| 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 | P | 48.8 | Very low | 44.8 | Very low | 186 Ų | 186 | 142.8 Ų | 142.8 | 100% | 1.208 | 87% | 0.865 | S | S | * | * | 0 | 105.3 | 0 | 18.6 | -33.4 | 0 | 0 | 0 | 107.7 | |||||
| 2 | M | 36.9 | Very low | 44.2 | Very low | 196 Ų | 196 | 141.5 Ų | 141.5 | 97% | 0.966 | 86% | 0.857 | S | S | * | * | trans | -79.8 | 138.5 | -175.1 | -74.9 | -159.8 | 170.4 | 0 | 0 | 110.9 | ||||
| 3 | A | 51.2 | Low | 43.7 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 83% | 0.826 | 86% | 0.858 | S | S | * | * | trans | -119.3 | 101.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 4 | E | 51.3 | Low | 43 | Very low | 189 Ų | 189 | 140.6 Ų | 140.6 | 88% | 0.883 | 86% | 0.859 | S | S | * | * | trans | 25.6 | 139.3 | 141 | -52.6 | -168.8 | 126.6 | 0 | 0 | 122.6 | ||||
| 5 | T | 45.4 | Very low | 42.3 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 83% | 0.834 | 85% | 0.854 | S | S | * | * | trans | -71.2 | 136.4 | -178.7 | 51.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 6 | V | 47.3 | Very low | 42.3 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 87% | 0.873 | 86% | 0.861 | S | S | * | * | trans | -94 | 115 | 164 | 173.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 7 | S | 50.9 | Low | 42 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 73% | 0.727 | 86% | 0.861 | S | S | * | * | trans | -90.5 | 119 | 176.1 | -170.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 8 | T | 39.9 | Very low | 42 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 79% | 0.791 | 86% | 0.857 | S | S | * | * | trans | -67 | 129 | 168.7 | -61.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 9 | Q | 42.4 | Very low | 42 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 87% | 0.869 | 85% | 0.85 | S | S | * | * | trans | -129.1 | 127.2 | 160.5 | -68.9 | -163 | -55.3 | 0 | 0 | 110.1 | ||||
| 10 | V | 43.1 | Very low | 42.2 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 77% | 0.77 | 85% | 0.845 | S | S | * | * | trans | -83.5 | 128.9 | 177.1 | 88.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 11 | G | 35.3 | Very low | 42.5 | Very low | 74 Ų | 74 | 143.2 Ų | 143.2 | 76% | 0.763 | 85% | 0.847 | S | S | * | * | trans | -83.4 | 114.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 12 | T | 37.6 | Very low | 42.1 | Very low | 127 Ų | 127 | 141 Ų | 141 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | trans | -101.1 | 109 | 170.4 | -27.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 13 | E | 38.1 | Very low | 41.9 | Very low | 185 Ų | 185 | 139 Ų | 139 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -70.6 | 141.8 | 163.6 | 59.1 | -159.9 | 112.6 | 0 | 0 | 110.8 | ||||
| 14 | G | 34.1 | Very low | 41.1 | Very low | 85 Ų | 85 | 137.8 Ų | 137.8 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | trans | 147.5 | 112.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 15 | G | 32.9 | Very low | 40.4 | Very low | 76 Ų | 76 | 136.5 Ų | 136.5 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | 114.6 | 62.2 | 142.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | R17 | G15-R17 PolarHBondContact O-N 3.5Å; G15-R17 VanDerWaalsContact O-N 3.14Å | ||
| 16 | L | 42.1 | Very low | 40 | Very low | 184 Ų | 184 | 134.7 Ų | 134.7 | 96% | 0.963 | 81% | 0.81 | S | S | * | * | trans | -74.7 | 99.5 | 156.1 | -72.9 | 169.1 | 0 | 0 | 0 | 108.9 | A18 | L16-A18 PolarHBondContact O-N 3.39Š| ||
| 17 | R | 36.5 | Very low | 39.3 | Very low | 229 Ų | 229 | 131.3 Ų | 131.3 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -67.8 | 102 | 176.6 | -159.4 | 177.3 | -168.1 | -96.1 | 3.7 | 108.8 | G15 S19 | G15-R17 PolarHBondContact O-N 3.5Å; G15-R17 VanDerWaalsContact O-N 3.14Å; R17-S19 PolarHBondContact O-N 3.22Å | ||
| 18 | A | 42.1 | Very low | 38.4 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | -64.5 | 113.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109 | L16 H20 | L16-A18 PolarHBondContact O-N 3.39Å; A18-H20 PolarHBondContact O-N 2.76Å | ||
| 19 | S | 42.1 | Very low | 38 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | trans | -62.7 | 103.8 | 175.6 | -60.9 | 0 | 0 | 0 | 0 | 109.8 | R17 Q21 | R17-S19 PolarHBondContact O-N 3.22Å; S19-Q21 PolarHBondContact O-N 3.02Å | ||
| 20 | H | 45.7 | Very low | 37.6 | Very low | 162 Ų | 162 | 127.9 Ų | 127.9 | 75% | 0.75 | 81% | 0.809 | S | S | * | * | trans | -60.9 | 97.8 | 165.4 | -173.4 | 78.2 | 0 | 0 | 0 | 108.1 | A18 Q22 | A18-H20 PolarHBondContact O-N 2.76Å; H20-Q22 PolarHBondContact O-N 3.43Å | ||
| 21 | Q | 49.4 | Very low | 37.1 | Very low | 189 Ų | 189 | 130.9 Ų | 130.9 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -72.2 | 111.2 | 168.4 | -80.2 | -172.1 | 19.8 | 0 | 0 | 108.2 | S19 | S19-Q21 PolarHBondContact O-N 3.02Š| ||
| 22 | Q | 40.6 | Very low | 37.1 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 66% | 0.659 | 82% | 0.817 | S | S | * | * | trans | -88.2 | 144.3 | 175.5 | -133.2 | -179.8 | 5.6 | 0 | 0 | 109.3 | H20 | H20-Q22 PolarHBondContact O-N 3.43Š| ||
| 23 | N | 32.8 | Very low | 36.7 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | trans | 104.9 | 135.9 | 148.7 | -54.6 | -28.3 | 0 | 0 | 0 | 119.4 | ||||
| 24 | G | 34.3 | Very low | 36.4 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | 168 | 45.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 25 | D | 35.2 | Very low | 36.7 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | -72.9 | 119.8 | 164.3 | -176.6 | -101.7 | 0 | 0 | 0 | 108 | ||||
| 26 | A | 38.7 | Very low | 36.9 | Very low | 98 Ų | 98 | 138.3 Ų | 138.3 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -136.2 | 85 | 169.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 27 | G | 31.8 | Very low | 36.4 | Very low | 73 Ų | 73 | 132.8 Ų | 132.8 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -62.5 | 137.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 28 | G | 31.8 | Very low | 36.9 | Very low | 74 Ų | 74 | 127.9 Ų | 127.9 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | -143.8 | 95.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | A30 | G28-A30 PolarHBondContact O-N 3.29Š| ||
| 29 | D | 31.8 | Very low | 36.6 | Very low | 176 Ų | 176 | 129.7 Ų | 129.7 | 94% | 0.941 | 80% | 0.801 | S | S | * | * | trans | -60 | 122.9 | 166.3 | -108.9 | -88.1 | 0 | 0 | 0 | 110.1 | ||||
| 30 | A | 34.1 | Very low | 36.3 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | trans | -148.3 | 101.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | G28 | G28-A30 PolarHBondContact O-N 3.29Š| ||
| 31 | K | 32.8 | Very low | 35.9 | Very low | 190 Ų | 190 | 132.6 Ų | 132.6 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -78 | 115.5 | 169.8 | -175.8 | -168.6 | -179.3 | -156.9 | 0 | 109.1 | ||||
| 32 | V | 34.2 | Very low | 35.1 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 87% | 0.873 | 81% | 0.811 | S | S | * | * | trans | -139.6 | 137.4 | 160.4 | 173.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 33 | E | 29.8 | Very low | 34.5 | Very low | 156 Ų | 156 | 126 Ų | 126 | 73% | 0.729 | 82% | 0.821 | S | S | * | * | trans | -97.2 | 142.7 | -161.6 | -169.7 | -178.6 | 106.4 | 0 | 0 | 112.7 | ||||
| 34 | L | 32.6 | Very low | 34.4 | Very low | 158 Ų | 158 | 130.2 Ų | 130.2 | 83% | 0.827 | 83% | 0.826 | S | S | * | * | trans | 54.2 | 132.4 | 157.7 | -95 | 77.8 | 0 | 0 | 0 | 124.7 | ||||
| 35 | S | 39.9 | Very low | 34.1 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | trans | -83.1 | 173.6 | 171.7 | -47 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 36 | P | 37 | Very low | 34 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | -140 | 143.7 | 89 | 34.1 | -17.6 | 0 | 0 | 0 | 111.9 | |||||
| 37 | G | 32.2 | Very low | 33.5 | Very low | 69 Ų | 69 | 136.4 Ų | 136.4 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | 121.2 | 121.6 | 54.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 38 | P | 45.8 | Very low | 33.8 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 148.3 | -171.5 | 34.7 | -32.5 | 0 | 0 | 0 | 113.8 | ||
| 39 | P | 35.6 | Very low | 33.8 | Very low | 133 Ų | 133 | 139 Ų | 139 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 142.4 | 170.5 | 32 | -31.1 | 0 | 0 | 0 | 112.7 | ||
| 40 | K | 36.8 | Very low | 34 | Very low | 205 Ų | 205 | 136.3 Ų | 136.3 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -92 | 162.5 | 174.8 | -119 | -171.9 | 171.4 | 175.6 | 0 | 111.5 | ||
| 41 | P | 36.5 | Very low | 33.7 | Very low | 122 Ų | 122 | 139 Ų | 139 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 144.9 | -167.2 | 36 | -31.7 | 0 | 0 | 0 | 114.2 | ||
| 42 | A | 31.7 | Very low | 33.5 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | trans | -105.6 | 140.3 | 157.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 43 | G | 30 | Very low | 33.2 | Very low | 84 Ų | 84 | 130.1 Ų | 130.1 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | cis | 134 | 119.2 | 42.8 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 44 | R | 30.1 | Very low | 33.2 | Very low | 241 Ų | 241 | 132.1 Ų | 132.1 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -112 | 126.1 | -171.9 | -179 | 165.9 | 178.5 | 163.9 | -2.5 | 108.5 | ||||
| 45 | E | 27.8 | Very low | 33.2 | Very low | 198 Ų | 198 | 133.4 Ų | 133.4 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | trans | -135.6 | 156.6 | 169.7 | -73.5 | -173.2 | 129.4 | 0 | 0 | 110.8 | ||||
| 46 | V | 32.1 | Very low | 33 | Very low | 114 Ų | 114 | 134 Ų | 134 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | trans | -127 | 165.9 | -151.8 | -169.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 47 | E | 28.4 | Very low | 32.7 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 72% | 0.724 | 82% | 0.816 | S | S | * | * | trans | 100.8 | 153.4 | 154.2 | -68.2 | -63.6 | 117.9 | 0 | 0 | 118.2 | ||||
| 48 | P | 39.1 | Very low | 32.7 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | cis | -135.1 | 177.2 | 8.8 | 26.6 | -1.3 | 0 | 0 | 0 | 118.3 | ||||
| 49 | A | 32.4 | Very low | 31.9 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 68% | 0.678 | 82% | 0.824 | S | S | * | * | trans | -65.4 | 177.6 | 179 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 50 | P | 34.1 | Very low | 32.1 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | -147.4 | 140.1 | 99.4 | 38.9 | -21.8 | 0 | 0 | 0 | 114.7 | |||||
| 51 | V | 28.9 | Very low | 32.1 | Very low | 151 Ų | 151 | 128.3 Ų | 128.3 | 92% | 0.915 | 82% | 0.818 | S | S | * | * | 86.3 | 132.9 | 88.6 | 98.4 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 52 | G | 27.5 | Very low | 31.9 | Very low | 73 Ų | 73 | 125.8 Ų | 125.8 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | 121.1 | 91.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 53 | G | 28.8 | Very low | 32.3 | Very low | 75 Ų | 75 | 127.2 Ų | 127.2 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | 98.7 | 140.7 | 101 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 54 | E | 29.9 | Very low | 32.6 | Very low | 199 Ų | 199 | 126 Ų | 126 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | cis | -165.7 | 152.5 | 23.6 | -38.7 | 179.2 | 121.9 | 0 | 0 | 107.8 | ||||
| 55 | H | 32.8 | Very low | 33 | Very low | 184 Ų | 184 | 124.7 Ų | 124.7 | 85% | 0.852 | 80% | 0.804 | S | S | * | * | trans | -93.2 | 157.1 | 172.5 | -105.6 | -95.7 | 0 | 0 | 0 | 110.6 | ||||
| 56 | P | 34.9 | Very low | 33.8 | Very low | 122 Ų | 122 | 124.3 Ų | 124.3 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | -146.5 | 175.8 | 105.6 | 36.7 | -20.6 | 0 | 0 | 0 | 111 | |||||
| 57 | S | 30.3 | Very low | 34.2 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | cis | -164.7 | 151.8 | -26.9 | 176.3 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 58 | A | 32.2 | Very low | 35.4 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -75.8 | 157.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 59 | A | 31 | Very low | 35.9 | Very low | 107 Ų | 107 | 134 Ų | 134 | 88% | 0.884 | 81% | 0.814 | S | S | * | * | trans | -141 | 140.4 | 149.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 60 | A | 37.7 | Very low | 36.6 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | trans | -98.9 | -156.3 | -155 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 61 | P | 38.3 | Very low | 37.6 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | -113.2 | 157.7 | -116.1 | 30.3 | -9.4 | 0 | 0 | 0 | 115.3 | |||||
| 62 | G | 31.8 | Very low | 38.9 | Very low | 69 Ų | 69 | 136 Ų | 136 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | trans | -111.2 | 149.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 63 | P | 40.9 | Very low | 40.4 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | trans | -78.1 | 144.2 | -160.3 | 32 | -34.7 | 0 | 0 | 0 | 113.5 | ||||
| 64 | G | 35.6 | Very low | 42.2 | Very low | 59 Ų | 59 | 147.3 Ų | 147.3 | 61% | 0.608 | 83% | 0.83 | S | S | * | * | trans | -68.9 | 153.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 65 | K | 38.6 | Very low | 44.1 | Very low | 212 Ų | 212 | 145.8 Ų | 145.8 | 92% | 0.922 | 82% | 0.822 | S | S | * | * | trans | -134.2 | 76 | 144.9 | -68.8 | -172.4 | -178.1 | 178.7 | 0 | 108.6 | K67 | K65-K67 VanDerWaalsContact C-N 3.35Å; K65-K67 PolarHBondContact O-N 3.41Å | ||
| 66 | H | 44.1 | Very low | 46.1 | Very low | 190 Ų | 190 | 147.7 Ų | 147.7 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | trans | -76.8 | 88.2 | 168 | -72.2 | -70.7 | 0 | 0 | 0 | 109.6 | K68 | H66-K68 PolarHBondContact O-N 3.46Š| ||
| 67 | K | 41.8 | Very low | 48.1 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 79% | 0.787 | 82% | 0.819 | S | S | * | * | trans | -84.4 | 91.7 | 158.1 | -164.8 | 160.8 | -176.8 | 165.6 | 0 | 108 | K65 R69 | K65-K67 VanDerWaalsContact C-N 3.35Å; K65-K67 PolarHBondContact O-N 3.41Å; K67-R69 HydrophobicContact CG-CG 4.09Å; K67-R69 PolarHBondContact O-N 3.26Å | ||
| 68 | K | 52.8 | Low | 50.4 | Low | 194 Ų | 194 | 147.1 Ų | 147.1 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -60 | 95.4 | 167.1 | -168.6 | 173.5 | -172.4 | 173.3 | 0 | 108.1 | H66 | H66-K68 PolarHBondContact O-N 3.46Š| ||
| 69 | R | 49.2 | Very low | 52.7 | Low | 217 Ų | 217 | 147 Ų | 147 | 82% | 0.819 | 80% | 0.802 | S | S | * | * | trans | -97.4 | 108.2 | 162.9 | -65.8 | -167.6 | 80.1 | -175.8 | 2.2 | 108.1 | K67 | K67-R69 HydrophobicContact CG-CG 4.09Å; K67-R69 PolarHBondContact O-N 3.26Å | ||
| 70 | R | 48 | Very low | 54.9 | Low | 225 Ų | 225 | 147.1 Ų | 147.1 | 85% | 0.849 | 79% | 0.793 | S | S | * | * | trans | -50.7 | 158.2 | 170 | -68.1 | 166.7 | 138.4 | -114.4 | -1.4 | 111 | ||||
| 71 | G | 53.9 | Low | 56.8 | Low | 85 Ų | 85 | 148.6 Ų | 148.6 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | trans | -32.4 | 132.1 | -174 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 72 | A | 55.9 | Low | 58.6 | Low | 85 Ų | 85 | 151.6 Ų | 151.6 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | -131 | 127.4 | 152.4 | 0 | 0 | 0 | 0 | 0 | 105.1 | R74 | A72-R74 PolarHBondContact O-N 3.23Š| ||
| 73 | T | 60.5 | Low | 60.4 | Low | 146 Ų | 146 | 158.2 Ų | 158.2 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | trans | -41.5 | 104.3 | 169.7 | -57.5 | 0 | 0 | 0 | 0 | 108.3 | E75 | T73-E75 PolarHBondContact O-N 3.02Š| ||
| 74 | R | 65.5 | Low | 61.7 | Low | 240 Ų | 240 | 159.4 Ų | 159.4 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | trans | -71.2 | 90.8 | 173.7 | -75.5 | -172.4 | 171.4 | -161.1 | -1.9 | 105.5 | A72 R76 | A72-R74 PolarHBondContact O-N 3.23Å; R74-R76 PolarHBondContact O-N 3.43Å | ||
| 75 | E | 69.8 | Low | 63.3 | Low | 167 Ų | 167 | 166.8 Ų | 166.8 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | trans | -53.3 | 115.4 | 165.4 | -170.4 | 169.9 | -165.6 | 0 | 0 | 106.3 | T73 V77 | T73-E75 PolarHBondContact O-N 3.02Å; E75-V77 PolarHBondContact O-N 2.93Å | ||
| 76 | R | 74.3 | Confident | 64.5 | Low | 224 Ų | 224 | 164 Ų | 164 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -70.3 | 87.4 | -176.5 | -176.1 | -173.4 | -179 | -148.9 | 2.1 | 106.8 | R74 V78 | R74-R76 PolarHBondContact O-N 3.43Å; R76-V78 PolarHBondContact O-N 3.1Å | ||
| 77 | V | 78.1 | Confident | 65.6 | Low | 119 Ų | 119 | 158.5 Ų | 158.5 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | trans | -63.2 | 104.8 | 173.2 | 178.7 | 0 | 0 | 0 | 0 | 107.1 | E75 P79 | E75-V77 PolarHBondContact O-N 2.93Å; V77-P79 VanDerWaalsContact O-CD 3.3Å; V77-P79 WeakPolarHBondContact O-CD 3.44Å | ||
| 78 | V | 79.3 | Confident | 66.8 | Low | 109 Ų | 109 | 155.8 Ų | 155.8 | 66% | 0.661 | 79% | 0.794 | S | S | * | * | trans | -72.9 | 114.3 | 169.2 | 179.4 | 0 | 0 | 0 | 0 | 106 | R76 | R76-V78 PolarHBondContact O-N 3.1Š| ||
| 79 | P | 78.7 | Confident | 67.5 | Low | 94 Ų | 94 | 149.7 Ų | 149.7 | 61% | 0.61 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 141.8 | 179.6 | 22.6 | -30.7 | 0 | 0 | 0 | 109.5 | V77 | V77-P79 VanDerWaalsContact O-CD 3.3Å; V77-P79 WeakPolarHBondContact O-CD 3.44Å |
| 80 | P | 79.1 | Confident | 68.6 | Low | 109 Ų | 109 | 145.3 Ų | 145.3 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 140.9 | -178.2 | 22.1 | -32.2 | 0 | 0 | 0 | 110.3 | K82 | P80-K82 PolarHBondContact O-N 2.76Š|
| 81 | P | 76.7 | Confident | 69.9 | Low | 130 Ų | 130 | 136.3 Ų | 136.3 | 84% | 0.844 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 117.5 | -177 | 20.1 | -29.7 | 0 | 0 | 0 | 109.9 | ||
| 82 | K | 75.9 | Confident | 71 | Confident | 192 Ų | 192 | 139.3 Ų | 139.3 | 84% | 0.835 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 135.4 | 176.8 | -68.8 | 179.8 | -179.7 | 176.1 | 0 | 108.8 | P80 R84 | P80-K82 PolarHBondContact O-N 2.76Å; K82-R84 PolarHBondContact O-N 3.36Å |
| 83 | K | 70.8 | Confident | 72.2 | Confident | 207 Ų | 207 | 143.9 Ų | 143.9 | 90% | 0.9 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 124.1 | 173.7 | -70.5 | -177.6 | 179.4 | -178.5 | 0 | 109.1 | ||
| 84 | R | 67.4 | Low | 72.9 | Confident | 163 Ų | 163 | 142.3 Ų | 142.3 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 139.4 | 176.6 | -63.4 | 178 | 69.1 | -148.3 | 4.1 | 108.5 | K82 T86 S89 | K82-R84 PolarHBondContact O-N 3.36Å; R84-T86 PolarHBondContact O-N 3.15Å; R84-S89 PolarHBondContact NH2-OG 3.31Å |
| 85 | R | 69.8 | Low | 73.4 | Confident | 213 Ų | 213 | 136 Ų | 136 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 117.6 | 172.5 | -65.2 | -175 | -178.8 | -165.4 | 0.5 | 108.2 | G87 | R85-G87 PolarHBondContact O-N 3.34Š|
| 86 | T | 63.8 | Low | 74 | Confident | 155 Ų | 155 | 131.9 Ų | 131.9 | 95% | 0.951 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 12.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | R84 | R84-T86 PolarHBondContact O-N 3.15Š|
| 87 | G | 67 | Low | 74.3 | Confident | 73 Ų | 73 | 129.6 Ų | 129.6 | 75% | 0.753 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.8 | 4.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116 | R85 | R85-G87 PolarHBondContact O-N 3.34Š|
| 88 | V | 65.5 | Low | 74.7 | Confident | 125 Ų | 125 | 126.7 Ų | 126.7 | 76% | 0.758 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -131.9 | 28.7 | -176.5 | -162.9 | 0 | 0 | 0 | 0 | 110.8 | ||
| 89 | S | 68.2 | Low | 75.2 | Confident | 66 Ų | 66 | 125 Ų | 125 | 46% | 0.462 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -151 | 157.5 | -176.4 | -91.6 | 0 | 0 | 0 | 0 | 110.3 | R84 G91 | R84-S89 PolarHBondContact NH2-OG 3.31Å; S89-G91 PolarHBondContact O-N 3.49Å |
| 90 | F | 72.4 | Confident | 75.9 | Confident | 124 Ų | 124 | 126.4 Ų | 126.4 | 54% | 0.544 | 67% | 0.668 | S | S | . | * | trans | -50.4 | 101.6 | 165.5 | -53.4 | -76.9 | 0 | 0 | 0 | 108.9 | H94 F95 | F90-H94 HydrophobicContact CB-CB 4.15Å; F90-H94 HydrophobicContact CD1-CB 4.45Å; F90-H94 AromaticContact CD1-CD2 3.69Å; F90-H94 AromaticContact CD1-CE1 3.72Å; F90-H94 AromaticContact CD1-CG 3.71Å; F90-H94 AromaticContact CD1-ND1 3.74Å; F90-H94 AromaticContact CD1-NE2 3.66Å; F90-H94 AromaticContact CE1-CE1 3.96Å; F90-H94 AromaticContact CE1-NE2 3.95Å; F90-F95 HydrophobicContact CB-CE2 3.83Å; F90-F95 HydrophobicContact CB-CZ 3.74Å | ||
| 91 | G | 76.4 | Confident | 76.7 | Confident | 37 Ų | 37 | 125 Ų | 125 | 38% | 0.381 | 65% | 0.649 | S | S | . | * | trans | -83.8 | -178 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S89 E93 H94 F95 | S89-G91 PolarHBondContact O-N 3.49Å; G91-E93 VanDerWaalsContact C-N 3.27Å; G91-E93 PolarHBondContact O-N 2.72Å; G91-H94 VanDerWaalsContact O-CB 3.28Å; G91-H94 WeakPolarHBondContact O-CB 3.45Å; G91-H94 PolarHBondContact O-N 3.05Å; G91-F95 VanDerWaalsContact O-CD2 3.3Å; G91-F95 WeakPolarHBondContact O-CD2 3.48Å | ||
| 92 | D | 75.8 | Confident | 77.5 | Confident | 148 Ų | 148 | 125.2 Ų | 125.2 | 79% | 0.791 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -61.2 | -36.3 | -176.8 | -64.3 | -30.6 | 0 | 0 | 0 | 112.5 | H94 F95 A96 | D92-H94 PolarHBondContact O-N 3.05Å; D92-F95 PolarHBondContact O-N 3.03Å; D92-A96 PolarHBondContact O-N 3.5Å; D92-A96 VanDerWaalsContact O-N 3.12Å |
| 93 | E | 80.6 | Confident | 78.5 | Confident | 180 Ų | 180 | 120.8 Ų | 120.8 | 84% | 0.841 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -49.5 | -41.5 | 170.7 | -66.1 | -85.9 | 141.4 | 0 | 0 | 112.2 | G91 F95 A96 | G91-E93 VanDerWaalsContact C-N 3.27Å; G91-E93 PolarHBondContact O-N 2.72Å; E93-F95 PolarHBondContact O-N 3.31Å; E93-A96 WeakPolarHBondContact O-CB 3.43Å; E93-A96 PolarHBondContact O-N 3.02Å |
| 94 | H | 76.4 | Confident | 79.8 | Confident | 113 Ų | 113 | 115 Ų | 115 | 52% | 0.523 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -72.5 | -17.5 | -175.5 | -136.8 | -60.7 | 0 | 0 | 0 | 113.1 | F90 G91 D92 | F90-H94 HydrophobicContact CB-CB 4.15Å; F90-H94 HydrophobicContact CD1-CB 4.45Å; F90-H94 AromaticContact CD1-CD2 3.69Å; F90-H94 AromaticContact CD1-CE1 3.72Å; F90-H94 AromaticContact CD1-CG 3.71Å; F90-H94 AromaticContact CD1-ND1 3.74Å; F90-H94 AromaticContact CD1-NE2 3.66Å; F90-H94 AromaticContact CE1-CE1 3.96Å; F90-H94 AromaticContact CE1-NE2 3.95Å; G91-H94 VanDerWaalsContact O-CB 3.28Å; G91-H94 WeakPolarHBondContact O-CB 3.45Å; G91-H94 PolarHBondContact O-N 3.05Å; D92-H94 PolarHBondContact O-N 3.05Å |
| 95 | F | 75.3 | Confident | 81.1 | Confident | 107 Ų | 107 | 110.7 Ų | 110.7 | 47% | 0.469 | 63% | 0.625 | S | S | . | * | G | 310 helix | trans | -105.8 | -3.4 | 176.9 | -60.6 | -68.2 | 0 | 0 | 0 | 112.5 | F90 G91 D92 E93 E97 T98 | F90-F95 HydrophobicContact CB-CE2 3.83Å; F90-F95 HydrophobicContact CB-CZ 3.74Å; G91-F95 VanDerWaalsContact O-CD2 3.3Å; G91-F95 WeakPolarHBondContact O-CD2 3.48Å; D92-F95 PolarHBondContact O-N 3.03Å; E93-F95 PolarHBondContact O-N 3.31Å; F95-E97 PolarHBondContact O-N 2.95Å; F95-T98 PolarHBondContact O-N 3.18Å; F95-T98 VanDerWaalsContact O-N 3.16Å |
| 96 | A | 81.9 | Confident | 82.4 | Confident | 81 Ų | 81 | 106.3 Ų | 106.3 | 67% | 0.669 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -23.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | D92 E93 T98 | D92-A96 PolarHBondContact O-N 3.5Å; D92-A96 VanDerWaalsContact O-N 3.12Å; E93-A96 WeakPolarHBondContact O-CB 3.43Å; E93-A96 PolarHBondContact O-N 3.02Å; A96-T98 PolarHBondContact O-N 2.97Å |
| 97 | E | 81.3 | Confident | 83.8 | Confident | 176 Ų | 176 | 106.8 Ų | 106.8 | 82% | 0.822 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -26.5 | 176.3 | -62.3 | 175.9 | -173.8 | 0 | 0 | 113.2 | F95 | F95-E97 PolarHBondContact O-N 2.95Š|
| 98 | T | 86.1 | Confident | 85.2 | Confident | 59 Ų | 59 | 106.9 Ų | 106.9 | 36% | 0.362 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -122 | 115.1 | -172.3 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | F95 A96 V109 | F95-T98 PolarHBondContact O-N 3.18Å; F95-T98 VanDerWaalsContact O-N 3.16Å; A96-T98 PolarHBondContact O-N 2.97Å; T98-V109 HydrophobicContact CG2-CB 4.17Å; T98-V109 HydrophobicContact CG2-CG1 3.34Å; T98-V109 HydrophobicContact CG2-CG2 3.77Å |
| 99 | S | 90.8 | Very high | 86.5 | Confident | 72 Ų | 72 | 104.4 Ų | 104.4 | 50% | 0.503 | 57% | 0.565 | S | S | . | * | trans | -77.9 | 133.6 | 173.2 | 66.3 | 0 | 0 | 0 | 0 | 112 | R110 | S99-R110 PolarHBondContact O-N 2.85Å; S99-R110 WeakPolarHBondContact OG-CD 3.45Å | ||
| 100 | Y | 93 | Very high | 87.8 | Confident | 125 Ų | 125 | 107.8 Ų | 107.8 | 49% | 0.49 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.7 | 161.8 | 179.7 | 63.3 | -94.1 | 0 | 0 | 0 | 112.3 | F102 R107 K108 | Y100-F102 HydrophobicContact CD2-CD2 4.43Å; Y100-F102 AromaticContact CD2-CE2 3.97Å; Y100-F102 HydrophobicContact CD2-CE2 3.97Å; Y100-F102 HydrophobicContact CE2-CD2 4.42Å; Y100-F102 AromaticContact CE2-CE2 3.65Å; Y100-F102 HydrophobicContact CE2-CE2 3.65Å; Y100-F102 HydrophobicContact CE2-CZ 4.29Å; Y100-R107 HydrophobicContact CD2-CG 3.75Å; Y100-R107 HydrophobicContact CG-CG 3.98Å; Y100-K108 CarbonylContact C-O 3.57Å; Y100-K108 WeakPolarHBondContact CA-O 3.26Å; Y100-K108 VanDerWaalsContact CB-O 3.27Å; Y100-K108 WeakPolarHBondContact CB-O 3.39Å |
| 101 | Y | 94.6 | Very high | 88.8 | Confident | 78 Ų | 78 | 108.1 Ų | 108.1 | 31% | 0.306 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -140.1 | 160.1 | 172.5 | 66.4 | -78.7 | 0 | 0 | 0 | 110.1 | E103 R107 K108 R110 | Y101-E103 HydrophobicContact CD2-CB 4.35Å; Y101-E103 HydrophobicContact CE2-CB 4.14Å; Y101-R107 WeakPolarHBondContact O-CA 3.48Å; Y101-K108 HydrophobicContact CD1-CB 4.03Å; Y101-K108 HydrophobicContact CD2-CB 4.41Å; Y101-K108 HydrophobicContact CE1-CB 3.53Å; Y101-K108 HydrophobicContact CE2-CB 3.96Å; Y101-K108 HydrophobicContact CE2-CD 3.75Å; Y101-K108 HydrophobicContact CE2-CG 4.36Å; Y101-K108 HydrophobicContact CG-CB 4.44Å; Y101-K108 VanDerWaalsContact CZ-CB 3.49Å; Y101-K108 PolarHBondContact N-O 3.28Å; Y101-K108 PolarHBondContact O-N 3.21Å; Y101-K108 VanDerWaalsContact OH-CD 3.28Å; Y101-K108 WeakPolarHBondContact OH-CD 3.46Å; Y101-R110 HydrophobicContact CD1-CG 3.89Å; Y101-R110 HydrophobicContact CE1-CG 4.31Å |
| 102 | F | 95.4 | Very high | 89.5 | Confident | 135 Ų | 135 | 113.6 Ų | 113.6 | 59% | 0.592 | 59% | 0.593 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.1 | 134.7 | 175.9 | -71.1 | -90.1 | 0 | 0 | 0 | 110.3 | Y100 L106 R107 | Y100-F102 HydrophobicContact CD2-CD2 4.43Å; Y100-F102 AromaticContact CD2-CE2 3.97Å; Y100-F102 HydrophobicContact CD2-CE2 3.97Å; Y100-F102 HydrophobicContact CE2-CD2 4.42Å; Y100-F102 AromaticContact CE2-CE2 3.65Å; Y100-F102 HydrophobicContact CE2-CE2 3.65Å; Y100-F102 HydrophobicContact CE2-CZ 4.29Å; F102-L106 VanDerWaalsContact CA-O 3.32Å; F102-L106 WeakPolarHBondContact CA-O 3.42Å; F102-R107 HydrophobicContact CD1-CB 4.04Å; F102-R107 HydrophobicContact CE1-CB 3.68Å; F102-R107 HydrophobicContact CE1-CG 4.16Å; F102-R107 HydrophobicContact CZ-CB 4.18Å; F102-R107 HydrophobicContact CZ-CG 4.16Å |
| 103 | E | 96.9 | Very high | 90.1 | Very high | 100 Ų | 100 | 117.2 Ų | 117.2 | 47% | 0.467 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -141.7 | 123.1 | 176 | -169.3 | -169.7 | 141 | 0 | 0 | 108.4 | Y101 G105 L106 K108 | Y101-E103 HydrophobicContact CD2-CB 4.35Å; Y101-E103 HydrophobicContact CE2-CB 4.14Å; E103-G105 PolarHBondContact O-N 3Å; E103-L106 PolarHBondContact N-O 2.84Å; E103-L106 PolarHBondContact O-N 3.11Å; E103-K108 HydrophobicContact CB-CD 4.32Å; E103-K108 IonicContact OE1-NZ 3.3Å; E103-K108 PolarHBondContact OE1-NZ 3.23Å; E103-K108 WeakPolarHBondContact OE2-CE 3.1Å; E103-K108 IonicContact OE2-NZ 3.05Å; E103-K108 PolarHBondContact OE2-NZ 3.36Å |
| 104 | G | 96.4 | Very high | 90.6 | Very high | 85 Ų | 85 | 114.4 Ų | 114.4 | 88% | 0.876 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.5 | 29.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L106 | G104-L106 VanDerWaalsContact C-N 3.28Å; G104-L106 PolarHBondContact O-N 3.17Å |
| 105 | G | 96.3 | Very high | 91.3 | Very high | 73 Ų | 73 | 114.3 Ų | 114.3 | 75% | 0.753 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.2 | 1.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | E103 | E103-G105 PolarHBondContact O-N 3Š|
| 106 | L | 96.1 | Very high | 92.2 | Very high | 121 Ų | 121 | 118.1 Ų | 118.1 | 63% | 0.634 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.8 | 135.8 | 177.1 | -67.8 | 158 | 0 | 0 | 0 | 110.7 | F102 E103 G104 | F102-L106 VanDerWaalsContact CA-O 3.32Å; F102-L106 WeakPolarHBondContact CA-O 3.42Å; E103-L106 PolarHBondContact N-O 2.84Å; E103-L106 PolarHBondContact O-N 3.11Å; G104-L106 VanDerWaalsContact C-N 3.28Å; G104-L106 PolarHBondContact O-N 3.17Å |
| 107 | R | 94.3 | Very high | 92.8 | Very high | 164 Ų | 164 | 124.4 Ų | 124.4 | 62% | 0.619 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.7 | 122.2 | 173.9 | -170.5 | 175.7 | 69.6 | 175 | 3 | 110.2 | Y100 Y101 F102 | Y100-R107 HydrophobicContact CD2-CG 3.75Å; Y100-R107 HydrophobicContact CG-CG 3.98Å; Y101-R107 WeakPolarHBondContact O-CA 3.48Å; F102-R107 HydrophobicContact CD1-CB 4.04Å; F102-R107 HydrophobicContact CE1-CB 3.68Å; F102-R107 HydrophobicContact CE1-CG 4.16Å; F102-R107 HydrophobicContact CZ-CB 4.18Å; F102-R107 HydrophobicContact CZ-CG 4.16Å |
| 108 | K | 94.6 | Very high | 93.4 | Very high | 75 Ų | 75 | 120.4 Ų | 120.4 | 33% | 0.326 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.6 | 145.1 | 177.5 | -63.4 | -176.6 | -178.4 | -179.1 | 0 | 110.5 | Y100 Y101 E103 | Y100-K108 CarbonylContact C-O 3.57Å; Y100-K108 WeakPolarHBondContact CA-O 3.26Å; Y100-K108 VanDerWaalsContact CB-O 3.27Å; Y100-K108 WeakPolarHBondContact CB-O 3.39Å; Y101-K108 HydrophobicContact CD1-CB 4.03Å; Y101-K108 HydrophobicContact CD2-CB 4.41Å; Y101-K108 HydrophobicContact CE1-CB 3.53Å; Y101-K108 HydrophobicContact CE2-CB 3.96Å; Y101-K108 HydrophobicContact CE2-CD 3.75Å; Y101-K108 HydrophobicContact CE2-CG 4.36Å; Y101-K108 HydrophobicContact CG-CB 4.44Å; Y101-K108 VanDerWaalsContact CZ-CB 3.49Å; Y101-K108 PolarHBondContact N-O 3.28Å; Y101-K108 PolarHBondContact O-N 3.21Å; Y101-K108 VanDerWaalsContact OH-CD 3.28Å; Y101-K108 WeakPolarHBondContact OH-CD 3.46Å; E103-K108 HydrophobicContact CB-CD 4.32Å; E103-K108 IonicContact OE1-NZ 3.3Å; E103-K108 PolarHBondContact OE1-NZ 3.23Å; E103-K108 WeakPolarHBondContact OE2-CE 3.1Å; E103-K108 IonicContact OE2-NZ 3.05Å; E103-K108 PolarHBondContact OE2-NZ 3.36Å |
| 109 | V | 94.7 | Very high | 93.8 | Very high | 73 Ų | 73 | 127.8 Ų | 127.8 | 44% | 0.442 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.7 | 138.3 | 171.9 | 174 | 0 | 0 | 0 | 0 | 108.5 | T98 Y112 | T98-V109 HydrophobicContact CG2-CB 4.17Å; T98-V109 HydrophobicContact CG2-CG1 3.34Å; T98-V109 HydrophobicContact CG2-CG2 3.77Å; V109-Y112 HydrophobicContact CG1-CD1 3.81Å; V109-Y112 HydrophobicContact CG1-CE1 3.74Å |
| 110 | R | 93.5 | Very high | 94 | Very high | 137 Ų | 137 | 127.8 Ų | 127.8 | 52% | 0.517 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -66.5 | 143.4 | 174.1 | -68 | -168.3 | 175.8 | -91.4 | -0.2 | 109.9 | S99 Y101 Y112 | S99-R110 PolarHBondContact O-N 2.85Å; S99-R110 WeakPolarHBondContact OG-CD 3.45Å; Y101-R110 HydrophobicContact CD1-CG 3.89Å; Y101-R110 HydrophobicContact CE1-CG 4.31Å; R110-Y112 WeakPolarHBondContact O-CD1 3.5Å; R110-Y112 PolarHBondContact O-N 3.3Å |
| 111 | P | 94.8 | Very high | 94.1 | Very high | 131 Ų | 131 | 126 Ų | 126 | 85% | 0.851 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 134.3 | 173.8 | -25.9 | 34.5 | 0 | 0 | 0 | 111 | ||
| 112 | Y | 90.2 | Very high | 94.2 | Very high | 153 Ų | 153 | 125.3 Ų | 125.3 | 60% | 0.6 | 63% | 0.63 | S | S | * | * | trans | -145.6 | 155.8 | -176.6 | 68.7 | -79.3 | 0 | 0 | 0 | 110.7 | V109 R110 F114 | V109-Y112 HydrophobicContact CG1-CD1 3.81Å; V109-Y112 HydrophobicContact CG1-CE1 3.74Å; R110-Y112 WeakPolarHBondContact O-CD1 3.5Å; R110-Y112 PolarHBondContact O-N 3.3Å; Y112-F114 HydrophobicContact CD2-CB 4.35Å; Y112-F114 HydrophobicContact CE2-CB 3.88Å; Y112-F114 HydrophobicContact CE2-CD2 4.01Å; Y112-F114 HydrophobicContact CE2-CG 4.36Å | ||
| 113 | Y | 89.8 | Confident | 94.3 | Very high | 224 Ų | 224 | 125.5 Ų | 125.5 | 88% | 0.878 | 63% | 0.627 | S | S | * | * | trans | -84 | 135.9 | 167.6 | -65.5 | -67.9 | 0 | 0 | 0 | 109.2 | ||||
| 114 | F | 90.2 | Very high | 94.3 | Very high | 121 Ų | 121 | 121.4 Ų | 121.4 | 53% | 0.531 | 61% | 0.607 | S | S | . | * | trans | -115.4 | 130.7 | 176.4 | -176.4 | -104.9 | 0 | 0 | 0 | 110.5 | Y112 F116 | Y112-F114 HydrophobicContact CD2-CB 4.35Å; Y112-F114 HydrophobicContact CE2-CB 3.88Å; Y112-F114 HydrophobicContact CE2-CD2 4.01Å; Y112-F114 HydrophobicContact CE2-CG 4.36Å; F114-F116 AromaticContact CD1-CD1 3.87Å; F114-F116 HydrophobicContact CD1-CD1 3.87Å; F114-F116 HydrophobicContact CD1-CD2 4.08Å; F114-F116 AromaticContact CD1-CE1 3.75Å; F114-F116 HydrophobicContact CD1-CE1 3.75Å; F114-F116 AromaticContact CD1-CE2 3.97Å; F114-F116 HydrophobicContact CD1-CE2 3.97Å; F114-F116 HydrophobicContact CD1-CG 4.04Å; F114-F116 AromaticContact CD1-CZ 3.81Å; F114-F116 HydrophobicContact CD1-CZ 3.81Å; F114-F116 AromaticContact CE1-CD1 3.74Å; F114-F116 HydrophobicContact CE1-CD1 3.74Å; F114-F116 AromaticContact CE1-CE1 3.87Å; F114-F116 HydrophobicContact CE1-CE1 3.87Å; F114-F116 HydrophobicContact CE1-CG 4.17Å; F114-F116 HydrophobicContact CE1-CZ 4.4Å | ||
| 115 | D | 91.8 | Very high | 94.3 | Very high | 110 Ų | 110 | 120.4 Ų | 120.4 | 59% | 0.588 | 58% | 0.584 | S | S | * | * | trans | -89.3 | 108.3 | 176.3 | -66.3 | -20.3 | 0 | 0 | 0 | 110 | R117 | D115-R117 PolarHBondContact O-N 3.01Å; D115-R117 IonicContact OD2-NH2 3.94Å | ||
| 116 | F | 93.6 | Very high | 94.4 | Very high | 187 Ų | 187 | 119.5 Ų | 119.5 | 82% | 0.82 | 57% | 0.574 | S | S | * | * | trans | -73.6 | 116.4 | 172.5 | -66.8 | -84.3 | 0 | 0 | 0 | 110.1 | F114 | F114-F116 AromaticContact CD1-CD1 3.87Å; F114-F116 HydrophobicContact CD1-CD1 3.87Å; F114-F116 HydrophobicContact CD1-CD2 4.08Å; F114-F116 AromaticContact CD1-CE1 3.75Å; F114-F116 HydrophobicContact CD1-CE1 3.75Å; F114-F116 AromaticContact CD1-CE2 3.97Å; F114-F116 HydrophobicContact CD1-CE2 3.97Å; F114-F116 HydrophobicContact CD1-CG 4.04Å; F114-F116 AromaticContact CD1-CZ 3.81Å; F114-F116 HydrophobicContact CD1-CZ 3.81Å; F114-F116 AromaticContact CE1-CD1 3.74Å; F114-F116 HydrophobicContact CE1-CD1 3.74Å; F114-F116 AromaticContact CE1-CE1 3.87Å; F114-F116 HydrophobicContact CE1-CE1 3.87Å; F114-F116 HydrophobicContact CE1-CG 4.17Å; F114-F116 HydrophobicContact CE1-CZ 4.4Å | ||
| 117 | R | 94.5 | Very high | 94.5 | Very high | 214 Ų | 214 | 117.5 Ų | 117.5 | 81% | 0.808 | 56% | 0.561 | S | S | * | * | trans | -114.3 | 135 | 176.7 | -60.6 | -178.4 | -171.5 | 174.4 | 2.9 | 110.3 | D115 | D115-R117 PolarHBondContact O-N 3.01Å; D115-R117 IonicContact OD2-NH2 3.94Å | ||
| 118 | T | 94.5 | Very high | 94.6 | Very high | 91 Ų | 91 | 110.9 Ų | 110.9 | 56% | 0.558 | 54% | 0.54 | S | S | * | . | trans | -148.3 | 148.6 | 176.1 | -163 | 0 | 0 | 0 | 0 | 109.8 | W124 F137 | T118-W124 HydrophobicContact CG2-CH2 4.39Å; T118-W124 HydrophobicContact CG2-CZ3 4.32Å; T118-F137 HydrophobicContact CG2-CZ 4.1Å | ||
| 119 | Y | 94.9 | Very high | 94.7 | Very high | 214 Ų | 214 | 108 Ų | 108 | 84% | 0.839 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -86.5 | 147.4 | 173.2 | -65.2 | -69 | 0 | 0 | 0 | 110.3 | K121 | Y119-K121 PolarHBondContact O-N 2.91Š|
| 120 | C | 94.8 | Very high | 94.8 | Very high | 72 Ų | 72 | 106.9 Ų | 106.9 | 49% | 0.486 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 129.6 | 172.8 | -72.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 121 | K | 95.1 | Very high | 95 | Very high | 87 Ų | 87 | 104.1 Ų | 104.1 | 38% | 0.378 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -85.4 | 149.1 | 174.5 | -60.9 | -173.6 | -174.8 | 169.3 | 0 | 110 | Y119 R123 W124 | Y119-K121 PolarHBondContact O-N 2.91Å; K121-R123 HydrophobicContact CB-CG 4.21Å; K121-R123 VanDerWaalsContact CD-CZ 3.45Å; K121-R123 VanDerWaalsContact CD-NH1 3.34Å; K121-R123 VanDerWaalsContact NZ-NH2 3.11Å; K121-R123 PolarHBondContact O-N 2.84Å; K121-W124 HydrophobicContact CB-CD2 3.89Å; K121-W124 HydrophobicContact CB-CE3 4.34Å; K121-W124 HydrophobicContact CB-CG 4.12Å; K121-W124 HydrophobicContact CB-CZ2 4.47Å; K121-W124 HydrophobicContact CD-CH2 4.38Å; K121-W124 HydrophobicContact CD-CZ2 3.84Å; K121-W124 HydrophobicContact CG-CD2 4.26Å; K121-W124 HydrophobicContact CG-CE3 4.47Å; K121-W124 HydrophobicContact CG-CH2 4.19Å; K121-W124 HydrophobicContact CG-CZ2 4.01Å; K121-W124 HydrophobicContact CG-CZ3 4.43Å; K121-W124 WeakPolarHBondContact O-CB 3.21Å; K121-W124 PolarHBondContact O-N 3.02Å |
| 122 | G | 96.7 | Very high | 95.1 | Very high | 64 Ų | 64 | 98.1 Ų | 98.1 | 66% | 0.66 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -55.5 | -37.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | W124 V125 | G122-W124 PolarHBondContact O-N 3.47Å; G122-V125 WeakPolarHBondContact O-CB 3.41Å; G122-V125 WeakPolarHBondContact O-CG2 3.36Å; G122-V125 PolarHBondContact O-N 3.42Å; G122-V125 VanDerWaalsContact O-N 3.17Å |
| 123 | R | 96.7 | Very high | 95.4 | Very high | 140 Ų | 140 | 92 Ų | 92 | 53% | 0.528 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -67.8 | -11.2 | 176.7 | 67.5 | 170.3 | -175.7 | -95.6 | 8.6 | 115 | K121 H127 E136 | K121-R123 HydrophobicContact CB-CG 4.21Å; K121-R123 VanDerWaalsContact CD-CZ 3.45Å; K121-R123 VanDerWaalsContact CD-NH1 3.34Å; K121-R123 VanDerWaalsContact NZ-NH2 3.11Å; K121-R123 PolarHBondContact O-N 2.84Å; R123-H127 PolarHBondContact O-CD2 3.19Å; R123-E136 IonicContact CZ-OE1 2.77Å; R123-E136 VanDerWaalsContact CZ-OE1 3.3Å; R123-E136 IonicContact CZ-OE2 2.68Å; R123-E136 IonicContact NE-OE1 3.77Å; R123-E136 PolarHBondContact NE-OE1 3.36Å; R123-E136 IonicContact NE-OE2 3.24Å; R123-E136 VanDerWaalsContact NH2-CD 3.32Å; R123-E136 IonicContact NH2-OE1 2.72Å; R123-E136 PolarHBondContact NH2-OE1 3.3Å; R123-E136 IonicContact NH2-OE2 3.93Å; R123-E136 PolarHBondContact NH2-OE2 2.68Å |
| 124 | W | 97.3 | Very high | 95.7 | Very high | 14 Ų | 14 | 84.7 Ų | 84.7 | 5% | 0.053 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -90.1 | -13 | 176.8 | -58.7 | -16.3 | 0 | 0 | 0 | 112.1 | T118 K121 G122 G126 H127 V132 E136 F137 L168 | T118-W124 HydrophobicContact CG2-CH2 4.39Å; T118-W124 HydrophobicContact CG2-CZ3 4.32Å; K121-W124 HydrophobicContact CB-CD2 3.89Å; K121-W124 HydrophobicContact CB-CE3 4.34Å; K121-W124 HydrophobicContact CB-CG 4.12Å; K121-W124 HydrophobicContact CB-CZ2 4.47Å; K121-W124 HydrophobicContact CD-CH2 4.38Å; K121-W124 HydrophobicContact CD-CZ2 3.84Å; K121-W124 HydrophobicContact CG-CD2 4.26Å; K121-W124 HydrophobicContact CG-CE3 4.47Å; K121-W124 HydrophobicContact CG-CH2 4.19Å; K121-W124 HydrophobicContact CG-CZ2 4.01Å; K121-W124 HydrophobicContact CG-CZ3 4.43Å; K121-W124 WeakPolarHBondContact O-CB 3.21Å; K121-W124 PolarHBondContact O-N 3.02Å; G122-W124 PolarHBondContact O-N 3.47Å; W124-G126 PolarHBondContact O-N 2.77Å; W124-H127 WeakPolarHBondContact O-CB 3.33Å; W124-H127 PolarHBondContact O-N 2.92Å; W124-V132 HydrophobicContact CB-CG2 3.9Å; W124-V132 HydrophobicContact CD2-CG1 3.8Å; W124-V132 HydrophobicContact CD2-CG2 4.23Å; W124-V132 HydrophobicContact CE3-CG1 3.97Å; W124-V132 HydrophobicContact CG-CG1 4.28Å; W124-V132 HydrophobicContact CG-CG2 3.88Å; W124-V132 HydrophobicContact CH2-CG1 4.3Å; W124-V132 HydrophobicContact CZ2-CG1 4.11Å; W124-V132 HydrophobicContact CZ3-CG1 4.22Å; W124-E136 HydrophobicContact CZ2-CB 4.24Å; W124-E136 HydrophobicContact CZ2-CG 4.06Å; W124-E136 PolarHBondContact NE1-OE1 3.22Å; W124-F137 AromaticContact CH2-CE2 3.74Å; W124-F137 HydrophobicContact CH2-CE2 3.74Å; W124-F137 AromaticContact CH2-CZ 3.7Å; W124-F137 HydrophobicContact CH2-CZ 3.7Å; W124-F137 HydrophobicContact CZ2-CE2 4.08Å; W124-F137 HydrophobicContact CZ2-CZ 4.28Å; W124-F137 HydrophobicContact CZ3-CE2 4.44Å; W124-L168 HydrophobicContact CB-CD1 3.84Å; W124-L168 HydrophobicContact CE3-CD1 4.39Å |
| 125 | V | 96.9 | Very high | 95.9 | Very high | 64 Ų | 64 | 82.4 Ų | 82.4 | 39% | 0.388 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 133.9 | 176 | 177 | 0 | 0 | 0 | 0 | 109.2 | G122 H127 V170 | G122-V125 WeakPolarHBondContact O-CB 3.41Å; G122-V125 WeakPolarHBondContact O-CG2 3.36Å; G122-V125 PolarHBondContact O-N 3.42Å; G122-V125 VanDerWaalsContact O-N 3.17Å; V125-H127 VanDerWaalsContact C-N 3.26Å; V125-H127 PolarHBondContact O-N 3.18Å; V125-V170 HydrophobicContact CG1-CG2 4.15Å; V125-V170 HydrophobicContact CG2-CG2 3.83Å |
| 126 | G | 96.9 | Very high | 96.1 | Very high | 53 Ų | 53 | 80.6 Ų | 80.6 | 55% | 0.546 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -6.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | W124 L168 | W124-G126 PolarHBondContact O-N 2.77Å; G126-L168 PolarHBondContact N-O 3.29Å |
| 127 | H | 98 | Very high | 96.1 | Very high | 79 Ų | 79 | 74.8 Ų | 74.8 | 37% | 0.366 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -102.3 | 151.6 | 173.9 | -68.1 | -70.7 | 0 | 0 | 0 | 112.1 | R123 W124 V125 H131 V132 L168 | R123-H127 PolarHBondContact O-CD2 3.19Å; W124-H127 WeakPolarHBondContact O-CB 3.33Å; W124-H127 PolarHBondContact O-N 2.92Å; V125-H127 VanDerWaalsContact C-N 3.26Å; V125-H127 PolarHBondContact O-N 3.18Å; H127-H131 HydrophobicContact CB-CB 4.34Å; H127-H131 AromaticContact CE1-NE2 3.82Å; H127-H131 AromaticContact CG-CD2 3.55Å; H127-H131 AromaticContact ND1-CD2 3.34Å; H127-H131 PolarHBondContact ND1-CD2 2.98Å; H127-H131 VanDerWaalsContact ND1-CD2 3.34Å; H127-H131 AromaticContact ND1-CG 3.92Å; H127-H131 AromaticContact ND1-NE2 3.61Å; H127-V132 HydrophobicContact CB-CG2 4.33Å; H127-L168 PolarHBondContact O-N 3.06Å |
| 128 | S | 97.8 | Very high | 96 | Very high | 26 Ų | 26 | 75.7 Ų | 75.7 | 18% | 0.182 | 39% | 0.393 | C | S | . | . | B | Isolated β-bridge | trans | -76.1 | 156.1 | 173.6 | 65.3 | 0 | 0 | 0 | 0 | 112 | L130 H131 V132 I166 | S128-L130 PolarHBondContact O-N 2.84Å; S128-H131 WeakPolarHBondContact O-CB 3.46Å; S128-H131 PolarHBondContact O-N 3.47Å; S128-H131 VanDerWaalsContact O-N 3.1Å; S128-H131 PolarHBondContact OG-N 2.95Å; S128-V132 WeakPolarHBondContact O-CG2 3.34Å; S128-V132 PolarHBondContact O-N 2.94Å; S128-I166 CarbonylContact C-O 3.52Å; S128-I166 WeakPolarHBondContact CA-O 3.28Å |
| 129 | L | 97 | Very high | 95.9 | Very high | 13 Ų | 13 | 75.3 Ų | 75.3 | 7% | 0.068 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -55.7 | -38.6 | 171.2 | -72.1 | 173.7 | 0 | 0 | 0 | 111.6 | H131 V132 F133 L154 V161 L164 I166 L168 | L129-H131 VanDerWaalsContact C-N 3.34Å; L129-H131 PolarHBondContact O-N 3.42Å; L129-V132 PolarHBondContact O-N 3.23Å; L129-F133 HydrophobicContact CB-CD2 4.28Å; L129-F133 HydrophobicContact CB-CE2 4.04Å; L129-F133 HydrophobicContact CD2-CE2 4.36Å; L129-F133 WeakPolarHBondContact O-CD2 3.18Å; L129-F133 WeakPolarHBondContact O-CG 3.3Å; L129-F133 PolarHBondContact O-N 3.34Å; L129-L154 HydrophobicContact CD1-CD2 4.36Å; L129-V161 HydrophobicContact CD1-CG1 3.9Å; L129-V161 HydrophobicContact CD1-CG2 4.1Å; L129-L164 HydrophobicContact CB-CD2 4.24Å; L129-L164 WeakPolarHBondContact CB-O 3.3Å; L129-L164 PolarHBondContact N-O 2.87Å; L129-I166 HydrophobicContact CD1-CB 4.35Å; L129-I166 PolarHBondContact N-O 3.17Å; L129-L168 HydrophobicContact CD2-CD1 4.24Å; L129-L168 HydrophobicContact CD2-CD2 3.9Å; L129-L168 HydrophobicContact CD2-CG 4.28Å; L129-L168 HydrophobicContact CG-CD2 4.37Å |
| 130 | L | 96.8 | Very high | 95.9 | Very high | 51 Ų | 51 | 69.4 Ų | 69.4 | 27% | 0.267 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -54.8 | -49.4 | 174.6 | -165.2 | 85.9 | 0 | 0 | 0 | 111.3 | S128 F133 S134 L142 L164 | S128-L130 PolarHBondContact O-N 2.84Å; L130-F133 PolarHBondContact O-N 3.19Å; L130-S134 WeakPolarHBondContact O-CB 3.4Å; L130-S134 PolarHBondContact O-N 3.38Å; L130-S134 PolarHBondContact O-OG 3.33Å; L130-L142 HydrophobicContact CD1-CD1 3.88Å; L130-L142 HydrophobicContact CD1-CD2 3.74Å; L130-L142 HydrophobicContact CD1-CG 3.99Å; L130-L142 HydrophobicContact CG-CD1 4.26Å; L130-L142 HydrophobicContact CG-CD2 4.12Å; L130-L164 HydrophobicContact CB-CB 3.98Å; L130-L164 HydrophobicContact CD1-CB 3.77Å; L130-L164 HydrophobicContact CD1-CD1 3.81Å; L130-L164 HydrophobicContact CD1-CG 4.46Å; L130-L164 PolarHBondContact N-O 3.22Å |
| 131 | H | 97.1 | Very high | 96 | Very high | 79 Ų | 79 | 70.1 Ų | 70.1 | 37% | 0.366 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 178.7 | -177 | 78.6 | 0 | 0 | 0 | 111.2 | H127 S128 L129 S134 T135 | H127-H131 HydrophobicContact CB-CB 4.34Å; H127-H131 AromaticContact CE1-NE2 3.82Å; H127-H131 AromaticContact CG-CD2 3.55Å; H127-H131 AromaticContact ND1-CD2 3.34Å; H127-H131 PolarHBondContact ND1-CD2 2.98Å; H127-H131 VanDerWaalsContact ND1-CD2 3.34Å; H127-H131 AromaticContact ND1-CG 3.92Å; H127-H131 AromaticContact ND1-NE2 3.61Å; S128-H131 WeakPolarHBondContact O-CB 3.46Å; S128-H131 PolarHBondContact O-N 3.47Å; S128-H131 VanDerWaalsContact O-N 3.1Å; S128-H131 PolarHBondContact OG-N 2.95Å; L129-H131 VanDerWaalsContact C-N 3.34Å; L129-H131 PolarHBondContact O-N 3.42Å; H131-S134 PolarHBondContact O-N 3.35Å; H131-S134 PolarHBondContact O-OG 3.37Å; H131-T135 WeakPolarHBondContact O-CG2 3.48Å; H131-T135 PolarHBondContact O-N 2.88Å; H131-T135 VanDerWaalsContact O-N 3.15Å; H131-T135 PolarHBondContact O-OG1 2.9Å |
| 132 | V | 97.3 | Very high | 96 | Very high | 4 Ų | 4 | 68.8 Ų | 68.8 | 2% | 0.024 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 179.2 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | W124 H127 S128 L129 S134 T135 E136 F137 L168 | W124-V132 HydrophobicContact CB-CG2 3.9Å; W124-V132 HydrophobicContact CD2-CG1 3.8Å; W124-V132 HydrophobicContact CD2-CG2 4.23Å; W124-V132 HydrophobicContact CE3-CG1 3.97Å; W124-V132 HydrophobicContact CG-CG1 4.28Å; W124-V132 HydrophobicContact CG-CG2 3.88Å; W124-V132 HydrophobicContact CH2-CG1 4.3Å; W124-V132 HydrophobicContact CZ2-CG1 4.11Å; W124-V132 HydrophobicContact CZ3-CG1 4.22Å; H127-V132 HydrophobicContact CB-CG2 4.33Å; S128-V132 WeakPolarHBondContact O-CG2 3.34Å; S128-V132 PolarHBondContact O-N 2.94Å; L129-V132 PolarHBondContact O-N 3.23Å; V132-S134 VanDerWaalsContact C-N 3.33Å; V132-S134 PolarHBondContact O-N 3.12Å; V132-T135 PolarHBondContact O-N 3.44Å; V132-T135 PolarHBondContact O-OG1 2.85Å; V132-E136 HydrophobicContact CG1-CB 4.5Å; V132-E136 HydrophobicContact CG1-CG 4.42Å; V132-E136 WeakPolarHBondContact O-CB 3.42Å; V132-E136 PolarHBondContact O-N 3.08Å; V132-F137 HydrophobicContact CG1-CD2 4.17Å; V132-F137 HydrophobicContact CG1-CE2 3.83Å; V132-L168 HydrophobicContact CG2-CD1 4.1Å |
| 133 | F | 96.6 | Very high | 96 | Very high | 25 Ų | 25 | 68.6 Ų | 68.6 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 177.9 | -72.8 | -51.4 | 0 | 0 | 0 | 112.6 | L129 L130 T135 F137 L142 Y145 L154 L164 | L129-F133 HydrophobicContact CB-CD2 4.28Å; L129-F133 HydrophobicContact CB-CE2 4.04Å; L129-F133 HydrophobicContact CD2-CE2 4.36Å; L129-F133 WeakPolarHBondContact O-CD2 3.18Å; L129-F133 WeakPolarHBondContact O-CG 3.3Å; L129-F133 PolarHBondContact O-N 3.34Å; L130-F133 PolarHBondContact O-N 3.19Å; F133-T135 VanDerWaalsContact C-N 3.31Å; F133-T135 PolarHBondContact O-N 2.89Å; F133-F137 HydrophobicContact CD1-CB 4.19Å; F133-F137 AromaticContact CD1-CD2 3.71Å; F133-F137 HydrophobicContact CD1-CD2 3.71Å; F133-F137 HydrophobicContact CD1-CE2 4.4Å; F133-F137 HydrophobicContact CD1-CG 4.12Å; F133-F137 HydrophobicContact CE1-CD2 4.1Å; F133-F137 HydrophobicContact CE1-CE2 4.39Å; F133-L142 HydrophobicContact CB-CD1 4.16Å; F133-Y145 HydrophobicContact CB-CD2 3.86Å; F133-Y145 HydrophobicContact CB-CE2 4.05Å; F133-Y145 HydrophobicContact CB-CG 4.22Å; F133-Y145 AromaticContact CD1-CD1 3.75Å; F133-Y145 HydrophobicContact CD1-CD1 3.75Å; F133-Y145 HydrophobicContact CD1-CD2 4.23Å; F133-Y145 AromaticContact CD1-CE1 3.57Å; F133-Y145 HydrophobicContact CD1-CE1 3.57Å; F133-Y145 HydrophobicContact CD1-CE2 4.05Å; F133-Y145 HydrophobicContact CD1-CG 4.08Å; F133-Y145 AromaticContact CD1-CZ 3.73Å; F133-Y145 HydrophobicContact CD2-CD1 4.22Å; F133-Y145 HydrophobicContact CD2-CG 4.09Å; F133-Y145 AromaticContact CE1-CD1 3.86Å; F133-Y145 HydrophobicContact CE1-CD1 3.86Å; F133-Y145 AromaticContact CE1-CE1 3.71Å; F133-Y145 HydrophobicContact CE1-CE1 3.71Å; F133-Y145 HydrophobicContact CE2-CD1 4.3Å; F133-Y145 AromaticContact CG-CD1 3.98Å; F133-Y145 HydrophobicContact CG-CD1 3.98Å; F133-Y145 AromaticContact CG-CD2 3.99Å; F133-Y145 HydrophobicContact CG-CD2 3.99Å; F133-Y145 HydrophobicContact CG-CE1 4.21Å; F133-Y145 HydrophobicContact CG-CE2 4.2Å; F133-Y145 AromaticContact CG-CG 3.87Å; F133-Y145 HydrophobicContact CG-CG 3.87Å; F133-Y145 HydrophobicContact CZ-CD1 4.16Å; F133-Y145 HydrophobicContact CZ-CE1 4.42Å; F133-L154 HydrophobicContact CE2-CD1 3.64Å; F133-L154 HydrophobicContact CE2-CD2 4.45Å; F133-L154 HydrophobicContact CZ-CD1 3.63Å; F133-L154 HydrophobicContact CZ-CD2 4.46Å; F133-L154 HydrophobicContact CZ-CG 4.45Å; F133-L164 HydrophobicContact CD2-CD2 3.9Å; F133-L164 HydrophobicContact CE2-CD2 3.8Å |
| 134 | S | 95.3 | Very high | 96 | Very high | 70 Ų | 70 | 66.5 Ų | 66.5 | 49% | 0.49 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.1 | -27.9 | 178.5 | 72.5 | 0 | 0 | 0 | 0 | 114.1 | L130 H131 V132 | L130-S134 WeakPolarHBondContact O-CB 3.4Å; L130-S134 PolarHBondContact O-N 3.38Å; L130-S134 PolarHBondContact O-OG 3.33Å; H131-S134 PolarHBondContact O-N 3.35Å; H131-S134 PolarHBondContact O-OG 3.37Å; V132-S134 VanDerWaalsContact C-N 3.33Å; V132-S134 PolarHBondContact O-N 3.12Å |
| 135 | T | 95.3 | Very high | 95.9 | Very high | 73 Ų | 73 | 67.1 Ų | 67.1 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -105.1 | -41.6 | -169.9 | 50.6 | 0 | 0 | 0 | 0 | 113.1 | H131 V132 F133 | H131-T135 WeakPolarHBondContact O-CG2 3.48Å; H131-T135 PolarHBondContact O-N 2.88Å; H131-T135 VanDerWaalsContact O-N 3.15Å; H131-T135 PolarHBondContact O-OG1 2.9Å; V132-T135 PolarHBondContact O-N 3.44Å; V132-T135 PolarHBondContact O-OG1 2.85Å; F133-T135 VanDerWaalsContact C-N 3.31Å; F133-T135 PolarHBondContact O-N 2.89Å |
| 136 | E | 95.7 | Very high | 95.9 | Very high | 72 Ų | 72 | 67.9 Ų | 67.9 | 34% | 0.336 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -98 | -32.3 | -171 | -62.8 | -86.8 | -173.8 | 0 | 0 | 112.4 | R123 W124 V132 | R123-E136 IonicContact CZ-OE1 2.77Å; R123-E136 VanDerWaalsContact CZ-OE1 3.3Å; R123-E136 IonicContact CZ-OE2 2.68Å; R123-E136 IonicContact NE-OE1 3.77Å; R123-E136 PolarHBondContact NE-OE1 3.36Å; R123-E136 IonicContact NE-OE2 3.24Å; R123-E136 VanDerWaalsContact NH2-CD 3.32Å; R123-E136 IonicContact NH2-OE1 2.72Å; R123-E136 PolarHBondContact NH2-OE1 3.3Å; R123-E136 IonicContact NH2-OE2 3.93Å; R123-E136 PolarHBondContact NH2-OE2 2.68Å; W124-E136 HydrophobicContact CZ2-CB 4.24Å; W124-E136 HydrophobicContact CZ2-CG 4.06Å; W124-E136 PolarHBondContact NE1-OE1 3.22Å; V132-E136 HydrophobicContact CG1-CB 4.5Å; V132-E136 HydrophobicContact CG1-CG 4.42Å; V132-E136 WeakPolarHBondContact O-CB 3.42Å; V132-E136 PolarHBondContact O-N 3.08Å |
| 137 | F | 93.9 | Very high | 95.9 | Very high | 65 Ų | 65 | 66.9 Ų | 66.9 | 29% | 0.285 | 35% | 0.354 | S | S | . | . | trans | -109.7 | 82.9 | -171.7 | -64.9 | -81.8 | 0 | 0 | 0 | 112 | T118 W124 V132 F133 A139 Y145 | T118-F137 HydrophobicContact CG2-CZ 4.1Å; W124-F137 AromaticContact CH2-CE2 3.74Å; W124-F137 HydrophobicContact CH2-CE2 3.74Å; W124-F137 AromaticContact CH2-CZ 3.7Å; W124-F137 HydrophobicContact CH2-CZ 3.7Å; W124-F137 HydrophobicContact CZ2-CE2 4.08Å; W124-F137 HydrophobicContact CZ2-CZ 4.28Å; W124-F137 HydrophobicContact CZ3-CE2 4.44Å; V132-F137 HydrophobicContact CG1-CD2 4.17Å; V132-F137 HydrophobicContact CG1-CE2 3.83Å; F133-F137 HydrophobicContact CD1-CB 4.19Å; F133-F137 AromaticContact CD1-CD2 3.71Å; F133-F137 HydrophobicContact CD1-CD2 3.71Å; F133-F137 HydrophobicContact CD1-CE2 4.4Å; F133-F137 HydrophobicContact CD1-CG 4.12Å; F133-F137 HydrophobicContact CE1-CD2 4.1Å; F133-F137 HydrophobicContact CE1-CE2 4.39Å; F137-A139 VanDerWaalsContact C-N 3.29Å; F137-A139 PolarHBondContact O-N 3.24Å; F137-Y145 WeakPolarHBondContact CB-OH 3.28Å | ||
| 138 | R | 91.8 | Very high | 95.8 | Very high | 233 Ų | 233 | 63.4 Ų | 63.4 | 88% | 0.879 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 2.3 | -175.8 | -59.2 | 179.5 | 67.4 | 167.9 | 2.2 | 114.8 | ||
| 139 | A | 93.2 | Very high | 95.7 | Very high | 84 Ų | 84 | 63 Ų | 63 | 69% | 0.694 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -26.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F137 | F137-A139 VanDerWaalsContact C-N 3.29Å; F137-A139 PolarHBondContact O-N 3.24Å |
| 140 | Q | 94.8 | Very high | 95.7 | Very high | 89 Ų | 89 | 71.1 Ų | 71.1 | 42% | 0.416 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -135.6 | 148.4 | -179.3 | -66.7 | -63.5 | -60.2 | 0 | 0 | 110.1 | Y144 Y145 | Q140-Y144 HydrophobicContact CB-CD1 3.73Å; Q140-Y144 HydrophobicContact CB-CE1 4.44Å; Q140-Y144 HydrophobicContact CB-CG 3.93Å; Q140-Y144 HydrophobicContact CG-CD1 3.86Å; Q140-Y144 HydrophobicContact CG-CE1 4.11Å; Q140-Y144 HydrophobicContact CG-CG 4.12Å; Q140-Y145 HydrophobicContact CB-CE2 3.98Å |
| 141 | P | 95.8 | Very high | 95.6 | Very high | 87 Ų | 87 | 71.8 Ų | 71.8 | 57% | 0.565 | 38% | 0.377 | S | S | * | . | trans | -71 | 160.7 | 176 | 30.8 | -35.5 | 0 | 0 | 0 | 111.5 | A143 Y144 | P141-A143 VanDerWaalsContact C-N 3.26Å; P141-A143 PolarHBondContact O-N 3.02Å; P141-Y144 VanDerWaalsContact O-CB 3.26Å; P141-Y144 WeakPolarHBondContact O-CB 3.35Å; P141-Y144 PolarHBondContact O-N 3.41Å | ||
| 142 | L | 95.2 | Very high | 95.5 | Very high | 60 Ų | 60 | 69.8 Ų | 69.8 | 31% | 0.314 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.5 | -38.2 | -178.3 | -161.9 | 64.3 | 0 | 0 | 0 | 113.2 | L130 F133 Y144 Y145 E146 | L130-L142 HydrophobicContact CD1-CD1 3.88Å; L130-L142 HydrophobicContact CD1-CD2 3.74Å; L130-L142 HydrophobicContact CD1-CG 3.99Å; L130-L142 HydrophobicContact CG-CD1 4.26Å; L130-L142 HydrophobicContact CG-CD2 4.12Å; F133-L142 HydrophobicContact CB-CD1 4.16Å; L142-Y144 PolarHBondContact O-N 3Å; L142-Y144 VanDerWaalsContact O-N 3.17Å; L142-Y145 PolarHBondContact O-N 3Å; L142-E146 PolarHBondContact O-N 3.34Å; L142-E146 VanDerWaalsContact O-N 3.11Å |
| 143 | A | 96.3 | Very high | 95.5 | Very high | 60 Ų | 60 | 76.7 Ų | 76.7 | 50% | 0.496 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57.6 | -29.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | P141 A147 | P141-A143 VanDerWaalsContact C-N 3.26Å; P141-A143 PolarHBondContact O-N 3.02Å; A143-A147 WeakPolarHBondContact O-CB 3.15Å; A143-A147 PolarHBondContact O-N 3.02Å |
| 144 | Y | 96.8 | Very high | 95.4 | Very high | 95 Ų | 95 | 76.6 Ų | 76.6 | 37% | 0.373 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 174.3 | 173.6 | -91.6 | 0 | 0 | 0 | 111.1 | Q140 P141 L142 A147 A148 | Q140-Y144 HydrophobicContact CB-CD1 3.73Å; Q140-Y144 HydrophobicContact CB-CE1 4.44Å; Q140-Y144 HydrophobicContact CB-CG 3.93Å; Q140-Y144 HydrophobicContact CG-CD1 3.86Å; Q140-Y144 HydrophobicContact CG-CE1 4.11Å; Q140-Y144 HydrophobicContact CG-CG 4.12Å; P141-Y144 VanDerWaalsContact O-CB 3.26Å; P141-Y144 WeakPolarHBondContact O-CB 3.35Å; P141-Y144 PolarHBondContact O-N 3.41Å; L142-Y144 PolarHBondContact O-N 3Å; L142-Y144 VanDerWaalsContact O-N 3.17Å; Y144-A147 PolarHBondContact O-N 3.19Å; Y144-A148 WeakPolarHBondContact O-CB 3.47Å; Y144-A148 PolarHBondContact O-N 2.8Å |
| 145 | Y | 96.4 | Very high | 95.5 | Very high | 27 Ų | 27 | 79.3 Ų | 79.3 | 11% | 0.106 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -68.5 | -38.1 | 179.9 | -63.4 | -71.6 | 0 | 0 | 0 | 111.7 | F133 F137 Q140 L142 A147 A148 V149 L154 | F133-Y145 HydrophobicContact CB-CD2 3.86Å; F133-Y145 HydrophobicContact CB-CE2 4.05Å; F133-Y145 HydrophobicContact CB-CG 4.22Å; F133-Y145 AromaticContact CD1-CD1 3.75Å; F133-Y145 HydrophobicContact CD1-CD1 3.75Å; F133-Y145 HydrophobicContact CD1-CD2 4.23Å; F133-Y145 AromaticContact CD1-CE1 3.57Å; F133-Y145 HydrophobicContact CD1-CE1 3.57Å; F133-Y145 HydrophobicContact CD1-CE2 4.05Å; F133-Y145 HydrophobicContact CD1-CG 4.08Å; F133-Y145 AromaticContact CD1-CZ 3.73Å; F133-Y145 HydrophobicContact CD2-CD1 4.22Å; F133-Y145 HydrophobicContact CD2-CG 4.09Å; F133-Y145 AromaticContact CE1-CD1 3.86Å; F133-Y145 HydrophobicContact CE1-CD1 3.86Å; F133-Y145 AromaticContact CE1-CE1 3.71Å; F133-Y145 HydrophobicContact CE1-CE1 3.71Å; F133-Y145 HydrophobicContact CE2-CD1 4.3Å; F133-Y145 AromaticContact CG-CD1 3.98Å; F133-Y145 HydrophobicContact CG-CD1 3.98Å; F133-Y145 AromaticContact CG-CD2 3.99Å; F133-Y145 HydrophobicContact CG-CD2 3.99Å; F133-Y145 HydrophobicContact CG-CE1 4.21Å; F133-Y145 HydrophobicContact CG-CE2 4.2Å; F133-Y145 AromaticContact CG-CG 3.87Å; F133-Y145 HydrophobicContact CG-CG 3.87Å; F133-Y145 HydrophobicContact CZ-CD1 4.16Å; F133-Y145 HydrophobicContact CZ-CE1 4.42Å; F137-Y145 WeakPolarHBondContact CB-OH 3.28Å; Q140-Y145 HydrophobicContact CB-CE2 3.98Å; L142-Y145 PolarHBondContact O-N 3Å; Y145-A147 PolarHBondContact O-N 2.98Å; Y145-A148 WeakPolarHBondContact O-CB 3.28Å; Y145-A148 PolarHBondContact O-N 3.25Å; Y145-V149 WeakPolarHBondContact O-CG2 3.37Å; Y145-V149 PolarHBondContact O-N 2.96Å; Y145-L154 HydrophobicContact CD1-CD1 4.28Å |
| 146 | E | 95.6 | Very high | 95.5 | Very high | 80 Ų | 80 | 78 Ų | 78 | 37% | 0.374 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 172 | -67.9 | 176.8 | -175 | 0 | 0 | 111.7 | L142 A148 V149 R150 L164 | L142-E146 PolarHBondContact O-N 3.34Å; L142-E146 VanDerWaalsContact O-N 3.11Å; E146-A148 VanDerWaalsContact C-N 3.31Å; E146-A148 PolarHBondContact O-N 3.16Å; E146-V149 PolarHBondContact O-N 3.01Å; E146-R150 WeakPolarHBondContact O-CG 3.42Å; E146-R150 PolarHBondContact O-N 2.92Å; E146-L164 HydrophobicContact CG-CD1 3.77Å |
| 147 | A | 96.4 | Very high | 95.5 | Very high | 33 Ų | 33 | 80.1 Ų | 80.1 | 27% | 0.273 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.4 | -36.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | A143 Y144 Y145 R150 A151 | A143-A147 WeakPolarHBondContact O-CB 3.15Å; A143-A147 PolarHBondContact O-N 3.02Å; Y144-A147 PolarHBondContact O-N 3.19Å; Y145-A147 PolarHBondContact O-N 2.98Å; A147-R150 PolarHBondContact O-N 3.01Å; A147-A151 VanDerWaalsContact O-CB 3.3Å; A147-A151 WeakPolarHBondContact O-CB 3.21Å; A147-A151 PolarHBondContact O-N 2.86Å |
| 148 | A | 95.9 | Very high | 95.5 | Very high | 5 Ų | 5 | 85.7 Ų | 85.7 | 4% | 0.041 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y144 Y145 E146 A151 G152 R153 | Y144-A148 WeakPolarHBondContact O-CB 3.47Å; Y144-A148 PolarHBondContact O-N 2.8Å; Y145-A148 WeakPolarHBondContact O-CB 3.28Å; Y145-A148 PolarHBondContact O-N 3.25Å; E146-A148 VanDerWaalsContact C-N 3.31Å; E146-A148 PolarHBondContact O-N 3.16Å; A148-A151 CarbonylContact O-C 3.47Å; A148-A151 PolarHBondContact O-N 3.3Å; A148-G152 PolarHBondContact O-N 3.18Å; A148-G152 VanDerWaalsContact O-N 3.12Å; A148-R153 HydrophobicContact CB-CB 4.39Å; A148-R153 PolarHBondContact O-N 2.79Å |
| 149 | V | 96.9 | Very high | 95.7 | Very high | 17 Ų | 17 | 81.9 Ų | 81.9 | 10% | 0.103 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63 | -49.4 | 172.2 | 165.9 | 0 | 0 | 0 | 0 | 110.7 | Y145 E146 A151 G152 L154 V161 Q162 L164 | Y145-V149 WeakPolarHBondContact O-CG2 3.37Å; Y145-V149 PolarHBondContact O-N 2.96Å; E146-V149 PolarHBondContact O-N 3.01Å; V149-A151 PolarHBondContact O-N 2.86Å; V149-G152 PolarHBondContact O-N 2.87Å; V149-L154 HydrophobicContact CG2-CB 4.05Å; V149-L154 HydrophobicContact CG2-CD1 4.17Å; V149-V161 HydrophobicContact CG2-CG1 4.11Å; V149-Q162 VanDerWaalsContact CG1-C 3.44Å; V149-Q162 WeakPolarHBondContact CG1-O 3.27Å; V149-L164 HydrophobicContact CG2-CD2 3.53Å; V149-L164 HydrophobicContact CG2-CG 3.95Å |
| 150 | R | 96.1 | Very high | 95.8 | Very high | 185 Ų | 185 | 82.1 Ų | 82.1 | 70% | 0.698 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -58.4 | -34.4 | 176 | -70.6 | -169.2 | -62.7 | -101.8 | 2 | 113 | E146 A147 G152 | E146-R150 WeakPolarHBondContact O-CG 3.42Å; E146-R150 PolarHBondContact O-N 2.92Å; A147-R150 PolarHBondContact O-N 3.01Å; R150-G152 VanDerWaalsContact C-N 3.32Å |
| 151 | A | 95.6 | Very high | 95.9 | Very high | 65 Ų | 65 | 78.3 Ų | 78.3 | 54% | 0.537 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -1.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | A147 A148 V149 R153 | A147-A151 VanDerWaalsContact O-CB 3.3Å; A147-A151 WeakPolarHBondContact O-CB 3.21Å; A147-A151 PolarHBondContact O-N 2.86Å; A148-A151 CarbonylContact O-C 3.47Å; A148-A151 PolarHBondContact O-N 3.3Å; V149-A151 PolarHBondContact O-N 2.86Å; A151-R153 VanDerWaalsContact C-N 3.26Å; A151-R153 HydrophobicContact CB-CG 4.1Å; A151-R153 PolarHBondContact O-N 3.05Å |
| 152 | G | 95.6 | Very high | 95.8 | Very high | 36 Ų | 36 | 82.9 Ų | 82.9 | 37% | 0.371 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 19 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A148 V149 R150 | A148-G152 PolarHBondContact O-N 3.18Å; A148-G152 VanDerWaalsContact O-N 3.12Å; V149-G152 PolarHBondContact O-N 2.87Å; R150-G152 VanDerWaalsContact C-N 3.32Å |
| 153 | R | 95.4 | Very high | 95.9 | Very high | 149 Ų | 149 | 83.7 Ų | 83.7 | 56% | 0.562 | 43% | 0.425 | S | S | * | . | trans | -86.2 | -11.7 | -177.6 | -64.8 | -173.6 | -64.5 | -176.4 | 1.3 | 113.7 | A148 A151 | A148-R153 HydrophobicContact CB-CB 4.39Å; A148-R153 PolarHBondContact O-N 2.79Å; A151-R153 VanDerWaalsContact C-N 3.26Å; A151-R153 HydrophobicContact CB-CG 4.1Å; A151-R153 PolarHBondContact O-N 3.05Å | ||
| 154 | L | 96.3 | Very high | 95.9 | Very high | 23 Ų | 23 | 81 Ų | 81 | 12% | 0.12 | 40% | 0.402 | C | S | . | . | trans | -102.2 | 126.4 | -178.5 | -157.9 | 145.1 | 0 | 0 | 0 | 109.7 | L129 F133 Y145 V149 V161 L164 | L129-L154 HydrophobicContact CD1-CD2 4.36Å; F133-L154 HydrophobicContact CE2-CD1 3.64Å; F133-L154 HydrophobicContact CE2-CD2 4.45Å; F133-L154 HydrophobicContact CZ-CD1 3.63Å; F133-L154 HydrophobicContact CZ-CD2 4.46Å; F133-L154 HydrophobicContact CZ-CG 4.45Å; Y145-L154 HydrophobicContact CD1-CD1 4.28Å; V149-L154 HydrophobicContact CG2-CB 4.05Å; V149-L154 HydrophobicContact CG2-CD1 4.17Å; L154-V161 HydrophobicContact CD2-CB 3.67Å; L154-V161 HydrophobicContact CD2-CG1 4.06Å; L154-V161 HydrophobicContact CD2-CG2 3.53Å; L154-V161 PolarHBondContact O-N 3.04Å; L154-L164 HydrophobicContact CD1-CD2 4.37Å | ||
| 155 | Q | 96.4 | Very high | 95.9 | Very high | 127 Ų | 127 | 81 Ų | 81 | 59% | 0.593 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 144 | -177.6 | -61.4 | 178.2 | 6 | 0 | 0 | 110.6 | K159 | Q155-K159 CarbonylContact C-O 3.55Å; Q155-K159 WeakPolarHBondContact CA-O 3.32Å |
| 156 | L | 95.8 | Very high | 95.9 | Very high | 47 Ų | 47 | 83 Ų | 83 | 25% | 0.246 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 121.3 | 172.2 | -179.6 | 63.7 | 0 | 0 | 0 | 107.4 | E158 K159 V161 I166 L168 | L156-E158 VanDerWaalsContact C-N 3.29Å; L156-E158 PolarHBondContact O-N 3.18Å; L156-K159 PolarHBondContact N-O 3.22Å; L156-K159 PolarHBondContact O-N 3.19Å; L156-K159 VanDerWaalsContact O-N 3.08Å; L156-V161 HydrophobicContact CB-CG2 3.62Å; L156-I166 HydrophobicContact CD2-CG2 4.46Å; L156-L168 HydrophobicContact CD1-CD2 4.12Å; L156-L168 HydrophobicContact CD2-CD2 3.9Å |
| 157 | N | 94.6 | Very high | 96 | Very high | 116 Ų | 116 | 83.1 Ų | 83.1 | 62% | 0.62 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 50.4 | -174.3 | -59.6 | -9.8 | 0 | 0 | 0 | 112 | K159 | N157-K159 PolarHBondContact O-N 3.12Š|
| 158 | E | 94.6 | Very high | 96 | Very high | 182 Ų | 182 | 82.1 Ų | 82.1 | 85% | 0.85 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 8.4 | 179.4 | -51.1 | -177.9 | 151.9 | 0 | 0 | 115.1 | L156 | L156-E158 VanDerWaalsContact C-N 3.29Å; L156-E158 PolarHBondContact O-N 3.18Å |
| 159 | K | 95.2 | Very high | 95.9 | Very high | 153 Ų | 153 | 90.7 Ų | 90.7 | 67% | 0.665 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 137.1 | 177.3 | -66.1 | 174.2 | -175 | 172 | 0 | 110.3 | Q155 L156 N157 V161 | Q155-K159 CarbonylContact C-O 3.55Å; Q155-K159 WeakPolarHBondContact CA-O 3.32Å; L156-K159 PolarHBondContact N-O 3.22Å; L156-K159 PolarHBondContact O-N 3.19Å; L156-K159 VanDerWaalsContact O-N 3.08Å; N157-K159 PolarHBondContact O-N 3.12Å; K159-V161 PolarHBondContact O-N 3.27Å |
| 160 | P | 96 | Very high | 95.7 | Very high | 89 Ų | 89 | 94.9 Ų | 94.9 | 58% | 0.578 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 135.3 | 177.6 | 26.5 | -33.6 | 0 | 0 | 0 | 110.6 | ||
| 161 | V | 96.6 | Very high | 95.2 | Very high | 8 Ų | 8 | 94 Ų | 94 | 5% | 0.048 | 48% | 0.482 | C | S | . | . | trans | -84.4 | 134 | 176.1 | 170.2 | 0 | 0 | 0 | 0 | 109.2 | L129 V149 L154 L156 K159 D163 I166 | L129-V161 HydrophobicContact CD1-CG1 3.9Å; L129-V161 HydrophobicContact CD1-CG2 4.1Å; V149-V161 HydrophobicContact CG2-CG1 4.11Å; L154-V161 HydrophobicContact CD2-CB 3.67Å; L154-V161 HydrophobicContact CD2-CG1 4.06Å; L154-V161 HydrophobicContact CD2-CG2 3.53Å; L154-V161 PolarHBondContact O-N 3.04Å; L156-V161 HydrophobicContact CB-CG2 3.62Å; K159-V161 PolarHBondContact O-N 3.27Å; V161-D163 WeakPolarHBondContact CG1-O 3.14Å; V161-I166 HydrophobicContact CG1-CD1 3.93Å | ||
| 162 | Q | 95.1 | Very high | 94.1 | Very high | 183 Ų | 183 | 99.5 Ų | 99.5 | 86% | 0.855 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -98.1 | -27 | 177.7 | -60.2 | -174.4 | 26.2 | 0 | 0 | 113.1 | V149 | V149-Q162 VanDerWaalsContact CG1-C 3.44Å; V149-Q162 WeakPolarHBondContact CG1-O 3.27Å |
| 163 | D | 95.6 | Very high | 94 | Very high | 77 Ų | 77 | 102.7 Ų | 102.7 | 41% | 0.412 | 52% | 0.524 | S | S | . | . | trans | -144.5 | 142.7 | -177.8 | -171.8 | 0.5 | 0 | 0 | 0 | 110.8 | V161 N165 I166 | V161-D163 WeakPolarHBondContact CG1-O 3.14Å; D163-N165 VanDerWaalsContact C-N 3.29Å; D163-N165 PolarHBondContact OD1-N 3.2Å; D163-N165 PolarHBondContact OD1-ND2 2.99Å; D163-N165 WeakPolarHBondContact OD2-CB 3.32Å; D163-N165 PolarHBondContact OD2-ND2 3.2Å; D163-I166 WeakPolarHBondContact O-CD1 3.3Å; D163-I166 VanDerWaalsContact O-CG1 3.28Å; D163-I166 WeakPolarHBondContact O-CG1 3.49Å | ||
| 164 | L | 96.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 100.3 Ų | 100.3 | 2% | 0.021 | 52% | 0.522 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -13.2 | 174.3 | -65.4 | -178.6 | 0 | 0 | 0 | 112.9 | L129 L130 F133 E146 V149 L154 I166 | L129-L164 HydrophobicContact CB-CD2 4.24Å; L129-L164 WeakPolarHBondContact CB-O 3.3Å; L129-L164 PolarHBondContact N-O 2.87Å; L130-L164 HydrophobicContact CB-CB 3.98Å; L130-L164 HydrophobicContact CD1-CB 3.77Å; L130-L164 HydrophobicContact CD1-CD1 3.81Å; L130-L164 HydrophobicContact CD1-CG 4.46Å; L130-L164 PolarHBondContact N-O 3.22Å; F133-L164 HydrophobicContact CD2-CD2 3.9Å; F133-L164 HydrophobicContact CE2-CD2 3.8Å; E146-L164 HydrophobicContact CG-CD1 3.77Å; V149-L164 HydrophobicContact CG2-CD2 3.53Å; V149-L164 HydrophobicContact CG2-CG 3.95Å; L154-L164 HydrophobicContact CD1-CD2 4.37Å; L164-I166 PolarHBondContact O-N 3.14Å |
| 165 | N | 97.1 | Very high | 93.8 | Very high | 96 Ų | 96 | 104.6 Ų | 104.6 | 51% | 0.513 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -2.9 | 176.5 | -63.3 | -63.8 | 0 | 0 | 0 | 113.9 | D163 V167 | D163-N165 VanDerWaalsContact C-N 3.29Å; D163-N165 PolarHBondContact OD1-N 3.2Å; D163-N165 PolarHBondContact OD1-ND2 2.99Å; D163-N165 WeakPolarHBondContact OD2-CB 3.32Å; D163-N165 PolarHBondContact OD2-ND2 3.2Å; N165-V167 PolarHBondContact O-N 3.32Å |
| 166 | I | 96.7 | Very high | 93.6 | Very high | 67 Ų | 67 | 103.2 Ų | 103.2 | 34% | 0.344 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 124.7 | 175.5 | -64.4 | 173 | 0 | 0 | 0 | 110 | S128 L129 L156 V161 D163 L164 | S128-I166 CarbonylContact C-O 3.52Å; S128-I166 WeakPolarHBondContact CA-O 3.28Å; L129-I166 HydrophobicContact CD1-CB 4.35Å; L129-I166 PolarHBondContact N-O 3.17Å; L156-I166 HydrophobicContact CD2-CG2 4.46Å; V161-I166 HydrophobicContact CG1-CD1 3.93Å; D163-I166 WeakPolarHBondContact O-CD1 3.3Å; D163-I166 VanDerWaalsContact O-CG1 3.28Å; D163-I166 WeakPolarHBondContact O-CG1 3.49Å; L164-I166 PolarHBondContact O-N 3.14Å |
| 167 | V | 97.2 | Very high | 93.5 | Very high | 84 Ų | 84 | 106.8 Ų | 106.8 | 51% | 0.509 | 56% | 0.56 | S | S | . | * | B | Isolated β-bridge | trans | -84.8 | 126.5 | 176.5 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | N165 | N165-V167 PolarHBondContact O-N 3.32Å |
| 168 | L | 96.6 | Very high | 93.4 | Very high | 11 Ų | 11 | 106.1 Ų | 106.1 | 6% | 0.058 | 56% | 0.556 | C | S | . | * | P | Polyproline II helix | trans | -73 | 134.2 | 177.6 | -64 | 175.7 | 0 | 0 | 0 | 110.5 | W124 G126 H127 L129 V132 L156 | W124-L168 HydrophobicContact CB-CD1 3.84Å; W124-L168 HydrophobicContact CE3-CD1 4.39Å; G126-L168 PolarHBondContact N-O 3.29Å; H127-L168 PolarHBondContact O-N 3.06Å; L129-L168 HydrophobicContact CD2-CD1 4.24Å; L129-L168 HydrophobicContact CD2-CD2 3.9Å; L129-L168 HydrophobicContact CD2-CG 4.28Å; L129-L168 HydrophobicContact CG-CD2 4.37Å; V132-L168 HydrophobicContact CG2-CD1 4.1Å; L156-L168 HydrophobicContact CD1-CD2 4.12Å; L156-L168 HydrophobicContact CD2-CD2 3.9Å |
| 169 | K | 94.8 | Very high | 93.3 | Very high | 185 Ų | 185 | 100.7 Ų | 100.7 | 80% | 0.804 | 54% | 0.535 | S | S | * | . | trans | -136.2 | 156.3 | -179.6 | 62.4 | 179.7 | -179.1 | 175.2 | 0 | 110.8 | ||||
| 170 | V | 92.5 | Very high | 93.2 | Very high | 105 Ų | 105 | 96.7 Ų | 96.7 | 64% | 0.636 | 53% | 0.525 | S | S | * | . | trans | -72.2 | 132 | 169.7 | -177 | 0 | 0 | 0 | 0 | 107.8 | V125 S172 | V125-V170 HydrophobicContact CG1-CG2 4.15Å; V125-V170 HydrophobicContact CG2-CG2 3.83Å; V170-S172 PolarHBondContact O-N 2.97Å | ||
| 171 | E | 84.1 | Confident | 93 | Very high | 167 Ų | 167 | 97.3 Ų | 97.3 | 78% | 0.78 | 52% | 0.521 | S | S | * | . | trans | -73.5 | 117.2 | 171 | -165.9 | 161.8 | -158.2 | 0 | 0 | 107.7 | ||||
| 172 | S | 72.4 | Confident | 92.6 | Very high | 181 Ų | 181 | 105.5 Ų | 105.5 | 100% | 1.266 | 56% | 0.563 | S | S | * | * | trans | -96.4 | 0 | -176.9 | 54.9 | 0 | 0 | 0 | 0 | 111.5 | V170 | V170-S172 PolarHBondContact O-N 2.97Š|
Retrieved 172 of 172 residues in 178.7 ms
(Link to these results)