| 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 | 38.8 | Very low | 36.1 | Very low | 238 Ų | 238 | 151.7 Ų | 151.7 | 100% | 1.172 | 86% | 0.862 | S | S | * | * | 0 | 113 | 0 | -77.1 | 171.4 | 68.8 | 0 | 0 | 108.6 | |||||
| 2 | L | 35.2 | Very low | 36.3 | Very low | 171 Ų | 171 | 153.1 Ų | 153.1 | 90% | 0.895 | 86% | 0.863 | S | S | * | * | trans | 146.7 | 98.7 | 145.7 | -83.7 | 164.9 | 0 | 0 | 0 | 110 | ||||
| 3 | D | 35.7 | Very low | 37 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 84% | 0.84 | 85% | 0.852 | S | S | * | * | trans | -58.6 | 153.3 | 167 | -66.1 | -93 | 0 | 0 | 0 | 113 | ||||
| 4 | K | 35.6 | Very low | 37 | Very low | 198 Ų | 198 | 148 Ų | 148 | 86% | 0.861 | 85% | 0.849 | S | S | * | * | -159 | 142.2 | 126.5 | -124.6 | 169.1 | -178.3 | 175.3 | 0 | 116.3 | |||||
| 5 | S | 34.2 | Very low | 36.8 | Very low | 100 Ų | 100 | 147.5 Ų | 147.5 | 70% | 0.699 | 85% | 0.85 | S | S | * | * | trans | 67.6 | 97.2 | 150.2 | 49 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 6 | E | 41.3 | Very low | 36.9 | Very low | 193 Ų | 193 | 145.8 Ų | 145.8 | 90% | 0.902 | 85% | 0.85 | S | S | * | * | trans | -47.5 | 140.3 | 137.1 | -55.4 | 156.8 | 107 | 0 | 0 | 111.5 | ||||
| 7 | V | 39.4 | Very low | 36.6 | Very low | 131 Ų | 131 | 144.2 Ų | 144.2 | 79% | 0.794 | 85% | 0.848 | S | S | * | * | trans | -141.3 | 125.8 | 146.6 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 8 | A | 36.4 | Very low | 36.5 | Very low | 95 Ų | 95 | 144.3 Ų | 144.3 | 79% | 0.785 | 84% | 0.839 | S | S | * | * | trans | -82.9 | 139 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 9 | T | 35.9 | Very low | 36.3 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 87% | 0.865 | 83% | 0.834 | S | S | * | * | trans | -115.3 | 108 | 172.9 | -27.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 10 | L | 32.7 | Very low | 36 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 89% | 0.885 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 122 | 175.8 | -75.2 | 160.5 | 0 | 0 | 0 | 109.8 | ||
| 11 | G | 31.6 | Very low | 35.9 | Very low | 76 Ų | 76 | 136.2 Ų | 136.2 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 143.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 12 | L | 39.2 | Very low | 35.5 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -100 | 145 | 169.1 | -69.3 | 167.9 | 0 | 0 | 0 | 109.7 | ||
| 13 | P | 44.3 | Very low | 35.4 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 156.1 | 176.8 | 33.5 | -34.7 | 0 | 0 | 0 | 112.6 | ||
| 14 | P | 37.5 | Very low | 35.2 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 159.1 | -176.4 | 32.5 | -36.5 | 0 | 0 | 0 | 114 | ||
| 15 | T | 34.8 | Very low | 35.1 | Very low | 140 Ų | 140 | 126.4 Ų | 126.4 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 134.5 | -179.7 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 16 | S | 38.3 | Very low | 34.8 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -159.7 | 159.4 | 160.2 | 73.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 17 | S | 31 | Very low | 34.3 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | cis | -154.4 | 144.2 | -19.4 | 169.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 18 | H | 35.7 | Very low | 33.8 | Very low | 147 Ų | 147 | 125.8 Ų | 125.8 | 68% | 0.681 | 80% | 0.802 | S | S | * | * | trans | -95.7 | 125.5 | -169.7 | -160.5 | -63 | 0 | 0 | 0 | 112.8 | E70 | H18-E70 IonicContact CD2-OE1 3.82Š| ||
| 19 | G | 32.2 | Very low | 33.5 | Very low | 72 Ų | 72 | 124.5 Ų | 124.5 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | 161.3 | 133.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 20 | G | 30.8 | Very low | 33.2 | Very low | 67 Ų | 67 | 123.9 Ų | 123.9 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | cis | 154.1 | 106.6 | -3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 21 | S | 32.5 | Very low | 33.1 | Very low | 123 Ų | 123 | 120.6 Ų | 120.6 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -160 | 140.2 | 171.6 | -40.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 22 | D | 30.4 | Very low | 32.9 | Very low | 155 Ų | 155 | 122 Ų | 122 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | -75.2 | 150.2 | -178.6 | -64.9 | -81.3 | 0 | 0 | 0 | 114.5 | ||||
| 23 | S | 34.4 | Very low | 32.3 | Very low | 100 Ų | 100 | 119.2 Ų | 119.2 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | trans | 7.3 | 120.5 | 137.7 | -46.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 24 | N | 30.5 | Very low | 31.6 | Very low | 165 Ų | 165 | 118.6 Ų | 118.6 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | -158.5 | 148.7 | 109.3 | -101.4 | -29.5 | 0 | 0 | 0 | 114.6 | |||||
| 25 | I | 34.3 | Very low | 31.3 | Very low | 139 Ų | 139 | 117.6 Ų | 117.6 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | trans | -92.6 | 142.5 | 179.5 | -174.5 | 172 | 0 | 0 | 0 | 110 | ||||
| 26 | S | 27.5 | Very low | 31 | Very low | 124 Ų | 124 | 115.6 Ų | 115.6 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -165.6 | 126.2 | 143.3 | -83.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 27 | T | 30.6 | Very low | 30.7 | Very low | 116 Ų | 116 | 115 Ų | 115 | 71% | 0.712 | 81% | 0.809 | S | S | * | * | trans | -120.7 | 157 | 174.3 | 45.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 28 | D | 29.9 | Very low | 30.6 | Very low | 170 Ų | 170 | 113.4 Ų | 113.4 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | 73 | 136.3 | 170.6 | -62.6 | -29 | 0 | 0 | 0 | 118.7 | ||||
| 29 | G | 29.2 | Very low | 30.6 | Very low | 69 Ų | 69 | 111.1 Ų | 111.1 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | trans | -176.8 | 46.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 30 | S | 29.3 | Very low | 30.6 | Very low | 128 Ų | 128 | 114.7 Ų | 114.7 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | trans | 76.5 | 134.8 | 164.8 | 79.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 31 | A | 30 | Very low | 30.6 | Very low | 99 Ų | 99 | 115.3 Ų | 115.3 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -104.6 | 143.7 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 32 | A | 28.1 | Very low | 30.5 | Very low | 105 Ų | 105 | 113 Ų | 113 | 87% | 0.868 | 83% | 0.827 | S | S | * | * | trans | 173.3 | 105.9 | 141.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 33 | A | 27.1 | Very low | 31.2 | Very low | 110 Ų | 110 | 110.8 Ų | 110.8 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | -166.7 | 128.9 | 141.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 34 | A | 29.4 | Very low | 31.3 | Very low | 99 Ų | 99 | 115.1 Ų | 115.1 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | -119.4 | 149.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 35 | A | 30.3 | Very low | 31.7 | Very low | 103 Ų | 103 | 111.5 Ų | 111.5 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | trans | 67.2 | 102.5 | 150.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 36 | A | 29.8 | Very low | 32 | Very low | 97 Ų | 97 | 108.6 Ų | 108.6 | 80% | 0.802 | 83% | 0.829 | S | S | * | * | -153.9 | 101.9 | 123.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 37 | A | 32.5 | Very low | 32.8 | Very low | 109 Ų | 109 | 106.8 Ų | 106.8 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | 72.2 | 95.2 | 85.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 38 | G | 28.3 | Very low | 33.5 | Very low | 84 Ų | 84 | 106.4 Ų | 106.4 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | trans | -176.6 | 94.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 39 | A | 36.1 | Very low | 34.3 | Very low | 99 Ų | 99 | 99.7 Ų | 99.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -92.7 | 146 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 40 | V | 32.1 | Very low | 35.4 | Very low | 147 Ų | 147 | 100.8 Ų | 100.8 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | 168.3 | 132.2 | 125.2 | 154.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 41 | G | 30.7 | Very low | 36.8 | Very low | 81 Ų | 81 | 97.2 Ų | 97.2 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | trans | 39.9 | 127.1 | 148.6 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 42 | G | 29.7 | Very low | 38.5 | Very low | 74 Ų | 74 | 99 Ų | 99 | 76% | 0.763 | 74% | 0.737 | S | S | * | * | trans | 155.2 | 74.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | E44 | G42-E44 VanDerWaalsContact C-N 3.33Å; G42-E44 PolarHBondContact O-N 3.36Å; G42-E44 VanDerWaalsContact O-N 3.12Å | ||
| 43 | A | 44.4 | Very low | 40.4 | Very low | 109 Ų | 109 | 103.2 Ų | 103.2 | 90% | 0.901 | 73% | 0.73 | S | S | * | * | trans | -85.9 | 56.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 44 | E | 38.4 | Very low | 42.6 | Very low | 190 Ų | 190 | 99.9 Ų | 99.9 | 89% | 0.888 | 70% | 0.698 | S | S | * | * | trans | -138.7 | 26 | 176.9 | -73.6 | -147 | 138.9 | 0 | 0 | 115.5 | G42 | G42-E44 VanDerWaalsContact C-N 3.33Å; G42-E44 PolarHBondContact O-N 3.36Å; G42-E44 VanDerWaalsContact O-N 3.12Å | ||
| 45 | A | 37.4 | Very low | 44.8 | Very low | 90 Ų | 90 | 102.8 Ų | 102.8 | 74% | 0.744 | 69% | 0.688 | S | S | * | * | trans | -106.5 | 15.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 46 | A | 41.3 | Very low | 47.3 | Very low | 77 Ų | 77 | 100.4 Ų | 100.4 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -92.1 | -25.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 47 | S | 44.7 | Very low | 49.8 | Very low | 86 Ų | 86 | 97.9 Ų | 97.9 | 60% | 0.601 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -15.9 | -162.4 | 52.4 | 0 | 0 | 0 | 0 | 116 | P51 | S47-P51 WeakPolarHBondContact O-CD 3.46Å; S47-P51 VanDerWaalsContact O-CG 3.31Å; S47-P51 WeakPolarHBondContact O-CG 3.37Å |
| 48 | T | 44.8 | Very low | 52.3 | Low | 109 Ų | 109 | 94.4 Ų | 94.4 | 67% | 0.669 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -27.5 | -176.8 | 49 | 0 | 0 | 0 | 0 | 114.1 | P51 | T48-P51 WeakPolarHBondContact O-CD 3.44Š|
| 49 | G | 47.9 | Very low | 55.1 | Low | 29 Ų | 29 | 96.2 Ų | 96.2 | 30% | 0.299 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -84.4 | -21 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R53 | G49-R53 WeakPolarHBondContact O-CG 2.93Å; G49-R53 PolarHBondContact O-N 3.4Å |
| 50 | E | 51.4 | Low | 57.7 | Low | 92 Ų | 92 | 96.3 Ų | 96.3 | 43% | 0.43 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.5 | -44.2 | 177.5 | -172.1 | 169.1 | -146.4 | 0 | 0 | 113.1 | Q52 R53 T54 P138 | E50-Q52 PolarHBondContact O-N 2.79Å; E50-R53 PolarHBondContact O-N 2.85Å; E50-T54 PolarHBondContact O-N 2.83Å; E50-T54 PolarHBondContact O-OG1 3.34Å; E50-P138 HydrophobicContact CG-CB 4.03Å; E50-P138 HydrophobicContact CG-CG 4.13Å; E50-P138 WeakPolarHBondContact OE1-CB 3.39Å |
| 51 | P | 58.8 | Low | 60.5 | Low | 52 Ų | 52 | 90 Ų | 90 | 34% | 0.338 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.5 | -30.2 | 178.6 | -22.7 | 34.4 | 0 | 0 | 0 | 114.8 | S47 T48 T54 R55 | S47-P51 WeakPolarHBondContact O-CD 3.46Å; S47-P51 VanDerWaalsContact O-CG 3.31Å; S47-P51 WeakPolarHBondContact O-CG 3.37Å; T48-P51 WeakPolarHBondContact O-CD 3.44Å; P51-T54 WeakPolarHBondContact CA-OG1 3.42Å; P51-T54 PolarHBondContact O-OG1 3Å; P51-R55 VanDerWaalsContact O-CG 3.27Å; P51-R55 WeakPolarHBondContact O-CG 3.43Å; P51-R55 PolarHBondContact O-N 2.78Å |
| 52 | Q | 65.4 | Low | 63.5 | Low | 138 Ų | 138 | 90.6 Ų | 90.6 | 65% | 0.645 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -74.3 | -37.4 | 175.4 | -75.9 | 176.8 | -32.7 | 0 | 0 | 111.4 | E50 R55 A56 | E50-Q52 PolarHBondContact O-N 2.79Å; Q52-R55 PolarHBondContact O-N 3.37Å; Q52-A56 PolarHBondContact O-N 3.33Å |
| 53 | R | 68.8 | Low | 66.6 | Low | 193 Ų | 193 | 91.7 Ų | 91.7 | 73% | 0.728 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.5 | -35.9 | 176.1 | -72.5 | 174 | -178.7 | 159.9 | 2.6 | 112.7 | G49 E50 A57 | G49-R53 WeakPolarHBondContact O-CG 2.93Å; G49-R53 PolarHBondContact O-N 3.4Å; E50-R53 PolarHBondContact O-N 2.85Å; R53-A57 WeakPolarHBondContact O-CB 3.34Å; R53-A57 PolarHBondContact O-N 2.75Å |
| 54 | T | 72.1 | Confident | 69 | Low | 39 Ų | 39 | 89.8 Ų | 89.8 | 24% | 0.239 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -69.1 | -40.6 | 174.5 | 52.5 | 0 | 0 | 0 | 0 | 112.2 | E50 P51 A57 L58 P138 | E50-T54 PolarHBondContact O-N 2.83Å; E50-T54 PolarHBondContact O-OG1 3.34Å; P51-T54 WeakPolarHBondContact CA-OG1 3.42Å; P51-T54 PolarHBondContact O-OG1 3Å; T54-A57 PolarHBondContact O-N 3.37Å; T54-L58 WeakPolarHBondContact O-CG 3.08Å; T54-L58 PolarHBondContact O-N 3.39Å; T54-P138 HydrophobicContact CG2-CB 3.87Å |
| 55 | R | 75.8 | Confident | 71.7 | Confident | 160 Ų | 160 | 81.6 Ų | 81.6 | 60% | 0.604 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -58 | -52.1 | 173 | -74.4 | 171.3 | -175.9 | 164.7 | 2.2 | 111.9 | P51 Q52 A57 L58 E59 | P51-R55 VanDerWaalsContact O-CG 3.27Å; P51-R55 WeakPolarHBondContact O-CG 3.43Å; P51-R55 PolarHBondContact O-N 2.78Å; Q52-R55 PolarHBondContact O-N 3.37Å; R55-A57 VanDerWaalsContact C-N 3.26Å; R55-A57 PolarHBondContact O-N 3.49Å; R55-L58 WeakPolarHBondContact O-CB 3.5Å; R55-L58 PolarHBondContact O-N 3.49Å; R55-L58 VanDerWaalsContact O-N 3.08Å; R55-E59 WeakPolarHBondContact O-CG 3.48Å; R55-E59 PolarHBondContact O-N 3.24Å |
| 56 | A | 82.1 | Confident | 74.5 | Confident | 54 Ų | 54 | 83.2 Ų | 83.2 | 45% | 0.446 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.1 | -34.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q52 H60 | Q52-A56 PolarHBondContact O-N 3.33Å; A56-H60 VanDerWaalsContact O-CB 3.25Å; A56-H60 WeakPolarHBondContact O-CB 3.5Å; A56-H60 PolarHBondContact O-N 2.72Å |
| 57 | A | 82.2 | Confident | 77.2 | Confident | 44 Ų | 44 | 85.5 Ų | 85.5 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -70 | -37.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | R53 T54 R55 L61 | R53-A57 WeakPolarHBondContact O-CB 3.34Å; R53-A57 PolarHBondContact O-N 2.75Å; T54-A57 PolarHBondContact O-N 3.37Å; R55-A57 VanDerWaalsContact C-N 3.26Å; R55-A57 PolarHBondContact O-N 3.49Å; A57-L61 WeakPolarHBondContact O-CB 3.3Å; A57-L61 PolarHBondContact O-N 2.95Å; A57-L61 VanDerWaalsContact O-N 3.09Å |
| 58 | L | 85.9 | Confident | 79.6 | Confident | 36 Ų | 36 | 81.6 Ų | 81.6 | 19% | 0.188 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.7 | -49.2 | 173.6 | -76.2 | 169.2 | 0 | 0 | 0 | 111.2 | T54 R55 H60 L61 Q62 L130 I133 E134 | T54-L58 WeakPolarHBondContact O-CG 3.08Å; T54-L58 PolarHBondContact O-N 3.39Å; R55-L58 WeakPolarHBondContact O-CB 3.5Å; R55-L58 PolarHBondContact O-N 3.49Å; R55-L58 VanDerWaalsContact O-N 3.08Å; L58-H60 VanDerWaalsContact C-N 3.34Å; L58-H60 PolarHBondContact O-N 3.17Å; L58-L61 CarbonylContact O-C 3.44Å; L58-L61 WeakPolarHBondContact O-CA 3.43Å; L58-L61 PolarHBondContact O-N 3.27Å; L58-Q62 WeakPolarHBondContact O-CG 3.13Å; L58-Q62 PolarHBondContact O-N 3.27Å; L58-L130 HydrophobicContact CD2-CD1 4.43Å; L58-L130 HydrophobicContact CD2-CG 4.42Å; L58-I133 HydrophobicContact CD1-CG2 4.36Å; L58-I133 HydrophobicContact CD2-CB 3.96Å; L58-I133 HydrophobicContact CD2-CG2 3.64Å; L58-I133 HydrophobicContact CG-CG2 3.85Å; L58-E134 HydrophobicContact CD2-CG 3.87Å |
| 59 | E | 87.8 | Confident | 82.1 | Confident | 121 Ų | 121 | 79.5 Ų | 79.5 | 57% | 0.565 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -55.9 | -46.6 | 176.3 | -71.5 | 163 | -163.1 | 0 | 0 | 111.6 | R55 L61 Q62 Q63 | R55-E59 WeakPolarHBondContact O-CG 3.48Å; R55-E59 PolarHBondContact O-N 3.24Å; E59-L61 VanDerWaalsContact C-N 3.29Å; E59-L61 PolarHBondContact O-N 2.85Å; E59-Q62 PolarHBondContact O-N 2.77Å; E59-Q63 WeakPolarHBondContact O-CB 3.21Å; E59-Q63 PolarHBondContact O-N 2.89Å |
| 60 | H | 89.5 | Confident | 84.4 | Confident | 102 Ų | 102 | 81 Ų | 81 | 47% | 0.472 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.7 | -32 | 175.8 | 175.3 | -150.5 | 0 | 0 | 0 | 113 | A56 L58 K64 | A56-H60 VanDerWaalsContact O-CB 3.25Å; A56-H60 WeakPolarHBondContact O-CB 3.5Å; A56-H60 PolarHBondContact O-N 2.72Å; L58-H60 VanDerWaalsContact C-N 3.34Å; L58-H60 PolarHBondContact O-N 3.17Å; H60-K64 PolarHBondContact CE1-NZ 3.05Å; H60-K64 WeakPolarHBondContact NE2-CE 3.38Å; H60-K64 PolarHBondContact NE2-NZ 3.49Å; H60-K64 WeakPolarHBondContact O-CG 3.23Å; H60-K64 PolarHBondContact O-N 3.49Å; H60-K64 VanDerWaalsContact O-N 3.11Å |
| 61 | L | 91.8 | Very high | 86.5 | Confident | 14 Ų | 14 | 81.2 Ų | 81.2 | 7% | 0.073 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -77.8 | -39 | 176.7 | -169.9 | 58.7 | 0 | 0 | 0 | 112 | A57 L58 E59 Q63 K64 I65 Y126 K129 L130 I133 | A57-L61 WeakPolarHBondContact O-CB 3.3Å; A57-L61 PolarHBondContact O-N 2.95Å; A57-L61 VanDerWaalsContact O-N 3.09Å; L58-L61 CarbonylContact O-C 3.44Å; L58-L61 WeakPolarHBondContact O-CA 3.43Å; L58-L61 PolarHBondContact O-N 3.27Å; E59-L61 VanDerWaalsContact C-N 3.29Å; E59-L61 PolarHBondContact O-N 2.85Å; L61-Q63 VanDerWaalsContact C-N 3.34Å; L61-K64 WeakPolarHBondContact O-CB 3.39Å; L61-K64 PolarHBondContact O-N 2.88Å; L61-I65 HydrophobicContact CG-CD1 4.46Å; L61-I65 WeakPolarHBondContact O-CD1 3.35Å; L61-I65 WeakPolarHBondContact O-CG1 3.41Å; L61-I65 PolarHBondContact O-N 2.81Å; L61-Y126 HydrophobicContact CD1-CD1 3.63Å; L61-Y126 HydrophobicContact CD1-CE1 4.4Å; L61-Y126 HydrophobicContact CD1-CG 3.91Å; L61-K129 HydrophobicContact CD2-CB 3.78Å; L61-L130 HydrophobicContact CD2-CB 3.85Å; L61-L130 HydrophobicContact CG-CB 4.38Å; L61-I133 HydrophobicContact CD2-CD1 4.09Å |
| 62 | Q | 92.9 | Very high | 88.3 | Confident | 93 Ų | 93 | 79.5 Ų | 79.5 | 44% | 0.435 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 169.3 | -70.8 | 174 | -12.9 | 0 | 0 | 110.9 | L58 E59 K64 I65 L66 L130 | L58-Q62 WeakPolarHBondContact O-CG 3.13Å; L58-Q62 PolarHBondContact O-N 3.27Å; E59-Q62 PolarHBondContact O-N 2.77Å; Q62-K64 VanDerWaalsContact C-N 3.29Å; Q62-K64 PolarHBondContact O-N 3.36Å; Q62-I65 WeakPolarHBondContact O-CB 3.43Å; Q62-I65 PolarHBondContact O-N 3.19Å; Q62-I65 VanDerWaalsContact O-N 3.13Å; Q62-L66 WeakPolarHBondContact O-CG 3.49Å; Q62-L66 PolarHBondContact O-N 3.44Å; Q62-L130 HydrophobicContact CG-CD1 3.51Å |
| 63 | Q | 96.2 | Very high | 89.9 | Confident | 97 Ų | 97 | 78.5 Ų | 78.5 | 45% | 0.453 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.4 | -35.2 | 175 | -158.1 | -162.6 | 55.2 | 0 | 0 | 112.3 | E59 L61 K67 | E59-Q63 WeakPolarHBondContact O-CB 3.21Å; E59-Q63 PolarHBondContact O-N 2.89Å; L61-Q63 VanDerWaalsContact C-N 3.34Å; Q63-K67 HydrophobicContact CG-CD 4.47Å; Q63-K67 WeakPolarHBondContact O-CB 3.27Å; Q63-K67 VanDerWaalsContact O-CG 3.28Å; Q63-K67 WeakPolarHBondContact O-CG 3.3Å; Q63-K67 PolarHBondContact O-N 2.88Å |
| 64 | K | 94.3 | Very high | 91.2 | Very high | 69 Ų | 69 | 72.3 Ų | 72.3 | 30% | 0.3 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.1 | -35.7 | 173.4 | -82.6 | 170.8 | 173 | 163 | 0 | 113.2 | H60 L61 Q62 V68 Y126 | H60-K64 PolarHBondContact CE1-NZ 3.05Å; H60-K64 WeakPolarHBondContact NE2-CE 3.38Å; H60-K64 PolarHBondContact NE2-NZ 3.49Å; H60-K64 WeakPolarHBondContact O-CG 3.23Å; H60-K64 PolarHBondContact O-N 3.49Å; H60-K64 VanDerWaalsContact O-N 3.11Å; L61-K64 WeakPolarHBondContact O-CB 3.39Å; L61-K64 PolarHBondContact O-N 2.88Å; Q62-K64 VanDerWaalsContact C-N 3.29Å; Q62-K64 PolarHBondContact O-N 3.36Å; K64-V68 WeakPolarHBondContact O-CG2 3.49Å; K64-V68 PolarHBondContact O-N 3.13Å; K64-Y126 HydrophobicContact CB-CD2 3.97Å; K64-Y126 HydrophobicContact CB-CE2 3.8Å; K64-Y126 HydrophobicContact CD-CE1 4.35Å; K64-Y126 HydrophobicContact CG-CE2 4.43Å |
| 65 | I | 95.3 | Very high | 92.3 | Very high | 18 Ų | 18 | 73.1 Ų | 73.1 | 9% | 0.092 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.3 | -54.5 | 173 | -70.2 | 156.8 | 0 | 0 | 0 | 108.9 | L61 Q62 K67 V68 T69 H127 L130 | L61-I65 HydrophobicContact CG-CD1 4.46Å; L61-I65 WeakPolarHBondContact O-CD1 3.35Å; L61-I65 WeakPolarHBondContact O-CG1 3.41Å; L61-I65 PolarHBondContact O-N 2.81Å; Q62-I65 WeakPolarHBondContact O-CB 3.43Å; Q62-I65 PolarHBondContact O-N 3.19Å; Q62-I65 VanDerWaalsContact O-N 3.13Å; I65-K67 VanDerWaalsContact C-N 3.33Å; I65-K67 PolarHBondContact O-N 3.47Å; I65-V68 PolarHBondContact O-N 2.85Å; I65-V68 VanDerWaalsContact O-N 3.08Å; I65-T69 WeakPolarHBondContact O-CB 3.49Å; I65-T69 PolarHBondContact O-N 2.91Å; I65-T69 PolarHBondContact O-OG1 3.11Å; I65-T69 VanDerWaalsContact O-OG1 3.05Å; I65-H127 VanDerWaalsContact CG2-NE2 3.32Å; I65-H127 WeakPolarHBondContact CG2-NE2 3.47Å; I65-L130 HydrophobicContact CD1-CB 4.19Å; I65-L130 HydrophobicContact CD1-CD1 3.84Å; I65-L130 HydrophobicContact CD1-CG 4.49Å |
| 66 | L | 96.4 | Very high | 93.2 | Very high | 124 Ų | 124 | 69 Ų | 69 | 65% | 0.649 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -52.5 | -48.5 | 176.8 | -69.9 | 169.9 | 0 | 0 | 0 | 112.1 | Q62 V68 T69 E70 | Q62-L66 WeakPolarHBondContact O-CG 3.49Å; Q62-L66 PolarHBondContact O-N 3.44Å; L66-V68 PolarHBondContact O-N 2.99Å; L66-T69 PolarHBondContact O-N 2.84Å; L66-E70 WeakPolarHBondContact O-CB 3.41Å; L66-E70 PolarHBondContact O-N 2.99Å |
| 67 | K | 96.5 | Very high | 93.9 | Very high | 125 Ų | 125 | 70.9 Ų | 70.9 | 54% | 0.543 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 177.6 | -77.4 | 171.1 | 175.6 | 170 | 0 | 113.4 | Q63 I65 Q71 | Q63-K67 HydrophobicContact CG-CD 4.47Å; Q63-K67 WeakPolarHBondContact O-CB 3.27Å; Q63-K67 VanDerWaalsContact O-CG 3.28Å; Q63-K67 WeakPolarHBondContact O-CG 3.3Å; Q63-K67 PolarHBondContact O-N 2.88Å; I65-K67 VanDerWaalsContact C-N 3.33Å; I65-K67 PolarHBondContact O-N 3.47Å; K67-Q71 VanDerWaalsContact O-CB 3.3Å; K67-Q71 WeakPolarHBondContact O-CB 3.17Å; K67-Q71 PolarHBondContact O-N 2.96Å |
| 68 | V | 96 | Very high | 94.5 | Very high | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.024 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -76.2 | -36.8 | 177.9 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | K64 I65 L66 Q71 I72 L119 K122 L123 Y126 | K64-V68 WeakPolarHBondContact O-CG2 3.49Å; K64-V68 PolarHBondContact O-N 3.13Å; I65-V68 PolarHBondContact O-N 2.85Å; I65-V68 VanDerWaalsContact O-N 3.08Å; L66-V68 PolarHBondContact O-N 2.99Å; V68-Q71 PolarHBondContact O-N 3.28Å; V68-I72 HydrophobicContact CG1-CD1 4.3Å; V68-I72 WeakPolarHBondContact O-CG1 3.38Å; V68-I72 PolarHBondContact O-N 3.33Å; V68-L119 HydrophobicContact CG1-CB 4.28Å; V68-L119 HydrophobicContact CG1-CD2 4.29Å; V68-L119 WeakPolarHBondContact CG1-O 3.47Å; V68-K122 HydrophobicContact CG2-CD 3.92Å; V68-K122 HydrophobicContact CG2-CG 4.22Å; V68-L123 HydrophobicContact CG1-CB 3.88Å; V68-Y126 HydrophobicContact CG2-CD2 4.2Å; V68-Y126 HydrophobicContact CG2-CE2 3.8Å |
| 69 | T | 96.3 | Very high | 94.9 | Very high | 66 Ų | 66 | 72.8 Ų | 72.8 | 41% | 0.405 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 174.3 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | I65 L66 Q71 I72 R73 L123 | I65-T69 WeakPolarHBondContact O-CB 3.49Å; I65-T69 PolarHBondContact O-N 2.91Å; I65-T69 PolarHBondContact O-OG1 3.11Å; I65-T69 VanDerWaalsContact O-OG1 3.05Å; L66-T69 PolarHBondContact O-N 2.84Å; T69-Q71 VanDerWaalsContact C-N 3.35Å; T69-I72 WeakPolarHBondContact O-CB 3.41Å; T69-I72 PolarHBondContact O-N 3.41Å; T69-R73 PolarHBondContact O-N 2.81Å; T69-L123 WeakPolarHBondContact OG1-CD1 3.33Å |
| 70 | E | 97.5 | Very high | 95.3 | Very high | 59 Ų | 59 | 70.7 Ų | 70.7 | 28% | 0.276 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.4 | -37.2 | 175.1 | -176.4 | 58.4 | -166.4 | 0 | 0 | 111.7 | H18 L66 I72 R73 V74 | H18-E70 IonicContact CD2-OE1 3.82Å; L66-E70 WeakPolarHBondContact O-CB 3.41Å; L66-E70 PolarHBondContact O-N 2.99Å; E70-I72 VanDerWaalsContact C-N 3.29Å; E70-I72 PolarHBondContact O-N 3Å; E70-R73 VanDerWaalsContact CD-NE 3.3Å; E70-R73 WeakPolarHBondContact O-CB 3.43Å; E70-R73 PolarHBondContact O-N 2.86Å; E70-R73 VanDerWaalsContact O-N 3.1Å; E70-R73 IonicContact OE1-CZ 3.35Å; E70-R73 VanDerWaalsContact OE1-CZ 3.27Å; E70-R73 IonicContact OE1-NE 2.76Å; E70-R73 PolarHBondContact OE1-NE 3.13Å; E70-R73 IonicContact OE1-NH2 3.01Å; E70-R73 PolarHBondContact OE1-NH2 2.78Å; E70-R73 WeakPolarHBondContact OE2-CD 3.5Å; E70-R73 IonicContact OE2-CZ 2.99Å; E70-R73 IonicContact OE2-NE 2.7Å; E70-R73 PolarHBondContact OE2-NE 3.24Å; E70-V74 HydrophobicContact CG-CG2 4.47Å; E70-V74 WeakPolarHBondContact O-CG2 3.42Å; E70-V74 PolarHBondContact O-N 3.45Å |
| 71 | Q | 95.8 | Very high | 95.6 | Very high | 97 Ų | 97 | 71 Ų | 71 | 45% | 0.453 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64 | -32.5 | 174.3 | -165.4 | 171.9 | 24.1 | 0 | 0 | 112.7 | K67 V68 T69 E75 L119 | K67-Q71 VanDerWaalsContact O-CB 3.3Å; K67-Q71 WeakPolarHBondContact O-CB 3.17Å; K67-Q71 PolarHBondContact O-N 2.96Å; V68-Q71 PolarHBondContact O-N 3.28Å; T69-Q71 VanDerWaalsContact C-N 3.35Å; Q71-E75 WeakPolarHBondContact O-CB 3.4Å; Q71-E75 PolarHBondContact O-N 2.96Å; Q71-E75 VanDerWaalsContact O-N 3.12Å; Q71-L119 HydrophobicContact CB-CD1 4.34Å; Q71-L119 HydrophobicContact CB-CD2 4.44Å; Q71-L119 HydrophobicContact CG-CD1 3.86Å; Q71-L119 HydrophobicContact CG-CD2 4.08Å |
| 72 | I | 96.6 | Very high | 95.8 | Very high | 17 Ų | 17 | 71.1 Ų | 71.1 | 9% | 0.087 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67 | -46.2 | 169.9 | -67.5 | 165 | 0 | 0 | 0 | 109.8 | V68 T69 E70 V74 E75 Q76 L119 L123 | V68-I72 HydrophobicContact CG1-CD1 4.3Å; V68-I72 WeakPolarHBondContact O-CG1 3.38Å; V68-I72 PolarHBondContact O-N 3.33Å; T69-I72 WeakPolarHBondContact O-CB 3.41Å; T69-I72 PolarHBondContact O-N 3.41Å; E70-I72 VanDerWaalsContact C-N 3.29Å; E70-I72 PolarHBondContact O-N 3Å; I72-V74 PolarHBondContact O-N 3.41Å; I72-E75 PolarHBondContact O-N 2.89Å; I72-Q76 VanDerWaalsContact O-CB 3.28Å; I72-Q76 WeakPolarHBondContact O-CB 3.39Å; I72-Q76 PolarHBondContact O-N 3.03Å; I72-L119 HydrophobicContact CD1-CB 4.02Å; I72-L119 HydrophobicContact CG1-CB 3.47Å; I72-L119 VanDerWaalsContact CG1-CB 3.47Å; I72-L119 HydrophobicContact CG1-CD1 4.1Å; I72-L119 HydrophobicContact CG1-CG 4.4Å; I72-L123 HydrophobicContact CD1-CB 4.41Å; I72-L123 HydrophobicContact CD1-CD1 3.63Å |
| 73 | R | 97.6 | Very high | 95.9 | Very high | 116 Ų | 116 | 68.7 Ų | 68.7 | 44% | 0.438 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56 | -49.2 | 178.9 | -163 | -167.5 | 70.4 | 67.8 | 8.7 | 111.6 | T69 E70 Q76 E77 | T69-R73 PolarHBondContact O-N 2.81Å; E70-R73 VanDerWaalsContact CD-NE 3.3Å; E70-R73 WeakPolarHBondContact O-CB 3.43Å; E70-R73 PolarHBondContact O-N 2.86Å; E70-R73 VanDerWaalsContact O-N 3.1Å; E70-R73 IonicContact OE1-CZ 3.35Å; E70-R73 VanDerWaalsContact OE1-CZ 3.27Å; E70-R73 IonicContact OE1-NE 2.76Å; E70-R73 PolarHBondContact OE1-NE 3.13Å; E70-R73 IonicContact OE1-NH2 3.01Å; E70-R73 PolarHBondContact OE1-NH2 2.78Å; E70-R73 WeakPolarHBondContact OE2-CD 3.5Å; E70-R73 IonicContact OE2-CZ 2.99Å; E70-R73 IonicContact OE2-NE 2.7Å; E70-R73 PolarHBondContact OE2-NE 3.24Å; R73-Q76 WeakPolarHBondContact O-CB 3.45Å; R73-Q76 PolarHBondContact O-N 3.31Å; R73-E77 IonicContact CZ-OE2 3.58Å; R73-E77 IonicContact NH1-OE2 2.73Å; R73-E77 PolarHBondContact NH1-OE2 3.43Å; R73-E77 IonicContact NH2-OE2 3.27Å; R73-E77 WeakPolarHBondContact O-CB 3.45Å; R73-E77 PolarHBondContact O-N 3.39Å |
| 74 | V | 96.9 | Very high | 95.9 | Very high | 63 Ų | 63 | 66.8 Ų | 66.8 | 38% | 0.382 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 179.6 | 173 | 0 | 0 | 0 | 0 | 112.4 | E70 I72 Q76 E77 A78 | E70-V74 HydrophobicContact CG-CG2 4.47Å; E70-V74 WeakPolarHBondContact O-CG2 3.42Å; E70-V74 PolarHBondContact O-N 3.45Å; I72-V74 PolarHBondContact O-N 3.41Å; V74-Q76 VanDerWaalsContact C-N 3.33Å; V74-E77 PolarHBondContact O-N 3.14Å; V74-A78 WeakPolarHBondContact O-CB 3.41Å; V74-A78 PolarHBondContact O-N 3.31Å |
| 75 | E | 95.2 | Very high | 96 | Very high | 56 Ų | 56 | 67.8 Ų | 67.8 | 26% | 0.262 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70 | -31.4 | 176.9 | -174.4 | 74.4 | -147.4 | 0 | 0 | 111.6 | Q71 I72 R79 S112 T115 I116 | Q71-E75 WeakPolarHBondContact O-CB 3.4Å; Q71-E75 PolarHBondContact O-N 2.96Å; Q71-E75 VanDerWaalsContact O-N 3.12Å; I72-E75 PolarHBondContact O-N 2.89Å; E75-R79 WeakPolarHBondContact O-CB 3.31Å; E75-R79 PolarHBondContact O-N 3.11Å; E75-S112 WeakPolarHBondContact OE1-CA 3.27Å; E75-S112 WeakPolarHBondContact OE1-CB 3.47Å; E75-S112 PolarHBondContact OE1-OG 3.13Å; E75-T115 HydrophobicContact CG-CG2 3.99Å; E75-I116 HydrophobicContact CB-CG1 4.15Å; E75-I116 HydrophobicContact CG-CD1 4.09Å; E75-I116 HydrophobicContact CG-CG1 3.57Å |
| 76 | Q | 95.5 | Very high | 96 | Very high | 73 Ų | 73 | 69.7 Ų | 69.7 | 34% | 0.341 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.1 | -47.2 | 173 | -161.4 | 82.6 | 16.4 | 0 | 0 | 111.2 | I72 R73 V74 R79 D80 | I72-Q76 VanDerWaalsContact O-CB 3.28Å; I72-Q76 WeakPolarHBondContact O-CB 3.39Å; I72-Q76 PolarHBondContact O-N 3.03Å; R73-Q76 WeakPolarHBondContact O-CB 3.45Å; R73-Q76 PolarHBondContact O-N 3.31Å; V74-Q76 VanDerWaalsContact C-N 3.33Å; Q76-R79 WeakPolarHBondContact O-CB 3.31Å; Q76-R79 PolarHBondContact O-N 3.03Å; Q76-R79 VanDerWaalsContact O-N 3.14Å; Q76-D80 PolarHBondContact O-N 2.82Å |
| 77 | E | 96 | Very high | 95.9 | Very high | 95 Ų | 95 | 69 Ų | 69 | 44% | 0.444 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.7 | -49.4 | 175.5 | -172.6 | 173.6 | 174.9 | 0 | 0 | 110.9 | R73 V74 R79 D80 D81 | R73-E77 IonicContact CZ-OE2 3.58Å; R73-E77 IonicContact NH1-OE2 2.73Å; R73-E77 PolarHBondContact NH1-OE2 3.43Å; R73-E77 IonicContact NH2-OE2 3.27Å; R73-E77 WeakPolarHBondContact O-CB 3.45Å; R73-E77 PolarHBondContact O-N 3.39Å; V74-E77 PolarHBondContact O-N 3.14Å; E77-R79 PolarHBondContact O-N 2.82Å; E77-D80 PolarHBondContact O-N 3.17Å; E77-D80 VanDerWaalsContact O-N 3.11Å; E77-D81 PolarHBondContact O-N 3.11Å |
| 78 | A | 94.9 | Very high | 95.9 | Very high | 52 Ų | 52 | 70.6 Ų | 70.6 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.1 | -27.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V74 N82 | V74-A78 WeakPolarHBondContact O-CB 3.41Å; V74-A78 PolarHBondContact O-N 3.31Å; A78-N82 WeakPolarHBondContact O-CB 3.29Å; A78-N82 PolarHBondContact O-N 3.39Å |
| 79 | R | 94.3 | Very high | 95.8 | Very high | 68 Ų | 68 | 74.3 Ų | 74.3 | 26% | 0.257 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -74.2 | -41.4 | 174.5 | -163.8 | -162.2 | 74 | 93 | 9.3 | 111.3 | E75 Q76 E77 N82 V83 N109 | E75-R79 WeakPolarHBondContact O-CB 3.31Å; E75-R79 PolarHBondContact O-N 3.11Å; Q76-R79 WeakPolarHBondContact O-CB 3.31Å; Q76-R79 PolarHBondContact O-N 3.03Å; Q76-R79 VanDerWaalsContact O-N 3.14Å; E77-R79 PolarHBondContact O-N 2.82Å; R79-N82 PolarHBondContact O-N 2.86Å; R79-V83 WeakPolarHBondContact O-CG2 3.28Å; R79-V83 PolarHBondContact O-N 3.2Å; R79-N109 PolarHBondContact NH1-OD1 3.15Å; R79-N109 VanDerWaalsContact NH1-OD1 3.11Å |
| 80 | D | 96 | Very high | 95.6 | Very high | 77 Ų | 77 | 72.8 Ų | 72.8 | 41% | 0.412 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -72.8 | -37.1 | -179.7 | -66 | -17.4 | 0 | 0 | 0 | 110.9 | Q76 E77 N82 V83 A84 | Q76-D80 PolarHBondContact O-N 2.82Å; E77-D80 PolarHBondContact O-N 3.17Å; E77-D80 VanDerWaalsContact O-N 3.11Å; D80-N82 VanDerWaalsContact C-N 3.27Å; D80-N82 PolarHBondContact O-N 3.29Å; D80-V83 WeakPolarHBondContact O-CB 3.37Å; D80-V83 PolarHBondContact O-N 2.97Å; D80-V83 VanDerWaalsContact O-N 3.11Å; D80-A84 PolarHBondContact O-N 3.28Å |
| 81 | D | 96.2 | Very high | 95.2 | Very high | 108 Ų | 108 | 77.6 Ų | 77.6 | 58% | 0.578 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -54.7 | -42.5 | 164.6 | -86.3 | -18.5 | 0 | 0 | 0 | 111.9 | E77 V83 A84 E85 | E77-D81 PolarHBondContact O-N 3.11Å; D81-V83 VanDerWaalsContact C-N 3.32Å; D81-V83 PolarHBondContact O-N 3.48Å; D81-A84 PolarHBondContact O-N 3.43Å; D81-E85 WeakPolarHBondContact O-CB 3.35Å; D81-E85 PolarHBondContact O-N 3.34Å |
| 82 | N | 94.6 | Very high | 94.9 | Very high | 16 Ų | 16 | 78.9 Ų | 78.9 | 9% | 0.086 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -71.3 | -26.6 | 178.5 | -172.1 | -123.9 | 0 | 0 | 0 | 113.2 | A78 R79 D80 E85 Y86 K108 | A78-N82 WeakPolarHBondContact O-CB 3.29Å; A78-N82 PolarHBondContact O-N 3.39Å; R79-N82 PolarHBondContact O-N 2.86Å; D80-N82 VanDerWaalsContact C-N 3.27Å; D80-N82 PolarHBondContact O-N 3.29Å; N82-E85 PolarHBondContact ND2-OE2 3.23Å; N82-Y86 VanDerWaalsContact O-CB 3.31Å; N82-Y86 WeakPolarHBondContact O-CB 3.47Å; N82-Y86 PolarHBondContact O-N 2.83Å; N82-K108 VanDerWaalsContact CG-CD 3.49Å; N82-K108 WeakPolarHBondContact ND2-CD 3.38Å; N82-K108 PolarHBondContact ND2-NZ 3.02Å; N82-K108 VanDerWaalsContact ND2-NZ 3.17Å; N82-K108 VanDerWaalsContact OD1-CB 3.28Å; N82-K108 WeakPolarHBondContact OD1-CB 3.19Å; N82-K108 WeakPolarHBondContact OD1-CD 3.43Å |
| 83 | V | 96.7 | Very high | 94.5 | Very high | 42 Ų | 42 | 79.1 Ų | 79.1 | 26% | 0.255 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.6 | -43.4 | 168.2 | 174.8 | 0 | 0 | 0 | 0 | 110.3 | R79 D80 D81 Y86 L87 F105 | R79-V83 WeakPolarHBondContact O-CG2 3.28Å; R79-V83 PolarHBondContact O-N 3.2Å; D80-V83 WeakPolarHBondContact O-CB 3.37Å; D80-V83 PolarHBondContact O-N 2.97Å; D80-V83 VanDerWaalsContact O-N 3.11Å; D81-V83 VanDerWaalsContact C-N 3.32Å; D81-V83 PolarHBondContact O-N 3.48Å; V83-Y86 PolarHBondContact O-N 3.26Å; V83-L87 HydrophobicContact CG1-CD1 4.11Å; V83-L87 HydrophobicContact CG1-CG 4.44Å; V83-L87 WeakPolarHBondContact O-CG 3.47Å; V83-L87 PolarHBondContact O-N 3.17Å; V83-F105 HydrophobicContact CB-CE2 4.43Å; V83-F105 HydrophobicContact CG2-CE2 3.76Å; V83-F105 HydrophobicContact CG2-CZ 4.01Å |
| 84 | A | 96.3 | Very high | 94.3 | Very high | 58 Ų | 58 | 79.3 Ų | 79.3 | 48% | 0.479 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D80 D81 Y86 L87 K88 | D80-A84 PolarHBondContact O-N 3.28Å; D81-A84 PolarHBondContact O-N 3.43Å; A84-Y86 PolarHBondContact O-N 2.93Å; A84-L87 PolarHBondContact O-N 2.87Å; A84-K88 WeakPolarHBondContact O-CB 3.35Å; A84-K88 PolarHBondContact O-N 2.96Å |
| 85 | E | 94.9 | Very high | 93.7 | Very high | 89 Ų | 89 | 85.7 Ų | 85.7 | 42% | 0.416 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -56.5 | -48.4 | 171.9 | -171.2 | -165.5 | -173.5 | 0 | 0 | 110.8 | D81 N82 K88 L89 K108 | D81-E85 WeakPolarHBondContact O-CB 3.35Å; D81-E85 PolarHBondContact O-N 3.34Å; N82-E85 PolarHBondContact ND2-OE2 3.23Å; E85-K88 PolarHBondContact O-N 3.36Å; E85-L89 HydrophobicContact CG-CD1 3.96Å; E85-L89 WeakPolarHBondContact O-CB 3.31Å; E85-L89 VanDerWaalsContact O-CG 3.3Å; E85-L89 WeakPolarHBondContact O-CG 3.14Å; E85-L89 PolarHBondContact O-N 3.39Å; E85-K108 IonicContact OE1-NZ 2.87Å; E85-K108 IonicContact OE2-NZ 3.99Å; E85-K108 PolarHBondContact OE2-NZ 2.83Å |
| 86 | Y | 96.2 | Very high | 93.3 | Very high | 59 Ų | 59 | 90.3 Ų | 90.3 | 23% | 0.231 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 177.7 | 167.8 | -101.3 | 0 | 0 | 0 | 112.4 | N82 V83 A84 K88 L89 A90 I101 K102 F105 | N82-Y86 VanDerWaalsContact O-CB 3.31Å; N82-Y86 WeakPolarHBondContact O-CB 3.47Å; N82-Y86 PolarHBondContact O-N 2.83Å; V83-Y86 PolarHBondContact O-N 3.26Å; A84-Y86 PolarHBondContact O-N 2.93Å; Y86-K88 PolarHBondContact O-N 3.39Å; Y86-L89 PolarHBondContact O-N 2.93Å; Y86-A90 HydrophobicContact CE2-CB 4.3Å; Y86-A90 WeakPolarHBondContact O-CB 3.14Å; Y86-A90 PolarHBondContact O-N 3.28Å; Y86-I101 HydrophobicContact CD2-CG2 3.82Å; Y86-I101 HydrophobicContact CE2-CG2 4.15Å; Y86-K102 HydrophobicContact CE2-CB 4.21Å; Y86-F105 HydrophobicContact CD1-CD1 4.34Å; Y86-F105 HydrophobicContact CD1-CD2 4.45Å; Y86-F105 HydrophobicContact CD1-CE1 4.48Å; Y86-F105 HydrophobicContact CD1-CG 4.32Å; Y86-F105 HydrophobicContact CD2-CB 3.49Å; Y86-F105 VanDerWaalsContact CD2-CB 3.49Å; Y86-F105 HydrophobicContact CD2-CD1 4.03Å; Y86-F105 HydrophobicContact CD2-CD2 4.25Å; Y86-F105 AromaticContact CD2-CG 3.65Å; Y86-F105 HydrophobicContact CD2-CG 3.65Å; Y86-F105 HydrophobicContact CE2-CB 4.18Å; Y86-F105 HydrophobicContact CE2-CD1 4.28Å; Y86-F105 HydrophobicContact CE2-CG 4.31Å; Y86-F105 HydrophobicContact CG-CB 3.97Å; Y86-F105 HydrophobicContact CG-CD1 4.07Å; Y86-F105 AromaticContact CG-CD2 3.82Å; Y86-F105 HydrophobicContact CG-CD2 3.82Å; Y86-F105 HydrophobicContact CG-CE2 4.36Å; Y86-F105 AromaticContact CG-CG 3.66Å; Y86-F105 HydrophobicContact CG-CG 3.66Å |
| 87 | L | 95.1 | Very high | 93 | Very high | 108 Ų | 108 | 91.6 Ų | 91.6 | 57% | 0.565 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.6 | -42.8 | 179.7 | -70.1 | 172.7 | 0 | 0 | 0 | 111.5 | V83 A84 H91 | V83-L87 HydrophobicContact CG1-CD1 4.11Å; V83-L87 HydrophobicContact CG1-CG 4.44Å; V83-L87 WeakPolarHBondContact O-CG 3.47Å; V83-L87 PolarHBondContact O-N 3.17Å; A84-L87 PolarHBondContact O-N 2.87Å; L87-H91 WeakPolarHBondContact O-CB 3.34Å; L87-H91 PolarHBondContact O-N 3.49Å |
| 88 | K | 95.1 | Very high | 92.8 | Very high | 159 Ų | 159 | 88.6 Ų | 88.6 | 69% | 0.691 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64.3 | -42.5 | 177.6 | -174.8 | 177.2 | -178.6 | 177.6 | 0 | 112.5 | A84 E85 Y86 N92 | A84-K88 WeakPolarHBondContact O-CB 3.35Å; A84-K88 PolarHBondContact O-N 2.96Å; E85-K88 PolarHBondContact O-N 3.36Å; Y86-K88 PolarHBondContact O-N 3.39Å; K88-N92 PolarHBondContact O-ND2 3.4Å |
| 89 | L | 94.1 | Very high | 92.6 | Very high | 83 Ų | 83 | 90 Ų | 90 | 44% | 0.435 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71.2 | -43.1 | 177.2 | -70.2 | 175 | 0 | 0 | 0 | 111.6 | E85 Y86 H91 N92 A93 I101 | E85-L89 HydrophobicContact CG-CD1 3.96Å; E85-L89 WeakPolarHBondContact O-CB 3.31Å; E85-L89 VanDerWaalsContact O-CG 3.3Å; E85-L89 WeakPolarHBondContact O-CG 3.14Å; E85-L89 PolarHBondContact O-N 3.39Å; Y86-L89 PolarHBondContact O-N 2.93Å; L89-H91 VanDerWaalsContact C-N 3.32Å; L89-H91 PolarHBondContact O-N 2.91Å; L89-N92 PolarHBondContact O-N 3.37Å; L89-A93 WeakPolarHBondContact O-CB 3.3Å; L89-A93 PolarHBondContact O-N 3.48Å; L89-I101 HydrophobicContact CB-CD1 4.12Å; L89-I101 HydrophobicContact CB-CG2 3.96Å |
| 90 | A | 92.1 | Very high | 92.6 | Very high | 33 Ų | 33 | 95 Ų | 95 | 27% | 0.273 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.2 | -32.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y86 N92 | Y86-A90 HydrophobicContact CE2-CB 4.3Å; Y86-A90 WeakPolarHBondContact O-CB 3.14Å; Y86-A90 PolarHBondContact O-N 3.28Å; A90-N92 VanDerWaalsContact C-N 3.28Å; A90-N92 PolarHBondContact O-N 3Å |
| 91 | H | 89.8 | Confident | 92.5 | Very high | 160 Ų | 160 | 93 Ų | 93 | 74% | 0.741 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.3 | -30.9 | 176.8 | -174.7 | 63.9 | 0 | 0 | 0 | 113.4 | L87 L89 | L87-H91 WeakPolarHBondContact O-CB 3.34Å; L87-H91 PolarHBondContact O-N 3.49Å; L89-H91 VanDerWaalsContact C-N 3.32Å; L89-H91 PolarHBondContact O-N 2.91Å |
| 92 | N | 89 | Confident | 92.4 | Very high | 124 Ų | 124 | 93 Ų | 93 | 66% | 0.663 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | 10.2 | -173.5 | -63 | -74.4 | 0 | 0 | 0 | 113.6 | K88 L89 A90 | K88-N92 PolarHBondContact O-ND2 3.4Å; L89-N92 PolarHBondContact O-N 3.37Å; A90-N92 VanDerWaalsContact C-N 3.28Å; A90-N92 PolarHBondContact O-N 3Å |
| 93 | A | 88.7 | Confident | 92.4 | Very high | 22 Ų | 22 | 99.2 Ų | 99.2 | 18% | 0.182 | 50% | 0.497 | C | S | . | . | trans | -110.4 | 137.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L89 Q97 A98 I101 | L89-A93 WeakPolarHBondContact O-CB 3.3Å; L89-A93 PolarHBondContact O-N 3.48Å; A93-Q97 HydrophobicContact CB-CB 3.94Å; A93-A98 HydrophobicContact CB-CB 4.41Å; A93-I101 HydrophobicContact CB-CD1 3.41Å; A93-I101 VanDerWaalsContact CB-CD1 3.41Å | ||
| 94 | D | 92.4 | Very high | 92.4 | Very high | 120 Ų | 120 | 101.3 Ų | 101.3 | 64% | 0.642 | 51% | 0.509 | S | S | * | . | trans | -64.6 | 158.3 | 172.2 | -75.9 | -48.5 | 0 | 0 | 0 | 112.8 | Q96 Q97 A98 | D94-Q96 PolarHBondContact O-N 2.99Å; D94-Q97 CarbonylContact O-C 3.59Å; D94-Q97 WeakPolarHBondContact O-CA 3.37Å; D94-Q97 WeakPolarHBondContact O-CB 3.38Å; D94-Q97 PolarHBondContact O-N 3.41Å; D94-A98 PolarHBondContact O-N 2.82Å | ||
| 95 | K | 85.2 | Confident | 92.4 | Very high | 198 Ų | 198 | 100 Ų | 100 | 86% | 0.861 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -47.3 | -39.4 | -176.1 | -69.4 | -179 | 178.4 | 176.6 | 0 | 114.9 | ||
| 96 | Q | 86.6 | Confident | 92.5 | Very high | 152 Ų | 152 | 100.5 Ų | 100.5 | 71% | 0.71 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -78.7 | -33.7 | 177.5 | -67.7 | -164.9 | 1 | 0 | 0 | 113.3 | D94 R100 | D94-Q96 PolarHBondContact O-N 2.99Å; Q96-R100 PolarHBondContact O-N 3.43Å |
| 97 | Q | 89.2 | Confident | 92.5 | Very high | 101 Ų | 101 | 105.4 Ų | 105.4 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.6 | -44.9 | 175.3 | -67.9 | 175.5 | -12.3 | 0 | 0 | 110.5 | A93 D94 S99 R100 I101 | A93-Q97 HydrophobicContact CB-CB 3.94Å; D94-Q97 CarbonylContact O-C 3.59Å; D94-Q97 WeakPolarHBondContact O-CA 3.37Å; D94-Q97 WeakPolarHBondContact O-CB 3.38Å; D94-Q97 PolarHBondContact O-N 3.41Å; Q97-S99 PolarHBondContact O-N 2.9Å; Q97-R100 PolarHBondContact O-N 2.82Å; Q97-I101 HydrophobicContact CB-CD1 4.26Å; Q97-I101 WeakPolarHBondContact O-CD1 3.29Å; Q97-I101 VanDerWaalsContact O-CG1 3.3Å; Q97-I101 WeakPolarHBondContact O-CG1 3.45Å; Q97-I101 PolarHBondContact O-N 2.75Å |
| 98 | A | 90.6 | Very high | 92.5 | Very high | 32 Ų | 32 | 104.7 Ų | 104.7 | 26% | 0.264 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -54.6 | -39 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A93 D94 K102 | A93-A98 HydrophobicContact CB-CB 4.41Å; D94-A98 PolarHBondContact O-N 2.82Å; A98-K102 WeakPolarHBondContact O-CB 3.37Å; A98-K102 PolarHBondContact O-N 2.93Å |
| 99 | S | 91.8 | Very high | 92.5 | Very high | 81 Ų | 81 | 98.9 Ų | 98.9 | 57% | 0.566 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.2 | -44 | 174 | 178.8 | 0 | 0 | 0 | 0 | 112.8 | Q97 Q103 | Q97-S99 PolarHBondContact O-N 2.9Å; S99-Q103 PolarHBondContact O-N 2.81Å; S99-Q103 VanDerWaalsContact O-N 3.11Å |
| 100 | R | 93.5 | Very high | 92.6 | Very high | 172 Ų | 172 | 101 Ų | 101 | 65% | 0.649 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.9 | -43.1 | 177.2 | -64.3 | 177.8 | -176.8 | 176.9 | 2.4 | 111.9 | Q96 Q97 K102 Q103 V104 | Q96-R100 PolarHBondContact O-N 3.43Å; Q97-R100 PolarHBondContact O-N 2.82Å; R100-K102 VanDerWaalsContact C-N 3.35Å; R100-K102 PolarHBondContact O-N 3.12Å; R100-Q103 PolarHBondContact O-N 2.88Å; R100-V104 WeakPolarHBondContact O-CG2 3.27Å; R100-V104 PolarHBondContact O-N 3.13Å |
| 101 | I | 94.4 | Very high | 92.8 | Very high | 35 Ų | 35 | 106.6 Ų | 106.6 | 18% | 0.179 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -59 | -46.9 | 176.6 | -68.6 | 159.8 | 0 | 0 | 0 | 110 | Y86 L89 A93 Q97 Q103 V104 F105 | Y86-I101 HydrophobicContact CD2-CG2 3.82Å; Y86-I101 HydrophobicContact CE2-CG2 4.15Å; L89-I101 HydrophobicContact CB-CD1 4.12Å; L89-I101 HydrophobicContact CB-CG2 3.96Å; A93-I101 HydrophobicContact CB-CD1 3.41Å; A93-I101 VanDerWaalsContact CB-CD1 3.41Å; Q97-I101 HydrophobicContact CB-CD1 4.26Å; Q97-I101 WeakPolarHBondContact O-CD1 3.29Å; Q97-I101 VanDerWaalsContact O-CG1 3.3Å; Q97-I101 WeakPolarHBondContact O-CG1 3.45Å; Q97-I101 PolarHBondContact O-N 2.75Å; I101-Q103 PolarHBondContact O-N 2.95Å; I101-V104 PolarHBondContact O-N 3.42Å; I101-F105 PolarHBondContact O-N 2.83Å |
| 102 | K | 94.8 | Very high | 93 | Very high | 108 Ų | 108 | 99.4 Ų | 99.4 | 47% | 0.47 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.5 | -46.4 | 174.1 | -176 | 179.6 | 176.3 | -177.5 | 0 | 111.9 | Y86 A98 R100 V104 F105 E106 | Y86-K102 HydrophobicContact CE2-CB 4.21Å; A98-K102 WeakPolarHBondContact O-CB 3.37Å; A98-K102 PolarHBondContact O-N 2.93Å; R100-K102 VanDerWaalsContact C-N 3.35Å; R100-K102 PolarHBondContact O-N 3.12Å; K102-V104 VanDerWaalsContact C-N 3.31Å; K102-V104 PolarHBondContact O-N 3.48Å; K102-F105 PolarHBondContact O-N 3.5Å; K102-E106 WeakPolarHBondContact CE-OE2 3.39Å; K102-E106 IonicContact NZ-OE2 3.5Å; K102-E106 WeakPolarHBondContact O-CB 3.48Å; K102-E106 PolarHBondContact O-N 3.26Å |
| 103 | Q | 94.8 | Very high | 93.3 | Very high | 147 Ų | 147 | 95.9 Ų | 95.9 | 69% | 0.687 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.5 | -36.4 | -179.3 | -166.5 | 179.7 | 19.1 | 0 | 0 | 112.9 | S99 R100 I101 K107 | S99-Q103 PolarHBondContact O-N 2.81Å; S99-Q103 VanDerWaalsContact O-N 3.11Å; R100-Q103 PolarHBondContact O-N 2.88Å; I101-Q103 PolarHBondContact O-N 2.95Å; Q103-K107 WeakPolarHBondContact O-CB 3.36Å; Q103-K107 PolarHBondContact O-N 3.24Å |
| 104 | V | 95.5 | Very high | 93.7 | Very high | 86 Ų | 86 | 100.9 Ų | 100.9 | 52% | 0.521 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.8 | -44.8 | 174.8 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | R100 I101 K102 K107 K108 | R100-V104 WeakPolarHBondContact O-CG2 3.27Å; R100-V104 PolarHBondContact O-N 3.13Å; I101-V104 PolarHBondContact O-N 3.42Å; K102-V104 VanDerWaalsContact C-N 3.31Å; K102-V104 PolarHBondContact O-N 3.48Å; V104-K107 PolarHBondContact O-N 2.89Å; V104-K108 PolarHBondContact O-N 3.26Å |
| 105 | F | 96.8 | Very high | 93.9 | Very high | 32 Ų | 32 | 97.1 Ų | 97.1 | 14% | 0.14 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -59.7 | -50.3 | 175.6 | 168.5 | -102.8 | 0 | 0 | 0 | 112 | V83 Y86 I101 K102 K107 K108 N109 | V83-F105 HydrophobicContact CB-CE2 4.43Å; V83-F105 HydrophobicContact CG2-CE2 3.76Å; V83-F105 HydrophobicContact CG2-CZ 4.01Å; Y86-F105 HydrophobicContact CD1-CD1 4.34Å; Y86-F105 HydrophobicContact CD1-CD2 4.45Å; Y86-F105 HydrophobicContact CD1-CE1 4.48Å; Y86-F105 HydrophobicContact CD1-CG 4.32Å; Y86-F105 HydrophobicContact CD2-CB 3.49Å; Y86-F105 VanDerWaalsContact CD2-CB 3.49Å; Y86-F105 HydrophobicContact CD2-CD1 4.03Å; Y86-F105 HydrophobicContact CD2-CD2 4.25Å; Y86-F105 AromaticContact CD2-CG 3.65Å; Y86-F105 HydrophobicContact CD2-CG 3.65Å; Y86-F105 HydrophobicContact CE2-CB 4.18Å; Y86-F105 HydrophobicContact CE2-CD1 4.28Å; Y86-F105 HydrophobicContact CE2-CG 4.31Å; Y86-F105 HydrophobicContact CG-CB 3.97Å; Y86-F105 HydrophobicContact CG-CD1 4.07Å; Y86-F105 AromaticContact CG-CD2 3.82Å; Y86-F105 HydrophobicContact CG-CD2 3.82Å; Y86-F105 HydrophobicContact CG-CE2 4.36Å; Y86-F105 AromaticContact CG-CG 3.66Å; Y86-F105 HydrophobicContact CG-CG 3.66Å; I101-F105 PolarHBondContact O-N 2.83Å; K102-F105 PolarHBondContact O-N 3.5Å; F105-K107 PolarHBondContact O-N 3.44Å; F105-K108 PolarHBondContact O-N 3.47Å; F105-K108 VanDerWaalsContact O-N 3.1Å; F105-N109 HydrophobicContact CE1-CB 4.48Å; F105-N109 HydrophobicContact CE2-CB 4.18Å; F105-N109 HydrophobicContact CZ-CB 4.11Å; F105-N109 WeakPolarHBondContact O-CB 3.31Å; F105-N109 PolarHBondContact O-N 3.21Å |
| 106 | E | 96.2 | Very high | 94.3 | Very high | 99 Ų | 99 | 88.5 Ų | 88.5 | 46% | 0.463 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -54.2 | -43.4 | 179.2 | -157.6 | 95.2 | -123.3 | 0 | 0 | 110.7 | K102 Q110 | K102-E106 WeakPolarHBondContact CE-OE2 3.39Å; K102-E106 IonicContact NZ-OE2 3.5Å; K102-E106 WeakPolarHBondContact O-CB 3.48Å; K102-E106 PolarHBondContact O-N 3.26Å; E106-Q110 WeakPolarHBondContact O-CB 3.49Å; E106-Q110 PolarHBondContact O-N 3.45Å |
| 107 | K | 96.7 | Very high | 94.8 | Very high | 162 Ų | 162 | 84.1 Ų | 84.1 | 70% | 0.704 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -68.7 | -41.9 | 177.4 | -172.2 | 178.6 | -179.2 | -179.2 | 0 | 113.2 | Q103 V104 F105 K111 | Q103-K107 WeakPolarHBondContact O-CB 3.36Å; Q103-K107 PolarHBondContact O-N 3.24Å; V104-K107 PolarHBondContact O-N 2.89Å; F105-K107 PolarHBondContact O-N 3.44Å; K107-K111 WeakPolarHBondContact O-CB 3.33Å; K107-K111 PolarHBondContact O-N 2.81Å; K107-K111 VanDerWaalsContact O-N 3.15Å |
| 108 | K | 95 | Very high | 95.2 | Very high | 92 Ų | 92 | 85.2 Ų | 85.2 | 40% | 0.4 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.7 | -50.9 | 175.6 | -79.2 | -174.9 | 177.7 | -173.1 | 0 | 110.7 | N82 E85 V104 F105 Q110 K111 S112 | N82-K108 VanDerWaalsContact CG-CD 3.49Å; N82-K108 WeakPolarHBondContact ND2-CD 3.38Å; N82-K108 PolarHBondContact ND2-NZ 3.02Å; N82-K108 VanDerWaalsContact ND2-NZ 3.17Å; N82-K108 VanDerWaalsContact OD1-CB 3.28Å; N82-K108 WeakPolarHBondContact OD1-CB 3.19Å; N82-K108 WeakPolarHBondContact OD1-CD 3.43Å; E85-K108 IonicContact OE1-NZ 2.87Å; E85-K108 IonicContact OE2-NZ 3.99Å; E85-K108 PolarHBondContact OE2-NZ 2.83Å; V104-K108 PolarHBondContact O-N 3.26Å; F105-K108 PolarHBondContact O-N 3.47Å; F105-K108 VanDerWaalsContact O-N 3.1Å; K108-Q110 PolarHBondContact O-N 2.91Å; K108-K111 PolarHBondContact O-N 2.91Å; K108-S112 PolarHBondContact O-N 3.28Å |
| 109 | N | 95.8 | Very high | 95.5 | Very high | 38 Ų | 38 | 83.9 Ų | 83.9 | 20% | 0.203 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 179.4 | -177.9 | 52.3 | 0 | 0 | 0 | 112 | R79 F105 S112 A113 | R79-N109 PolarHBondContact NH1-OD1 3.15Å; R79-N109 VanDerWaalsContact NH1-OD1 3.11Å; F105-N109 HydrophobicContact CE1-CB 4.48Å; F105-N109 HydrophobicContact CE2-CB 4.18Å; F105-N109 HydrophobicContact CZ-CB 4.11Å; F105-N109 WeakPolarHBondContact O-CB 3.31Å; F105-N109 PolarHBondContact O-N 3.21Å; N109-S112 PolarHBondContact O-N 3.2Å; N109-A113 VanDerWaalsContact O-CB 3.29Å; N109-A113 WeakPolarHBondContact O-CB 3.28Å; N109-A113 PolarHBondContact O-N 3.37Å |
| 110 | Q | 96.3 | Very high | 95.8 | Very high | 126 Ų | 126 | 84 Ų | 84 | 59% | 0.589 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.9 | -39.3 | 175.7 | -172.2 | 174.6 | 50.8 | 0 | 0 | 112.4 | E106 K108 Q114 | E106-Q110 WeakPolarHBondContact O-CB 3.49Å; E106-Q110 PolarHBondContact O-N 3.45Å; K108-Q110 PolarHBondContact O-N 2.91Å; Q110-Q114 WeakPolarHBondContact O-CG 3.42Å; Q110-Q114 PolarHBondContact O-N 3.22Å; Q110-Q114 VanDerWaalsContact O-N 3.17Å |
| 111 | K | 95.3 | Very high | 95.9 | Very high | 152 Ų | 152 | 83 Ų | 83 | 66% | 0.661 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.6 | -48.8 | 174.3 | -173.3 | -169.8 | 174.9 | -164.7 | 0 | 111 | K107 K108 A113 Q114 T115 | K107-K111 WeakPolarHBondContact O-CB 3.33Å; K107-K111 PolarHBondContact O-N 2.81Å; K107-K111 VanDerWaalsContact O-N 3.15Å; K108-K111 PolarHBondContact O-N 2.91Å; K111-A113 PolarHBondContact O-N 3.1Å; K111-Q114 WeakPolarHBondContact O-CB 3.45Å; K111-Q114 PolarHBondContact O-N 3.46Å; K111-T115 PolarHBondContact O-N 2.78Å; K111-T115 PolarHBondContact O-OG1 2.95Å; K111-T115 VanDerWaalsContact O-OG1 3.12Å |
| 112 | S | 94.8 | Very high | 96 | Very high | 9 Ų | 9 | 84.7 Ų | 84.7 | 6% | 0.063 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.2 | -45 | -180 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | E75 K108 N109 Q114 T115 I116 | E75-S112 WeakPolarHBondContact OE1-CA 3.27Å; E75-S112 WeakPolarHBondContact OE1-CB 3.47Å; E75-S112 PolarHBondContact OE1-OG 3.13Å; K108-S112 PolarHBondContact O-N 3.28Å; N109-S112 PolarHBondContact O-N 3.2Å; S112-Q114 VanDerWaalsContact C-N 3.29Å; S112-Q114 PolarHBondContact O-N 2.93Å; S112-T115 WeakPolarHBondContact O-CB 3.36Å; S112-T115 PolarHBondContact O-N 3.41Å; S112-I116 WeakPolarHBondContact O-CB 3.38Å; S112-I116 VanDerWaalsContact O-CG1 3.31Å; S112-I116 WeakPolarHBondContact O-CG1 3.14Å; S112-I116 PolarHBondContact O-N 3.03Å |
| 113 | A | 94.8 | Very high | 96.1 | Very high | 49 Ų | 49 | 80.7 Ų | 80.7 | 41% | 0.405 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.3 | -37.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N109 K111 A117 | N109-A113 VanDerWaalsContact O-CB 3.29Å; N109-A113 WeakPolarHBondContact O-CB 3.28Å; N109-A113 PolarHBondContact O-N 3.37Å; K111-A113 PolarHBondContact O-N 3.1Å; A113-A117 VanDerWaalsContact O-CB 3.31Å; A113-A117 WeakPolarHBondContact O-CB 3.22Å; A113-A117 PolarHBondContact O-N 2.83Å |
| 114 | Q | 96.6 | Very high | 96.2 | Very high | 127 Ų | 127 | 79.7 Ų | 79.7 | 59% | 0.593 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -68.2 | -41.5 | 173.3 | -72.4 | 174.1 | 4.7 | 0 | 0 | 112.3 | Q110 K111 S112 H118 | Q110-Q114 WeakPolarHBondContact O-CG 3.42Å; Q110-Q114 PolarHBondContact O-N 3.22Å; Q110-Q114 VanDerWaalsContact O-N 3.17Å; K111-Q114 WeakPolarHBondContact O-CB 3.45Å; K111-Q114 PolarHBondContact O-N 3.46Å; S112-Q114 VanDerWaalsContact C-N 3.29Å; S112-Q114 PolarHBondContact O-N 2.93Å; Q114-H118 WeakPolarHBondContact O-CB 3.45Å; Q114-H118 PolarHBondContact O-N 3.11Å |
| 115 | T | 96.3 | Very high | 96.1 | Very high | 41 Ų | 41 | 80.9 Ų | 80.9 | 25% | 0.252 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60 | -51.2 | 174.6 | -54.6 | 0 | 0 | 0 | 0 | 110.9 | E75 K111 S112 A117 H118 L119 | E75-T115 HydrophobicContact CG-CG2 3.99Å; K111-T115 PolarHBondContact O-N 2.78Å; K111-T115 PolarHBondContact O-OG1 2.95Å; K111-T115 VanDerWaalsContact O-OG1 3.12Å; S112-T115 WeakPolarHBondContact O-CB 3.36Å; S112-T115 PolarHBondContact O-N 3.41Å; T115-A117 PolarHBondContact O-N 3.45Å; T115-H118 PolarHBondContact O-N 3.39Å; T115-H118 VanDerWaalsContact O-N 3.16Å; T115-L119 HydrophobicContact CG2-CD1 3.98Å; T115-L119 HydrophobicContact CG2-CG 4.38Å; T115-L119 WeakPolarHBondContact O-CG 3.42Å; T115-L119 PolarHBondContact O-N 3.01Å |
| 116 | I | 94.8 | Very high | 96.1 | Very high | 18 Ų | 18 | 81.2 Ų | 81.2 | 9% | 0.092 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57.2 | -49.7 | 178.7 | -68.6 | 162.7 | 0 | 0 | 0 | 110.2 | E75 S112 H118 L119 H120 | E75-I116 HydrophobicContact CB-CG1 4.15Å; E75-I116 HydrophobicContact CG-CD1 4.09Å; E75-I116 HydrophobicContact CG-CG1 3.57Å; S112-I116 WeakPolarHBondContact O-CB 3.38Å; S112-I116 VanDerWaalsContact O-CG1 3.31Å; S112-I116 WeakPolarHBondContact O-CG1 3.14Å; S112-I116 PolarHBondContact O-N 3.03Å; I116-H118 VanDerWaalsContact C-N 3.32Å; I116-H118 PolarHBondContact O-N 3.02Å; I116-L119 PolarHBondContact O-N 3.4Å; I116-L119 VanDerWaalsContact O-N 3.13Å; I116-H120 PolarHBondContact O-CD2 3.32Å; I116-H120 VanDerWaalsContact O-CD2 3.24Å; I116-H120 PolarHBondContact O-N 2.85Å |
| 117 | A | 96.9 | Very high | 95.9 | Very high | 60 Ų | 60 | 80.7 Ų | 80.7 | 50% | 0.496 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.5 | -38.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A113 T115 K121 | A113-A117 VanDerWaalsContact O-CB 3.31Å; A113-A117 WeakPolarHBondContact O-CB 3.22Å; A113-A117 PolarHBondContact O-N 2.83Å; T115-A117 PolarHBondContact O-N 3.45Å; A117-K121 PolarHBondContact O-N 2.88Å; A117-K121 VanDerWaalsContact O-N 3.13Å |
| 118 | H | 97.3 | Very high | 95.7 | Very high | 123 Ų | 123 | 78.9 Ų | 78.9 | 57% | 0.569 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -68 | -39.7 | 174.8 | 175.3 | -95.7 | 0 | 0 | 0 | 112.4 | Q114 T115 I116 K121 K122 | Q114-H118 WeakPolarHBondContact O-CB 3.45Å; Q114-H118 PolarHBondContact O-N 3.11Å; T115-H118 PolarHBondContact O-N 3.39Å; T115-H118 VanDerWaalsContact O-N 3.16Å; I116-H118 VanDerWaalsContact C-N 3.32Å; I116-H118 PolarHBondContact O-N 3.02Å; H118-K121 PolarHBondContact O-N 2.96Å; H118-K122 WeakPolarHBondContact O-CB 3.37Å; H118-K122 PolarHBondContact O-N 3.35Å |
| 119 | L | 97.6 | Very high | 95.4 | Very high | 5 Ų | 5 | 78.5 Ų | 78.5 | 3% | 0.026 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 176.2 | -68.6 | 170.7 | 0 | 0 | 0 | 111.8 | V68 Q71 I72 T115 I116 K121 K122 L123 | V68-L119 HydrophobicContact CG1-CB 4.28Å; V68-L119 HydrophobicContact CG1-CD2 4.29Å; V68-L119 WeakPolarHBondContact CG1-O 3.47Å; Q71-L119 HydrophobicContact CB-CD1 4.34Å; Q71-L119 HydrophobicContact CB-CD2 4.44Å; Q71-L119 HydrophobicContact CG-CD1 3.86Å; Q71-L119 HydrophobicContact CG-CD2 4.08Å; I72-L119 HydrophobicContact CD1-CB 4.02Å; I72-L119 HydrophobicContact CG1-CB 3.47Å; I72-L119 VanDerWaalsContact CG1-CB 3.47Å; I72-L119 HydrophobicContact CG1-CD1 4.1Å; I72-L119 HydrophobicContact CG1-CG 4.4Å; T115-L119 HydrophobicContact CG2-CD1 3.98Å; T115-L119 HydrophobicContact CG2-CG 4.38Å; T115-L119 WeakPolarHBondContact O-CG 3.42Å; T115-L119 PolarHBondContact O-N 3.01Å; I116-L119 PolarHBondContact O-N 3.4Å; I116-L119 VanDerWaalsContact O-N 3.13Å; L119-K121 PolarHBondContact O-N 2.79Å; L119-K122 WeakPolarHBondContact O-CB 3.34Å; L119-K122 PolarHBondContact O-N 2.76Å; L119-K122 VanDerWaalsContact O-N 3.12Å; L119-L123 WeakPolarHBondContact O-CB 3.43Å; L119-L123 PolarHBondContact O-N 2.95Å |
| 120 | H | 97.1 | Very high | 95 | Very high | 83 Ų | 83 | 77.8 Ų | 77.8 | 38% | 0.384 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.1 | -47.2 | 172.5 | -82.8 | -76.2 | 0 | 0 | 0 | 111.7 | I116 K122 L123 E124 | I116-H120 PolarHBondContact O-CD2 3.32Å; I116-H120 VanDerWaalsContact O-CD2 3.24Å; I116-H120 PolarHBondContact O-N 2.85Å; H120-K122 VanDerWaalsContact C-N 3.26Å; H120-K122 PolarHBondContact O-N 2.99Å; H120-L123 WeakPolarHBondContact O-CB 3.42Å; H120-L123 PolarHBondContact O-N 3.09Å; H120-L123 VanDerWaalsContact O-N 3.12Å; H120-E124 WeakPolarHBondContact O-CG 3.48Å; H120-E124 PolarHBondContact O-N 3.01Å |
| 121 | K | 97.4 | Very high | 94.6 | Very high | 150 Ų | 150 | 78.2 Ų | 78.2 | 65% | 0.652 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.8 | -34.2 | 176.3 | -171.4 | 174.8 | -176.3 | 175.4 | 0 | 112.9 | A117 H118 L119 H125 | A117-K121 PolarHBondContact O-N 2.88Å; A117-K121 VanDerWaalsContact O-N 3.13Å; H118-K121 PolarHBondContact O-N 2.96Å; L119-K121 PolarHBondContact O-N 2.79Å; K121-H125 WeakPolarHBondContact O-CB 3.4Å; K121-H125 PolarHBondContact O-N 3.01Å; K121-H125 VanDerWaalsContact O-N 3.09Å |
| 122 | K | 96.4 | Very high | 94.1 | Very high | 72 Ų | 72 | 74.5 Ų | 74.5 | 31% | 0.313 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -72.1 | -37.8 | 175.3 | -174.6 | -179.8 | 175.5 | -170.3 | 0 | 112 | V68 H118 L119 H120 H125 Y126 | V68-K122 HydrophobicContact CG2-CD 3.92Å; V68-K122 HydrophobicContact CG2-CG 4.22Å; H118-K122 WeakPolarHBondContact O-CB 3.37Å; H118-K122 PolarHBondContact O-N 3.35Å; L119-K122 WeakPolarHBondContact O-CB 3.34Å; L119-K122 PolarHBondContact O-N 2.76Å; L119-K122 VanDerWaalsContact O-N 3.12Å; H120-K122 VanDerWaalsContact C-N 3.26Å; H120-K122 PolarHBondContact O-N 2.99Å; K122-H125 PolarHBondContact O-N 2.92Å; K122-Y126 HydrophobicContact CD-CE2 4.35Å; K122-Y126 VanDerWaalsContact CE-OH 3.25Å; K122-Y126 WeakPolarHBondContact CE-OH 3.44Å; K122-Y126 HydrophobicContact CG-CD2 4.36Å; K122-Y126 HydrophobicContact CG-CE2 3.84Å; K122-Y126 WeakPolarHBondContact O-CD2 3.47Å; K122-Y126 PolarHBondContact O-N 3.03Å |
| 123 | L | 96.1 | Very high | 93.5 | Very high | 24 Ų | 24 | 76.8 Ų | 76.8 | 13% | 0.126 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.2 | -49.4 | 173.8 | -171.7 | 162.3 | 0 | 0 | 0 | 110.6 | V68 T69 I72 L119 H120 H125 Y126 H127 | V68-L123 HydrophobicContact CG1-CB 3.88Å; T69-L123 WeakPolarHBondContact OG1-CD1 3.33Å; I72-L123 HydrophobicContact CD1-CB 4.41Å; I72-L123 HydrophobicContact CD1-CD1 3.63Å; L119-L123 WeakPolarHBondContact O-CB 3.43Å; L119-L123 PolarHBondContact O-N 2.95Å; H120-L123 WeakPolarHBondContact O-CB 3.42Å; H120-L123 PolarHBondContact O-N 3.09Å; H120-L123 VanDerWaalsContact O-N 3.12Å; L123-H125 VanDerWaalsContact C-N 3.29Å; L123-H125 PolarHBondContact O-N 3.08Å; L123-Y126 PolarHBondContact O-N 2.81Å; L123-Y126 VanDerWaalsContact O-N 3.08Å; L123-H127 WeakPolarHBondContact CD2-CE1 3.05Å; L123-H127 WeakPolarHBondContact CD2-ND1 3.38Å; L123-H127 PolarHBondContact O-N 2.84Å |
| 124 | E | 95.9 | Very high | 92.7 | Very high | 126 Ų | 126 | 79.4 Ų | 79.4 | 59% | 0.589 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -54.7 | -43.7 | 173.2 | -73.3 | 172.8 | -174.3 | 0 | 0 | 112 | H120 Y126 H127 K128 | H120-E124 WeakPolarHBondContact O-CG 3.48Å; H120-E124 PolarHBondContact O-N 3.01Å; E124-Y126 PolarHBondContact O-N 3.5Å; E124-H127 PolarHBondContact O-N 2.92Å; E124-K128 WeakPolarHBondContact O-CB 3.35Å; E124-K128 PolarHBondContact O-N 3.42Å |
| 125 | H | 95.3 | Very high | 91.5 | Very high | 110 Ų | 110 | 81.2 Ų | 81.2 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 176.4 | -178.1 | 73.3 | 0 | 0 | 0 | 112.8 | K121 K122 L123 K129 | K121-H125 WeakPolarHBondContact O-CB 3.4Å; K121-H125 PolarHBondContact O-N 3.01Å; K121-H125 VanDerWaalsContact O-N 3.09Å; K122-H125 PolarHBondContact O-N 2.92Å; L123-H125 VanDerWaalsContact C-N 3.29Å; L123-H125 PolarHBondContact O-N 3.08Å; H125-K129 WeakPolarHBondContact NE2-CE 3.47Å; H125-K129 WeakPolarHBondContact O-CB 3.31Å; H125-K129 WeakPolarHBondContact O-CG 3.42Å; H125-K129 PolarHBondContact O-N 3.3Å |
| 126 | Y | 94.8 | Very high | 90.1 | Very high | 40 Ų | 40 | 84.1 Ų | 84.1 | 16% | 0.157 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -73.9 | -40.5 | 175.6 | -65.1 | -32.7 | 0 | 0 | 0 | 112.8 | L61 K64 V68 K122 L123 E124 K128 K129 L130 | L61-Y126 HydrophobicContact CD1-CD1 3.63Å; L61-Y126 HydrophobicContact CD1-CE1 4.4Å; L61-Y126 HydrophobicContact CD1-CG 3.91Å; K64-Y126 HydrophobicContact CB-CD2 3.97Å; K64-Y126 HydrophobicContact CB-CE2 3.8Å; K64-Y126 HydrophobicContact CD-CE1 4.35Å; K64-Y126 HydrophobicContact CG-CE2 4.43Å; V68-Y126 HydrophobicContact CG2-CD2 4.2Å; V68-Y126 HydrophobicContact CG2-CE2 3.8Å; K122-Y126 HydrophobicContact CD-CE2 4.35Å; K122-Y126 VanDerWaalsContact CE-OH 3.25Å; K122-Y126 WeakPolarHBondContact CE-OH 3.44Å; K122-Y126 HydrophobicContact CG-CD2 4.36Å; K122-Y126 HydrophobicContact CG-CE2 3.84Å; K122-Y126 WeakPolarHBondContact O-CD2 3.47Å; K122-Y126 PolarHBondContact O-N 3.03Å; L123-Y126 PolarHBondContact O-N 2.81Å; L123-Y126 VanDerWaalsContact O-N 3.08Å; E124-Y126 PolarHBondContact O-N 3.5Å; Y126-K128 VanDerWaalsContact C-N 3.3Å; Y126-K128 PolarHBondContact O-N 3.36Å; Y126-K129 PolarHBondContact O-N 2.86Å; Y126-L130 WeakPolarHBondContact O-CB 3.48Å; Y126-L130 PolarHBondContact O-N 3.36Å |
| 127 | H | 93.1 | Very high | 88.4 | Confident | 87 Ų | 87 | 84.9 Ų | 84.9 | 40% | 0.403 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.4 | -41.2 | 171.2 | -81.9 | -170.5 | 0 | 0 | 0 | 112.1 | I65 L123 E124 L130 K131 | I65-H127 VanDerWaalsContact CG2-NE2 3.32Å; I65-H127 WeakPolarHBondContact CG2-NE2 3.47Å; L123-H127 WeakPolarHBondContact CD2-CE1 3.05Å; L123-H127 WeakPolarHBondContact CD2-ND1 3.38Å; L123-H127 PolarHBondContact O-N 2.84Å; E124-H127 PolarHBondContact O-N 2.92Å; H127-L130 PolarHBondContact O-N 3.31Å; H127-K131 WeakPolarHBondContact O-CG 3.33Å; H127-K131 PolarHBondContact O-N 3.46Å; H127-K131 VanDerWaalsContact O-N 3.14Å |
| 128 | K | 92.7 | Very high | 85.9 | Confident | 125 Ų | 125 | 85.4 Ų | 85.4 | 54% | 0.543 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64 | -48.4 | 175.9 | -164.9 | -170.3 | -177.3 | -127.8 | 0 | 111.1 | E124 Y126 L130 K131 E132 | E124-K128 WeakPolarHBondContact O-CB 3.35Å; E124-K128 PolarHBondContact O-N 3.42Å; Y126-K128 VanDerWaalsContact C-N 3.3Å; Y126-K128 PolarHBondContact O-N 3.36Å; K128-L130 VanDerWaalsContact C-N 3.3Å; K128-L130 PolarHBondContact O-N 2.91Å; K128-K131 PolarHBondContact O-N 3.17Å; K128-E132 WeakPolarHBondContact CD-OE1 3.31Å; K128-E132 WeakPolarHBondContact CE-OE1 3.38Å; K128-E132 IonicContact NZ-OE1 3.84Å; K128-E132 PolarHBondContact NZ-OE1 3.18Å; K128-E132 WeakPolarHBondContact O-CB 3.48Å; K128-E132 VanDerWaalsContact O-CG 3.31Å; K128-E132 WeakPolarHBondContact O-CG 3.26Å; K128-E132 PolarHBondContact O-N 2.85Å |
| 129 | K | 89.1 | Confident | 83.5 | Confident | 83 Ų | 83 | 83 Ų | 83 | 36% | 0.361 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62 | -34.6 | 177 | -82 | -178.4 | 164.2 | 172.2 | 0 | 113.5 | L61 H125 Y126 E132 I133 | L61-K129 HydrophobicContact CD2-CB 3.78Å; H125-K129 WeakPolarHBondContact NE2-CE 3.47Å; H125-K129 WeakPolarHBondContact O-CB 3.31Å; H125-K129 WeakPolarHBondContact O-CG 3.42Å; H125-K129 PolarHBondContact O-N 3.3Å; Y126-K129 PolarHBondContact O-N 2.86Å; K129-E132 PolarHBondContact O-N 3.25Å; K129-I133 VanDerWaalsContact O-CG1 3.3Å; K129-I133 WeakPolarHBondContact O-CG1 3.29Å; K129-I133 PolarHBondContact O-N 2.89Å |
| 130 | L | 87.7 | Confident | 81.1 | Confident | 23 Ų | 23 | 92.1 Ų | 92.1 | 12% | 0.12 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -64.5 | -51 | 177 | -177.9 | 120 | 0 | 0 | 0 | 109.7 | L58 L61 Q62 I65 Y126 H127 K128 E132 I133 E134 | L58-L130 HydrophobicContact CD2-CD1 4.43Å; L58-L130 HydrophobicContact CD2-CG 4.42Å; L61-L130 HydrophobicContact CD2-CB 3.85Å; L61-L130 HydrophobicContact CG-CB 4.38Å; Q62-L130 HydrophobicContact CG-CD1 3.51Å; I65-L130 HydrophobicContact CD1-CB 4.19Å; I65-L130 HydrophobicContact CD1-CD1 3.84Å; I65-L130 HydrophobicContact CD1-CG 4.49Å; Y126-L130 WeakPolarHBondContact O-CB 3.48Å; Y126-L130 PolarHBondContact O-N 3.36Å; H127-L130 PolarHBondContact O-N 3.31Å; K128-L130 VanDerWaalsContact C-N 3.3Å; K128-L130 PolarHBondContact O-N 2.91Å; L130-E132 VanDerWaalsContact C-N 3.31Å; L130-E132 PolarHBondContact O-N 3.28Å; L130-I133 PolarHBondContact O-N 2.81Å; L130-I133 VanDerWaalsContact O-N 3.12Å; L130-E134 WeakPolarHBondContact CD2-OE1 3.49Å; L130-E134 WeakPolarHBondContact CD2-OE2 3.34Å; L130-E134 HydrophobicContact CG-CG 4.49Å; L130-E134 WeakPolarHBondContact O-CB 3.43Å; L130-E134 WeakPolarHBondContact O-CG 3.35Å; L130-E134 PolarHBondContact O-N 3.12Å |
| 131 | K | 86.8 | Confident | 78.6 | Confident | 136 Ų | 136 | 94.5 Ų | 94.5 | 59% | 0.591 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60.3 | -37.9 | 173.8 | -68.5 | -179.2 | 178.9 | -174.5 | 0 | 113 | H127 K128 I133 E134 Q135 | H127-K131 WeakPolarHBondContact O-CG 3.33Å; H127-K131 PolarHBondContact O-N 3.46Å; H127-K131 VanDerWaalsContact O-N 3.14Å; K128-K131 PolarHBondContact O-N 3.17Å; K131-I133 VanDerWaalsContact C-N 3.31Å; K131-I133 PolarHBondContact O-N 2.83Å; K131-E134 PolarHBondContact O-N 3.4Å; K131-Q135 WeakPolarHBondContact O-CB 3.29Å; K131-Q135 PolarHBondContact O-N 2.96Å |
| 132 | E | 84.4 | Confident | 76.2 | Confident | 73 Ų | 73 | 92.3 Ų | 92.3 | 34% | 0.341 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.7 | -33 | 176.2 | -75.6 | 168.4 | 177.6 | 0 | 0 | 112.6 | K128 K129 L130 N136 | K128-E132 WeakPolarHBondContact CD-OE1 3.31Å; K128-E132 WeakPolarHBondContact CE-OE1 3.38Å; K128-E132 IonicContact NZ-OE1 3.84Å; K128-E132 PolarHBondContact NZ-OE1 3.18Å; K128-E132 WeakPolarHBondContact O-CB 3.48Å; K128-E132 VanDerWaalsContact O-CG 3.31Å; K128-E132 WeakPolarHBondContact O-CG 3.26Å; K128-E132 PolarHBondContact O-N 2.85Å; K129-E132 PolarHBondContact O-N 3.25Å; L130-E132 VanDerWaalsContact C-N 3.31Å; L130-E132 PolarHBondContact O-N 3.28Å; E132-N136 WeakPolarHBondContact O-CB 3.33Å; E132-N136 PolarHBondContact O-ND2 3.49Å |
| 133 | I | 81.8 | Confident | 73.8 | Confident | 57 Ų | 57 | 97 Ų | 97 | 29% | 0.292 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -83.2 | -37.6 | 176.7 | -63.9 | 165.5 | 0 | 0 | 0 | 111.4 | L58 L61 K129 L130 K131 | L58-I133 HydrophobicContact CD1-CG2 4.36Å; L58-I133 HydrophobicContact CD2-CB 3.96Å; L58-I133 HydrophobicContact CD2-CG2 3.64Å; L58-I133 HydrophobicContact CG-CG2 3.85Å; L61-I133 HydrophobicContact CD2-CD1 4.09Å; K129-I133 VanDerWaalsContact O-CG1 3.3Å; K129-I133 WeakPolarHBondContact O-CG1 3.29Å; K129-I133 PolarHBondContact O-N 2.89Å; L130-I133 PolarHBondContact O-N 2.81Å; L130-I133 VanDerWaalsContact O-N 3.12Å; K131-I133 VanDerWaalsContact C-N 3.31Å; K131-I133 PolarHBondContact O-N 2.83Å |
| 134 | E | 78.8 | Confident | 71.7 | Confident | 104 Ų | 104 | 98.1 Ų | 98.1 | 49% | 0.486 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.5 | -41.6 | 176.9 | -71.4 | 173.2 | 160.2 | 0 | 0 | 112.5 | L58 L130 K131 | L58-E134 HydrophobicContact CD2-CG 3.87Å; L130-E134 WeakPolarHBondContact CD2-OE1 3.49Å; L130-E134 WeakPolarHBondContact CD2-OE2 3.34Å; L130-E134 HydrophobicContact CG-CG 4.49Å; L130-E134 WeakPolarHBondContact O-CB 3.43Å; L130-E134 WeakPolarHBondContact O-CG 3.35Å; L130-E134 PolarHBondContact O-N 3.12Å; K131-E134 PolarHBondContact O-N 3.4Å |
| 135 | Q | 71.9 | Confident | 69.9 | Low | 165 Ų | 165 | 96.7 Ų | 96.7 | 77% | 0.771 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -83.2 | -29.4 | -172.1 | -172.6 | 166.4 | 45.5 | 0 | 0 | 114.1 | K131 | K131-Q135 WeakPolarHBondContact O-CB 3.29Å; K131-Q135 PolarHBondContact O-N 2.96Å |
| 136 | N | 65.5 | Low | 67.9 | Low | 103 Ų | 103 | 97.5 Ų | 97.5 | 55% | 0.551 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -101.3 | -1 | -174.6 | -61 | -52.7 | 0 | 0 | 0 | 114 | E132 A139 | E132-N136 WeakPolarHBondContact O-CB 3.33Å; E132-N136 PolarHBondContact O-ND2 3.49Å; N136-A139 HydrophobicContact CB-CB 4.06Å |
| 137 | G | 59.9 | Low | 66.3 | Low | 33 Ų | 33 | 102.7 Ų | 102.7 | 34% | 0.34 | 51% | 0.51 | S | S | . | . | S | Bend | trans | 60.9 | -156.1 | -163.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A139 | G137-A139 PolarHBondContact O-N 2.88Š|
| 138 | P | 44.9 | Very low | 64.6 | Low | 71 Ų | 71 | 104.1 Ų | 104.1 | 46% | 0.461 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -68.4 | 83.9 | 172.8 | 28.5 | -32.4 | 0 | 0 | 0 | 110.8 | E50 T54 R140 | E50-P138 HydrophobicContact CG-CB 4.03Å; E50-P138 HydrophobicContact CG-CG 4.13Å; E50-P138 WeakPolarHBondContact OE1-CB 3.39Å; T54-P138 HydrophobicContact CG2-CB 3.87Å; P138-R140 VanDerWaalsContact C-N 3.28Å; P138-R140 PolarHBondContact O-N 3.11Å |
| 139 | A | 45.7 | Very low | 62.8 | Low | 72 Ų | 72 | 105 Ų | 105 | 60% | 0.595 | 53% | 0.528 | S | S | * | . | trans | -65.6 | 91.7 | 167 | 0 | 0 | 0 | 0 | 0 | 109.2 | N136 G137 | N136-A139 HydrophobicContact CB-CB 4.06Å; G137-A139 PolarHBondContact O-N 2.88Å | ||
| 140 | R | 48.1 | Very low | 61.2 | Low | 198 Ų | 198 | 107 Ų | 107 | 75% | 0.747 | 54% | 0.539 | S | S | * | . | trans | 35.2 | 119.6 | 155.7 | -71.5 | 175.9 | 176.8 | 175.5 | 0.8 | 117.3 | P138 D144 | P138-R140 VanDerWaalsContact C-N 3.28Å; P138-R140 PolarHBondContact O-N 3.11Å; R140-D144 HydrophobicContact CB-CB 4.32Å; R140-D144 WeakPolarHBondContact CB-OD2 3.36Å; R140-D144 WeakPolarHBondContact CD-OD2 3.34Å | ||
| 141 | Q | 44.3 | Very low | 59.8 | Low | 133 Ų | 133 | 110.4 Ų | 110.4 | 62% | 0.621 | 55% | 0.554 | S | S | * | * | trans | -20.7 | 138.3 | 161.1 | -71.1 | -83.1 | -17.9 | 0 | 0 | 114.7 | K143 D144 | Q141-K143 HydrophobicContact CB-CB 4.43Å; Q141-K143 PolarHBondContact O-N 3.02Å; Q141-D144 PolarHBondContact O-N 2.87Å | ||
| 142 | P | 46.2 | Very low | 58.4 | Low | 103 Ų | 103 | 106 Ų | 106 | 67% | 0.669 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -7.5 | 180 | 23.9 | -34.3 | 0 | 0 | 0 | 115.2 | D144 V145 | P142-D144 VanDerWaalsContact C-N 3.27Å; P142-D144 PolarHBondContact O-N 2.91Å; P142-V145 PolarHBondContact O-N 3.19Å |
| 143 | K | 47 | Very low | 57.1 | Low | 171 Ų | 171 | 109.3 Ų | 109.3 | 74% | 0.743 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -57.2 | -33.8 | 166.4 | -99.2 | 160.6 | 174.8 | 164.3 | 0 | 113.7 | Q141 R147 | Q141-K143 HydrophobicContact CB-CB 4.43Å; Q141-K143 PolarHBondContact O-N 3.02Å; K143-R147 PolarHBondContact O-N 3.11Å |
| 144 | D | 52.3 | Low | 55.8 | Low | 48 Ų | 48 | 113.6 Ų | 113.6 | 26% | 0.257 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -80.3 | -24.6 | -178.3 | -75.6 | -41.9 | 0 | 0 | 0 | 113.3 | R140 Q141 P142 R147 D148 | R140-D144 HydrophobicContact CB-CB 4.32Å; R140-D144 WeakPolarHBondContact CB-OD2 3.36Å; R140-D144 WeakPolarHBondContact CD-OD2 3.34Å; Q141-D144 PolarHBondContact O-N 2.87Å; P142-D144 VanDerWaalsContact C-N 3.27Å; P142-D144 PolarHBondContact O-N 2.91Å; D144-R147 CarbonylContact O-C 3.59Å; D144-R147 WeakPolarHBondContact O-CB 3.48Å; D144-R147 PolarHBondContact O-N 2.98Å; D144-R147 IonicContact OD1-NE 3.47Å; D144-D148 PolarHBondContact O-N 3.23Å |
| 145 | V | 56.8 | Low | 54.6 | Low | 95 Ų | 95 | 113.9 Ų | 113.9 | 58% | 0.576 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.8 | -38.3 | 173.2 | -174.4 | 0 | 0 | 0 | 0 | 110.9 | P142 R147 M149 | P142-V145 PolarHBondContact O-N 3.19Å; V145-R147 VanDerWaalsContact C-N 3.28Å; V145-M149 PolarHBondContact O-N 3.14Å |
| 146 | L | 54.4 | Low | 53.8 | Low | 127 Ų | 127 | 110.5 Ų | 110.5 | 67% | 0.665 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.6 | -36.2 | 171.6 | -138.3 | 78.9 | 0 | 0 | 0 | 111 | Q150 | L146-Q150 WeakPolarHBondContact O-CB 3.42Å; L146-Q150 PolarHBondContact O-N 2.94Å |
| 147 | R | 60.3 | Low | 53.1 | Low | 150 Ų | 150 | 108 Ų | 108 | 57% | 0.566 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.1 | -44.2 | 177.4 | -151.1 | 172.6 | 91.5 | 159.3 | 5.2 | 111.8 | K143 D144 V145 Q150 Q151 | K143-R147 PolarHBondContact O-N 3.11Å; D144-R147 CarbonylContact O-C 3.59Å; D144-R147 WeakPolarHBondContact O-CB 3.48Å; D144-R147 PolarHBondContact O-N 2.98Å; D144-R147 IonicContact OD1-NE 3.47Å; V145-R147 VanDerWaalsContact C-N 3.28Å; R147-Q150 CarbonylContact O-C 3.57Å; R147-Q150 PolarHBondContact O-N 2.81Å; R147-Q150 VanDerWaalsContact O-N 3.15Å; R147-Q151 VanDerWaalsContact O-CB 3.32Å; R147-Q151 WeakPolarHBondContact O-CB 3.34Å; R147-Q151 PolarHBondContact O-N 3.29Å |
| 148 | D | 57.3 | Low | 52.7 | Low | 117 Ų | 117 | 109.1 Ų | 109.1 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.5 | -37.6 | 176.7 | -91.8 | 0.9 | 0 | 0 | 0 | 112.5 | D144 Q150 Q151 G152 | D144-D148 PolarHBondContact O-N 3.23Å; D148-Q150 VanDerWaalsContact C-N 3.31Å; D148-Q150 PolarHBondContact O-N 3.43Å; D148-Q151 PolarHBondContact O-N 2.89Å; D148-G152 PolarHBondContact O-N 2.95Å |
| 149 | M | 56.1 | Low | 53 | Low | 142 Ų | 142 | 111.7 Ų | 111.7 | 70% | 0.7 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.2 | -35.9 | 170.7 | -72.3 | -173 | 73.4 | 0 | 0 | 112 | V145 L153 | V145-M149 PolarHBondContact O-N 3.14Å; M149-L153 PolarHBondContact O-N 2.7Å |
| 150 | Q | 55.4 | Low | 53.3 | Low | 127 Ų | 127 | 113.4 Ų | 113.4 | 59% | 0.593 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -76.3 | -22.3 | 175.2 | -165.9 | 170.7 | 4.4 | 0 | 0 | 113.2 | L146 R147 D148 | L146-Q150 WeakPolarHBondContact O-CB 3.42Å; L146-Q150 PolarHBondContact O-N 2.94Å; R147-Q150 CarbonylContact O-C 3.57Å; R147-Q150 PolarHBondContact O-N 2.81Å; R147-Q150 VanDerWaalsContact O-N 3.15Å; D148-Q150 VanDerWaalsContact C-N 3.31Å; D148-Q150 PolarHBondContact O-N 3.43Å |
| 151 | Q | 58.5 | Low | 53.2 | Low | 94 Ų | 94 | 114 Ų | 114 | 44% | 0.439 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -79.5 | -45.9 | 173.8 | -155.3 | 101.7 | 12.4 | 0 | 0 | 110.3 | R147 D148 L153 K154 D155 | R147-Q151 VanDerWaalsContact O-CB 3.32Å; R147-Q151 WeakPolarHBondContact O-CB 3.34Å; R147-Q151 PolarHBondContact O-N 3.29Å; D148-Q151 PolarHBondContact O-N 2.89Å; Q151-L153 PolarHBondContact O-N 3.31Å; Q151-K154 WeakPolarHBondContact O-CA 3.36Å; Q151-K154 WeakPolarHBondContact O-CB 3.3Å; Q151-K154 PolarHBondContact O-N 3.12Å; Q151-D155 PolarHBondContact O-N 3.45Å; Q151-D155 VanDerWaalsContact O-N 3.14Å |
| 152 | G | 56.4 | Low | 53.4 | Low | 43 Ų | 43 | 111.2 Ų | 111.2 | 44% | 0.443 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61 | -30.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D148 K154 | D148-G152 PolarHBondContact O-N 2.95Å; G152-K154 VanDerWaalsContact C-N 3.35Å |
| 153 | L | 57.3 | Low | 53.2 | Low | 143 Ų | 143 | 109.4 Ų | 109.4 | 75% | 0.749 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74.5 | -22.7 | 172.4 | -147.7 | 74.1 | 0 | 0 | 0 | 113.2 | M149 Q151 | M149-L153 PolarHBondContact O-N 2.7Å; Q151-L153 PolarHBondContact O-N 3.31Å |
| 154 | K | 54.4 | Low | 53.2 | Low | 147 Ų | 147 | 108.5 Ų | 108.5 | 64% | 0.639 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -77.8 | -38.4 | 173.9 | -79.8 | 177 | 173.2 | 178.5 | 0 | 112.4 | Q151 G152 V156 G157 A158 | Q151-K154 WeakPolarHBondContact O-CA 3.36Å; Q151-K154 WeakPolarHBondContact O-CB 3.3Å; Q151-K154 PolarHBondContact O-N 3.12Å; G152-K154 VanDerWaalsContact C-N 3.35Å; K154-V156 VanDerWaalsContact C-N 3.34Å; K154-V156 PolarHBondContact O-N 2.92Å; K154-G157 WeakPolarHBondContact O-CA 3.28Å; K154-G157 PolarHBondContact O-N 3.47Å; K154-A158 PolarHBondContact O-N 2.88Å; K154-A158 VanDerWaalsContact O-N 3.11Å |
| 155 | D | 53.4 | Low | 52.8 | Low | 109 Ų | 109 | 111.4 Ų | 111.4 | 58% | 0.583 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.1 | -31.8 | -179.7 | -93.6 | -51.7 | 0 | 0 | 0 | 113.4 | Q151 G157 A158 N159 | Q151-D155 PolarHBondContact O-N 3.45Å; Q151-D155 VanDerWaalsContact O-N 3.14Å; D155-G157 VanDerWaalsContact C-N 3.25Å; D155-G157 PolarHBondContact O-N 3.15Å; D155-A158 PolarHBondContact O-N 2.97Å; D155-N159 WeakPolarHBondContact O-CB 3.42Å; D155-N159 PolarHBondContact O-N 2.94Å |
| 156 | V | 56.1 | Low | 51.8 | Low | 95 Ų | 95 | 110 Ų | 110 | 58% | 0.576 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.3 | -36.7 | 170.3 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | K154 V160 | K154-V156 VanDerWaalsContact C-N 3.34Å; K154-V156 PolarHBondContact O-N 2.92Å; V156-V160 WeakPolarHBondContact O-CG2 3.23Å; V156-V160 PolarHBondContact O-N 2.92Å |
| 157 | G | 50.9 | Low | 50.8 | Low | 51 Ų | 51 | 114.1 Ų | 114.1 | 53% | 0.526 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -70.6 | -31.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K154 D155 | K154-G157 WeakPolarHBondContact O-CA 3.28Å; K154-G157 PolarHBondContact O-N 3.47Å; D155-G157 VanDerWaalsContact C-N 3.25Å; D155-G157 PolarHBondContact O-N 3.15Å |
| 158 | A | 50.9 | Low | 49.7 | Very low | 55 Ų | 55 | 110.5 Ų | 110.5 | 46% | 0.455 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -73.8 | -45 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K154 D155 V160 R161 A162 | K154-A158 PolarHBondContact O-N 2.88Å; K154-A158 VanDerWaalsContact O-N 3.11Å; D155-A158 PolarHBondContact O-N 2.97Å; A158-V160 VanDerWaalsContact C-N 3.34Å; A158-V160 PolarHBondContact O-N 2.9Å; A158-R161 PolarHBondContact O-N 3.43Å; A158-R161 VanDerWaalsContact O-N 3.1Å; A158-A162 PolarHBondContact O-N 2.89Å |
| 159 | N | 51.3 | Low | 48.5 | Very low | 125 Ų | 125 | 108.8 Ų | 108.8 | 67% | 0.668 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -65.9 | -34 | -177 | -161.5 | 48.6 | 0 | 0 | 0 | 112.8 | D155 R161 A162 G163 | D155-N159 WeakPolarHBondContact O-CB 3.42Å; D155-N159 PolarHBondContact O-N 2.94Å; N159-R161 VanDerWaalsContact C-N 3.3Å; N159-R161 PolarHBondContact O-N 3.35Å; N159-A162 PolarHBondContact O-N 3.42Å; N159-G163 PolarHBondContact O-N 3.16Å |
| 160 | V | 50.9 | Low | 47.3 | Very low | 108 Ų | 108 | 105.3 Ų | 105.3 | 66% | 0.655 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -66.8 | -29.2 | 174.2 | 170.9 | 0 | 0 | 0 | 0 | 112.5 | V156 A158 | V156-V160 WeakPolarHBondContact O-CG2 3.23Å; V156-V160 PolarHBondContact O-N 2.92Å; A158-V160 VanDerWaalsContact C-N 3.34Å; A158-V160 PolarHBondContact O-N 2.9Å |
| 161 | R | 47.1 | Very low | 46.5 | Very low | 210 Ų | 210 | 105.6 Ų | 105.6 | 79% | 0.792 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -77.3 | -24.3 | 176.7 | -174.6 | 173.9 | -73.3 | -106.1 | 0.5 | 112.9 | A158 N159 | A158-R161 PolarHBondContact O-N 3.43Å; A158-R161 VanDerWaalsContact O-N 3.1Å; N159-R161 VanDerWaalsContact C-N 3.3Å; N159-R161 PolarHBondContact O-N 3.35Å |
| 162 | A | 47.9 | Very low | 45.6 | Very low | 76 Ų | 76 | 107.2 Ų | 107.2 | 63% | 0.628 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -80.5 | -15.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A158 N159 I164 | A158-A162 PolarHBondContact O-N 2.89Å; N159-A162 PolarHBondContact O-N 3.42Å; A162-I164 VanDerWaalsContact C-N 3.26Å; A162-I164 PolarHBondContact O-N 3.35Å |
| 163 | G | 42.8 | Very low | 44.5 | Very low | 65 Ų | 65 | 113.2 Ų | 113.2 | 67% | 0.67 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 7.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | N159 | N159-G163 PolarHBondContact O-N 3.16Š|
| 164 | I | 47.5 | Very low | 43.3 | Very low | 152 Ų | 152 | 109.6 Ų | 109.6 | 78% | 0.779 | 70% | 0.7 | S | S | * | * | trans | -128.4 | 56.8 | -173.3 | 43.6 | 172.7 | 0 | 0 | 0 | 113.3 | A162 | A162-I164 VanDerWaalsContact C-N 3.26Å; A162-I164 PolarHBondContact O-N 3.35Å | ||
| 165 | S | 42 | Very low | 42.3 | Very low | 108 Ų | 108 | 108.7 Ų | 108.7 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | trans | -147.5 | 113 | 150.1 | -179.5 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 166 | G | 36.8 | Very low | 41.6 | Very low | 66 Ų | 66 | 113.1 Ų | 113.1 | 68% | 0.68 | 72% | 0.721 | S | S | * | * | 76.9 | 124 | 65.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 167 | F | 33.2 | Very low | 40.5 | Very low | 214 Ų | 214 | 112.3 Ų | 112.3 | 94% | 0.939 | 73% | 0.732 | S | S | * | * | cis | -170.8 | 144.9 | 9.2 | -174.5 | -93.5 | 0 | 0 | 0 | 110.8 | ||||
| 168 | G | 37 | Very low | 39.5 | Very low | 73 Ų | 73 | 113 Ų | 113 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | trans | 75.3 | 152.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 169 | G | 32.7 | Very low | 38.5 | Very low | 82 Ų | 82 | 116.9 Ų | 116.9 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | cis | 164 | 138 | -5.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 170 | G | 31.7 | Very low | 37.8 | Very low | 68 Ų | 68 | 116.7 Ų | 116.7 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | 124.1 | 106.9 | -178 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 171 | V | 38.7 | Very low | 36.9 | Very low | 134 Ų | 134 | 116 Ų | 116 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | 58.9 | 111.8 | 53 | -168.5 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 172 | V | 39.6 | Very low | 36 | Very low | 127 Ų | 127 | 113.4 Ų | 113.4 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | -145.1 | 121.7 | 68.9 | 169.2 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 173 | E | 32.6 | Very low | 35.1 | Very low | 169 Ų | 169 | 114.4 Ų | 114.4 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | 71.7 | 136.2 | 79.4 | -167.7 | 174.6 | -174.2 | 0 | 0 | 115.4 | V175 | E173-V175 HydrophobicContact CG-CG2 4.39Š| |||
| 174 | G | 32.4 | Very low | 34.7 | Very low | 67 Ų | 67 | 119 Ų | 119 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | trans | 135.1 | 46.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 175 | V | 33.8 | Very low | 34.1 | Very low | 128 Ų | 128 | 118.5 Ų | 118.5 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | 64.6 | 124 | 98.5 | 173.4 | 0 | 0 | 0 | 0 | 115.2 | E173 | E173-V175 HydrophobicContact CG-CG2 4.39Š| |||
| 176 | K | 38.3 | Very low | 33.9 | Very low | 202 Ų | 202 | 117.6 Ų | 117.6 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | trans | 100.2 | 87.5 | 165 | -147.8 | 172.1 | -168.6 | 179.6 | 0 | 112.9 | ||||
| 177 | G | 31.4 | Very low | 33.8 | Very low | 78 Ų | 78 | 120.6 Ų | 120.6 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | cis | 85.3 | 126.5 | 47.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 178 | G | 29.8 | Very low | 33.9 | Very low | 66 Ų | 66 | 116.8 Ų | 116.8 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | cis | 158.3 | 146.2 | 0.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 179 | V | 30.4 | Very low | 33.8 | Very low | 137 Ų | 137 | 118.5 Ų | 118.5 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | 48.3 | 113.3 | 160.1 | -60.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 180 | S | 38.3 | Very low | 34.4 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | 46.9 | 96 | 71.9 | -57.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 181 | A | 30.4 | Very low | 34.7 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | trans | 174.5 | 127.1 | 135.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 182 | L | 28 | Very low | 34.7 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | trans | -165.9 | 111.9 | 130.2 | -122.5 | 71.1 | 0 | 0 | 0 | 107.1 | ||||
| 183 | T | 30 | Very low | 34.5 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 59% | 0.589 | 77% | 0.773 | S | S | * | * | 68 | 139.3 | 103.6 | 62.9 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 184 | H | 34.5 | Very low | 34.6 | Very low | 163 Ų | 163 | 131.9 Ų | 131.9 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | cis | -163.5 | 164.9 | -2.3 | -101.2 | -48 | 0 | 0 | 0 | 109.2 | ||||
| 185 | T | 35.5 | Very low | 34.7 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | trans | 68.6 | 151 | 171.1 | 75.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 186 | A | 37.6 | Very low | 34.7 | Very low | 88 Ų | 88 | 131.4 Ų | 131.4 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | cis | -176 | 151.1 | -21.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 187 | V | 34.1 | Very low | 34.9 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | cis | -158.8 | 159.1 | -18.1 | -91.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 188 | V | 35.1 | Very low | 35.3 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | 30.8 | 135.1 | 136.1 | -175.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 189 | S | 34.8 | Very low | 35.8 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | cis | -154.3 | 158.6 | 27.1 | 31.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 190 | K | 46 | Very low | 36.4 | Very low | 203 Ų | 203 | 138.4 Ų | 138.4 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | -91.2 | 156.8 | 162.7 | -61.5 | 176.7 | 174.6 | 175.9 | 0 | 110.2 | ||||
| 191 | P | 36.9 | Very low | 36.6 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | -153 | 160.9 | 88.7 | 39.6 | -20.5 | 0 | 0 | 0 | 118 | |||||
| 192 | R | 38.6 | Very low | 36.8 | Very low | 205 Ų | 205 | 145.6 Ų | 145.6 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | trans | 14.1 | 138.5 | 132.9 | -156 | 172.2 | 175.5 | 159.6 | 0.5 | 121.4 | ||||
| 193 | E | 36.2 | Very low | 37 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 61% | 0.607 | 76% | 0.762 | S | S | * | * | trans | 52.5 | 123.6 | 154.7 | -73.4 | 161.6 | -145.9 | 0 | 0 | 119.5 | ||||
| 194 | F | 33.9 | Very low | 37.1 | Very low | 202 Ų | 202 | 141.6 Ų | 141.6 | 89% | 0.886 | 76% | 0.764 | S | S | * | * | -175 | 154.3 | 105.8 | -111.5 | -83.1 | 0 | 0 | 0 | 111.8 | |||||
| 195 | A | 34.9 | Very low | 37.1 | Very low | 80 Ų | 80 | 137.9 Ų | 137.9 | 66% | 0.661 | 76% | 0.762 | S | S | * | * | trans | -90.4 | 169.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 196 | S | 33.1 | Very low | 36.9 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | 86.8 | 128.4 | 151.7 | 82.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 197 | L | 42.8 | Very low | 37.1 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | 72.9 | 154.4 | 138.9 | -97.2 | 70.7 | 0 | 0 | 0 | 120.6 | ||||
| 198 | I | 41.4 | Very low | 37.2 | Very low | 143 Ų | 143 | 142.8 Ų | 142.8 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | 77.2 | 122.4 | 173.3 | -56 | 165.8 | 0 | 0 | 0 | 113.7 | ||||
| 199 | R | 39.7 | Very low | 37.5 | Very low | 220 Ų | 220 | 140.9 Ų | 140.9 | 83% | 0.83 | 76% | 0.762 | S | S | * | * | cis | -149.7 | 144 | -2 | -135.7 | 175.9 | -168.3 | 111.6 | -1.7 | 112.2 | ||||
| 200 | N | 43.1 | Very low | 37.4 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 58% | 0.583 | 76% | 0.763 | S | S | * | * | trans | -56 | 136 | 158.9 | -178.2 | -6.7 | 0 | 0 | 0 | 111.4 | F202 | N200-F202 WeakPolarHBondContact ND2-CD2 3.24Å; N200-F202 WeakPolarHBondContact ND2-CE2 3.33Å; N200-F202 WeakPolarHBondContact OD1-CD2 3.35Å; N200-F202 PolarHBondContact OD1-N 2.8Å | ||
| 201 | K | 42.7 | Very low | 36.7 | Very low | 204 Ų | 204 | 140.8 Ų | 140.8 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | trans | -133.4 | 84.5 | 151.3 | -89.4 | -165.7 | 175.2 | -69.7 | 0 | 110.6 | ||||
| 202 | F | 35 | Very low | 36.6 | Very low | 161 Ų | 161 | 143.1 Ų | 143.1 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 1.1 | 124 | 134.3 | -87.1 | -88.7 | 0 | 0 | 0 | 115.4 | N200 | N200-F202 WeakPolarHBondContact ND2-CD2 3.24Å; N200-F202 WeakPolarHBondContact ND2-CE2 3.33Å; N200-F202 WeakPolarHBondContact OD1-CD2 3.35Å; N200-F202 PolarHBondContact OD1-N 2.8Å | ||
| 203 | G | 31 | Very low | 36.2 | Very low | 79 Ų | 79 | 139.6 Ų | 139.6 | 81% | 0.814 | 75% | 0.751 | S | S | * | * | trans | -147.1 | 69.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 204 | S | 33.2 | Very low | 35.8 | Very low | 90 Ų | 90 | 138.7 Ų | 138.7 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | trans | -67.5 | 156.4 | 178.7 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 205 | A | 32.7 | Very low | 35.9 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | trans | 64.5 | 142.9 | 157.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 206 | D | 32.4 | Very low | 36 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | cis | -151.8 | 160.6 | 38 | -108.2 | -52.7 | 0 | 0 | 0 | 112.9 | ||||
| 207 | N | 41.6 | Very low | 36 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | trans | -78.9 | 146.4 | 154.4 | -65.8 | -78.6 | 0 | 0 | 0 | 108 | ||||
| 208 | I | 36.3 | Very low | 35.5 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | trans | -168.6 | 139.1 | 136 | -100.6 | 148.5 | 0 | 0 | 0 | 109.5 | ||||
| 209 | A | 41.5 | Very low | 35.2 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -86.1 | 134.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 210 | H | 32.5 | Very low | 34.7 | Very low | 170 Ų | 170 | 130.7 Ų | 130.7 | 79% | 0.787 | 75% | 0.749 | S | S | * | * | trans | -152.9 | 106.5 | 154.1 | -134.3 | -113.7 | 0 | 0 | 0 | 106.7 | ||||
| 211 | L | 30.8 | Very low | 34.1 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | 98.6 | 126.1 | 77.8 | -165.7 | 75.2 | 0 | 0 | 0 | 109.4 | |||||
| 212 | K | 34.8 | Very low | 33.5 | Very low | 169 Ų | 169 | 128.5 Ų | 128.5 | 74% | 0.735 | 76% | 0.761 | S | S | * | * | trans | -52.2 | 178.1 | 173 | 175.2 | -179.9 | 167.6 | -175.8 | 0 | 114.1 | ||||
| 213 | D | 29.9 | Very low | 33.4 | Very low | 132 Ų | 132 | 124 Ų | 124 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | 89.2 | 136.5 | 165 | -77.9 | -14.8 | 0 | 0 | 0 | 115.2 | ||||
| 214 | T | 28.7 | Very low | 33.6 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | cis | -157.4 | 168.3 | 6.8 | -87.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 215 | L | 36.1 | Very low | 33.5 | Very low | 143 Ų | 143 | 131.5 Ų | 131.5 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | 110 | 102.1 | 152.2 | -139.2 | 73.3 | 0 | 0 | 0 | 114.7 | ||||
| 216 | E | 35.8 | Very low | 33.5 | Very low | 170 Ų | 170 | 130.9 Ų | 130.9 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | 68.9 | 143.2 | 76.5 | -97.9 | -178.9 | -166.1 | 0 | 0 | 114.1 | |||||
| 217 | D | 33.8 | Very low | 33.8 | Very low | 146 Ų | 146 | 129.6 Ų | 129.6 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | cis | -151.4 | 155 | 15.9 | 175.7 | 36 | 0 | 0 | 0 | 113.2 | ||||
| 218 | G | 31.6 | Very low | 33.8 | Very low | 59 Ų | 59 | 128.8 Ų | 128.8 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | trans | 89.7 | 160.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 219 | V | 35.6 | Very low | 34 | Very low | 150 Ų | 150 | 125.4 Ų | 125.4 | 91% | 0.909 | 74% | 0.742 | S | S | * | * | cis | -159.9 | 143.3 | -26.5 | 167.1 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 220 | G | 30.2 | Very low | 33.4 | Very low | 71 Ų | 71 | 131.7 Ų | 131.7 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | cis | 172.8 | 170.9 | -5.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 221 | G | 30 | Very low | 33.3 | Very low | 82 Ų | 82 | 127.6 Ų | 127.6 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | trans | 78.5 | 139.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 222 | H | 30 | Very low | 33.3 | Very low | 186 Ų | 186 | 129.2 Ų | 129.2 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | cis | -153.2 | 162.7 | 7.7 | -167.2 | 55.1 | 0 | 0 | 0 | 109.5 | ||||
| 223 | S | 33.2 | Very low | 32.9 | Very low | 66 Ų | 66 | 126.6 Ų | 126.6 | 46% | 0.462 | 75% | 0.753 | S | S | . | * | trans | -34.9 | 167.5 | 176 | 18.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 224 | E | 34 | Very low | 32.8 | Very low | 175 Ų | 175 | 123.8 Ų | 123.8 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | cis | -165.8 | 166.6 | 4 | -116.2 | 144.3 | -136.6 | 0 | 0 | 106.6 | ||||
| 225 | D | 31.6 | Very low | 32.9 | Very low | 152 Ų | 152 | 124.7 Ų | 124.7 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | cis | -153.5 | -178 | -0.7 | -170 | 18.2 | 0 | 0 | 0 | 109.2 | ||||
| 226 | A | 33.1 | Very low | 32.8 | Very low | 71 Ų | 71 | 121.7 Ų | 121.7 | 59% | 0.587 | 76% | 0.762 | S | S | * | * | trans | -138.4 | 166.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 227 | P | 39 | Very low | 32.6 | Very low | 126 Ų | 126 | 119.9 Ų | 119.9 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | -152.1 | 163.2 | 80.7 | 36.8 | -16.3 | 0 | 0 | 0 | 117 | |||||
| 228 | T | 40.8 | Very low | 32.4 | Very low | 128 Ų | 128 | 120.3 Ų | 120.3 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -93.5 | 169.7 | 163.9 | 63 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 229 | P | 41.8 | Very low | 32.3 | Very low | 93 Ų | 93 | 124 Ų | 124 | 60% | 0.604 | 77% | 0.774 | S | S | * | * | -164.3 | 178.3 | 87.5 | 44.2 | -23.6 | 0 | 0 | 0 | 118.8 | |||||
| 230 | R | 29.1 | Very low | 32 | Very low | 224 Ų | 224 | 122.1 Ų | 122.1 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | 69 | 135.5 | 160.9 | -67.5 | 170.8 | 176.5 | 95.7 | 1.4 | 117.5 | ||||
| 231 | A | 29.7 | Very low | 32.1 | Very low | 84 Ų | 84 | 123.7 Ų | 123.7 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | cis | 92.6 | 141.2 | 29.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 232 | L | 30.3 | Very low | 32.5 | Very low | 177 Ų | 177 | 126.4 Ų | 126.4 | 93% | 0.927 | 77% | 0.77 | S | S | * | * | trans | 80 | 155.8 | -177.6 | -50.3 | 176 | 0 | 0 | 0 | 115 | ||||
| 233 | S | 26.2 | Very low | 32.6 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | cis | -177.3 | 144.6 | -22.5 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 234 | G | 28.6 | Very low | 32.5 | Very low | 73 Ų | 73 | 134.7 Ų | 134.7 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | 70.3 | 169.4 | 164 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 235 | S | 31.3 | Very low | 32.3 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | cis | -161.1 | 173.8 | -11.3 | -160.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 236 | A | 32.2 | Very low | 32.3 | Very low | 80 Ų | 80 | 126.6 Ų | 126.6 | 66% | 0.661 | 77% | 0.773 | S | S | * | * | trans | -66.8 | 162.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 237 | T | 31.4 | Very low | 32.6 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 179.2 | 120.8 | 133.7 | 35.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 238 | L | 30.5 | Very low | 32.8 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | 88.8 | 143.3 | 55.5 | -72.5 | -178.7 | 0 | 0 | 0 | 115.6 | |||||
| 239 | V | 28.6 | Very low | 32.8 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 78.9 | 133.3 | 167.6 | -177.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 240 | S | 29.5 | Very low | 32.4 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | cis | -164.3 | 166.9 | -15.8 | -98.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 241 | S | 34 | Very low | 32.7 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -68.6 | 176.5 | 172.9 | -44.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 242 | P | 37.1 | Very low | 32.9 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | -118.7 | 164.1 | 107.2 | -6.4 | 25.8 | 0 | 0 | 0 | 115 | |||||
| 243 | K | 32.5 | Very low | 33 | Very low | 192 Ų | 192 | 128.6 Ų | 128.6 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -132.1 | 133.2 | -175 | 165.1 | -180 | 175.1 | 175.8 | 0 | 109.7 | ||||
| 244 | Y | 31.1 | Very low | 33.3 | Very low | 233 Ų | 233 | 129.7 Ų | 129.7 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | trans | -160.5 | 136.8 | 156.7 | -123.5 | -91.5 | 0 | 0 | 0 | 106.2 | ||||
| 245 | G | 30.6 | Very low | 33.4 | Very low | 48 Ų | 48 | 131.3 Ų | 131.3 | 50% | 0.495 | 80% | 0.798 | S | S | . | * | cis | 124.8 | 76.2 | 0.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 246 | S | 30.5 | Very low | 33.5 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -160.6 | 129.5 | 152.1 | -151.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 247 | D | 39.3 | Very low | 33.5 | Very low | 148 Ų | 148 | 131.1 Ų | 131.1 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -111.6 | 130.4 | 175.8 | 17.2 | -72.1 | 0 | 0 | 0 | 106.6 | ||||
| 248 | D | 43.4 | Very low | 33.7 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -153.2 | 113.9 | 167.5 | -96.4 | -46.7 | 0 | 0 | 0 | 109.8 | ||||
| 249 | E | 41.9 | Very low | 33.8 | Very low | 189 Ų | 189 | 126.1 Ų | 126.1 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -86.5 | 121 | 170.5 | -76.8 | -88.4 | 136.1 | 0 | 0 | 109.1 | ||||
| 250 | C | 33 | Very low | 33.9 | Very low | 134 Ų | 134 | 123.2 Ų | 123.2 | 91% | 0.905 | 80% | 0.804 | S | S | * | * | trans | -155.2 | 134.5 | 155.6 | -140.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 251 | S | 34.3 | Very low | 34.1 | Very low | 107 Ų | 107 | 123.2 Ų | 123.2 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -97.5 | 136.3 | -179.6 | -68.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 252 | S | 34.8 | Very low | 34.2 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -178 | 120 | 148.3 | -77.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 253 | A | 31.8 | Very low | 34 | Very low | 90 Ų | 90 | 125.3 Ų | 125.3 | 74% | 0.744 | 81% | 0.809 | S | S | * | * | cis | 69.6 | 113.3 | 35.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 254 | T | 31.8 | Very low | 34 | Very low | 136 Ų | 136 | 120.2 Ų | 120.2 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | 99.3 | 134.2 | -173.4 | -148.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 255 | S | 32.1 | Very low | 34 | Very low | 108 Ų | 108 | 113 Ų | 113 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | cis | -150.7 | 136.8 | -21.5 | -95.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 256 | G | 32.5 | Very low | 34.2 | Very low | 78 Ų | 78 | 116.2 Ų | 116.2 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -97.1 | 122.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 257 | S | 32.3 | Very low | 34.1 | Very low | 126 Ų | 126 | 114.8 Ų | 114.8 | 88% | 0.881 | 83% | 0.832 | S | S | * | * | trans | -155.3 | 131.8 | 161.8 | -72.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 258 | G | 35.3 | Very low | 33.8 | Very low | 83 Ų | 83 | 112.9 Ų | 112.9 | 86% | 0.856 | 84% | 0.836 | S | S | * | * | cis | 127.5 | 39.9 | 5.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 259 | A | 32.6 | Very low | 33.1 | Very low | 98 Ų | 98 | 109.2 Ų | 109.2 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | trans | -149.8 | 135.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 260 | G | 30.8 | Very low | 32.6 | Very low | 75 Ų | 75 | 103.8 Ų | 103.8 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | cis | 99.3 | 73.2 | 17.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 261 | S | 33.9 | Very low | 32.7 | Very low | 111 Ų | 111 | 104.5 Ų | 104.5 | 78% | 0.776 | 83% | 0.831 | S | S | * | * | trans | -56.6 | 144.3 | 179.7 | -48.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 262 | N | 36 | Very low | 32.6 | Very low | 170 Ų | 170 | 105.4 Ų | 105.4 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | trans | -155.2 | 109.5 | 134.5 | -108.5 | -7.3 | 0 | 0 | 0 | 111.2 | ||||
| 263 | S | 33 | Very low | 32.4 | Very low | 119 Ų | 119 | 106.7 Ų | 106.7 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | trans | -86.1 | 135 | 170 | 52.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 264 | G | 32.7 | Very low | 32.3 | Very low | 84 Ų | 84 | 106.2 Ų | 106.2 | 87% | 0.866 | 84% | 0.838 | S | S | * | * | trans | 179.3 | 125.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 265 | G | 30.4 | Very low | 32.2 | Very low | 83 Ų | 83 | 103.2 Ų | 103.2 | 86% | 0.856 | 83% | 0.834 | S | S | * | * | trans | 108.5 | 97.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 266 | A | 34.8 | Very low | 32.3 | Very low | 115 Ų | 115 | 106.3 Ų | 106.3 | 95% | 0.95 | 84% | 0.839 | S | S | * | * | trans | -76.7 | 148 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 267 | G | 29.5 | Very low | 32.3 | Very low | 79 Ų | 79 | 110.1 Ų | 110.1 | 81% | 0.814 | 84% | 0.84 | S | S | * | * | trans | -173.3 | 127.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 268 | A | 33.3 | Very low | 32.6 | Very low | 108 Ų | 108 | 107 Ų | 107 | 89% | 0.893 | 83% | 0.828 | S | S | * | * | trans | -94.9 | 152.4 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 269 | G | 29.1 | Very low | 33.1 | Very low | 82 Ų | 82 | 109.5 Ų | 109.5 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | trans | 106.3 | 152.6 | 142.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 270 | G | 29.9 | Very low | 33.1 | Very low | 75 Ų | 75 | 111.3 Ų | 111.3 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | trans | 91.8 | 81 | 151.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | V272 | G270-V272 PolarHBondContact O-N 2.83Š| ||
| 271 | V | 34.8 | Very low | 33.5 | Very low | 149 Ų | 149 | 117 Ų | 117 | 90% | 0.903 | 84% | 0.839 | S | S | * | * | trans | -66.7 | 117.2 | 157.3 | 172.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 272 | V | 32.5 | Very low | 33.5 | Very low | 126 Ų | 126 | 115.1 Ų | 115.1 | 76% | 0.764 | 84% | 0.837 | S | S | * | * | trans | -154.8 | 117.2 | 153.4 | -92.2 | 0 | 0 | 0 | 0 | 112.7 | G270 | G270-V272 PolarHBondContact O-N 2.83Š| ||
| 273 | V | 30.8 | Very low | 33.5 | Very low | 145 Ų | 145 | 112.7 Ų | 112.7 | 88% | 0.879 | 83% | 0.833 | S | S | * | * | trans | 46.5 | 122.3 | 130.5 | -172.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 274 | G | 30.1 | Very low | 34.2 | Very low | 80 Ų | 80 | 112.9 Ų | 112.9 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | 153.4 | 114.8 | 139.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 275 | G | 29.1 | Very low | 34.8 | Very low | 73 Ų | 73 | 120.2 Ų | 120.2 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | trans | 116.4 | 80.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 276 | M | 34.1 | Very low | 35.2 | Very low | 174 Ų | 174 | 124.2 Ų | 124.2 | 86% | 0.857 | 83% | 0.834 | S | S | * | * | 63.4 | 115.6 | 82.9 | -156.1 | 88 | 173 | 0 | 0 | 110.5 | |||||
| 277 | L | 34.2 | Very low | 35.4 | Very low | 158 Ų | 158 | 126.3 Ų | 126.3 | 83% | 0.827 | 83% | 0.829 | S | S | * | * | -153.3 | 146.8 | 56.4 | -70.2 | 147.9 | 0 | 0 | 0 | 111.3 | |||||
| 278 | G | 36.9 | Very low | 35.9 | Very low | 61 Ų | 61 | 126.1 Ų | 126.1 | 63% | 0.629 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 159.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 279 | P | 46.2 | Very low | 36.6 | Very low | 135 Ų | 135 | 129.3 Ų | 129.3 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 131.2 | 172.5 | 31.1 | -31 | 0 | 0 | 0 | 111.1 | ||
| 280 | T | 32.9 | Very low | 37.6 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 148.9 | 177.1 | 48.1 | 0 | 0 | 0 | 0 | 111.7 | G282 | T280-G282 PolarHBondContact O-N 3.42Š|
| 281 | M | 38.2 | Very low | 38.3 | Very low | 195 Ų | 195 | 137 Ų | 137 | 96% | 0.961 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -64 | 129.4 | 175.1 | -74.6 | -159.4 | -81.3 | 0 | 0 | 111.9 | ||
| 282 | G | 33.8 | Very low | 38.9 | Very low | 71 Ų | 71 | 139.4 Ų | 139.4 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | trans | -113.7 | 113.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | T280 | T280-G282 PolarHBondContact O-N 3.42Š| ||
| 283 | S | 37.8 | Very low | 39.8 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -74 | 151.4 | 163.5 | -63.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 284 | P | 47.6 | Very low | 40.9 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | -122.9 | 141.3 | 124.4 | 33.5 | -28 | 0 | 0 | 0 | 111.5 | |||||
| 285 | R | 45.3 | Very low | 42 | Very low | 238 Ų | 238 | 144.5 Ų | 144.5 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -73 | 140.5 | 163.6 | -75.5 | 172.6 | 140.8 | 171.7 | -6.9 | 109.1 | ||||
| 286 | L | 37.9 | Very low | 43.4 | Very low | 167 Ų | 167 | 146.9 Ų | 146.9 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | -168.6 | 154 | 129.4 | -102.8 | 156.5 | 0 | 0 | 0 | 110.5 | |||||
| 287 | D | 39.2 | Very low | 44.7 | Very low | 160 Ų | 160 | 144.5 Ų | 144.5 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -72.1 | 152.7 | -170.3 | -54.4 | -88.6 | 0 | 0 | 0 | 113.8 | ||||
| 288 | G | 39.6 | Very low | 46.3 | Very low | 75 Ų | 75 | 139.7 Ų | 139.7 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | 166.7 | 97.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 289 | H | 49.3 | Very low | 48.3 | Very low | 175 Ų | 175 | 139.9 Ų | 139.9 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | trans | -54.4 | 135.8 | 170.6 | -74.5 | 39.7 | 0 | 0 | 0 | 112.7 | ||||
| 290 | H | 49.1 | Very low | 49.9 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 75% | 0.745 | 74% | 0.74 | S | S | * | * | trans | 146 | 153.7 | 135.2 | -78.5 | 88.7 | 0 | 0 | 0 | 114 | ||||
| 291 | H | 45.6 | Very low | 52.4 | Low | 157 Ų | 157 | 138 Ų | 138 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | trans | 71.2 | 80.4 | 171.1 | -58.3 | -54.5 | 0 | 0 | 0 | 119.5 | H293 | H291-H293 VanDerWaalsContact C-N 3.34Å; H291-H293 PolarHBondContact O-N 3.46Å | ||
| 292 | H | 46.7 | Very low | 54.6 | Low | 200 Ų | 200 | 132.8 Ų | 132.8 | 93% | 0.926 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 26.6 | 172.6 | -149.8 | 57.4 | 0 | 0 | 0 | 114.9 | ||
| 293 | H | 51.7 | Low | 57.1 | Low | 170 Ų | 170 | 133.9 Ų | 133.9 | 79% | 0.787 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | -10.6 | -173.2 | -140.1 | -49 | 0 | 0 | 0 | 115.8 | H291 | H291-H293 VanDerWaalsContact C-N 3.34Å; H291-H293 PolarHBondContact O-N 3.46Å |
| 294 | H | 52.8 | Low | 59.6 | Low | 143 Ų | 143 | 133.3 Ų | 133.3 | 66% | 0.662 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -94.7 | -27 | -178.2 | -83.7 | -81.2 | 0 | 0 | 0 | 115 | M296 H297 S298 | H294-M296 PolarHBondContact O-N 2.86Å; H294-H297 PolarHBondContact O-N 3.29Å; H294-S298 PolarHBondContact O-N 2.82Å; H294-S298 PolarHBondContact O-OG 3.45Å |
| 295 | H | 54.7 | Low | 61.6 | Low | 144 Ų | 144 | 132.9 Ų | 132.9 | 67% | 0.667 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -68.8 | -27.2 | -170.9 | -169.3 | -61.9 | 0 | 0 | 0 | 114.5 | S298 S299 | H295-S298 PolarHBondContact O-OG 3.21Å; H295-S299 PolarHBondContact O-N 2.9Å |
| 296 | M | 58.6 | Low | 63.8 | Low | 123 Ų | 123 | 122.7 Ų | 122.7 | 61% | 0.606 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -76.5 | -39.4 | 175.5 | -75.1 | -72.1 | 99.9 | 0 | 0 | 111.7 | H294 S299 W300 | H294-M296 PolarHBondContact O-N 2.86Å; M296-S299 PolarHBondContact O-N 2.87Å; M296-W300 PolarHBondContact O-N 3.01Å |
| 297 | H | 60.2 | Low | 66.3 | Low | 124 Ų | 124 | 119.6 Ų | 119.6 | 57% | 0.574 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -61.7 | -53.4 | 177.4 | -155.4 | 70.5 | 0 | 0 | 0 | 109.9 | H294 S299 W300 D301 | H294-H297 PolarHBondContact O-N 3.29Å; H297-S299 PolarHBondContact O-N 3.02Å; H297-W300 PolarHBondContact O-N 2.83Å; H297-D301 IonicContact CD2-OD1 3.82Å; H297-D301 IonicContact CD2-OD2 3.1Å; H297-D301 PolarHBondContact CD2-OD2 3.32Å; H297-D301 IonicContact CG-OD2 3.65Å; H297-D301 IonicContact NE2-OD1 3.91Å; H297-D301 IonicContact NE2-OD2 3.88Å; H297-D301 PolarHBondContact O-N 2.88Å; H297-D301 VanDerWaalsContact O-OD2 3.05Å |
| 298 | S | 68.9 | Low | 68.8 | Low | 58 Ų | 58 | 118 Ų | 118 | 41% | 0.406 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -57.6 | -28.7 | 179.1 | 59.7 | 0 | 0 | 0 | 0 | 114.5 | H294 H295 S302 | H294-S298 PolarHBondContact O-N 2.82Å; H294-S298 PolarHBondContact O-OG 3.45Å; H295-S298 PolarHBondContact O-OG 3.21Å; S298-S302 WeakPolarHBondContact O-CB 3.35Å; S298-S302 PolarHBondContact O-N 3.5Å; S298-S302 PolarHBondContact O-OG 2.87Å |
| 299 | S | 78.1 | Confident | 71.4 | Confident | 65 Ų | 65 | 121 Ų | 121 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -76.5 | -34.3 | 175.8 | -172.4 | 0 | 0 | 0 | 0 | 112.9 | H295 M296 H297 L303 | H295-S299 PolarHBondContact O-N 2.9Å; M296-S299 PolarHBondContact O-N 2.87Å; H297-S299 PolarHBondContact O-N 3.02Å; S299-L303 PolarHBondContact O-N 3.32Å |
| 300 | W | 79.3 | Confident | 73.5 | Confident | 162 Ų | 162 | 117.8 Ų | 117.8 | 61% | 0.614 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -76.5 | -37.9 | 174 | -79.1 | 108.2 | 0 | 0 | 0 | 111.4 | M296 H297 L303 L304 | M296-W300 PolarHBondContact O-N 3.01Å; H297-W300 PolarHBondContact O-N 2.83Å; W300-L303 HydrophobicContact CE3-CD2 3.85Å; W300-L303 HydrophobicContact CZ3-CD2 3.7Å; W300-L303 WeakPolarHBondContact O-CB 3.27Å; W300-L303 PolarHBondContact O-N 3.05Å; W300-L304 WeakPolarHBondContact O-CG 3.07Å; W300-L304 PolarHBondContact O-N 2.93Å |
| 301 | D | 85.3 | Confident | 75.7 | Confident | 69 Ų | 69 | 117 Ų | 117 | 37% | 0.369 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.4 | -45.6 | 173.1 | -56.9 | -32.1 | 0 | 0 | 0 | 110.7 | H297 L303 L304 E305 | H297-D301 IonicContact CD2-OD1 3.82Å; H297-D301 IonicContact CD2-OD2 3.1Å; H297-D301 PolarHBondContact CD2-OD2 3.32Å; H297-D301 IonicContact CG-OD2 3.65Å; H297-D301 IonicContact NE2-OD1 3.91Å; H297-D301 IonicContact NE2-OD2 3.88Å; H297-D301 PolarHBondContact O-N 2.88Å; H297-D301 VanDerWaalsContact O-OD2 3.05Å; D301-L303 VanDerWaalsContact C-N 3.27Å; D301-L303 PolarHBondContact O-N 3.46Å; D301-L304 PolarHBondContact O-N 3.06Å; D301-E305 WeakPolarHBondContact O-CB 3.34Å; D301-E305 PolarHBondContact O-N 3.12Å |
| 302 | S | 84.3 | Confident | 78 | Confident | 85 Ų | 85 | 112.1 Ų | 112.1 | 59% | 0.594 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.6 | -33.6 | 175.4 | -57.1 | 0 | 0 | 0 | 0 | 113 | S298 G306 | S298-S302 WeakPolarHBondContact O-CB 3.35Å; S298-S302 PolarHBondContact O-N 3.5Å; S298-S302 PolarHBondContact O-OG 2.87Å; S302-G306 PolarHBondContact O-N 3.23Å |
| 303 | L | 87.8 | Confident | 80.3 | Confident | 94 Ų | 94 | 105.6 Ų | 105.6 | 49% | 0.492 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -73.6 | -38.9 | 177 | -168.7 | 84.2 | 0 | 0 | 0 | 111.4 | S299 W300 D301 G306 L307 | S299-L303 PolarHBondContact O-N 3.32Å; W300-L303 HydrophobicContact CE3-CD2 3.85Å; W300-L303 HydrophobicContact CZ3-CD2 3.7Å; W300-L303 WeakPolarHBondContact O-CB 3.27Å; W300-L303 PolarHBondContact O-N 3.05Å; D301-L303 VanDerWaalsContact C-N 3.27Å; D301-L303 PolarHBondContact O-N 3.46Å; L303-G306 PolarHBondContact O-N 3.49Å; L303-L307 WeakPolarHBondContact O-CB 3.31Å; L303-L307 WeakPolarHBondContact O-CG 3.4Å; L303-L307 PolarHBondContact O-N 3.47Å |
| 304 | L | 88.8 | Confident | 82.3 | Confident | 106 Ų | 106 | 103.2 Ų | 103.2 | 56% | 0.555 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66 | -43.5 | 175.2 | -80.2 | 161.2 | 0 | 0 | 0 | 111.4 | W300 D301 L307 Q308 | W300-L304 WeakPolarHBondContact O-CG 3.07Å; W300-L304 PolarHBondContact O-N 2.93Å; D301-L304 PolarHBondContact O-N 3.06Å; L304-L307 PolarHBondContact O-N 2.68Å; L304-Q308 WeakPolarHBondContact O-CB 3.31Å; L304-Q308 PolarHBondContact O-N 3.34Å |
| 305 | E | 90.9 | Very high | 84.3 | Confident | 115 Ų | 115 | 99.7 Ų | 99.7 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 174.1 | -166.5 | 63.5 | -149 | 0 | 0 | 110.6 | D301 L307 Q308 E309 | D301-E305 WeakPolarHBondContact O-CB 3.34Å; D301-E305 PolarHBondContact O-N 3.12Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 2.91Å; E305-Q308 CarbonylContact O-C 3.6Å; E305-Q308 WeakPolarHBondContact O-CA 3.35Å; E305-Q308 WeakPolarHBondContact O-CB 3.26Å; E305-Q308 PolarHBondContact O-N 2.8Å; E305-Q308 VanDerWaalsContact O-N 3.08Å; E305-E309 WeakPolarHBondContact O-CB 3.45Å; E305-E309 PolarHBondContact O-N 3.38Å |
| 306 | G | 90.5 | Very high | 86.3 | Confident | 23 Ų | 23 | 99.1 Ų | 99.1 | 24% | 0.237 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -62 | -36.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S302 L303 I310 | S302-G306 PolarHBondContact O-N 3.23Å; L303-G306 PolarHBondContact O-N 3.49Å; G306-I310 WeakPolarHBondContact O-CB 3.31Å; G306-I310 WeakPolarHBondContact O-CD1 3.34Å; G306-I310 WeakPolarHBondContact O-CG1 3.27Å; G306-I310 PolarHBondContact O-N 3.43Å |
| 307 | L | 91.6 | Very high | 88.1 | Confident | 103 Ų | 103 | 98.9 Ų | 98.9 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.6 | -34.9 | 172.3 | -80.2 | 165.8 | 0 | 0 | 0 | 112.4 | L303 L304 E305 K311 | L303-L307 WeakPolarHBondContact O-CB 3.31Å; L303-L307 WeakPolarHBondContact O-CG 3.4Å; L303-L307 PolarHBondContact O-N 3.47Å; L304-L307 PolarHBondContact O-N 2.68Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 2.91Å; L307-K311 WeakPolarHBondContact O-CB 3.41Å; L307-K311 PolarHBondContact O-N 3.49Å |
| 308 | Q | 91.6 | Very high | 89.8 | Confident | 127 Ų | 127 | 99 Ų | 99 | 59% | 0.593 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -71.2 | -39.8 | 175.8 | -174 | 168.4 | -61.6 | 0 | 0 | 111.5 | L304 E305 K311 A312 | L304-Q308 WeakPolarHBondContact O-CB 3.31Å; L304-Q308 PolarHBondContact O-N 3.34Å; E305-Q308 CarbonylContact O-C 3.6Å; E305-Q308 WeakPolarHBondContact O-CA 3.35Å; E305-Q308 WeakPolarHBondContact O-CB 3.26Å; E305-Q308 PolarHBondContact O-N 2.8Å; E305-Q308 VanDerWaalsContact O-N 3.08Å; Q308-K311 PolarHBondContact O-N 2.85Å; Q308-A312 WeakPolarHBondContact O-CB 3.44Å; Q308-A312 PolarHBondContact O-N 2.97Å |
| 309 | E | 93.8 | Very high | 91.2 | Very high | 137 Ų | 137 | 101.1 Ų | 101.1 | 64% | 0.64 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.4 | -45.3 | 172.5 | -174.7 | 179 | -161.6 | 0 | 0 | 111.3 | E305 K311 A312 S313 | E305-E309 WeakPolarHBondContact O-CB 3.45Å; E305-E309 PolarHBondContact O-N 3.38Å; E309-K311 VanDerWaalsContact C-N 3.31Å; E309-K311 PolarHBondContact O-N 3.33Å; E309-A312 PolarHBondContact O-N 3.43Å; E309-S313 WeakPolarHBondContact O-CB 3.42Å; E309-S313 PolarHBondContact O-N 3.33Å; E309-S313 PolarHBondContact O-OG 2.84Å |
| 310 | I | 93.7 | Very high | 92.1 | Very high | 107 Ų | 107 | 100.3 Ų | 100.3 | 55% | 0.549 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 172.6 | -71.5 | 164.1 | 0 | 0 | 0 | 110.3 | G306 A312 S313 Q314 | G306-I310 WeakPolarHBondContact O-CB 3.31Å; G306-I310 WeakPolarHBondContact O-CD1 3.34Å; G306-I310 WeakPolarHBondContact O-CG1 3.27Å; G306-I310 PolarHBondContact O-N 3.43Å; I310-A312 PolarHBondContact O-N 3.44Å; I310-S313 WeakPolarHBondContact CA-OG 3.48Å; I310-S313 PolarHBondContact O-N 2.84Å; I310-S313 PolarHBondContact O-OG 3.33Å; I310-Q314 WeakPolarHBondContact O-CB 3.34Å; I310-Q314 PolarHBondContact O-N 2.85Å |
| 311 | K | 94.3 | Very high | 92.9 | Very high | 146 Ų | 146 | 96.9 Ų | 96.9 | 64% | 0.635 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.5 | -40.1 | 177.2 | -173.3 | 173.6 | -179.9 | 178.4 | 0 | 112.8 | L307 Q308 E309 Q314 T315 | L307-K311 WeakPolarHBondContact O-CB 3.41Å; L307-K311 PolarHBondContact O-N 3.49Å; Q308-K311 PolarHBondContact O-N 2.85Å; E309-K311 VanDerWaalsContact C-N 3.31Å; E309-K311 PolarHBondContact O-N 3.33Å; K311-Q314 WeakPolarHBondContact O-CB 3.28Å; K311-Q314 PolarHBondContact O-N 3.44Å; K311-T315 PolarHBondContact O-N 2.93Å; K311-T315 VanDerWaalsContact O-N 3.09Å; K311-T315 PolarHBondContact O-OG1 2.91Å |
| 312 | A | 94.9 | Very high | 93.5 | Very high | 54 Ų | 54 | 98.7 Ų | 98.7 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.8 | -38.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q308 E309 I310 Q314 T315 H316 | Q308-A312 WeakPolarHBondContact O-CB 3.44Å; Q308-A312 PolarHBondContact O-N 2.97Å; E309-A312 PolarHBondContact O-N 3.43Å; I310-A312 PolarHBondContact O-N 3.44Å; A312-Q314 VanDerWaalsContact C-N 3.34Å; A312-T315 PolarHBondContact O-N 2.82Å; A312-T315 PolarHBondContact O-OG1 2.86Å; A312-H316 WeakPolarHBondContact O-CB 3.38Å; A312-H316 PolarHBondContact O-N 2.99Å |
| 313 | S | 94.1 | Very high | 94.1 | Very high | 62 Ų | 62 | 100.6 Ų | 100.6 | 43% | 0.434 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.7 | -32.1 | 173.6 | 67.5 | 0 | 0 | 0 | 0 | 112.5 | E309 I310 M317 | E309-S313 WeakPolarHBondContact O-CB 3.42Å; E309-S313 PolarHBondContact O-N 3.33Å; E309-S313 PolarHBondContact O-OG 2.84Å; I310-S313 WeakPolarHBondContact CA-OG 3.48Å; I310-S313 PolarHBondContact O-N 2.84Å; I310-S313 PolarHBondContact O-OG 3.33Å; S313-M317 VanDerWaalsContact O-CB 3.28Å; S313-M317 WeakPolarHBondContact O-CB 3.41Å; S313-M317 PolarHBondContact O-N 3.36Å |
| 314 | Q | 94.2 | Very high | 94.5 | Very high | 121 Ų | 121 | 101.8 Ų | 101.8 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.2 | -48.6 | 172 | -176.7 | -177.1 | -9.8 | 0 | 0 | 111.2 | I310 K311 A312 M317 E318 | I310-Q314 WeakPolarHBondContact O-CB 3.34Å; I310-Q314 PolarHBondContact O-N 2.85Å; K311-Q314 WeakPolarHBondContact O-CB 3.28Å; K311-Q314 PolarHBondContact O-N 3.44Å; A312-Q314 VanDerWaalsContact C-N 3.34Å; Q314-M317 PolarHBondContact O-N 2.85Å; Q314-E318 PolarHBondContact O-N 2.87Å |
| 315 | T | 95.7 | Very high | 94.9 | Very high | 68 Ų | 68 | 101.7 Ų | 101.7 | 42% | 0.417 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 177.6 | 50.5 | 0 | 0 | 0 | 0 | 111.7 | K311 A312 M317 E318 D319 | K311-T315 PolarHBondContact O-N 2.93Å; K311-T315 VanDerWaalsContact O-N 3.09Å; K311-T315 PolarHBondContact O-OG1 2.91Å; A312-T315 PolarHBondContact O-N 2.82Å; A312-T315 PolarHBondContact O-OG1 2.86Å; T315-M317 VanDerWaalsContact C-N 3.27Å; T315-M317 PolarHBondContact O-N 3.47Å; T315-E318 WeakPolarHBondContact O-CB 3.36Å; T315-E318 PolarHBondContact O-N 3.48Å; T315-E318 VanDerWaalsContact O-N 3.11Å; T315-D319 VanDerWaalsContact O-CG 3.3Å; T315-D319 PolarHBondContact O-N 3.23Å |
| 316 | H | 96.6 | Very high | 95.2 | Very high | 133 Ų | 133 | 97.9 Ų | 97.9 | 62% | 0.616 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.2 | -35.1 | 175.5 | 176 | -80.3 | 0 | 0 | 0 | 112.7 | A312 A320 | A312-H316 WeakPolarHBondContact O-CB 3.38Å; A312-H316 PolarHBondContact O-N 2.99Å; H316-A320 VanDerWaalsContact O-CB 3.29Å; H316-A320 WeakPolarHBondContact O-CB 3.27Å; H316-A320 PolarHBondContact O-N 2.76Å |
| 317 | M | 95.6 | Very high | 95.6 | Very high | 118 Ų | 118 | 102.8 Ų | 102.8 | 58% | 0.581 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.6 | -36.9 | 175.2 | -169.9 | -175.4 | -53.7 | 0 | 0 | 111.9 | S313 Q314 T315 I321 | S313-M317 VanDerWaalsContact O-CB 3.28Å; S313-M317 WeakPolarHBondContact O-CB 3.41Å; S313-M317 PolarHBondContact O-N 3.36Å; Q314-M317 PolarHBondContact O-N 2.85Å; T315-M317 VanDerWaalsContact C-N 3.27Å; T315-M317 PolarHBondContact O-N 3.47Å; M317-I321 HydrophobicContact CG-CD1 4.11Å; M317-I321 WeakPolarHBondContact O-CB 3.41Å; M317-I321 WeakPolarHBondContact O-CD1 3.43Å; M317-I321 WeakPolarHBondContact O-CG1 3.43Å; M317-I321 PolarHBondContact O-N 3.41Å |
| 318 | E | 96.8 | Very high | 95.9 | Very high | 125 Ų | 125 | 104 Ų | 104 | 58% | 0.584 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.9 | -46.3 | 174.8 | -169.6 | 166.9 | -170.5 | 0 | 0 | 111.1 | Q314 T315 A320 I321 E322 | Q314-E318 PolarHBondContact O-N 2.87Å; T315-E318 WeakPolarHBondContact O-CB 3.36Å; T315-E318 PolarHBondContact O-N 3.48Å; T315-E318 VanDerWaalsContact O-N 3.11Å; E318-A320 PolarHBondContact O-N 2.83Å; E318-I321 PolarHBondContact O-N 3.13Å; E318-E322 PolarHBondContact O-N 3.44Å |
| 319 | D | 97.3 | Very high | 96.2 | Very high | 104 Ų | 104 | 104.4 Ų | 104.4 | 56% | 0.556 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.1 | -48.9 | 173.7 | -64.3 | -32.1 | 0 | 0 | 0 | 111.2 | T315 I321 E322 D323 | T315-D319 VanDerWaalsContact O-CG 3.3Å; T315-D319 PolarHBondContact O-N 3.23Å; D319-I321 VanDerWaalsContact C-N 3.29Å; D319-I321 PolarHBondContact O-N 2.89Å; D319-E322 PolarHBondContact O-N 3.47Å; D319-E322 VanDerWaalsContact O-N 3.15Å; D319-D323 PolarHBondContact O-N 2.88Å |
| 320 | A | 96.6 | Very high | 96.3 | Very high | 47 Ų | 47 | 101.3 Ų | 101.3 | 39% | 0.388 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.5 | -29.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | H316 E318 M324 | H316-A320 VanDerWaalsContact O-CB 3.29Å; H316-A320 WeakPolarHBondContact O-CB 3.27Å; H316-A320 PolarHBondContact O-N 2.76Å; E318-A320 PolarHBondContact O-N 2.83Å; A320-M324 VanDerWaalsContact O-CB 3.28Å; A320-M324 WeakPolarHBondContact O-CB 3.38Å; A320-M324 PolarHBondContact O-N 2.82Å; A320-M324 VanDerWaalsContact O-N 3.08Å |
| 321 | I | 96.8 | Very high | 96.5 | Very high | 91 Ų | 91 | 100.4 Ų | 100.4 | 47% | 0.467 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71.8 | -41 | 173.8 | -74.9 | 165.1 | 0 | 0 | 0 | 110.6 | M317 E318 D319 M324 K325 | M317-I321 HydrophobicContact CG-CD1 4.11Å; M317-I321 WeakPolarHBondContact O-CB 3.41Å; M317-I321 WeakPolarHBondContact O-CD1 3.43Å; M317-I321 WeakPolarHBondContact O-CG1 3.43Å; M317-I321 PolarHBondContact O-N 3.41Å; E318-I321 PolarHBondContact O-N 3.13Å; D319-I321 VanDerWaalsContact C-N 3.29Å; D319-I321 PolarHBondContact O-N 2.89Å; I321-M324 PolarHBondContact O-N 3.13Å; I321-K325 VanDerWaalsContact O-CB 3.24Å; I321-K325 WeakPolarHBondContact O-CB 3.35Å; I321-K325 PolarHBondContact O-N 3.24Å |
| 322 | E | 97.3 | Very high | 96.7 | Very high | 106 Ų | 106 | 101.4 Ų | 101.4 | 50% | 0.495 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.2 | -39 | 178.5 | -167.4 | 59.5 | -150.2 | 0 | 0 | 111.5 | E318 D319 K325 G326 | E318-E322 PolarHBondContact O-N 3.44Å; D319-E322 PolarHBondContact O-N 3.47Å; D319-E322 VanDerWaalsContact O-N 3.15Å; E322-K325 WeakPolarHBondContact O-CB 3.42Å; E322-K325 PolarHBondContact O-N 3.05Å; E322-K325 IonicContact OE1-NZ 2.6Å; E322-K325 PolarHBondContact OE1-NZ 3.33Å; E322-K325 IonicContact OE2-NZ 2.68Å; E322-K325 PolarHBondContact OE2-NZ 3.16Å; E322-G326 PolarHBondContact O-N 3.01Å |
| 323 | D | 97.7 | Very high | 96.9 | Very high | 125 Ų | 125 | 102 Ų | 102 | 67% | 0.668 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.7 | -48.9 | 171 | -84.8 | -9.1 | 0 | 0 | 0 | 111.7 | D319 K325 G326 Q327 | D319-D323 PolarHBondContact O-N 2.88Å; D323-K325 VanDerWaalsContact C-N 3.28Å; D323-K325 PolarHBondContact O-N 3.27Å; D323-G326 PolarHBondContact O-N 2.84Å; D323-Q327 PolarHBondContact O-N 3.43Å |
| 324 | M | 95.9 | Very high | 97 | Very high | 120 Ų | 120 | 106.3 Ų | 106.3 | 59% | 0.591 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62 | -36.3 | 177.1 | 179.9 | 176.5 | 58.2 | 0 | 0 | 112 | A320 I321 L328 | A320-M324 VanDerWaalsContact O-CB 3.28Å; A320-M324 WeakPolarHBondContact O-CB 3.38Å; A320-M324 PolarHBondContact O-N 2.82Å; A320-M324 VanDerWaalsContact O-N 3.08Å; I321-M324 PolarHBondContact O-N 3.13Å; M324-L328 WeakPolarHBondContact O-CB 3.19Å; M324-L328 PolarHBondContact O-N 3.37Å |
| 325 | K | 97.6 | Very high | 97.2 | Very high | 103 Ų | 103 | 105.9 Ų | 105.9 | 45% | 0.448 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 174.7 | 167.1 | 169.2 | 158.2 | -99.5 | 0 | 111.8 | I321 E322 D323 L328 Q329 | I321-K325 VanDerWaalsContact O-CB 3.24Å; I321-K325 WeakPolarHBondContact O-CB 3.35Å; I321-K325 PolarHBondContact O-N 3.24Å; E322-K325 WeakPolarHBondContact O-CB 3.42Å; E322-K325 PolarHBondContact O-N 3.05Å; E322-K325 IonicContact OE1-NZ 2.6Å; E322-K325 PolarHBondContact OE1-NZ 3.33Å; E322-K325 IonicContact OE2-NZ 2.68Å; E322-K325 PolarHBondContact OE2-NZ 3.16Å; D323-K325 VanDerWaalsContact C-N 3.28Å; D323-K325 PolarHBondContact O-N 3.27Å; K325-L328 PolarHBondContact O-N 2.9Å; K325-Q329 WeakPolarHBondContact O-CB 3.38Å; K325-Q329 PolarHBondContact O-N 2.73Å |
| 326 | G | 97.8 | Very high | 97.2 | Very high | 36 Ų | 36 | 105 Ų | 105 | 37% | 0.371 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E322 D323 Q329 S330 | E322-G326 PolarHBondContact O-N 3.01Å; D323-G326 PolarHBondContact O-N 2.84Å; G326-Q329 PolarHBondContact O-N 3Å; G326-S330 PolarHBondContact O-N 3.1Å |
| 327 | Q | 97.6 | Very high | 97.3 | Very high | 125 Ų | 125 | 103.6 Ų | 103.6 | 58% | 0.584 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.3 | -49.7 | 174.7 | -174.1 | 174.6 | 8.9 | 0 | 0 | 111.5 | D323 Q329 S330 D331 | D323-Q327 PolarHBondContact O-N 3.43Å; Q327-Q329 VanDerWaalsContact C-N 3.29Å; Q327-Q329 PolarHBondContact O-N 3.23Å; Q327-S330 WeakPolarHBondContact O-CB 3.41Å; Q327-S330 PolarHBondContact O-N 2.91Å; Q327-S330 VanDerWaalsContact O-N 3.1Å; Q327-D331 PolarHBondContact O-N 3.29Å |
| 328 | L | 97.3 | Very high | 97.4 | Very high | 128 Ų | 128 | 99.7 Ų | 99.7 | 67% | 0.67 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61 | -37.1 | 178.6 | -170.9 | 115.8 | 0 | 0 | 0 | 112.5 | M324 K325 Y332 | M324-L328 WeakPolarHBondContact O-CB 3.19Å; M324-L328 PolarHBondContact O-N 3.37Å; K325-L328 PolarHBondContact O-N 2.9Å; L328-Y332 VanDerWaalsContact O-CB 3.28Å; L328-Y332 WeakPolarHBondContact O-CB 3.3Å; L328-Y332 PolarHBondContact O-N 2.9Å |
| 329 | Q | 97.9 | Very high | 97.4 | Very high | 137 Ų | 137 | 99.1 Ų | 99.1 | 64% | 0.64 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.5 | -37.3 | 175.5 | -173.4 | 172.8 | -6.6 | 0 | 0 | 112 | K325 G326 Q327 S333 | K325-Q329 WeakPolarHBondContact O-CB 3.38Å; K325-Q329 PolarHBondContact O-N 2.73Å; G326-Q329 PolarHBondContact O-N 3Å; Q327-Q329 VanDerWaalsContact C-N 3.29Å; Q327-Q329 PolarHBondContact O-N 3.23Å; Q329-S333 PolarHBondContact O-N 2.98Å; Q329-S333 VanDerWaalsContact O-N 3.16Å |
| 330 | S | 97.9 | Very high | 97.5 | Very high | 71 Ų | 71 | 100.3 Ų | 100.3 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.1 | -50.5 | 173.4 | -169.3 | 0 | 0 | 0 | 0 | 111.3 | G326 Q327 Y332 S333 Y334 | G326-S330 PolarHBondContact O-N 3.1Å; Q327-S330 WeakPolarHBondContact O-CB 3.41Å; Q327-S330 PolarHBondContact O-N 2.91Å; Q327-S330 VanDerWaalsContact O-N 3.1Å; S330-Y332 VanDerWaalsContact C-N 3.31Å; S330-Y332 PolarHBondContact O-N 3.44Å; S330-S333 PolarHBondContact O-N 2.99Å; S330-S333 VanDerWaalsContact O-N 3.09Å; S330-S333 PolarHBondContact O-OG 2.99Å; S330-Y334 PolarHBondContact O-N 2.89Å |
| 331 | D | 97.8 | Very high | 97.5 | Very high | 88 Ų | 88 | 103.2 Ų | 103.2 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 178.8 | -72.1 | -15.7 | 0 | 0 | 0 | 111.8 | Q327 Y334 M335 | Q327-D331 PolarHBondContact O-N 3.29Å; D331-Y334 PolarHBondContact O-N 2.88Å; D331-M335 VanDerWaalsContact O-CB 3.23Å; D331-M335 WeakPolarHBondContact O-CB 3.43Å; D331-M335 PolarHBondContact O-N 3.27Å |
| 332 | Y | 97.8 | Very high | 97.4 | Very high | 168 Ų | 168 | 102.7 Ų | 102.7 | 66% | 0.659 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.9 | -42.9 | 174.4 | 179.1 | -96.7 | 0 | 0 | 0 | 112.3 | L328 S330 T336 | L328-Y332 VanDerWaalsContact O-CB 3.28Å; L328-Y332 WeakPolarHBondContact O-CB 3.3Å; L328-Y332 PolarHBondContact O-N 2.9Å; S330-Y332 VanDerWaalsContact C-N 3.31Å; S330-Y332 PolarHBondContact O-N 3.44Å; Y332-T336 WeakPolarHBondContact O-CB 3.46Å; Y332-T336 PolarHBondContact O-N 3.36Å; Y332-T336 PolarHBondContact O-OG1 3.35Å |
| 333 | S | 97.8 | Very high | 97.4 | Very high | 67 Ų | 67 | 104.9 Ų | 104.9 | 47% | 0.469 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 177.8 | 72.1 | 0 | 0 | 0 | 0 | 112.1 | Q329 S330 T336 Q337 | Q329-S333 PolarHBondContact O-N 2.98Å; Q329-S333 VanDerWaalsContact O-N 3.16Å; S330-S333 PolarHBondContact O-N 2.99Å; S330-S333 VanDerWaalsContact O-N 3.09Å; S330-S333 PolarHBondContact O-OG 2.99Å; S333-T336 PolarHBondContact O-N 3.07Å; S333-Q337 PolarHBondContact O-N 2.89Å |
| 334 | Y | 98.2 | Very high | 97.4 | Very high | 152 Ų | 152 | 105.9 Ų | 105.9 | 60% | 0.596 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.8 | -46.4 | 176.4 | 177 | -104 | 0 | 0 | 0 | 112 | S330 D331 T336 Q337 C338 | S330-Y334 PolarHBondContact O-N 2.89Å; D331-Y334 PolarHBondContact O-N 2.88Å; Y334-T336 VanDerWaalsContact C-N 3.32Å; Y334-T336 PolarHBondContact O-N 2.97Å; Y334-Q337 PolarHBondContact O-N 2.89Å; Y334-C338 PolarHBondContact O-N 3.39Å; Y334-C338 PolarHBondContact O-SG 2.86Å |
| 335 | M | 96.8 | Very high | 97.5 | Very high | 112 Ų | 112 | 108.5 Ų | 108.5 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.3 | -42.3 | 175.5 | -174.7 | 62.7 | 64.4 | 0 | 0 | 111.5 | D331 Q337 C338 L339 | D331-M335 VanDerWaalsContact O-CB 3.23Å; D331-M335 WeakPolarHBondContact O-CB 3.43Å; D331-M335 PolarHBondContact O-N 3.27Å; M335-Q337 PolarHBondContact O-N 3.46Å; M335-C338 PolarHBondContact O-N 2.91Å; M335-L339 HydrophobicContact CG-CD1 4.24Å; M335-L339 VanDerWaalsContact O-CG 3.3Å; M335-L339 WeakPolarHBondContact O-CG 3.37Å; M335-L339 PolarHBondContact O-N 3.28Å |
| 336 | T | 97.4 | Very high | 97.4 | Very high | 48 Ų | 48 | 110.6 Ų | 110.6 | 29% | 0.294 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | Y332 S333 Y334 L339 Q340 | Y332-T336 WeakPolarHBondContact O-CB 3.46Å; Y332-T336 PolarHBondContact O-N 3.36Å; Y332-T336 PolarHBondContact O-OG1 3.35Å; S333-T336 PolarHBondContact O-N 3.07Å; Y334-T336 VanDerWaalsContact C-N 3.32Å; Y334-T336 PolarHBondContact O-N 2.97Å; T336-L339 PolarHBondContact O-N 3.1Å; T336-Q340 WeakPolarHBondContact O-CG 3.36Å; T336-Q340 PolarHBondContact O-N 3.49Å; T336-Q340 VanDerWaalsContact O-N 3.09Å |
| 337 | Q | 97.9 | Very high | 97.4 | Very high | 104 Ų | 104 | 113.1 Ų | 113.1 | 49% | 0.486 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.3 | -48.6 | 175.1 | -179.4 | 177.7 | -16.6 | 0 | 0 | 111.6 | S333 Y334 M335 L339 Q340 E341 | S333-Q337 PolarHBondContact O-N 2.89Å; Y334-Q337 PolarHBondContact O-N 2.89Å; M335-Q337 PolarHBondContact O-N 3.46Å; Q337-L339 VanDerWaalsContact C-N 3.27Å; Q337-L339 PolarHBondContact O-N 2.92Å; Q337-Q340 WeakPolarHBondContact O-CB 3.25Å; Q337-Q340 PolarHBondContact O-N 3.46Å; Q337-E341 HydrophobicContact CG-CG 4.39Å; Q337-E341 WeakPolarHBondContact CG-OE1 3.25Å; Q337-E341 PolarHBondContact NE2-OE1 3.07Å; Q337-E341 WeakPolarHBondContact O-CG 3.46Å; Q337-E341 PolarHBondContact O-N 2.85Å |
| 338 | C | 96.9 | Very high | 97.4 | Very high | 37 Ų | 37 | 113.3 Ų | 113.3 | 25% | 0.25 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -57.1 | -40.4 | 178 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | Y334 M335 E341 E342 | Y334-C338 PolarHBondContact O-N 3.39Å; Y334-C338 PolarHBondContact O-SG 2.86Å; M335-C338 PolarHBondContact O-N 2.91Å; C338-E341 PolarHBondContact O-N 3.35Å; C338-E342 WeakPolarHBondContact O-CB 3.11Å; C338-E342 PolarHBondContact O-N 2.93Å |
| 339 | L | 98.1 | Very high | 97.4 | Very high | 112 Ų | 112 | 112.2 Ų | 112.2 | 59% | 0.586 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.2 | -34.3 | 175.7 | -71.5 | 171 | 0 | 0 | 0 | 112.9 | M335 T336 Q337 R343 | M335-L339 HydrophobicContact CG-CD1 4.24Å; M335-L339 VanDerWaalsContact O-CG 3.3Å; M335-L339 WeakPolarHBondContact O-CG 3.37Å; M335-L339 PolarHBondContact O-N 3.28Å; T336-L339 PolarHBondContact O-N 3.1Å; Q337-L339 VanDerWaalsContact C-N 3.27Å; Q337-L339 PolarHBondContact O-N 2.92Å; L339-R343 WeakPolarHBondContact O-CB 3.38Å; L339-R343 PolarHBondContact O-N 3.41Å |
| 340 | Q | 97.7 | Very high | 97.4 | Very high | 129 Ų | 129 | 112.2 Ų | 112.2 | 60% | 0.603 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -71.2 | -41.3 | 174.2 | -73.7 | -178.7 | -2.5 | 0 | 0 | 112.3 | T336 Q337 R343 Y344 | T336-Q340 WeakPolarHBondContact O-CG 3.36Å; T336-Q340 PolarHBondContact O-N 3.49Å; T336-Q340 VanDerWaalsContact O-N 3.09Å; Q337-Q340 WeakPolarHBondContact O-CB 3.25Å; Q337-Q340 PolarHBondContact O-N 3.46Å; Q340-R343 PolarHBondContact O-N 3.44Å; Q340-Y344 PolarHBondContact O-N 2.86Å |
| 341 | E | 97.4 | Very high | 97.4 | Very high | 108 Ų | 108 | 114.6 Ų | 114.6 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 176.4 | -72 | 178.3 | -167.8 | 0 | 0 | 111.4 | Q337 C338 Y344 R345 | Q337-E341 HydrophobicContact CG-CG 4.39Å; Q337-E341 WeakPolarHBondContact CG-OE1 3.25Å; Q337-E341 PolarHBondContact NE2-OE1 3.07Å; Q337-E341 WeakPolarHBondContact O-CG 3.46Å; Q337-E341 PolarHBondContact O-N 2.85Å; C338-E341 PolarHBondContact O-N 3.35Å; E341-Y344 PolarHBondContact O-N 3.44Å; E341-R345 WeakPolarHBondContact O-CB 3.42Å; E341-R345 PolarHBondContact O-N 3.41Å |
| 342 | E | 94.3 | Very high | 97.4 | Very high | 80 Ų | 80 | 115.3 Ų | 115.3 | 37% | 0.374 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 172 | -80.8 | -69 | 116.1 | 0 | 0 | 111.4 | C338 Y344 R345 Y346 | C338-E342 WeakPolarHBondContact O-CB 3.11Å; C338-E342 PolarHBondContact O-N 2.93Å; E342-Y344 VanDerWaalsContact C-N 3.33Å; E342-Y344 PolarHBondContact O-N 3.29Å; E342-R345 CarbonylContact O-C 3.55Å; E342-R345 WeakPolarHBondContact O-CA 3.36Å; E342-R345 WeakPolarHBondContact O-CB 3.47Å; E342-R345 PolarHBondContact O-N 3.09Å; E342-R345 VanDerWaalsContact O-N 3.07Å; E342-Y346 HydrophobicContact CB-CD2 4.45Å; E342-Y346 HydrophobicContact CB-CE2 4.25Å; E342-Y346 WeakPolarHBondContact O-CD2 3.44Å; E342-Y346 PolarHBondContact O-N 2.84Å; E342-Y346 WeakPolarHBondContact OE2-CE2 3.46Å |
| 343 | R | 97.6 | Very high | 97.3 | Very high | 153 Ų | 153 | 112.4 Ų | 112.4 | 58% | 0.577 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -54.8 | -47.7 | 175.6 | 179.8 | -176.1 | 171 | -69.9 | -17.3 | 111.7 | L339 Q340 R345 Y346 E347 | L339-R343 WeakPolarHBondContact O-CB 3.38Å; L339-R343 PolarHBondContact O-N 3.41Å; Q340-R343 PolarHBondContact O-N 3.44Å; R343-R345 VanDerWaalsContact C-N 3.32Å; R343-R345 PolarHBondContact O-N 3.12Å; R343-Y346 PolarHBondContact O-N 3.33Å; R343-E347 IonicContact CZ-OE1 3.99Å; R343-E347 IonicContact CZ-OE2 3.25Å; R343-E347 VanDerWaalsContact CZ-OE2 3.25Å; R343-E347 IonicContact NH1-OE2 2.8Å; R343-E347 PolarHBondContact NH1-OE2 3.06Å; R343-E347 IonicContact NH2-OE1 3.11Å; R343-E347 PolarHBondContact NH2-OE1 3.08Å; R343-E347 VanDerWaalsContact NH2-OE1 3.11Å; R343-E347 IonicContact NH2-OE2 3.11Å; R343-E347 PolarHBondContact NH2-OE2 3.42Å; R343-E347 VanDerWaalsContact NH2-OE2 3.11Å; R343-E347 WeakPolarHBondContact O-CB 3.3Å; R343-E347 PolarHBondContact O-N 2.86Å |
| 344 | Y | 97.6 | Very high | 97.4 | Very high | 146 Ų | 146 | 113.7 Ų | 113.7 | 57% | 0.573 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.5 | -38.3 | 177.5 | 177.6 | -102.7 | 0 | 0 | 0 | 112.1 | Q340 E341 E342 E347 R348 | Q340-Y344 PolarHBondContact O-N 2.86Å; E341-Y344 PolarHBondContact O-N 3.44Å; E342-Y344 VanDerWaalsContact C-N 3.33Å; E342-Y344 PolarHBondContact O-N 3.29Å; Y344-E347 PolarHBondContact O-N 3.12Å; Y344-R348 WeakPolarHBondContact O-CB 3.39Å; Y344-R348 PolarHBondContact O-N 3.31Å |
| 345 | R | 97.6 | Very high | 97.4 | Very high | 174 Ų | 174 | 111 Ų | 111 | 66% | 0.657 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.5 | -41.8 | 175.4 | -171.2 | -178.1 | -172.2 | 138.4 | 5.3 | 112.2 | E341 E342 R343 L349 | E341-R345 WeakPolarHBondContact O-CB 3.42Å; E341-R345 PolarHBondContact O-N 3.41Å; E342-R345 CarbonylContact O-C 3.55Å; E342-R345 WeakPolarHBondContact O-CA 3.36Å; E342-R345 WeakPolarHBondContact O-CB 3.47Å; E342-R345 PolarHBondContact O-N 3.09Å; E342-R345 VanDerWaalsContact O-N 3.07Å; R343-R345 VanDerWaalsContact C-N 3.32Å; R343-R345 PolarHBondContact O-N 3.12Å; R345-L349 WeakPolarHBondContact O-CB 3.34Å; R345-L349 PolarHBondContact O-N 2.98Å |
| 346 | Y | 97.3 | Very high | 97.4 | Very high | 147 Ų | 147 | 110.9 Ų | 110.9 | 58% | 0.576 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.3 | -48.9 | 173.7 | -78 | -70.5 | 0 | 0 | 0 | 111.5 | E342 R343 R348 L349 E350 | E342-Y346 HydrophobicContact CB-CD2 4.45Å; E342-Y346 HydrophobicContact CB-CE2 4.25Å; E342-Y346 WeakPolarHBondContact O-CD2 3.44Å; E342-Y346 PolarHBondContact O-N 2.84Å; E342-Y346 WeakPolarHBondContact OE2-CE2 3.46Å; R343-Y346 PolarHBondContact O-N 3.33Å; Y346-R348 VanDerWaalsContact C-N 3.3Å; Y346-R348 PolarHBondContact O-N 3.05Å; Y346-L349 PolarHBondContact O-N 2.92Å; Y346-E350 WeakPolarHBondContact O-CB 3.49Å; Y346-E350 PolarHBondContact O-N 3.32Å |
| 347 | E | 97.6 | Very high | 97.3 | Very high | 90 Ų | 90 | 112.2 Ų | 112.2 | 42% | 0.421 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.1 | -42.6 | -179.5 | -167.5 | 161.7 | -152.5 | 0 | 0 | 111.2 | R343 Y344 E351 | R343-E347 IonicContact CZ-OE1 3.99Å; R343-E347 IonicContact CZ-OE2 3.25Å; R343-E347 VanDerWaalsContact CZ-OE2 3.25Å; R343-E347 IonicContact NH1-OE2 2.8Å; R343-E347 PolarHBondContact NH1-OE2 3.06Å; R343-E347 IonicContact NH2-OE1 3.11Å; R343-E347 PolarHBondContact NH2-OE1 3.08Å; R343-E347 VanDerWaalsContact NH2-OE1 3.11Å; R343-E347 IonicContact NH2-OE2 3.11Å; R343-E347 PolarHBondContact NH2-OE2 3.42Å; R343-E347 VanDerWaalsContact NH2-OE2 3.11Å; R343-E347 WeakPolarHBondContact O-CB 3.3Å; R343-E347 PolarHBondContact O-N 2.86Å; Y344-E347 PolarHBondContact O-N 3.12Å; E347-E351 PolarHBondContact O-N 2.96Å; E347-E351 VanDerWaalsContact O-N 3.1Å |
| 348 | R | 96.8 | Very high | 97.3 | Very high | 129 Ų | 129 | 113.4 Ų | 113.4 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69 | -36.4 | 173.7 | -176 | 179.5 | 174.3 | 82 | 4.4 | 113.8 | Y344 Y346 Q352 | Y344-R348 WeakPolarHBondContact O-CB 3.39Å; Y344-R348 PolarHBondContact O-N 3.31Å; Y346-R348 VanDerWaalsContact C-N 3.3Å; Y346-R348 PolarHBondContact O-N 3.05Å; R348-Q352 WeakPolarHBondContact O-CG 3.43Å; R348-Q352 PolarHBondContact O-N 3.47Å |
| 349 | L | 97.6 | Very high | 97.4 | Very high | 104 Ų | 104 | 116 Ų | 116 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -72.9 | -33.7 | 178.7 | -168.6 | 72.1 | 0 | 0 | 0 | 111.4 | R345 Y346 Q352 L353 | R345-L349 WeakPolarHBondContact O-CB 3.34Å; R345-L349 PolarHBondContact O-N 2.98Å; Y346-L349 PolarHBondContact O-N 2.92Å; L349-Q352 PolarHBondContact O-N 2.86Å; L349-L353 WeakPolarHBondContact O-CB 3.46Å; L349-L353 PolarHBondContact O-N 3.4Å |
| 350 | E | 97.3 | Very high | 97.3 | Very high | 138 Ų | 138 | 115.6 Ų | 115.6 | 65% | 0.645 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.7 | -44.6 | 173.6 | -176.8 | 170.5 | -155.8 | 0 | 0 | 111.1 | Y346 Q352 L353 N354 | Y346-E350 WeakPolarHBondContact O-CB 3.49Å; Y346-E350 PolarHBondContact O-N 3.32Å; E350-Q352 PolarHBondContact O-N 3.17Å; E350-L353 PolarHBondContact O-N 3.38Å; E350-N354 WeakPolarHBondContact O-CB 3.45Å; E350-N354 PolarHBondContact O-N 2.95Å |
| 351 | E | 97.6 | Very high | 97.3 | Very high | 120 Ų | 120 | 115.7 Ų | 115.7 | 56% | 0.561 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -56.5 | -49.2 | 172.1 | -171.1 | 177.1 | -144.4 | 0 | 0 | 111.3 | E347 L353 N354 D355 | E347-E351 PolarHBondContact O-N 2.96Å; E347-E351 VanDerWaalsContact O-N 3.1Å; E351-L353 VanDerWaalsContact C-N 3.35Å; E351-L353 PolarHBondContact O-N 2.88Å; E351-N354 WeakPolarHBondContact O-CB 3.23Å; E351-N354 PolarHBondContact O-N 2.92Å; E351-D355 PolarHBondContact O-N 3.47Å |
| 352 | Q | 97.9 | Very high | 97.3 | Very high | 103 Ų | 103 | 115.4 Ų | 115.4 | 48% | 0.481 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.2 | -36 | 176.8 | -71.4 | -173.8 | -38.5 | 0 | 0 | 113.8 | R348 L349 E350 L356 | R348-Q352 WeakPolarHBondContact O-CG 3.43Å; R348-Q352 PolarHBondContact O-N 3.47Å; L349-Q352 PolarHBondContact O-N 2.86Å; E350-Q352 PolarHBondContact O-N 3.17Å; Q352-L356 WeakPolarHBondContact O-CB 3.44Å; Q352-L356 PolarHBondContact O-N 2.91Å; Q352-L356 VanDerWaalsContact O-N 3.17Å |
| 353 | L | 97.1 | Very high | 97.3 | Very high | 108 Ų | 108 | 116.5 Ų | 116.5 | 57% | 0.565 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.7 | -39 | 175.3 | -174.2 | 74.6 | 0 | 0 | 0 | 110.9 | L349 E350 E351 T357 | L349-L353 WeakPolarHBondContact O-CB 3.46Å; L349-L353 PolarHBondContact O-N 3.4Å; E350-L353 PolarHBondContact O-N 3.38Å; E351-L353 VanDerWaalsContact C-N 3.35Å; E351-L353 PolarHBondContact O-N 2.88Å; L353-T357 WeakPolarHBondContact O-CB 3.4Å; L353-T357 PolarHBondContact O-N 3.39Å; L353-T357 PolarHBondContact O-OG1 3.22Å |
| 354 | N | 98.1 | Very high | 97.3 | Very high | 94 Ų | 94 | 113 Ų | 113 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65 | -49.3 | 177.6 | -175.1 | 78.6 | 0 | 0 | 0 | 111.1 | E350 E351 L356 T357 E358 | E350-N354 WeakPolarHBondContact O-CB 3.45Å; E350-N354 PolarHBondContact O-N 2.95Å; E351-N354 WeakPolarHBondContact O-CB 3.23Å; E351-N354 PolarHBondContact O-N 2.92Å; N354-L356 VanDerWaalsContact C-N 3.32Å; N354-L356 PolarHBondContact O-N 2.9Å; N354-T357 WeakPolarHBondContact O-CB 3.28Å; N354-T357 PolarHBondContact O-N 2.74Å; N354-E358 PolarHBondContact O-N 3.49Å |
| 355 | D | 98.2 | Very high | 97.2 | Very high | 96 Ų | 96 | 109.5 Ų | 109.5 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -55.6 | -45.6 | 175.7 | -72.1 | -9.3 | 0 | 0 | 0 | 111.9 | E351 T357 E358 L359 | E351-D355 PolarHBondContact O-N 3.47Å; D355-T357 VanDerWaalsContact C-N 3.32Å; D355-T357 PolarHBondContact O-N 3.44Å; D355-E358 PolarHBondContact O-N 3.07Å; D355-L359 WeakPolarHBondContact O-CB 3.28Å; D355-L359 PolarHBondContact O-N 3.22Å |
| 356 | L | 97.2 | Very high | 97.2 | Very high | 108 Ų | 108 | 105 Ų | 105 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.8 | -36.9 | 177 | -177.8 | 62.8 | 0 | 0 | 0 | 111.9 | Q352 N354 H360 | Q352-L356 WeakPolarHBondContact O-CB 3.44Å; Q352-L356 PolarHBondContact O-N 2.91Å; Q352-L356 VanDerWaalsContact O-N 3.17Å; N354-L356 VanDerWaalsContact C-N 3.32Å; N354-L356 PolarHBondContact O-N 2.9Å; L356-H360 VanDerWaalsContact O-CB 3.24Å; L356-H360 WeakPolarHBondContact O-CB 3.3Å; L356-H360 PolarHBondContact O-N 3.35Å |
| 357 | T | 95.8 | Very high | 97.3 | Very high | 76 Ų | 76 | 103.3 Ų | 103.3 | 47% | 0.466 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.2 | -42.7 | 179 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | L353 N354 D355 H360 Q361 | L353-T357 WeakPolarHBondContact O-CB 3.4Å; L353-T357 PolarHBondContact O-N 3.39Å; L353-T357 PolarHBondContact O-OG1 3.22Å; N354-T357 WeakPolarHBondContact O-CB 3.28Å; N354-T357 PolarHBondContact O-N 2.74Å; D355-T357 VanDerWaalsContact C-N 3.32Å; D355-T357 PolarHBondContact O-N 3.44Å; T357-H360 PolarHBondContact O-N 2.93Å; T357-Q361 VanDerWaalsContact O-CB 3.27Å; T357-Q361 WeakPolarHBondContact O-CB 3.41Å; T357-Q361 PolarHBondContact O-N 3.44Å |
| 358 | E | 98.1 | Very high | 97.3 | Very high | 130 Ų | 130 | 105 Ų | 105 | 61% | 0.607 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.6 | -45.3 | 175.4 | -174.3 | 173.2 | 166.2 | 0 | 0 | 111.2 | N354 D355 Q361 N362 | N354-E358 PolarHBondContact O-N 3.49Å; D355-E358 PolarHBondContact O-N 3.07Å; E358-Q361 PolarHBondContact O-N 3.28Å; E358-N362 WeakPolarHBondContact O-CB 3.4Å; E358-N362 PolarHBondContact O-N 2.91Å |
| 359 | L | 98.3 | Very high | 97.3 | Very high | 90 Ų | 90 | 105.7 Ų | 105.7 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.7 | -49.8 | 174.6 | 179.7 | 62.8 | 0 | 0 | 0 | 111.6 | D355 Q361 N362 E363 | D355-L359 WeakPolarHBondContact O-CB 3.28Å; D355-L359 PolarHBondContact O-N 3.22Å; L359-Q361 VanDerWaalsContact C-N 3.31Å; L359-Q361 PolarHBondContact O-N 3.13Å; L359-N362 WeakPolarHBondContact O-CB 3.4Å; L359-N362 PolarHBondContact O-N 3.05Å; L359-N362 VanDerWaalsContact O-N 3.17Å; L359-E363 HydrophobicContact CD1-CG 4.27Å; L359-E363 HydrophobicContact CG-CG 4.49Å; L359-E363 WeakPolarHBondContact O-CG 3.44Å; L359-E363 PolarHBondContact O-N 2.97Å |
| 360 | H | 96.4 | Very high | 97.3 | Very high | 105 Ų | 105 | 106.1 Ų | 106.1 | 49% | 0.486 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.2 | -37.8 | -179.9 | -174.5 | 65.9 | 0 | 0 | 0 | 112.3 | L356 T357 M364 | L356-H360 VanDerWaalsContact O-CB 3.24Å; L356-H360 WeakPolarHBondContact O-CB 3.3Å; L356-H360 PolarHBondContact O-N 3.35Å; T357-H360 PolarHBondContact O-N 2.93Å; H360-M364 WeakPolarHBondContact NE2-CE 3.4Å; H360-M364 VanDerWaalsContact O-CB 3.25Å; H360-M364 WeakPolarHBondContact O-CB 3.24Å; H360-M364 PolarHBondContact O-N 3.45Å |
| 361 | Q | 97.6 | Very high | 97.3 | Very high | 131 Ų | 131 | 104.5 Ų | 104.5 | 61% | 0.612 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.5 | -45.1 | 173.8 | -178.9 | 172.1 | -13.5 | 0 | 0 | 111 | T357 E358 L359 M364 T365 | T357-Q361 VanDerWaalsContact O-CB 3.27Å; T357-Q361 WeakPolarHBondContact O-CB 3.41Å; T357-Q361 PolarHBondContact O-N 3.44Å; E358-Q361 PolarHBondContact O-N 3.28Å; L359-Q361 VanDerWaalsContact C-N 3.31Å; L359-Q361 PolarHBondContact O-N 3.13Å; Q361-M364 PolarHBondContact O-N 2.86Å; Q361-T365 WeakPolarHBondContact O-CG2 3.47Å; Q361-T365 PolarHBondContact O-N 3.46Å; Q361-T365 PolarHBondContact O-OG1 3.49Å |
| 362 | N | 97.3 | Very high | 97.3 | Very high | 102 Ų | 102 | 101.3 Ų | 101.3 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -51.3 | 178.1 | -171.8 | 7.4 | 0 | 0 | 0 | 111.7 | E358 L359 M364 T365 N366 | E358-N362 WeakPolarHBondContact O-CB 3.4Å; E358-N362 PolarHBondContact O-N 2.91Å; L359-N362 WeakPolarHBondContact O-CB 3.4Å; L359-N362 PolarHBondContact O-N 3.05Å; L359-N362 VanDerWaalsContact O-N 3.17Å; N362-M364 VanDerWaalsContact C-N 3.31Å; N362-M364 PolarHBondContact O-N 2.72Å; N362-T365 WeakPolarHBondContact CA-OG1 3.5Å; N362-T365 PolarHBondContact O-N 3.06Å; N362-T365 PolarHBondContact O-OG1 2.98Å; N362-N366 PolarHBondContact O-N 2.85Å |
| 363 | E | 95.7 | Very high | 97.2 | Very high | 103 Ų | 103 | 98.4 Ų | 98.4 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -55 | -45.6 | 174.4 | -72.9 | -177.5 | 165 | 0 | 0 | 111.7 | L359 T365 N366 L367 | L359-E363 HydrophobicContact CD1-CG 4.27Å; L359-E363 HydrophobicContact CG-CG 4.49Å; L359-E363 WeakPolarHBondContact O-CG 3.44Å; L359-E363 PolarHBondContact O-N 2.97Å; E363-T365 VanDerWaalsContact C-N 3.34Å; E363-T365 PolarHBondContact O-N 3.45Å; E363-N366 PolarHBondContact O-N 3.42Å; E363-L367 WeakPolarHBondContact O-CB 3.42Å; E363-L367 WeakPolarHBondContact O-CG 3.41Å; E363-L367 PolarHBondContact O-N 3.34Å |
| 364 | M | 95.7 | Very high | 97.2 | Very high | 79 Ų | 79 | 98.6 Ų | 98.6 | 39% | 0.389 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.3 | -35.8 | 177.5 | -172.1 | 179.8 | -65.4 | 0 | 0 | 112.4 | H360 Q361 N362 K368 | H360-M364 WeakPolarHBondContact NE2-CE 3.4Å; H360-M364 VanDerWaalsContact O-CB 3.25Å; H360-M364 WeakPolarHBondContact O-CB 3.24Å; H360-M364 PolarHBondContact O-N 3.45Å; Q361-M364 PolarHBondContact O-N 2.86Å; N362-M364 VanDerWaalsContact C-N 3.31Å; N362-M364 PolarHBondContact O-N 2.72Å; M364-K368 HydrophobicContact CG-CD 4.23Å; M364-K368 WeakPolarHBondContact O-CB 3.32Å; M364-K368 WeakPolarHBondContact O-CD 3.42Å; M364-K368 WeakPolarHBondContact O-CG 3.39Å; M364-K368 PolarHBondContact O-N 3.41Å; M364-K368 VanDerWaalsContact O-N 3.07Å; M364-K368 PolarHBondContact SD-NZ 3.08Å |
| 365 | T | 96.9 | Very high | 97.1 | Very high | 72 Ų | 72 | 100.5 Ų | 100.5 | 44% | 0.442 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.6 | -40.1 | 174 | 50.9 | 0 | 0 | 0 | 0 | 112.3 | Q361 N362 E363 K368 Q369 | Q361-T365 WeakPolarHBondContact O-CG2 3.47Å; Q361-T365 PolarHBondContact O-N 3.46Å; Q361-T365 PolarHBondContact O-OG1 3.49Å; N362-T365 WeakPolarHBondContact CA-OG1 3.5Å; N362-T365 PolarHBondContact O-N 3.06Å; N362-T365 PolarHBondContact O-OG1 2.98Å; E363-T365 VanDerWaalsContact C-N 3.34Å; E363-T365 PolarHBondContact O-N 3.45Å; T365-K368 PolarHBondContact O-N 3.05Å; T365-Q369 PolarHBondContact O-N 3.17Å |
| 366 | N | 97.8 | Very high | 97.1 | Very high | 81 Ų | 81 | 102.7 Ų | 102.7 | 43% | 0.433 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.7 | -50 | 176.4 | -171.1 | 17.1 | 0 | 0 | 0 | 111 | N362 E363 K368 Q369 E370 | N362-N366 PolarHBondContact O-N 2.85Å; E363-N366 PolarHBondContact O-N 3.42Å; N366-K368 VanDerWaalsContact C-N 3.29Å; N366-K368 PolarHBondContact O-N 3.05Å; N366-Q369 CarbonylContact O-C 3.58Å; N366-Q369 WeakPolarHBondContact O-CA 3.39Å; N366-Q369 WeakPolarHBondContact O-CB 3.38Å; N366-Q369 PolarHBondContact O-N 3.11Å; N366-E370 PolarHBondContact O-N 2.85Å |
| 367 | L | 98 | Very high | 97.1 | Very high | 111 Ų | 111 | 104 Ų | 104 | 58% | 0.581 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59 | -36.7 | 176.2 | -71 | 172.4 | 0 | 0 | 0 | 112.8 | E363 L371 | E363-L367 WeakPolarHBondContact O-CB 3.42Å; E363-L367 WeakPolarHBondContact O-CG 3.41Å; E363-L367 PolarHBondContact O-N 3.34Å; L367-L371 VanDerWaalsContact O-CB 3.23Å; L367-L371 WeakPolarHBondContact O-CB 3.49Å; L367-L371 PolarHBondContact O-N 3.35Å |
| 368 | K | 97.8 | Very high | 97.1 | Very high | 124 Ų | 124 | 104.5 Ų | 104.5 | 54% | 0.539 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 172.8 | -77.6 | 168.1 | -177.9 | 165.8 | 0 | 112.2 | M364 T365 N366 A372 | M364-K368 HydrophobicContact CG-CD 4.23Å; M364-K368 WeakPolarHBondContact O-CB 3.32Å; M364-K368 WeakPolarHBondContact O-CD 3.42Å; M364-K368 WeakPolarHBondContact O-CG 3.39Å; M364-K368 PolarHBondContact O-N 3.41Å; M364-K368 VanDerWaalsContact O-N 3.07Å; M364-K368 PolarHBondContact SD-NZ 3.08Å; T365-K368 PolarHBondContact O-N 3.05Å; N366-K368 VanDerWaalsContact C-N 3.29Å; N366-K368 PolarHBondContact O-N 3.05Å; K368-A372 WeakPolarHBondContact O-CB 3.18Å; K368-A372 PolarHBondContact O-N 2.83Å |
| 369 | Q | 97.9 | Very high | 97 | Very high | 144 Ų | 144 | 100.1 Ų | 100.1 | 67% | 0.673 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70 | -41.9 | 177.1 | -176.5 | 174.4 | -9 | 0 | 0 | 111.9 | T365 N366 A372 S373 | T365-Q369 PolarHBondContact O-N 3.17Å; N366-Q369 CarbonylContact O-C 3.58Å; N366-Q369 WeakPolarHBondContact O-CA 3.39Å; N366-Q369 WeakPolarHBondContact O-CB 3.38Å; N366-Q369 PolarHBondContact O-N 3.11Å; Q369-A372 PolarHBondContact O-N 3.34Å; Q369-S373 WeakPolarHBondContact O-CB 3.28Å; Q369-S373 PolarHBondContact O-N 3.02Å |
| 370 | E | 97.2 | Very high | 97 | Very high | 113 Ų | 113 | 104 Ų | 104 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 172.6 | -70.8 | -170.7 | 161.2 | 0 | 0 | 111.6 | N366 S373 M374 | N366-E370 PolarHBondContact O-N 2.85Å; E370-S373 PolarHBondContact O-N 2.91Å; E370-M374 WeakPolarHBondContact O-CB 3.38Å; E370-M374 PolarHBondContact O-N 3.13Å |
| 371 | L | 96.9 | Very high | 97 | Very high | 105 Ų | 105 | 103.5 Ų | 103.5 | 55% | 0.55 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.8 | -48 | 175.6 | -174.8 | 70.9 | 0 | 0 | 0 | 111.4 | L367 S373 M374 E375 | L367-L371 VanDerWaalsContact O-CB 3.23Å; L367-L371 WeakPolarHBondContact O-CB 3.49Å; L367-L371 PolarHBondContact O-N 3.35Å; L371-S373 PolarHBondContact O-N 2.8Å; L371-M374 HydrophobicContact CD1-CE 4.15Å; L371-M374 PolarHBondContact O-N 2.91Å; L371-E375 WeakPolarHBondContact O-CB 3.33Å; L371-E375 PolarHBondContact O-N 2.93Å |
| 372 | A | 97.1 | Very high | 96.8 | Very high | 52 Ų | 52 | 100.4 Ų | 100.4 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K368 Q369 M374 E375 E376 | K368-A372 WeakPolarHBondContact O-CB 3.18Å; K368-A372 PolarHBondContact O-N 2.83Å; Q369-A372 PolarHBondContact O-N 3.34Å; A372-M374 VanDerWaalsContact C-N 3.34Å; A372-M374 PolarHBondContact O-N 3.39Å; A372-E375 PolarHBondContact O-N 3.17Å; A372-E376 PolarHBondContact O-N 3.36Å |
| 373 | S | 97.1 | Very high | 96.7 | Very high | 43 Ų | 43 | 104 Ų | 104 | 30% | 0.301 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 174.9 | -174.8 | 0 | 0 | 0 | 0 | 112.4 | Q369 E370 L371 K377 | Q369-S373 WeakPolarHBondContact O-CB 3.28Å; Q369-S373 PolarHBondContact O-N 3.02Å; E370-S373 PolarHBondContact O-N 2.91Å; L371-S373 PolarHBondContact O-N 2.8Å; S373-K377 WeakPolarHBondContact O-CD 3.24Å; S373-K377 VanDerWaalsContact O-CG 3.24Å; S373-K377 WeakPolarHBondContact O-CG 3.46Å; S373-K377 PolarHBondContact O-N 3.49Å; S373-K377 VanDerWaalsContact O-N 3.16Å; S373-K377 PolarHBondContact OG-NZ 3.18Å |
| 374 | M | 96.3 | Very high | 96.8 | Very high | 112 Ų | 112 | 103.7 Ų | 103.7 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -71.3 | -40.1 | 175.9 | -175.1 | 169.9 | 59.6 | 0 | 0 | 111.5 | E370 L371 A372 K377 V378 | E370-M374 WeakPolarHBondContact O-CB 3.38Å; E370-M374 PolarHBondContact O-N 3.13Å; L371-M374 HydrophobicContact CD1-CE 4.15Å; L371-M374 PolarHBondContact O-N 2.91Å; A372-M374 VanDerWaalsContact C-N 3.34Å; A372-M374 PolarHBondContact O-N 3.39Å; M374-K377 PolarHBondContact O-N 3.23Å; M374-V378 HydrophobicContact CG-CG2 4.34Å; M374-V378 WeakPolarHBondContact O-CB 3.25Å; M374-V378 VanDerWaalsContact O-CG2 3.28Å; M374-V378 WeakPolarHBondContact O-CG2 3.22Å; M374-V378 PolarHBondContact O-N 2.95Å |
| 375 | E | 96.6 | Very high | 96.9 | Very high | 134 Ų | 134 | 107.3 Ų | 107.3 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.5 | -48.6 | 173.8 | -177 | 178 | -179.4 | 0 | 0 | 111 | L371 A372 K377 V378 A379 | L371-E375 WeakPolarHBondContact O-CB 3.33Å; L371-E375 PolarHBondContact O-N 2.93Å; A372-E375 PolarHBondContact O-N 3.17Å; E375-K377 PolarHBondContact O-N 3.48Å; E375-V378 PolarHBondContact O-N 2.85Å; E375-A379 VanDerWaalsContact O-CB 3.27Å; E375-A379 WeakPolarHBondContact O-CB 3.5Å; E375-A379 PolarHBondContact O-N 2.7Å |
| 376 | E | 96.9 | Very high | 96.8 | Very high | 142 Ų | 142 | 106.5 Ų | 106.5 | 66% | 0.664 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.2 | -45.1 | 176.8 | -173.2 | -179.8 | -169.9 | 0 | 0 | 111.9 | A372 A379 Y380 | A372-E376 PolarHBondContact O-N 3.36Å; E376-A379 PolarHBondContact O-N 3.04Å; E376-Y380 WeakPolarHBondContact O-CB 3.4Å; E376-Y380 PolarHBondContact O-N 3.36Å |
| 377 | K | 97.1 | Very high | 96.8 | Very high | 135 Ų | 135 | 110.3 Ų | 110.3 | 59% | 0.587 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.6 | -44.2 | 176.7 | -73.4 | 163.2 | -176.5 | 150.4 | 0 | 112.4 | S373 M374 E375 Q381 | S373-K377 WeakPolarHBondContact O-CD 3.24Å; S373-K377 VanDerWaalsContact O-CG 3.24Å; S373-K377 WeakPolarHBondContact O-CG 3.46Å; S373-K377 PolarHBondContact O-N 3.49Å; S373-K377 VanDerWaalsContact O-N 3.16Å; S373-K377 PolarHBondContact OG-NZ 3.18Å; M374-K377 PolarHBondContact O-N 3.23Å; E375-K377 PolarHBondContact O-N 3.48Å; K377-Q381 WeakPolarHBondContact O-CB 3.49Å; K377-Q381 PolarHBondContact O-N 3.18Å |
| 378 | V | 96.8 | Very high | 96.8 | Very high | 87 Ų | 87 | 109.2 Ų | 109.2 | 53% | 0.527 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.6 | -42 | 178.6 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | M374 E375 Q381 S382 | M374-V378 HydrophobicContact CG-CG2 4.34Å; M374-V378 WeakPolarHBondContact O-CB 3.25Å; M374-V378 VanDerWaalsContact O-CG2 3.28Å; M374-V378 WeakPolarHBondContact O-CG2 3.22Å; M374-V378 PolarHBondContact O-N 2.95Å; E375-V378 PolarHBondContact O-N 2.85Å; V378-Q381 PolarHBondContact O-N 3.31Å; V378-S382 WeakPolarHBondContact O-CB 3.36Å; V378-S382 PolarHBondContact O-N 3.1Å |
| 379 | A | 96.1 | Very high | 96.7 | Very high | 38 Ų | 38 | 108.6 Ų | 108.6 | 31% | 0.314 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.9 | -51.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | E375 E376 Q381 S382 Y383 | E375-A379 VanDerWaalsContact O-CB 3.27Å; E375-A379 WeakPolarHBondContact O-CB 3.5Å; E375-A379 PolarHBondContact O-N 2.7Å; E376-A379 PolarHBondContact O-N 3.04Å; A379-Q381 PolarHBondContact O-N 3.32Å; A379-S382 PolarHBondContact O-N 3.39Å; A379-S382 VanDerWaalsContact O-N 3.12Å; A379-S382 PolarHBondContact O-OG 3.47Å; A379-Y383 VanDerWaalsContact O-CD2 3.23Å; A379-Y383 WeakPolarHBondContact O-CD2 3.38Å; A379-Y383 PolarHBondContact O-N 2.94Å |
| 380 | Y | 97.4 | Very high | 96.7 | Very high | 170 Ų | 170 | 107.2 Ų | 107.2 | 67% | 0.667 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -57.5 | -49 | 177.7 | -172.9 | -91.6 | 0 | 0 | 0 | 112.3 | E376 S382 Y383 E384 | E376-Y380 WeakPolarHBondContact O-CB 3.4Å; E376-Y380 PolarHBondContact O-N 3.36Å; Y380-S382 VanDerWaalsContact C-N 3.26Å; Y380-S382 PolarHBondContact O-N 3.26Å; Y380-Y383 PolarHBondContact O-N 3.21Å; Y380-Y383 VanDerWaalsContact O-N 3.15Å; Y380-E384 PolarHBondContact O-N 3.11Å |
| 381 | Q | 96.6 | Very high | 96.7 | Very high | 96 Ų | 96 | 106.1 Ų | 106.1 | 45% | 0.449 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -32.9 | 177.3 | -171.3 | -179.1 | 42.4 | 0 | 0 | 112.6 | K377 V378 A379 R385 | K377-Q381 WeakPolarHBondContact O-CB 3.49Å; K377-Q381 PolarHBondContact O-N 3.18Å; V378-Q381 PolarHBondContact O-N 3.31Å; A379-Q381 PolarHBondContact O-N 3.32Å; Q381-R385 PolarHBondContact O-N 3.42Å |
| 382 | S | 92.8 | Very high | 96.7 | Very high | 65 Ų | 65 | 104 Ų | 104 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.7 | -39.1 | 175.5 | 80.5 | 0 | 0 | 0 | 0 | 112 | V378 A379 Y380 A386 | V378-S382 WeakPolarHBondContact O-CB 3.36Å; V378-S382 PolarHBondContact O-N 3.1Å; A379-S382 PolarHBondContact O-N 3.39Å; A379-S382 VanDerWaalsContact O-N 3.12Å; A379-S382 PolarHBondContact O-OG 3.47Å; Y380-S382 VanDerWaalsContact C-N 3.26Å; Y380-S382 PolarHBondContact O-N 3.26Å; S382-A386 VanDerWaalsContact O-CB 3.3Å; S382-A386 WeakPolarHBondContact O-CB 3.33Å; S382-A386 PolarHBondContact O-N 3.14Å |
| 383 | Y | 97.1 | Very high | 96.7 | Very high | 177 Ų | 177 | 105.2 Ų | 105.2 | 69% | 0.694 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.7 | -41.5 | 174.2 | -81.7 | -66.6 | 0 | 0 | 0 | 112.2 | A379 Y380 A386 R387 | A379-Y383 VanDerWaalsContact O-CD2 3.23Å; A379-Y383 WeakPolarHBondContact O-CD2 3.38Å; A379-Y383 PolarHBondContact O-N 2.94Å; Y380-Y383 PolarHBondContact O-N 3.21Å; Y380-Y383 VanDerWaalsContact O-N 3.15Å; Y383-A386 PolarHBondContact O-N 2.92Å; Y383-R387 WeakPolarHBondContact O-CB 3.44Å; Y383-R387 PolarHBondContact O-N 3.24Å |
| 384 | E | 96.9 | Very high | 96.7 | Very high | 98 Ų | 98 | 107.7 Ų | 107.7 | 46% | 0.458 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.9 | -52.9 | 173.5 | -175.3 | -173.4 | -139.5 | 0 | 0 | 110.7 | Y380 A386 R387 D388 | Y380-E384 PolarHBondContact O-N 3.11Å; E384-A386 VanDerWaalsContact C-N 3.34Å; E384-A386 PolarHBondContact O-N 3.27Å; E384-R387 CarbonylContact O-C 3.59Å; E384-R387 WeakPolarHBondContact O-CA 3.43Å; E384-R387 WeakPolarHBondContact O-CB 3.43Å; E384-R387 PolarHBondContact O-N 3.2Å; E384-R387 VanDerWaalsContact O-N 3.09Å; E384-D388 PolarHBondContact O-N 3.05Å |
| 385 | R | 96.8 | Very high | 96.6 | Very high | 154 Ų | 154 | 104.9 Ų | 104.9 | 58% | 0.581 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.5 | -41.5 | 176.7 | -86.3 | -169.1 | 175.6 | 139.7 | 0.5 | 113.5 | Q381 R387 D388 I389 | Q381-R385 PolarHBondContact O-N 3.42Å; R385-R387 VanDerWaalsContact C-N 3.25Å; R385-R387 PolarHBondContact O-N 3.37Å; R385-D388 PolarHBondContact O-N 3.44Å; R385-I389 WeakPolarHBondContact O-CB 3.4Å; R385-I389 WeakPolarHBondContact O-CD1 3.38Å; R385-I389 WeakPolarHBondContact O-CG1 3.45Å; R385-I389 PolarHBondContact O-N 2.92Å |
| 386 | A | 96.4 | Very high | 96.6 | Very high | 56 Ų | 56 | 101.5 Ų | 101.5 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | S382 Y383 E384 Q390 | S382-A386 VanDerWaalsContact O-CB 3.3Å; S382-A386 WeakPolarHBondContact O-CB 3.33Å; S382-A386 PolarHBondContact O-N 3.14Å; Y383-A386 PolarHBondContact O-N 2.92Å; E384-A386 VanDerWaalsContact C-N 3.34Å; E384-A386 PolarHBondContact O-N 3.27Å; A386-Q390 WeakPolarHBondContact O-CB 3.33Å; A386-Q390 PolarHBondContact O-N 3.47Å |
| 387 | R | 97.2 | Very high | 96.5 | Very high | 160 Ų | 160 | 99.4 Ų | 99.4 | 60% | 0.604 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.8 | -47.9 | 174.4 | -177.7 | -177.9 | 177 | 130.1 | 12.5 | 112.4 | Y383 E384 R385 I389 Q390 E391 | Y383-R387 WeakPolarHBondContact O-CB 3.44Å; Y383-R387 PolarHBondContact O-N 3.24Å; E384-R387 CarbonylContact O-C 3.59Å; E384-R387 WeakPolarHBondContact O-CA 3.43Å; E384-R387 WeakPolarHBondContact O-CB 3.43Å; E384-R387 PolarHBondContact O-N 3.2Å; E384-R387 VanDerWaalsContact O-N 3.09Å; R385-R387 VanDerWaalsContact C-N 3.25Å; R385-R387 PolarHBondContact O-N 3.37Å; R387-I389 VanDerWaalsContact C-N 3.26Å; R387-I389 PolarHBondContact O-N 2.81Å; R387-Q390 CarbonylContact O-C 3.56Å; R387-Q390 WeakPolarHBondContact O-CA 3.37Å; R387-Q390 WeakPolarHBondContact O-CB 3.46Å; R387-Q390 PolarHBondContact O-N 3.15Å; R387-E391 HydrophobicContact CG-CG 4.37Å; R387-E391 IonicContact CZ-OE1 2.68Å; R387-E391 IonicContact NE-OE1 2.9Å; R387-E391 PolarHBondContact NE-OE1 3.07Å; R387-E391 IonicContact NH2-OE1 3.93Å; R387-E391 PolarHBondContact NH2-OE1 2.8Å; R387-E391 WeakPolarHBondContact O-CG 2.96Å; R387-E391 PolarHBondContact O-N 3.18Å |
| 388 | D | 97.6 | Very high | 96.4 | Very high | 89 Ų | 89 | 96.6 Ų | 96.6 | 48% | 0.476 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.8 | -42.3 | 176.5 | -70.8 | -18.4 | 0 | 0 | 0 | 111.6 | E384 R385 E391 A392 | E384-D388 PolarHBondContact O-N 3.05Å; R385-D388 PolarHBondContact O-N 3.44Å; D388-E391 PolarHBondContact O-N 3.18Å; D388-A392 VanDerWaalsContact O-CB 3.29Å; D388-A392 WeakPolarHBondContact O-CB 3.37Å; D388-A392 PolarHBondContact O-N 3.02Å |
| 389 | I | 95.9 | Very high | 96.3 | Very high | 111 Ų | 111 | 100.5 Ų | 100.5 | 57% | 0.569 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.7 | -42.8 | 175.4 | -68.4 | 165.4 | 0 | 0 | 0 | 110.4 | R385 R387 A392 V393 | R385-I389 WeakPolarHBondContact O-CB 3.4Å; R385-I389 WeakPolarHBondContact O-CD1 3.38Å; R385-I389 WeakPolarHBondContact O-CG1 3.45Å; R385-I389 PolarHBondContact O-N 2.92Å; R387-I389 VanDerWaalsContact C-N 3.26Å; R387-I389 PolarHBondContact O-N 2.81Å; I389-A392 PolarHBondContact O-N 3.27Å; I389-V393 HydrophobicContact CG2-CG2 4.47Å; I389-V393 WeakPolarHBondContact O-CB 3.44Å; I389-V393 VanDerWaalsContact O-CG2 3.27Å; I389-V393 WeakPolarHBondContact O-CG2 3.38Å; I389-V393 PolarHBondContact O-N 2.75Å |
| 390 | Q | 97.2 | Very high | 96.1 | Very high | 114 Ų | 114 | 102.9 Ų | 102.9 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 176.1 | -177.4 | 178.1 | -28.4 | 0 | 0 | 111.6 | A386 R387 A392 V393 E394 | A386-Q390 WeakPolarHBondContact O-CB 3.33Å; A386-Q390 PolarHBondContact O-N 3.47Å; R387-Q390 CarbonylContact O-C 3.56Å; R387-Q390 WeakPolarHBondContact O-CA 3.37Å; R387-Q390 WeakPolarHBondContact O-CB 3.46Å; R387-Q390 PolarHBondContact O-N 3.15Å; Q390-A392 VanDerWaalsContact C-N 3.31Å; Q390-A392 PolarHBondContact O-N 3.04Å; Q390-V393 PolarHBondContact O-N 2.79Å; Q390-V393 VanDerWaalsContact O-N 3.12Å; Q390-E394 HydrophobicContact CG-CG 4.42Å; Q390-E394 WeakPolarHBondContact CG-OE1 3.48Å; Q390-E394 PolarHBondContact NE2-OE1 3.14Å; Q390-E394 WeakPolarHBondContact O-CG 3.35Å; Q390-E394 PolarHBondContact O-N 3.3Å |
| 391 | E | 97.4 | Very high | 95.8 | Very high | 90 Ų | 90 | 98.8 Ų | 98.8 | 42% | 0.421 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.7 | -37.1 | 178.1 | -68.4 | -174.9 | -169.3 | 0 | 0 | 111.4 | R387 D388 S395 | R387-E391 HydrophobicContact CG-CG 4.37Å; R387-E391 IonicContact CZ-OE1 2.68Å; R387-E391 IonicContact NE-OE1 2.9Å; R387-E391 PolarHBondContact NE-OE1 3.07Å; R387-E391 IonicContact NH2-OE1 3.93Å; R387-E391 PolarHBondContact NH2-OE1 2.8Å; R387-E391 WeakPolarHBondContact O-CG 2.96Å; R387-E391 PolarHBondContact O-N 3.18Å; D388-E391 PolarHBondContact O-N 3.18Å; E391-S395 VanDerWaalsContact O-CB 3.28Å; E391-S395 WeakPolarHBondContact O-CB 3.47Å; E391-S395 PolarHBondContact O-N 3.4Å |
| 392 | A | 96.9 | Very high | 95.5 | Very high | 61 Ų | 61 | 100.9 Ų | 100.9 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | D388 I389 Q390 C396 | D388-A392 VanDerWaalsContact O-CB 3.29Å; D388-A392 WeakPolarHBondContact O-CB 3.37Å; D388-A392 PolarHBondContact O-N 3.02Å; I389-A392 PolarHBondContact O-N 3.27Å; Q390-A392 VanDerWaalsContact C-N 3.31Å; Q390-A392 PolarHBondContact O-N 3.04Å; A392-C396 WeakPolarHBondContact O-CB 3.49Å; A392-C396 PolarHBondContact O-N 3.2Å |
| 393 | V | 97 | Very high | 95 | Very high | 78 Ų | 78 | 103 Ų | 103 | 47% | 0.473 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67 | -45.5 | 175.2 | 167.2 | 0 | 0 | 0 | 0 | 110.9 | I389 Q390 S395 C396 L397 | I389-V393 HydrophobicContact CG2-CG2 4.47Å; I389-V393 WeakPolarHBondContact O-CB 3.44Å; I389-V393 VanDerWaalsContact O-CG2 3.27Å; I389-V393 WeakPolarHBondContact O-CG2 3.38Å; I389-V393 PolarHBondContact O-N 2.75Å; Q390-V393 PolarHBondContact O-N 2.79Å; Q390-V393 VanDerWaalsContact O-N 3.12Å; V393-S395 VanDerWaalsContact C-N 3.32Å; V393-S395 PolarHBondContact O-N 3.44Å; V393-C396 WeakPolarHBondContact O-CB 3.34Å; V393-C396 PolarHBondContact O-N 2.7Å; V393-C396 VanDerWaalsContact O-N 3.14Å; V393-L397 HydrophobicContact CG1-CD1 4Å; V393-L397 HydrophobicContact CG1-CG 4.34Å; V393-L397 WeakPolarHBondContact O-CG 3.43Å; V393-L397 PolarHBondContact O-N 3.47Å |
| 394 | E | 97 | Very high | 94.5 | Very high | 95 Ų | 95 | 99.5 Ų | 99.5 | 44% | 0.444 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 176 | -73.1 | 177.7 | -163.5 | 0 | 0 | 111.7 | Q390 T398 | Q390-E394 HydrophobicContact CG-CG 4.42Å; Q390-E394 WeakPolarHBondContact CG-OE1 3.48Å; Q390-E394 PolarHBondContact NE2-OE1 3.14Å; Q390-E394 WeakPolarHBondContact O-CG 3.35Å; Q390-E394 PolarHBondContact O-N 3.3Å; E394-T398 VanDerWaalsContact O-CB 3.31Å; E394-T398 WeakPolarHBondContact O-CB 3.48Å; E394-T398 PolarHBondContact O-N 3.38Å; E394-T398 PolarHBondContact O-OG1 2.98Å |
| 395 | S | 95.9 | Very high | 93.8 | Very high | 52 Ų | 52 | 99.8 Ų | 99.8 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 172.5 | -169.6 | 0 | 0 | 0 | 0 | 112.2 | E391 V393 R399 | E391-S395 VanDerWaalsContact O-CB 3.28Å; E391-S395 WeakPolarHBondContact O-CB 3.47Å; E391-S395 PolarHBondContact O-N 3.4Å; V393-S395 VanDerWaalsContact C-N 3.32Å; V393-S395 PolarHBondContact O-N 3.44Å; S395-R399 WeakPolarHBondContact O-CG 3.38Å; S395-R399 PolarHBondContact O-N 2.86Å |
| 396 | C | 94.8 | Very high | 92.8 | Very high | 64 Ų | 64 | 98.2 Ų | 98.2 | 43% | 0.432 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.1 | -48.9 | 176 | -168.3 | 0 | 0 | 0 | 0 | 111.8 | A392 V393 T398 R399 I400 | A392-C396 WeakPolarHBondContact O-CB 3.49Å; A392-C396 PolarHBondContact O-N 3.2Å; V393-C396 WeakPolarHBondContact O-CB 3.34Å; V393-C396 PolarHBondContact O-N 2.7Å; V393-C396 VanDerWaalsContact O-N 3.14Å; C396-T398 VanDerWaalsContact C-N 3.34Å; C396-T398 PolarHBondContact O-N 3.32Å; C396-R399 WeakPolarHBondContact O-CB 3.49Å; C396-R399 PolarHBondContact O-N 3.45Å; C396-R399 VanDerWaalsContact O-N 3.13Å; C396-I400 WeakPolarHBondContact O-CG1 3.32Å; C396-I400 PolarHBondContact O-N 3.39Å |
| 397 | L | 95 | Very high | 91.4 | Very high | 98 Ų | 98 | 101 Ų | 101 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.5 | -46.2 | 175 | -71.3 | 173.4 | 0 | 0 | 0 | 111 | V393 R399 I400 T401 | V393-L397 HydrophobicContact CG1-CD1 4Å; V393-L397 HydrophobicContact CG1-CG 4.34Å; V393-L397 WeakPolarHBondContact O-CG 3.43Å; V393-L397 PolarHBondContact O-N 3.47Å; L397-R399 VanDerWaalsContact C-N 3.29Å; L397-R399 PolarHBondContact O-N 3.06Å; L397-I400 PolarHBondContact O-N 3.28Å; L397-I400 VanDerWaalsContact O-N 3.11Å; L397-T401 PolarHBondContact O-N 3.26Å; L397-T401 PolarHBondContact O-OG1 3.14Å; L397-T401 VanDerWaalsContact O-OG1 3.13Å |
| 398 | T | 94.8 | Very high | 89.9 | Confident | 75 Ų | 75 | 98.5 Ų | 98.5 | 46% | 0.46 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.7 | -38 | 176.8 | -58.7 | 0 | 0 | 0 | 0 | 112.2 | E394 C396 K402 | E394-T398 VanDerWaalsContact O-CB 3.31Å; E394-T398 WeakPolarHBondContact O-CB 3.48Å; E394-T398 PolarHBondContact O-N 3.38Å; E394-T398 PolarHBondContact O-OG1 2.98Å; C396-T398 VanDerWaalsContact C-N 3.34Å; C396-T398 PolarHBondContact O-N 3.32Å; T398-K402 WeakPolarHBondContact O-CB 3.32Å; T398-K402 VanDerWaalsContact O-CG 3.31Å; T398-K402 WeakPolarHBondContact O-CG 3.41Å; T398-K402 PolarHBondContact O-N 2.92Å |
| 399 | R | 94.6 | Very high | 88 | Confident | 169 Ų | 169 | 101.2 Ų | 101.2 | 64% | 0.638 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.7 | -44.2 | 173.4 | -74.3 | 174.4 | -178.8 | 154.4 | 2.2 | 111.8 | S395 C396 L397 K402 L403 | S395-R399 WeakPolarHBondContact O-CG 3.38Å; S395-R399 PolarHBondContact O-N 2.86Å; C396-R399 WeakPolarHBondContact O-CB 3.49Å; C396-R399 PolarHBondContact O-N 3.45Å; C396-R399 VanDerWaalsContact O-N 3.13Å; L397-R399 VanDerWaalsContact C-N 3.29Å; L397-R399 PolarHBondContact O-N 3.06Å; R399-K402 PolarHBondContact O-N 3.08Å; R399-L403 WeakPolarHBondContact O-CG 3.44Å; R399-L403 PolarHBondContact O-N 3.05Å |
| 400 | I | 92.1 | Very high | 85.9 | Confident | 89 Ų | 89 | 102.5 Ų | 102.5 | 46% | 0.456 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 177.7 | -67.9 | 166.2 | 0 | 0 | 0 | 110.3 | C396 L397 K402 L403 E404 | C396-I400 WeakPolarHBondContact O-CG1 3.32Å; C396-I400 PolarHBondContact O-N 3.39Å; L397-I400 PolarHBondContact O-N 3.28Å; L397-I400 VanDerWaalsContact O-N 3.11Å; I400-K402 VanDerWaalsContact C-N 3.33Å; I400-K402 PolarHBondContact O-N 2.87Å; I400-L403 CarbonylContact O-C 3.57Å; I400-L403 WeakPolarHBondContact O-CB 3.25Å; I400-L403 PolarHBondContact O-N 3.25Å; I400-L403 VanDerWaalsContact O-N 3.13Å; I400-E404 WeakPolarHBondContact O-CB 3.46Å; I400-E404 PolarHBondContact O-N 3.04Å |
| 401 | T | 92.5 | Very high | 83.3 | Confident | 83 Ų | 83 | 100.2 Ų | 100.2 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.7 | -35.4 | 177.2 | -54.8 | 0 | 0 | 0 | 0 | 112.3 | L397 E404 L405 | L397-T401 PolarHBondContact O-N 3.26Å; L397-T401 PolarHBondContact O-OG1 3.14Å; L397-T401 VanDerWaalsContact O-OG1 3.13Å; T401-E404 PolarHBondContact O-N 2.91Å; T401-L405 VanDerWaalsContact O-CB 3.31Å; T401-L405 WeakPolarHBondContact O-CB 3.39Å; T401-L405 PolarHBondContact O-N 3.04Å |
| 402 | K | 89 | Confident | 81.1 | Confident | 140 Ų | 140 | 101.4 Ų | 101.4 | 61% | 0.609 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.4 | -42.5 | 171.6 | -79.7 | 179.1 | -179.4 | -178.8 | 0 | 112.1 | T398 R399 I400 L405 Q406 | T398-K402 WeakPolarHBondContact O-CB 3.32Å; T398-K402 VanDerWaalsContact O-CG 3.31Å; T398-K402 WeakPolarHBondContact O-CG 3.41Å; T398-K402 PolarHBondContact O-N 2.92Å; R399-K402 PolarHBondContact O-N 3.08Å; I400-K402 VanDerWaalsContact C-N 3.33Å; I400-K402 PolarHBondContact O-N 2.87Å; K402-L405 PolarHBondContact O-N 3.09Å; K402-Q406 WeakPolarHBondContact O-CB 3.41Å; K402-Q406 PolarHBondContact O-N 2.81Å |
| 403 | L | 83.6 | Confident | 78.9 | Confident | 110 Ų | 110 | 104.2 Ų | 104.2 | 58% | 0.576 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.2 | -39.3 | 175.1 | -71.9 | 170.9 | 0 | 0 | 0 | 111.5 | R399 I400 Q406 Q407 | R399-L403 WeakPolarHBondContact O-CG 3.44Å; R399-L403 PolarHBondContact O-N 3.05Å; I400-L403 CarbonylContact O-C 3.57Å; I400-L403 WeakPolarHBondContact O-CB 3.25Å; I400-L403 PolarHBondContact O-N 3.25Å; I400-L403 VanDerWaalsContact O-N 3.13Å; L403-Q406 PolarHBondContact O-N 3.39Å; L403-Q407 WeakPolarHBondContact O-CA 3.48Å; L403-Q407 WeakPolarHBondContact O-CB 3.47Å; L403-Q407 PolarHBondContact O-N 3.02Å |
| 404 | E | 85.2 | Confident | 76.6 | Confident | 103 Ų | 103 | 108.3 Ų | 108.3 | 48% | 0.481 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | 175.9 | -174.7 | -178.2 | -175.9 | 0 | 0 | 111.8 | I400 T401 Q407 Q408 | I400-E404 WeakPolarHBondContact O-CB 3.46Å; I400-E404 PolarHBondContact O-N 3.04Å; T401-E404 PolarHBondContact O-N 2.91Å; E404-Q407 CarbonylContact O-C 3.57Å; E404-Q407 WeakPolarHBondContact O-CB 3.33Å; E404-Q407 PolarHBondContact O-N 2.86Å; E404-Q408 WeakPolarHBondContact O-CB 3.42Å; E404-Q408 WeakPolarHBondContact O-CG 3.44Å; E404-Q408 PolarHBondContact O-N 2.97Å |
| 405 | L | 82.7 | Confident | 74.2 | Confident | 105 Ų | 105 | 106.2 Ų | 106.2 | 55% | 0.55 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 174.8 | -169.7 | 89.6 | 0 | 0 | 0 | 111.1 | T401 K402 Q407 Q408 Q409 | T401-L405 VanDerWaalsContact O-CB 3.31Å; T401-L405 WeakPolarHBondContact O-CB 3.39Å; T401-L405 PolarHBondContact O-N 3.04Å; K402-L405 PolarHBondContact O-N 3.09Å; L405-Q407 VanDerWaalsContact C-N 3.31Å; L405-Q407 PolarHBondContact O-N 3.1Å; L405-Q408 PolarHBondContact O-N 2.83Å; L405-Q409 WeakPolarHBondContact O-CB 3.43Å; L405-Q409 PolarHBondContact O-N 2.86Å |
| 406 | Q | 75.6 | Confident | 72.1 | Confident | 120 Ų | 120 | 112.8 Ų | 112.8 | 56% | 0.561 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.3 | -37.8 | 176.6 | -169.2 | 177.2 | 1.6 | 0 | 0 | 110.9 | K402 L403 Q409 Q410 | K402-Q406 WeakPolarHBondContact O-CB 3.41Å; K402-Q406 PolarHBondContact O-N 2.81Å; L403-Q406 PolarHBondContact O-N 3.39Å; Q406-Q409 PolarHBondContact O-N 3.03Å; Q406-Q410 WeakPolarHBondContact O-CB 3.36Å; Q406-Q410 PolarHBondContact O-N 3.33Å |
| 407 | Q | 67.4 | Low | 70.2 | Confident | 116 Ų | 116 | 112.6 Ų | 112.6 | 54% | 0.542 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.1 | -53 | 170.6 | -171.2 | -171.1 | -41.2 | 0 | 0 | 109.7 | L403 E404 L405 Q409 Q410 Q411 | L403-Q407 WeakPolarHBondContact O-CA 3.48Å; L403-Q407 WeakPolarHBondContact O-CB 3.47Å; L403-Q407 PolarHBondContact O-N 3.02Å; E404-Q407 CarbonylContact O-C 3.57Å; E404-Q407 WeakPolarHBondContact O-CB 3.33Å; E404-Q407 PolarHBondContact O-N 2.86Å; L405-Q407 VanDerWaalsContact C-N 3.31Å; L405-Q407 PolarHBondContact O-N 3.1Å; Q407-Q409 VanDerWaalsContact C-N 3.28Å; Q407-Q409 PolarHBondContact O-N 2.87Å; Q407-Q410 CarbonylContact O-C 3.6Å; Q407-Q410 PolarHBondContact O-N 3.47Å; Q407-Q410 VanDerWaalsContact O-N 3.17Å; Q407-Q411 WeakPolarHBondContact O-CA 3.45Å; Q407-Q411 WeakPolarHBondContact O-CB 3.32Å; Q407-Q411 PolarHBondContact O-N 3.44Å |
| 408 | Q | 65.5 | Low | 68 | Low | 106 Ų | 106 | 114.1 Ų | 114.1 | 50% | 0.495 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -54.1 | -42.8 | 175.5 | -78.7 | -174.2 | -2.3 | 0 | 0 | 112.2 | E404 L405 Q411 V412 | E404-Q408 WeakPolarHBondContact O-CB 3.42Å; E404-Q408 WeakPolarHBondContact O-CG 3.44Å; E404-Q408 PolarHBondContact O-N 2.97Å; L405-Q408 PolarHBondContact O-N 2.83Å; Q408-Q411 CarbonylContact O-C 3.58Å; Q408-Q411 PolarHBondContact O-N 3.12Å; Q408-V412 WeakPolarHBondContact O-CB 3.27Å; Q408-V412 VanDerWaalsContact O-CG2 3.3Å; Q408-V412 WeakPolarHBondContact O-CG2 3.46Å; Q408-V412 PolarHBondContact O-N 2.78Å |
| 409 | Q | 58.5 | Low | 66 | Low | 146 Ų | 146 | 117.3 Ų | 117.3 | 68% | 0.682 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71.5 | -31.7 | -178.2 | -159.7 | 165.6 | 6 | 0 | 0 | 112.9 | L405 Q406 Q407 | L405-Q409 WeakPolarHBondContact O-CB 3.43Å; L405-Q409 PolarHBondContact O-N 2.86Å; Q406-Q409 PolarHBondContact O-N 3.03Å; Q407-Q409 VanDerWaalsContact C-N 3.28Å; Q407-Q409 PolarHBondContact O-N 2.87Å |
| 410 | Q | 51.1 | Low | 64.3 | Low | 138 Ų | 138 | 111.9 Ų | 111.9 | 65% | 0.645 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -75.5 | -34.8 | 169.4 | -155.9 | 93.5 | 7 | 0 | 0 | 111.8 | Q406 Q407 V413 | Q406-Q410 WeakPolarHBondContact O-CB 3.36Å; Q406-Q410 PolarHBondContact O-N 3.33Å; Q407-Q410 CarbonylContact O-C 3.6Å; Q407-Q410 PolarHBondContact O-N 3.47Å; Q407-Q410 VanDerWaalsContact O-N 3.17Å; Q410-V413 PolarHBondContact O-N 2.88Å |
| 411 | Q | 42.8 | Very low | 62.9 | Low | 66 Ų | 66 | 111.1 Ų | 111.1 | 31% | 0.308 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -82.3 | -25.2 | -172.2 | -167.2 | 170.4 | 5.6 | 0 | 0 | 111.9 | Q407 Q408 V413 Q414 L415 | Q407-Q411 WeakPolarHBondContact O-CA 3.45Å; Q407-Q411 WeakPolarHBondContact O-CB 3.32Å; Q407-Q411 PolarHBondContact O-N 3.44Å; Q408-Q411 CarbonylContact O-C 3.58Å; Q408-Q411 PolarHBondContact O-N 3.12Å; Q411-V413 PolarHBondContact O-N 3.36Å; Q411-Q414 PolarHBondContact O-N 3.25Å; Q411-L415 HydrophobicContact CB-CB 4.45Å; Q411-L415 HydrophobicContact CG-CB 3.4Å; Q411-L415 HydrophobicContact CG-CD1 3.86Å; Q411-L415 HydrophobicContact CG-CD2 3.87Å; Q411-L415 HydrophobicContact CG-CG 3.87Å; Q411-L415 VanDerWaalsContact NE2-CD2 3.33Å; Q411-L415 WeakPolarHBondContact O-CA 3.32Å; Q411-L415 WeakPolarHBondContact O-CB 3.46Å; Q411-L415 PolarHBondContact O-N 3.42Å |
| 412 | V | 50.7 | Low | 61.4 | Low | 115 Ų | 115 | 112.9 Ų | 112.9 | 70% | 0.697 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -28.4 | 166.9 | 164.1 | 0 | 0 | 0 | 0 | 111.7 | Q408 | Q408-V412 WeakPolarHBondContact O-CB 3.27Å; Q408-V412 VanDerWaalsContact O-CG2 3.3Å; Q408-V412 WeakPolarHBondContact O-CG2 3.46Å; Q408-V412 PolarHBondContact O-N 2.78Å |
| 413 | V | 51.2 | Low | 60.2 | Low | 120 Ų | 120 | 109 Ų | 109 | 73% | 0.727 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -13 | -179.1 | -176.3 | 0 | 0 | 0 | 0 | 113 | Q410 Q411 | Q410-V413 PolarHBondContact O-N 2.88Å; Q411-V413 PolarHBondContact O-N 3.36Å |
| 414 | Q | 48.3 | Very low | 59.4 | Low | 164 Ų | 164 | 111.9 Ų | 111.9 | 77% | 0.766 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.3 | -16.9 | -178.3 | -66.9 | -166.9 | -7.6 | 0 | 0 | 116.5 | Q411 | Q411-Q414 PolarHBondContact O-N 3.25Š|
| 415 | L | 47 | Very low | 58.8 | Low | 51 Ų | 51 | 109.3 Ų | 109.3 | 27% | 0.267 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.2 | 7.7 | -171.3 | -155.7 | 103.3 | 0 | 0 | 0 | 115.2 | Q411 N420 | Q411-L415 HydrophobicContact CB-CB 4.45Å; Q411-L415 HydrophobicContact CG-CB 3.4Å; Q411-L415 HydrophobicContact CG-CD1 3.86Å; Q411-L415 HydrophobicContact CG-CD2 3.87Å; Q411-L415 HydrophobicContact CG-CG 3.87Å; Q411-L415 VanDerWaalsContact NE2-CD2 3.33Å; Q411-L415 WeakPolarHBondContact O-CA 3.32Å; Q411-L415 WeakPolarHBondContact O-CB 3.46Å; Q411-L415 PolarHBondContact O-N 3.42Å; L415-N420 HydrophobicContact CD2-CB 4.44Å |
| 416 | E | 51.3 | Low | 58.4 | Low | 190 Ų | 190 | 109.5 Ų | 109.5 | 89% | 0.888 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -11.6 | 165.7 | -145.6 | 170 | -158.2 | 0 | 0 | 111.9 | ||
| 417 | G | 54.6 | Low | 58.6 | Low | 61 Ų | 61 | 108.9 Ų | 108.9 | 63% | 0.629 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -80.1 | -70.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 418 | V | 49.1 | Very low | 59.2 | Low | 130 Ų | 130 | 105.2 Ų | 105.2 | 79% | 0.788 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -133.9 | -32.7 | -153 | -176.2 | 0 | 0 | 0 | 0 | 116.7 | ||
| 419 | E | 53.5 | Low | 60.2 | Low | 141 Ų | 141 | 106.6 Ų | 106.6 | 66% | 0.659 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -100.8 | -15.9 | -161.6 | -60.5 | -170.3 | 138.2 | 0 | 0 | 116.2 | A421 A423 | E419-A421 PolarHBondContact O-N 3.24Å; E419-A423 PolarHBondContact O-N 3.47Å |
| 420 | N | 59.6 | Low | 61.4 | Low | 55 Ų | 55 | 104.4 Ų | 104.4 | 29% | 0.294 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.9 | -26 | -168.7 | -160.9 | 5.1 | 0 | 0 | 0 | 114.1 | L415 R424 | L415-N420 HydrophobicContact CD2-CB 4.44Å; N420-R424 WeakPolarHBondContact O-CB 3.31Å; N420-R424 VanDerWaalsContact O-CG 3.27Å; N420-R424 WeakPolarHBondContact O-CG 3.48Å; N420-R424 PolarHBondContact O-N 3.33Å; N420-R424 VanDerWaalsContact O-N 3.13Å; N420-R424 WeakPolarHBondContact OD1-CD 3.49Å; N420-R424 PolarHBondContact OD1-NE 3.05Å |
| 421 | A | 60.9 | Low | 63.2 | Low | 73 Ų | 73 | 102 Ų | 102 | 60% | 0.603 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.5 | -46.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E419 A425 | E419-A421 PolarHBondContact O-N 3.24Å; A421-A425 WeakPolarHBondContact O-CB 3.09Å; A421-A425 PolarHBondContact O-N 3.07Å |
| 422 | N | 62.7 | Low | 65.3 | Low | 121 Ų | 121 | 104.1 Ų | 104.1 | 65% | 0.647 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.8 | -39.2 | -179 | -75.8 | -17 | 0 | 0 | 0 | 111.9 | A425 L426 | N422-A425 PolarHBondContact O-N 2.77Å; N422-L426 WeakPolarHBondContact O-CB 3.31Å; N422-L426 WeakPolarHBondContact O-CG 3.48Å; N422-L426 PolarHBondContact O-N 2.92Å |
| 423 | A | 62.2 | Low | 67.3 | Low | 57 Ų | 57 | 102.6 Ų | 102.6 | 47% | 0.471 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.7 | -44.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E419 L426 L427 | E419-A423 PolarHBondContact O-N 3.47Å; A423-L426 PolarHBondContact O-N 2.96Å; A423-L427 WeakPolarHBondContact O-CB 3.17Å; A423-L427 PolarHBondContact O-N 3.36Å |
| 424 | R | 67.3 | Low | 69 | Low | 172 Ų | 172 | 101.1 Ų | 101.1 | 65% | 0.649 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.9 | -38.7 | 175.1 | -73.1 | 176 | 176.4 | -174.9 | -2.6 | 112.6 | N420 L427 G428 | N420-R424 WeakPolarHBondContact O-CB 3.31Å; N420-R424 VanDerWaalsContact O-CG 3.27Å; N420-R424 WeakPolarHBondContact O-CG 3.48Å; N420-R424 PolarHBondContact O-N 3.33Å; N420-R424 VanDerWaalsContact O-N 3.13Å; N420-R424 WeakPolarHBondContact OD1-CD 3.49Å; N420-R424 PolarHBondContact OD1-NE 3.05Å; R424-L427 PolarHBondContact O-N 2.85Å; R424-G428 PolarHBondContact O-N 3.48Å |
| 425 | A | 72.7 | Confident | 70.9 | Confident | 48 Ų | 48 | 98.4 Ų | 98.4 | 40% | 0.397 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A421 N422 K429 | A421-A425 WeakPolarHBondContact O-CB 3.09Å; A421-A425 PolarHBondContact O-N 3.07Å; N422-A425 PolarHBondContact O-N 2.77Å; A425-K429 VanDerWaalsContact O-CG 3.29Å; A425-K429 WeakPolarHBondContact O-CG 3.48Å; A425-K429 PolarHBondContact O-N 3.07Å; A425-K429 VanDerWaalsContact O-N 3.11Å |
| 426 | L | 75.3 | Confident | 73 | Confident | 110 Ų | 110 | 98.6 Ų | 98.6 | 58% | 0.576 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.9 | -43.2 | 172.8 | -75.7 | 170.4 | 0 | 0 | 0 | 111.7 | N422 A423 G428 K429 L430 | N422-L426 WeakPolarHBondContact O-CB 3.31Å; N422-L426 WeakPolarHBondContact O-CG 3.48Å; N422-L426 PolarHBondContact O-N 2.92Å; A423-L426 PolarHBondContact O-N 2.96Å; L426-G428 VanDerWaalsContact C-N 3.34Å; L426-G428 PolarHBondContact O-N 3.33Å; L426-K429 WeakPolarHBondContact O-CB 3.3Å; L426-K429 PolarHBondContact O-N 3.44Å; L426-L430 WeakPolarHBondContact O-CB 3.34Å; L426-L430 PolarHBondContact O-N 2.96Å |
| 427 | L | 79.3 | Confident | 74.8 | Confident | 106 Ų | 106 | 94.5 Ų | 94.5 | 56% | 0.555 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.4 | -44 | 175.6 | -166.6 | 76.8 | 0 | 0 | 0 | 111.3 | A423 R424 K429 L430 I431 | A423-L427 WeakPolarHBondContact O-CB 3.17Å; A423-L427 PolarHBondContact O-N 3.36Å; R424-L427 PolarHBondContact O-N 2.85Å; L427-K429 PolarHBondContact O-N 3.34Å; L427-L430 PolarHBondContact O-N 3.11Å; L427-I431 HydrophobicContact CD2-CD1 4.45Å; L427-I431 HydrophobicContact CG-CD1 4.08Å; L427-I431 WeakPolarHBondContact O-CB 3.37Å; L427-I431 VanDerWaalsContact O-CG1 3.27Å; L427-I431 WeakPolarHBondContact O-CG1 3.37Å; L427-I431 PolarHBondContact O-N 2.8Å |
| 428 | G | 80.4 | Confident | 76.4 | Confident | 39 Ų | 39 | 96.5 Ų | 96.5 | 40% | 0.402 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R424 L426 N432 | R424-G428 PolarHBondContact O-N 3.48Å; L426-G428 VanDerWaalsContact C-N 3.34Å; L426-G428 PolarHBondContact O-N 3.33Å; G428-N432 WeakPolarHBondContact O-CB 3.38Å; G428-N432 PolarHBondContact O-N 3.11Å |
| 429 | K | 84.9 | Confident | 78.4 | Confident | 136 Ų | 136 | 92.8 Ų | 92.8 | 59% | 0.591 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64 | -41.2 | 172.4 | -72.1 | 168.1 | -176.5 | 177.9 | 0 | 111.9 | A425 L426 L427 N432 V433 | A425-K429 VanDerWaalsContact O-CG 3.29Å; A425-K429 WeakPolarHBondContact O-CG 3.48Å; A425-K429 PolarHBondContact O-N 3.07Å; A425-K429 VanDerWaalsContact O-N 3.11Å; L426-K429 WeakPolarHBondContact O-CB 3.3Å; L426-K429 PolarHBondContact O-N 3.44Å; L427-K429 PolarHBondContact O-N 3.34Å; K429-N432 PolarHBondContact O-N 3.38Å; K429-V433 WeakPolarHBondContact O-CG2 3.42Å; K429-V433 PolarHBondContact O-N 3.02Å |
| 430 | L | 84.1 | Confident | 80.2 | Confident | 99 Ų | 99 | 89.7 Ų | 89.7 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.5 | -41.6 | -178.6 | -146.6 | 167.9 | 0 | 0 | 0 | 111.1 | L426 L427 N432 V433 I434 | L426-L430 WeakPolarHBondContact O-CB 3.34Å; L426-L430 PolarHBondContact O-N 2.96Å; L427-L430 PolarHBondContact O-N 3.11Å; L430-N432 VanDerWaalsContact C-N 3.33Å; L430-N432 PolarHBondContact O-N 3.37Å; L430-V433 PolarHBondContact O-N 3.23Å; L430-I434 HydrophobicContact CD2-CD1 3.45Å; L430-I434 VanDerWaalsContact CD2-CD1 3.45Å; L430-I434 HydrophobicContact CD2-CG1 3.94Å; L430-I434 WeakPolarHBondContact O-CG1 3.33Å; L430-I434 PolarHBondContact O-N 2.91Å |
| 431 | I | 89.1 | Confident | 81.5 | Confident | 88 Ų | 88 | 92 Ų | 92 | 45% | 0.451 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.2 | -45.9 | 169.8 | -69.5 | 163.2 | 0 | 0 | 0 | 110.2 | L427 V433 I434 L435 | L427-I431 HydrophobicContact CD2-CD1 4.45Å; L427-I431 HydrophobicContact CG-CD1 4.08Å; L427-I431 WeakPolarHBondContact O-CB 3.37Å; L427-I431 VanDerWaalsContact O-CG1 3.27Å; L427-I431 WeakPolarHBondContact O-CG1 3.37Å; L427-I431 PolarHBondContact O-N 2.8Å; I431-V433 VanDerWaalsContact C-N 3.34Å; I431-V433 PolarHBondContact O-N 3.47Å; I431-I434 PolarHBondContact O-N 3.38Å; I431-L435 HydrophobicContact CG2-CD1 3.88Å; I431-L435 HydrophobicContact CG2-CG 4.34Å; I431-L435 WeakPolarHBondContact O-CB 3.45Å; I431-L435 VanDerWaalsContact O-CG 3.29Å; I431-L435 WeakPolarHBondContact O-CG 3.38Å; I431-L435 PolarHBondContact O-N 3.23Å |
| 432 | N | 88.3 | Confident | 82.8 | Confident | 111 Ų | 111 | 94 Ų | 94 | 59% | 0.594 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.6 | -36.7 | 178 | -165.5 | 47.2 | 0 | 0 | 0 | 112.6 | G428 K429 L430 A436 | G428-N432 WeakPolarHBondContact O-CB 3.38Å; G428-N432 PolarHBondContact O-N 3.11Å; K429-N432 PolarHBondContact O-N 3.38Å; L430-N432 VanDerWaalsContact C-N 3.33Å; L430-N432 PolarHBondContact O-N 3.37Å; N432-A436 WeakPolarHBondContact O-CB 3.38Å; N432-A436 PolarHBondContact O-N 2.96Å |
| 433 | V | 91.3 | Very high | 84 | Confident | 82 Ų | 82 | 92.7 Ų | 92.7 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 172.8 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | K429 L430 I431 A436 L437 | K429-V433 WeakPolarHBondContact O-CG2 3.42Å; K429-V433 PolarHBondContact O-N 3.02Å; L430-V433 PolarHBondContact O-N 3.23Å; I431-V433 VanDerWaalsContact C-N 3.34Å; I431-V433 PolarHBondContact O-N 3.47Å; V433-A436 PolarHBondContact O-N 2.95Å; V433-L437 HydrophobicContact CG1-CD1 4.02Å; V433-L437 HydrophobicContact CG1-CG 4.43Å; V433-L437 WeakPolarHBondContact O-CB 3.5Å; V433-L437 VanDerWaalsContact O-CG 3.31Å; V433-L437 WeakPolarHBondContact O-CG 3.35Å; V433-L437 PolarHBondContact O-N 3.02Å |
| 434 | I | 87.8 | Confident | 85.1 | Confident | 90 Ų | 90 | 96.2 Ų | 96.2 | 46% | 0.462 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 175.4 | -71.3 | 167.8 | 0 | 0 | 0 | 110.5 | L430 I431 A436 L437 M438 | L430-I434 HydrophobicContact CD2-CD1 3.45Å; L430-I434 VanDerWaalsContact CD2-CD1 3.45Å; L430-I434 HydrophobicContact CD2-CG1 3.94Å; L430-I434 WeakPolarHBondContact O-CG1 3.33Å; L430-I434 PolarHBondContact O-N 2.91Å; I431-I434 PolarHBondContact O-N 3.38Å; I434-A436 VanDerWaalsContact C-N 3.33Å; I434-A436 PolarHBondContact O-N 3.5Å; I434-L437 PolarHBondContact O-N 3.09Å; I434-M438 HydrophobicContact CG2-CG 4.21Å; I434-M438 WeakPolarHBondContact O-CB 3.38Å; I434-M438 VanDerWaalsContact O-CG 3.26Å; I434-M438 WeakPolarHBondContact O-CG 3.47Å; I434-M438 PolarHBondContact O-N 3Å |
| 435 | L | 88.7 | Confident | 86 | Confident | 107 Ų | 107 | 92.5 Ų | 92.5 | 56% | 0.56 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.3 | -40.2 | 175.8 | -71.8 | 171.9 | 0 | 0 | 0 | 111.7 | I431 A439 | I431-L435 HydrophobicContact CG2-CD1 3.88Å; I431-L435 HydrophobicContact CG2-CG 4.34Å; I431-L435 WeakPolarHBondContact O-CB 3.45Å; I431-L435 VanDerWaalsContact O-CG 3.29Å; I431-L435 WeakPolarHBondContact O-CG 3.38Å; I431-L435 PolarHBondContact O-N 3.23Å; L435-A439 VanDerWaalsContact O-CB 3.26Å; L435-A439 WeakPolarHBondContact O-CB 3.36Å; L435-A439 PolarHBondContact O-N 2.99Å |
| 436 | A | 89.6 | Confident | 86.5 | Confident | 54 Ų | 54 | 93.1 Ų | 93.1 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N432 V433 I434 A439 V440 | N432-A436 WeakPolarHBondContact O-CB 3.38Å; N432-A436 PolarHBondContact O-N 2.96Å; V433-A436 PolarHBondContact O-N 2.95Å; I434-A436 VanDerWaalsContact C-N 3.33Å; I434-A436 PolarHBondContact O-N 3.5Å; A436-A439 PolarHBondContact O-N 3.43Å; A436-V440 WeakPolarHBondContact O-CB 3.38Å; A436-V440 VanDerWaalsContact O-CG2 3.31Å; A436-V440 WeakPolarHBondContact O-CG2 3.5Å; A436-V440 PolarHBondContact O-N 2.89Å |
| 437 | L | 89.4 | Confident | 86.9 | Confident | 104 Ų | 104 | 91.5 Ų | 91.5 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 176.2 | -72.8 | 171.6 | 0 | 0 | 0 | 112.2 | V433 I434 V440 L441 | V433-L437 HydrophobicContact CG1-CD1 4.02Å; V433-L437 HydrophobicContact CG1-CG 4.43Å; V433-L437 WeakPolarHBondContact O-CB 3.5Å; V433-L437 VanDerWaalsContact O-CG 3.31Å; V433-L437 WeakPolarHBondContact O-CG 3.35Å; V433-L437 PolarHBondContact O-N 3.02Å; I434-L437 PolarHBondContact O-N 3.09Å; L437-V440 PolarHBondContact O-N 3.28Å; L437-L441 WeakPolarHBondContact O-CB 3.11Å; L437-L441 PolarHBondContact O-N 3.46Å |
| 438 | M | 89.3 | Confident | 86.9 | Confident | 104 Ų | 104 | 91.6 Ų | 91.6 | 51% | 0.512 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.7 | -38.9 | 175 | -70.9 | -62.7 | -69.6 | 0 | 0 | 111.5 | I434 L441 L442 | I434-M438 HydrophobicContact CG2-CG 4.21Å; I434-M438 WeakPolarHBondContact O-CB 3.38Å; I434-M438 VanDerWaalsContact O-CG 3.26Å; I434-M438 WeakPolarHBondContact O-CG 3.47Å; I434-M438 PolarHBondContact O-N 3Å; M438-L441 PolarHBondContact O-N 3.48Å; M438-L441 HydrophobicContact SD-CD1 4.44Å; M438-L442 WeakPolarHBondContact O-CB 3.08Å; M438-L442 VanDerWaalsContact O-CG 3.27Å; M438-L442 WeakPolarHBondContact O-CG 3.46Å; M438-L442 PolarHBondContact O-N 3.09Å |
| 439 | A | 89.3 | Confident | 86.8 | Confident | 51 Ų | 51 | 91.9 Ų | 91.9 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L435 A436 L442 V443 | L435-A439 VanDerWaalsContact O-CB 3.26Å; L435-A439 WeakPolarHBondContact O-CB 3.36Å; L435-A439 PolarHBondContact O-N 2.99Å; A436-A439 PolarHBondContact O-N 3.43Å; A439-L442 PolarHBondContact O-N 2.74Å; A439-V443 WeakPolarHBondContact O-CG2 3.5Å; A439-V443 PolarHBondContact O-N 3.12Å |
| 440 | V | 91.9 | Very high | 86.4 | Confident | 77 Ų | 77 | 90.5 Ų | 90.5 | 47% | 0.467 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 174.7 | 168.5 | 0 | 0 | 0 | 0 | 111 | A436 L437 L442 V443 F444 | A436-V440 WeakPolarHBondContact O-CB 3.38Å; A436-V440 VanDerWaalsContact O-CG2 3.31Å; A436-V440 WeakPolarHBondContact O-CG2 3.5Å; A436-V440 PolarHBondContact O-N 2.89Å; L437-V440 PolarHBondContact O-N 3.28Å; V440-L442 PolarHBondContact O-N 3.33Å; V440-V443 PolarHBondContact O-N 2.87Å; V440-F444 HydrophobicContact CG1-CD2 3.78Å; V440-F444 HydrophobicContact CG1-CE2 3.79Å; V440-F444 WeakPolarHBondContact O-CD2 3.36Å; V440-F444 PolarHBondContact O-N 3.16Å |
| 441 | L | 87.1 | Confident | 85.8 | Confident | 102 Ų | 102 | 92.7 Ų | 92.7 | 53% | 0.534 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | 174.1 | -83.7 | 168.1 | 0 | 0 | 0 | 112.2 | L437 M438 V443 F444 V445 | L437-L441 WeakPolarHBondContact O-CB 3.11Å; L437-L441 PolarHBondContact O-N 3.46Å; M438-L441 PolarHBondContact O-N 3.48Å; M438-L441 HydrophobicContact SD-CD1 4.44Å; L441-V443 VanDerWaalsContact C-N 3.35Å; L441-V443 PolarHBondContact O-N 2.72Å; L441-F444 PolarHBondContact O-N 2.86Å; L441-V445 WeakPolarHBondContact O-CG2 3.33Å; L441-V445 PolarHBondContact O-N 2.92Å |
| 442 | L | 87.6 | Confident | 84.9 | Confident | 117 Ų | 117 | 92.2 Ų | 92.2 | 61% | 0.613 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.5 | -35.9 | 175.7 | -76.3 | 168.4 | 0 | 0 | 0 | 112.3 | M438 A439 V440 S446 | M438-L442 WeakPolarHBondContact O-CB 3.08Å; M438-L442 VanDerWaalsContact O-CG 3.27Å; M438-L442 WeakPolarHBondContact O-CG 3.46Å; M438-L442 PolarHBondContact O-N 3.09Å; A439-L442 PolarHBondContact O-N 2.74Å; V440-L442 PolarHBondContact O-N 3.33Å; L442-S446 WeakPolarHBondContact O-CB 3.35Å; L442-S446 PolarHBondContact O-N 2.94Å |
| 443 | V | 89.2 | Confident | 84 | Confident | 93 Ų | 93 | 91 Ų | 91 | 56% | 0.564 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.2 | -39.4 | 172 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | A439 V440 L441 S446 T447 | A439-V443 WeakPolarHBondContact O-CG2 3.5Å; A439-V443 PolarHBondContact O-N 3.12Å; V440-V443 PolarHBondContact O-N 2.87Å; L441-V443 VanDerWaalsContact C-N 3.35Å; L441-V443 PolarHBondContact O-N 2.72Å; V443-S446 PolarHBondContact O-N 2.99Å; V443-T447 WeakPolarHBondContact O-CB 3.4Å; V443-T447 WeakPolarHBondContact O-CG2 3.34Å; V443-T447 PolarHBondContact O-N 3.1Å; V443-T447 PolarHBondContact O-OG1 3.35Å |
| 444 | F | 84.8 | Confident | 82.7 | Confident | 131 Ų | 131 | 90.5 Ų | 90.5 | 58% | 0.575 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64 | -46.8 | 172.7 | -90.1 | -71.2 | 0 | 0 | 0 | 112.5 | V440 L441 S446 T447 L448 | V440-F444 HydrophobicContact CG1-CD2 3.78Å; V440-F444 HydrophobicContact CG1-CE2 3.79Å; V440-F444 WeakPolarHBondContact O-CD2 3.36Å; V440-F444 PolarHBondContact O-N 3.16Å; L441-F444 PolarHBondContact O-N 2.86Å; F444-S446 VanDerWaalsContact C-N 3.33Å; F444-S446 PolarHBondContact O-N 2.84Å; F444-T447 WeakPolarHBondContact CA-OG1 3.39Å; F444-T447 PolarHBondContact O-N 3.33Å; F444-T447 PolarHBondContact O-OG1 2.95Å; F444-L448 WeakPolarHBondContact O-CB 3.38Å; F444-L448 PolarHBondContact O-N 3.35Å |
| 445 | V | 85.9 | Confident | 81.3 | Confident | 93 Ų | 93 | 87.9 Ų | 87.9 | 56% | 0.564 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.7 | -38.8 | 176.8 | 172.5 | 0 | 0 | 0 | 0 | 111 | L441 L448 A449 | L441-V445 WeakPolarHBondContact O-CG2 3.33Å; L441-V445 PolarHBondContact O-N 2.92Å; V445-L448 PolarHBondContact O-N 2.96Å; V445-A449 VanDerWaalsContact O-CB 3.25Å; V445-A449 WeakPolarHBondContact O-CB 3.48Å; V445-A449 PolarHBondContact O-N 2.95Å |
| 446 | S | 83.8 | Confident | 79.9 | Confident | 61 Ų | 61 | 89.8 Ų | 89.8 | 43% | 0.427 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68 | -39.6 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | L442 V443 F444 A449 N450 | L442-S446 WeakPolarHBondContact O-CB 3.35Å; L442-S446 PolarHBondContact O-N 2.94Å; V443-S446 PolarHBondContact O-N 2.99Å; F444-S446 VanDerWaalsContact C-N 3.33Å; F444-S446 PolarHBondContact O-N 2.84Å; S446-A449 PolarHBondContact O-N 3.45Å; S446-N450 VanDerWaalsContact O-CB 3.32Å; S446-N450 WeakPolarHBondContact O-CB 3.09Å; S446-N450 PolarHBondContact O-N 2.91Å; S446-N450 PolarHBondContact O-ND2 3.32Å; S446-N450 PolarHBondContact OG-ND2 3.37Å |
| 447 | T | 83.9 | Confident | 78.8 | Confident | 76 Ų | 76 | 95.8 Ų | 95.8 | 47% | 0.466 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.2 | -38.6 | 174.8 | 45.2 | 0 | 0 | 0 | 0 | 111.7 | V443 F444 N450 F451 | V443-T447 WeakPolarHBondContact O-CB 3.4Å; V443-T447 WeakPolarHBondContact O-CG2 3.34Å; V443-T447 PolarHBondContact O-N 3.1Å; V443-T447 PolarHBondContact O-OG1 3.35Å; F444-T447 WeakPolarHBondContact CA-OG1 3.39Å; F444-T447 PolarHBondContact O-N 3.33Å; F444-T447 PolarHBondContact O-OG1 2.95Å; T447-N450 PolarHBondContact O-N 3.08Å; T447-F451 WeakPolarHBondContact O-CB 3.45Å; T447-F451 PolarHBondContact O-N 2.94Å |
| 448 | L | 78.9 | Confident | 77.8 | Confident | 108 Ų | 108 | 94 Ų | 94 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.9 | -45.9 | 169.8 | -117.4 | 68.1 | 0 | 0 | 0 | 112 | F444 V445 N450 F451 I452 | F444-L448 WeakPolarHBondContact O-CB 3.38Å; F444-L448 PolarHBondContact O-N 3.35Å; V445-L448 PolarHBondContact O-N 2.96Å; L448-N450 VanDerWaalsContact C-N 3.35Å; L448-N450 PolarHBondContact O-N 3.15Å; L448-F451 CarbonylContact O-C 3.57Å; L448-F451 WeakPolarHBondContact O-CA 3.31Å; L448-F451 WeakPolarHBondContact O-CB 3.27Å; L448-F451 PolarHBondContact O-N 3.29Å; L448-F451 VanDerWaalsContact O-N 3.1Å; L448-I452 WeakPolarHBondContact O-CD1 3.5Å; L448-I452 VanDerWaalsContact O-CG1 3.24Å; L448-I452 WeakPolarHBondContact O-CG1 3.37Å; L448-I452 PolarHBondContact O-N 3.19Å |
| 449 | A | 77.6 | Confident | 77 | Confident | 45 Ų | 45 | 100.4 Ų | 100.4 | 37% | 0.372 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V445 S446 F451 I452 T453 | V445-A449 VanDerWaalsContact O-CB 3.25Å; V445-A449 WeakPolarHBondContact O-CB 3.48Å; V445-A449 PolarHBondContact O-N 2.95Å; S446-A449 PolarHBondContact O-N 3.45Å; A449-F451 VanDerWaalsContact C-N 3.31Å; A449-F451 PolarHBondContact O-N 3.5Å; A449-I452 PolarHBondContact O-N 2.6Å; A449-T453 WeakPolarHBondContact O-CB 3.44Å; A449-T453 PolarHBondContact O-N 2.83Å; A449-T453 PolarHBondContact O-OG1 3Å |
| 450 | N | 76.5 | Confident | 76.2 | Confident | 107 Ų | 107 | 101.6 Ų | 101.6 | 57% | 0.572 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.3 | -26.6 | 173.1 | -78.6 | -57.8 | 0 | 0 | 0 | 112.8 | S446 T447 L448 P454 | S446-N450 VanDerWaalsContact O-CB 3.32Å; S446-N450 WeakPolarHBondContact O-CB 3.09Å; S446-N450 PolarHBondContact O-N 2.91Å; S446-N450 PolarHBondContact O-ND2 3.32Å; S446-N450 PolarHBondContact OG-ND2 3.37Å; T447-N450 PolarHBondContact O-N 3.08Å; L448-N450 VanDerWaalsContact C-N 3.35Å; L448-N450 PolarHBondContact O-N 3.15Å; N450-P454 WeakPolarHBondContact O-CD 3.36Å |
| 451 | F | 72.2 | Confident | 75.2 | Confident | 146 Ų | 146 | 105.5 Ų | 105.5 | 64% | 0.64 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -75.2 | -34.9 | 170.4 | -169.5 | -98.6 | 0 | 0 | 0 | 112.3 | T447 L448 A449 P454 L455 | T447-F451 WeakPolarHBondContact O-CB 3.45Å; T447-F451 PolarHBondContact O-N 2.94Å; L448-F451 CarbonylContact O-C 3.57Å; L448-F451 WeakPolarHBondContact O-CA 3.31Å; L448-F451 WeakPolarHBondContact O-CB 3.27Å; L448-F451 PolarHBondContact O-N 3.29Å; L448-F451 VanDerWaalsContact O-N 3.1Å; A449-F451 VanDerWaalsContact C-N 3.31Å; A449-F451 PolarHBondContact O-N 3.5Å; F451-P454 WeakPolarHBondContact O-CD 3.4Å; F451-P454 WeakPolarHBondContact O-CG 3.49Å; F451-L455 HydrophobicContact CD1-CD1 4Å; F451-L455 HydrophobicContact CE1-CD1 3.94Å; F451-L455 WeakPolarHBondContact O-CD1 3.28Å; F451-L455 WeakPolarHBondContact O-CG 3.43Å |
| 452 | I | 69.9 | Low | 74.8 | Confident | 78 Ų | 78 | 103.5 Ų | 103.5 | 40% | 0.4 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -77.5 | -34.1 | 179 | -66.9 | 161.5 | 0 | 0 | 0 | 112.3 | L448 A449 L455 M456 | L448-I452 WeakPolarHBondContact O-CD1 3.5Å; L448-I452 VanDerWaalsContact O-CG1 3.24Å; L448-I452 WeakPolarHBondContact O-CG1 3.37Å; L448-I452 PolarHBondContact O-N 3.19Å; A449-I452 PolarHBondContact O-N 2.6Å; I452-L455 WeakPolarHBondContact O-CA 3.23Å; I452-L455 WeakPolarHBondContact O-CB 3.3Å; I452-L455 PolarHBondContact O-N 2.97Å; I452-M456 HydrophobicContact CG2-CG 3.9Å; I452-M456 HydrophobicContact CG2-SD 3.9Å; I452-M456 PolarHBondContact O-N 3.11Å |
| 453 | T | 68.6 | Low | 74.3 | Confident | 86 Ų | 86 | 100.3 Ų | 100.3 | 53% | 0.528 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -51.6 | -49.1 | 178.6 | -62.6 | 0 | 0 | 0 | 0 | 114.6 | A449 L455 | A449-T453 WeakPolarHBondContact O-CB 3.44Å; A449-T453 PolarHBondContact O-N 2.83Å; A449-T453 PolarHBondContact O-OG1 3Å; T453-L455 VanDerWaalsContact C-N 3.29Å; T453-L455 PolarHBondContact O-N 2.91Å |
| 454 | P | 64.1 | Low | 73.9 | Confident | 70 Ų | 70 | 98.6 Ų | 98.6 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.1 | -20.2 | 175.4 | 28.9 | -36.2 | 0 | 0 | 0 | 113.5 | N450 F451 | N450-P454 WeakPolarHBondContact O-CD 3.36Å; F451-P454 WeakPolarHBondContact O-CD 3.4Å; F451-P454 WeakPolarHBondContact O-CG 3.49Å |
| 455 | L | 59 | Low | 73.6 | Confident | 35 Ų | 35 | 94.6 Ų | 94.6 | 18% | 0.183 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -76.1 | -45.6 | 177.3 | -63.6 | 174.2 | 0 | 0 | 0 | 111.3 | F451 I452 T453 K457 R461 V462 T465 | F451-L455 HydrophobicContact CD1-CD1 4Å; F451-L455 HydrophobicContact CE1-CD1 3.94Å; F451-L455 WeakPolarHBondContact O-CD1 3.28Å; F451-L455 WeakPolarHBondContact O-CG 3.43Å; I452-L455 WeakPolarHBondContact O-CA 3.23Å; I452-L455 WeakPolarHBondContact O-CB 3.3Å; I452-L455 PolarHBondContact O-N 2.97Å; T453-L455 VanDerWaalsContact C-N 3.29Å; T453-L455 PolarHBondContact O-N 2.91Å; L455-K457 PolarHBondContact O-N 3.05Å; L455-R461 HydrophobicContact CD2-CB 4.35Å; L455-V462 WeakPolarHBondContact O-CG2 3.36Å; L455-T465 HydrophobicContact CD1-CG2 3.86Å; L455-T465 HydrophobicContact CD2-CG2 3.53Å; L455-T465 HydrophobicContact CG-CG2 4.28Å |
| 456 | M | 60.1 | Low | 73.4 | Confident | 147 Ų | 147 | 93.9 Ų | 93.9 | 72% | 0.724 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.9 | -18.7 | 179.2 | -68 | -171.6 | 74.8 | 0 | 0 | 114 | I452 T458 | I452-M456 HydrophobicContact CG2-CG 3.9Å; I452-M456 HydrophobicContact CG2-SD 3.9Å; I452-M456 PolarHBondContact O-N 3.11Å; M456-T458 VanDerWaalsContact C-N 3.33Å; M456-T458 PolarHBondContact O-N 3.24Å |
| 457 | K | 65.8 | Low | 73.3 | Confident | 181 Ų | 181 | 96.2 Ų | 96.2 | 79% | 0.787 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -13.1 | -173.4 | -152 | 161.8 | -172.9 | 165.7 | 0 | 114.6 | L455 | L455-K457 PolarHBondContact O-N 3.05Š|
| 458 | T | 69.4 | Low | 73.3 | Confident | 67 Ų | 67 | 97.5 Ų | 97.5 | 41% | 0.411 | 52% | 0.519 | S | S | . | . | trans | -142.1 | 126.6 | 175.8 | 52.1 | 0 | 0 | 0 | 0 | 112.2 | M456 A460 R461 V462 | M456-T458 VanDerWaalsContact C-N 3.33Å; M456-T458 PolarHBondContact O-N 3.24Å; T458-A460 PolarHBondContact O-N 3.01Å; T458-A460 VanDerWaalsContact O-N 3.14Å; T458-R461 PolarHBondContact O-N 2.68Å; T458-R461 WeakPolarHBondContact OG1-CB 3.38Å; T458-R461 WeakPolarHBondContact OG1-CD 3.38Å; T458-R461 VanDerWaalsContact OG1-CG 3.31Å; T458-R461 WeakPolarHBondContact OG1-CG 3.28Å; T458-V462 PolarHBondContact O-N 2.82Å | ||
| 459 | R | 71.3 | Confident | 73.5 | Confident | 237 Ų | 237 | 95.2 Ų | 95.2 | 89% | 0.894 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -54.9 | -35.9 | -176.4 | -64.2 | -177.3 | -179.8 | -179.5 | -0.2 | 113.3 | A463 | R459-A463 PolarHBondContact O-N 3.36Å; R459-A463 VanDerWaalsContact O-N 3.13Å |
| 460 | A | 72.3 | Confident | 73.9 | Confident | 77 Ų | 77 | 97.4 Ų | 97.4 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.1 | -34.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T458 A464 | T458-A460 PolarHBondContact O-N 3.01Å; T458-A460 VanDerWaalsContact O-N 3.14Å; A460-A464 WeakPolarHBondContact O-CB 3.29Å; A460-A464 PolarHBondContact O-N 3.5Å |
| 461 | R | 72.4 | Confident | 74.1 | Confident | 158 Ų | 158 | 97.2 Ų | 97.2 | 60% | 0.596 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -77.2 | -37.3 | 178.7 | -68.7 | -170.9 | -176.3 | -142.3 | 1 | 112 | L455 T458 A463 A464 T465 | L455-R461 HydrophobicContact CD2-CB 4.35Å; T458-R461 PolarHBondContact O-N 2.68Å; T458-R461 WeakPolarHBondContact OG1-CB 3.38Å; T458-R461 WeakPolarHBondContact OG1-CD 3.38Å; T458-R461 VanDerWaalsContact OG1-CG 3.31Å; T458-R461 WeakPolarHBondContact OG1-CG 3.28Å; R461-A463 VanDerWaalsContact C-N 3.34Å; R461-A463 PolarHBondContact O-N 2.93Å; R461-A464 PolarHBondContact O-N 3.45Å; R461-T465 PolarHBondContact O-N 3.49Å; R461-T465 PolarHBondContact O-OG1 3.32Å; R461-T465 VanDerWaalsContact O-OG1 3.05Å |
| 462 | V | 77.6 | Confident | 74.6 | Confident | 60 Ų | 60 | 95.1 Ų | 95.1 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56.2 | -50.2 | 169.8 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | L455 T458 A464 T465 V466 | L455-V462 WeakPolarHBondContact O-CG2 3.36Å; T458-V462 PolarHBondContact O-N 2.82Å; V462-A464 PolarHBondContact O-N 3.23Å; V462-T465 PolarHBondContact O-N 2.94Å; V462-T465 PolarHBondContact O-OG1 2.88Å; V462-V466 HydrophobicContact CG1-CG2 4.43Å; V462-V466 WeakPolarHBondContact O-CG2 3.49Å; V462-V466 PolarHBondContact O-N 3.37Å |
| 463 | A | 77.9 | Confident | 75.4 | Confident | 51 Ų | 51 | 97.7 Ų | 97.7 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R459 R461 T465 V466 L467 | R459-A463 PolarHBondContact O-N 3.36Å; R459-A463 VanDerWaalsContact O-N 3.13Å; R461-A463 VanDerWaalsContact C-N 3.34Å; R461-A463 PolarHBondContact O-N 2.93Å; A463-T465 PolarHBondContact O-N 3.26Å; A463-V466 PolarHBondContact O-N 3.4Å; A463-L467 WeakPolarHBondContact O-CB 3.34Å; A463-L467 WeakPolarHBondContact O-CG 3.45Å; A463-L467 PolarHBondContact O-N 3.09Å |
| 464 | A | 79.5 | Confident | 76 | Confident | 57 Ų | 57 | 98.1 Ų | 98.1 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -40 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A460 R461 V462 L467 L468 | A460-A464 WeakPolarHBondContact O-CB 3.29Å; A460-A464 PolarHBondContact O-N 3.5Å; R461-A464 PolarHBondContact O-N 3.45Å; V462-A464 PolarHBondContact O-N 3.23Å; A464-L467 PolarHBondContact O-N 2.86Å; A464-L468 WeakPolarHBondContact O-CB 3.45Å; A464-L468 PolarHBondContact O-N 3.08Å |
| 465 | T | 79.9 | Confident | 76.8 | Confident | 47 Ų | 47 | 98.6 Ų | 98.6 | 29% | 0.288 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -73.2 | -32.9 | 177.1 | 47.9 | 0 | 0 | 0 | 0 | 113.8 | L455 R461 V462 A463 L468 A469 | L455-T465 HydrophobicContact CD1-CG2 3.86Å; L455-T465 HydrophobicContact CD2-CG2 3.53Å; L455-T465 HydrophobicContact CG-CG2 4.28Å; R461-T465 PolarHBondContact O-N 3.49Å; R461-T465 PolarHBondContact O-OG1 3.32Å; R461-T465 VanDerWaalsContact O-OG1 3.05Å; V462-T465 PolarHBondContact O-N 2.94Å; V462-T465 PolarHBondContact O-OG1 2.88Å; A463-T465 PolarHBondContact O-N 3.26Å; T465-L468 PolarHBondContact O-N 3.38Å; T465-A469 VanDerWaalsContact O-CB 3.3Å; T465-A469 WeakPolarHBondContact O-CB 3.4Å; T465-A469 PolarHBondContact O-N 2.78Å |
| 466 | V | 81.1 | Confident | 77.7 | Confident | 78 Ų | 78 | 106.6 Ų | 106.6 | 47% | 0.473 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.6 | -42.1 | 172.5 | 171.5 | 0 | 0 | 0 | 0 | 110.2 | V462 A463 A469 L470 | V462-V466 HydrophobicContact CG1-CG2 4.43Å; V462-V466 WeakPolarHBondContact O-CG2 3.49Å; V462-V466 PolarHBondContact O-N 3.37Å; A463-V466 PolarHBondContact O-N 3.4Å; V466-A469 PolarHBondContact O-N 2.9Å; V466-L470 HydrophobicContact CG1-CD1 4Å; V466-L470 HydrophobicContact CG1-CG 4.45Å; V466-L470 WeakPolarHBondContact O-CB 3.2Å; V466-L470 VanDerWaalsContact O-CG 3.28Å; V466-L470 WeakPolarHBondContact O-CG 3.24Å; V466-L470 PolarHBondContact O-N 2.88Å |
| 467 | L | 81.8 | Confident | 78.6 | Confident | 109 Ų | 109 | 107.2 Ų | 107.2 | 57% | 0.571 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.5 | -43.3 | 173.2 | -72.7 | 169.9 | 0 | 0 | 0 | 112 | A463 A464 L470 L471 | A463-L467 WeakPolarHBondContact O-CB 3.34Å; A463-L467 WeakPolarHBondContact O-CG 3.45Å; A463-L467 PolarHBondContact O-N 3.09Å; A464-L467 PolarHBondContact O-N 2.86Å; L467-L470 PolarHBondContact O-N 2.99Å; L467-L471 WeakPolarHBondContact O-CB 3.42Å; L467-L471 VanDerWaalsContact O-CG 3.28Å; L467-L471 WeakPolarHBondContact O-CG 3.28Å; L467-L471 PolarHBondContact O-N 3.4Å |
| 468 | L | 83.8 | Confident | 79 | Confident | 104 Ų | 104 | 102.7 Ų | 102.7 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 174.8 | -170 | 81.5 | 0 | 0 | 0 | 111.6 | A464 T465 L471 L472 | A464-L468 WeakPolarHBondContact O-CB 3.45Å; A464-L468 PolarHBondContact O-N 3.08Å; T465-L468 PolarHBondContact O-N 3.38Å; L468-L471 PolarHBondContact O-N 3.31Å; L468-L472 HydrophobicContact CD2-CD1 4.48Å; L468-L472 HydrophobicContact CG-CD1 4.24Å; L468-L472 WeakPolarHBondContact O-CB 3.47Å; L468-L472 WeakPolarHBondContact O-CG 3.49Å; L468-L472 PolarHBondContact O-N 2.96Å |
| 469 | A | 83.9 | Confident | 79 | Confident | 59 Ų | 59 | 106.4 Ų | 106.4 | 49% | 0.488 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T465 V466 L472 F473 | T465-A469 VanDerWaalsContact O-CB 3.3Å; T465-A469 WeakPolarHBondContact O-CB 3.4Å; T465-A469 PolarHBondContact O-N 2.78Å; V466-A469 PolarHBondContact O-N 2.9Å; A469-L472 PolarHBondContact O-N 3.24Å; A469-F473 VanDerWaalsContact O-CB 3.3Å; A469-F473 WeakPolarHBondContact O-CB 3.44Å; A469-F473 PolarHBondContact O-N 2.82Å |
| 470 | L | 84.3 | Confident | 78.8 | Confident | 91 Ų | 91 | 101.6 Ų | 101.6 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 173 | -73.4 | 170.2 | 0 | 0 | 0 | 111.6 | V466 L467 F473 I474 | V466-L470 HydrophobicContact CG1-CD1 4Å; V466-L470 HydrophobicContact CG1-CG 4.45Å; V466-L470 WeakPolarHBondContact O-CB 3.2Å; V466-L470 VanDerWaalsContact O-CG 3.28Å; V466-L470 WeakPolarHBondContact O-CG 3.24Å; V466-L470 PolarHBondContact O-N 2.88Å; L467-L470 PolarHBondContact O-N 2.99Å; L470-F473 PolarHBondContact O-N 2.69Å; L470-I474 WeakPolarHBondContact O-CB 3.5Å; L470-I474 WeakPolarHBondContact O-CD1 3.46Å; L470-I474 WeakPolarHBondContact O-CG1 3.41Å; L470-I474 PolarHBondContact O-N 3.1Å |
| 471 | L | 82.3 | Confident | 78.2 | Confident | 104 Ų | 104 | 103.7 Ų | 103.7 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 174.5 | -74.5 | 170.5 | 0 | 0 | 0 | 111.7 | L467 L468 I474 L475 | L467-L471 WeakPolarHBondContact O-CB 3.42Å; L467-L471 VanDerWaalsContact O-CG 3.28Å; L467-L471 WeakPolarHBondContact O-CG 3.28Å; L467-L471 PolarHBondContact O-N 3.4Å; L468-L471 PolarHBondContact O-N 3.31Å; L471-I474 PolarHBondContact O-N 2.86Å; L471-L475 WeakPolarHBondContact O-CB 3.41Å; L471-L475 VanDerWaalsContact O-CG 3.27Å; L471-L475 WeakPolarHBondContact O-CG 3.18Å; L471-L475 PolarHBondContact O-N 3.22Å |
| 472 | L | 82.9 | Confident | 77.9 | Confident | 101 Ų | 101 | 98 Ų | 98 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 174.8 | -74.5 | 171 | 0 | 0 | 0 | 112 | L468 A469 L475 W476 | L468-L472 HydrophobicContact CD2-CD1 4.48Å; L468-L472 HydrophobicContact CG-CD1 4.24Å; L468-L472 WeakPolarHBondContact O-CB 3.47Å; L468-L472 WeakPolarHBondContact O-CG 3.49Å; L468-L472 PolarHBondContact O-N 2.96Å; A469-L472 PolarHBondContact O-N 3.24Å; L472-L475 HydrophobicContact CD2-CD1 4.45Å; L472-L475 PolarHBondContact O-N 3.32Å; L472-W476 VanDerWaalsContact O-CB 3.31Å; L472-W476 WeakPolarHBondContact O-CB 3.39Å; L472-W476 PolarHBondContact O-N 3.48Å |
| 473 | F | 85.1 | Confident | 77.2 | Confident | 132 Ų | 132 | 100.8 Ų | 100.8 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.1 | -40.1 | 175.5 | -179.8 | -98.4 | 0 | 0 | 0 | 112.4 | A469 L470 W476 K477 | A469-F473 VanDerWaalsContact O-CB 3.3Å; A469-F473 WeakPolarHBondContact O-CB 3.44Å; A469-F473 PolarHBondContact O-N 2.82Å; L470-F473 PolarHBondContact O-N 2.69Å; F473-W476 PolarHBondContact O-N 3.04Å; F473-K477 WeakPolarHBondContact O-CB 3.39Å; F473-K477 PolarHBondContact O-N 3.34Å |
| 474 | I | 82 | Confident | 76.3 | Confident | 96 Ų | 96 | 104.8 Ų | 104.8 | 49% | 0.492 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.6 | -49.5 | 172.1 | -71.2 | 162.6 | 0 | 0 | 0 | 109.3 | L470 L471 W476 K477 Q478 | L470-I474 WeakPolarHBondContact O-CB 3.5Å; L470-I474 WeakPolarHBondContact O-CD1 3.46Å; L470-I474 WeakPolarHBondContact O-CG1 3.41Å; L470-I474 PolarHBondContact O-N 3.1Å; L471-I474 PolarHBondContact O-N 2.86Å; I474-W476 VanDerWaalsContact C-N 3.34Å; I474-W476 PolarHBondContact O-N 2.91Å; I474-K477 PolarHBondContact O-N 3.18Å; I474-Q478 WeakPolarHBondContact O-CB 3.35Å; I474-Q478 PolarHBondContact O-N 3.41Å |
| 475 | L | 80.8 | Confident | 75.6 | Confident | 79 Ų | 79 | 112.1 Ų | 112.1 | 41% | 0.414 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -54.4 | -50.7 | 174 | -77.4 | 162.8 | 0 | 0 | 0 | 110.4 | L471 L472 K477 Q478 W479 V482 | L471-L475 WeakPolarHBondContact O-CB 3.41Å; L471-L475 VanDerWaalsContact O-CG 3.27Å; L471-L475 WeakPolarHBondContact O-CG 3.18Å; L471-L475 PolarHBondContact O-N 3.22Å; L472-L475 HydrophobicContact CD2-CD1 4.45Å; L472-L475 PolarHBondContact O-N 3.32Å; L475-K477 PolarHBondContact O-N 3.26Å; L475-Q478 CarbonylContact O-C 3.59Å; L475-Q478 WeakPolarHBondContact O-CA 3.41Å; L475-Q478 PolarHBondContact O-N 3.35Å; L475-W479 VanDerWaalsContact O-CD1 3.23Å; L475-W479 PolarHBondContact O-N 3.17Å; L475-V482 HydrophobicContact CD2-CG2 4.12Å |
| 476 | W | 77.8 | Confident | 75 | Confident | 203 Ų | 203 | 116 Ų | 116 | 77% | 0.769 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.7 | -42.5 | -179.1 | -146 | 45.5 | 0 | 0 | 0 | 113.3 | L472 F473 I474 Q478 W479 | L472-W476 VanDerWaalsContact O-CB 3.31Å; L472-W476 WeakPolarHBondContact O-CB 3.39Å; L472-W476 PolarHBondContact O-N 3.48Å; F473-W476 PolarHBondContact O-N 3.04Å; I474-W476 VanDerWaalsContact C-N 3.34Å; I474-W476 PolarHBondContact O-N 2.91Å; W476-Q478 PolarHBondContact O-N 2.94Å; W476-W479 PolarHBondContact O-N 3.18Å |
| 477 | K | 80 | Confident | 73.8 | Confident | 160 Ų | 160 | 118.7 Ų | 118.7 | 70% | 0.696 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.5 | -28.3 | 171.6 | -177.4 | 178 | 176.4 | -178.2 | 0 | 112.7 | F473 I474 L475 | F473-K477 WeakPolarHBondContact O-CB 3.39Å; F473-K477 PolarHBondContact O-N 3.34Å; I474-K477 PolarHBondContact O-N 3.18Å; L475-K477 PolarHBondContact O-N 3.26Å |
| 478 | Q | 73.8 | Confident | 72.5 | Confident | 87 Ų | 87 | 119.1 Ų | 119.1 | 41% | 0.407 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102 | 12.4 | -175.6 | -152.9 | 69.6 | 30.6 | 0 | 0 | 112.1 | I474 L475 W476 D480 F481 V482 | I474-Q478 WeakPolarHBondContact O-CB 3.35Å; I474-Q478 PolarHBondContact O-N 3.41Å; L475-Q478 CarbonylContact O-C 3.59Å; L475-Q478 WeakPolarHBondContact O-CA 3.41Å; L475-Q478 PolarHBondContact O-N 3.35Å; W476-Q478 PolarHBondContact O-N 2.94Å; Q478-D480 VanDerWaalsContact C-N 3.26Å; Q478-D480 PolarHBondContact O-N 3.32Å; Q478-F481 HydrophobicContact CG-CB 3.84Å; Q478-F481 WeakPolarHBondContact O-CA 3.4Å; Q478-F481 WeakPolarHBondContact O-CB 3.48Å; Q478-F481 PolarHBondContact O-N 3.34Å; Q478-V482 WeakPolarHBondContact O-CG2 3.45Å; Q478-V482 PolarHBondContact O-N 3.44Å |
| 479 | W | 69.3 | Low | 70.6 | Confident | 145 Ų | 145 | 123.2 Ų | 123.2 | 55% | 0.549 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -59.8 | -38.2 | -176.9 | -109.5 | 70.8 | 0 | 0 | 0 | 111.2 | L475 W476 F481 V482 E483 | L475-W479 VanDerWaalsContact O-CD1 3.23Å; L475-W479 PolarHBondContact O-N 3.17Å; W476-W479 PolarHBondContact O-N 3.18Å; W479-F481 PolarHBondContact O-N 3.3Å; W479-F481 VanDerWaalsContact O-N 3.08Å; W479-V482 PolarHBondContact O-N 3.05Å; W479-E483 WeakPolarHBondContact O-CB 3.42Å; W479-E483 PolarHBondContact O-N 3.35Å |
| 480 | D | 65.6 | Low | 70 | Confident | 136 Ų | 136 | 126.5 Ų | 126.5 | 73% | 0.727 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -54 | -28.9 | 173.2 | -54.9 | -27.2 | 0 | 0 | 0 | 113.3 | Q478 | Q478-D480 VanDerWaalsContact C-N 3.26Å; Q478-D480 PolarHBondContact O-N 3.32Å |
| 481 | F | 60.2 | Low | 69.2 | Low | 120 Ų | 120 | 128.3 Ų | 128.3 | 53% | 0.526 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -94.1 | -26.4 | 178.9 | -147.3 | -87.5 | 0 | 0 | 0 | 112.6 | Q478 W479 | Q478-F481 HydrophobicContact CG-CB 3.84Å; Q478-F481 WeakPolarHBondContact O-CA 3.4Å; Q478-F481 WeakPolarHBondContact O-CB 3.48Å; Q478-F481 PolarHBondContact O-N 3.34Å; W479-F481 PolarHBondContact O-N 3.3Å; W479-F481 VanDerWaalsContact O-N 3.08Å |
| 482 | V | 66 | Low | 68.5 | Low | 40 Ų | 40 | 129.7 Ų | 129.7 | 24% | 0.242 | 64% | 0.637 | C | S | . | * | H | α-helix | trans | -79.2 | -38.1 | 178.3 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | L475 Q478 W479 L484 W485 L486 | L475-V482 HydrophobicContact CD2-CG2 4.12Å; Q478-V482 WeakPolarHBondContact O-CG2 3.45Å; Q478-V482 PolarHBondContact O-N 3.44Å; W479-V482 PolarHBondContact O-N 3.05Å; V482-L484 VanDerWaalsContact C-N 3.26Å; V482-L484 PolarHBondContact O-N 2.93Å; V482-W485 CarbonylContact O-C 3.15Å; V482-W485 PolarHBondContact O-N 3.19Å; V482-L486 HydrophobicContact CG1-CD1 3.88Å; V482-L486 WeakPolarHBondContact O-CB 3.49Å; V482-L486 PolarHBondContact O-N 3.37Å |
| 483 | E | 63.4 | Low | 67.6 | Low | 117 Ų | 117 | 131.4 Ų | 131.4 | 55% | 0.547 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -60.3 | -37.7 | 171.2 | -170.7 | 168.9 | -159.2 | 0 | 0 | 111.1 | W479 W485 L486 | W479-E483 WeakPolarHBondContact O-CB 3.42Å; W479-E483 PolarHBondContact O-N 3.35Å; E483-W485 PolarHBondContact O-N 3.06Å; E483-L486 PolarHBondContact O-N 2.84Å |
| 484 | L | 59.3 | Low | 66.6 | Low | 135 Ų | 135 | 131.3 Ų | 131.3 | 71% | 0.707 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67 | -15.3 | 172.8 | -148 | 92.4 | 0 | 0 | 0 | 114.3 | V482 | V482-L484 VanDerWaalsContact C-N 3.26Å; V482-L484 PolarHBondContact O-N 2.93Å |
| 485 | W | 63.6 | Low | 65.5 | Low | 211 Ų | 211 | 133.7 Ų | 133.7 | 80% | 0.799 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -108.1 | -19.5 | -179.1 | -114.8 | 82.4 | 0 | 0 | 0 | 113.4 | V482 E483 | V482-W485 CarbonylContact O-C 3.15Å; V482-W485 PolarHBondContact O-N 3.19Å; E483-W485 PolarHBondContact O-N 3.06Å |
| 486 | L | 68.7 | Low | 64.4 | Low | 128 Ų | 128 | 137.6 Ų | 137.6 | 67% | 0.67 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -91.2 | -6.5 | -179.7 | -100.4 | 164.1 | 0 | 0 | 0 | 114.1 | V482 E483 P488 | V482-L486 HydrophobicContact CG1-CD1 3.88Å; V482-L486 WeakPolarHBondContact O-CB 3.49Å; V482-L486 PolarHBondContact O-N 3.37Å; E483-L486 PolarHBondContact O-N 2.84Å; L486-P488 WeakPolarHBondContact O-CD 3.47Å |
| 487 | L | 54.8 | Low | 63.4 | Low | 136 Ų | 136 | 132.5 Ų | 132.5 | 71% | 0.712 | 67% | 0.668 | S | S | * | * | trans | -93.7 | 94.7 | 167.4 | -82 | 162.8 | 0 | 0 | 0 | 110.1 | ||||
| 488 | P | 54.3 | Low | 62 | Low | 117 Ų | 117 | 130.3 Ų | 130.3 | 76% | 0.76 | 67% | 0.665 | S | S | * | * | trans | -65.3 | 135.7 | 158.9 | 30.4 | -33.1 | 0 | 0 | 0 | 108.8 | L486 | L486-P488 WeakPolarHBondContact O-CD 3.47Š| ||
| 489 | S | 45.5 | Very low | 61 | Low | 191 Ų | 191 | 134.2 Ų | 134.2 | 100% | 1.336 | 69% | 0.689 | S | S | * | * | trans | -59.4 | 0 | 174.4 | 58.4 | 0 | 0 | 0 | 0 | 113.5 |
Retrieved 489 of 489 residues in 251.7 ms
(Link to these results)