 VanDerWaalsContact O-N 3.08Å | ||
| 308 | E | 72.3 | Confident | 70.2 | Confident | 189 Ų | 189 | 74.3 Ų | 74.3 | 88% | 0.883 | 43% | 0.432 | S | S | * | . | trans | -75.2 | 125.7 | 174.3 | -66.8 | -172.4 | 169.5 | 0 | 0 | 109.9 | L306 | L306-E308 PolarHBondContact O-N 3.04Š| ||
| 309 | G | 86.4 | Confident | 72.6 | Confident | 33 Ų | 33 | 63.6 Ų | 63.6 | 34% | 0.34 | 39% | 0.391 | S | S | . | . | S | Bend | trans | 162 | 173.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S251 S252 | S251-G309 WeakPolarHBondContact CA-O 3.42Å; S252-G309 PolarHBondContact N-O 2.94Å |
| 310 | F | 93.2 | Very high | 75.4 | Confident | 64 Ų | 64 | 62.6 Ų | 62.6 | 28% | 0.281 | 38% | 0.38 | S | S | . | . | B | Isolated β-bridge | trans | -76.7 | 139.3 | 171 | -64.3 | -63.2 | 0 | 0 | 0 | 110.6 | M243 A246 C249 S251 C312 | M243-F310 HydrophobicContact CB-CD2 4.29Å; M243-F310 HydrophobicContact CB-CE2 4.44Å; M243-F310 HydrophobicContact CG-CD2 4.1Å; M243-F310 HydrophobicContact SD-CD2 4.36Å; A246-F310 HydrophobicContact CB-CE1 4.23Å; A246-F310 HydrophobicContact CB-CZ 3.63Å; C249-F310 HydrophobicContact CB-CD1 3.33Å; C249-F310 HydrophobicContact CB-CE1 3.61Å; C249-F310 HydrophobicContact CB-CG 4Å; C249-F310 HydrophobicContact CB-CZ 4.47Å; S251-F310 WeakPolarHBondContact OG-CD1 3.44Å; S251-F310 WeakPolarHBondContact OG-CE1 3.48Å; F310-C312 PolarHBondContact O-N 3.08Å |
| 311 | I | 94.5 | Very high | 78.1 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 120.2 | 177.2 | -57.6 | -178.8 | 0 | 0 | 0 | 108.4 | I250 I291 M293 V317 I333 V349 | I250-I311 HydrophobicContact CG2-CD1 4.1Å; I250-I311 PolarHBondContact O-N 3.04Å; I291-I311 HydrophobicContact CB-CD1 4.18Å; I291-I311 HydrophobicContact CD1-CD1 3.45Å; I291-I311 VanDerWaalsContact CD1-CD1 3.45Å; I291-I311 HydrophobicContact CG1-CD1 3.53Å; I291-I311 HydrophobicContact CG2-CD1 3.66Å; M293-I311 HydrophobicContact CG-CD1 4.36Å; M293-I311 HydrophobicContact CG-CG1 3.75Å; M293-I311 HydrophobicContact SD-CB 4.39Å; M293-I311 HydrophobicContact SD-CG1 3.92Å; I311-V317 HydrophobicContact CD1-CG1 4.25Å; I311-V317 HydrophobicContact CG2-CG1 3.7Å; I311-I333 HydrophobicContact CG2-CG2 4.06Å; I311-V349 HydrophobicContact CG2-CG2 4.05Å; I311-V349 WeakPolarHBondContact O-CG2 3.2Å; I311-V349 PolarHBondContact O-N 3.14Å |
| 312 | C | 95.1 | Very high | 80.6 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 14% | 0.135 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -98.4 | 152.7 | 172 | -69.7 | 0 | 0 | 0 | 0 | 111.1 | F310 S315 E347 | F310-C312 PolarHBondContact O-N 3.08Å; C312-S315 PolarHBondContact N-OG 2.89Å; C312-S315 WeakPolarHBondContact O-CB 3.45Å; C312-S315 PolarHBondContact O-N 3.03Å; C312-S315 VanDerWaalsContact O-N 3.14Å; C312-S315 PolarHBondContact O-OG 3Å; C312-E347 CarbonylContact C-O 3.52Å; C312-E347 VanDerWaalsContact CA-O 3.3Å; C312-E347 WeakPolarHBondContact CA-O 3.18Å |
| 313 | Y | 95.9 | Very high | 82.9 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 2% | 0.02 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 142.3 | 166.1 | -68.9 | -70.1 | 0 | 0 | 0 | 110.6 | S315 I333 R334 K335 V345 E347 V349 H353 C355 | Y313-S315 VanDerWaalsContact C-N 3.32Å; Y313-I333 HydrophobicContact CD1-CG1 4.08Å; Y313-I333 HydrophobicContact CE1-CD1 4.5Å; Y313-I333 HydrophobicContact CE1-CG1 4.16Å; Y313-R334 VanDerWaalsContact CD1-C 3.46Å; Y313-K335 HydrophobicContact CD1-CB 3.72Å; Y313-K335 HydrophobicContact CD2-CB 3.99Å; Y313-K335 HydrophobicContact CD2-CD 4.23Å; Y313-K335 HydrophobicContact CD2-CG 4.42Å; Y313-K335 VanDerWaalsContact CE1-CA 3.42Å; Y313-K335 HydrophobicContact CE1-CB 3.69Å; Y313-K335 HydrophobicContact CE1-CG 4.24Å; Y313-K335 HydrophobicContact CE2-CB 3.98Å; Y313-K335 HydrophobicContact CE2-CD 3.92Å; Y313-K335 HydrophobicContact CE2-CG 4Å; Y313-K335 HydrophobicContact CG-CB 3.85Å; Y313-V345 CarbonylContact C-O 3.5Å; Y313-V345 VanDerWaalsContact C-O 3.31Å; Y313-V345 VanDerWaalsContact CB-O 3.23Å; Y313-V345 WeakPolarHBondContact CB-O 3.3Å; Y313-V345 HydrophobicContact CD2-CG1 3.93Å; Y313-V345 HydrophobicContact CG-CG1 4.22Å; Y313-E347 HydrophobicContact CD2-CG 3.59Å; Y313-E347 VanDerWaalsContact CD2-O 3.32Å; Y313-E347 WeakPolarHBondContact CD2-O 3.47Å; Y313-E347 HydrophobicContact CE2-CG 3.99Å; Y313-E347 PolarHBondContact N-O 2.8Å; Y313-V349 HydrophobicContact CD1-CG2 4.05Å; Y313-V349 HydrophobicContact CD2-CG2 4.26Å; Y313-V349 HydrophobicContact CE1-CG2 3.98Å; Y313-V349 HydrophobicContact CE2-CG2 4.19Å; Y313-V349 HydrophobicContact CG-CG2 4.21Å; Y313-H353 AromaticContact CE2-ND1 3.86Å; Y313-H353 AromaticContact CZ-ND1 3.84Å; Y313-H353 WeakPolarHBondContact OH-CB 3.26Å; Y313-H353 PolarHBondContact OH-ND1 3.03Å; Y313-C355 HydrophobicContact CE1-CB 4.08Å |
| 314 | G | 93.6 | Very high | 85.3 | Confident | 35 Ų | 35 | 52.1 Ų | 52.1 | 36% | 0.361 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | -12.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V332 I333 | G314-V332 WeakPolarHBondContact O-CG1 3.45Å; G314-I333 PolarHBondContact N-O 3.34Å |
| 315 | S | 94.3 | Very high | 87.3 | Confident | 30 Ų | 30 | 49.6 Ų | 49.6 | 21% | 0.21 | 29% | 0.294 | C | S | . | . | trans | -71.7 | 147.8 | 175.7 | -49.1 | 0 | 0 | 0 | 0 | 111.9 | C312 Y313 V332 I333 | C312-S315 PolarHBondContact N-OG 2.89Å; C312-S315 WeakPolarHBondContact O-CB 3.45Å; C312-S315 PolarHBondContact O-N 3.03Å; C312-S315 VanDerWaalsContact O-N 3.14Å; C312-S315 PolarHBondContact O-OG 3Å; Y313-S315 VanDerWaalsContact C-N 3.32Å; S315-V332 WeakPolarHBondContact O-CA 3.29Å; S315-I333 PolarHBondContact O-N 3Å; S315-I333 VanDerWaalsContact O-N 3.13Å | ||
| 316 | V | 95.3 | Very high | 89.4 | Confident | 17 Ų | 17 | 48 Ų | 48 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 124.1 | 167.9 | -174.7 | 0 | 0 | 0 | 0 | 108.6 | V294 P330 V332 | V294-V316 HydrophobicContact CB-CB 4.42Å; V294-V316 HydrophobicContact CB-CG1 4.01Å; V294-V316 PolarHBondContact N-O 2.81Å; V316-P330 HydrophobicContact CG1-CB 3.87Å; V316-V332 HydrophobicContact CG2-CG2 4.22Å |
| 317 | V | 96.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 151 | -179.8 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | I291 I292 I311 F319 M331 I333 | I291-V317 HydrophobicContact CD1-CB 4.13Å; I291-V317 HydrophobicContact CD1-CG1 4.18Å; I291-V317 HydrophobicContact CD1-CG2 4.27Å; I291-V317 HydrophobicContact CG1-CB 4.01Å; I291-V317 HydrophobicContact CG1-CG1 4.28Å; I292-V317 CarbonylContact O-C 3.57Å; I292-V317 VanDerWaalsContact O-CA 3.23Å; I292-V317 WeakPolarHBondContact O-CA 3.32Å; I311-V317 HydrophobicContact CD1-CG1 4.25Å; I311-V317 HydrophobicContact CG2-CG1 3.7Å; V317-F319 HydrophobicContact CG2-CE2 3.89Å; V317-F319 HydrophobicContact CG2-CZ 4.3Å; V317-M331 WeakPolarHBondContact CG2-O 3.34Å; V317-M331 PolarHBondContact N-O 3.32Å; V317-M331 PolarHBondContact O-N 2.91Å; V317-I333 HydrophobicContact CG1-CG2 4.25Å; V317-I333 HydrophobicContact CG2-CB 4.15Å; V317-I333 HydrophobicContact CG2-CG2 4.44Å |
| 318 | Q | 96.2 | Very high | 92.9 | Very high | 34 Ų | 34 | 42 Ų | 42 | 16% | 0.159 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 139.6 | 171.2 | -162.8 | 178.1 | 17.9 | 0 | 0 | 110 | I291 I292 V294 A327 L328 | I291-Q318 WeakPolarHBondContact CA-O 3.36Å; I292-Q318 HydrophobicContact CD1-CB 4.09Å; I292-Q318 HydrophobicContact CG1-CB 3.75Å; I292-Q318 WeakPolarHBondContact CG1-O 3.33Å; I292-Q318 PolarHBondContact N-O 2.84Å; I292-Q318 PolarHBondContact O-N 3.17Å; V294-Q318 HydrophobicContact CG2-CB 3.85Å; Q318-A327 HydrophobicContact CG-CB 4.45Å; Q318-L328 WeakPolarHBondContact CG-O 3.33Å; Q318-L328 PolarHBondContact NE2-O 2.97Å; Q318-L328 VanDerWaalsContact NE2-O 3.16Å |
| 319 | F | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123.9 | 177.4 | -65.9 | -90.2 | 0 | 0 | 0 | 109.4 | V256 L258 F289 I291 V317 A327 L328 M331 F357 | V256-F319 HydrophobicContact CG2-CD1 4.03Å; V256-F319 HydrophobicContact CG2-CE1 3.7Å; L258-F319 HydrophobicContact CD1-CD1 4.26Å; L258-F319 HydrophobicContact CD1-CE1 3.83Å; L258-F319 HydrophobicContact CD1-CE2 4.43Å; L258-F319 HydrophobicContact CD1-CZ 3.95Å; L258-F319 HydrophobicContact CD2-CE1 4.42Å; L258-F319 HydrophobicContact CG-CE1 4.29Å; F289-F319 HydrophobicContact CB-CB 4.16Å; F289-F319 HydrophobicContact CB-CD1 3.95Å; F289-F319 HydrophobicContact CD1-CB 4.3Å; F289-F319 HydrophobicContact CG-CB 4.38Å; I291-F319 HydrophobicContact CB-CD1 4.28Å; I291-F319 HydrophobicContact CB-CE1 4.16Å; I291-F319 HydrophobicContact CD1-CD1 4.48Å; I291-F319 HydrophobicContact CD1-CE1 3.63Å; I291-F319 HydrophobicContact CD1-CZ 3.62Å; I291-F319 HydrophobicContact CG1-CD1 4.32Å; I291-F319 HydrophobicContact CG1-CE1 3.94Å; I291-F319 HydrophobicContact CG1-CZ 4.17Å; V317-F319 HydrophobicContact CG2-CE2 3.89Å; V317-F319 HydrophobicContact CG2-CZ 4.3Å; F319-A327 CarbonylContact O-C 3.55Å; F319-A327 WeakPolarHBondContact O-CA 3.41Å; F319-L328 HydrophobicContact CB-CB 4.39Å; F319-L328 HydrophobicContact CB-CD1 4.23Å; F319-L328 HydrophobicContact CD2-CD1 4.43Å; F319-L328 PolarHBondContact O-N 2.91Å; F319-M331 HydrophobicContact CD2-CE 3.81Å; F319-M331 HydrophobicContact CE2-CE 4.14Å; F319-F357 AromaticContact CE2-CD1 3.71Å; F319-F357 HydrophobicContact CE2-CD1 3.71Å; F319-F357 AromaticContact CE2-CE1 3.51Å; F319-F357 HydrophobicContact CE2-CE1 3.51Å; F319-F357 HydrophobicContact CE2-CG 4.4Å; F319-F357 HydrophobicContact CE2-CZ 4.04Å; F319-F357 HydrophobicContact CZ-CD1 4.02Å; F319-F357 AromaticContact CZ-CE1 3.31Å; F319-F357 HydrophobicContact CZ-CE1 3.31Å; F319-F357 HydrophobicContact CZ-CE2 4.46Å; F319-F357 AromaticContact CZ-CZ 3.57Å; F319-F357 HydrophobicContact CZ-CZ 3.57Å |
| 320 | I | 96.4 | Very high | 94.4 | Very high | 47 Ų | 47 | 35.2 Ų | 35.2 | 24% | 0.241 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 123 | 179.3 | -55.2 | 173.1 | 0 | 0 | 0 | 108.2 | F289 T290 I292 T322 A327 | F289-I320 CarbonylContact C-O 3.52Å; F289-I320 VanDerWaalsContact CA-O 3.26Å; F289-I320 WeakPolarHBondContact CA-O 3.16Å; T290-I320 PolarHBondContact N-O 2.78Å; T290-I320 PolarHBondContact O-N 2.84Å; I292-I320 HydrophobicContact CD1-CD1 3.61Å; I292-I320 HydrophobicContact CD1-CG1 4.46Å; I292-I320 HydrophobicContact CG1-CD1 4.19Å; I320-T322 PolarHBondContact O-N 2.88Å; I320-A327 HydrophobicContact CG1-CB 4.01Å |
| 321 | C | 95.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 3% | 0.027 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 124.9 | 176.5 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | V274 T287 F289 E323 S324 G325 V326 | V274-C321 HydrophobicContact CG2-CB 3.92Å; T287-C321 HydrophobicContact CG2-CB 4.39Å; T287-C321 WeakPolarHBondContact CG2-SG 3.32Å; F289-C321 HydrophobicContact CD1-CB 4.21Å; F289-C321 HydrophobicContact CE1-CB 4.03Å; C321-E323 PolarHBondContact O-N 2.78Å; C321-S324 WeakPolarHBondContact CB-OG 3.36Å; C321-S324 PolarHBondContact SG-N 3.41Å; C321-S324 VanDerWaalsContact SG-N 3.44Å; C321-S324 PolarHBondContact SG-OG 2.65Å; C321-G325 WeakPolarHBondContact O-CA 3.37Å; C321-G325 PolarHBondContact O-N 2.77Å; C321-V326 VanDerWaalsContact CB-O 3.3Å; C321-V326 WeakPolarHBondContact CB-O 3.29Å; C321-V326 PolarHBondContact N-O 3.25Å |
| 322 | T | 93.2 | Very high | 94.6 | Very high | 57 Ų | 57 | 32.9 Ų | 32.9 | 35% | 0.35 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -23.3 | -176.1 | 56.7 | 0 | 0 | 0 | 0 | 113.6 | K255 A288 I320 | K255-T322 HydrophobicContact CD-CG2 4.06Å; K255-T322 HydrophobicContact CG-CG2 4.04Å; A288-T322 HydrophobicContact CB-CG2 4.13Å; A288-T322 WeakPolarHBondContact O-CG2 3.47Å; A288-T322 PolarHBondContact O-N 3.24Å; A288-T322 VanDerWaalsContact O-N 3.09Å; A288-T322 PolarHBondContact O-OG1 2.92Å; A288-T322 VanDerWaalsContact O-OG1 3.09Å; I320-T322 PolarHBondContact O-N 2.88Å |
| 323 | E | 88.9 | Confident | 94.7 | Very high | 149 Ų | 149 | 32 Ų | 32 | 70% | 0.696 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -48.9 | -177.2 | -174.5 | 179.6 | 178.6 | 0 | 0 | 112.3 | C321 | C321-E323 PolarHBondContact O-N 2.78Š|
| 324 | S | 90 | Very high | 94.7 | Very high | 59 Ų | 59 | 33.9 Ų | 33.9 | 41% | 0.413 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -14.4 | -174.3 | 65.7 | 0 | 0 | 0 | 0 | 114.5 | C321 V326 | C321-S324 WeakPolarHBondContact CB-OG 3.36Å; C321-S324 PolarHBondContact SG-N 3.41Å; C321-S324 VanDerWaalsContact SG-N 3.44Å; C321-S324 PolarHBondContact SG-OG 2.65Å; S324-V326 PolarHBondContact O-N 2.89Å; S324-V326 VanDerWaalsContact O-N 3.14Å; S324-V326 PolarHBondContact OG-N 3.19Å |
| 325 | G | 92.1 | Very high | 94.8 | Very high | 49 Ų | 49 | 34.2 Ų | 34.2 | 51% | 0.505 | 21% | 0.205 | S | C | . | . | trans | 71 | -4.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | C321 A327 | C321-G325 WeakPolarHBondContact O-CA 3.37Å; C321-G325 PolarHBondContact O-N 2.77Å; G325-A327 PolarHBondContact O-N 3.16Å | ||
| 326 | V | 93.8 | Very high | 94.8 | Very high | 48 Ų | 48 | 33.3 Ų | 33.3 | 29% | 0.291 | 20% | 0.198 | S | C | . | . | trans | -65.2 | 133.2 | 177.7 | -179.2 | 0 | 0 | 0 | 0 | 110 | F279 C321 S324 | F279-V326 HydrophobicContact CE2-CG1 3.66Å; F279-V326 HydrophobicContact CZ-CG1 3.79Å; C321-V326 VanDerWaalsContact CB-O 3.3Å; C321-V326 WeakPolarHBondContact CB-O 3.29Å; C321-V326 PolarHBondContact N-O 3.25Å; S324-V326 PolarHBondContact O-N 2.89Å; S324-V326 VanDerWaalsContact O-N 3.14Å; S324-V326 PolarHBondContact OG-N 3.19Å | ||
| 327 | A | 95.2 | Very high | 94.6 | Very high | 39 Ų | 39 | 36.6 Ų | 36.6 | 32% | 0.322 | 22% | 0.215 | S | C | . | . | B | Isolated β-bridge | trans | -114.1 | 144.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q318 F319 I320 G325 | Q318-A327 HydrophobicContact CG-CB 4.45Å; F319-A327 CarbonylContact O-C 3.55Å; F319-A327 WeakPolarHBondContact O-CA 3.41Å; I320-A327 HydrophobicContact CG1-CB 4.01Å; G325-A327 PolarHBondContact O-N 3.16Å |
| 328 | L | 95.2 | Very high | 94.1 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -74.1 | 156.4 | 164.8 | -76.6 | 170.7 | 0 | 0 | 0 | 110 | L272 F279 Q318 F319 M331 L367 | L272-L328 HydrophobicContact CD2-CD1 3.94Å; F279-L328 HydrophobicContact CD1-CD1 4.34Å; F279-L328 HydrophobicContact CD1-CD2 3.84Å; F279-L328 HydrophobicContact CD1-CG 3.94Å; F279-L328 HydrophobicContact CD2-CD2 3.59Å; F279-L328 HydrophobicContact CD2-CG 4.32Å; F279-L328 HydrophobicContact CE1-CD1 4.18Å; F279-L328 HydrophobicContact CE1-CD2 3.87Å; F279-L328 HydrophobicContact CE1-CG 3.55Å; F279-L328 HydrophobicContact CE2-CD2 3.62Å; F279-L328 HydrophobicContact CE2-CG 3.96Å; F279-L328 HydrophobicContact CG-CD2 3.71Å; F279-L328 HydrophobicContact CG-CG 4.32Å; F279-L328 HydrophobicContact CZ-CB 4.36Å; F279-L328 HydrophobicContact CZ-CD2 3.78Å; F279-L328 HydrophobicContact CZ-CG 3.57Å; Q318-L328 WeakPolarHBondContact CG-O 3.33Å; Q318-L328 PolarHBondContact NE2-O 2.97Å; Q318-L328 VanDerWaalsContact NE2-O 3.16Å; F319-L328 HydrophobicContact CB-CB 4.39Å; F319-L328 HydrophobicContact CB-CD1 4.23Å; F319-L328 HydrophobicContact CD2-CD1 4.43Å; F319-L328 PolarHBondContact O-N 2.91Å; L328-M331 HydrophobicContact CB-CE 3.74Å; L328-M331 HydrophobicContact CD1-CE 3.89Å; L328-M331 HydrophobicContact CG-CE 4.37Å; L328-L367 HydrophobicContact CD1-CD2 4.15Å; L328-L367 HydrophobicContact CD2-CD1 4.45Å |
| 329 | P | 94.6 | Very high | 93.6 | Very high | 46 Ų | 46 | 47 Ų | 47 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 153.7 | 169.8 | -25.1 | 35.8 | 0 | 0 | 0 | 112 | M331 F359 | P329-M331 WeakPolarHBondContact O-CE 3.37Å; P329-M331 WeakPolarHBondContact O-CG 3.28Å; P329-M331 PolarHBondContact O-N 2.8Å; P329-F359 HydrophobicContact CB-CD1 4.14Å; P329-F359 HydrophobicContact CB-CE1 4.12Å; P329-F359 HydrophobicContact CG-CD1 4.49Å; P329-F359 HydrophobicContact CG-CE1 4.03Å |
| 330 | P | 95.4 | Very high | 93.3 | Very high | 33 Ų | 33 | 50.1 Ų | 50.1 | 21% | 0.214 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -59 | 132.4 | 173.9 | -23.2 | 34 | 0 | 0 | 0 | 111.7 | V316 R360 | V316-P330 HydrophobicContact CG1-CB 3.87Å; P330-R360 HydrophobicContact CB-CB 4.35Å; P330-R360 VanDerWaalsContact O-CB 3.3Å; P330-R360 WeakPolarHBondContact O-CB 3.37Å; P330-R360 PolarHBondContact O-N 3.46Å; P330-R360 VanDerWaalsContact O-N 3.12Å |
| 331 | M | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 146.2 | -176.3 | -69.2 | 171.4 | -69.7 | 0 | 0 | 111 | V317 F319 L328 P329 F357 Q358 F359 L367 | V317-M331 WeakPolarHBondContact CG2-O 3.34Å; V317-M331 PolarHBondContact N-O 3.32Å; V317-M331 PolarHBondContact O-N 2.91Å; F319-M331 HydrophobicContact CD2-CE 3.81Å; F319-M331 HydrophobicContact CE2-CE 4.14Å; L328-M331 HydrophobicContact CB-CE 3.74Å; L328-M331 HydrophobicContact CD1-CE 3.89Å; L328-M331 HydrophobicContact CG-CE 4.37Å; P329-M331 WeakPolarHBondContact O-CE 3.37Å; P329-M331 WeakPolarHBondContact O-CG 3.28Å; P329-M331 PolarHBondContact O-N 2.8Å; M331-F357 HydrophobicContact CB-CB 4.01Å; M331-F357 HydrophobicContact CE-CB 4.27Å; M331-F357 HydrophobicContact CG-CB 4.3Å; M331-F357 HydrophobicContact SD-CB 3.55Å; M331-F357 VanDerWaalsContact SD-CB 3.55Å; M331-F357 HydrophobicContact SD-CG 4.49Å; M331-Q358 CarbonylContact C-O 3.52Å; M331-Q358 WeakPolarHBondContact CA-O 3.37Å; M331-Q358 VanDerWaalsContact CB-O 3.3Å; M331-Q358 WeakPolarHBondContact CB-O 3.25Å; M331-F359 HydrophobicContact CG-CD1 4.05Å; M331-F359 HydrophobicContact CG-CE1 4.33Å; M331-F359 HydrophobicContact CG-CG 4.41Å; M331-F359 HydrophobicContact SD-CD1 4.42Å; M331-F359 HydrophobicContact SD-CE1 4.13Å; M331-F359 HydrophobicContact SD-CZ 4.32Å; M331-L367 HydrophobicContact CE-CD2 4.46Å; M331-L367 HydrophobicContact SD-CB 3.97Å; M331-L367 HydrophobicContact SD-CD2 4.36Å |
| 332 | V | 96.1 | Very high | 93 | Very high | 17 Ų | 17 | 49 Ų | 49 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 122.3 | 171.1 | -172.4 | 0 | 0 | 0 | 0 | 109.3 | G314 S315 V316 R334 Q358 | G314-V332 WeakPolarHBondContact O-CG1 3.45Å; S315-V332 WeakPolarHBondContact O-CA 3.29Å; V316-V332 HydrophobicContact CG2-CG2 4.22Å; V332-R334 PolarHBondContact O-N 3.11Å; V332-Q358 HydrophobicContact CB-CB 4.3Å; V332-Q358 PolarHBondContact N-O 2.82Å; V332-Q358 PolarHBondContact O-N 2.85Å |
| 333 | I | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 121.9 | 175.6 | -175.7 | 165.9 | 0 | 0 | 0 | 110.4 | I311 Y313 G314 S315 V317 V349 C355 F357 I399 | I311-I333 HydrophobicContact CG2-CG2 4.06Å; Y313-I333 HydrophobicContact CD1-CG1 4.08Å; Y313-I333 HydrophobicContact CE1-CD1 4.5Å; Y313-I333 HydrophobicContact CE1-CG1 4.16Å; G314-I333 PolarHBondContact N-O 3.34Å; S315-I333 PolarHBondContact O-N 3Å; S315-I333 VanDerWaalsContact O-N 3.13Å; V317-I333 HydrophobicContact CG1-CG2 4.25Å; V317-I333 HydrophobicContact CG2-CB 4.15Å; V317-I333 HydrophobicContact CG2-CG2 4.44Å; I333-V349 HydrophobicContact CD1-CB 4.47Å; I333-V349 HydrophobicContact CD1-CG1 3.99Å; I333-V349 HydrophobicContact CD1-CG2 3.71Å; I333-V349 HydrophobicContact CG1-CG2 4.39Å; I333-V349 HydrophobicContact CG2-CG2 4.43Å; I333-C355 HydrophobicContact CD1-CB 4.15Å; I333-C355 HydrophobicContact CG1-CB 4.01Å; I333-F357 HydrophobicContact CB-CD1 4.32Å; I333-F357 HydrophobicContact CB-CE1 4.21Å; I333-F357 HydrophobicContact CD1-CE1 3.84Å; I333-F357 HydrophobicContact CD1-CZ 4.45Å; I333-F357 HydrophobicContact CG1-CD1 4.36Å; I333-F357 HydrophobicContact CG1-CE1 3.9Å; I333-I399 HydrophobicContact CD1-CD1 4.39Å |
| 334 | R | 96.1 | Very high | 92.7 | Very high | 46 Ų | 46 | 46.9 Ų | 46.9 | 17% | 0.174 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 142.7 | -179 | -61 | -60.9 | -173.4 | -178.6 | -5.3 | 111.3 | Y313 V332 A341 L343 C355 A356 Q358 | Y313-R334 VanDerWaalsContact CD1-C 3.46Å; V332-R334 PolarHBondContact O-N 3.11Å; R334-A341 HydrophobicContact CB-CB 4.25Å; R334-L343 HydrophobicContact CG-CD2 4.29Å; R334-L343 PolarHBondContact NH1-O 3.18Å; R334-C355 CarbonylContact O-C 3.53Å; R334-C355 WeakPolarHBondContact O-CA 3.35Å; R334-C355 WeakPolarHBondContact O-CB 3.46Å; R334-A356 PolarHBondContact N-O 2.83Å; R334-A356 PolarHBondContact O-N 2.9Å; R334-Q358 HydrophobicContact CG-CB 4.36Å |
| 335 | K | 95.6 | Very high | 92.7 | Very high | 42 Ų | 42 | 45.2 Ų | 45.2 | 18% | 0.183 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 134.1 | 177.1 | -172.7 | 170.8 | 178.4 | 178.9 | 0 | 109.7 | Y313 A341 I342 V345 E347 | Y313-K335 HydrophobicContact CD1-CB 3.72Å; Y313-K335 HydrophobicContact CD2-CB 3.99Å; Y313-K335 HydrophobicContact CD2-CD 4.23Å; Y313-K335 HydrophobicContact CD2-CG 4.42Å; Y313-K335 VanDerWaalsContact CE1-CA 3.42Å; Y313-K335 HydrophobicContact CE1-CB 3.69Å; Y313-K335 HydrophobicContact CE1-CG 4.24Å; Y313-K335 HydrophobicContact CE2-CB 3.98Å; Y313-K335 HydrophobicContact CE2-CD 3.92Å; Y313-K335 HydrophobicContact CE2-CG 4Å; Y313-K335 HydrophobicContact CG-CB 3.85Å; K335-A341 WeakPolarHBondContact O-CA 3.44Å; K335-I342 PolarHBondContact O-N 3.22Å; K335-V345 HydrophobicContact CB-CB 4.38Å; K335-V345 HydrophobicContact CB-CG1 4.28Å; K335-V345 HydrophobicContact CB-CG2 4.32Å; K335-V345 HydrophobicContact CD-CG1 3.92Å; K335-V345 HydrophobicContact CD-CG2 4.4Å; K335-E347 WeakPolarHBondContact CD-OE1 2.95Å; K335-E347 WeakPolarHBondContact CE-OE1 3.05Å; K335-E347 VanDerWaalsContact NZ-CD 3.34Å; K335-E347 IonicContact NZ-OE1 2.76Å; K335-E347 PolarHBondContact NZ-OE1 3.3Å; K335-E347 IonicContact NZ-OE2 3.4Å; K335-E347 PolarHBondContact NZ-OE2 2.89Å |
| 336 | V | 94.1 | Very high | 92.6 | Very high | 10 Ų | 10 | 48.2 Ų | 48.2 | 6% | 0.061 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 126.8 | 177.4 | 175.5 | 0 | 0 | 0 | 0 | 110.3 | K338 H340 K354 C355 A356 L391 C396 | V336-K338 WeakPolarHBondContact CG1-O 3.3Å; V336-H340 WeakPolarHBondContact CA-O 3.23Å; V336-K354 HydrophobicContact CB-CB 4.05Å; V336-K354 HydrophobicContact CG1-CB 4.42Å; V336-K354 PolarHBondContact N-O 2.8Å; V336-C355 VanDerWaalsContact CG2-C 3.42Å; V336-A356 HydrophobicContact CG2-CB 3.59Å; V336-L391 HydrophobicContact CG2-CD1 3.9Å; V336-C396 HydrophobicContact CG1-CB 4.48Å |
| 337 | N | 90.6 | Very high | 92.5 | Very high | 87 Ų | 87 | 46.5 Ų | 46.5 | 47% | 0.465 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 117.8 | 168 | -170.1 | -1.1 | 0 | 0 | 0 | 109.4 | Q339 H340 I342 | N337-Q339 PolarHBondContact O-N 2.86Å; N337-H340 PolarHBondContact N-O 3.24Å; N337-H340 PolarHBondContact O-N 2.92Å; N337-I342 HydrophobicContact CB-CD1 3.87Å |
| 338 | K | 85.6 | Confident | 92.5 | Very high | 168 Ų | 168 | 44.9 Ų | 44.9 | 73% | 0.73 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | -101.1 | -168.5 | -55.5 | 176.5 | -179 | 179.3 | 0 | 110.6 | V336 | V336-K338 WeakPolarHBondContact CG1-O 3.3Š|
| 339 | Q | 87 | Confident | 92.5 | Very high | 85 Ų | 85 | 44.8 Ų | 44.8 | 40% | 0.397 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 15.1 | 178.9 | -71.1 | 173.2 | -30.9 | 0 | 0 | 112.1 | N337 L391 D393 | N337-Q339 PolarHBondContact O-N 2.86Å; Q339-L391 PolarHBondContact O-N 2.88Å; Q339-D393 WeakPolarHBondContact CG-OD1 3.34Å; Q339-D393 PolarHBondContact NE2-OD1 3.04Å |
| 340 | H | 90.8 | Very high | 92.5 | Very high | 65 Ų | 65 | 42.7 Ų | 42.7 | 30% | 0.301 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 124.5 | -178.6 | -60.5 | 71.8 | 0 | 0 | 0 | 109.7 | V336 N337 V389 | V336-H340 WeakPolarHBondContact CA-O 3.23Å; N337-H340 PolarHBondContact N-O 3.24Å; N337-H340 PolarHBondContact O-N 2.92Å; H340-V389 CarbonylContact C-O 3.54Å; H340-V389 VanDerWaalsContact CA-O 3.3Å; H340-V389 WeakPolarHBondContact CA-O 3.31Å |
| 341 | A | 92.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 128.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | R334 K335 Y366 R388 V389 L391 | R334-A341 HydrophobicContact CB-CB 4.25Å; K335-A341 WeakPolarHBondContact O-CA 3.44Å; A341-Y366 HydrophobicContact CB-CE1 4.37Å; A341-R388 VanDerWaalsContact O-CA 3.28Å; A341-R388 WeakPolarHBondContact O-CA 3.39Å; A341-V389 HydrophobicContact CB-CB 4.39Å; A341-V389 PolarHBondContact N-O 3.26Å; A341-V389 PolarHBondContact O-N 2.86Å; A341-L391 HydrophobicContact CB-CD1 3.76Å; A341-L391 HydrophobicContact CB-CD2 4.34Å; A341-L391 HydrophobicContact CB-CG 4.04Å |
| 342 | I | 92.3 | Very high | 92.5 | Very high | 27 Ų | 27 | 42.9 Ų | 42.9 | 14% | 0.138 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.8 | 174.7 | -45.8 | 173.9 | 0 | 0 | 0 | 107.2 | K335 N337 V345 | K335-I342 PolarHBondContact O-N 3.22Å; N337-I342 HydrophobicContact CB-CD1 3.87Å; I342-V345 HydrophobicContact CB-CG2 3.75Å; I342-V345 HydrophobicContact CG2-CG2 3.45Å; I342-V345 VanDerWaalsContact CG2-CG2 3.45Å |
| 343 | L | 89.6 | Confident | 92.5 | Very high | 35 Ų | 35 | 42.7 Ų | 42.7 | 18% | 0.183 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -84.9 | -35 | -173.6 | -57.9 | -176.6 | 0 | 0 | 0 | 112.3 | R334 V345 S387 V389 | R334-L343 HydrophobicContact CG-CD2 4.29Å; R334-L343 PolarHBondContact NH1-O 3.18Å; L343-V345 VanDerWaalsContact C-N 3.34Å; L343-V345 PolarHBondContact O-N 2.93Å; L343-S387 PolarHBondContact N-O 2.88Å; L343-V389 HydrophobicContact CD1-CG2 4.09Å; L343-V389 HydrophobicContact CD2-CG2 4.4Å; L343-V389 HydrophobicContact CG-CG2 4.45Å |
| 344 | D | 87.6 | Confident | 92.4 | Very high | 126 Ų | 126 | 47.4 Ų | 47.4 | 67% | 0.674 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -95 | 53.3 | -172.7 | -52.6 | -38.4 | 0 | 0 | 0 | 112.2 | S387 | D344-S387 WeakPolarHBondContact OD2-CB 3.45Š|
| 345 | V | 89.6 | Confident | 92.4 | Very high | 24 Ų | 24 | 45.2 Ų | 45.2 | 15% | 0.145 | 22% | 0.222 | C | C | . | . | trans | -122.4 | 118.3 | 179.3 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | Y313 K335 I342 L343 E347 | Y313-V345 CarbonylContact C-O 3.5Å; Y313-V345 VanDerWaalsContact C-O 3.31Å; Y313-V345 VanDerWaalsContact CB-O 3.23Å; Y313-V345 WeakPolarHBondContact CB-O 3.3Å; Y313-V345 HydrophobicContact CD2-CG1 3.93Å; Y313-V345 HydrophobicContact CG-CG1 4.22Å; K335-V345 HydrophobicContact CB-CB 4.38Å; K335-V345 HydrophobicContact CB-CG1 4.28Å; K335-V345 HydrophobicContact CB-CG2 4.32Å; K335-V345 HydrophobicContact CD-CG1 3.92Å; K335-V345 HydrophobicContact CD-CG2 4.4Å; I342-V345 HydrophobicContact CB-CG2 3.75Å; I342-V345 HydrophobicContact CG2-CG2 3.45Å; I342-V345 VanDerWaalsContact CG2-CG2 3.45Å; L343-V345 VanDerWaalsContact C-N 3.34Å; L343-V345 PolarHBondContact O-N 2.93Å; V345-E347 HydrophobicContact CG1-CB 4.43Å; V345-E347 HydrophobicContact CG1-CG 3.63Å | ||
| 346 | D | 89.4 | Confident | 92.5 | Very high | 112 Ų | 112 | 43.2 Ų | 43.2 | 60% | 0.599 | 21% | 0.213 | S | C | * | . | trans | -117.6 | 83.6 | 170.8 | -178.7 | 22.4 | 0 | 0 | 0 | 109.5 | R240 | R240-D346 PolarHBondContact NH2-O 3.36Š| ||
| 347 | E | 92.6 | Very high | 92.6 | Very high | 12 Ų | 12 | 42.7 Ų | 42.7 | 6% | 0.056 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -142.8 | 154.9 | 172.6 | 71.4 | -179 | -149.3 | 0 | 0 | 110.3 | R240 C312 Y313 K335 V345 V349 | R240-E347 WeakPolarHBondContact CA-OE2 3.11Å; R240-E347 WeakPolarHBondContact CB-OE2 3.46Å; R240-E347 HydrophobicContact CG-CB 3.87Å; R240-E347 VanDerWaalsContact CG-OE2 3.28Å; R240-E347 WeakPolarHBondContact CG-OE2 3.46Å; C312-E347 CarbonylContact C-O 3.52Å; C312-E347 VanDerWaalsContact CA-O 3.3Å; C312-E347 WeakPolarHBondContact CA-O 3.18Å; Y313-E347 HydrophobicContact CD2-CG 3.59Å; Y313-E347 VanDerWaalsContact CD2-O 3.32Å; Y313-E347 WeakPolarHBondContact CD2-O 3.47Å; Y313-E347 HydrophobicContact CE2-CG 3.99Å; Y313-E347 PolarHBondContact N-O 2.8Å; K335-E347 WeakPolarHBondContact CD-OE1 2.95Å; K335-E347 WeakPolarHBondContact CE-OE1 3.05Å; K335-E347 VanDerWaalsContact NZ-CD 3.34Å; K335-E347 IonicContact NZ-OE1 2.76Å; K335-E347 PolarHBondContact NZ-OE1 3.3Å; K335-E347 IonicContact NZ-OE2 3.4Å; K335-E347 PolarHBondContact NZ-OE2 2.89Å; V345-E347 HydrophobicContact CG1-CB 4.43Å; V345-E347 HydrophobicContact CG1-CG 3.63Å; E347-V349 PolarHBondContact O-N 2.75Å |
| 348 | P | 94.5 | Very high | 92.9 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.032 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -59.8 | 137.2 | 175.9 | -22.7 | 32.6 | 0 | 0 | 0 | 112.3 | Q241 M243 S350 | Q241-P348 HydrophobicContact CB-CB 4.37Å; Q241-P348 WeakPolarHBondContact CB-O 3.23Å; Q241-P348 HydrophobicContact CG-CB 4.2Å; Q241-P348 WeakPolarHBondContact O-CD 3.45Å; M243-P348 HydrophobicContact CG-CG 3.46Å; M243-P348 VanDerWaalsContact CG-CG 3.46Å; P348-S350 PolarHBondContact O-N 3.08Å |
| 349 | V | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -70.1 | 128.5 | 172.6 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | C249 I250 I311 Y313 I333 E347 I399 | C249-V349 WeakPolarHBondContact CA-O 3.5Å; I250-V349 HydrophobicContact CD1-CG1 3.87Å; I250-V349 HydrophobicContact CG1-CG1 4.42Å; I250-V349 PolarHBondContact N-O 2.91Å; I311-V349 HydrophobicContact CG2-CG2 4.05Å; I311-V349 WeakPolarHBondContact O-CG2 3.2Å; I311-V349 PolarHBondContact O-N 3.14Å; Y313-V349 HydrophobicContact CD1-CG2 4.05Å; Y313-V349 HydrophobicContact CD2-CG2 4.26Å; Y313-V349 HydrophobicContact CE1-CG2 3.98Å; Y313-V349 HydrophobicContact CE2-CG2 4.19Å; Y313-V349 HydrophobicContact CG-CG2 4.21Å; I333-V349 HydrophobicContact CD1-CB 4.47Å; I333-V349 HydrophobicContact CD1-CG1 3.99Å; I333-V349 HydrophobicContact CD1-CG2 3.71Å; I333-V349 HydrophobicContact CG1-CG2 4.39Å; I333-V349 HydrophobicContact CG2-CG2 4.43Å; E347-V349 PolarHBondContact O-N 2.75Å; V349-I399 HydrophobicContact CG1-CG2 3.77Å | ||
| 350 | S | 95.4 | Very high | 93.6 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | B | Isolated β-bridge | trans | -111.3 | 159.3 | -176.4 | -162.2 | 0 | 0 | 0 | 0 | 112.3 | Q241 L248 P348 L352 H353 | Q241-S350 PolarHBondContact OE1-OG 3.1Å; Q241-S350 VanDerWaalsContact OE1-OG 3.09Å; L248-S350 CarbonylContact O-C 3.52Å; L248-S350 WeakPolarHBondContact O-CA 3.19Å; L248-S350 PolarHBondContact O-OG 2.86Å; P348-S350 PolarHBondContact O-N 3.08Å; S350-L352 PolarHBondContact O-N 2.92Å; S350-H353 WeakPolarHBondContact CB-CE1 2.92Å; S350-H353 WeakPolarHBondContact CB-NE2 3.47Å; S350-H353 PolarHBondContact N-ND1 2.93Å; S350-H353 VanDerWaalsContact O-CB 3.32Å; S350-H353 WeakPolarHBondContact O-CB 3.4Å; S350-H353 PolarHBondContact O-N 3.12Å |
| 351 | Q | 95.6 | Very high | 93.6 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 134.1 | 176 | -57.2 | -60.6 | -30.6 | 0 | 0 | 111.8 | V116 L248 H353 | V116-Q351 HydrophobicContact CG1-CB 4.37Å; V116-Q351 HydrophobicContact CG1-CG 3.88Å; V116-Q351 HydrophobicContact CG2-CB 3.83Å; V116-Q351 HydrophobicContact CG2-CG 4.14Å; L248-Q351 HydrophobicContact CD2-CG 4.25Å; L248-Q351 WeakPolarHBondContact O-CG 3.33Å; L248-Q351 PolarHBondContact O-N 2.87Å; Q351-H353 PolarHBondContact O-N 2.83Å |
| 352 | L | 95.8 | Very high | 93.4 | Very high | 29 Ų | 29 | 38.4 Ų | 38.4 | 15% | 0.152 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 19.3 | 179.2 | -63.6 | 171.5 | 0 | 0 | 0 | 114.8 | I233 P236 F259 S350 T398 I399 I400 | I233-L352 HydrophobicContact CD1-CD1 3.72Å; P236-L352 HydrophobicContact CB-CB 3.93Å; P236-L352 HydrophobicContact CG-CB 3.76Å; P236-L352 HydrophobicContact CG-CD1 3.93Å; F259-L352 HydrophobicContact CE1-CD2 4.23Å; F259-L352 HydrophobicContact CZ-CD2 4.04Å; S350-L352 PolarHBondContact O-N 2.92Å; L352-T398 HydrophobicContact CB-CG2 4.46Å; L352-T398 HydrophobicContact CD2-CG2 4.08Å; L352-I399 VanDerWaalsContact CA-O 3.29Å; L352-I399 WeakPolarHBondContact CA-O 3.44Å; L352-I399 PolarHBondContact N-O 3Å; L352-I400 HydrophobicContact CD2-CB 4.3Å; L352-I400 HydrophobicContact CD2-CD1 3.76Å; L352-I400 HydrophobicContact CD2-CG1 4.38Å; L352-I400 HydrophobicContact CG-CD1 4.12Å |
| 353 | H | 95.1 | Very high | 93.1 | Very high | 13 Ų | 13 | 40.6 Ų | 40.6 | 6% | 0.06 | 21% | 0.209 | C | C | . | . | trans | -69.3 | 150.4 | 169 | -82.5 | -169.4 | 0 | 0 | 0 | 111.9 | S237 Y313 S350 Q351 T398 I399 | S237-H353 PolarHBondContact O-CD2 2.93Å; S237-H353 PolarHBondContact O-NE2 3.35Å; Y313-H353 AromaticContact CE2-ND1 3.86Å; Y313-H353 AromaticContact CZ-ND1 3.84Å; Y313-H353 WeakPolarHBondContact OH-CB 3.26Å; Y313-H353 PolarHBondContact OH-ND1 3.03Å; S350-H353 WeakPolarHBondContact CB-CE1 2.92Å; S350-H353 WeakPolarHBondContact CB-NE2 3.47Å; S350-H353 PolarHBondContact N-ND1 2.93Å; S350-H353 VanDerWaalsContact O-CB 3.32Å; S350-H353 WeakPolarHBondContact O-CB 3.4Å; S350-H353 PolarHBondContact O-N 3.12Å; Q351-H353 PolarHBondContact O-N 2.83Å; H353-T398 WeakPolarHBondContact O-CA 3.36Å; H353-I399 PolarHBondContact O-N 2.97Å; H353-I399 VanDerWaalsContact O-N 3.14Å | ||
| 354 | K | 95.1 | Very high | 93 | Very high | 98 Ų | 98 | 43 Ų | 43 | 43% | 0.426 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 127 | 167.2 | -69.3 | -166.9 | 174.8 | -166.9 | 0 | 109.8 | V336 W397 | V336-K354 HydrophobicContact CB-CB 4.05Å; V336-K354 HydrophobicContact CG1-CB 4.42Å; V336-K354 PolarHBondContact N-O 2.8Å; K354-W397 CarbonylContact C-O 3.56Å; K354-W397 VanDerWaalsContact CA-O 3.29Å; K354-W397 WeakPolarHBondContact CA-O 3.35Å |
| 355 | C | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 163.6 | -179.3 | 59.7 | 0 | 0 | 0 | 0 | 111.3 | Y313 I333 R334 V336 F357 W397 | Y313-C355 HydrophobicContact CE1-CB 4.08Å; I333-C355 HydrophobicContact CD1-CB 4.15Å; I333-C355 HydrophobicContact CG1-CB 4.01Å; R334-C355 CarbonylContact O-C 3.53Å; R334-C355 WeakPolarHBondContact O-CA 3.35Å; R334-C355 WeakPolarHBondContact O-CB 3.46Å; V336-C355 VanDerWaalsContact CG2-C 3.42Å; C355-F357 WeakPolarHBondContact SG-CZ 3.45Å; C355-W397 PolarHBondContact N-O 2.86Å; C355-W397 PolarHBondContact O-N 2.81Å |
| 356 | A | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 154.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | R334 V336 Y366 L391 | R334-A356 PolarHBondContact N-O 2.83Å; R334-A356 PolarHBondContact O-N 2.9Å; V336-A356 HydrophobicContact CG2-CB 3.59Å; A356-Y366 HydrophobicContact CB-CD1 4Å; A356-Y366 HydrophobicContact CB-CE1 4.32Å; A356-L391 HydrophobicContact CB-CD1 3.38Å |
| 357 | F | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 106.7 | -177.3 | -57.6 | -74.5 | 0 | 0 | 0 | 108.8 | L258 F319 M331 I333 C355 Y366 L367 W397 | L258-F357 HydrophobicContact CD1-CD2 4.38Å; L258-F357 HydrophobicContact CD1-CE2 3.56Å; L258-F357 HydrophobicContact CD1-CZ 3.82Å; L258-F357 HydrophobicContact CD2-CE2 3.82Å; L258-F357 HydrophobicContact CD2-CZ 3.63Å; L258-F357 HydrophobicContact CG-CE2 4.33Å; L258-F357 HydrophobicContact CG-CZ 4.41Å; F319-F357 AromaticContact CE2-CD1 3.71Å; F319-F357 HydrophobicContact CE2-CD1 3.71Å; F319-F357 AromaticContact CE2-CE1 3.51Å; F319-F357 HydrophobicContact CE2-CE1 3.51Å; F319-F357 HydrophobicContact CE2-CG 4.4Å; F319-F357 HydrophobicContact CE2-CZ 4.04Å; F319-F357 HydrophobicContact CZ-CD1 4.02Å; F319-F357 AromaticContact CZ-CE1 3.31Å; F319-F357 HydrophobicContact CZ-CE1 3.31Å; F319-F357 HydrophobicContact CZ-CE2 4.46Å; F319-F357 AromaticContact CZ-CZ 3.57Å; F319-F357 HydrophobicContact CZ-CZ 3.57Å; M331-F357 HydrophobicContact CB-CB 4.01Å; M331-F357 HydrophobicContact CE-CB 4.27Å; M331-F357 HydrophobicContact CG-CB 4.3Å; M331-F357 HydrophobicContact SD-CB 3.55Å; M331-F357 VanDerWaalsContact SD-CB 3.55Å; M331-F357 HydrophobicContact SD-CG 4.49Å; I333-F357 HydrophobicContact CB-CD1 4.32Å; I333-F357 HydrophobicContact CB-CE1 4.21Å; I333-F357 HydrophobicContact CD1-CE1 3.84Å; I333-F357 HydrophobicContact CD1-CZ 4.45Å; I333-F357 HydrophobicContact CG1-CD1 4.36Å; I333-F357 HydrophobicContact CG1-CE1 3.9Å; C355-F357 WeakPolarHBondContact SG-CZ 3.45Å; F357-Y366 CarbonylContact O-C 3.57Å; F357-Y366 WeakPolarHBondContact O-CA 3.47Å; F357-L367 HydrophobicContact CB-CB 3.93Å; F357-L367 HydrophobicContact CB-CD2 4.47Å; F357-L367 HydrophobicContact CD2-CD2 4.04Å; F357-L367 PolarHBondContact O-N 3.45Å; F357-W397 HydrophobicContact CD2-CB 4.41Å; F357-W397 AromaticContact CD2-CD1 3.78Å; F357-W397 HydrophobicContact CD2-CG 4.15Å; F357-W397 HydrophobicContact CE2-CB 3.77Å; F357-W397 AromaticContact CE2-CG 3.93Å; F357-W397 HydrophobicContact CE2-CG 3.93Å |
| 358 | Q | 95.9 | Very high | 94.1 | Very high | 17 Ų | 17 | 30.2 Ų | 30.2 | 8% | 0.079 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 129.3 | 179.5 | -176.7 | -178.6 | 28.6 | 0 | 0 | 108.7 | M331 V332 R334 R360 P363 S365 Y366 | M331-Q358 CarbonylContact C-O 3.52Å; M331-Q358 WeakPolarHBondContact CA-O 3.37Å; M331-Q358 VanDerWaalsContact CB-O 3.3Å; M331-Q358 WeakPolarHBondContact CB-O 3.25Å; V332-Q358 HydrophobicContact CB-CB 4.3Å; V332-Q358 PolarHBondContact N-O 2.82Å; V332-Q358 PolarHBondContact O-N 2.85Å; R334-Q358 HydrophobicContact CG-CB 4.36Å; Q358-R360 PolarHBondContact O-N 2.73Å; Q358-P363 WeakPolarHBondContact CG-O 3.26Å; Q358-P363 PolarHBondContact NE2-O 2.83Å; Q358-S365 CarbonylContact C-O 3.59Å; Q358-S365 WeakPolarHBondContact CA-O 3.39Å; Q358-Y366 HydrophobicContact CB-CD1 3.92Å; Q358-Y366 HydrophobicContact CB-CE1 3.57Å; Q358-Y366 HydrophobicContact CG-CE1 4.02Å |
| 359 | F | 95.1 | Very high | 94.1 | Very high | 12 Ų | 12 | 30.8 Ų | 30.8 | 5% | 0.053 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 131.8 | 178.2 | -73.8 | -86.4 | 0 | 0 | 0 | 110.6 | L61 P329 M331 D361 N362 S365 L367 Q376 | L61-F359 HydrophobicContact CD1-CZ 4.25Å; P329-F359 HydrophobicContact CB-CD1 4.14Å; P329-F359 HydrophobicContact CB-CE1 4.12Å; P329-F359 HydrophobicContact CG-CD1 4.49Å; P329-F359 HydrophobicContact CG-CE1 4.03Å; M331-F359 HydrophobicContact CG-CD1 4.05Å; M331-F359 HydrophobicContact CG-CE1 4.33Å; M331-F359 HydrophobicContact CG-CG 4.41Å; M331-F359 HydrophobicContact SD-CD1 4.42Å; M331-F359 HydrophobicContact SD-CE1 4.13Å; M331-F359 HydrophobicContact SD-CZ 4.32Å; F359-D361 PolarHBondContact O-N 2.86Å; F359-N362 HydrophobicContact CB-CB 4.32Å; F359-N362 CarbonylContact O-C 3.52Å; F359-N362 PolarHBondContact O-N 3.44Å; F359-S365 PolarHBondContact N-O 2.65Å; F359-L367 HydrophobicContact CE2-CB 4.48Å; F359-L367 HydrophobicContact CZ-CD1 4.25Å; F359-Q376 HydrophobicContact CD2-CG 3.8Å; F359-Q376 HydrophobicContact CE2-CB 3.9Å; F359-Q376 HydrophobicContact CE2-CG 3.6Å; F359-Q376 HydrophobicContact CZ-CB 4.27Å; F359-Q376 HydrophobicContact CZ-CG 4.31Å |
| 360 | R | 91.9 | Very high | 93.8 | Very high | 86 Ų | 86 | 34.4 Ų | 34.4 | 33% | 0.325 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -60.2 | -47.2 | -179.5 | 178 | -176.4 | 173.3 | 143 | 8.9 | 111.5 | D296 P330 Q358 N362 | D296-R360 IonicContact OD1-CZ 3.67Å; D296-R360 IonicContact OD1-NH1 3.01Å; D296-R360 PolarHBondContact OD1-NH1 2.8Å; D296-R360 IonicContact OD1-NH2 3.16Å; D296-R360 PolarHBondContact OD1-NH2 2.99Å; P330-R360 HydrophobicContact CB-CB 4.35Å; P330-R360 VanDerWaalsContact O-CB 3.3Å; P330-R360 WeakPolarHBondContact O-CB 3.37Å; P330-R360 PolarHBondContact O-N 3.46Å; P330-R360 VanDerWaalsContact O-N 3.12Å; Q358-R360 PolarHBondContact O-N 2.73Å; R360-N362 VanDerWaalsContact C-N 3.28Å; R360-N362 PolarHBondContact O-N 2.87Å |
| 361 | D | 90.3 | Very high | 93.3 | Very high | 141 Ų | 141 | 40.7 Ų | 40.7 | 75% | 0.754 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -79.6 | -12.6 | -176 | -54.1 | -36.7 | 0 | 0 | 0 | 112.8 | F359 | F359-D361 PolarHBondContact O-N 2.86Š|
| 362 | N | 89.9 | Confident | 92.8 | Very high | 58 Ų | 58 | 44.2 Ų | 44.2 | 31% | 0.31 | 23% | 0.227 | S | C | . | . | trans | -137.9 | 91 | 177.1 | -172.1 | -28.7 | 0 | 0 | 0 | 110.3 | F359 R360 N364 S365 Q376 | F359-N362 HydrophobicContact CB-CB 4.32Å; F359-N362 CarbonylContact O-C 3.52Å; F359-N362 PolarHBondContact O-N 3.44Å; R360-N362 VanDerWaalsContact C-N 3.28Å; R360-N362 PolarHBondContact O-N 2.87Å; N362-N364 PolarHBondContact O-N 3.42Å; N362-N364 VanDerWaalsContact O-N 3.13Å; N362-N364 PolarHBondContact OD1-N 3.47Å; N362-S365 PolarHBondContact ND2-OG 2.75Å; N362-S365 VanDerWaalsContact ND2-OG 3.11Å; N362-S365 PolarHBondContact O-N 2.97Å; N362-S365 PolarHBondContact OD1-OG 3.08Å; N362-Q376 PolarHBondContact ND2-NE2 2.99Å | ||
| 363 | P | 84.8 | Confident | 92.5 | Very high | 73 Ų | 73 | 46.2 Ų | 46.2 | 47% | 0.474 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -18.8 | -171.7 | 26.2 | -34.8 | 0 | 0 | 0 | 113.4 | Q358 S365 | Q358-P363 WeakPolarHBondContact CG-O 3.26Å; Q358-P363 PolarHBondContact NE2-O 2.83Å; P363-S365 VanDerWaalsContact C-N 3.26Å; P363-S365 PolarHBondContact O-N 2.94Å |
| 364 | N | 87.3 | Confident | 92.5 | Very high | 85 Ų | 85 | 46 Ų | 46 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -0.8 | 177.3 | -66.3 | -31.2 | 0 | 0 | 0 | 112.8 | N362 Q378 A379 | N362-N364 PolarHBondContact O-N 3.42Å; N362-N364 VanDerWaalsContact O-N 3.13Å; N362-N364 PolarHBondContact OD1-N 3.47Å; N364-Q378 HydrophobicContact CB-CG 4.22Å; N364-Q378 CarbonylContact O-C 3.56Å; N364-Q378 WeakPolarHBondContact O-CA 3.44Å; N364-A379 PolarHBondContact O-N 3.41Å |
| 365 | S | 94.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.028 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 144.4 | -173 | -63.4 | 0 | 0 | 0 | 0 | 112.9 | Q358 F359 N362 P363 Q376 H377 | Q358-S365 CarbonylContact C-O 3.59Å; Q358-S365 WeakPolarHBondContact CA-O 3.39Å; F359-S365 PolarHBondContact N-O 2.65Å; N362-S365 PolarHBondContact ND2-OG 2.75Å; N362-S365 VanDerWaalsContact ND2-OG 3.11Å; N362-S365 PolarHBondContact O-N 2.97Å; N362-S365 PolarHBondContact OD1-OG 3.08Å; P363-S365 VanDerWaalsContact C-N 3.26Å; P363-S365 PolarHBondContact O-N 2.94Å; S365-Q376 PolarHBondContact OG-NE2 3.32Å; S365-H377 CarbonylContact C-O 3.54Å; S365-H377 WeakPolarHBondContact CA-O 3.2Å |
| 366 | Y | 96.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 148.3 | -179.3 | -66.8 | -97.3 | 0 | 0 | 0 | 112 | A341 A356 F357 Q358 C368 H377 A379 V389 L391 | A341-Y366 HydrophobicContact CB-CE1 4.37Å; A356-Y366 HydrophobicContact CB-CD1 4Å; A356-Y366 HydrophobicContact CB-CE1 4.32Å; F357-Y366 CarbonylContact O-C 3.57Å; F357-Y366 WeakPolarHBondContact O-CA 3.47Å; Q358-Y366 HydrophobicContact CB-CD1 3.92Å; Q358-Y366 HydrophobicContact CB-CE1 3.57Å; Q358-Y366 HydrophobicContact CG-CE1 4.02Å; Y366-C368 PolarHBondContact O-N 3.26Å; Y366-H377 PolarHBondContact N-O 3.01Å; Y366-H377 PolarHBondContact O-N 3.11Å; Y366-A379 HydrophobicContact CD2-CB 3.78Å; Y366-A379 HydrophobicContact CE2-CB 3.7Å; Y366-V389 HydrophobicContact CE2-CG1 4.14Å; Y366-L391 HydrophobicContact CD1-CD2 3.91Å; Y366-L391 HydrophobicContact CD2-CD2 3.79Å; Y366-L391 HydrophobicContact CE1-CD2 3.96Å; Y366-L391 HydrophobicContact CE2-CD2 3.87Å; Y366-L391 HydrophobicContact CG-CD2 3.81Å |
| 367 | L | 96.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 118.1 | 170.3 | -173.4 | 71.9 | 0 | 0 | 0 | 109.5 | L328 M331 F357 F359 I374 S395 W397 | L328-L367 HydrophobicContact CD1-CD2 4.15Å; L328-L367 HydrophobicContact CD2-CD1 4.45Å; M331-L367 HydrophobicContact CE-CD2 4.46Å; M331-L367 HydrophobicContact SD-CB 3.97Å; M331-L367 HydrophobicContact SD-CD2 4.36Å; F357-L367 HydrophobicContact CB-CB 3.93Å; F357-L367 HydrophobicContact CB-CD2 4.47Å; F357-L367 HydrophobicContact CD2-CD2 4.04Å; F357-L367 PolarHBondContact O-N 3.45Å; F359-L367 HydrophobicContact CE2-CB 4.48Å; F359-L367 HydrophobicContact CZ-CD1 4.25Å; L367-I374 HydrophobicContact CD1-CG2 3.43Å; L367-I374 VanDerWaalsContact CD1-CG2 3.43Å; L367-I374 HydrophobicContact CG-CG2 4.31Å; L367-S395 WeakPolarHBondContact O-CA 3.46Å; L367-W397 HydrophobicContact CD2-CZ2 4.46Å; L367-W397 HydrophobicContact CG-CZ2 4.47Å; L367-W397 PolarHBondContact O-NE1 3.33Å |
| 368 | C | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 136.2 | -172.9 | -168.8 | 0 | 0 | 0 | 0 | 111.6 | Y366 I375 H377 G394 S395 | Y366-C368 PolarHBondContact O-N 3.26Å; C368-I375 HydrophobicContact CB-CG1 4.01Å; C368-I375 PolarHBondContact N-O 3.32Å; C368-I375 PolarHBondContact O-N 2.77Å; C368-H377 HydrophobicContact CB-CB 3.43Å; C368-H377 VanDerWaalsContact CB-CB 3.43Å; C368-G394 VanDerWaalsContact SG-C 3.54Å; C368-S395 PolarHBondContact SG-OG 3.26Å; C368-S395 VanDerWaalsContact SG-OG 3.42Å |
| 369 | L | 93.9 | Very high | 91.4 | Very high | 17 Ų | 17 | 54.8 Ų | 54.8 | 9% | 0.089 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 124.4 | 162 | 174.6 | 59.9 | 0 | 0 | 0 | 109.6 | N260 R270 A281 N371 I374 G394 W397 | N260-L369 HydrophobicContact CB-CD2 3.69Å; R270-L369 HydrophobicContact CB-CD2 3.66Å; R270-L369 HydrophobicContact CG-CD2 3.89Å; A281-L369 HydrophobicContact CB-CD1 3.1Å; A281-L369 HydrophobicContact CB-CG 4.43Å; L369-N371 WeakPolarHBondContact CD1-O 3.47Å; L369-I374 HydrophobicContact CD1-CD1 4.49Å; L369-G394 WeakPolarHBondContact CB-O 3.26Å; L369-G394 PolarHBondContact N-O 3.48Å; L369-G394 WeakPolarHBondContact O-CA 3.38Å; L369-W397 HydrophobicContact CB-CH2 4.13Å; L369-W397 HydrophobicContact CB-CZ2 4.02Å |
| 370 | L | 90.6 | Very high | 90.6 | Very high | 76 Ų | 76 | 58.3 Ų | 58.3 | 40% | 0.398 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 113.3 | 165.3 | -173.9 | 65.7 | 0 | 0 | 0 | 108.8 | D372 T373 I375 | L370-D372 PolarHBondContact O-N 3.39Å; L370-D372 VanDerWaalsContact O-N 3.1Å; L370-T373 PolarHBondContact N-O 2.94Å; L370-T373 PolarHBondContact O-N 2.89Å; L370-T373 PolarHBondContact O-OG1 3.03Å; L370-I375 HydrophobicContact CB-CD1 3.66Å; L370-I375 HydrophobicContact CB-CG1 4.03Å; L370-I375 HydrophobicContact CD2-CD1 3.72Å; L370-I375 HydrophobicContact CG-CD1 4.3Å |
| 371 | N | 84.8 | Confident | 89.3 | Confident | 134 Ų | 134 | 59.1 Ų | 59.1 | 72% | 0.717 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | -107.4 | -171 | -56.4 | -35.3 | 0 | 0 | 0 | 111.4 | L369 | L369-N371 WeakPolarHBondContact CD1-O 3.47Š|
| 372 | D | 85.1 | Confident | 87.8 | Confident | 84 Ų | 84 | 55 Ų | 55 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 12.7 | 176.2 | -64.3 | -34.8 | 0 | 0 | 0 | 112.2 | R270 A281 L370 | R270-D372 IonicContact CZ-OD1 3.22Å; R270-D372 IonicContact NE-OD1 3.01Å; R270-D372 PolarHBondContact NE-OD1 3.41Å; R270-D372 IonicContact NH2-OD1 3.63Å; R270-D372 PolarHBondContact NH2-OD1 2.9Å; A281-D372 PolarHBondContact N-O 3.12Å; A281-D372 VanDerWaalsContact N-O 3.12Å; L370-D372 PolarHBondContact O-N 3.39Å; L370-D372 VanDerWaalsContact O-N 3.1Å |
| 373 | T | 90 | Very high | 86.3 | Confident | 71 Ų | 71 | 60.2 Ų | 60.2 | 44% | 0.436 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 148.3 | -177.2 | 64.8 | 0 | 0 | 0 | 0 | 112.1 | L370 | L370-T373 PolarHBondContact N-O 2.94Å; L370-T373 PolarHBondContact O-N 2.89Å; L370-T373 PolarHBondContact O-OG1 3.03Å |
| 374 | I | 95.1 | Very high | 85.2 | Confident | 8 Ų | 8 | 68.4 Ų | 68.4 | 4% | 0.041 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 120.3 | 174.8 | -56.8 | -59.1 | 0 | 0 | 0 | 108.3 | L272 F279 A281 L367 L369 W397 | L272-I374 HydrophobicContact CD1-CD1 3.64Å; L272-I374 HydrophobicContact CD1-CG1 3.77Å; F279-I374 HydrophobicContact CB-CB 4.28Å; F279-I374 HydrophobicContact CB-CG1 4.21Å; F279-I374 HydrophobicContact CB-CG2 4.45Å; A281-I374 HydrophobicContact CB-CD1 3.91Å; L367-I374 HydrophobicContact CD1-CG2 3.43Å; L367-I374 VanDerWaalsContact CD1-CG2 3.43Å; L367-I374 HydrophobicContact CG-CG2 4.31Å; L369-I374 HydrophobicContact CD1-CD1 4.49Å; I374-W397 HydrophobicContact CD1-CH2 3.7Å; I374-W397 HydrophobicContact CD1-CZ2 4.05Å |
| 375 | I | 94.2 | Very high | 84.1 | Confident | 28 Ų | 28 | 67.4 Ų | 67.4 | 14% | 0.144 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 163 | -177.5 | 66.6 | 165.6 | 0 | 0 | 0 | 111.3 | C368 L370 | C368-I375 HydrophobicContact CB-CG1 4.01Å; C368-I375 PolarHBondContact N-O 3.32Å; C368-I375 PolarHBondContact O-N 2.77Å; L370-I375 HydrophobicContact CB-CD1 3.66Å; L370-I375 HydrophobicContact CB-CG1 4.03Å; L370-I375 HydrophobicContact CD2-CD1 3.72Å; L370-I375 HydrophobicContact CG-CD1 4.3Å |
| 376 | Q | 94.2 | Very high | 83.2 | Confident | 75 Ų | 75 | 72.7 Ų | 72.7 | 35% | 0.35 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 118 | 164.7 | -178.2 | 171 | -10.2 | 0 | 0 | 108.8 | F359 N362 S365 | F359-Q376 HydrophobicContact CD2-CG 3.8Å; F359-Q376 HydrophobicContact CE2-CB 3.9Å; F359-Q376 HydrophobicContact CE2-CG 3.6Å; F359-Q376 HydrophobicContact CZ-CB 4.27Å; F359-Q376 HydrophobicContact CZ-CG 4.31Å; N362-Q376 PolarHBondContact ND2-NE2 2.99Å; S365-Q376 PolarHBondContact OG-NE2 3.32Å |
| 377 | H | 92.8 | Very high | 82.6 | Confident | 61 Ų | 61 | 74 Ų | 74 | 28% | 0.282 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 127.5 | 178.6 | -177.5 | 66.1 | 0 | 0 | 0 | 110.8 | S365 Y366 C368 | S365-H377 CarbonylContact C-O 3.54Å; S365-H377 WeakPolarHBondContact CA-O 3.2Å; Y366-H377 PolarHBondContact N-O 3.01Å; Y366-H377 PolarHBondContact O-N 3.11Å; C368-H377 HydrophobicContact CB-CB 3.43Å; C368-H377 VanDerWaalsContact CB-CB 3.43Å |
| 378 | Q | 91.6 | Very high | 82.2 | Confident | 126 Ų | 126 | 79.2 Ų | 79.2 | 59% | 0.589 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 119.5 | 176.4 | -168.7 | 170.6 | 3.1 | 0 | 0 | 110 | N364 | N364-Q378 HydrophobicContact CB-CG 4.22Å; N364-Q378 CarbonylContact O-C 3.56Å; N364-Q378 WeakPolarHBondContact O-CA 3.44Å |
| 379 | A | 85.6 | Confident | 81.9 | Confident | 9 Ų | 9 | 80.3 Ų | 80.3 | 7% | 0.074 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 143.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | N364 Y366 S381 V389 L391 | N364-A379 PolarHBondContact O-N 3.41Å; Y366-A379 HydrophobicContact CD2-CB 3.78Å; Y366-A379 HydrophobicContact CE2-CB 3.7Å; A379-S381 PolarHBondContact O-N 3.4Å; A379-V389 HydrophobicContact CB-CG1 3.52Å; A379-L391 HydrophobicContact CB-CD2 4.43Å |
| 380 | P | 77.5 | Confident | 81.7 | Confident | 86 Ų | 86 | 82.6 Ų | 82.6 | 56% | 0.558 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 130.8 | 176 | 24.6 | -30.9 | 0 | 0 | 0 | 110.5 | S382 | P380-S382 PolarHBondContact O-N 2.95Å; P380-S382 VanDerWaalsContact O-N 3.1Å |
| 381 | S | 65.3 | Low | 81.7 | Confident | 104 Ų | 104 | 79.5 Ų | 79.5 | 73% | 0.727 | 42% | 0.423 | S | S | * | . | trans | -67.8 | 108.4 | 175.9 | 54.6 | 0 | 0 | 0 | 0 | 110 | A379 | A379-S381 PolarHBondContact O-N 3.4Š| ||
| 382 | S | 58.8 | Low | 82 | Confident | 54 Ų | 54 | 76.3 Ų | 76.3 | 38% | 0.378 | 41% | 0.406 | S | S | . | . | trans | -77.2 | 117.6 | 173.2 | 151.4 | 0 | 0 | 0 | 0 | 109.7 | P380 R384 D385 | P380-S382 PolarHBondContact O-N 2.95Å; P380-S382 VanDerWaalsContact O-N 3.1Å; S382-R384 VanDerWaalsContact C-N 3.32Å; S382-D385 PolarHBondContact OG-N 2.97Å; S382-D385 PolarHBondContact OG-O 2.64Å | ||
| 383 | I | 58.6 | Low | 82.3 | Confident | 168 Ų | 168 | 74.9 Ų | 74.9 | 86% | 0.862 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -80 | -17.4 | 174.3 | -59.5 | 169.5 | 0 | 0 | 0 | 111.2 | ||
| 384 | R | 61 | Low | 82.4 | Confident | 244 Ų | 244 | 71.9 Ų | 71.9 | 92% | 0.921 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -90.6 | -23.8 | -167.1 | -70 | -173 | -174.6 | -159.1 | 1.6 | 115.2 | S382 | S382-R384 VanDerWaalsContact C-N 3.32Š|
| 385 | D | 65.4 | Low | 82.4 | Confident | 65 Ų | 65 | 71.6 Ų | 71.6 | 35% | 0.348 | 38% | 0.38 | S | S | . | . | trans | -148.6 | 113.3 | -179.6 | -171.6 | -8.5 | 0 | 0 | 0 | 109 | S382 S387 R388 | S382-D385 PolarHBondContact OG-N 2.97Å; S382-D385 PolarHBondContact OG-O 2.64Å; D385-S387 VanDerWaalsContact C-N 3.26Å; D385-S387 PolarHBondContact O-N 2.92Å; D385-S387 WeakPolarHBondContact OD1-CB 3.23Å; D385-S387 PolarHBondContact OD1-N 2.89Å; D385-S387 PolarHBondContact OD1-OG 3.15Å; D385-R388 WeakPolarHBondContact OD2-CD 3.34Å; D385-R388 IonicContact OD2-NE 3.88Å | ||
| 386 | S | 75.1 | Confident | 82.5 | Confident | 115 Ų | 115 | 70.8 Ų | 70.8 | 80% | 0.804 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -14.9 | -179.5 | 55.9 | 0 | 0 | 0 | 0 | 113 | ||
| 387 | S | 83.4 | Confident | 82.6 | Confident | 28 Ų | 28 | 67.2 Ų | 67.2 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -10 | -177.1 | 71.1 | 0 | 0 | 0 | 0 | 113.4 | L343 D344 D385 | L343-S387 PolarHBondContact N-O 2.88Å; D344-S387 WeakPolarHBondContact OD2-CB 3.45Å; D385-S387 VanDerWaalsContact C-N 3.26Å; D385-S387 PolarHBondContact O-N 2.92Å; D385-S387 WeakPolarHBondContact OD1-CB 3.23Å; D385-S387 PolarHBondContact OD1-N 2.89Å; D385-S387 PolarHBondContact OD1-OG 3.15Å |
| 388 | R | 87.3 | Confident | 82.8 | Confident | 110 Ų | 110 | 65 Ų | 65 | 42% | 0.415 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 140.7 | -172 | -62.3 | -179.9 | -172.5 | -150.7 | 0.9 | 113.3 | A341 D385 | A341-R388 VanDerWaalsContact O-CA 3.28Å; A341-R388 WeakPolarHBondContact O-CA 3.39Å; D385-R388 WeakPolarHBondContact OD2-CD 3.34Å; D385-R388 IonicContact OD2-NE 3.88Å |
| 389 | V | 89.2 | Confident | 83.1 | Confident | 24 Ų | 24 | 59 Ų | 59 | 15% | 0.145 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 129.2 | 174.8 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | H340 A341 L343 Y366 A379 L391 | H340-V389 CarbonylContact C-O 3.54Å; H340-V389 VanDerWaalsContact CA-O 3.3Å; H340-V389 WeakPolarHBondContact CA-O 3.31Å; A341-V389 HydrophobicContact CB-CB 4.39Å; A341-V389 PolarHBondContact N-O 3.26Å; A341-V389 PolarHBondContact O-N 2.86Å; L343-V389 HydrophobicContact CD1-CG2 4.09Å; L343-V389 HydrophobicContact CD2-CG2 4.4Å; L343-V389 HydrophobicContact CG-CG2 4.45Å; Y366-V389 HydrophobicContact CE2-CG1 4.14Å; A379-V389 HydrophobicContact CB-CG1 3.52Å; V389-L391 HydrophobicContact CG1-CD2 4.33Å |
| 390 | V | 90.9 | Very high | 83.7 | Confident | 65 Ų | 65 | 58.7 Ų | 58.7 | 39% | 0.394 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 126.8 | 174.7 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | ||
| 391 | L | 91 | Very high | 84.7 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | trans | -109.3 | 153.5 | -178.1 | -63.7 | -178.9 | 0 | 0 | 0 | 111.8 | V336 Q339 A341 A356 Y366 A379 V389 | V336-L391 HydrophobicContact CG2-CD1 3.9Å; Q339-L391 PolarHBondContact O-N 2.88Å; A341-L391 HydrophobicContact CB-CD1 3.76Å; A341-L391 HydrophobicContact CB-CD2 4.34Å; A341-L391 HydrophobicContact CB-CG 4.04Å; A356-L391 HydrophobicContact CB-CD1 3.38Å; Y366-L391 HydrophobicContact CD1-CD2 3.91Å; Y366-L391 HydrophobicContact CD2-CD2 3.79Å; Y366-L391 HydrophobicContact CE1-CD2 3.96Å; Y366-L391 HydrophobicContact CE2-CD2 3.87Å; Y366-L391 HydrophobicContact CG-CD2 3.81Å; A379-L391 HydrophobicContact CB-CD2 4.43Å; V389-L391 HydrophobicContact CG1-CD2 4.33Å | ||
| 392 | N | 90.6 | Very high | 86.3 | Confident | 68 Ų | 68 | 49.7 Ų | 49.7 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | trans | -66.5 | 146.1 | 161.4 | -171.7 | -21 | 0 | 0 | 0 | 109.6 | G394 S395 | N392-G394 PolarHBondContact O-N 2.64Å; N392-G394 VanDerWaalsContact O-N 3.15Å; N392-G394 PolarHBondContact OD1-N 2.88Å; N392-G394 VanDerWaalsContact OD1-N 3.1Å; N392-S395 PolarHBondContact O-N 2.82Å | ||
| 393 | D | 90.5 | Very high | 88.1 | Confident | 54 Ų | 54 | 49.6 Ų | 49.6 | 29% | 0.289 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -52.6 | -33.7 | 171.5 | -78.5 | -22.3 | 0 | 0 | 0 | 111.9 | N260 L262 Q339 S395 C396 | N260-D393 PolarHBondContact ND2-O 2.9Å; L262-D393 HydrophobicContact CD1-CB 3.57Å; L262-D393 WeakPolarHBondContact CD1-OD2 3.34Å; Q339-D393 WeakPolarHBondContact CG-OD1 3.34Å; Q339-D393 PolarHBondContact NE2-OD1 3.04Å; D393-S395 PolarHBondContact O-N 2.84Å; D393-C396 WeakPolarHBondContact O-CB 3.48Å; D393-C396 PolarHBondContact O-N 3.26Å |
| 394 | G | 92.9 | Very high | 89.9 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 8% | 0.082 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -64.2 | -23.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N260 C368 L369 N392 C396 | N260-G394 PolarHBondContact ND2-O 3.13Å; C368-G394 VanDerWaalsContact SG-C 3.54Å; L369-G394 WeakPolarHBondContact CB-O 3.26Å; L369-G394 PolarHBondContact N-O 3.48Å; L369-G394 WeakPolarHBondContact O-CA 3.38Å; N392-G394 PolarHBondContact O-N 2.64Å; N392-G394 VanDerWaalsContact O-N 3.15Å; N392-G394 PolarHBondContact OD1-N 2.88Å; N392-G394 VanDerWaalsContact OD1-N 3.1Å; G394-C396 VanDerWaalsContact C-N 3.35Å |
| 395 | S | 94.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -89 | -2.4 | 177.5 | -47.4 | 0 | 0 | 0 | 0 | 113.3 | L367 C368 N392 D393 | L367-S395 WeakPolarHBondContact O-CA 3.46Å; C368-S395 PolarHBondContact SG-OG 3.26Å; C368-S395 VanDerWaalsContact SG-OG 3.42Å; N392-S395 PolarHBondContact O-N 2.82Å; D393-S395 PolarHBondContact O-N 2.84Å |
| 396 | C | 95.2 | Very high | 92.9 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 8% | 0.081 | 20% | 0.195 | C | C | . | . | trans | -94 | 100.4 | -179.2 | -61.6 | 0 | 0 | 0 | 0 | 110.9 | N260 V336 D393 G394 | N260-C396 PolarHBondContact ND2-O 2.85Å; V336-C396 HydrophobicContact CG1-CB 4.48Å; D393-C396 WeakPolarHBondContact O-CB 3.48Å; D393-C396 PolarHBondContact O-N 3.26Å; G394-C396 VanDerWaalsContact C-N 3.35Å | ||
| 397 | W | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 150.1 | -179.8 | -62.5 | 88.8 | 0 | 0 | 0 | 111.3 | L258 N260 L272 K354 C355 F357 L367 L369 I374 | L258-W397 HydrophobicContact CB-CE3 3.94Å; N260-W397 HydrophobicContact CB-CE3 4.22Å; N260-W397 HydrophobicContact CB-CZ3 4.22Å; L272-W397 HydrophobicContact CB-CH2 4.45Å; L272-W397 HydrophobicContact CB-CZ3 4.04Å; L272-W397 HydrophobicContact CD1-CH2 4.45Å; K354-W397 CarbonylContact C-O 3.56Å; K354-W397 VanDerWaalsContact CA-O 3.29Å; K354-W397 WeakPolarHBondContact CA-O 3.35Å; C355-W397 PolarHBondContact N-O 2.86Å; C355-W397 PolarHBondContact O-N 2.81Å; F357-W397 HydrophobicContact CD2-CB 4.41Å; F357-W397 AromaticContact CD2-CD1 3.78Å; F357-W397 HydrophobicContact CD2-CG 4.15Å; F357-W397 HydrophobicContact CE2-CB 3.77Å; F357-W397 AromaticContact CE2-CG 3.93Å; F357-W397 HydrophobicContact CE2-CG 3.93Å; L367-W397 HydrophobicContact CD2-CZ2 4.46Å; L367-W397 HydrophobicContact CG-CZ2 4.47Å; L367-W397 PolarHBondContact O-NE1 3.33Å; L369-W397 HydrophobicContact CB-CH2 4.13Å; L369-W397 HydrophobicContact CB-CZ2 4.02Å; I374-W397 HydrophobicContact CD1-CH2 3.7Å; I374-W397 HydrophobicContact CD1-CZ2 4.05Å |
| 398 | T | 97.1 | Very high | 94.5 | Very high | 15 Ų | 15 | 30.3 Ų | 30.3 | 9% | 0.092 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 127.1 | 166.3 | -51.7 | 0 | 0 | 0 | 0 | 108.3 | L258 F259 L352 H353 | L258-T398 WeakPolarHBondContact CA-O 3.34Å; F259-T398 HydrophobicContact CD1-CG2 4.49Å; F259-T398 HydrophobicContact CE1-CG2 3.66Å; F259-T398 HydrophobicContact CE2-CG2 3.92Å; F259-T398 VanDerWaalsContact CZ-CB 3.46Å; F259-T398 HydrophobicContact CZ-CG2 3.33Å; F259-T398 PolarHBondContact N-O 3.38Å; F259-T398 PolarHBondContact O-N 3.49Å; L352-T398 HydrophobicContact CB-CG2 4.46Å; L352-T398 HydrophobicContact CD2-CG2 4.08Å; H353-T398 WeakPolarHBondContact O-CA 3.36Å |
| 399 | I | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 138.8 | 179.1 | -169.3 | 168.9 | 0 | 0 | 0 | 110.9 | I250 V256 L258 I291 I333 V349 L352 H353 | I250-I399 HydrophobicContact CD1-CB 4.32Å; I250-I399 HydrophobicContact CD1-CD1 3.59Å; I250-I399 HydrophobicContact CD1-CG1 3.56Å; I250-I399 HydrophobicContact CD1-CG2 3.9Å; V256-I399 HydrophobicContact CB-CD1 4.37Å; V256-I399 HydrophobicContact CB-CG1 4.14Å; V256-I399 HydrophobicContact CG1-CD1 4.28Å; V256-I399 HydrophobicContact CG1-CG1 4.27Å; V256-I399 HydrophobicContact CG2-CD1 4.34Å; V256-I399 HydrophobicContact CG2-CG1 4.5Å; L258-I399 HydrophobicContact CD2-CB 3.71Å; L258-I399 HydrophobicContact CD2-CD1 4.09Å; L258-I399 HydrophobicContact CD2-CG1 3.69Å; I291-I399 HydrophobicContact CD1-CD1 4.15Å; I333-I399 HydrophobicContact CD1-CD1 4.39Å; V349-I399 HydrophobicContact CG1-CG2 3.77Å; L352-I399 VanDerWaalsContact CA-O 3.29Å; L352-I399 WeakPolarHBondContact CA-O 3.44Å; L352-I399 PolarHBondContact N-O 3Å; H353-I399 PolarHBondContact O-N 2.97Å; H353-I399 VanDerWaalsContact O-N 3.14Å |
| 400 | I | 98.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 137.4 | 176.8 | -172.7 | 171.3 | 0 | 0 | 0 | 110.2 | A114 V116 P130 V256 A257 F259 L352 V402 | A114-I400 HydrophobicContact CB-CD1 3.53Å; A114-I400 HydrophobicContact CB-CG1 4.23Å; V116-I400 HydrophobicContact CG2-CD1 3.83Å; V116-I400 HydrophobicContact CG2-CG1 4.09Å; P130-I400 HydrophobicContact CG-CG2 4.47Å; V256-I400 CarbonylContact C-O 3.56Å; V256-I400 WeakPolarHBondContact CA-O 3.5Å; V256-I400 WeakPolarHBondContact CB-O 3.46Å; A257-I400 HydrophobicContact CB-CG2 4.22Å; A257-I400 PolarHBondContact N-O 2.72Å; A257-I400 PolarHBondContact O-N 2.9Å; A257-I400 VanDerWaalsContact O-N 3.13Å; F259-I400 HydrophobicContact CD1-CG2 4.42Å; F259-I400 HydrophobicContact CE1-CG2 4.1Å; L352-I400 HydrophobicContact CD2-CB 4.3Å; L352-I400 HydrophobicContact CD2-CD1 3.76Å; L352-I400 HydrophobicContact CD2-CG1 4.38Å; L352-I400 HydrophobicContact CG-CD1 4.12Å; I400-V402 HydrophobicContact CG2-CG1 4.45Å |
| 401 | G | 98.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 138 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | K115 K255 | K115-G401 PolarHBondContact N-O 3.28Å; K255-G401 WeakPolarHBondContact O-CA 3.35Å |
| 402 | V | 98.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 161.5 | -178.2 | -60.4 | 0 | 0 | 0 | 0 | 110.8 | H113 K115 P130 K255 A257 W286 A288 I400 | H113-V402 CarbonylContact O-C 3.58Å; H113-V402 VanDerWaalsContact O-CA 3.26Å; H113-V402 WeakPolarHBondContact O-CA 3.18Å; H113-V402 WeakPolarHBondContact O-CB 3.37Å; K115-V402 WeakPolarHBondContact CE-O 3.4Å; P130-V402 HydrophobicContact CG-CG1 4.25Å; K255-V402 HydrophobicContact CB-CG2 3.89Å; K255-V402 PolarHBondContact O-N 3.49Å; A257-V402 HydrophobicContact CB-CG1 3.59Å; W286-V402 HydrophobicContact CH2-CB 4.07Å; W286-V402 HydrophobicContact CH2-CG1 3.95Å; W286-V402 HydrophobicContact CZ3-CB 3.92Å; W286-V402 HydrophobicContact CZ3-CG1 3.7Å; W286-V402 HydrophobicContact CZ3-CG2 4.05Å; A288-V402 HydrophobicContact CB-CG2 3.84Å; I400-V402 HydrophobicContact CG2-CG1 4.45Å |
| 403 | E | 97.4 | Very high | 92.8 | Very high | 52 Ų | 52 | 23.7 Ų | 23.7 | 24% | 0.243 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 148.9 | 173.1 | -75.4 | -65.3 | 163.4 | 0 | 0 | 109.6 | L112 H113 K115 R228 | L112-E403 WeakPolarHBondContact CA-O 3.42Å; H113-E403 PolarHBondContact N-O 3.28Å; H113-E403 VanDerWaalsContact N-O 3.08Å; H113-E403 PolarHBondContact O-N 3.1Å; K115-E403 HydrophobicContact CD-CG 4.42Å; K115-E403 WeakPolarHBondContact CE-OE1 3.44Å; K115-E403 HydrophobicContact CG-CG 3.82Å; K115-E403 IonicContact NZ-OE1 3.21Å; K115-E403 PolarHBondContact NZ-OE1 3.12Å; R228-E403 HydrophobicContact CB-CB 4.33Å; R228-E403 HydrophobicContact CB-CG 4.09Å; R228-E403 HydrophobicContact CG-CB 4.43Å; R228-E403 HydrophobicContact CG-CG 4.31Å |
| 404 | V | 96.3 | Very high | 91.5 | Very high | 47 Ų | 47 | 25.8 Ų | 25.8 | 29% | 0.285 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 116.7 | 174.6 | -175.3 | 0 | 0 | 0 | 0 | 106.3 | T110 L112 K255 A288 | T110-V404 HydrophobicContact CG2-CG1 3.57Å; L112-V404 HydrophobicContact CD1-CG1 4.33Å; L112-V404 HydrophobicContact CD2-CG2 4.26Å; L112-V404 HydrophobicContact CG-CB 4.44Å; L112-V404 HydrophobicContact CG-CG1 4.1Å; L112-V404 HydrophobicContact CG-CG2 4Å; K255-V404 HydrophobicContact CD-CG2 4.1Å; A288-V404 HydrophobicContact CB-CG2 3.88Å |
| 405 | V | 95.2 | Very high | 90 | Very high | 14 Ų | 14 | 25.6 Ų | 25.6 | 9% | 0.085 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 120.1 | -179.8 | -166.2 | 0 | 0 | 0 | 0 | 108.1 | T110 I111 R228 F407 | T110-V405 CarbonylContact C-O 3.54Å; T110-V405 VanDerWaalsContact CA-O 3.3Å; T110-V405 WeakPolarHBondContact CA-O 3.37Å; I111-V405 PolarHBondContact N-O 2.99Å; I111-V405 PolarHBondContact O-N 3.49Å; R228-V405 HydrophobicContact CB-CG2 4.35Å; R228-V405 HydrophobicContact CG-CG2 3.64Å; V405-F407 HydrophobicContact CB-CE2 4.21Å; V405-F407 HydrophobicContact CG1-CD2 4.43Å; V405-F407 HydrophobicContact CG1-CE1 4.39Å; V405-F407 HydrophobicContact CG1-CE2 3.59Å; V405-F407 HydrophobicContact CG1-CZ 3.56Å |
| 406 | E | 94.8 | Very high | 88.7 | Confident | 117 Ų | 117 | 26.3 Ų | 26.3 | 55% | 0.547 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 132.6 | 178.6 | -173.3 | 175 | -136.8 | 0 | 0 | 110.6 | T110 | T110-E406 HydrophobicContact CG2-CB 4.35Å |
| 407 | F | 95.8 | Very high | 87.5 | Confident | 12 Ų | 12 | 34 Ų | 34 | 5% | 0.053 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 109.7 | 173.8 | -61.1 | -84.1 | 0 | 0 | 0 | 108.1 | S108 V109 I111 F225 Q226 V405 F423 | S108-F407 CarbonylContact C-O 3.39Å; S108-F407 VanDerWaalsContact CA-O 3.3Å; S108-F407 WeakPolarHBondContact CA-O 3.4Å; V109-F407 HydrophobicContact CB-CB 4.38Å; V109-F407 PolarHBondContact N-O 3.2Å; V109-F407 WeakPolarHBondContact O-CD2 3.44Å; V109-F407 PolarHBondContact O-N 2.84Å; I111-F407 HydrophobicContact CD1-CE2 4.02Å; I111-F407 HydrophobicContact CG1-CE2 4.43Å; F225-F407 HydrophobicContact CB-CD2 3.99Å; F225-F407 HydrophobicContact CB-CE2 3.87Å; F225-F407 HydrophobicContact CB-CG 4.5Å; F225-F407 HydrophobicContact CB-CZ 4.27Å; F225-F407 HydrophobicContact CD1-CB 3.7Å; F225-F407 AromaticContact CD1-CD1 3.91Å; F225-F407 HydrophobicContact CD1-CD1 3.91Å; F225-F407 AromaticContact CD1-CD2 3.74Å; F225-F407 HydrophobicContact CD1-CD2 3.74Å; F225-F407 HydrophobicContact CD1-CE2 4.37Å; F225-F407 AromaticContact CD1-CG 3.49Å; F225-F407 HydrophobicContact CD1-CG 3.49Å; F225-F407 VanDerWaalsContact CD1-CG 3.49Å; F225-F407 HydrophobicContact CE1-CB 3.87Å; F225-F407 HydrophobicContact CE1-CG 4.17Å; F225-F407 HydrophobicContact CG-CD2 4.22Å; F225-F407 HydrophobicContact CG-CG 4.39Å; Q226-F407 VanDerWaalsContact O-CZ 3.24Å; Q226-F407 WeakPolarHBondContact O-CZ 3.39Å; V405-F407 HydrophobicContact CB-CE2 4.21Å; V405-F407 HydrophobicContact CG1-CD2 4.43Å; V405-F407 HydrophobicContact CG1-CE1 4.39Å; V405-F407 HydrophobicContact CG1-CE2 3.59Å; V405-F407 HydrophobicContact CG1-CZ 3.56Å; F407-F423 HydrophobicContact CB-CD2 4.33Å; F407-F423 HydrophobicContact CB-CE2 3.82Å; F407-F423 HydrophobicContact CB-CZ 3.97Å; F407-F423 HydrophobicContact CD1-CB 4.44Å; F407-F423 AromaticContact CD1-CD1 3.66Å; F407-F423 HydrophobicContact CD1-CD1 3.66Å; F407-F423 AromaticContact CD1-CD2 3.94Å; F407-F423 HydrophobicContact CD1-CD2 3.94Å; F407-F423 AromaticContact CD1-CE1 3.79Å; F407-F423 HydrophobicContact CD1-CE1 3.79Å; F407-F423 HydrophobicContact CD1-CE2 4.05Å; F407-F423 AromaticContact CD1-CG 3.74Å; F407-F423 HydrophobicContact CD1-CG 3.74Å; F407-F423 AromaticContact CD1-CZ 3.99Å; F407-F423 HydrophobicContact CD1-CZ 3.99Å; F407-F423 HydrophobicContact CE1-CD1 4.16Å; F407-F423 HydrophobicContact CE1-CG 4.31Å; F407-F423 HydrophobicContact CG-CE2 4.44Å |
| 408 | T | 95.2 | Very high | 86.9 | Confident | 26 Ų | 26 | 36.5 Ų | 36.5 | 16% | 0.16 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 124.1 | 179.3 | -59.6 | 0 | 0 | 0 | 0 | 109.8 | D106 Q107 S108 R506 | D106-T408 HydrophobicContact CB-CG2 4.03Å; Q107-T408 WeakPolarHBondContact O-CA 3.1Å; S108-T408 PolarHBondContact OG-OG1 3.23Å; S108-T408 VanDerWaalsContact OG-OG1 3.11Å; T408-R506 HydrophobicContact CG2-CB 3.84Å; T408-R506 HydrophobicContact CG2-CG 3.81Å; T408-R506 PolarHBondContact O-N 2.98Å |
| 409 | F | 94.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 165 | 179 | 58.5 | -86.3 | 0 | 0 | 0 | 110.5 | Q107 V109 W141 F225 Q411 V420 F423 L503 I504 Y505 | Q107-F409 HydrophobicContact CB-CD2 3.98Å; Q107-F409 HydrophobicContact CB-CE1 4.33Å; Q107-F409 HydrophobicContact CB-CE2 3.66Å; Q107-F409 HydrophobicContact CB-CG 4.46Å; Q107-F409 HydrophobicContact CB-CZ 3.85Å; Q107-F409 HydrophobicContact CG-CE2 4.3Å; Q107-F409 PolarHBondContact N-O 3.32Å; Q107-F409 PolarHBondContact O-N 3.41Å; Q107-F409 VanDerWaalsContact OE1-CD2 3.25Å; V109-F409 HydrophobicContact CG2-CE1 4.13Å; W141-F409 AromaticContact CH2-CZ 3.86Å; W141-F409 HydrophobicContact CH2-CZ 3.86Å; W141-F409 HydrophobicContact CZ2-CE1 4.25Å; W141-F409 AromaticContact CZ2-CZ 3.68Å; W141-F409 HydrophobicContact CZ2-CZ 3.68Å; F225-F409 HydrophobicContact CE1-CD1 4.45Å; F225-F409 AromaticContact CE1-CE1 3.92Å; F225-F409 HydrophobicContact CE1-CE1 3.92Å; F225-F409 AromaticContact CZ-CE1 3.86Å; F225-F409 HydrophobicContact CZ-CE1 3.86Å; F225-F409 HydrophobicContact CZ-CZ 4.33Å; F409-Q411 HydrophobicContact CD2-CB 4.29Å; F409-Q411 HydrophobicContact CE2-CB 4.44Å; F409-V420 HydrophobicContact CD2-CB 4.47Å; F409-V420 HydrophobicContact CD2-CG1 3.75Å; F409-V420 HydrophobicContact CE1-CG2 4.26Å; F409-V420 HydrophobicContact CE2-CB 4.47Å; F409-V420 HydrophobicContact CE2-CG1 3.59Å; F409-V420 HydrophobicContact CG-CG1 4.38Å; F409-V420 HydrophobicContact CZ-CG1 4.1Å; F409-V420 HydrophobicContact CZ-CG2 4.22Å; F409-F423 HydrophobicContact CB-CE2 4.24Å; F409-F423 AromaticContact CD1-CE2 3.96Å; F409-F423 HydrophobicContact CD1-CE2 3.96Å; F409-L503 HydrophobicContact CB-CD1 4.16Å; F409-L503 HydrophobicContact CD2-CD1 4.02Å; F409-I504 CarbonylContact C-O 3.51Å; F409-I504 WeakPolarHBondContact CA-O 3.27Å; F409-I504 WeakPolarHBondContact CB-O 3.28Å; F409-Y505 HydrophobicContact CB-CD1 4.34Å |
| 410 | N | 91.6 | Very high | 86.3 | Confident | 13 Ų | 13 | 38 Ų | 38 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 102 | 176.9 | -170.3 | -50.3 | 0 | 0 | 0 | 108 | E102 D106 I504 | E102-N410 PolarHBondContact O-ND2 3.07Å; D106-N410 WeakPolarHBondContact OD1-CB 3.25Å; D106-N410 PolarHBondContact OD1-ND2 2.99Å; N410-I504 HydrophobicContact CB-CB 4.21Å; N410-I504 PolarHBondContact N-O 3.5Å; N410-I504 PolarHBondContact O-N 3.37Å; N410-I504 VanDerWaalsContact O-N 3.09Å |
| 411 | Q | 84.8 | Confident | 86 | Confident | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.065 | 23% | 0.226 | C | C | . | . | trans | -94.6 | 106.9 | 177.5 | -164.8 | 171.3 | 22.3 | 0 | 0 | 108.9 | F409 C415 T418 L503 | F409-Q411 HydrophobicContact CD2-CB 4.29Å; F409-Q411 HydrophobicContact CE2-CB 4.44Å; Q411-C415 HydrophobicContact CG-CB 3.78Å; Q411-C415 PolarHBondContact NE2-O 2.85Å; Q411-T418 PolarHBondContact NE2-O 2.82Å; Q411-T418 VanDerWaalsContact NE2-O 3.08Å; Q411-L503 HydrophobicContact CB-CD1 3.86Å; Q411-L503 HydrophobicContact CG-CD1 4.19Å | ||
| 412 | G | 74.3 | Confident | 85.6 | Confident | 27 Ų | 27 | 42.9 Ų | 42.9 | 28% | 0.278 | 25% | 0.251 | S | S | . | . | trans | -62.4 | 157.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A414 C415 | G412-A414 PolarHBondContact O-N 2.94Å; G412-A414 VanDerWaalsContact O-N 3.08Å; G412-C415 WeakPolarHBondContact O-CB 3.41Å; G412-C415 PolarHBondContact O-N 3.29Å | ||
| 413 | L | 68.6 | Low | 85.4 | Confident | 83 Ų | 83 | 43.9 Ų | 43.9 | 44% | 0.435 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -55.4 | -32.3 | -175 | -60.4 | 176.2 | 0 | 0 | 0 | 114.1 | V143 H147 C415 I416 | V143-L413 HydrophobicContact CG1-CD2 4.4Å; H147-L413 HydrophobicContact CB-CD2 3.67Å; L413-C415 VanDerWaalsContact C-N 3.27Å; L413-C415 PolarHBondContact O-N 3.31Å; L413-I416 HydrophobicContact CD2-CD1 4.38Å |
| 414 | A | 62.8 | Low | 85.3 | Confident | 99 Ų | 99 | 41.8 Ų | 41.8 | 82% | 0.818 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -72 | -19 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G412 | G412-A414 PolarHBondContact O-N 2.94Å; G412-A414 VanDerWaalsContact O-N 3.08Å |
| 415 | C | 62 | Low | 85 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -97.9 | -2.6 | -171.6 | -170.4 | 0 | 0 | 0 | 0 | 113 | Q411 G412 L413 Q417 T418 D501 | Q411-C415 HydrophobicContact CG-CB 3.78Å; Q411-C415 PolarHBondContact NE2-O 2.85Å; G412-C415 WeakPolarHBondContact O-CB 3.41Å; G412-C415 PolarHBondContact O-N 3.29Å; L413-C415 VanDerWaalsContact C-N 3.27Å; L413-C415 PolarHBondContact O-N 3.31Å; C415-Q417 PolarHBondContact O-N 3.48Å; C415-T418 PolarHBondContact O-N 3.25Å; C415-T418 VanDerWaalsContact O-N 3.16Å; C415-T418 PolarHBondContact O-OG1 3Å; C415-T418 PolarHBondContact SG-OG1 2.79Å; C415-T418 VanDerWaalsContact SG-OG1 3.34Å; C415-D501 PolarHBondContact SG-OD2 3.13Å |
| 416 | I | 67 | Low | 85 | Confident | 16 Ų | 16 | 41.7 Ų | 41.7 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -33.1 | -175.4 | -63.1 | 170.3 | 0 | 0 | 0 | 111.3 | M144 L216 Q220 L413 T418 | M144-I416 HydrophobicContact CG-CD1 3.92Å; M144-I416 HydrophobicContact CG-CG1 4.3Å; L216-I416 HydrophobicContact CD1-CG2 4.37Å; Q220-I416 PolarHBondContact NE2-O 2.87Å; L413-I416 HydrophobicContact CD2-CD1 4.38Å; I416-T418 PolarHBondContact O-N 3.01Å |
| 417 | Q | 71.6 | Confident | 84.9 | Confident | 172 Ų | 172 | 40.4 Ų | 40.4 | 80% | 0.804 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -24.2 | -176.2 | -64.4 | -170.5 | -8.1 | 0 | 0 | 115.7 | Q220 C415 | Q220-Q417 VanDerWaalsContact NE2-CA 3.26Å; C415-Q417 PolarHBondContact O-N 3.48Å |
| 418 | T | 84.1 | Confident | 84.7 | Confident | 54 Ų | 54 | 40.9 Ų | 40.9 | 33% | 0.331 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -102.1 | 136.3 | 179.6 | 50.9 | 0 | 0 | 0 | 0 | 110.4 | Q411 C415 I416 R499 D501 | Q411-T418 PolarHBondContact NE2-O 2.82Å; Q411-T418 VanDerWaalsContact NE2-O 3.08Å; C415-T418 PolarHBondContact O-N 3.25Å; C415-T418 VanDerWaalsContact O-N 3.16Å; C415-T418 PolarHBondContact O-OG1 3Å; C415-T418 PolarHBondContact SG-OG1 2.79Å; C415-T418 VanDerWaalsContact SG-OG1 3.34Å; I416-T418 PolarHBondContact O-N 3.01Å; T418-R499 PolarHBondContact OG1-NH2 3.39Å; T418-D501 PolarHBondContact OG1-OD2 3.2Å |
| 419 | P | 90.2 | Very high | 84.6 | Confident | 45 Ų | 45 | 40.7 Ų | 40.7 | 29% | 0.292 | 25% | 0.246 | S | C | . | . | trans | -64.6 | 150.6 | 176.9 | 27.9 | -34.3 | 0 | 0 | 0 | 110.2 | E221 V222 S421 R499 | E221-P419 HydrophobicContact CG-CB 4.33Å; V222-P419 CarbonylContact O-C 3.58Å; V222-P419 WeakPolarHBondContact O-CA 3.4Å; P419-S421 PolarHBondContact O-N 3.33Å; P419-R499 PolarHBondContact O-NH1 2.86Å; P419-R499 PolarHBondContact O-NH2 2.83Å; P419-R499 VanDerWaalsContact O-NH2 3.11Å | ||
| 420 | V | 92.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -75.8 | -10.4 | 176.1 | -52.7 | 0 | 0 | 0 | 0 | 112.6 | V222 F225 F409 L503 Y505 | V222-V420 WeakPolarHBondContact O-CG2 3.41Å; V222-V420 PolarHBondContact O-N 2.86Å; F225-V420 HydrophobicContact CE1-CG2 3.87Å; F225-V420 HydrophobicContact CE2-CG2 4.47Å; F225-V420 HydrophobicContact CZ-CG2 3.54Å; F409-V420 HydrophobicContact CD2-CB 4.47Å; F409-V420 HydrophobicContact CD2-CG1 3.75Å; F409-V420 HydrophobicContact CE1-CG2 4.26Å; F409-V420 HydrophobicContact CE2-CB 4.47Å; F409-V420 HydrophobicContact CE2-CG1 3.59Å; F409-V420 HydrophobicContact CG-CG1 4.38Å; F409-V420 HydrophobicContact CZ-CG1 4.1Å; F409-V420 HydrophobicContact CZ-CG2 4.22Å; V420-L503 HydrophobicContact CB-CD2 3.88Å; V420-L503 HydrophobicContact CG1-CD1 4.12Å; V420-L503 HydrophobicContact CG1-CD2 3.89Å; V420-Y505 WeakPolarHBondContact O-CE1 3.32Å; V420-Y505 PolarHBondContact O-OH 3.32Å; V420-Y505 VanDerWaalsContact O-OH 3.04Å | ||
| 421 | S | 90.5 | Very high | 84.6 | Confident | 22 Ų | 22 | 46.3 Ų | 46.3 | 15% | 0.154 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -86 | 152.7 | 173.1 | 46 | 0 | 0 | 0 | 0 | 112.1 | S224 P419 | S224-S421 PolarHBondContact N-OG 3.23Å; P419-S421 PolarHBondContact O-N 3.33Å |
| 422 | P | 91.2 | Very high | 84.7 | Confident | 84 Ų | 84 | 48.1 Ų | 48.1 | 55% | 0.545 | 28% | 0.284 | S | S | . | . | S | Bend | cis | -74.3 | 133.5 | -1.7 | 32.9 | -36 | 0 | 0 | 0 | 111.5 | N446 | P422-N446 HydrophobicContact CB-CB 4.03Š|
| 423 | F | 93.7 | Very high | 84.8 | Confident | 20 Ų | 20 | 49.6 Ų | 49.6 | 9% | 0.088 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 124.2 | -177.1 | -159.4 | -78 | 0 | 0 | 0 | 109.5 | F225 F407 F409 N446 Y505 | F225-F423 HydrophobicContact CD1-CD2 4.39Å; F225-F423 HydrophobicContact CE1-CD2 4.12Å; F225-F423 HydrophobicContact CE1-CE2 4.46Å; F407-F423 HydrophobicContact CB-CD2 4.33Å; F407-F423 HydrophobicContact CB-CE2 3.82Å; F407-F423 HydrophobicContact CB-CZ 3.97Å; F407-F423 HydrophobicContact CD1-CB 4.44Å; F407-F423 AromaticContact CD1-CD1 3.66Å; F407-F423 HydrophobicContact CD1-CD1 3.66Å; F407-F423 AromaticContact CD1-CD2 3.94Å; F407-F423 HydrophobicContact CD1-CD2 3.94Å; F407-F423 AromaticContact CD1-CE1 3.79Å; F407-F423 HydrophobicContact CD1-CE1 3.79Å; F407-F423 HydrophobicContact CD1-CE2 4.05Å; F407-F423 AromaticContact CD1-CG 3.74Å; F407-F423 HydrophobicContact CD1-CG 3.74Å; F407-F423 AromaticContact CD1-CZ 3.99Å; F407-F423 HydrophobicContact CD1-CZ 3.99Å; F407-F423 HydrophobicContact CE1-CD1 4.16Å; F407-F423 HydrophobicContact CE1-CG 4.31Å; F407-F423 HydrophobicContact CG-CE2 4.44Å; F409-F423 HydrophobicContact CB-CE2 4.24Å; F409-F423 AromaticContact CD1-CE2 3.96Å; F409-F423 HydrophobicContact CD1-CE2 3.96Å; F423-N446 WeakPolarHBondContact O-CB 3.39Å; F423-N446 PolarHBondContact O-ND2 3.13Å; F423-Y505 HydrophobicContact CD1-CD1 4.48Å; F423-Y505 AromaticContact CD2-CD1 3.87Å; F423-Y505 HydrophobicContact CD2-CD1 3.87Å; F423-Y505 AromaticContact CD2-CE1 3.96Å; F423-Y505 HydrophobicContact CD2-CE1 3.96Å; F423-Y505 HydrophobicContact CE1-CD1 4.28Å; F423-Y505 AromaticContact CE2-CD1 3.64Å; F423-Y505 HydrophobicContact CE2-CD1 3.64Å; F423-Y505 HydrophobicContact CE2-CE1 4.15Å; F423-Y505 HydrophobicContact CG-CD1 4.29Å; F423-Y505 HydrophobicContact CG-CE1 4.41Å; F423-Y505 AromaticContact CZ-CD1 3.86Å; F423-Y505 HydrophobicContact CZ-CD1 3.86Å |
| 424 | P | 94.4 | Very high | 84.5 | Confident | 8 Ų | 8 | 47.5 Ų | 47.5 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 134.5 | -179.4 | 29.5 | -33.4 | 0 | 0 | 0 | 111 | F447 L451 L497 Y505 | P424-F447 HydrophobicContact CB-CD1 3.93Å; P424-F447 HydrophobicContact CB-CE1 3.98Å; P424-L451 HydrophobicContact CB-CD1 3.93Å; P424-L451 HydrophobicContact CG-CD1 4.3Å; P424-L497 HydrophobicContact CB-CD1 3.67Å; P424-L497 HydrophobicContact CG-CD1 3.81Å; P424-Y505 VanDerWaalsContact CD-CD1 3.5Å; P424-Y505 HydrophobicContact CG-CD1 3.94Å; P424-Y505 HydrophobicContact CG-CD2 3.52Å; P424-Y505 HydrophobicContact CG-CE1 4.31Å; P424-Y505 HydrophobicContact CG-CE2 3.92Å; P424-Y505 HydrophobicContact CG-CG 3.51Å |
| 425 | I | 91.8 | Very high | 84.6 | Confident | 42 Ų | 42 | 45.2 Ų | 45.2 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 127 | -179.4 | -57.9 | 174.8 | 0 | 0 | 0 | 108.3 | G444 E445 | I425-G444 CarbonylContact O-C 3.53Å; I425-G444 WeakPolarHBondContact O-CA 3.22Å; I425-E445 HydrophobicContact CB-CB 4.45Å; I425-E445 PolarHBondContact N-O 2.76Å; I425-E445 PolarHBondContact O-N 2.69Å |
| 426 | I | 93.8 | Very high | 84.5 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 9% | 0.092 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 117.6 | 175.3 | -58.2 | 177.3 | 0 | 0 | 0 | 109 | L429 I442 F447 M453 L497 T507 Y509 | I426-L429 HydrophobicContact CG2-CD2 3.87Å; I426-L429 HydrophobicContact CG2-CG 4.03Å; I426-I442 HydrophobicContact CD1-CG2 4.03Å; I426-I442 HydrophobicContact CG1-CG2 3.93Å; I426-I442 HydrophobicContact CG2-CG2 4.06Å; I426-F447 HydrophobicContact CG1-CE1 4.35Å; I426-F447 HydrophobicContact CG1-CZ 4.18Å; I426-M453 HydrophobicContact CD1-CE 4.35Å; I426-L497 HydrophobicContact CD1-CD1 4.2Å; I426-L497 HydrophobicContact CG1-CD1 4.37Å; I426-T507 HydrophobicContact CD1-CG2 3.72Å; I426-Y509 HydrophobicContact CB-CD2 4.13Å; I426-Y509 HydrophobicContact CB-CE2 3.64Å; I426-Y509 HydrophobicContact CD1-CD2 4.4Å; I426-Y509 HydrophobicContact CG2-CD2 3.9Å; I426-Y509 HydrophobicContact CG2-CE2 3.45Å; I426-Y509 VanDerWaalsContact CG2-CE2 3.45Å; I426-Y509 PolarHBondContact O-OH 2.88Å; I426-Y509 VanDerWaalsContact O-OH 3.09Å |
| 427 | N | 92.3 | Very high | 85 | Confident | 89 Ų | 89 | 58 Ų | 58 | 48% | 0.476 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -24.1 | 178.8 | -68.1 | -22.4 | 0 | 0 | 0 | 112.3 | H443 | N427-H443 PolarHBondContact N-O 3.2Å |
| 428 | G | 92.3 | Very high | 85.8 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 23% | 0.227 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.4 | 156 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H443 | G428-H443 PolarHBondContact N-O 3.14Å; G428-H443 VanDerWaalsContact N-O 3.11Å; G428-H443 PolarHBondContact O-N 2.9Å |
| 429 | L | 94.2 | Very high | 86.2 | Confident | 23 Ų | 23 | 49.4 Ų | 49.4 | 12% | 0.12 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 136 | 177.8 | -67.5 | 176.9 | 0 | 0 | 0 | 108 | I426 L440 E441 I442 L495 Y509 L558 | I426-L429 HydrophobicContact CG2-CD2 3.87Å; I426-L429 HydrophobicContact CG2-CG 4.03Å; L429-L440 HydrophobicContact CB-CD1 4.23Å; L429-L440 HydrophobicContact CD2-CD2 4.33Å; L429-L440 HydrophobicContact CD2-CG 4.45Å; L429-E441 WeakPolarHBondContact CA-O 3.48Å; L429-I442 HydrophobicContact CD2-CB 3.98Å; L429-I442 HydrophobicContact CD2-CG1 3.63Å; L429-I442 HydrophobicContact CD2-CG2 3.82Å; L429-L495 HydrophobicContact CD1-CD1 3.64Å; L429-Y509 HydrophobicContact CD1-CD1 3.69Å; L429-Y509 HydrophobicContact CD1-CD2 4.29Å; L429-Y509 HydrophobicContact CD1-CE1 4.41Å; L429-Y509 HydrophobicContact CD1-CG 3.61Å; L429-Y509 HydrophobicContact CG-CD1 4.39Å; L429-Y509 HydrophobicContact CG-CG 4.47Å; L429-L558 HydrophobicContact CB-CD1 3.97Å; L429-L558 HydrophobicContact CB-CD2 3.65Å; L429-L558 HydrophobicContact CB-CG 4.48Å; L429-L558 HydrophobicContact CD1-CD2 3.6Å; L429-L558 HydrophobicContact CG-CD2 4.28Å; L429-L558 WeakPolarHBondContact O-CD1 3.43Å |
| 430 | E | 93.3 | Very high | 86.4 | Confident | 100 Ų | 100 | 47.2 Ų | 47.2 | 47% | 0.467 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 127.5 | 179.4 | -174.6 | 173.6 | -168.6 | 0 | 0 | 108.9 | E441 H443 | E430-E441 HydrophobicContact CB-CB 4.48Å; E430-E441 PolarHBondContact N-O 3.05Å; E430-E441 PolarHBondContact O-N 3.48Å; E430-H443 IonicContact OE2-CE1 3.64Å |
| 431 | V | 90.9 | Very high | 86.5 | Confident | 30 Ų | 30 | 48.6 Ų | 48.6 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.5 | 176.7 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | L440 I474 F511 F556 L558 | V431-L440 HydrophobicContact CG2-CD1 3.75Å; V431-I474 HydrophobicContact CG1-CD1 3.76Å; V431-F511 HydrophobicContact CG2-CE2 4.01Å; V431-F556 HydrophobicContact CB-CB 4.16Å; V431-F556 HydrophobicContact CB-CD2 4.02Å; V431-F556 HydrophobicContact CB-CG 4.19Å; V431-F556 HydrophobicContact CG1-CB 4.23Å; V431-F556 HydrophobicContact CG1-CD1 4.29Å; V431-F556 HydrophobicContact CG1-CD2 3.34Å; V431-F556 HydrophobicContact CG1-CE2 3.6Å; V431-F556 HydrophobicContact CG1-CG 3.71Å; V431-F556 HydrophobicContact CG1-CZ 4.2Å; V431-F556 HydrophobicContact CG2-CB 4.07Å; V431-F556 HydrophobicContact CG2-CG 4.37Å; V431-L558 HydrophobicContact CG2-CD1 4.23Å |
| 432 | N | 86.9 | Confident | 86.7 | Confident | 52 Ų | 52 | 47.5 Ų | 47.5 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 137.1 | -178.9 | -71.3 | -34.3 | 0 | 0 | 0 | 110.2 | M439 E441 | N432-M439 PolarHBondContact N-O 3.42Å; N432-M439 PolarHBondContact O-N 2.83Å; N432-M439 VanDerWaalsContact O-O 3.12Å; N432-E441 PolarHBondContact ND2-OE2 2.74Å |
| 433 | G | 75.9 | Confident | 87 | Confident | 58 Ų | 58 | 47 Ų | 47 | 60% | 0.598 | 28% | 0.282 | S | S | * | . | trans | 92.8 | -179.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 434 | G | 64.3 | Low | 87 | Confident | 39 Ų | 39 | 46.3 Ų | 46.3 | 40% | 0.402 | 28% | 0.281 | S | S | . | . | trans | -170.3 | 147.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 435 | G | 63.3 | Low | 87 | Confident | 51 Ų | 51 | 50 Ų | 50 | 53% | 0.526 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 93.2 | -127.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | V437 | G435-V437 PolarHBondContact O-N 2.96Š|
| 436 | H | 59.9 | Low | 87.1 | Confident | 203 Ų | 203 | 51.1 Ų | 51.1 | 94% | 0.94 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -70.1 | -25.3 | -169.3 | -67.6 | -58.3 | 0 | 0 | 0 | 115.5 | ||
| 437 | V | 78 | Confident | 87.2 | Confident | 87 Ų | 87 | 50.7 Ų | 50.7 | 53% | 0.527 | 30% | 0.302 | S | S | . | . | trans | -139.7 | 104.4 | 178.1 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | G435 M439 V473 | G435-V437 PolarHBondContact O-N 2.96Å; V437-M439 HydrophobicContact CG1-CG 4.16Å; V437-M439 HydrophobicContact CG1-SD 3.53Å; V437-M439 VanDerWaalsContact CG1-SD 3.53Å; V437-V473 HydrophobicContact CG1-CG1 4.33Å | ||
| 438 | A | 88.1 | Confident | 87.3 | Confident | 16 Ų | 16 | 48 Ų | 48 | 13% | 0.132 | 29% | 0.29 | C | S | . | . | trans | -94.4 | 137.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109 | I474 F556 | A438-I474 HydrophobicContact CB-CB 4.18Å; A438-I474 HydrophobicContact CB-CD1 3.86Å; A438-I474 HydrophobicContact CB-CG1 4.47Å; A438-I474 WeakPolarHBondContact O-CB 3.31Å; A438-I474 PolarHBondContact O-N 3.5Å; A438-F556 HydrophobicContact CB-CZ 4.26Å | ||
| 439 | M | 92.1 | Very high | 87.5 | Confident | 28 Ų | 28 | 51.1 Ų | 51.1 | 14% | 0.138 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 143.6 | -176.7 | -58 | -63.1 | -63.9 | 0 | 0 | 110 | N432 V437 M463 L471 C472 V473 | N432-M439 PolarHBondContact N-O 3.42Å; N432-M439 PolarHBondContact O-N 2.83Å; N432-M439 VanDerWaalsContact O-O 3.12Å; V437-M439 HydrophobicContact CG1-CG 4.16Å; V437-M439 HydrophobicContact CG1-SD 3.53Å; V437-M439 VanDerWaalsContact CG1-SD 3.53Å; M439-M463 HydrophobicContact CE-CE 3.2Å; M439-L471 HydrophobicContact CB-CD1 3.96Å; M439-L471 HydrophobicContact CE-CD1 4.22Å; M439-L471 HydrophobicContact CE-CD2 3.88Å; M439-L471 HydrophobicContact CE-CG 3.64Å; M439-C472 CarbonylContact C-O 3.56Å; M439-C472 WeakPolarHBondContact CA-O 3.42Å; M439-V473 HydrophobicContact CE-CB 4.4Å; M439-V473 HydrophobicContact CE-CG2 3.73Å; M439-V473 HydrophobicContact SD-CB 4.04Å; M439-V473 HydrophobicContact SD-CG1 4.28Å; M439-V473 HydrophobicContact SD-CG2 3.65Å |
| 440 | L | 94.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 115.1 | 172.2 | -178.4 | 71.5 | 0 | 0 | 0 | 108.9 | L429 V431 I442 F455 C472 I474 L495 | L429-L440 HydrophobicContact CB-CD1 4.23Å; L429-L440 HydrophobicContact CD2-CD2 4.33Å; L429-L440 HydrophobicContact CD2-CG 4.45Å; V431-L440 HydrophobicContact CG2-CD1 3.75Å; L440-I442 HydrophobicContact CD2-CG1 4.35Å; L440-I442 HydrophobicContact CG-CG1 4.25Å; L440-F455 HydrophobicContact CB-CZ 4.45Å; L440-F455 HydrophobicContact CD2-CE1 4.33Å; L440-F455 HydrophobicContact CD2-CZ 3.86Å; L440-C472 PolarHBondContact N-O 2.91Å; L440-C472 PolarHBondContact O-N 3.33Å; L440-I474 HydrophobicContact CB-CD1 4.13Å; L440-I474 HydrophobicContact CB-CG1 3.9Å; L440-L495 HydrophobicContact CD2-CD1 4.05Å |
| 441 | E | 95.3 | Very high | 87.6 | Confident | 28 Ų | 28 | 50.7 Ų | 50.7 | 13% | 0.131 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 128 | 170.8 | -174 | 153.4 | -158 | 0 | 0 | 110.5 | L429 E430 N432 H443 K465 S469 L471 | L429-E441 WeakPolarHBondContact CA-O 3.48Å; E430-E441 HydrophobicContact CB-CB 4.48Å; E430-E441 PolarHBondContact N-O 3.05Å; E430-E441 PolarHBondContact O-N 3.48Å; N432-E441 PolarHBondContact ND2-OE2 2.74Å; E441-H443 IonicContact OE1-NE2 2.71Å; E441-K465 IonicContact OE1-NZ 2.62Å; E441-K465 PolarHBondContact OE1-NZ 3.22Å; E441-K465 IonicContact OE2-NZ 2.7Å; E441-K465 PolarHBondContact OE2-NZ 3.48Å; E441-K465 VanDerWaalsContact OE2-NZ 3.14Å; E441-S469 PolarHBondContact OE1-OG 2.96Å; E441-L471 HydrophobicContact CB-CD1 3.92Å |
| 442 | I | 95.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 114.1 | -172.9 | -55.5 | 138.9 | 0 | 0 | 0 | 107.8 | I426 L429 L440 F447 M453 S469 L470 | I426-I442 HydrophobicContact CD1-CG2 4.03Å; I426-I442 HydrophobicContact CG1-CG2 3.93Å; I426-I442 HydrophobicContact CG2-CG2 4.06Å; L429-I442 HydrophobicContact CD2-CB 3.98Å; L429-I442 HydrophobicContact CD2-CG1 3.63Å; L429-I442 HydrophobicContact CD2-CG2 3.82Å; L440-I442 HydrophobicContact CD2-CG1 4.35Å; L440-I442 HydrophobicContact CG-CG1 4.25Å; I442-F447 HydrophobicContact CG2-CE2 4.1Å; I442-F447 HydrophobicContact CG2-CZ 3.71Å; I442-M453 HydrophobicContact CD1-CB 4.48Å; I442-M453 HydrophobicContact CD1-CE 3.28Å; I442-M453 HydrophobicContact CG1-CE 3.64Å; I442-M453 HydrophobicContact CG2-CE 4.4Å; I442-S469 VanDerWaalsContact O-CA 3.3Å; I442-S469 WeakPolarHBondContact O-CA 3.49Å; I442-L470 HydrophobicContact CB-CB 4.19Å; I442-L470 HydrophobicContact CD1-CB 3.87Å; I442-L470 PolarHBondContact N-O 2.83Å; I442-L470 PolarHBondContact O-N 2.89Å |
| 443 | H | 96.3 | Very high | 88.3 | Confident | 72 Ų | 72 | 50.7 Ų | 50.7 | 33% | 0.333 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 135 | 178.9 | -65.2 | 98.6 | 0 | 0 | 0 | 110.5 | N427 G428 E430 E441 | N427-H443 PolarHBondContact N-O 3.2Å; G428-H443 PolarHBondContact N-O 3.14Å; G428-H443 VanDerWaalsContact N-O 3.11Å; G428-H443 PolarHBondContact O-N 2.9Å; E430-H443 IonicContact OE2-CE1 3.64Å; E441-H443 IonicContact OE1-NE2 2.71Å |
| 444 | G | 94.6 | Very high | 89.2 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 7% | 0.072 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.5 | -152.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I425 K468 | I425-G444 CarbonylContact O-C 3.53Å; I425-G444 WeakPolarHBondContact O-CA 3.22Å; G444-K468 PolarHBondContact N-O 3.05Å; G444-K468 WeakPolarHBondContact O-CA 3.2Å; G444-K468 WeakPolarHBondContact O-CB 3.26Å |
| 445 | E | 93.9 | Very high | 90.5 | Very high | 85 Ų | 85 | 46.8 Ų | 46.8 | 40% | 0.397 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 158.6 | -179.9 | -61.3 | -178.4 | -174.5 | 0 | 0 | 110.4 | I425 F447 P467 | I425-E445 HydrophobicContact CB-CB 4.45Å; I425-E445 PolarHBondContact N-O 2.76Å; I425-E445 PolarHBondContact O-N 2.69Å; E445-F447 VanDerWaalsContact C-N 3.28Å; E445-F447 PolarHBondContact O-N 2.87Å; E445-P467 CarbonylContact C-O 3.58Å |
| 446 | N | 94.3 | Very high | 91.8 | Very high | 65 Ų | 65 | 45.6 Ų | 45.6 | 35% | 0.348 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 60.8 | 29.1 | 176.7 | -59.5 | -31.2 | 0 | 0 | 0 | 115 | P422 F423 P467 | P422-N446 HydrophobicContact CB-CB 4.03Å; F423-N446 WeakPolarHBondContact O-CB 3.39Å; F423-N446 PolarHBondContact O-ND2 3.13Å; N446-P467 PolarHBondContact N-O 2.72Å; N446-P467 VanDerWaalsContact N-O 3.14Å |
| 447 | F | 96.2 | Very high | 93 | Very high | 9 Ų | 9 | 42 Ų | 42 | 4% | 0.039 | 23% | 0.23 | C | C | . | . | trans | -75.9 | 151.4 | 172.6 | -58.7 | -37.5 | 0 | 0 | 0 | 112 | P424 I426 I442 E445 L451 F464 P467 L470 L497 | P424-F447 HydrophobicContact CB-CD1 3.93Å; P424-F447 HydrophobicContact CB-CE1 3.98Å; I426-F447 HydrophobicContact CG1-CE1 4.35Å; I426-F447 HydrophobicContact CG1-CZ 4.18Å; I442-F447 HydrophobicContact CG2-CE2 4.1Å; I442-F447 HydrophobicContact CG2-CZ 3.71Å; E445-F447 VanDerWaalsContact C-N 3.28Å; E445-F447 PolarHBondContact O-N 2.87Å; F447-L451 HydrophobicContact CD1-CD1 4.13Å; F447-F464 HydrophobicContact CB-CE2 4.29Å; F447-P467 PolarHBondContact N-O 2.85Å; F447-P467 WeakPolarHBondContact O-CA 3.29Å; F447-L470 HydrophobicContact CB-CD1 4.14Å; F447-L470 HydrophobicContact CB-CD2 4.02Å; F447-L470 HydrophobicContact CB-CG 3.89Å; F447-L470 HydrophobicContact CD1-CD1 3.8Å; F447-L470 HydrophobicContact CD1-CG 4.25Å; F447-L470 HydrophobicContact CD2-CD1 4.17Å; F447-L470 HydrophobicContact CD2-CG 3.73Å; F447-L470 HydrophobicContact CE1-CD1 4.24Å; F447-L470 HydrophobicContact CE2-CG 4.3Å; F447-L470 HydrophobicContact CG-CD1 3.78Å; F447-L470 HydrophobicContact CG-CD2 4.39Å; F447-L470 HydrophobicContact CG-CG 3.7Å; F447-L497 HydrophobicContact CD1-CD1 4.47Å; F447-L497 HydrophobicContact CE1-CD1 3.99Å | ||
| 448 | S | 94.6 | Very high | 93.5 | Very high | 32 Ų | 32 | 43.3 Ų | 43.3 | 22% | 0.224 | 23% | 0.225 | C | C | . | . | trans | -139.1 | 160.9 | 175.7 | 74.9 | 0 | 0 | 0 | 0 | 110.6 | H450 L451 F464 | S448-H450 PolarHBondContact O-N 3.49Å; S448-H450 PolarHBondContact OG-N 2.88Å; S448-L451 PolarHBondContact O-N 2.76Å; S448-L451 VanDerWaalsContact O-N 3.15Å; S448-F464 VanDerWaalsContact C-CD2 3.41Å | ||
| 449 | P | 95.2 | Very high | 93.7 | Very high | 88 Ų | 88 | 47.6 Ų | 47.6 | 57% | 0.571 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -13.6 | 175.2 | -21.8 | 32.8 | 0 | 0 | 0 | 114.5 | L451 F464 | P449-L451 VanDerWaalsContact C-N 3.33Å; P449-F464 HydrophobicContact CB-CB 4.33Å; P449-F464 HydrophobicContact CB-CD1 4.47Å; P449-F464 HydrophobicContact CB-CG 4.3Å; P449-F464 HydrophobicContact CG-CB 4.47Å; P449-F464 HydrophobicContact CG-CD1 3.77Å; P449-F464 HydrophobicContact CG-CD2 4.33Å; P449-F464 HydrophobicContact CG-CE1 3.99Å; P449-F464 HydrophobicContact CG-CG 3.93Å; P449-F464 HydrophobicContact CG-CZ 4.36Å |
| 450 | H | 94.4 | Very high | 93.8 | Very high | 107 Ų | 107 | 46.5 Ų | 46.5 | 50% | 0.495 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 1.6 | -179.7 | -53.9 | -56.8 | 0 | 0 | 0 | 113.2 | S448 R499 T500 | S448-H450 PolarHBondContact O-N 3.49Å; S448-H450 PolarHBondContact OG-N 2.88Å; H450-R499 HydrophobicContact CB-CG 4.32Å; H450-R499 CarbonylContact O-C 3.56Å; H450-R499 VanDerWaalsContact O-CA 3.29Å; H450-R499 WeakPolarHBondContact O-CA 3.37Å; H450-T500 HydrophobicContact CB-CG2 3.94Å; H450-T500 PolarHBondContact O-N 3.21Å |
| 451 | L | 95.7 | Very high | 93.7 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 138.5 | 177.8 | -63.8 | 177.2 | 0 | 0 | 0 | 111 | P424 F447 S448 P449 L470 I498 R499 Y505 | P424-L451 HydrophobicContact CB-CD1 3.93Å; P424-L451 HydrophobicContact CG-CD1 4.3Å; F447-L451 HydrophobicContact CD1-CD1 4.13Å; S448-L451 PolarHBondContact O-N 2.76Å; S448-L451 VanDerWaalsContact O-N 3.15Å; P449-L451 VanDerWaalsContact C-N 3.33Å; L451-L470 HydrophobicContact CB-CD1 4.36Å; L451-I498 CarbonylContact C-O 3.44Å; L451-I498 WeakPolarHBondContact CA-O 3.39Å; L451-R499 HydrophobicContact CD2-CB 3.94Å; L451-R499 HydrophobicContact CD2-CG 4.31Å; L451-Y505 HydrophobicContact CD2-CD2 4.19Å; L451-Y505 HydrophobicContact CD2-CE2 3.75Å |
| 452 | K | 95.8 | Very high | 93.8 | Very high | 83 Ų | 83 | 53.2 Ų | 53.2 | 36% | 0.361 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 149.2 | 171.4 | -60.4 | -173.8 | -178.8 | -172.5 | 0 | 110.7 | E459 L497 I498 | K452-E459 HydrophobicContact CB-CG 4.09Å; K452-E459 HydrophobicContact CD-CG 3.85Å; K452-E459 WeakPolarHBondContact CD-OE1 3.32Å; K452-E459 VanDerWaalsContact CE-OE1 3.32Å; K452-E459 WeakPolarHBondContact CE-OE1 3.43Å; K452-E459 IonicContact NZ-OE1 2.72Å; K452-E459 PolarHBondContact NZ-OE1 2.79Å; K452-L497 CarbonylContact O-C 3.52Å; K452-L497 WeakPolarHBondContact O-CA 3.44Å; K452-I498 HydrophobicContact CB-CG2 3.97Å; K452-I498 PolarHBondContact N-O 3.42Å; K452-I498 PolarHBondContact O-N 2.96Å |
| 453 | M | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 136.8 | 176 | -175.7 | 60.8 | 76.5 | 0 | 0 | 110.5 | I426 I442 F455 A460 T462 C472 L495 L497 | I426-M453 HydrophobicContact CD1-CE 4.35Å; I442-M453 HydrophobicContact CD1-CB 4.48Å; I442-M453 HydrophobicContact CD1-CE 3.28Å; I442-M453 HydrophobicContact CG1-CE 3.64Å; I442-M453 HydrophobicContact CG2-CE 4.4Å; M453-F455 HydrophobicContact CB-CE2 4.42Å; M453-F455 HydrophobicContact CG-CD2 4.01Å; M453-F455 HydrophobicContact CG-CE2 3.66Å; M453-F455 HydrophobicContact CG-CZ 4.37Å; M453-A460 HydrophobicContact CB-CB 4.48Å; M453-A460 PolarHBondContact O-N 3.04Å; M453-T462 PolarHBondContact N-OG1 3.1Å; M453-C472 HydrophobicContact CB-CB 4.05Å; M453-L495 HydrophobicContact SD-CB 4.08Å; M453-L495 HydrophobicContact SD-CD2 4.2Å; M453-L497 HydrophobicContact CE-CD2 3.85Å; M453-L497 HydrophobicContact SD-CD2 4.17Å |
| 454 | L | 94.7 | Very high | 93.8 | Very high | 15 Ų | 15 | 57.4 Ų | 57.4 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 129.4 | 170.2 | -68.2 | 173.8 | 0 | 0 | 0 | 109.4 | R458 E459 L495 S496 I498 I504 | L454-R458 CarbonylContact C-O 3.6Å; L454-R458 VanDerWaalsContact CA-O 3.27Å; L454-R458 WeakPolarHBondContact CA-O 3.46Å; L454-E459 HydrophobicContact CD2-CB 4.01Å; L454-L495 WeakPolarHBondContact O-CA 3.49Å; L454-S496 WeakPolarHBondContact CB-O 3.22Å; L454-S496 PolarHBondContact N-O 2.82Å; L454-S496 PolarHBondContact O-N 2.83Å; L454-S496 VanDerWaalsContact O-N 3.07Å; L454-I498 HydrophobicContact CD1-CB 3.79Å; L454-I498 HydrophobicContact CD1-CD1 4.34Å; L454-I498 HydrophobicContact CD1-CG2 4.09Å; L454-I498 HydrophobicContact CD2-CG2 4.02Å; L454-I498 HydrophobicContact CG-CB 4.05Å; L454-I498 HydrophobicContact CG-CG2 3.8Å; L454-I504 HydrophobicContact CD1-CD1 4.45Å; L454-I504 HydrophobicContact CD1-CG1 4.42Å; L454-I504 HydrophobicContact CD1-CG2 4.26Å |
| 455 | F | 93.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 102.6 | 167.9 | -72.3 | -104.7 | 0 | 0 | 0 | 107.5 | L440 M453 N457 R458 A460 I474 P475 Y480 L493 L495 F511 | L440-F455 HydrophobicContact CB-CZ 4.45Å; L440-F455 HydrophobicContact CD2-CE1 4.33Å; L440-F455 HydrophobicContact CD2-CZ 3.86Å; M453-F455 HydrophobicContact CB-CE2 4.42Å; M453-F455 HydrophobicContact CG-CD2 4.01Å; M453-F455 HydrophobicContact CG-CE2 3.66Å; M453-F455 HydrophobicContact CG-CZ 4.37Å; F455-N457 PolarHBondContact O-N 2.91Å; F455-R458 PolarHBondContact N-O 3.2Å; F455-R458 PolarHBondContact O-N 2.9Å; F455-A460 HydrophobicContact CD2-CB 3.67Å; F455-A460 HydrophobicContact CE2-CB 3.57Å; F455-I474 HydrophobicContact CE1-CG1 4.44Å; F455-I474 HydrophobicContact CE1-CG2 4.36Å; F455-I474 HydrophobicContact CZ-CG1 4.13Å; F455-P475 HydrophobicContact CB-CG 4.37Å; F455-P475 HydrophobicContact CD2-CG 3.95Å; F455-P475 HydrophobicContact CE2-CG 4.43Å; F455-P475 HydrophobicContact CG-CG 4.19Å; F455-Y480 WeakPolarHBondContact CB-OH 3.41Å; F455-Y480 WeakPolarHBondContact O-CE1 3.42Å; F455-Y480 PolarHBondContact O-OH 3.06Å; F455-L493 HydrophobicContact CB-CD1 4.13Å; F455-L495 HydrophobicContact CD1-CD2 3.55Å; F455-L495 HydrophobicContact CD2-CD2 4.39Å; F455-L495 HydrophobicContact CE1-CD2 3.71Å; F455-L495 HydrophobicContact CG-CD2 3.92Å; F455-L495 HydrophobicContact CZ-CD2 4.21Å; F455-F511 HydrophobicContact CD1-CB 4.05Å; F455-F511 HydrophobicContact CD1-CD1 4.22Å; F455-F511 HydrophobicContact CD1-CG 4.11Å; F455-F511 HydrophobicContact CE1-CB 4.01Å; F455-F511 HydrophobicContact CE1-CD1 4.08Å; F455-F511 HydrophobicContact CE1-CD2 4.04Å; F455-F511 AromaticContact CE1-CG 3.75Å; F455-F511 HydrophobicContact CE1-CG 3.75Å |
| 456 | G | 88.9 | Confident | 94 | Very high | 25 Ų | 25 | 60 Ų | 60 | 26% | 0.258 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | -108.2 | -168 | 0 | 0 | 0 | 0 | 0 | 111.1 | P494 | G456-P494 PolarHBondContact N-O 2.8Š|
| 457 | N | 84.9 | Confident | 94.1 | Very high | 127 Ų | 127 | 60.7 Ų | 60.7 | 68% | 0.679 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 9 | 178.5 | 66.3 | -14.6 | 0 | 0 | 0 | 113.6 | F455 | F455-N457 PolarHBondContact O-N 2.91Š|
| 458 | R | 89.3 | Confident | 94.1 | Very high | 116 Ų | 116 | 66.9 Ų | 66.9 | 44% | 0.438 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 131.9 | -177.4 | -63.2 | -63.1 | -177.8 | -175.7 | -2.8 | 111.3 | L454 F455 V479 Y480 | L454-R458 CarbonylContact C-O 3.6Å; L454-R458 VanDerWaalsContact CA-O 3.27Å; L454-R458 WeakPolarHBondContact CA-O 3.46Å; F455-R458 PolarHBondContact N-O 3.2Å; F455-R458 PolarHBondContact O-N 2.9Å; R458-V479 HydrophobicContact CG-CG1 3.97Å; R458-Y480 HydrophobicContact CB-CE1 3.93Å; R458-Y480 HydrophobicContact CG-CD1 4.26Å; R458-Y480 HydrophobicContact CG-CE1 3.5Å; R458-Y480 VanDerWaalsContact CG-CE1 3.5Å |
| 459 | E | 93.1 | Very high | 94.2 | Very high | 106 Ų | 106 | 66 Ų | 66 | 50% | 0.495 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 127.9 | 174.1 | -170 | 179.8 | 126.5 | 0 | 0 | 110.5 | K452 L454 | K452-E459 HydrophobicContact CB-CG 4.09Å; K452-E459 HydrophobicContact CD-CG 3.85Å; K452-E459 WeakPolarHBondContact CD-OE1 3.32Å; K452-E459 VanDerWaalsContact CE-OE1 3.32Å; K452-E459 WeakPolarHBondContact CE-OE1 3.43Å; K452-E459 IonicContact NZ-OE1 2.72Å; K452-E459 PolarHBondContact NZ-OE1 2.79Å; L454-E459 HydrophobicContact CD2-CB 4.01Å |
| 460 | A | 93.1 | Very high | 94.3 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.033 | 31% | 0.305 | C | S | . | . | trans | -95.1 | 146.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | M453 F455 T462 C472 V473 P475 | M453-A460 HydrophobicContact CB-CB 4.48Å; M453-A460 PolarHBondContact O-N 3.04Å; F455-A460 HydrophobicContact CD2-CB 3.67Å; F455-A460 HydrophobicContact CE2-CB 3.57Å; A460-T462 PolarHBondContact O-N 3.1Å; A460-T462 PolarHBondContact O-OG1 2.92Å; A460-C472 HydrophobicContact CB-CB 4.25Å; A460-V473 WeakPolarHBondContact CB-O 3.14Å; A460-P475 HydrophobicContact CB-CG 4.14Å | ||
| 461 | E | 93.3 | Very high | 94.3 | Very high | 144 Ų | 144 | 57.9 Ų | 57.9 | 67% | 0.673 | 29% | 0.288 | S | S | * | . | trans | -62 | 114.1 | 169.9 | -173.5 | 172.4 | -170 | 0 | 0 | 109 | C472 V473 | E461-C472 CarbonylContact O-C 3.55Å; E461-C472 WeakPolarHBondContact O-CA 3.37Å; E461-C472 WeakPolarHBondContact O-CB 3.25Å; E461-V473 HydrophobicContact CB-CB 4.31Å; E461-V473 HydrophobicContact CB-CG2 4.02Å; E461-V473 HydrophobicContact CG-CG2 4.44Å; E461-V473 PolarHBondContact O-N 3.43Å | ||
| 462 | T | 96.1 | Very high | 94.3 | Very high | 26 Ų | 26 | 57.6 Ų | 57.6 | 16% | 0.16 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 124.9 | -171.5 | -54.5 | 0 | 0 | 0 | 0 | 109.7 | M453 A460 L470 C472 | M453-T462 PolarHBondContact N-OG1 3.1Å; A460-T462 PolarHBondContact O-N 3.1Å; A460-T462 PolarHBondContact O-OG1 2.92Å; T462-L470 HydrophobicContact CG2-CB 4.29Å; T462-L470 HydrophobicContact CG2-CD1 4.47Å; T462-L470 HydrophobicContact CG2-CD2 4.48Å; T462-C472 HydrophobicContact CG2-CB 4.2Å |
| 463 | M | 95.7 | Very high | 94.2 | Very high | 81 Ų | 81 | 55.5 Ų | 55.5 | 40% | 0.399 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 128.6 | 177 | -64.7 | 172.6 | -81.9 | 0 | 0 | 109.8 | M439 L471 | M439-M463 HydrophobicContact CE-CE 3.2Å; M463-L471 HydrophobicContact CB-CB 4.48Å; M463-L471 HydrophobicContact CE-CB 4.39Å; M463-L471 HydrophobicContact CE-CD2 3.65Å; M463-L471 HydrophobicContact CE-CG 3.93Å; M463-L471 PolarHBondContact N-O 2.7Å; M463-L471 PolarHBondContact O-N 2.76Å |
| 464 | F | 96.9 | Very high | 93.9 | Very high | 78 Ų | 78 | 56.2 Ų | 56.2 | 34% | 0.342 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 117.7 | 173.5 | 173.5 | -95.8 | 0 | 0 | 0 | 110.3 | F447 S448 P449 S466 P467 L470 | F447-F464 HydrophobicContact CB-CE2 4.29Å; S448-F464 VanDerWaalsContact C-CD2 3.41Å; P449-F464 HydrophobicContact CB-CB 4.33Å; P449-F464 HydrophobicContact CB-CD1 4.47Å; P449-F464 HydrophobicContact CB-CG 4.3Å; P449-F464 HydrophobicContact CG-CB 4.47Å; P449-F464 HydrophobicContact CG-CD1 3.77Å; P449-F464 HydrophobicContact CG-CD2 4.33Å; P449-F464 HydrophobicContact CG-CE1 3.99Å; P449-F464 HydrophobicContact CG-CG 3.93Å; P449-F464 HydrophobicContact CG-CZ 4.36Å; F464-S466 WeakPolarHBondContact CE2-O 3.4Å; F464-P467 HydrophobicContact CZ-CG 4.16Å; F464-L470 HydrophobicContact CB-CD2 4.1Å; F464-L470 HydrophobicContact CD2-CD2 3.72Å; F464-L470 HydrophobicContact CG-CD2 4.38Å |
| 465 | K | 95.4 | Very high | 93.7 | Very high | 106 Ų | 106 | 56.5 Ų | 56.5 | 46% | 0.461 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -50.8 | 172.8 | -69.8 | -177.1 | 176.1 | 176.5 | 0 | 111.1 | E441 S469 L471 | E441-K465 IonicContact OE1-NZ 2.62Å; E441-K465 PolarHBondContact OE1-NZ 3.22Å; E441-K465 IonicContact OE2-NZ 2.7Å; E441-K465 PolarHBondContact OE2-NZ 3.48Å; E441-K465 VanDerWaalsContact OE2-NZ 3.14Å; K465-S469 WeakPolarHBondContact CB-O 3.38Å; K465-S469 WeakPolarHBondContact CD-OG 3.47Å; K465-S469 PolarHBondContact N-O 3.31Å; K465-S469 VanDerWaalsContact N-O 3.15Å; K465-L471 HydrophobicContact CD-CB 4.39Å |
| 466 | S | 96.8 | Very high | 93.3 | Very high | 42 Ų | 42 | 60.9 Ų | 60.9 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 171.6 | -180 | 72.9 | 0 | 0 | 0 | 0 | 110.9 | F464 K468 S469 | F464-S466 WeakPolarHBondContact CE2-O 3.4Å; S466-K468 PolarHBondContact O-N 2.92Å; S466-K468 PolarHBondContact OG-N 2.92Å; S466-S469 PolarHBondContact N-O 2.8Å; S466-S469 PolarHBondContact O-N 2.71Å; S466-S469 PolarHBondContact OG-N 3.06Å |
| 467 | P | 96 | Very high | 93 | Very high | 78 Ų | 78 | 60.6 Ų | 60.6 | 51% | 0.506 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -7.4 | 172.5 | -25.2 | 35.7 | 0 | 0 | 0 | 115.2 | E445 N446 F447 F464 | E445-P467 CarbonylContact C-O 3.58Å; N446-P467 PolarHBondContact N-O 2.72Å; N446-P467 VanDerWaalsContact N-O 3.14Å; F447-P467 PolarHBondContact N-O 2.85Å; F447-P467 WeakPolarHBondContact O-CA 3.29Å; F464-P467 HydrophobicContact CZ-CG 4.16Å |
| 468 | K | 96.7 | Very high | 92.7 | Very high | 140 Ų | 140 | 56.4 Ų | 56.4 | 61% | 0.609 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.8 | -5.5 | 178.1 | -61.1 | -174 | 178.2 | -175.5 | 0 | 114.7 | G444 S466 | G444-K468 PolarHBondContact N-O 3.05Å; G444-K468 WeakPolarHBondContact O-CA 3.2Å; G444-K468 WeakPolarHBondContact O-CB 3.26Å; S466-K468 PolarHBondContact O-N 2.92Å; S466-K468 PolarHBondContact OG-N 2.92Å |
| 469 | S | 96.5 | Very high | 92.3 | Very high | 12 Ų | 12 | 54.2 Ų | 54.2 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 130 | -178.1 | 173.7 | 0 | 0 | 0 | 0 | 112.6 | E441 I442 K465 S466 | E441-S469 PolarHBondContact OE1-OG 2.96Å; I442-S469 VanDerWaalsContact O-CA 3.3Å; I442-S469 WeakPolarHBondContact O-CA 3.49Å; K465-S469 WeakPolarHBondContact CB-O 3.38Å; K465-S469 WeakPolarHBondContact CD-OG 3.47Å; K465-S469 PolarHBondContact N-O 3.31Å; K465-S469 VanDerWaalsContact N-O 3.15Å; S466-S469 PolarHBondContact N-O 2.8Å; S466-S469 PolarHBondContact O-N 2.71Å; S466-S469 PolarHBondContact OG-N 3.06Å |
| 470 | L | 96.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 152.1 | 167.2 | -63.2 | 174 | 0 | 0 | 0 | 108.8 | I442 F447 L451 T462 F464 L497 | I442-L470 HydrophobicContact CB-CB 4.19Å; I442-L470 HydrophobicContact CD1-CB 3.87Å; I442-L470 PolarHBondContact N-O 2.83Å; I442-L470 PolarHBondContact O-N 2.89Å; F447-L470 HydrophobicContact CB-CD1 4.14Å; F447-L470 HydrophobicContact CB-CD2 4.02Å; F447-L470 HydrophobicContact CB-CG 3.89Å; F447-L470 HydrophobicContact CD1-CD1 3.8Å; F447-L470 HydrophobicContact CD1-CG 4.25Å; F447-L470 HydrophobicContact CD2-CD1 4.17Å; F447-L470 HydrophobicContact CD2-CG 3.73Å; F447-L470 HydrophobicContact CE1-CD1 4.24Å; F447-L470 HydrophobicContact CE2-CG 4.3Å; F447-L470 HydrophobicContact CG-CD1 3.78Å; F447-L470 HydrophobicContact CG-CD2 4.39Å; F447-L470 HydrophobicContact CG-CG 3.7Å; L451-L470 HydrophobicContact CB-CD1 4.36Å; T462-L470 HydrophobicContact CG2-CB 4.29Å; T462-L470 HydrophobicContact CG2-CD1 4.47Å; T462-L470 HydrophobicContact CG2-CD2 4.48Å; F464-L470 HydrophobicContact CB-CD2 4.1Å; F464-L470 HydrophobicContact CD2-CD2 3.72Å; F464-L470 HydrophobicContact CG-CD2 4.38Å; L470-L497 HydrophobicContact CD1-CD2 4.1Å |
| 471 | L | 95.5 | Very high | 90.3 | Very high | 26 Ų | 26 | 53 Ų | 53 | 14% | 0.136 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 123.8 | 174.6 | -178.1 | 69.9 | 0 | 0 | 0 | 108.2 | M439 E441 M463 K465 | M439-L471 HydrophobicContact CB-CD1 3.96Å; M439-L471 HydrophobicContact CE-CD1 4.22Å; M439-L471 HydrophobicContact CE-CD2 3.88Å; M439-L471 HydrophobicContact CE-CG 3.64Å; E441-L471 HydrophobicContact CB-CD1 3.92Å; M463-L471 HydrophobicContact CB-CB 4.48Å; M463-L471 HydrophobicContact CE-CB 4.39Å; M463-L471 HydrophobicContact CE-CD2 3.65Å; M463-L471 HydrophobicContact CE-CG 3.93Å; M463-L471 PolarHBondContact N-O 2.7Å; M463-L471 PolarHBondContact O-N 2.76Å; K465-L471 HydrophobicContact CD-CB 4.39Å |
| 472 | C | 94.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 149.1 | 176.7 | 65.2 | 0 | 0 | 0 | 0 | 112.9 | M439 L440 M453 A460 E461 T462 | M439-C472 CarbonylContact C-O 3.56Å; M439-C472 WeakPolarHBondContact CA-O 3.42Å; L440-C472 PolarHBondContact N-O 2.91Å; L440-C472 PolarHBondContact O-N 3.33Å; M453-C472 HydrophobicContact CB-CB 4.05Å; A460-C472 HydrophobicContact CB-CB 4.25Å; E461-C472 CarbonylContact O-C 3.55Å; E461-C472 WeakPolarHBondContact O-CA 3.37Å; E461-C472 WeakPolarHBondContact O-CB 3.25Å; T462-C472 HydrophobicContact CG2-CB 4.2Å |
| 473 | V | 93.7 | Very high | 86.7 | Confident | 39 Ų | 39 | 54.8 Ų | 54.8 | 24% | 0.236 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 127 | 172.5 | -175.4 | 0 | 0 | 0 | 0 | 108.1 | V437 M439 A460 E461 P475 | V437-V473 HydrophobicContact CG1-CG1 4.33Å; M439-V473 HydrophobicContact CE-CB 4.4Å; M439-V473 HydrophobicContact CE-CG2 3.73Å; M439-V473 HydrophobicContact SD-CB 4.04Å; M439-V473 HydrophobicContact SD-CG1 4.28Å; M439-V473 HydrophobicContact SD-CG2 3.65Å; A460-V473 WeakPolarHBondContact CB-O 3.14Å; E461-V473 HydrophobicContact CB-CB 4.31Å; E461-V473 HydrophobicContact CB-CG2 4.02Å; E461-V473 HydrophobicContact CG-CG2 4.44Å; E461-V473 PolarHBondContact O-N 3.43Å; V473-P475 WeakPolarHBondContact O-CD 3.37Å |
| 474 | I | 91.8 | Very high | 84.7 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 8% | 0.077 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -73 | 121 | 175.5 | -63.9 | 168.4 | 0 | 0 | 0 | 107.6 | V431 A438 L440 F455 F511 Y513 | V431-I474 HydrophobicContact CG1-CD1 3.76Å; A438-I474 HydrophobicContact CB-CB 4.18Å; A438-I474 HydrophobicContact CB-CD1 3.86Å; A438-I474 HydrophobicContact CB-CG1 4.47Å; A438-I474 WeakPolarHBondContact O-CB 3.31Å; A438-I474 PolarHBondContact O-N 3.5Å; L440-I474 HydrophobicContact CB-CD1 4.13Å; L440-I474 HydrophobicContact CB-CG1 3.9Å; F455-I474 HydrophobicContact CE1-CG1 4.44Å; F455-I474 HydrophobicContact CE1-CG2 4.36Å; F455-I474 HydrophobicContact CZ-CG1 4.13Å; I474-F511 HydrophobicContact CD1-CE2 3.82Å; I474-F511 HydrophobicContact CD1-CZ 3.85Å; I474-F511 HydrophobicContact CG1-CE2 4.43Å; I474-F511 HydrophobicContact CG1-CZ 4.42Å; I474-F511 HydrophobicContact CG2-CE1 3.91Å; I474-F511 HydrophobicContact CG2-CZ 3.79Å; I474-Y513 HydrophobicContact CG2-CE1 4.07Å |
| 475 | P | 89.7 | Confident | 82.7 | Confident | 22 Ų | 22 | 58.8 Ų | 58.8 | 14% | 0.143 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 145.9 | 179.5 | -23.1 | 34.8 | 0 | 0 | 0 | 111.7 | F455 A460 V473 Y480 Y513 | F455-P475 HydrophobicContact CB-CG 4.37Å; F455-P475 HydrophobicContact CD2-CG 3.95Å; F455-P475 HydrophobicContact CE2-CG 4.43Å; F455-P475 HydrophobicContact CG-CG 4.19Å; A460-P475 HydrophobicContact CB-CG 4.14Å; V473-P475 WeakPolarHBondContact O-CD 3.37Å; P475-Y480 HydrophobicContact CB-CE2 4.16Å; P475-Y513 PolarHBondContact O-OH 3.14Å |
| 476 | D | 85.1 | Confident | 80.6 | Confident | 91 Ų | 91 | 58.7 Ų | 58.7 | 49% | 0.487 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 141.9 | 173 | -174 | -90 | 0 | 0 | 0 | 110.6 | S478 V479 | D476-S478 PolarHBondContact O-N 3.42Å; D476-S478 WeakPolarHBondContact OD1-CB 3.22Å; D476-S478 PolarHBondContact OD1-N 2.85Å; D476-S478 PolarHBondContact OD1-OG 2.83Å; D476-V479 VanDerWaalsContact O-CB 3.32Å; D476-V479 WeakPolarHBondContact O-CB 3.3Å; D476-V479 VanDerWaalsContact O-CG2 3.29Å; D476-V479 WeakPolarHBondContact O-CG2 3.38Å; D476-V479 PolarHBondContact O-N 2.91Å; D476-V479 VanDerWaalsContact O-N 3.1Å |
| 477 | V | 81.9 | Confident | 78.5 | Confident | 19 Ų | 19 | 62.8 Ų | 62.8 | 12% | 0.115 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -61.4 | -26.6 | -177.2 | 68.1 | 0 | 0 | 0 | 0 | 113.3 | V479 Y480 S481 W484 I491 Y513 | V477-V479 PolarHBondContact O-N 2.87Å; V477-Y480 PolarHBondContact O-N 2.83Å; V477-S481 PolarHBondContact O-N 3.06Å; V477-W484 HydrophobicContact CB-CD2 4.32Å; V477-W484 HydrophobicContact CB-CE3 3.87Å; V477-W484 HydrophobicContact CB-CZ3 4.09Å; V477-W484 HydrophobicContact CG1-CD2 4.05Å; V477-W484 HydrophobicContact CG1-CE3 3.26Å; V477-W484 HydrophobicContact CG1-CZ3 3.65Å; V477-W484 HydrophobicContact CG2-CB 4.34Å; V477-W484 HydrophobicContact CG2-CD2 3.39Å; V477-W484 HydrophobicContact CG2-CE3 3.42Å; V477-W484 VanDerWaalsContact CG2-CE3 3.42Å; V477-W484 HydrophobicContact CG2-CG 3.84Å; V477-W484 HydrophobicContact CG2-CH2 4.14Å; V477-W484 HydrophobicContact CG2-CZ2 4.14Å; V477-W484 HydrophobicContact CG2-CZ3 3.8Å; V477-I491 HydrophobicContact CG2-CD1 3.95Å; V477-Y513 HydrophobicContact CB-CD1 3.99Å; V477-Y513 HydrophobicContact CB-CE1 4.23Å; V477-Y513 HydrophobicContact CB-CG 4.42Å; V477-Y513 HydrophobicContact CG2-CD1 4.13Å; V477-Y513 HydrophobicContact CG2-CD2 4.48Å; V477-Y513 HydrophobicContact CG2-CG 4.05Å |
| 478 | S | 78.6 | Confident | 77 | Confident | 39 Ų | 39 | 66.5 Ų | 66.5 | 27% | 0.273 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -59.6 | -27 | 176.3 | 61.2 | 0 | 0 | 0 | 0 | 112.9 | D476 Y480 S481 | D476-S478 PolarHBondContact O-N 3.42Å; D476-S478 WeakPolarHBondContact OD1-CB 3.22Å; D476-S478 PolarHBondContact OD1-N 2.85Å; D476-S478 PolarHBondContact OD1-OG 2.83Å; S478-Y480 PolarHBondContact O-N 3.5Å; S478-Y480 VanDerWaalsContact O-N 3.1Å; S478-S481 CarbonylContact O-C 3.47Å; S478-S481 PolarHBondContact O-N 3.02Å |
| 479 | V | 80.9 | Confident | 75.8 | Confident | 70 Ų | 70 | 68.2 Ų | 68.2 | 42% | 0.424 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -60.4 | -23.8 | 177 | -178.7 | 0 | 0 | 0 | 0 | 112 | R458 D476 V477 | R458-V479 HydrophobicContact CG-CG1 3.97Å; D476-V479 VanDerWaalsContact O-CB 3.32Å; D476-V479 WeakPolarHBondContact O-CB 3.3Å; D476-V479 VanDerWaalsContact O-CG2 3.29Å; D476-V479 WeakPolarHBondContact O-CG2 3.38Å; D476-V479 PolarHBondContact O-N 2.91Å; D476-V479 VanDerWaalsContact O-N 3.1Å; V477-V479 PolarHBondContact O-N 2.87Å |
| 480 | Y | 76.4 | Confident | 75.1 | Confident | 50 Ų | 50 | 73.2 Ų | 73.2 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -24.3 | -179.6 | -53.7 | -77.3 | 0 | 0 | 0 | 113.2 | F455 R458 P475 V477 S478 L493 Y513 | F455-Y480 WeakPolarHBondContact CB-OH 3.41Å; F455-Y480 WeakPolarHBondContact O-CE1 3.42Å; F455-Y480 PolarHBondContact O-OH 3.06Å; R458-Y480 HydrophobicContact CB-CE1 3.93Å; R458-Y480 HydrophobicContact CG-CD1 4.26Å; R458-Y480 HydrophobicContact CG-CE1 3.5Å; R458-Y480 VanDerWaalsContact CG-CE1 3.5Å; P475-Y480 HydrophobicContact CB-CE2 4.16Å; V477-Y480 PolarHBondContact O-N 2.83Å; S478-Y480 PolarHBondContact O-N 3.5Å; S478-Y480 VanDerWaalsContact O-N 3.1Å; Y480-L493 HydrophobicContact CD1-CD1 3.86Å; Y480-L493 HydrophobicContact CD1-CD2 4.37Å; Y480-L493 HydrophobicContact CD2-CD1 3.94Å; Y480-L493 HydrophobicContact CE1-CD1 3.51Å; Y480-L493 HydrophobicContact CE2-CD1 3.61Å; Y480-L493 HydrophobicContact CG-CD1 4.06Å; Y480-Y513 HydrophobicContact CE2-CE2 4.35Å |
| 481 | S | 68.7 | Low | 74.5 | Confident | 34 Ų | 34 | 74.7 Ų | 74.7 | 24% | 0.238 | 37% | 0.368 | C | S | . | . | trans | -160.6 | 115.5 | 177.4 | -170.3 | 0 | 0 | 0 | 0 | 111.9 | V477 S478 S483 W484 | V477-S481 PolarHBondContact O-N 3.06Å; S478-S481 CarbonylContact O-C 3.47Å; S478-S481 PolarHBondContact O-N 3.02Å; S481-S483 PolarHBondContact O-N 2.96Å; S481-S483 VanDerWaalsContact O-N 3.12Å; S481-S483 PolarHBondContact OG-N 3.4Å; S481-S483 PolarHBondContact OG-OG 3.1Å; S481-W484 PolarHBondContact O-N 2.88Å; S481-W484 VanDerWaalsContact O-N 3.17Å | ||
| 482 | D | 59.1 | Low | 74.1 | Confident | 153 Ų | 153 | 77 Ų | 77 | 82% | 0.818 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.1 | 170.3 | -61.9 | -39.8 | 0 | 0 | 0 | 112.1 | ||
| 483 | S | 53.3 | Low | 73.9 | Confident | 56 Ų | 56 | 78 Ų | 78 | 39% | 0.392 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -5.2 | -176.6 | 74 | 0 | 0 | 0 | 0 | 114.4 | S481 R485 C486 F487 | S481-S483 PolarHBondContact O-N 2.96Å; S481-S483 VanDerWaalsContact O-N 3.12Å; S481-S483 PolarHBondContact OG-N 3.4Å; S481-S483 PolarHBondContact OG-OG 3.1Å; S483-R485 VanDerWaalsContact C-N 3.31Å; S483-R485 PolarHBondContact O-N 3.2Å; S483-C486 WeakPolarHBondContact O-CB 3.17Å; S483-C486 PolarHBondContact O-N 3.43Å; S483-F487 WeakPolarHBondContact O-CD2 3.32Å; S483-F487 PolarHBondContact O-N 2.95Å |
| 484 | W | 53.7 | Low | 73.9 | Confident | 40 Ų | 40 | 79.8 Ų | 79.8 | 15% | 0.152 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.8 | -34.8 | -174.9 | -151.5 | 65.7 | 0 | 0 | 0 | 113.5 | V477 S481 C486 F487 R488 R489 I491 P515 | V477-W484 HydrophobicContact CB-CD2 4.32Å; V477-W484 HydrophobicContact CB-CE3 3.87Å; V477-W484 HydrophobicContact CB-CZ3 4.09Å; V477-W484 HydrophobicContact CG1-CD2 4.05Å; V477-W484 HydrophobicContact CG1-CE3 3.26Å; V477-W484 HydrophobicContact CG1-CZ3 3.65Å; V477-W484 HydrophobicContact CG2-CB 4.34Å; V477-W484 HydrophobicContact CG2-CD2 3.39Å; V477-W484 HydrophobicContact CG2-CE3 3.42Å; V477-W484 VanDerWaalsContact CG2-CE3 3.42Å; V477-W484 HydrophobicContact CG2-CG 3.84Å; V477-W484 HydrophobicContact CG2-CH2 4.14Å; V477-W484 HydrophobicContact CG2-CZ2 4.14Å; V477-W484 HydrophobicContact CG2-CZ3 3.8Å; S481-W484 PolarHBondContact O-N 2.88Å; S481-W484 VanDerWaalsContact O-N 3.17Å; W484-C486 PolarHBondContact O-N 3.35Å; W484-C486 VanDerWaalsContact O-N 3.08Å; W484-F487 PolarHBondContact O-N 3.18Å; W484-R488 PolarHBondContact O-N 2.93Å; W484-R488 VanDerWaalsContact O-N 3.14Å; W484-R489 WeakPolarHBondContact CZ2-O 3.41Å; W484-R489 PolarHBondContact NE1-O 2.68Å; W484-I491 HydrophobicContact CD2-CD1 4.33Å; W484-I491 HydrophobicContact CG-CD1 3.91Å; W484-P515 HydrophobicContact CH2-CG 4.22Å; W484-P515 HydrophobicContact CZ2-CG 3.93Å |
| 485 | R | 55.3 | Low | 74 | Confident | 202 Ų | 202 | 79 Ų | 79 | 76% | 0.762 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -55.4 | -26.4 | 172.8 | -67.7 | -173.5 | 176 | -172.6 | -0.5 | 112.2 | S483 | S483-R485 VanDerWaalsContact C-N 3.31Å; S483-R485 PolarHBondContact O-N 3.2Å |
| 486 | C | 51.2 | Low | 74.3 | Confident | 104 Ų | 104 | 78.5 Ų | 78.5 | 70% | 0.703 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -99.2 | -32.1 | -178.6 | -57.1 | 0 | 0 | 0 | 0 | 113.6 | S483 W484 | S483-C486 WeakPolarHBondContact O-CB 3.17Å; S483-C486 PolarHBondContact O-N 3.43Å; W484-C486 PolarHBondContact O-N 3.35Å; W484-C486 VanDerWaalsContact O-N 3.08Å |
| 487 | F | 52.1 | Low | 74.8 | Confident | 128 Ų | 128 | 74.2 Ų | 74.2 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -106.4 | -6.3 | -169.4 | -73.3 | -77.3 | 0 | 0 | 0 | 116 | S483 W484 R489 | S483-F487 WeakPolarHBondContact O-CD2 3.32Å; S483-F487 PolarHBondContact O-N 2.95Å; W484-F487 PolarHBondContact O-N 3.18Å; F487-R489 VanDerWaalsContact C-N 3.29Å; F487-R489 HydrophobicContact CB-CG 4.4Å; F487-R489 VanDerWaalsContact O-CG 3.25Å; F487-R489 WeakPolarHBondContact O-CG 3.18Å; F487-R489 PolarHBondContact O-N 3.17Å |
| 488 | R | 66.4 | Low | 75.4 | Confident | 156 Ų | 156 | 74.8 Ų | 74.8 | 59% | 0.589 | 37% | 0.373 | S | S | * | . | trans | 35.4 | 55.4 | 173.1 | -65.7 | -168 | -176.5 | -158 | 3.7 | 113.3 | W484 P515 E516 | W484-R488 PolarHBondContact O-N 2.93Å; W484-R488 VanDerWaalsContact O-N 3.14Å; R488-P515 HydrophobicContact CB-CB 3.81Å; R488-P515 HydrophobicContact CB-CG 4.08Å; R488-P515 HydrophobicContact CG-CB 4.31Å; R488-P515 VanDerWaalsContact O-CG 3.26Å; R488-P515 WeakPolarHBondContact O-CG 3.2Å; R488-E516 PolarHBondContact NH1-O 3.22Å | ||
| 489 | R | 70.3 | Confident | 76.1 | Confident | 177 Ų | 177 | 74.5 Ų | 74.5 | 67% | 0.668 | 37% | 0.366 | S | S | * | . | trans | -102.9 | 152.7 | 178.8 | -65.2 | -169.4 | 178.8 | 171.6 | -1 | 110.7 | W484 F487 I491 | W484-R489 WeakPolarHBondContact CZ2-O 3.41Å; W484-R489 PolarHBondContact NE1-O 2.68Å; F487-R489 VanDerWaalsContact C-N 3.29Å; F487-R489 HydrophobicContact CB-CG 4.4Å; F487-R489 VanDerWaalsContact O-CG 3.25Å; F487-R489 WeakPolarHBondContact O-CG 3.18Å; F487-R489 PolarHBondContact O-N 3.17Å; R489-I491 PolarHBondContact O-N 2.81Å | ||
| 490 | I | 82 | Confident | 76.6 | Confident | 116 Ų | 116 | 76.2 Ų | 76.2 | 60% | 0.595 | 38% | 0.376 | S | S | * | . | trans | -67.6 | 129.9 | 171.5 | -61.5 | 173.5 | 0 | 0 | 0 | 109 | T512 Y513 | I490-T512 HydrophobicContact CG2-CG2 3.3Å; I490-Y513 WeakPolarHBondContact CA-O 3.45Å | ||
| 491 | I | 83.4 | Confident | 77.2 | Confident | 32 Ų | 32 | 76.3 Ų | 76.3 | 16% | 0.164 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 121.9 | 172.4 | -66.8 | 174.8 | 0 | 0 | 0 | 108.3 | V477 W484 R489 L493 T512 Y513 | V477-I491 HydrophobicContact CG2-CD1 3.95Å; W484-I491 HydrophobicContact CD2-CD1 4.33Å; W484-I491 HydrophobicContact CG-CD1 3.91Å; R489-I491 PolarHBondContact O-N 2.81Å; I491-L493 HydrophobicContact CG2-CD2 3.73Å; I491-L493 HydrophobicContact CG2-CG 3.97Å; I491-T512 CarbonylContact O-C 3.58Å; I491-T512 VanDerWaalsContact O-CA 3.3Å; I491-T512 WeakPolarHBondContact O-CA 3.3Å; I491-Y513 HydrophobicContact CB-CD2 4.3Å; I491-Y513 HydrophobicContact CG2-CD2 4.26Å; I491-Y513 PolarHBondContact N-O 3.15Å; I491-Y513 VanDerWaalsContact N-O 3.13Å; I491-Y513 PolarHBondContact O-N 3.09Å |
| 492 | T | 88.5 | Confident | 78.1 | Confident | 74 Ų | 74 | 76.1 Ų | 76.1 | 45% | 0.454 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124 | 173.9 | -58.6 | 0 | 0 | 0 | 0 | 109.6 | F511 T512 | T492-F511 CarbonylContact C-O 3.53Å; T492-F511 WeakPolarHBondContact CA-O 3.43Å; T492-T512 WeakPolarHBondContact CG2-OG1 3.45Å; T492-T512 WeakPolarHBondContact OG1-CG2 3.28Å; T492-T512 PolarHBondContact OG1-OG1 2.81Å |
| 493 | L | 90.6 | Very high | 79.7 | Confident | 21 Ų | 21 | 68.9 Ų | 68.9 | 11% | 0.11 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 137.1 | -180 | -57.5 | -178.2 | 0 | 0 | 0 | 110.2 | F455 Y480 I491 S510 F511 Y513 | F455-L493 HydrophobicContact CB-CD1 4.13Å; Y480-L493 HydrophobicContact CD1-CD1 3.86Å; Y480-L493 HydrophobicContact CD1-CD2 4.37Å; Y480-L493 HydrophobicContact CD2-CD1 3.94Å; Y480-L493 HydrophobicContact CE1-CD1 3.51Å; Y480-L493 HydrophobicContact CE2-CD1 3.61Å; Y480-L493 HydrophobicContact CG-CD1 4.06Å; I491-L493 HydrophobicContact CG2-CD2 3.73Å; I491-L493 HydrophobicContact CG2-CG 3.97Å; L493-S510 CarbonylContact O-C 3.51Å; L493-S510 WeakPolarHBondContact O-CA 3.49Å; L493-S510 WeakPolarHBondContact O-CB 3.29Å; L493-F511 PolarHBondContact N-O 2.64Å; L493-F511 PolarHBondContact O-N 3.27Å; L493-Y513 HydrophobicContact CD1-CE2 3.75Å; L493-Y513 HydrophobicContact CG-CE2 4.31Å |
| 494 | P | 92.8 | Very high | 81.6 | Confident | 76 Ų | 76 | 68 Ų | 68 | 49% | 0.494 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 143.5 | 171 | 30 | -33.5 | 0 | 0 | 0 | 110.2 | G456 | G456-P494 PolarHBondContact N-O 2.8Å |
| 495 | L | 94.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 138.7 | 172.9 | -64.9 | 179 | 0 | 0 | 0 | 110.3 | L429 L440 M453 L454 F455 T507 Y509 F511 | L429-L495 HydrophobicContact CD1-CD1 3.64Å; L440-L495 HydrophobicContact CD2-CD1 4.05Å; M453-L495 HydrophobicContact SD-CB 4.08Å; M453-L495 HydrophobicContact SD-CD2 4.2Å; L454-L495 WeakPolarHBondContact O-CA 3.49Å; F455-L495 HydrophobicContact CD1-CD2 3.55Å; F455-L495 HydrophobicContact CD2-CD2 4.39Å; F455-L495 HydrophobicContact CE1-CD2 3.71Å; F455-L495 HydrophobicContact CG-CD2 3.92Å; F455-L495 HydrophobicContact CZ-CD2 4.21Å; L495-T507 PolarHBondContact O-OG1 2.92Å; L495-Y509 PolarHBondContact N-O 2.74Å; L495-F511 HydrophobicContact CD1-CB 4.22Å; L495-F511 HydrophobicContact CD2-CB 3.87Å; L495-F511 HydrophobicContact CG-CB 4.11Å |
| 496 | S | 95.8 | Very high | 85.4 | Confident | 11 Ų | 11 | 60.6 Ų | 60.6 | 8% | 0.077 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 155.9 | 176.5 | -67.7 | 0 | 0 | 0 | 0 | 110.6 | L454 Y505 R506 | L454-S496 WeakPolarHBondContact CB-O 3.22Å; L454-S496 PolarHBondContact N-O 2.82Å; L454-S496 PolarHBondContact O-N 2.83Å; L454-S496 VanDerWaalsContact O-N 3.07Å; S496-Y505 WeakPolarHBondContact CA-O 3.42Å; S496-Y505 WeakPolarHBondContact CB-O 3.23Å; S496-R506 WeakPolarHBondContact OG-CD 3.4Å |
| 497 | L | 95.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 134 | 173.4 | -69.1 | 168.6 | 0 | 0 | 0 | 109.2 | P424 I426 F447 K452 M453 L470 I504 Y505 | P424-L497 HydrophobicContact CB-CD1 3.67Å; P424-L497 HydrophobicContact CG-CD1 3.81Å; I426-L497 HydrophobicContact CD1-CD1 4.2Å; I426-L497 HydrophobicContact CG1-CD1 4.37Å; F447-L497 HydrophobicContact CD1-CD1 4.47Å; F447-L497 HydrophobicContact CE1-CD1 3.99Å; K452-L497 CarbonylContact O-C 3.52Å; K452-L497 WeakPolarHBondContact O-CA 3.44Å; M453-L497 HydrophobicContact CE-CD2 3.85Å; M453-L497 HydrophobicContact SD-CD2 4.17Å; L470-L497 HydrophobicContact CD1-CD2 4.1Å; L497-I504 CarbonylContact O-C 3.48Å; L497-I504 WeakPolarHBondContact O-CA 3.49Å; L497-Y505 HydrophobicContact CB-CD2 4.21Å; L497-Y505 PolarHBondContact N-O 3.23Å; L497-Y505 PolarHBondContact O-N 3.41Å |
| 498 | I | 94.4 | Very high | 89.2 | Confident | 30 Ų | 30 | 54.6 Ų | 54.6 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 133.7 | 174.9 | -171.2 | 166.8 | 0 | 0 | 0 | 110.2 | L451 K452 L454 L503 I504 | L451-I498 CarbonylContact C-O 3.44Å; L451-I498 WeakPolarHBondContact CA-O 3.39Å; K452-I498 HydrophobicContact CB-CG2 3.97Å; K452-I498 PolarHBondContact N-O 3.42Å; K452-I498 PolarHBondContact O-N 2.96Å; L454-I498 HydrophobicContact CD1-CB 3.79Å; L454-I498 HydrophobicContact CD1-CD1 4.34Å; L454-I498 HydrophobicContact CD1-CG2 4.09Å; L454-I498 HydrophobicContact CD2-CG2 4.02Å; L454-I498 HydrophobicContact CG-CB 4.05Å; L454-I498 HydrophobicContact CG-CG2 3.8Å; I498-L503 CarbonylContact C-O 3.56Å; I498-L503 WeakPolarHBondContact CA-O 3.46Å; I498-I504 HydrophobicContact CB-CG1 4.44Å; I498-I504 HydrophobicContact CD1-CG1 4.08Å; I498-I504 HydrophobicContact CG1-CG1 4.08Å |
| 499 | R | 93.4 | Very high | 90.4 | Very high | 34 Ų | 34 | 48.9 Ų | 48.9 | 13% | 0.128 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 154.2 | 171.7 | -169.2 | 169.2 | 67 | -179 | 0.8 | 110 | T418 P419 H450 L451 D501 G502 L503 Y505 | T418-R499 PolarHBondContact OG1-NH2 3.39Å; P419-R499 PolarHBondContact O-NH1 2.86Å; P419-R499 PolarHBondContact O-NH2 2.83Å; P419-R499 VanDerWaalsContact O-NH2 3.11Å; H450-R499 HydrophobicContact CB-CG 4.32Å; H450-R499 CarbonylContact O-C 3.56Å; H450-R499 VanDerWaalsContact O-CA 3.29Å; H450-R499 WeakPolarHBondContact O-CA 3.37Å; L451-R499 HydrophobicContact CD2-CB 3.94Å; L451-R499 HydrophobicContact CD2-CG 4.31Å; R499-D501 VanDerWaalsContact CB-OD1 3.31Å; R499-D501 WeakPolarHBondContact CB-OD1 3.49Å; R499-D501 WeakPolarHBondContact CG-OD1 3.25Å; R499-D501 IonicContact CZ-OD1 2.68Å; R499-D501 IonicContact CZ-OD2 3.05Å; R499-D501 VanDerWaalsContact NE-CG 3.28Å; R499-D501 IonicContact NE-OD1 2.64Å; R499-D501 PolarHBondContact NE-OD1 3.42Å; R499-D501 IonicContact NE-OD2 3.06Å; R499-D501 PolarHBondContact NE-OD2 2.98Å; R499-D501 IonicContact NH2-OD1 3.18Å; R499-D501 IonicContact NH2-OD2 3.04Å; R499-D501 PolarHBondContact NH2-OD2 3.13Å; R499-D501 PolarHBondContact O-N 3.16Å; R499-G502 PolarHBondContact O-N 3.47Å; R499-L503 HydrophobicContact CB-CB 4.24Å; R499-L503 PolarHBondContact N-O 3.43Å; R499-Y505 HydrophobicContact CB-CE2 4.28Å |
| 500 | T | 90.2 | Very high | 91.5 | Very high | 105 Ų | 105 | 40.8 Ų | 40.8 | 64% | 0.644 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -21.7 | -178.5 | 50.2 | 0 | 0 | 0 | 0 | 115.4 | H450 G502 | H450-T500 HydrophobicContact CB-CG2 3.94Å; H450-T500 PolarHBondContact O-N 3.21Å; T500-G502 VanDerWaalsContact C-N 3.31Å |
| 501 | D | 88.7 | Confident | 91.9 | Very high | 52 Ų | 52 | 35.5 Ų | 35.5 | 28% | 0.278 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 2.9 | 175.1 | 60.3 | -4.8 | 0 | 0 | 0 | 113.9 | C415 T418 R499 L503 | C415-D501 PolarHBondContact SG-OD2 3.13Å; T418-D501 PolarHBondContact OG1-OD2 3.2Å; R499-D501 VanDerWaalsContact CB-OD1 3.31Å; R499-D501 WeakPolarHBondContact CB-OD1 3.49Å; R499-D501 WeakPolarHBondContact CG-OD1 3.25Å; R499-D501 IonicContact CZ-OD1 2.68Å; R499-D501 IonicContact CZ-OD2 3.05Å; R499-D501 VanDerWaalsContact NE-CG 3.28Å; R499-D501 IonicContact NE-OD1 2.64Å; R499-D501 PolarHBondContact NE-OD1 3.42Å; R499-D501 IonicContact NE-OD2 3.06Å; R499-D501 PolarHBondContact NE-OD2 2.98Å; R499-D501 IonicContact NH2-OD1 3.18Å; R499-D501 IonicContact NH2-OD2 3.04Å; R499-D501 PolarHBondContact NH2-OD2 3.13Å; R499-D501 PolarHBondContact O-N 3.16Å; D501-L503 PolarHBondContact OD1-N 3.16Å |
| 502 | G | 89 | Confident | 92.2 | Very high | 31 Ų | 31 | 34.4 Ų | 34.4 | 32% | 0.32 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 89.8 | 4.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R499 T500 I504 | R499-G502 PolarHBondContact O-N 3.47Å; T500-G502 VanDerWaalsContact C-N 3.31Å; G502-I504 PolarHBondContact O-N 3Å |
| 503 | L | 91.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -68 | 124.6 | 171.7 | 178.4 | 60.6 | 0 | 0 | 0 | 110.4 | F409 Q411 V420 I498 R499 D501 Y505 | F409-L503 HydrophobicContact CB-CD1 4.16Å; F409-L503 HydrophobicContact CD2-CD1 4.02Å; Q411-L503 HydrophobicContact CB-CD1 3.86Å; Q411-L503 HydrophobicContact CG-CD1 4.19Å; V420-L503 HydrophobicContact CB-CD2 3.88Å; V420-L503 HydrophobicContact CG1-CD1 4.12Å; V420-L503 HydrophobicContact CG1-CD2 3.89Å; I498-L503 CarbonylContact C-O 3.56Å; I498-L503 WeakPolarHBondContact CA-O 3.46Å; R499-L503 HydrophobicContact CB-CB 4.24Å; R499-L503 PolarHBondContact N-O 3.43Å; D501-L503 PolarHBondContact OD1-N 3.16Å; L503-Y505 HydrophobicContact CD2-CE1 3.77Å; L503-Y505 HydrophobicContact CD2-CE2 4.16Å; L503-Y505 VanDerWaalsContact CD2-CZ 3.45Å; L503-Y505 WeakPolarHBondContact CD2-OH 3.26Å; L503-Y505 HydrophobicContact CG-CE1 4.17Å; L503-Y505 HydrophobicContact CG-CE2 4.22Å | ||
| 504 | I | 93.6 | Very high | 91.7 | Very high | 39 Ų | 39 | 33.6 Ų | 33.6 | 20% | 0.2 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 125.6 | 177.8 | -56.2 | 170.8 | 0 | 0 | 0 | 109.2 | F409 N410 L454 L497 I498 G502 | F409-I504 CarbonylContact C-O 3.51Å; F409-I504 WeakPolarHBondContact CA-O 3.27Å; F409-I504 WeakPolarHBondContact CB-O 3.28Å; N410-I504 HydrophobicContact CB-CB 4.21Å; N410-I504 PolarHBondContact N-O 3.5Å; N410-I504 PolarHBondContact O-N 3.37Å; N410-I504 VanDerWaalsContact O-N 3.09Å; L454-I504 HydrophobicContact CD1-CD1 4.45Å; L454-I504 HydrophobicContact CD1-CG1 4.42Å; L454-I504 HydrophobicContact CD1-CG2 4.26Å; L497-I504 CarbonylContact O-C 3.48Å; L497-I504 WeakPolarHBondContact O-CA 3.49Å; I498-I504 HydrophobicContact CB-CG1 4.44Å; I498-I504 HydrophobicContact CD1-CG1 4.08Å; I498-I504 HydrophobicContact CG1-CG1 4.08Å; G502-I504 PolarHBondContact O-N 3Å |
| 505 | Y | 95.1 | Very high | 90.9 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 118.8 | 168.6 | -52.8 | -82.5 | 0 | 0 | 0 | 108.9 | F409 V420 F423 P424 L451 S496 L497 R499 L503 | F409-Y505 HydrophobicContact CB-CD1 4.34Å; V420-Y505 WeakPolarHBondContact O-CE1 3.32Å; V420-Y505 PolarHBondContact O-OH 3.32Å; V420-Y505 VanDerWaalsContact O-OH 3.04Å; F423-Y505 HydrophobicContact CD1-CD1 4.48Å; F423-Y505 AromaticContact CD2-CD1 3.87Å; F423-Y505 HydrophobicContact CD2-CD1 3.87Å; F423-Y505 AromaticContact CD2-CE1 3.96Å; F423-Y505 HydrophobicContact CD2-CE1 3.96Å; F423-Y505 HydrophobicContact CE1-CD1 4.28Å; F423-Y505 AromaticContact CE2-CD1 3.64Å; F423-Y505 HydrophobicContact CE2-CD1 3.64Å; F423-Y505 HydrophobicContact CE2-CE1 4.15Å; F423-Y505 HydrophobicContact CG-CD1 4.29Å; F423-Y505 HydrophobicContact CG-CE1 4.41Å; F423-Y505 AromaticContact CZ-CD1 3.86Å; F423-Y505 HydrophobicContact CZ-CD1 3.86Å; P424-Y505 VanDerWaalsContact CD-CD1 3.5Å; P424-Y505 HydrophobicContact CG-CD1 3.94Å; P424-Y505 HydrophobicContact CG-CD2 3.52Å; P424-Y505 HydrophobicContact CG-CE1 4.31Å; P424-Y505 HydrophobicContact CG-CE2 3.92Å; P424-Y505 HydrophobicContact CG-CG 3.51Å; L451-Y505 HydrophobicContact CD2-CD2 4.19Å; L451-Y505 HydrophobicContact CD2-CE2 3.75Å; S496-Y505 WeakPolarHBondContact CA-O 3.42Å; S496-Y505 WeakPolarHBondContact CB-O 3.23Å; L497-Y505 HydrophobicContact CB-CD2 4.21Å; L497-Y505 PolarHBondContact N-O 3.23Å; L497-Y505 PolarHBondContact O-N 3.41Å; R499-Y505 HydrophobicContact CB-CE2 4.28Å; L503-Y505 HydrophobicContact CD2-CE1 3.77Å; L503-Y505 HydrophobicContact CD2-CE2 4.16Å; L503-Y505 VanDerWaalsContact CD2-CZ 3.45Å; L503-Y505 WeakPolarHBondContact CD2-OH 3.26Å; L503-Y505 HydrophobicContact CG-CE1 4.17Å; L503-Y505 HydrophobicContact CG-CE2 4.22Å |
| 506 | R | 93.9 | Very high | 89.6 | Confident | 81 Ų | 81 | 37.2 Ų | 37.2 | 31% | 0.306 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 142.8 | 176.9 | -60.7 | -57.9 | -171.3 | 80.1 | 5.1 | 109.5 | D106 T408 S496 | D106-R506 VanDerWaalsContact CG-CZ 3.46Å; D106-R506 VanDerWaalsContact CG-NH2 3.26Å; D106-R506 IonicContact OD1-CZ 3.79Å; D106-R506 IonicContact OD1-NE 2.97Å; D106-R506 IonicContact OD1-NH1 2.73Å; D106-R506 IonicContact OD1-NH2 3.78Å; D106-R506 PolarHBondContact OD1-NH2 2.95Å; D106-R506 IonicContact OD2-CZ 3.29Å; D106-R506 IonicContact OD2-NE 3.8Å; D106-R506 IonicContact OD2-NH1 2.98Å; D106-R506 PolarHBondContact OD2-NH1 2.84Å; D106-R506 IonicContact OD2-NH2 2.71Å; D106-R506 PolarHBondContact OD2-NH2 3.21Å; T408-R506 HydrophobicContact CG2-CB 3.84Å; T408-R506 HydrophobicContact CG2-CG 3.81Å; T408-R506 PolarHBondContact O-N 2.98Å; S496-R506 WeakPolarHBondContact OG-CD 3.4Å |
| 507 | T | 92.8 | Very high | 87.8 | Confident | 35 Ų | 35 | 44.9 Ų | 44.9 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 158.6 | 177.9 | 85.3 | 0 | 0 | 0 | 0 | 109.8 | I426 L495 Y509 | I426-T507 HydrophobicContact CD1-CG2 3.72Å; L495-T507 PolarHBondContact O-OG1 2.92Å; T507-Y509 PolarHBondContact O-N 2.85Å; T507-Y509 PolarHBondContact OG1-N 2.98Å |
| 508 | S | 90.1 | Very high | 85.6 | Confident | 72 Ų | 72 | 51.7 Ų | 51.7 | 50% | 0.503 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 1.7 | 172.9 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 509 | Y | 92.4 | Very high | 82.9 | Confident | 36 Ų | 36 | 57.9 Ų | 57.9 | 14% | 0.141 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 146.9 | -177 | -63.3 | -79.8 | 0 | 0 | 0 | 111 | I426 L429 L495 T507 M560 | I426-Y509 HydrophobicContact CB-CD2 4.13Å; I426-Y509 HydrophobicContact CB-CE2 3.64Å; I426-Y509 HydrophobicContact CD1-CD2 4.4Å; I426-Y509 HydrophobicContact CG2-CD2 3.9Å; I426-Y509 HydrophobicContact CG2-CE2 3.45Å; I426-Y509 VanDerWaalsContact CG2-CE2 3.45Å; I426-Y509 PolarHBondContact O-OH 2.88Å; I426-Y509 VanDerWaalsContact O-OH 3.09Å; L429-Y509 HydrophobicContact CD1-CD1 3.69Å; L429-Y509 HydrophobicContact CD1-CD2 4.29Å; L429-Y509 HydrophobicContact CD1-CE1 4.41Å; L429-Y509 HydrophobicContact CD1-CG 3.61Å; L429-Y509 HydrophobicContact CG-CD1 4.39Å; L429-Y509 HydrophobicContact CG-CG 4.47Å; L495-Y509 PolarHBondContact N-O 2.74Å; T507-Y509 PolarHBondContact O-N 2.85Å; T507-Y509 PolarHBondContact OG1-N 2.98Å; Y509-M560 HydrophobicContact CD1-CG 4.32Å; Y509-M560 HydrophobicContact CE1-CG 3.98Å |
| 510 | S | 92.5 | Very high | 80.2 | Confident | 7 Ų | 7 | 62.1 Ų | 62.1 | 5% | 0.049 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 150.9 | 171.8 | 66.4 | 0 | 0 | 0 | 0 | 109.9 | L493 | L493-S510 CarbonylContact O-C 3.51Å; L493-S510 WeakPolarHBondContact O-CA 3.49Å; L493-S510 WeakPolarHBondContact O-CB 3.29Å |
| 511 | F | 91.2 | Very high | 77.8 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.018 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131.3 | 175 | -174.4 | -89.7 | 0 | 0 | 0 | 109.4 | V431 F455 I474 T492 L493 L495 Y513 F556 | V431-F511 HydrophobicContact CG2-CE2 4.01Å; F455-F511 HydrophobicContact CD1-CB 4.05Å; F455-F511 HydrophobicContact CD1-CD1 4.22Å; F455-F511 HydrophobicContact CD1-CG 4.11Å; F455-F511 HydrophobicContact CE1-CB 4.01Å; F455-F511 HydrophobicContact CE1-CD1 4.08Å; F455-F511 HydrophobicContact CE1-CD2 4.04Å; F455-F511 AromaticContact CE1-CG 3.75Å; F455-F511 HydrophobicContact CE1-CG 3.75Å; I474-F511 HydrophobicContact CD1-CE2 3.82Å; I474-F511 HydrophobicContact CD1-CZ 3.85Å; I474-F511 HydrophobicContact CG1-CE2 4.43Å; I474-F511 HydrophobicContact CG1-CZ 4.42Å; I474-F511 HydrophobicContact CG2-CE1 3.91Å; I474-F511 HydrophobicContact CG2-CZ 3.79Å; T492-F511 CarbonylContact C-O 3.53Å; T492-F511 WeakPolarHBondContact CA-O 3.43Å; L493-F511 PolarHBondContact N-O 2.64Å; L493-F511 PolarHBondContact O-N 3.27Å; L495-F511 HydrophobicContact CD1-CB 4.22Å; L495-F511 HydrophobicContact CD2-CB 3.87Å; L495-F511 HydrophobicContact CG-CB 4.11Å; F511-Y513 AromaticContact CD1-CD2 3.99Å; F511-Y513 HydrophobicContact CD1-CD2 3.99Å; F511-Y513 HydrophobicContact CD1-CE1 4.32Å; F511-Y513 AromaticContact CD1-CE2 3.58Å; F511-Y513 HydrophobicContact CD1-CE2 3.58Å; F511-Y513 HydrophobicContact CD1-CG 4.49Å; F511-Y513 AromaticContact CD1-CZ 3.75Å; F511-Y513 AromaticContact CE1-CD1 3.91Å; F511-Y513 HydrophobicContact CE1-CD1 3.91Å; F511-Y513 HydrophobicContact CE1-CD2 4.03Å; F511-Y513 AromaticContact CE1-CE1 3.61Å; F511-Y513 HydrophobicContact CE1-CE1 3.61Å; F511-Y513 AromaticContact CE1-CE2 3.73Å; F511-Y513 HydrophobicContact CE1-CE2 3.73Å; F511-Y513 HydrophobicContact CE1-CG 4.1Å; F511-Y513 AromaticContact CE1-CZ 3.49Å; F511-Y513 VanDerWaalsContact CE1-CZ 3.49Å; F511-F556 HydrophobicContact CZ-CD1 4.2Å; F511-F556 HydrophobicContact CZ-CE1 4.47Å |
| 512 | T | 89.4 | Confident | 75.3 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 6% | 0.061 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 123.6 | -176 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | I490 I491 T492 T514 | I490-T512 HydrophobicContact CG2-CG2 3.3Å; I491-T512 CarbonylContact O-C 3.58Å; I491-T512 VanDerWaalsContact O-CA 3.3Å; I491-T512 WeakPolarHBondContact O-CA 3.3Å; T492-T512 WeakPolarHBondContact CG2-OG1 3.45Å; T492-T512 WeakPolarHBondContact OG1-CG2 3.28Å; T492-T512 PolarHBondContact OG1-OG1 2.81Å; T512-T514 HydrophobicContact CG2-CG2 4.14Å |
| 513 | Y | 86 | Confident | 72.9 | Confident | 21 Ų | 21 | 68.5 Ų | 68.5 | 8% | 0.082 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 117.1 | 168.1 | -61.3 | -91.9 | 0 | 0 | 0 | 109.1 | I474 P475 V477 Y480 I490 I491 L493 F511 | I474-Y513 HydrophobicContact CG2-CE1 4.07Å; P475-Y513 PolarHBondContact O-OH 3.14Å; V477-Y513 HydrophobicContact CB-CD1 3.99Å; V477-Y513 HydrophobicContact CB-CE1 4.23Å; V477-Y513 HydrophobicContact CB-CG 4.42Å; V477-Y513 HydrophobicContact CG2-CD1 4.13Å; V477-Y513 HydrophobicContact CG2-CD2 4.48Å; V477-Y513 HydrophobicContact CG2-CG 4.05Å; Y480-Y513 HydrophobicContact CE2-CE2 4.35Å; I490-Y513 WeakPolarHBondContact CA-O 3.45Å; I491-Y513 HydrophobicContact CB-CD2 4.3Å; I491-Y513 HydrophobicContact CG2-CD2 4.26Å; I491-Y513 PolarHBondContact N-O 3.15Å; I491-Y513 VanDerWaalsContact N-O 3.13Å; I491-Y513 PolarHBondContact O-N 3.09Å; L493-Y513 HydrophobicContact CD1-CE2 3.75Å; L493-Y513 HydrophobicContact CG-CE2 4.31Å; F511-Y513 AromaticContact CD1-CD2 3.99Å; F511-Y513 HydrophobicContact CD1-CD2 3.99Å; F511-Y513 HydrophobicContact CD1-CE1 4.32Å; F511-Y513 AromaticContact CD1-CE2 3.58Å; F511-Y513 HydrophobicContact CD1-CE2 3.58Å; F511-Y513 HydrophobicContact CD1-CG 4.49Å; F511-Y513 AromaticContact CD1-CZ 3.75Å; F511-Y513 AromaticContact CE1-CD1 3.91Å; F511-Y513 HydrophobicContact CE1-CD1 3.91Å; F511-Y513 HydrophobicContact CE1-CD2 4.03Å; F511-Y513 AromaticContact CE1-CE1 3.61Å; F511-Y513 HydrophobicContact CE1-CE1 3.61Å; F511-Y513 AromaticContact CE1-CE2 3.73Å; F511-Y513 HydrophobicContact CE1-CE2 3.73Å; F511-Y513 HydrophobicContact CE1-CG 4.1Å; F511-Y513 AromaticContact CE1-CZ 3.49Å; F511-Y513 VanDerWaalsContact CE1-CZ 3.49Å |
| 514 | T | 82.5 | Confident | 70.3 | Confident | 56 Ų | 56 | 79.8 Ų | 79.8 | 34% | 0.344 | 44% | 0.437 | S | S | . | . | trans | -105.9 | 124.3 | 176 | 46.4 | 0 | 0 | 0 | 0 | 110.2 | T512 | T512-T514 HydrophobicContact CG2-CG2 4.14Š| ||
| 515 | P | 74.7 | Confident | 67.3 | Low | 29 Ų | 29 | 81.4 Ų | 81.4 | 19% | 0.188 | 46% | 0.463 | C | S | . | . | trans | -66 | 144.2 | 171.8 | -11.4 | 23.3 | 0 | 0 | 0 | 111 | W484 R488 L517 | W484-P515 HydrophobicContact CH2-CG 4.22Å; W484-P515 HydrophobicContact CZ2-CG 3.93Å; R488-P515 HydrophobicContact CB-CB 3.81Å; R488-P515 HydrophobicContact CB-CG 4.08Å; R488-P515 HydrophobicContact CG-CB 4.31Å; R488-P515 VanDerWaalsContact O-CG 3.26Å; R488-P515 WeakPolarHBondContact O-CG 3.2Å; P515-L517 PolarHBondContact O-N 3.39Å | ||
| 516 | E | 69.4 | Low | 64.5 | Low | 124 Ų | 124 | 86.5 Ų | 86.5 | 58% | 0.579 | 51% | 0.506 | S | S | * | . | trans | -67.7 | 122.9 | 172.2 | -69.2 | 176.2 | -178.1 | 0 | 0 | 110.7 | R488 | R488-E516 PolarHBondContact NH1-O 3.22Š| ||
| 517 | L | 56.8 | Low | 61.6 | Low | 171 Ų | 171 | 87.5 Ų | 87.5 | 90% | 0.895 | 53% | 0.532 | S | S | * | . | trans | -87.3 | 105.5 | 171.7 | -71.2 | 167.6 | 0 | 0 | 0 | 108.4 | P515 L519 | P515-L517 PolarHBondContact O-N 3.39Å; L517-L519 PolarHBondContact O-N 2.98Å | ||
| 518 | H | 50.1 | Low | 58.6 | Low | 145 Ų | 145 | 90 Ų | 90 | 67% | 0.671 | 56% | 0.564 | S | S | * | * | trans | -69.8 | 114.5 | 166 | -94.8 | -80.4 | 0 | 0 | 0 | 109.1 | ||||
| 519 | L | 37.3 | Very low | 55.7 | Low | 160 Ų | 160 | 90.4 Ų | 90.4 | 84% | 0.838 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 125.6 | 156.9 | -77.1 | 162.5 | 0 | 0 | 0 | 107.3 | L517 A521 | L517-L519 PolarHBondContact O-N 2.98Å; L519-A521 PolarHBondContact O-N 3Å |
| 520 | P | 36.4 | Very low | 52.8 | Low | 122 Ų | 122 | 100 Ų | 100 | 79% | 0.792 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 127.3 | 176.5 | -12.3 | 24.9 | 0 | 0 | 0 | 109.3 | S522 | P520-S522 PolarHBondContact O-N 3.46Š|
| 521 | A | 39.7 | Very low | 49.8 | Very low | 99 Ų | 99 | 107.7 Ų | 107.7 | 82% | 0.818 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 125.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | L519 S523 | L519-A521 PolarHBondContact O-N 3Å; A521-S523 PolarHBondContact O-N 2.88Å |
| 522 | S | 37.3 | Very low | 47 | Very low | 104 Ų | 104 | 112.2 Ų | 112.2 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | trans | -58.3 | 109.3 | 173.7 | 156.5 | 0 | 0 | 0 | 0 | 109.6 | P520 R524 | P520-S522 PolarHBondContact O-N 3.46Å; S522-R524 PolarHBondContact O-N 3.36Å | ||
| 523 | S | 38.8 | Very low | 44.2 | Very low | 120 Ų | 120 | 119.5 Ų | 119.5 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | trans | -61.9 | 95.5 | 169.6 | 57 | 0 | 0 | 0 | 0 | 110.3 | A521 G525 | A521-S523 PolarHBondContact O-N 2.88Å; S523-G525 PolarHBondContact O-N 3.01Å | ||
| 524 | R | 35.9 | Very low | 41.5 | Very low | 237 Ų | 237 | 122 Ų | 122 | 89% | 0.894 | 76% | 0.761 | S | S | * | * | trans | -89 | 100.6 | 165.6 | -97.4 | -173 | 169.1 | -178.4 | -2.4 | 109.7 | S522 | S522-R524 PolarHBondContact O-N 3.36Š| ||
| 525 | G | 31.3 | Very low | 39.1 | Very low | 72 Ų | 72 | 123.4 Ų | 123.4 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | 60.6 | 101.1 | 134.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | S523 | S523-G525 PolarHBondContact O-N 3.01Š| ||
| 526 | A | 36.2 | Very low | 37.5 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | trans | -63.2 | 129 | 155.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 527 | A | 32.6 | Very low | 36.1 | Very low | 103 Ų | 103 | 134 Ų | 134 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | trans | -153.4 | 95.1 | 158.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 528 | G | 30.7 | Very low | 35.4 | Very low | 87 Ų | 87 | 132 Ų | 132 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | trans | 42.3 | 127.9 | 142.4 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 529 | G | 29.5 | Very low | 34.7 | Very low | 81 Ų | 81 | 127.5 Ų | 127.5 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | 150.2 | 114.1 | 145.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 530 | R | 31.6 | Very low | 34.9 | Very low | 236 Ų | 236 | 127.5 Ų | 127.5 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | -62.4 | 160 | 172.9 | -62.8 | 170.9 | 173.4 | 170.4 | -3.9 | 110.9 | ||||
| 531 | E | 29.1 | Very low | 35.2 | Very low | 169 Ų | 169 | 127.1 Ų | 127.1 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | cis | -179.5 | 148.3 | 46.9 | -144.6 | 161.7 | -128.4 | 0 | 0 | 110.3 | ||||
| 532 | A | 31.6 | Very low | 35.3 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | 57 | 145.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 533 | D | 30.6 | Very low | 35.7 | Very low | 163 Ų | 163 | 127.9 Ų | 127.9 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | cis | -172.4 | 152.2 | -3.7 | 176.7 | 29 | 0 | 0 | 0 | 106 | ||||
| 534 | G | 29.9 | Very low | 36 | Very low | 74 Ų | 74 | 127 Ų | 127 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | trans | 93.2 | 123.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 535 | G | 30.7 | Very low | 36.1 | Very low | 85 Ų | 85 | 122.1 Ų | 122.1 | 88% | 0.876 | 76% | 0.756 | S | S | * | * | trans | 116.6 | 78.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 536 | Q | 42.3 | Very low | 36.5 | Very low | 191 Ų | 191 | 122.1 Ų | 122.1 | 89% | 0.893 | 74% | 0.742 | S | S | * | * | trans | -83.9 | 110.9 | 166.8 | 176.6 | 165.1 | -11.1 | 0 | 0 | 108.3 | ||||
| 537 | E | 39.3 | Very low | 36.8 | Very low | 183 Ų | 183 | 120.4 Ų | 120.4 | 86% | 0.855 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -180 | 3.4 | 151.1 | -102.5 | 171.4 | -163 | 0 | 0 | 117.7 | ||
| 538 | D | 42 | Very low | 36.9 | Very low | 131 Ų | 131 | 122.4 Ų | 122.4 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -108.2 | 10 | -178.6 | -78 | -25.2 | 0 | 0 | 0 | 115.6 | I542 | D538-I542 WeakPolarHBondContact O-CD1 3.38Š|
| 539 | G | 36.6 | Very low | 37.1 | Very low | 50 Ų | 50 | 125.3 Ų | 125.3 | 52% | 0.515 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -84.5 | -25.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L543 | G539-L543 PolarHBondContact O-N 2.76Å |
| 540 | E | 40.3 | Very low | 37.3 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -85.5 | -34.3 | -175.4 | -68.6 | -170 | 164.6 | 0 | 0 | 112.3 | L543 L544 | E540-L543 PolarHBondContact O-N 3.43Å; E540-L544 WeakPolarHBondContact O-CB 3.34Å; E540-L544 WeakPolarHBondContact O-CD1 3.48Å; E540-L544 PolarHBondContact O-N 3.21Å |
| 541 | D | 42.7 | Very low | 37.5 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 62% | 0.615 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -72.1 | -34.6 | 179.3 | -77.5 | -17 | 0 | 0 | 0 | 112.5 | L544 E545 | D541-L544 PolarHBondContact O-N 2.76Å; D541-E545 WeakPolarHBondContact O-CB 3.47Å; D541-E545 PolarHBondContact O-N 3.3Å |
| 542 | I | 43.6 | Very low | 37.9 | Very low | 106 Ų | 106 | 121 Ų | 121 | 54% | 0.544 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -71.9 | -35.3 | 174.2 | -58.4 | 172.2 | 0 | 0 | 0 | 110.5 | D538 T546 | D538-I542 WeakPolarHBondContact O-CD1 3.38Å; I542-T546 VanDerWaalsContact O-CB 3.23Å; I542-T546 WeakPolarHBondContact O-CB 3.15Å; I542-T546 PolarHBondContact O-N 2.79Å; I542-T546 PolarHBondContact O-OG1 3.41Å |
| 543 | L | 44.6 | Very low | 38 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 59% | 0.592 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68.6 | -40.4 | 173.4 | -126.3 | 103 | 0 | 0 | 0 | 111.1 | G539 E540 T546 I547 | G539-L543 PolarHBondContact O-N 2.76Å; E540-L543 PolarHBondContact O-N 3.43Å; L543-T546 PolarHBondContact O-N 3.16Å; L543-I547 HydrophobicContact CD2-CD1 4.12Å; L543-I547 VanDerWaalsContact O-CB 3.27Å; L543-I547 WeakPolarHBondContact O-CB 3.45Å; L543-I547 WeakPolarHBondContact O-CD1 3.4Å; L543-I547 WeakPolarHBondContact O-CG1 3.33Å; L543-I547 PolarHBondContact O-N 3.03Å |
| 544 | L | 45.8 | Very low | 38.2 | Very low | 102 Ų | 102 | 120.9 Ų | 120.9 | 53% | 0.534 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -68.5 | -38.8 | 176.4 | -98.3 | 85.7 | 0 | 0 | 0 | 112.3 | E540 D541 H548 | E540-L544 WeakPolarHBondContact O-CB 3.34Å; E540-L544 WeakPolarHBondContact O-CD1 3.48Å; E540-L544 PolarHBondContact O-N 3.21Å; D541-L544 PolarHBondContact O-N 2.76Å; L544-H548 VanDerWaalsContact O-CB 3.31Å; L544-H548 WeakPolarHBondContact O-CB 3.35Å; L544-H548 PolarHBondContact O-N 3.39Å |
| 545 | E | 38.5 | Very low | 38.4 | Very low | 133 Ų | 133 | 123 Ų | 123 | 62% | 0.621 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.7 | -38.2 | 173.3 | -102.1 | -170.6 | 149.8 | 0 | 0 | 112 | D541 H548 Q549 | D541-E545 WeakPolarHBondContact O-CB 3.47Å; D541-E545 PolarHBondContact O-N 3.3Å; E545-H548 PolarHBondContact O-N 2.85Å; E545-Q549 WeakPolarHBondContact O-CB 3.19Å; E545-Q549 PolarHBondContact O-N 2.8Å |
| 546 | T | 39.1 | Very low | 38.9 | Very low | 73 Ų | 73 | 121.7 Ų | 121.7 | 45% | 0.448 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71.5 | -37.2 | 177.4 | -51.9 | 0 | 0 | 0 | 0 | 111 | I542 L543 Q549 E550 | I542-T546 VanDerWaalsContact O-CB 3.23Å; I542-T546 WeakPolarHBondContact O-CB 3.15Å; I542-T546 PolarHBondContact O-N 2.79Å; I542-T546 PolarHBondContact O-OG1 3.41Å; L543-T546 PolarHBondContact O-N 3.16Å; T546-Q549 PolarHBondContact O-N 3.28Å; T546-E550 VanDerWaalsContact O-CB 3.31Å; T546-E550 WeakPolarHBondContact O-CB 3.47Å; T546-E550 WeakPolarHBondContact O-CG 3.28Å; T546-E550 PolarHBondContact O-N 2.81Å |
| 547 | I | 41.1 | Very low | 38.8 | Very low | 74 Ų | 74 | 117.7 Ų | 117.7 | 38% | 0.379 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.4 | -42.1 | 170.5 | -69.6 | 164.8 | 0 | 0 | 0 | 110.1 | L543 Q549 E550 F551 | L543-I547 HydrophobicContact CD2-CD1 4.12Å; L543-I547 VanDerWaalsContact O-CB 3.27Å; L543-I547 WeakPolarHBondContact O-CB 3.45Å; L543-I547 WeakPolarHBondContact O-CD1 3.4Å; L543-I547 WeakPolarHBondContact O-CG1 3.33Å; L543-I547 PolarHBondContact O-N 3.03Å; I547-Q549 VanDerWaalsContact C-N 3.35Å; I547-Q549 PolarHBondContact O-N 3.49Å; I547-E550 PolarHBondContact O-N 3.31Å; I547-F551 HydrophobicContact CG2-CD2 3.82Å; I547-F551 HydrophobicContact CG2-CE2 3.92Å; I547-F551 VanDerWaalsContact O-CD2 3.3Å; I547-F551 WeakPolarHBondContact O-CD2 3.44Å; I547-F551 PolarHBondContact O-N 3.4Å; I547-F551 VanDerWaalsContact O-N 3.11Å |
| 548 | H | 36.3 | Very low | 38.6 | Very low | 146 Ų | 146 | 112 Ų | 112 | 68% | 0.676 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.3 | -37.2 | 177.5 | -107.1 | 61.2 | 0 | 0 | 0 | 112.9 | L544 E545 T552 | L544-H548 VanDerWaalsContact O-CB 3.31Å; L544-H548 WeakPolarHBondContact O-CB 3.35Å; L544-H548 PolarHBondContact O-N 3.39Å; E545-H548 PolarHBondContact O-N 2.85Å; H548-T552 PolarHBondContact O-OG1 2.63Å |
| 549 | Q | 35.1 | Very low | 38.3 | Very low | 147 Ų | 147 | 111.9 Ų | 111.9 | 69% | 0.687 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -77.6 | -30.5 | 175.7 | -76.9 | -172.7 | 6.9 | 0 | 0 | 113.5 | E545 T546 I547 T552 | E545-Q549 WeakPolarHBondContact O-CB 3.19Å; E545-Q549 PolarHBondContact O-N 2.8Å; T546-Q549 PolarHBondContact O-N 3.28Å; I547-Q549 VanDerWaalsContact C-N 3.35Å; I547-Q549 PolarHBondContact O-N 3.49Å; Q549-T552 PolarHBondContact O-OG1 3.33Å |
| 550 | E | 32.8 | Very low | 37.9 | Very low | 145 Ų | 145 | 116.1 Ų | 116.1 | 68% | 0.678 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -72.4 | -26.6 | 175.2 | -82.7 | -160 | 150.2 | 0 | 0 | 113.1 | T546 I547 T552 | T546-E550 VanDerWaalsContact O-CB 3.31Å; T546-E550 WeakPolarHBondContact O-CB 3.47Å; T546-E550 WeakPolarHBondContact O-CG 3.28Å; T546-E550 PolarHBondContact O-N 2.81Å; I547-E550 PolarHBondContact O-N 3.31Å; E550-T552 VanDerWaalsContact C-N 3.32Å; E550-T552 PolarHBondContact O-N 3.14Å |
| 551 | F | 35.3 | Very low | 37.3 | Very low | 149 Ų | 149 | 115.7 Ų | 115.7 | 65% | 0.654 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -4.5 | 177.5 | -93.6 | -90.5 | 0 | 0 | 0 | 114.8 | I547 | I547-F551 HydrophobicContact CG2-CD2 3.82Å; I547-F551 HydrophobicContact CG2-CE2 3.92Å; I547-F551 VanDerWaalsContact O-CD2 3.3Å; I547-F551 WeakPolarHBondContact O-CD2 3.44Å; I547-F551 PolarHBondContact O-N 3.4Å; I547-F551 VanDerWaalsContact O-N 3.11Å |
| 552 | T | 37.6 | Very low | 36.6 | Very low | 101 Ų | 101 | 119.1 Ų | 119.1 | 62% | 0.62 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 10 | -170.1 | -13.6 | 0 | 0 | 0 | 0 | 116 | H548 Q549 E550 | H548-T552 PolarHBondContact O-OG1 2.63Å; Q549-T552 PolarHBondContact O-OG1 3.33Å; E550-T552 VanDerWaalsContact C-N 3.32Å; E550-T552 PolarHBondContact O-N 3.14Å |
| 553 | R | 34 | Very low | 36.2 | Very low | 210 Ų | 210 | 119.8 Ų | 119.8 | 79% | 0.792 | 60% | 0.598 | S | S | * | * | trans | -129.1 | 78.6 | -178 | -79.8 | -170.8 | 158 | 103.5 | -1.6 | 113.7 | ||||
| 554 | T | 34.2 | Very low | 35.8 | Very low | 51 Ų | 51 | 120.1 Ų | 120.1 | 31% | 0.313 | 60% | 0.599 | S | S | . | * | trans | -86 | 109.6 | 161.7 | 35.5 | 0 | 0 | 0 | 0 | 109.4 | F556 | T554-F556 VanDerWaalsContact CB-CZ 3.47Å; T554-F556 HydrophobicContact CG2-CE2 4.3Å; T554-F556 HydrophobicContact CG2-CZ 3.96Å; T554-F556 PolarHBondContact O-N 3.41Å; T554-F556 WeakPolarHBondContact OG1-CE2 3.34Å | ||
| 555 | N | 33.8 | Very low | 35.3 | Very low | 118 Ų | 118 | 121.1 Ų | 121.1 | 63% | 0.631 | 60% | 0.602 | S | S | * | * | trans | -83.1 | 99.8 | 169.1 | -75.6 | -39.1 | 0 | 0 | 0 | 108.4 | ||||
| 556 | F | 42.3 | Very low | 35.1 | Very low | 59 Ų | 59 | 120.4 Ų | 120.4 | 26% | 0.259 | 60% | 0.601 | S | S | . | * | trans | -89.4 | 128.9 | 171.9 | -59.1 | -77.8 | 0 | 0 | 0 | 109.8 | V431 A438 F511 T554 | V431-F556 HydrophobicContact CB-CB 4.16Å; V431-F556 HydrophobicContact CB-CD2 4.02Å; V431-F556 HydrophobicContact CB-CG 4.19Å; V431-F556 HydrophobicContact CG1-CB 4.23Å; V431-F556 HydrophobicContact CG1-CD1 4.29Å; V431-F556 HydrophobicContact CG1-CD2 3.34Å; V431-F556 HydrophobicContact CG1-CE2 3.6Å; V431-F556 HydrophobicContact CG1-CG 3.71Å; V431-F556 HydrophobicContact CG1-CZ 4.2Å; V431-F556 HydrophobicContact CG2-CB 4.07Å; V431-F556 HydrophobicContact CG2-CG 4.37Å; A438-F556 HydrophobicContact CB-CZ 4.26Å; F511-F556 HydrophobicContact CZ-CD1 4.2Å; F511-F556 HydrophobicContact CZ-CE1 4.47Å; T554-F556 VanDerWaalsContact CB-CZ 3.47Å; T554-F556 HydrophobicContact CG2-CE2 4.3Å; T554-F556 HydrophobicContact CG2-CZ 3.96Å; T554-F556 PolarHBondContact O-N 3.41Å; T554-F556 WeakPolarHBondContact OG1-CE2 3.34Å | ||
| 557 | H | 40.2 | Very low | 34.8 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 49% | 0.491 | 61% | 0.611 | S | S | . | * | trans | -111.3 | 116.6 | 174.8 | -67.2 | -64.4 | 0 | 0 | 0 | 110.6 | F559 | H557-F559 HydrophobicContact CB-CD2 4.4Å; H557-F559 HydrophobicContact CB-CE2 3.66Å; H557-F559 HydrophobicContact CB-CZ 3.98Å | ||
| 558 | L | 35.7 | Very low | 34.4 | Very low | 63 Ų | 63 | 126.7 Ų | 126.7 | 33% | 0.33 | 63% | 0.626 | S | S | . | * | trans | -86.5 | 124.8 | 170.4 | -87 | 144.9 | 0 | 0 | 0 | 109.1 | L429 V431 | L429-L558 HydrophobicContact CB-CD1 3.97Å; L429-L558 HydrophobicContact CB-CD2 3.65Å; L429-L558 HydrophobicContact CB-CG 4.48Å; L429-L558 HydrophobicContact CD1-CD2 3.6Å; L429-L558 HydrophobicContact CG-CD2 4.28Å; L429-L558 WeakPolarHBondContact O-CD1 3.43Å; V431-L558 HydrophobicContact CG2-CD1 4.23Å | ||
| 559 | F | 34.6 | Very low | 34.3 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 57% | 0.566 | 62% | 0.622 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -116.1 | 131 | 172.5 | -65.1 | -78.3 | 0 | 0 | 0 | 110 | H557 | H557-F559 HydrophobicContact CB-CD2 4.4Å; H557-F559 HydrophobicContact CB-CE2 3.66Å; H557-F559 HydrophobicContact CB-CZ 3.98Å |
| 560 | M | 28.6 | Very low | 34.2 | Very low | 140 Ų | 140 | 123.6 Ų | 123.6 | 69% | 0.69 | 62% | 0.617 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.4 | 127.5 | 161.6 | -76.8 | 175.1 | 39.5 | 0 | 0 | 108.2 | Y509 S562 | Y509-M560 HydrophobicContact CD1-CG 4.32Å; Y509-M560 HydrophobicContact CE1-CG 3.98Å; M560-S562 PolarHBondContact O-N 3.36Å |
| 561 | Q | 28.1 | Very low | 34.3 | Very low | 149 Ų | 149 | 121.8 Ų | 121.8 | 70% | 0.696 | 61% | 0.612 | S | S | * | * | trans | -72.6 | 119.1 | 165.8 | -83.3 | -177.2 | -25.5 | 0 | 0 | 108.5 | ||||
| 562 | S | 27.4 | Very low | 34.2 | Very low | 187 Ų | 187 | 119.4 Ų | 119.4 | 100% | 1.308 | 61% | 0.609 | S | S | * | * | trans | -77.5 | 0 | 177.3 | 59 | 0 | 0 | 0 | 0 | 112.9 | M560 | M560-S562 PolarHBondContact O-N 3.36Š|
Retrieved 562 of 562 residues in 240.2 ms
(Link to these results)