| 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 | 38.9 | Very low | 36.8 | Very low | 238 Ų | 238 | 140.4 Ų | 140.4 | 100% | 1.172 | 85% | 0.852 | S | S | * | * | 0 | 78.4 | 0 | -60.9 | -75.5 | -142.5 | 0 | 0 | 107.1 | |||||
| 2 | A | 36.2 | Very low | 36.7 | Very low | 95 Ų | 95 | 147.9 Ų | 147.9 | 79% | 0.785 | 85% | 0.853 | S | S | * | * | 72.8 | 96.7 | 105.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 3 | A | 33.3 | Very low | 36.6 | Very low | 103 Ų | 103 | 148 Ų | 148 | 85% | 0.851 | 86% | 0.857 | S | S | * | * | 79.3 | 143.6 | 62.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 4 | A | 37 | Very low | 36.6 | Very low | 107 Ų | 107 | 144.9 Ų | 144.9 | 88% | 0.884 | 85% | 0.848 | S | S | * | * | trans | 81.9 | 123 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 5 | G | 34.6 | Very low | 36.6 | Very low | 70 Ų | 70 | 142 Ų | 142 | 72% | 0.722 | 85% | 0.847 | S | S | * | * | cis | 116.7 | 122.4 | 16.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 6 | L | 38.4 | Very low | 36.4 | Very low | 181 Ų | 181 | 139.6 Ų | 139.6 | 95% | 0.948 | 85% | 0.848 | S | S | * | * | trans | -168.8 | 100.9 | 143.2 | -101.5 | 169.2 | 0 | 0 | 0 | 109.2 | ||||
| 7 | A | 37.7 | Very low | 36.3 | Very low | 78 Ų | 78 | 141.3 Ų | 141.3 | 65% | 0.645 | 85% | 0.85 | S | S | * | * | trans | -88.6 | 169.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 8 | L | 37.9 | Very low | 36.1 | Very low | 154 Ų | 154 | 145.3 Ų | 145.3 | 81% | 0.806 | 85% | 0.854 | S | S | * | * | trans | 78 | 117.9 | 160.3 | -71.7 | 126.3 | 0 | 0 | 0 | 117.9 | ||||
| 9 | L | 37.5 | Very low | 36 | Very low | 163 Ų | 163 | 142.6 Ų | 142.6 | 85% | 0.853 | 85% | 0.85 | S | S | * | * | -159.3 | 85.7 | 115.7 | -99.1 | 158.3 | 0 | 0 | 0 | 109.9 | |||||
| 10 | C | 36.3 | Very low | 35.9 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | trans | -81 | 122.8 | 149.7 | -84.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 11 | R | 36.6 | Very low | 35.7 | Very low | 234 Ų | 234 | 146.2 Ų | 146.2 | 88% | 0.883 | 85% | 0.851 | S | S | * | * | trans | -140.9 | 118 | 151.6 | -101.8 | -173.2 | -178.1 | -173.5 | 0.9 | 110.8 | ||||
| 12 | R | 36.7 | Very low | 35.4 | Very low | 231 Ų | 231 | 139.7 Ų | 139.7 | 87% | 0.872 | 83% | 0.829 | S | S | * | * | trans | -47 | 142.5 | 163.1 | -65.6 | 171.7 | 167 | 176.4 | -5.2 | 111.3 | ||||
| 13 | V | 35.1 | Very low | 35.4 | Very low | 149 Ų | 149 | 143.1 Ų | 143.1 | 90% | 0.903 | 83% | 0.834 | S | S | * | * | trans | -137.1 | 118.2 | 140.6 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 14 | S | 35.8 | Very low | 35.5 | Very low | 105 Ų | 105 | 146 Ų | 146 | 73% | 0.734 | 83% | 0.833 | S | S | * | * | trans | -81.1 | 160.6 | 175.6 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 15 | A | 36.7 | Very low | 35.5 | Very low | 101 Ų | 101 | 146.1 Ų | 146.1 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | trans | -23.5 | 141.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 16 | A | 34.2 | Very low | 35.5 | Very low | 103 Ų | 103 | 148.6 Ų | 148.6 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | trans | -146.8 | 120.3 | 142.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 17 | L | 34.9 | Very low | 35.4 | Very low | 169 Ų | 169 | 148.4 Ų | 148.4 | 89% | 0.885 | 82% | 0.82 | S | S | * | * | trans | -62.6 | 140.5 | 167.5 | -74.1 | 136.2 | 0 | 0 | 0 | 110.9 | ||||
| 18 | K | 32.8 | Very low | 35.4 | Very low | 213 Ų | 213 | 150.8 Ų | 150.8 | 93% | 0.926 | 83% | 0.827 | S | S | * | * | trans | -158.9 | 126.2 | 135.2 | -112.8 | 165.1 | -173.2 | 177.3 | 0 | 111.8 | ||||
| 19 | A | 33.6 | Very low | 35.6 | Very low | 95 Ų | 95 | 149.2 Ų | 149.2 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | trans | -68.5 | 153 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 20 | S | 33.4 | Very low | 35.5 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | -170.6 | 121.3 | 127.8 | 37.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 21 | R | 31.1 | Very low | 35.3 | Very low | 247 Ų | 247 | 146.7 Ų | 146.7 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | trans | 40 | 140.1 | 134.3 | -74.9 | 176.8 | 166.4 | -176.5 | -5.3 | 118.8 | ||||
| 22 | S | 33 | Very low | 35.2 | Very low | 101 Ų | 101 | 142 Ų | 142 | 71% | 0.706 | 83% | 0.825 | S | S | * | * | cis | -166.4 | 149.4 | 18 | 38.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 23 | L | 37.1 | Very low | 35.1 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -66.5 | 134.2 | 167.7 | -66.8 | 158.3 | 0 | 0 | 0 | 110.4 | ||||
| 24 | I | 35.1 | Very low | 35 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | trans | -118.9 | 101.4 | 164 | -61.4 | 177 | 0 | 0 | 0 | 107.4 | ||||
| 25 | T | 37 | Very low | 35 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 68% | 0.681 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 137.6 | 161.8 | -3.6 | 0 | 0 | 0 | 0 | 107.3 | Q27 | T25-Q27 PolarHBondContact O-N 2.95Š|
| 26 | P | 35.5 | Very low | 35.2 | Very low | 121 Ų | 121 | 144 Ų | 144 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -79 | 122.6 | 176.5 | 30 | -29.1 | 0 | 0 | 0 | 110.4 | ||
| 27 | Q | 35.8 | Very low | 35.3 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -95 | 135.1 | 169.4 | -73.4 | -73.1 | -1.1 | 0 | 0 | 109.7 | T25 | T25-Q27 PolarHBondContact O-N 2.95Š|
| 28 | V | 37.2 | Very low | 35.5 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 132.9 | 172 | 174.7 | 0 | 0 | 0 | 0 | 108.4 | ||
| 29 | P | 41.7 | Very low | 35.9 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 120.6 | 174.1 | 32 | -27.5 | 0 | 0 | 0 | 110.6 | ||
| 30 | A | 35.4 | Very low | 36.4 | Very low | 102 Ų | 102 | 140.8 Ų | 140.8 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 126.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 31 | C | 31.8 | Very low | 37.1 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 145.8 | -173 | -68.1 | 0 | 0 | 0 | 0 | 113 | ||
| 32 | T | 35.6 | Very low | 37.4 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 131.4 | 165.6 | 34.9 | 0 | 0 | 0 | 0 | 111.2 | ||
| 33 | G | 33.6 | Very low | 38.1 | Very low | 70 Ų | 70 | 139.4 Ų | 139.4 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | -149.2 | 100.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 34 | F | 34.7 | Very low | 38.5 | Very low | 182 Ų | 182 | 136.7 Ų | 136.7 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | trans | -65.9 | 134.8 | 173.6 | -89.3 | -101 | 0 | 0 | 0 | 110.9 | ||||
| 35 | F | 34.4 | Very low | 39.2 | Very low | 209 Ų | 209 | 136.1 Ų | 136.1 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | -139.2 | 119.6 | 147 | -80 | -75.9 | 0 | 0 | 0 | 109.5 | ||||
| 36 | L | 42.3 | Very low | 39.4 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | trans | -65.9 | 134.1 | 164.7 | -98.1 | 114.2 | 0 | 0 | 0 | 109.4 | ||||
| 37 | G | 34.6 | Very low | 39.7 | Very low | 74 Ų | 74 | 136.9 Ų | 136.9 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | trans | -154.8 | 119.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 38 | L | 39.3 | Very low | 40.4 | Very low | 169 Ų | 169 | 133 Ų | 133 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | trans | -64.2 | 149.7 | -168.6 | -68 | 141.1 | 0 | 0 | 0 | 114 | ||||
| 39 | L | 42 | Very low | 40.4 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | -55.3 | 153.4 | 164 | -124.2 | 102.9 | 0 | 0 | 0 | 110.8 | K41 | L39-K41 HydrophobicContact CD2-CG 3.77Š| ||
| 40 | P | 44.1 | Very low | 40.5 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | -137.1 | 153.9 | 102.8 | 32.9 | -19 | 0 | 0 | 0 | 114.9 | |||||
| 41 | K | 48.5 | Very low | 41 | Very low | 191 Ų | 191 | 141.4 Ų | 141.4 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | trans | -59.6 | 135.2 | 175.3 | -63.3 | 169.1 | 175.1 | 173.1 | 0 | 110.9 | L39 | L39-K41 HydrophobicContact CD2-CG 3.77Š| ||
| 42 | S | 36.4 | Very low | 41.6 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -159.7 | 104 | 149.2 | 178.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 43 | T | 48.1 | Very low | 41.9 | Very low | 134 Ų | 134 | 148 Ų | 148 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -80.5 | 133.7 | 156.2 | 46.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 44 | P | 45.3 | Very low | 42.4 | Very low | 110 Ų | 110 | 151.1 Ų | 151.1 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | trans | -118.6 | 134.8 | 131.6 | 29.8 | -19.8 | 0 | 0 | 0 | 110.2 | ||||
| 45 | N | 51 | Low | 42.8 | Very low | 151 Ų | 151 | 148.7 Ų | 148.7 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | -51.9 | 169.4 | 159.8 | -71.4 | -48.2 | 0 | 0 | 0 | 111 | ||||
| 46 | V | 39.4 | Very low | 43.1 | Very low | 134 Ų | 134 | 145.3 Ų | 145.3 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | 100 | 121.8 | 175.4 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 47 | T | 43.4 | Very low | 43.3 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | cis | -139.9 | 147.8 | 11.6 | 25.2 | 0 | 0 | 0 | 0 | 108.2 | F49 | T47-F49 PolarHBondContact O-N 2.92Š| ||
| 48 | S | 49.8 | Very low | 44 | Very low | 97 Ų | 97 | 144.9 Ų | 144.9 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | -26.6 | 104.8 | 155.3 | 149 | 0 | 0 | 0 | 0 | 111.7 | H50 | S48-H50 VanDerWaalsContact C-N 3.3Å; S48-H50 PolarHBondContact O-N 2.75Å | ||
| 49 | F | 37.2 | Very low | 45 | Very low | 199 Ų | 199 | 144.6 Ų | 144.6 | 87% | 0.873 | 76% | 0.759 | S | S | * | * | trans | -60 | 106.5 | 156.7 | -77.3 | -82 | 0 | 0 | 0 | 104.7 | T47 Q51 | T47-F49 PolarHBondContact O-N 2.92Å; F49-Q51 VanDerWaalsContact C-N 3.33Å; F49-Q51 PolarHBondContact O-N 2.82Å | ||
| 50 | H | 44.6 | Very low | 45.8 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 65% | 0.653 | 76% | 0.758 | S | S | * | * | trans | -46.6 | 109.9 | 163.9 | -91.4 | -59.7 | 0 | 0 | 0 | 105.9 | S48 Y52 | S48-H50 VanDerWaalsContact C-N 3.3Å; S48-H50 PolarHBondContact O-N 2.75Å; H50-Y52 VanDerWaalsContact O-CD2 3.3Å; H50-Y52 WeakPolarHBondContact O-CD2 3.3Å; H50-Y52 PolarHBondContact O-N 2.73Å | ||
| 51 | Q | 45.4 | Very low | 46.8 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | -57.9 | 95.5 | 159.5 | -75.4 | 179.5 | -27.2 | 0 | 0 | 103.9 | F49 R53 | F49-Q51 VanDerWaalsContact C-N 3.33Å; F49-Q51 PolarHBondContact O-N 2.82Å; Q51-R53 PolarHBondContact O-N 3.47Å | ||
| 52 | Y | 44.8 | Very low | 47.8 | Very low | 195 Ų | 195 | 143.6 Ų | 143.6 | 77% | 0.765 | 74% | 0.743 | S | S | * | * | trans | -59 | 94.7 | 159.8 | -58.6 | -79 | 0 | 0 | 0 | 103.6 | H50 L54 | H50-Y52 VanDerWaalsContact O-CD2 3.3Å; H50-Y52 WeakPolarHBondContact O-CD2 3.3Å; H50-Y52 PolarHBondContact O-N 2.73Å; Y52-L54 PolarHBondContact O-N 2.77Å | ||
| 53 | R | 40.6 | Very low | 50.3 | Low | 209 Ų | 209 | 140.5 Ų | 140.5 | 79% | 0.789 | 73% | 0.729 | S | S | * | * | trans | -56.5 | 98 | 167.6 | -164 | -179.2 | -151.3 | -145.7 | 6.2 | 103.4 | Q51 L55 | Q51-R53 PolarHBondContact O-N 3.47Å; R53-L55 HydrophobicContact CG-CD2 4.21Å; R53-L55 PolarHBondContact O-N 2.74Å | ||
| 54 | L | 45.6 | Very low | 52.4 | Low | 135 Ų | 135 | 140.6 Ų | 140.6 | 71% | 0.707 | 72% | 0.723 | S | S | * | * | trans | -60.7 | 93.2 | 170 | -72.6 | 168.2 | 0 | 0 | 0 | 104.7 | Y52 H56 | Y52-L54 PolarHBondContact O-N 2.77Å; L54-H56 PolarHBondContact O-N 2.93Å | ||
| 55 | L | 42.2 | Very low | 54.6 | Low | 131 Ų | 131 | 141.6 Ų | 141.6 | 69% | 0.686 | 72% | 0.718 | S | S | * | * | trans | -69.6 | 72 | 165.3 | -64.1 | 177.4 | 0 | 0 | 0 | 105.8 | R53 T57 | R53-L55 HydrophobicContact CG-CD2 4.21Å; R53-L55 PolarHBondContact O-N 2.74Å; L55-T57 PolarHBondContact O-N 2.79Å | ||
| 56 | H | 41.2 | Very low | 56.6 | Low | 137 Ų | 137 | 137.5 Ų | 137.5 | 63% | 0.634 | 69% | 0.694 | S | S | * | * | trans | -62.7 | 95.9 | 159.3 | -82.9 | -67.5 | 0 | 0 | 0 | 106 | L54 T58 | L54-H56 PolarHBondContact O-N 2.93Å; H56-T58 HydrophobicContact CB-CG2 4.12Å; H56-T58 PolarHBondContact O-N 3.3Å | ||
| 57 | T | 46.6 | Very low | 59.3 | Low | 134 Ų | 134 | 135.1 Ų | 135.1 | 82% | 0.822 | 67% | 0.673 | S | S | * | * | trans | -70.6 | 58.9 | 159.7 | 56.3 | 0 | 0 | 0 | 0 | 108.2 | L55 L59 | L55-T57 PolarHBondContact O-N 2.79Å; T57-L59 PolarHBondContact O-N 2.84Å; T57-L59 VanDerWaalsContact O-N 3.12Å | ||
| 58 | T | 48.6 | Very low | 61.7 | Low | 99 Ų | 99 | 135.7 Ų | 135.7 | 61% | 0.607 | 67% | 0.666 | S | S | * | * | trans | -70.6 | 108.6 | 167.7 | 46.5 | 0 | 0 | 0 | 0 | 106.2 | H56 S60 | H56-T58 HydrophobicContact CB-CG2 4.12Å; H56-T58 PolarHBondContact O-N 3.3Å; T58-S60 PolarHBondContact O-N 3.12Å | ||
| 59 | L | 60.9 | Low | 63.8 | Low | 163 Ų | 163 | 132.3 Ų | 132.3 | 85% | 0.853 | 64% | 0.641 | S | S | * | * | trans | -37.9 | 130.4 | 164 | -71.8 | 162.2 | 0 | 0 | 0 | 108.9 | T57 R61 | T57-L59 PolarHBondContact O-N 2.84Å; T57-L59 VanDerWaalsContact O-N 3.12Å; L59-R61 PolarHBondContact O-N 2.98Å | ||
| 60 | S | 58 | Low | 66.5 | Low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 62% | 0.623 | S | S | * | * | trans | -47.6 | 114 | 179.2 | 180 | 0 | 0 | 0 | 0 | 109.7 | T58 K62 | T58-S60 PolarHBondContact O-N 3.12Å; S60-K62 PolarHBondContact O-N 3.4Å; S60-K62 VanDerWaalsContact O-N 3.09Å | ||
| 61 | R | 64.8 | Low | 68.8 | Low | 217 Ų | 217 | 124.9 Ų | 124.9 | 82% | 0.819 | 62% | 0.619 | S | S | * | * | trans | -75.4 | 96.2 | 173.1 | -70.4 | -179.3 | 170.9 | 176 | -2.6 | 106 | L59 G63 | L59-R61 PolarHBondContact O-N 2.98Å; R61-G63 PolarHBondContact O-N 3.09Å | ||
| 62 | K | 70.1 | Confident | 71.1 | Confident | 117 Ų | 117 | 124.6 Ų | 124.6 | 51% | 0.509 | 62% | 0.615 | S | S | . | * | trans | -65.1 | -6.5 | 176.2 | -58.1 | -173.9 | 175.2 | -177.3 | 0 | 112 | S60 L64 E65 E66 | S60-K62 PolarHBondContact O-N 3.4Å; S60-K62 VanDerWaalsContact O-N 3.09Å; K62-L64 PolarHBondContact O-N 2.72Å; K62-E65 HydrophobicContact CB-CB 3.95Å; K62-E65 WeakPolarHBondContact O-CB 3.39Å; K62-E65 WeakPolarHBondContact O-CG 3.4Å; K62-E65 PolarHBondContact O-N 3.23Å; K62-E65 VanDerWaalsContact O-N 3.17Å; K62-E66 HydrophobicContact CB-CG 3.91Å; K62-E66 PolarHBondContact N-OE1 3.04Å | ||
| 63 | G | 88.2 | Confident | 73.3 | Confident | 44 Ų | 44 | 117.7 Ų | 117.7 | 45% | 0.454 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | 70.1 | -117.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | R61 E65 | R61-G63 PolarHBondContact O-N 3.09Å; G63-E65 VanDerWaalsContact C-N 3.28Å; G63-E65 PolarHBondContact O-N 3.17Å |
| 64 | L | 92.5 | Very high | 75.7 | Confident | 135 Ų | 135 | 115.4 Ų | 115.4 | 71% | 0.707 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -75.6 | -16.7 | 179 | -67.9 | 177.3 | 0 | 0 | 0 | 113.5 | K62 E66 F67 | K62-L64 PolarHBondContact O-N 2.72Å; L64-E66 PolarHBondContact O-N 3.16Å; L64-F67 HydrophobicContact CD2-CD2 4.17Å; L64-F67 HydrophobicContact CD2-CE2 4.12Å; L64-F67 PolarHBondContact O-N 3.21Å |
| 65 | E | 91.9 | Very high | 77.8 | Confident | 131 Ų | 131 | 113.2 Ų | 113.2 | 61% | 0.612 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -66.1 | -23.2 | 179.1 | -59.2 | 176.5 | -179.9 | 0 | 0 | 112 | K62 G63 F67 F68 | K62-E65 HydrophobicContact CB-CB 3.95Å; K62-E65 WeakPolarHBondContact O-CB 3.39Å; K62-E65 WeakPolarHBondContact O-CG 3.4Å; K62-E65 PolarHBondContact O-N 3.23Å; K62-E65 VanDerWaalsContact O-N 3.17Å; G63-E65 VanDerWaalsContact C-N 3.28Å; G63-E65 PolarHBondContact O-N 3.17Å; E65-F67 PolarHBondContact O-N 3.5Å; E65-F68 PolarHBondContact O-N 3.26Å; E65-F68 VanDerWaalsContact O-N 3.16Å |
| 66 | E | 92.6 | Very high | 80.1 | Confident | 65 Ų | 65 | 112.1 Ų | 112.1 | 30% | 0.304 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -69.8 | -11.2 | 178.5 | -56.7 | -173.5 | -154.8 | 0 | 0 | 113.3 | K62 L64 F68 K107 | K62-E66 HydrophobicContact CB-CG 3.91Å; K62-E66 PolarHBondContact N-OE1 3.04Å; L64-E66 PolarHBondContact O-N 3.16Å; E66-F68 VanDerWaalsContact C-N 3.3Å; E66-K107 WeakPolarHBondContact OE2-CD 3.49Å; E66-K107 WeakPolarHBondContact OE2-CE 3.18Å; E66-K107 IonicContact OE2-NZ 2.72Å; E66-K107 PolarHBondContact OE2-NZ 2.84Å |
| 67 | F | 95.4 | Very high | 82.4 | Confident | 85 Ų | 85 | 112.6 Ų | 112.6 | 37% | 0.373 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -84.8 | -3.7 | 174.1 | -72.4 | -82.7 | 0 | 0 | 0 | 113.5 | L64 E65 N110 T114 | L64-F67 HydrophobicContact CD2-CD2 4.17Å; L64-F67 HydrophobicContact CD2-CE2 4.12Å; L64-F67 PolarHBondContact O-N 3.21Å; E65-F67 PolarHBondContact O-N 3.5Å; F67-N110 HydrophobicContact CD1-CB 4.46Å; F67-N110 HydrophobicContact CE1-CB 4.34Å; F67-T114 HydrophobicContact CD1-CG2 4.24Å; F67-T114 PolarHBondContact O-OG1 3.03Å |
| 68 | F | 94.7 | Very high | 84.5 | Confident | 125 Ų | 125 | 114.3 Ų | 114.3 | 55% | 0.548 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -122.9 | 148.3 | 179.3 | -55.8 | -76.9 | 0 | 0 | 0 | 109.6 | E65 E66 W74 M111 | E65-F68 PolarHBondContact O-N 3.26Å; E65-F68 VanDerWaalsContact O-N 3.16Å; E66-F68 VanDerWaalsContact C-N 3.3Å; F68-W74 HydrophobicContact CB-CZ2 4.44Å; F68-M111 VanDerWaalsContact C-CG 3.41Å |
| 69 | D | 93.9 | Very high | 86.7 | Confident | 26 Ų | 26 | 110.6 Ų | 110.6 | 14% | 0.139 | 56% | 0.56 | C | S | . | * | trans | -65.1 | 165.8 | 171.8 | -154.4 | -28.2 | 0 | 0 | 0 | 109.5 | N73 W74 M111 R131 | D69-N73 PolarHBondContact OD1-ND2 2.97Å; D69-W74 PolarHBondContact O-NE1 3.16Å; D69-M111 HydrophobicContact CB-CE 4.3Å; D69-M111 HydrophobicContact CB-SD 3.79Å; D69-R131 IonicContact OD2-CZ 3.91Å; D69-R131 IonicContact OD2-NH1 3.69Å; D69-R131 PolarHBondContact OD2-NH1 2.81Å; D69-R131 IonicContact OD2-NH2 3.6Å; D69-R131 PolarHBondContact OD2-NH2 2.91Å | ||
| 70 | D | 93.4 | Very high | 88.2 | Confident | 94 Ų | 94 | 112.8 Ų | 112.8 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | trans | -50 | 133.5 | 176.4 | -82.9 | -25.9 | 0 | 0 | 0 | 110.2 | K72 N73 | D70-K72 PolarHBondContact O-N 3.33Å; D70-N73 WeakPolarHBondContact O-CB 3.46Å; D70-N73 PolarHBondContact O-N 3.06Å | ||
| 71 | P | 93.4 | Very high | 89.8 | Confident | 89 Ų | 89 | 110 Ų | 110 | 58% | 0.578 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -55.4 | -21.3 | -177.2 | -29.4 | 35.4 | 0 | 0 | 0 | 115 | N73 W74 | P71-N73 VanDerWaalsContact C-N 3.3Å; P71-N73 PolarHBondContact O-N 3.4Å; P71-W74 HydrophobicContact CB-CD2 4.33Å; P71-W74 HydrophobicContact CB-CE3 4.34Å; P71-W74 HydrophobicContact CB-CH2 4.12Å; P71-W74 HydrophobicContact CB-CZ2 4.08Å; P71-W74 HydrophobicContact CB-CZ3 4.24Å; P71-W74 HydrophobicContact CG-CH2 4.19Å; P71-W74 HydrophobicContact CG-CZ2 3.98Å |
| 72 | K | 93.6 | Very high | 91.2 | Very high | 181 Ų | 181 | 102.5 Ų | 102.5 | 79% | 0.787 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -70.7 | -23.7 | 176 | -59.9 | 178.7 | -177.6 | 178.3 | 0 | 113.3 | D70 | D70-K72 PolarHBondContact O-N 3.33Š|
| 73 | N | 92 | Very high | 92.4 | Very high | 51 Ų | 51 | 101.6 Ų | 101.6 | 27% | 0.273 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -91.4 | -5.4 | -176.9 | -63.9 | -19.5 | 0 | 0 | 0 | 112.4 | D69 D70 P71 G75 Q76 V79 | D69-N73 PolarHBondContact OD1-ND2 2.97Å; D70-N73 WeakPolarHBondContact O-CB 3.46Å; D70-N73 PolarHBondContact O-N 3.06Å; P71-N73 VanDerWaalsContact C-N 3.3Å; P71-N73 PolarHBondContact O-N 3.4Å; N73-G75 PolarHBondContact O-N 3.38Å; N73-Q76 WeakPolarHBondContact O-CB 3.41Å; N73-Q76 PolarHBondContact O-N 3.45Å; N73-V79 HydrophobicContact CB-CG2 4.46Å |
| 74 | W | 91.1 | Very high | 92.8 | Very high | 161 Ų | 161 | 100.9 Ų | 100.9 | 61% | 0.61 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 131.1 | -179.7 | -62.2 | -6.8 | 0 | 0 | 0 | 111.1 | F68 D69 P71 Q76 | F68-W74 HydrophobicContact CB-CZ2 4.44Å; D69-W74 PolarHBondContact O-NE1 3.16Å; P71-W74 HydrophobicContact CB-CD2 4.33Å; P71-W74 HydrophobicContact CB-CE3 4.34Å; P71-W74 HydrophobicContact CB-CH2 4.12Å; P71-W74 HydrophobicContact CB-CZ2 4.08Å; P71-W74 HydrophobicContact CB-CZ3 4.24Å; P71-W74 HydrophobicContact CG-CH2 4.19Å; P71-W74 HydrophobicContact CG-CZ2 3.98Å; W74-Q76 VanDerWaalsContact C-N 3.25Å; W74-Q76 PolarHBondContact O-N 3.48Å |
| 75 | G | 87.8 | Confident | 93 | Very high | 89 Ų | 89 | 98.9 Ų | 98.9 | 92% | 0.918 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | -2.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N73 | N73-G75 PolarHBondContact O-N 3.38Š|
| 76 | Q | 91.4 | Very high | 93.3 | Very high | 108 Ų | 108 | 96 Ų | 96 | 51% | 0.505 | 51% | 0.513 | S | S | . | . | trans | -77 | 133.4 | 173.3 | -61.8 | -68.5 | -14.8 | 0 | 0 | 110.4 | N73 W74 P127 | N73-Q76 WeakPolarHBondContact O-CB 3.41Å; N73-Q76 PolarHBondContact O-N 3.45Å; W74-Q76 VanDerWaalsContact C-N 3.25Å; W74-Q76 PolarHBondContact O-N 3.48Å; Q76-P127 WeakPolarHBondContact O-CB 3.31Å | ||
| 77 | E | 89 | Confident | 93.5 | Very high | 147 Ų | 147 | 94.5 Ų | 94.5 | 69% | 0.687 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -75.3 | -33 | 178.3 | -170.5 | -177.6 | -174 | 0 | 0 | 112.2 | ||
| 78 | K | 91.7 | Very high | 93.6 | Very high | 169 Ų | 169 | 95.8 Ų | 95.8 | 74% | 0.735 | 52% | 0.516 | S | S | * | . | trans | -125 | 117.3 | -175.2 | -63.9 | -180 | -175.9 | 175.7 | 0 | 110.7 | ||||
| 79 | V | 93.5 | Very high | 93.7 | Very high | 21 Ų | 21 | 94.4 Ų | 94.4 | 13% | 0.127 | 51% | 0.512 | C | S | . | . | trans | -109.5 | 120.1 | 174.2 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | N73 S81 S128 R131 | N73-V79 HydrophobicContact CB-CG2 4.46Å; V79-S81 PolarHBondContact O-N 3.22Å; V79-S128 PolarHBondContact N-OG 3.31Å; V79-R131 VanDerWaalsContact CG1-NH1 3.28Å | ||
| 80 | K | 92.3 | Very high | 93.9 | Very high | 209 Ų | 209 | 93.2 Ų | 93.2 | 91% | 0.909 | 51% | 0.505 | S | S | * | . | trans | -65.1 | 126.5 | 179.7 | -65.1 | -179.7 | -177.9 | 177.4 | 0 | 109.5 | ||||
| 81 | S | 92.8 | Very high | 94.1 | Very high | 45 Ų | 45 | 93.4 Ų | 93.4 | 32% | 0.315 | 50% | 0.499 | S | S | . | . | trans | -130.8 | 148.6 | 179.6 | 57.2 | 0 | 0 | 0 | 0 | 111.6 | V79 R131 K134 | V79-S81 PolarHBondContact O-N 3.22Å; S81-R131 WeakPolarHBondContact OG-CG 3.45Å; S81-K134 PolarHBondContact OG-NZ 3.31Å | ||
| 82 | G | 94.1 | Very high | 94.2 | Very high | 61 Ų | 61 | 95.2 Ų | 95.2 | 63% | 0.629 | 50% | 0.504 | S | S | * | . | trans | -67.9 | -173.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K134 | G82-K134 WeakPolarHBondContact O-CD 3.39Å; G82-K134 PolarHBondContact O-NZ 3.44Å | ||
| 83 | A | 94.9 | Very high | 94.4 | Very high | 97 Ų | 97 | 91.2 Ų | 91.2 | 80% | 0.802 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -80.9 | 159.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 84 | A | 96.8 | Very high | 94.7 | Very high | 30 Ų | 30 | 91.4 Ų | 91.4 | 25% | 0.248 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -69 | 152.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T86 K134 D137 S138 | A84-T86 PolarHBondContact O-N 2.81Å; A84-K134 HydrophobicContact CB-CB 4.03Å; A84-K134 HydrophobicContact CB-CG 4.34Å; A84-K134 WeakPolarHBondContact CB-O 3.27Å; A84-D137 HydrophobicContact CB-CB 4.44Å; A84-S138 WeakPolarHBondContact CA-OG 3.32Å |
| 85 | W | 97.7 | Very high | 94.9 | Very high | 93 Ų | 93 | 88.7 Ų | 88.7 | 35% | 0.352 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 126.3 | 173.9 | -73.9 | 89.9 | 0 | 0 | 0 | 110.7 | Q89 L90 L101 S138 | W85-Q89 HydrophobicContact CE3-CB 4.29Å; W85-L90 HydrophobicContact CB-CD1 4.12Å; W85-L90 HydrophobicContact CB-CD2 4.13Å; W85-L90 HydrophobicContact CB-CG 4.22Å; W85-L90 HydrophobicContact CD2-CD2 4.07Å; W85-L90 HydrophobicContact CE3-CD2 3.72Å; W85-L90 HydrophobicContact CE3-CG 4.45Å; W85-L90 HydrophobicContact CG-CD2 4.27Å; W85-L90 HydrophobicContact CZ3-CD2 4.46Å; W85-L101 HydrophobicContact CD2-CD2 4.13Å; W85-L101 HydrophobicContact CE3-CD2 4.48Å; W85-L101 HydrophobicContact CZ2-CD1 4.17Å; W85-L101 HydrophobicContact CZ2-CD2 4.26Å; W85-S138 PolarHBondContact N-OG 3.27Å |
| 86 | T | 97.5 | Very high | 95.4 | Very high | 69 Ų | 69 | 91.1 Ų | 91.1 | 42% | 0.423 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -86.7 | 147.9 | 176 | 61.6 | 0 | 0 | 0 | 0 | 111.1 | A84 Q88 Q89 L90 | A84-T86 PolarHBondContact O-N 2.81Å; T86-Q88 PolarHBondContact O-N 3.09Å; T86-Q88 VanDerWaalsContact O-N 3.14Å; T86-Q89 VanDerWaalsContact N-OE1 3.14Å; T86-Q89 PolarHBondContact O-N 3.41Å; T86-Q89 VanDerWaalsContact O-N 3.1Å; T86-Q89 WeakPolarHBondContact OG1-CG 3.22Å; T86-Q89 PolarHBondContact OG1-OE1 3.45Å; T86-L90 WeakPolarHBondContact O-CG 3.31Å; T86-L90 PolarHBondContact O-N 3.27Å |
| 87 | C | 97.3 | Very high | 95.6 | Very high | 35 Ų | 35 | 89.7 Ų | 89.7 | 24% | 0.236 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -55.6 | -36.6 | 179.1 | -53.5 | 0 | 0 | 0 | 0 | 112.1 | L90 R91 V145 | C87-L90 PolarHBondContact O-N 3.33Å; C87-R91 WeakPolarHBondContact O-CG 3.4Å; C87-R91 PolarHBondContact O-N 3.09Å; C87-V145 HydrophobicContact CB-CG2 4.04Å |
| 88 | Q | 97.4 | Very high | 96 | Very high | 112 Ų | 112 | 82.8 Ų | 82.8 | 52% | 0.523 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.6 | -39.1 | -179.5 | -167.3 | 63.2 | 10 | 0 | 0 | 112.8 | T86 L90 R91 | T86-Q88 PolarHBondContact O-N 3.09Å; T86-Q88 VanDerWaalsContact O-N 3.14Å; Q88-L90 VanDerWaalsContact C-N 3.3Å; Q88-L90 PolarHBondContact O-N 3.12Å; Q88-R91 PolarHBondContact O-N 3.26Å |
| 89 | Q | 96.5 | Very high | 96.3 | Very high | 96 Ų | 96 | 80.3 Ų | 80.3 | 45% | 0.449 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 174.3 | -72.3 | 163.1 | -21.5 | 0 | 0 | 111.4 | W85 T86 N92 | W85-Q89 HydrophobicContact CE3-CB 4.29Å; T86-Q89 VanDerWaalsContact N-OE1 3.14Å; T86-Q89 PolarHBondContact O-N 3.41Å; T86-Q89 VanDerWaalsContact O-N 3.1Å; T86-Q89 WeakPolarHBondContact OG1-CG 3.22Å; T86-Q89 PolarHBondContact OG1-OE1 3.45Å; Q89-N92 PolarHBondContact O-N 3.5Å |
| 90 | L | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -71.5 | -31.7 | -179.9 | -62.5 | 175.2 | 0 | 0 | 0 | 112.6 | W85 T86 C87 Q88 N92 K93 L98 L101 A141 L142 V145 R149 | W85-L90 HydrophobicContact CB-CD1 4.12Å; W85-L90 HydrophobicContact CB-CD2 4.13Å; W85-L90 HydrophobicContact CB-CG 4.22Å; W85-L90 HydrophobicContact CD2-CD2 4.07Å; W85-L90 HydrophobicContact CE3-CD2 3.72Å; W85-L90 HydrophobicContact CE3-CG 4.45Å; W85-L90 HydrophobicContact CG-CD2 4.27Å; W85-L90 HydrophobicContact CZ3-CD2 4.46Å; T86-L90 WeakPolarHBondContact O-CG 3.31Å; T86-L90 PolarHBondContact O-N 3.27Å; C87-L90 PolarHBondContact O-N 3.33Å; Q88-L90 VanDerWaalsContact C-N 3.3Å; Q88-L90 PolarHBondContact O-N 3.12Å; L90-N92 PolarHBondContact O-N 3.1Å; L90-K93 PolarHBondContact O-N 3.02Å; L90-K93 VanDerWaalsContact O-N 3.09Å; L90-L98 HydrophobicContact CB-CD2 4.11Å; L90-L98 HydrophobicContact CD2-CD2 3.8Å; L90-L101 HydrophobicContact CD2-CD2 3.64Å; L90-A141 HydrophobicContact CD1-CB 3.96Å; L90-L142 HydrophobicContact CD1-CB 3.98Å; L90-V145 HydrophobicContact CB-CG2 4.2Å; L90-R149 PolarHBondContact O-NH2 3.09Å |
| 91 | R | 97.2 | Very high | 96.7 | Very high | 98 Ų | 98 | 76.7 Ų | 76.7 | 37% | 0.37 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.5 | -30.4 | 174.9 | -76.3 | -177.9 | -169.8 | 118.1 | 3.3 | 113.3 | C87 Q88 K93 V145 E148 R149 | C87-R91 WeakPolarHBondContact O-CG 3.4Å; C87-R91 PolarHBondContact O-N 3.09Å; Q88-R91 PolarHBondContact O-N 3.26Å; R91-K93 VanDerWaalsContact C-N 3.26Å; R91-K93 PolarHBondContact O-N 3.07Å; R91-V145 HydrophobicContact CG-CG1 4.07Å; R91-V145 HydrophobicContact CG-CG2 4.07Å; R91-E148 IonicContact CZ-OE2 3.43Å; R91-E148 IonicContact NE-OE2 2.83Å; R91-E148 PolarHBondContact NE-OE2 3.07Å; R91-E148 IonicContact NH2-OE1 2.9Å; R91-E148 PolarHBondContact NH2-OE1 2.92Å; R91-E148 IonicContact NH2-OE2 3.57Å; R91-E148 PolarHBondContact NH2-OE2 3.5Å; R91-R149 PolarHBondContact O-NH2 3.44Å |
| 92 | N | 96.9 | Very high | 96.9 | Very high | 127 Ų | 127 | 78.2 Ų | 78.2 | 68% | 0.679 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -5.8 | 179.2 | -62.9 | -17.3 | 0 | 0 | 0 | 113.5 | Q89 L90 | Q89-N92 PolarHBondContact O-N 3.5Å; L90-N92 PolarHBondContact O-N 3.1Å |
| 93 | K | 97.1 | Very high | 97 | Very high | 98 Ų | 98 | 81.3 Ų | 81.3 | 43% | 0.426 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -97.6 | 151.3 | -177.6 | -58.3 | -54.9 | -175.9 | 178.9 | 0 | 112.5 | L90 R91 L98 R149 | L90-K93 PolarHBondContact O-N 3.02Å; L90-K93 VanDerWaalsContact O-N 3.09Å; R91-K93 VanDerWaalsContact C-N 3.26Å; R91-K93 PolarHBondContact O-N 3.07Å; K93-L98 HydrophobicContact CB-CD2 3.96Å; K93-L98 HydrophobicContact CB-CG 4.24Å; K93-R149 PolarHBondContact O-NH1 2.84Å; K93-R149 VanDerWaalsContact O-NH1 3.08Å; K93-R149 PolarHBondContact O-NH2 3.45Å |
| 94 | S | 97.4 | Very high | 97.1 | Very high | 54 Ų | 54 | 81 Ų | 81 | 38% | 0.378 | 40% | 0.395 | S | S | . | . | trans | -68.2 | 157.7 | 175 | 74.6 | 0 | 0 | 0 | 0 | 111.6 | E96 D97 L98 | S94-E96 VanDerWaalsContact C-N 3.26Å; S94-E96 PolarHBondContact O-N 2.76Å; S94-D97 PolarHBondContact O-N 2.89Å; S94-D97 WeakPolarHBondContact OG-CB 3.48Å; S94-D97 PolarHBondContact OG-N 2.96Å; S94-D97 VanDerWaalsContact OG-N 3.16Å; S94-D97 PolarHBondContact OG-OD2 3.23Å; S94-L98 WeakPolarHBondContact O-CG 3.47Å; S94-L98 PolarHBondContact O-N 3.08Å | ||
| 95 | N | 96.7 | Very high | 97.1 | Very high | 104 Ų | 104 | 80.3 Ų | 80.3 | 56% | 0.556 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.9 | -33.6 | 176.7 | -72.7 | -21.7 | 0 | 0 | 0 | 112.2 | L98 H99 R149 | N95-L98 PolarHBondContact O-N 3.46Å; N95-H99 WeakPolarHBondContact O-CB 3.3Å; N95-H99 PolarHBondContact O-N 3.22Å; N95-R149 PolarHBondContact OD1-NH1 3Å |
| 96 | E | 96.9 | Very high | 97.1 | Very high | 141 Ų | 141 | 78.3 Ų | 78.3 | 66% | 0.659 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -65.6 | -41.8 | 177.4 | -63.7 | -176.1 | -172.4 | 0 | 0 | 111.9 | S94 H99 K100 | S94-E96 VanDerWaalsContact C-N 3.26Å; S94-E96 PolarHBondContact O-N 2.76Å; E96-H99 PolarHBondContact O-N 2.71Å; E96-K100 WeakPolarHBondContact O-CG 3.49Å; E96-K100 PolarHBondContact O-N 2.82Å |
| 97 | D | 97 | Very high | 97 | Very high | 77 Ų | 77 | 79.8 Ų | 79.8 | 41% | 0.412 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69.6 | -38.7 | 177.4 | -64.3 | -32.4 | 0 | 0 | 0 | 111.5 | S94 H99 K100 L101 | S94-D97 PolarHBondContact O-N 2.89Å; S94-D97 WeakPolarHBondContact OG-CB 3.48Å; S94-D97 PolarHBondContact OG-N 2.96Å; S94-D97 VanDerWaalsContact OG-N 3.16Å; S94-D97 PolarHBondContact OG-OD2 3.23Å; D97-H99 VanDerWaalsContact C-N 3.32Å; D97-H99 PolarHBondContact O-N 3.5Å; D97-K100 PolarHBondContact O-N 2.96Å; D97-L101 VanDerWaalsContact O-CB 3.26Å; D97-L101 WeakPolarHBondContact O-CB 3.45Å; D97-L101 PolarHBondContact O-N 2.7Å |
| 98 | L | 97.2 | Very high | 97 | Very high | 2 Ų | 2 | 81.1 Ų | 81.1 | 1% | 0.01 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 173.9 | -68 | -177.1 | 0 | 0 | 0 | 111.4 | L90 K93 S94 N95 L101 W102 L142 V145 V146 | L90-L98 HydrophobicContact CB-CD2 4.11Å; L90-L98 HydrophobicContact CD2-CD2 3.8Å; K93-L98 HydrophobicContact CB-CD2 3.96Å; K93-L98 HydrophobicContact CB-CG 4.24Å; S94-L98 WeakPolarHBondContact O-CG 3.47Å; S94-L98 PolarHBondContact O-N 3.08Å; N95-L98 PolarHBondContact O-N 3.46Å; L98-L101 PolarHBondContact O-N 3.49Å; L98-W102 WeakPolarHBondContact O-CB 3.26Å; L98-W102 PolarHBondContact O-N 2.87Å; L98-L142 HydrophobicContact CB-CD2 4.31Å; L98-L142 HydrophobicContact CB-CG 4.49Å; L98-L142 HydrophobicContact CD2-CD1 4.43Å; L98-L142 HydrophobicContact CD2-CG 4.24Å; L98-V145 HydrophobicContact CD1-CG1 4.32Å; L98-V146 HydrophobicContact CD1-CG2 4.15Å |
| 99 | H | 97.2 | Very high | 97 | Very high | 117 Ų | 117 | 79.9 Ų | 79.9 | 54% | 0.542 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.2 | -178.3 | -100 | 0 | 0 | 0 | 111.8 | N95 E96 D97 W102 Y103 | N95-H99 WeakPolarHBondContact O-CB 3.3Å; N95-H99 PolarHBondContact O-N 3.22Å; E96-H99 PolarHBondContact O-N 2.71Å; D97-H99 VanDerWaalsContact C-N 3.32Å; D97-H99 PolarHBondContact O-N 3.5Å; H99-W102 PolarHBondContact O-N 2.8Å; H99-Y103 AromaticContact CE1-CE2 3.59Å; H99-Y103 AromaticContact NE2-CE2 3.54Å; H99-Y103 VanDerWaalsContact O-CD2 3.31Å; H99-Y103 WeakPolarHBondContact O-CD2 3.36Å |
| 100 | K | 96.8 | Very high | 97 | Very high | 126 Ų | 126 | 78.1 Ų | 78.1 | 55% | 0.548 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 174.2 | -69.4 | 169.6 | -171.9 | 164.4 | 0 | 111.6 | E96 D97 W102 Y103 V104 | E96-K100 WeakPolarHBondContact O-CG 3.49Å; E96-K100 PolarHBondContact O-N 2.82Å; D97-K100 PolarHBondContact O-N 2.96Å; K100-W102 VanDerWaalsContact C-N 3.33Å; K100-W102 PolarHBondContact O-N 3.06Å; K100-Y103 PolarHBondContact O-N 2.84Å; K100-V104 PolarHBondContact O-N 3.32Å |
| 101 | L | 97.1 | Very high | 97 | Very high | 29 Ų | 29 | 78.4 Ų | 78.4 | 15% | 0.152 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62 | -39.8 | -180 | 179.3 | 61.1 | 0 | 0 | 0 | 112 | W85 L90 D97 L98 Y103 V104 L105 L142 | W85-L101 HydrophobicContact CD2-CD2 4.13Å; W85-L101 HydrophobicContact CE3-CD2 4.48Å; W85-L101 HydrophobicContact CZ2-CD1 4.17Å; W85-L101 HydrophobicContact CZ2-CD2 4.26Å; L90-L101 HydrophobicContact CD2-CD2 3.64Å; D97-L101 VanDerWaalsContact O-CB 3.26Å; D97-L101 WeakPolarHBondContact O-CB 3.45Å; D97-L101 PolarHBondContact O-N 2.7Å; L98-L101 PolarHBondContact O-N 3.49Å; L101-Y103 VanDerWaalsContact C-N 3.29Å; L101-Y103 PolarHBondContact O-N 3.38Å; L101-V104 WeakPolarHBondContact O-CB 3.47Å; L101-V104 PolarHBondContact O-N 2.93Å; L101-V104 VanDerWaalsContact O-N 3.09Å; L101-L105 HydrophobicContact CD1-CD1 4.43Å; L101-L105 HydrophobicContact CD1-CG 4.22Å; L101-L105 HydrophobicContact CG-CD1 4.14Å; L101-L105 HydrophobicContact CG-CG 4.38Å; L101-L105 WeakPolarHBondContact O-CG 3.33Å; L101-L105 PolarHBondContact O-N 3.2Å; L101-L142 HydrophobicContact CB-CD1 4.32Å; L101-L142 HydrophobicContact CD2-CD1 4.17Å; L101-L142 HydrophobicContact CG-CD1 4.16Å |
| 102 | W | 97.6 | Very high | 96.9 | Very high | 77 Ų | 77 | 73.8 Ų | 73.8 | 29% | 0.292 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -54.2 | -45.5 | 176.1 | 178.1 | -94.5 | 0 | 0 | 0 | 111.9 | L98 H99 K100 L105 L106 M139 L142 D143 | L98-W102 WeakPolarHBondContact O-CB 3.26Å; L98-W102 PolarHBondContact O-N 2.87Å; H99-W102 PolarHBondContact O-N 2.8Å; K100-W102 VanDerWaalsContact C-N 3.33Å; K100-W102 PolarHBondContact O-N 3.06Å; W102-L105 PolarHBondContact O-N 3.14Å; W102-L106 VanDerWaalsContact O-CB 3.25Å; W102-L106 WeakPolarHBondContact O-CB 3.48Å; W102-L106 PolarHBondContact O-N 3.43Å; W102-M139 HydrophobicContact CD2-CE 3.97Å; W102-M139 HydrophobicContact CE3-CE 4Å; W102-M139 HydrophobicContact CH2-CB 4.48Å; W102-M139 HydrophobicContact CH2-CE 3.52Å; W102-M139 HydrophobicContact CZ2-CE 3.42Å; W102-M139 VanDerWaalsContact CZ2-CE 3.42Å; W102-M139 HydrophobicContact CZ3-CB 4.02Å; W102-M139 HydrophobicContact CZ3-CE 3.8Å; W102-M139 HydrophobicContact CZ3-CG 4.47Å; W102-M139 WeakPolarHBondContact CZ3-O 3.45Å; W102-L142 HydrophobicContact CB-CD1 4.18Å; W102-L142 HydrophobicContact CE3-CB 4.39Å; W102-L142 HydrophobicContact CE3-CD1 4.27Å; W102-L142 HydrophobicContact CE3-CD2 3.87Å; W102-L142 HydrophobicContact CE3-CG 4.39Å; W102-D143 HydrophobicContact CZ3-CB 4.2Å |
| 103 | Y | 96.3 | Very high | 97 | Very high | 126 Ų | 126 | 71 Ų | 71 | 49% | 0.494 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.4 | -32.1 | 177.9 | -76.2 | -74.3 | 0 | 0 | 0 | 113.3 | H99 K100 L101 L106 K107 | H99-Y103 AromaticContact CE1-CE2 3.59Å; H99-Y103 AromaticContact NE2-CE2 3.54Å; H99-Y103 VanDerWaalsContact O-CD2 3.31Å; H99-Y103 WeakPolarHBondContact O-CD2 3.36Å; K100-Y103 PolarHBondContact O-N 2.84Å; L101-Y103 VanDerWaalsContact C-N 3.29Å; L101-Y103 PolarHBondContact O-N 3.38Å; Y103-L106 HydrophobicContact CD1-CD2 4.13Å; Y103-L106 HydrophobicContact CE1-CD2 4.35Å; Y103-L106 PolarHBondContact O-N 2.83Å; Y103-K107 VanDerWaalsContact O-CG 3.3Å; Y103-K107 WeakPolarHBondContact O-CG 3.25Å; Y103-K107 PolarHBondContact O-N 3.39Å; Y103-K107 VanDerWaalsContact O-N 3.07Å |
| 104 | V | 96.4 | Very high | 96.9 | Very high | 90 Ų | 90 | 68.7 Ų | 68.7 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63 | -48.1 | 172.6 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | K100 L101 K107 E108 | K100-V104 PolarHBondContact O-N 3.32Å; L101-V104 WeakPolarHBondContact O-CB 3.47Å; L101-V104 PolarHBondContact O-N 2.93Å; L101-V104 VanDerWaalsContact O-N 3.09Å; V104-K107 PolarHBondContact O-N 3.15Å; V104-E108 PolarHBondContact O-N 3.37Å; V104-E108 VanDerWaalsContact O-N 3.15Å |
| 105 | L | 97 | Very high | 96.9 | Very high | 15 Ų | 15 | 68.6 Ų | 68.6 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65 | -38.9 | 177.4 | -66.9 | 175.2 | 0 | 0 | 0 | 112.4 | L101 W102 K107 E108 R109 V135 M139 L142 | L101-L105 HydrophobicContact CD1-CD1 4.43Å; L101-L105 HydrophobicContact CD1-CG 4.22Å; L101-L105 HydrophobicContact CG-CD1 4.14Å; L101-L105 HydrophobicContact CG-CG 4.38Å; L101-L105 WeakPolarHBondContact O-CG 3.33Å; L101-L105 PolarHBondContact O-N 3.2Å; W102-L105 PolarHBondContact O-N 3.14Å; L105-K107 VanDerWaalsContact C-N 3.33Å; L105-K107 PolarHBondContact O-N 3.02Å; L105-E108 PolarHBondContact O-N 3.37Å; L105-R109 WeakPolarHBondContact O-CB 3.26Å; L105-R109 PolarHBondContact O-N 3.39Å; L105-V135 HydrophobicContact CB-CG1 4.43Å; L105-M139 HydrophobicContact CB-CG 3.89Å; L105-M139 HydrophobicContact CB-SD 4.47Å; L105-M139 HydrophobicContact CD1-CG 4.23Å; L105-L142 HydrophobicContact CD1-CD1 4.43Å |
| 106 | L | 97.8 | Very high | 96.8 | Very high | 51 Ų | 51 | 66.1 Ų | 66.1 | 27% | 0.267 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 178.1 | -176 | 68.8 | 0 | 0 | 0 | 111.8 | W102 Y103 R109 N110 M139 | W102-L106 VanDerWaalsContact O-CB 3.25Å; W102-L106 WeakPolarHBondContact O-CB 3.48Å; W102-L106 PolarHBondContact O-N 3.43Å; Y103-L106 HydrophobicContact CD1-CD2 4.13Å; Y103-L106 HydrophobicContact CE1-CD2 4.35Å; Y103-L106 PolarHBondContact O-N 2.83Å; L106-R109 PolarHBondContact O-N 2.93Å; L106-N110 WeakPolarHBondContact O-CB 3.36Å; L106-N110 VanDerWaalsContact O-CG 3.22Å; L106-N110 PolarHBondContact O-N 3.12Å; L106-N110 PolarHBondContact O-ND2 3.05Å; L106-M139 HydrophobicContact CB-CE 4.39Å; L106-M139 HydrophobicContact CD1-CE 4Å |
| 107 | K | 96 | Very high | 96.9 | Very high | 101 Ų | 101 | 65.2 Ų | 65.2 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67 | -45.2 | 176.2 | -71.2 | -167.8 | -53.9 | 170 | 0 | 111.8 | E66 Y103 V104 L105 R109 N110 M111 | E66-K107 WeakPolarHBondContact OE2-CD 3.49Å; E66-K107 WeakPolarHBondContact OE2-CE 3.18Å; E66-K107 IonicContact OE2-NZ 2.72Å; E66-K107 PolarHBondContact OE2-NZ 2.84Å; Y103-K107 VanDerWaalsContact O-CG 3.3Å; Y103-K107 WeakPolarHBondContact O-CG 3.25Å; Y103-K107 PolarHBondContact O-N 3.39Å; Y103-K107 VanDerWaalsContact O-N 3.07Å; V104-K107 PolarHBondContact O-N 3.15Å; L105-K107 VanDerWaalsContact C-N 3.33Å; L105-K107 PolarHBondContact O-N 3.02Å; K107-R109 VanDerWaalsContact C-N 3.33Å; K107-R109 PolarHBondContact O-N 2.98Å; K107-N110 PolarHBondContact O-N 3.47Å; K107-M111 PolarHBondContact O-N 3.46Å |
| 108 | E | 96.1 | Very high | 96.8 | Very high | 63 Ų | 63 | 65.3 Ų | 65.3 | 29% | 0.294 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.6 | -45.5 | 173.8 | -177.7 | 67.7 | -171.7 | 0 | 0 | 111.1 | V104 L105 N110 M111 L112 R131 V135 | V104-E108 PolarHBondContact O-N 3.37Å; V104-E108 VanDerWaalsContact O-N 3.15Å; L105-E108 PolarHBondContact O-N 3.37Å; E108-N110 VanDerWaalsContact C-N 3.33Å; E108-N110 PolarHBondContact O-N 2.88Å; E108-M111 VanDerWaalsContact CD-CE 3.42Å; E108-M111 PolarHBondContact O-N 3.24Å; E108-M111 VanDerWaalsContact OE1-CE 3.28Å; E108-M111 WeakPolarHBondContact OE1-CE 3.3Å; E108-M111 VanDerWaalsContact OE2-CE 3.3Å; E108-M111 WeakPolarHBondContact OE2-CE 3.28Å; E108-L112 HydrophobicContact CG-CD1 4.06Å; E108-L112 HydrophobicContact CG-CG 4.46Å; E108-L112 VanDerWaalsContact O-CG 3.31Å; E108-L112 WeakPolarHBondContact O-CG 3.5Å; E108-L112 PolarHBondContact O-N 2.94Å; E108-R131 IonicContact OE1-CZ 3.74Å; E108-R131 IonicContact OE1-NE 2.7Å; E108-R131 IonicContact OE1-NH2 3.46Å; E108-R131 PolarHBondContact OE1-NH2 2.72Å; E108-V135 HydrophobicContact CG-CG2 3.78Å |
| 109 | R | 97.6 | Very high | 96.7 | Very high | 85 Ų | 85 | 65.8 Ų | 65.8 | 32% | 0.321 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.5 | -46.1 | 176.2 | -176.9 | 178.1 | -178.9 | 170.8 | 5 | 111.7 | L105 L106 K107 L112 L113 L132 V135 M139 | L105-R109 WeakPolarHBondContact O-CB 3.26Å; L105-R109 PolarHBondContact O-N 3.39Å; L106-R109 PolarHBondContact O-N 2.93Å; K107-R109 VanDerWaalsContact C-N 3.33Å; K107-R109 PolarHBondContact O-N 2.98Å; R109-L112 PolarHBondContact O-N 3.31Å; R109-L113 HydrophobicContact CG-CD1 4.1Å; R109-L113 HydrophobicContact CG-CG 4.47Å; R109-L113 WeakPolarHBondContact O-CB 3.39Å; R109-L113 VanDerWaalsContact O-CG 3.26Å; R109-L113 WeakPolarHBondContact O-CG 3.35Å; R109-L113 PolarHBondContact O-N 3.31Å; R109-L132 HydrophobicContact CG-CD1 4.18Å; R109-V135 HydrophobicContact CB-CG1 3.86Å; R109-M139 HydrophobicContact CB-SD 4.32Å; R109-M139 VanDerWaalsContact CD-SD 3.56Å |
| 110 | N | 97.4 | Very high | 96.7 | Very high | 60 Ų | 60 | 65.8 Ų | 65.8 | 32% | 0.321 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 179.8 | -71.1 | -13.5 | 0 | 0 | 0 | 111.9 | F67 L106 K107 E108 L113 T114 | F67-N110 HydrophobicContact CD1-CB 4.46Å; F67-N110 HydrophobicContact CE1-CB 4.34Å; L106-N110 WeakPolarHBondContact O-CB 3.36Å; L106-N110 VanDerWaalsContact O-CG 3.22Å; L106-N110 PolarHBondContact O-N 3.12Å; L106-N110 PolarHBondContact O-ND2 3.05Å; K107-N110 PolarHBondContact O-N 3.47Å; E108-N110 VanDerWaalsContact C-N 3.33Å; E108-N110 PolarHBondContact O-N 2.88Å; N110-L113 PolarHBondContact O-N 3.24Å; N110-T114 WeakPolarHBondContact O-CG2 3.48Å; N110-T114 PolarHBondContact O-N 3.03Å; N110-T114 PolarHBondContact O-OG1 3.39Å |
| 111 | M | 96.3 | Very high | 96.8 | Very high | 6 Ų | 6 | 68 Ų | 68 | 3% | 0.03 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 174 | 179.5 | -77.6 | -68 | 0 | 0 | 112.2 | F68 D69 K107 E108 T114 L115 | F68-M111 VanDerWaalsContact C-CG 3.41Å; D69-M111 HydrophobicContact CB-CE 4.3Å; D69-M111 HydrophobicContact CB-SD 3.79Å; K107-M111 PolarHBondContact O-N 3.46Å; E108-M111 VanDerWaalsContact CD-CE 3.42Å; E108-M111 PolarHBondContact O-N 3.24Å; E108-M111 VanDerWaalsContact OE1-CE 3.28Å; E108-M111 WeakPolarHBondContact OE1-CE 3.3Å; E108-M111 VanDerWaalsContact OE2-CE 3.3Å; E108-M111 WeakPolarHBondContact OE2-CE 3.28Å; M111-T114 WeakPolarHBondContact CA-OG1 3.49Å; M111-T114 PolarHBondContact O-N 2.79Å; M111-T114 PolarHBondContact O-OG1 3.05Å; M111-L115 WeakPolarHBondContact O-CB 3.31Å; M111-L115 PolarHBondContact O-N 3.4Å |
| 112 | L | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.7 | -34.2 | 176.8 | -67.9 | 174.5 | 0 | 0 | 0 | 112.2 | E108 R109 L115 E116 M126 R131 L132 V135 | E108-L112 HydrophobicContact CG-CD1 4.06Å; E108-L112 HydrophobicContact CG-CG 4.46Å; E108-L112 VanDerWaalsContact O-CG 3.31Å; E108-L112 WeakPolarHBondContact O-CG 3.5Å; E108-L112 PolarHBondContact O-N 2.94Å; R109-L112 PolarHBondContact O-N 3.31Å; L112-L115 PolarHBondContact O-N 3.49Å; L112-E116 WeakPolarHBondContact O-CB 3.44Å; L112-E116 PolarHBondContact O-N 3.43Å; L112-M126 HydrophobicContact CB-CE 4.27Å; L112-M126 HydrophobicContact CD2-CE 4.22Å; L112-R131 HydrophobicContact CD1-CB 3.89Å; L112-R131 HydrophobicContact CD2-CB 4.22Å; L112-L132 HydrophobicContact CB-CB 4.47Å; L112-L132 HydrophobicContact CB-CD1 4.03Å; L112-L132 HydrophobicContact CD1-CB 4.25Å; L112-L132 HydrophobicContact CD1-CD1 4.43Å; L112-V135 HydrophobicContact CD1-CG2 4.16Å |
| 113 | L | 97.7 | Very high | 96.6 | Very high | 69 Ų | 69 | 78.8 Ų | 78.8 | 36% | 0.361 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.7 | -36.8 | 175.2 | -71.7 | 173.2 | 0 | 0 | 0 | 112.5 | R109 N110 Q117 L132 | R109-L113 HydrophobicContact CG-CD1 4.1Å; R109-L113 HydrophobicContact CG-CG 4.47Å; R109-L113 WeakPolarHBondContact O-CB 3.39Å; R109-L113 VanDerWaalsContact O-CG 3.26Å; R109-L113 WeakPolarHBondContact O-CG 3.35Å; R109-L113 PolarHBondContact O-N 3.31Å; N110-L113 PolarHBondContact O-N 3.24Å; L113-Q117 WeakPolarHBondContact O-CB 3.43Å; L113-Q117 PolarHBondContact O-N 2.97Å; L113-L132 HydrophobicContact CD2-CD1 4.43Å; L113-L132 HydrophobicContact CD2-CD2 4.13Å; L113-L132 HydrophobicContact CG-CD1 4.49Å |
| 114 | T | 96.7 | Very high | 96.6 | Very high | 49 Ų | 49 | 78.4 Ų | 78.4 | 30% | 0.301 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 171.9 | 48.3 | 0 | 0 | 0 | 0 | 110.6 | F67 N110 M111 Q117 E118 | F67-T114 HydrophobicContact CD1-CG2 4.24Å; F67-T114 PolarHBondContact O-OG1 3.03Å; N110-T114 WeakPolarHBondContact O-CG2 3.48Å; N110-T114 PolarHBondContact O-N 3.03Å; N110-T114 PolarHBondContact O-OG1 3.39Å; M111-T114 WeakPolarHBondContact CA-OG1 3.49Å; M111-T114 PolarHBondContact O-N 2.79Å; M111-T114 PolarHBondContact O-OG1 3.05Å; T114-Q117 PolarHBondContact O-N 2.87Å; T114-E118 WeakPolarHBondContact O-CB 3.32Å; T114-E118 PolarHBondContact O-N 3.45Å |
| 115 | L | 95.6 | Very high | 96.5 | Very high | 52 Ų | 52 | 79.3 Ų | 79.3 | 27% | 0.272 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 175.3 | -173.9 | 69.3 | 0 | 0 | 0 | 112.3 | M111 L112 Q117 E118 A119 M126 P127 | M111-L115 WeakPolarHBondContact O-CB 3.31Å; M111-L115 PolarHBondContact O-N 3.4Å; L112-L115 PolarHBondContact O-N 3.49Å; L115-Q117 VanDerWaalsContact C-N 3.31Å; L115-Q117 PolarHBondContact O-N 3.49Å; L115-E118 PolarHBondContact O-N 3Å; L115-A119 WeakPolarHBondContact O-CB 3.46Å; L115-A119 PolarHBondContact O-N 2.86Å; L115-M126 HydrophobicContact CD2-CE 4.29Å; L115-P127 HydrophobicContact CD2-CG 4.39Å |
| 116 | E | 96.2 | Very high | 96.3 | Very high | 53 Ų | 53 | 80.1 Ų | 80.1 | 25% | 0.248 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 177.1 | -170.7 | -166.2 | 169.4 | 0 | 0 | 111 | L112 A119 K120 M126 | L112-E116 WeakPolarHBondContact O-CB 3.44Å; L112-E116 PolarHBondContact O-N 3.43Å; E116-A119 PolarHBondContact O-N 3.33Å; E116-K120 WeakPolarHBondContact O-CG 3.43Å; E116-K120 PolarHBondContact O-N 3.11Å; E116-K120 VanDerWaalsContact O-N 3.07Å; E116-K120 WeakPolarHBondContact OE1-CE 3.44Å; E116-K120 IonicContact OE1-NZ 3.91Å; E116-K120 PolarHBondContact OE1-NZ 3.27Å; E116-M126 HydrophobicContact CB-CE 4.27Å; E116-M126 HydrophobicContact CB-SD 3.65Å; E116-M126 HydrophobicContact CG-SD 3.8Å |
| 117 | Q | 97.8 | Very high | 96 | Very high | 122 Ų | 122 | 79.1 Ų | 79.1 | 57% | 0.57 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -69.8 | -38.7 | -179.4 | -171.1 | 60.6 | 22 | 0 | 0 | 112.2 | L113 T114 L115 K120 R121 | L113-Q117 WeakPolarHBondContact O-CB 3.43Å; L113-Q117 PolarHBondContact O-N 2.97Å; T114-Q117 PolarHBondContact O-N 2.87Å; L115-Q117 VanDerWaalsContact C-N 3.31Å; L115-Q117 PolarHBondContact O-N 3.49Å; Q117-K120 PolarHBondContact O-N 3.36Å; Q117-R121 PolarHBondContact O-N 2.9Å |
| 118 | E | 96.1 | Very high | 95.9 | Very high | 78 Ų | 78 | 74.8 Ų | 74.8 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.5 | -38.5 | 175.8 | -170.2 | 57.8 | -152.4 | 0 | 0 | 111.5 | T114 L115 K120 R121 Q122 | T114-E118 WeakPolarHBondContact O-CB 3.32Å; T114-E118 PolarHBondContact O-N 3.45Å; L115-E118 PolarHBondContact O-N 3Å; E118-K120 VanDerWaalsContact C-N 3.33Å; E118-K120 PolarHBondContact O-N 3.27Å; E118-R121 WeakPolarHBondContact O-CB 3.49Å; E118-R121 PolarHBondContact O-N 3.43Å; E118-R121 VanDerWaalsContact O-N 3.11Å; E118-R121 IonicContact OE1-NH1 2.96Å; E118-R121 PolarHBondContact OE1-NH1 3.42Å; E118-R121 WeakPolarHBondContact OE2-CD 3.33Å; E118-R121 IonicContact OE2-NH1 3.83Å; E118-Q122 HydrophobicContact CG-CG 4.32Å; E118-Q122 WeakPolarHBondContact O-CG 3.42Å; E118-Q122 PolarHBondContact O-N 2.88Å; E118-Q122 PolarHBondContact OE1-NE2 3.39Å |
| 119 | A | 95.1 | Very high | 95.8 | Very high | 12 Ų | 12 | 75.1 Ų | 75.1 | 10% | 0.099 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59 | -44.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L115 E116 R121 Q122 R123 L124 M126 | L115-A119 WeakPolarHBondContact O-CB 3.46Å; L115-A119 PolarHBondContact O-N 2.86Å; E116-A119 PolarHBondContact O-N 3.33Å; A119-R121 PolarHBondContact O-N 2.94Å; A119-Q122 CarbonylContact O-C 3.54Å; A119-Q122 PolarHBondContact O-N 3.01Å; A119-R123 PolarHBondContact O-N 3.44Å; A119-L124 CarbonylContact C-O 3.06Å; A119-L124 PolarHBondContact O-N 2.76Å; A119-M126 HydrophobicContact CB-CB 4.22Å |
| 120 | K | 96.8 | Very high | 95.7 | Very high | 117 Ų | 117 | 74.9 Ų | 74.9 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 172.7 | -72.3 | 170.7 | -173.6 | 166.2 | 0 | 112.3 | E116 Q117 E118 R123 | E116-K120 WeakPolarHBondContact O-CG 3.43Å; E116-K120 PolarHBondContact O-N 3.11Å; E116-K120 VanDerWaalsContact O-N 3.07Å; E116-K120 WeakPolarHBondContact OE1-CE 3.44Å; E116-K120 IonicContact OE1-NZ 3.91Å; E116-K120 PolarHBondContact OE1-NZ 3.27Å; Q117-K120 PolarHBondContact O-N 3.36Å; E118-K120 VanDerWaalsContact C-N 3.33Å; E118-K120 PolarHBondContact O-N 3.27Å; K120-R123 PolarHBondContact O-N 3.25Å; K120-R123 VanDerWaalsContact O-N 3.16Å |
| 121 | R | 97.6 | Very high | 95.6 | Very high | 172 Ų | 172 | 73 Ų | 73 | 65% | 0.649 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.5 | -42.9 | 178 | -179.4 | 174.3 | 175.9 | -92.9 | -4 | 111.8 | Q117 E118 A119 R123 | Q117-R121 PolarHBondContact O-N 2.9Å; E118-R121 WeakPolarHBondContact O-CB 3.49Å; E118-R121 PolarHBondContact O-N 3.43Å; E118-R121 VanDerWaalsContact O-N 3.11Å; E118-R121 IonicContact OE1-NH1 2.96Å; E118-R121 PolarHBondContact OE1-NH1 3.42Å; E118-R121 WeakPolarHBondContact OE2-CD 3.33Å; E118-R121 IonicContact OE2-NH1 3.83Å; A119-R121 PolarHBondContact O-N 2.94Å; R121-R123 PolarHBondContact O-N 3.15Å |
| 122 | Q | 96.3 | Very high | 95.6 | Very high | 103 Ų | 103 | 73.8 Ų | 73.8 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -78.3 | -6 | 176.8 | -60.7 | -60.4 | -19 | 0 | 0 | 113.3 | E118 A119 L124 | E118-Q122 HydrophobicContact CG-CG 4.32Å; E118-Q122 WeakPolarHBondContact O-CG 3.42Å; E118-Q122 PolarHBondContact O-N 2.88Å; E118-Q122 PolarHBondContact OE1-NE2 3.39Å; A119-Q122 CarbonylContact O-C 3.54Å; A119-Q122 PolarHBondContact O-N 3.01Å; Q122-L124 HydrophobicContact CB-CD1 4.28Å; Q122-L124 HydrophobicContact CB-CG 4.26Å; Q122-L124 PolarHBondContact O-N 3.45Å |
| 123 | R | 95.8 | Very high | 95.6 | Very high | 231 Ų | 231 | 78.5 Ų | 78.5 | 87% | 0.872 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 33.6 | -175.9 | -51.5 | -179.1 | 178.7 | -174.3 | -0.6 | 113.1 | A119 K120 R121 | A119-R123 PolarHBondContact O-N 3.44Å; K120-R123 PolarHBondContact O-N 3.25Å; K120-R123 VanDerWaalsContact O-N 3.16Å; R121-R123 PolarHBondContact O-N 3.15Å |
| 124 | L | 94.8 | Very high | 95.6 | Very high | 118 Ų | 118 | 78.1 Ų | 78.1 | 62% | 0.618 | 38% | 0.378 | S | S | * | . | trans | -108.2 | 154.7 | 175.9 | -66.2 | 177.8 | 0 | 0 | 0 | 110.3 | A119 Q122 | A119-L124 CarbonylContact C-O 3.06Å; A119-L124 PolarHBondContact O-N 2.76Å; Q122-L124 HydrophobicContact CB-CD1 4.28Å; Q122-L124 HydrophobicContact CB-CG 4.26Å; Q122-L124 PolarHBondContact O-N 3.45Å | ||
| 125 | P | 94.4 | Very high | 95.6 | Very high | 108 Ų | 108 | 76.5 Ų | 76.5 | 70% | 0.701 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 143.2 | 170 | 28.7 | -34 | 0 | 0 | 0 | 110.5 | ||
| 126 | M | 93.7 | Very high | 95.8 | Very high | 32 Ų | 32 | 75.7 Ų | 75.7 | 16% | 0.158 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 134.8 | 174.9 | -179.8 | -178 | 175.9 | 0 | 0 | 110 | L112 L115 E116 A119 S128 P129 | L112-M126 HydrophobicContact CB-CE 4.27Å; L112-M126 HydrophobicContact CD2-CE 4.22Å; L115-M126 HydrophobicContact CD2-CE 4.29Å; E116-M126 HydrophobicContact CB-CE 4.27Å; E116-M126 HydrophobicContact CB-SD 3.65Å; E116-M126 HydrophobicContact CG-SD 3.8Å; A119-M126 HydrophobicContact CB-CB 4.22Å; M126-S128 PolarHBondContact O-N 3.38Å; M126-P129 HydrophobicContact SD-CB 4.33Å |
| 127 | P | 91.7 | Very high | 95.8 | Very high | 30 Ų | 30 | 77.8 Ų | 77.8 | 20% | 0.195 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -61.8 | 124.8 | 169 | -21 | 32.8 | 0 | 0 | 0 | 110.5 | Q76 L115 | Q76-P127 WeakPolarHBondContact O-CB 3.31Å; L115-P127 HydrophobicContact CD2-CG 4.39Å |
| 128 | S | 92.9 | Very high | 95.8 | Very high | 11 Ų | 11 | 72.2 Ų | 72.2 | 8% | 0.077 | 35% | 0.352 | C | S | . | . | trans | 44.8 | 66.7 | 171.6 | -79.9 | 0 | 0 | 0 | 0 | 115.7 | V79 M126 E130 R131 | V79-S128 PolarHBondContact N-OG 3.31Å; M126-S128 PolarHBondContact O-N 3.38Å; S128-E130 VanDerWaalsContact CA-CD 3.48Å; S128-E130 WeakPolarHBondContact CA-OE1 3.34Å; S128-E130 WeakPolarHBondContact CA-OE2 3.33Å; S128-E130 WeakPolarHBondContact CB-OE1 3.46Å; S128-E130 PolarHBondContact O-N 2.73Å; S128-E130 VanDerWaalsContact O-N 3.13Å; S128-E130 PolarHBondContact OG-OE1 3.3Å; S128-R131 WeakPolarHBondContact O-CB 3.47Å; S128-R131 PolarHBondContact O-N 2.99Å; S128-R131 VanDerWaalsContact O-N 3.1Å | ||
| 129 | P | 94.6 | Very high | 95.9 | Very high | 70 Ų | 70 | 68.6 Ų | 68.6 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -24.8 | 179.4 | 26.7 | -35.7 | 0 | 0 | 0 | 113.5 | M126 R131 L132 | M126-P129 HydrophobicContact SD-CB 4.33Å; P129-R131 PolarHBondContact O-N 3.49Å; P129-L132 WeakPolarHBondContact O-CB 3.48Å; P129-L132 PolarHBondContact O-N 3.44Å |
| 130 | E | 95.5 | Very high | 96.1 | Very high | 79 Ų | 79 | 72.4 Ų | 72.4 | 37% | 0.369 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.8 | -22 | 175.9 | 67.7 | -79.6 | -178 | 0 | 0 | 113.5 | S128 L132 K134 | S128-E130 VanDerWaalsContact CA-CD 3.48Å; S128-E130 WeakPolarHBondContact CA-OE1 3.34Å; S128-E130 WeakPolarHBondContact CA-OE2 3.33Å; S128-E130 WeakPolarHBondContact CB-OE1 3.46Å; S128-E130 PolarHBondContact O-N 2.73Å; S128-E130 VanDerWaalsContact O-N 3.13Å; S128-E130 PolarHBondContact OG-OE1 3.3Å; E130-L132 VanDerWaalsContact C-N 3.33Å; E130-K134 WeakPolarHBondContact O-CD 3.35Å; E130-K134 WeakPolarHBondContact O-CG 3.42Å; E130-K134 PolarHBondContact O-N 3.05Å; E130-K134 VanDerWaalsContact O-N 3.13Å |
| 131 | R | 95.8 | Very high | 96.2 | Very high | 21 Ų | 21 | 67.3 Ų | 67.3 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62 | -42.9 | 173.3 | -75.5 | 176.8 | 64.4 | -175.3 | 3.2 | 111.4 | D69 V79 S81 E108 L112 S128 P129 K134 V135 | D69-R131 IonicContact OD2-CZ 3.91Å; D69-R131 IonicContact OD2-NH1 3.69Å; D69-R131 PolarHBondContact OD2-NH1 2.81Å; D69-R131 IonicContact OD2-NH2 3.6Å; D69-R131 PolarHBondContact OD2-NH2 2.91Å; V79-R131 VanDerWaalsContact CG1-NH1 3.28Å; S81-R131 WeakPolarHBondContact OG-CG 3.45Å; E108-R131 IonicContact OE1-CZ 3.74Å; E108-R131 IonicContact OE1-NE 2.7Å; E108-R131 IonicContact OE1-NH2 3.46Å; E108-R131 PolarHBondContact OE1-NH2 2.72Å; L112-R131 HydrophobicContact CD1-CB 3.89Å; L112-R131 HydrophobicContact CD2-CB 4.22Å; S128-R131 WeakPolarHBondContact O-CB 3.47Å; S128-R131 PolarHBondContact O-N 2.99Å; S128-R131 VanDerWaalsContact O-N 3.1Å; P129-R131 PolarHBondContact O-N 3.49Å; R131-K134 PolarHBondContact O-N 3.33Å; R131-V135 VanDerWaalsContact O-CG2 3.31Å; R131-V135 WeakPolarHBondContact O-CG2 3.42Å; R131-V135 PolarHBondContact O-N 3.01Å; R131-V135 VanDerWaalsContact O-N 3.09Å |
| 132 | L | 96.1 | Very high | 96.2 | Very high | 22 Ų | 22 | 59.4 Ų | 59.4 | 12% | 0.115 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.5 | -45.4 | -177.9 | -179.9 | 60.1 | 0 | 0 | 0 | 110.2 | R109 L112 L113 P129 E130 K134 V135 V136 | R109-L132 HydrophobicContact CG-CD1 4.18Å; L112-L132 HydrophobicContact CB-CB 4.47Å; L112-L132 HydrophobicContact CB-CD1 4.03Å; L112-L132 HydrophobicContact CD1-CB 4.25Å; L112-L132 HydrophobicContact CD1-CD1 4.43Å; L113-L132 HydrophobicContact CD2-CD1 4.43Å; L113-L132 HydrophobicContact CD2-CD2 4.13Å; L113-L132 HydrophobicContact CG-CD1 4.49Å; P129-L132 WeakPolarHBondContact O-CB 3.48Å; P129-L132 PolarHBondContact O-N 3.44Å; E130-L132 VanDerWaalsContact C-N 3.33Å; L132-K134 VanDerWaalsContact C-N 3.34Å; L132-K134 PolarHBondContact O-N 3.06Å; L132-V135 PolarHBondContact O-N 2.82Å; L132-V135 VanDerWaalsContact O-N 3.13Å; L132-V136 HydrophobicContact CD1-CG2 4.3Å; L132-V136 HydrophobicContact CG-CG2 4.47Å; L132-V136 WeakPolarHBondContact O-CG2 3.46Å; L132-V136 PolarHBondContact O-N 3.43Å |
| 133 | D | 96.8 | Very high | 96.3 | Very high | 100 Ų | 100 | 58.7 Ų | 58.7 | 54% | 0.535 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.8 | -46.9 | 177.7 | -62.5 | -23.4 | 0 | 0 | 0 | 111.2 | V135 V136 D137 | D133-V135 VanDerWaalsContact C-N 3.31Å; D133-V135 PolarHBondContact O-N 3.4Å; D133-V136 PolarHBondContact O-N 3.09Å; D133-D137 WeakPolarHBondContact O-CB 3.44Å; D133-D137 VanDerWaalsContact O-CG 3.32Å; D133-D137 PolarHBondContact O-N 3.43Å |
| 134 | K | 97.5 | Very high | 96.4 | Very high | 61 Ų | 61 | 53 Ų | 53 | 27% | 0.265 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.9 | -39.3 | 176.5 | -69.9 | 167.8 | -176.9 | -174.6 | 0 | 113 | S81 G82 A84 E130 R131 L132 S138 | S81-K134 PolarHBondContact OG-NZ 3.31Å; G82-K134 WeakPolarHBondContact O-CD 3.39Å; G82-K134 PolarHBondContact O-NZ 3.44Å; A84-K134 HydrophobicContact CB-CB 4.03Å; A84-K134 HydrophobicContact CB-CG 4.34Å; A84-K134 WeakPolarHBondContact CB-O 3.27Å; E130-K134 WeakPolarHBondContact O-CD 3.35Å; E130-K134 WeakPolarHBondContact O-CG 3.42Å; E130-K134 PolarHBondContact O-N 3.05Å; E130-K134 VanDerWaalsContact O-N 3.13Å; R131-K134 PolarHBondContact O-N 3.33Å; L132-K134 VanDerWaalsContact C-N 3.34Å; L132-K134 PolarHBondContact O-N 3.06Å; K134-S138 WeakPolarHBondContact O-CB 3.35Å; K134-S138 PolarHBondContact O-N 3.26Å; K134-S138 PolarHBondContact O-OG 2.82Å |
| 135 | V | 97.8 | Very high | 96.6 | Very high | 14 Ų | 14 | 47.4 Ų | 47.4 | 9% | 0.085 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.6 | -42.5 | 178.3 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | L105 E108 R109 L112 R131 L132 D133 S138 M139 | L105-V135 HydrophobicContact CB-CG1 4.43Å; E108-V135 HydrophobicContact CG-CG2 3.78Å; R109-V135 HydrophobicContact CB-CG1 3.86Å; L112-V135 HydrophobicContact CD1-CG2 4.16Å; R131-V135 VanDerWaalsContact O-CG2 3.31Å; R131-V135 WeakPolarHBondContact O-CG2 3.42Å; R131-V135 PolarHBondContact O-N 3.01Å; R131-V135 VanDerWaalsContact O-N 3.09Å; L132-V135 PolarHBondContact O-N 2.82Å; L132-V135 VanDerWaalsContact O-N 3.13Å; D133-V135 VanDerWaalsContact C-N 3.31Å; D133-V135 PolarHBondContact O-N 3.4Å; V135-S138 WeakPolarHBondContact O-CB 3.44Å; V135-S138 PolarHBondContact O-N 3.45Å; V135-M139 WeakPolarHBondContact O-CG 3.47Å; V135-M139 PolarHBondContact O-N 2.88Å |
| 136 | V | 97.8 | Very high | 96.7 | Very high | 36 Ų | 36 | 44.3 Ų | 44.3 | 22% | 0.218 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -49.2 | 175.5 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | L132 D133 S138 M139 D140 | L132-V136 HydrophobicContact CD1-CG2 4.3Å; L132-V136 HydrophobicContact CG-CG2 4.47Å; L132-V136 WeakPolarHBondContact O-CG2 3.46Å; L132-V136 PolarHBondContact O-N 3.43Å; D133-V136 PolarHBondContact O-N 3.09Å; V136-S138 VanDerWaalsContact C-N 3.27Å; V136-S138 PolarHBondContact O-N 2.64Å; V136-M139 PolarHBondContact O-N 2.87Å; V136-M139 VanDerWaalsContact O-N 3.09Å; V136-D140 PolarHBondContact O-N 3.18Å |
| 137 | D | 98 | Very high | 96.9 | Very high | 97 Ų | 97 | 47.7 Ų | 47.7 | 52% | 0.519 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58 | -40.6 | 176.2 | -72.8 | -13.2 | 0 | 0 | 0 | 111.8 | A84 D133 D140 A141 | A84-D137 HydrophobicContact CB-CB 4.44Å; D133-D137 WeakPolarHBondContact O-CB 3.44Å; D133-D137 VanDerWaalsContact O-CG 3.32Å; D133-D137 PolarHBondContact O-N 3.43Å; D137-D140 PolarHBondContact O-N 3.15Å; D137-A141 WeakPolarHBondContact O-CB 3.28Å; D137-A141 PolarHBondContact O-N 3.46Å |
| 138 | S | 97.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.028 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66 | -39.4 | 177.2 | -60.1 | 0 | 0 | 0 | 0 | 112.2 | A84 W85 K134 V135 V136 L142 | A84-S138 WeakPolarHBondContact CA-OG 3.32Å; W85-S138 PolarHBondContact N-OG 3.27Å; K134-S138 WeakPolarHBondContact O-CB 3.35Å; K134-S138 PolarHBondContact O-N 3.26Å; K134-S138 PolarHBondContact O-OG 2.82Å; V135-S138 WeakPolarHBondContact O-CB 3.44Å; V135-S138 PolarHBondContact O-N 3.45Å; V136-S138 VanDerWaalsContact C-N 3.27Å; V136-S138 PolarHBondContact O-N 2.64Å; S138-L142 WeakPolarHBondContact O-CB 3.34Å; S138-L142 PolarHBondContact O-N 2.85Å; S138-L142 VanDerWaalsContact O-N 3.07Å |
| 139 | M | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67 | -46.2 | 176.1 | -72.5 | -170.8 | 76 | 0 | 0 | 111 | W102 L105 L106 R109 V135 V136 A141 L142 D143 | W102-M139 HydrophobicContact CD2-CE 3.97Å; W102-M139 HydrophobicContact CE3-CE 4Å; W102-M139 HydrophobicContact CH2-CB 4.48Å; W102-M139 HydrophobicContact CH2-CE 3.52Å; W102-M139 HydrophobicContact CZ2-CE 3.42Å; W102-M139 VanDerWaalsContact CZ2-CE 3.42Å; W102-M139 HydrophobicContact CZ3-CB 4.02Å; W102-M139 HydrophobicContact CZ3-CE 3.8Å; W102-M139 HydrophobicContact CZ3-CG 4.47Å; W102-M139 WeakPolarHBondContact CZ3-O 3.45Å; L105-M139 HydrophobicContact CB-CG 3.89Å; L105-M139 HydrophobicContact CB-SD 4.47Å; L105-M139 HydrophobicContact CD1-CG 4.23Å; L106-M139 HydrophobicContact CB-CE 4.39Å; L106-M139 HydrophobicContact CD1-CE 4Å; R109-M139 HydrophobicContact CB-SD 4.32Å; R109-M139 VanDerWaalsContact CD-SD 3.56Å; V135-M139 WeakPolarHBondContact O-CG 3.47Å; V135-M139 PolarHBondContact O-N 2.88Å; V136-M139 PolarHBondContact O-N 2.87Å; V136-M139 VanDerWaalsContact O-N 3.09Å; M139-A141 VanDerWaalsContact C-N 3.32Å; M139-A141 PolarHBondContact O-N 3.37Å; M139-L142 WeakPolarHBondContact O-CB 3.31Å; M139-L142 PolarHBondContact O-N 3.48Å; M139-L142 VanDerWaalsContact O-N 3.14Å; M139-D143 PolarHBondContact O-N 2.86Å |
| 140 | D | 98.2 | Very high | 97.6 | Very high | 93 Ų | 93 | 54.8 Ų | 54.8 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.6 | -38 | 178.8 | -69.3 | -9.5 | 0 | 0 | 0 | 111.4 | V136 D137 L142 K144 | V136-D140 PolarHBondContact O-N 3.18Å; D137-D140 PolarHBondContact O-N 3.15Å; D140-L142 VanDerWaalsContact C-N 3.34Å; D140-L142 PolarHBondContact O-N 3.37Å; D140-K144 VanDerWaalsContact O-CB 3.25Å; D140-K144 WeakPolarHBondContact O-CB 3.45Å; D140-K144 PolarHBondContact O-N 3.29Å |
| 141 | A | 98.1 | Very high | 97.7 | Very high | 10 Ų | 10 | 53.1 Ų | 53.1 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L90 D137 M139 V145 | L90-A141 HydrophobicContact CD1-CB 3.96Å; D137-A141 WeakPolarHBondContact O-CB 3.28Å; D137-A141 PolarHBondContact O-N 3.46Å; M139-A141 VanDerWaalsContact C-N 3.32Å; M139-A141 PolarHBondContact O-N 3.37Å; A141-V145 WeakPolarHBondContact O-CG2 3.43Å; A141-V145 PolarHBondContact O-N 3.41Å; A141-V145 VanDerWaalsContact O-N 3.12Å |
| 142 | L | 97.9 | Very high | 97.8 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.1 | -49.5 | 177.3 | -165.3 | 163.1 | 0 | 0 | 0 | 111.1 | L90 L98 L101 W102 L105 S138 M139 D140 K144 V145 V146 | L90-L142 HydrophobicContact CD1-CB 3.98Å; L98-L142 HydrophobicContact CB-CD2 4.31Å; L98-L142 HydrophobicContact CB-CG 4.49Å; L98-L142 HydrophobicContact CD2-CD1 4.43Å; L98-L142 HydrophobicContact CD2-CG 4.24Å; L101-L142 HydrophobicContact CB-CD1 4.32Å; L101-L142 HydrophobicContact CD2-CD1 4.17Å; L101-L142 HydrophobicContact CG-CD1 4.16Å; W102-L142 HydrophobicContact CB-CD1 4.18Å; W102-L142 HydrophobicContact CE3-CB 4.39Å; W102-L142 HydrophobicContact CE3-CD1 4.27Å; W102-L142 HydrophobicContact CE3-CD2 3.87Å; W102-L142 HydrophobicContact CE3-CG 4.39Å; L105-L142 HydrophobicContact CD1-CD1 4.43Å; S138-L142 WeakPolarHBondContact O-CB 3.34Å; S138-L142 PolarHBondContact O-N 2.85Å; S138-L142 VanDerWaalsContact O-N 3.07Å; M139-L142 WeakPolarHBondContact O-CB 3.31Å; M139-L142 PolarHBondContact O-N 3.48Å; M139-L142 VanDerWaalsContact O-N 3.14Å; D140-L142 VanDerWaalsContact C-N 3.34Å; D140-L142 PolarHBondContact O-N 3.37Å; L142-K144 VanDerWaalsContact C-N 3.29Å; L142-K144 PolarHBondContact O-N 3.02Å; L142-V145 PolarHBondContact O-N 3.15Å; L142-V145 VanDerWaalsContact O-N 3.15Å; L142-V146 HydrophobicContact CD2-CG2 3.88Å; L142-V146 WeakPolarHBondContact O-CG2 3.33Å; L142-V146 PolarHBondContact O-N 2.96Å |
| 143 | D | 98.2 | Very high | 97.9 | Very high | 87 Ų | 87 | 58.2 Ų | 58.2 | 47% | 0.465 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.8 | -44.5 | 177.7 | -167.8 | 23.9 | 0 | 0 | 0 | 110.8 | W102 M139 V145 V146 Q147 | W102-D143 HydrophobicContact CZ3-CB 4.2Å; M139-D143 PolarHBondContact O-N 2.86Å; D143-V145 PolarHBondContact O-N 3.12Å; D143-V146 PolarHBondContact O-N 3.2Å; D143-Q147 WeakPolarHBondContact O-CB 3.4Å; D143-Q147 PolarHBondContact O-N 3.25Å |
| 144 | K | 98.3 | Very high | 98 | Very high | 112 Ų | 112 | 55.4 Ų | 55.4 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.1 | -46 | 174.8 | -176.8 | 179.2 | 178.4 | -178.7 | 0 | 113 | D140 L142 Q147 E148 | D140-K144 VanDerWaalsContact O-CB 3.25Å; D140-K144 WeakPolarHBondContact O-CB 3.45Å; D140-K144 PolarHBondContact O-N 3.29Å; L142-K144 VanDerWaalsContact C-N 3.29Å; L142-K144 PolarHBondContact O-N 3.02Å; K144-Q147 PolarHBondContact O-N 3.22Å; K144-E148 WeakPolarHBondContact CE-OE1 3.41Å; K144-E148 HydrophobicContact CG-CG 4.48Å; K144-E148 WeakPolarHBondContact O-CB 3.34Å; K144-E148 VanDerWaalsContact O-CG 3.29Å; K144-E148 WeakPolarHBondContact O-CG 3.18Å; K144-E148 PolarHBondContact O-N 2.97Å |
| 145 | V | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.9 | -39.2 | -179.8 | 168 | 0 | 0 | 0 | 0 | 111.4 | C87 L90 R91 L98 A141 L142 D143 E148 R149 | C87-V145 HydrophobicContact CB-CG2 4.04Å; L90-V145 HydrophobicContact CB-CG2 4.2Å; R91-V145 HydrophobicContact CG-CG1 4.07Å; R91-V145 HydrophobicContact CG-CG2 4.07Å; L98-V145 HydrophobicContact CD1-CG1 4.32Å; A141-V145 WeakPolarHBondContact O-CG2 3.43Å; A141-V145 PolarHBondContact O-N 3.41Å; A141-V145 VanDerWaalsContact O-N 3.12Å; L142-V145 PolarHBondContact O-N 3.15Å; L142-V145 VanDerWaalsContact O-N 3.15Å; D143-V145 PolarHBondContact O-N 3.12Å; V145-E148 PolarHBondContact O-N 3.38Å; V145-R149 WeakPolarHBondContact O-CG 3.18Å; V145-R149 PolarHBondContact O-N 3.14Å; V145-R149 VanDerWaalsContact O-N 3.15Å |
| 146 | V | 98.1 | Very high | 98 | Very high | 42 Ų | 42 | 63.1 Ų | 63.1 | 26% | 0.255 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.5 | -45 | 175.7 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | L98 L142 D143 E148 R149 E150 | L98-V146 HydrophobicContact CD1-CG2 4.15Å; L142-V146 HydrophobicContact CD2-CG2 3.88Å; L142-V146 WeakPolarHBondContact O-CG2 3.33Å; L142-V146 PolarHBondContact O-N 2.96Å; D143-V146 PolarHBondContact O-N 3.2Å; V146-E148 PolarHBondContact O-N 2.95Å; V146-R149 WeakPolarHBondContact O-CB 3.39Å; V146-R149 PolarHBondContact O-N 2.86Å; V146-E150 PolarHBondContact O-N 3.44Å |
| 147 | Q | 98 | Very high | 98.1 | Very high | 103 Ų | 103 | 68.3 Ų | 68.3 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 176.4 | -167.7 | -177.9 | -5.9 | 0 | 0 | 112.3 | D143 K144 R149 E150 D151 | D143-Q147 WeakPolarHBondContact O-CB 3.4Å; D143-Q147 PolarHBondContact O-N 3.25Å; K144-Q147 PolarHBondContact O-N 3.22Å; Q147-R149 VanDerWaalsContact C-N 3.29Å; Q147-R149 PolarHBondContact O-N 3.42Å; Q147-E150 PolarHBondContact O-N 3.5Å; Q147-D151 VanDerWaalsContact O-CB 3.27Å; Q147-D151 WeakPolarHBondContact O-CB 3.48Å; Q147-D151 PolarHBondContact O-N 3.09Å |
| 148 | E | 97.7 | Very high | 98 | Very high | 69 Ų | 69 | 67.6 Ų | 67.6 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.3 | -43.1 | 174.3 | -78.5 | 173.9 | -173.8 | 0 | 0 | 111.4 | R91 K144 V145 V146 A152 | R91-E148 IonicContact CZ-OE2 3.43Å; R91-E148 IonicContact NE-OE2 2.83Å; R91-E148 PolarHBondContact NE-OE2 3.07Å; R91-E148 IonicContact NH2-OE1 2.9Å; R91-E148 PolarHBondContact NH2-OE1 2.92Å; R91-E148 IonicContact NH2-OE2 3.57Å; R91-E148 PolarHBondContact NH2-OE2 3.5Å; K144-E148 WeakPolarHBondContact CE-OE1 3.41Å; K144-E148 HydrophobicContact CG-CG 4.48Å; K144-E148 WeakPolarHBondContact O-CB 3.34Å; K144-E148 VanDerWaalsContact O-CG 3.29Å; K144-E148 WeakPolarHBondContact O-CG 3.18Å; K144-E148 PolarHBondContact O-N 2.97Å; V145-E148 PolarHBondContact O-N 3.38Å; V146-E148 PolarHBondContact O-N 2.95Å; E148-A152 WeakPolarHBondContact O-CB 3.44Å; E148-A152 PolarHBondContact O-N 2.9Å |
| 149 | R | 97.8 | Very high | 98 | Very high | 74 Ų | 74 | 69.8 Ų | 69.8 | 28% | 0.279 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66 | -46.6 | 178.3 | -70.1 | 171.3 | 179.8 | -171.6 | 0.1 | 111.8 | L90 R91 K93 N95 V145 V146 Q147 L153 | L90-R149 PolarHBondContact O-NH2 3.09Å; R91-R149 PolarHBondContact O-NH2 3.44Å; K93-R149 PolarHBondContact O-NH1 2.84Å; K93-R149 VanDerWaalsContact O-NH1 3.08Å; K93-R149 PolarHBondContact O-NH2 3.45Å; N95-R149 PolarHBondContact OD1-NH1 3Å; V145-R149 WeakPolarHBondContact O-CG 3.18Å; V145-R149 PolarHBondContact O-N 3.14Å; V145-R149 VanDerWaalsContact O-N 3.15Å; V146-R149 WeakPolarHBondContact O-CB 3.39Å; V146-R149 PolarHBondContact O-N 2.86Å; Q147-R149 VanDerWaalsContact C-N 3.29Å; Q147-R149 PolarHBondContact O-N 3.42Å; R149-L153 WeakPolarHBondContact O-CB 3.33Å; R149-L153 PolarHBondContact O-N 2.9Å |
| 150 | E | 97.9 | Very high | 97.9 | Very high | 118 Ų | 118 | 75.5 Ų | 75.5 | 55% | 0.551 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.5 | -39.8 | 178.3 | -71.2 | -171.1 | 171.2 | 0 | 0 | 112.3 | V146 Q147 L153 R154 | V146-E150 PolarHBondContact O-N 3.44Å; Q147-E150 PolarHBondContact O-N 3.5Å; E150-L153 PolarHBondContact O-N 2.89Å; E150-R154 VanDerWaalsContact O-CB 3.31Å; E150-R154 WeakPolarHBondContact O-CB 3.2Å; E150-R154 PolarHBondContact O-N 2.88Å |
| 151 | D | 97.9 | Very high | 97.8 | Very high | 44 Ų | 44 | 78.2 Ų | 78.2 | 24% | 0.235 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.7 | -44.4 | 179.4 | -71.6 | -9.4 | 0 | 0 | 0 | 111.2 | Q147 R154 L155 | Q147-D151 VanDerWaalsContact O-CB 3.27Å; Q147-D151 WeakPolarHBondContact O-CB 3.48Å; Q147-D151 PolarHBondContact O-N 3.09Å; D151-R154 VanDerWaalsContact CG-NH2 3.33Å; D151-R154 PolarHBondContact O-N 3.13Å; D151-R154 IonicContact OD1-CZ 3.75Å; D151-R154 IonicContact OD1-NH1 2.79Å; D151-R154 PolarHBondContact OD1-NH1 3.09Å; D151-R154 IonicContact OD1-NH2 2.72Å; D151-R154 PolarHBondContact OD1-NH2 3.34Å; D151-R154 IonicContact OD2-NH2 3.31Å; D151-L155 WeakPolarHBondContact O-CG 3.29Å; D151-L155 PolarHBondContact O-N 3.46Å |
| 152 | A | 98 | Very high | 97.7 | Very high | 52 Ų | 52 | 83.5 Ų | 83.5 | 43% | 0.43 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | E148 R154 L155 L156 | E148-A152 WeakPolarHBondContact O-CB 3.44Å; E148-A152 PolarHBondContact O-N 2.9Å; A152-R154 PolarHBondContact O-N 2.67Å; A152-L155 PolarHBondContact O-N 3.41Å; A152-L156 WeakPolarHBondContact O-CG 3.47Å; A152-L156 PolarHBondContact O-N 2.98Å; A152-L156 VanDerWaalsContact O-N 3.15Å |
| 153 | L | 98.2 | Very high | 97.6 | Very high | 97 Ų | 97 | 86.7 Ų | 86.7 | 51% | 0.508 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 176.7 | -178.6 | 62.7 | 0 | 0 | 0 | 111.7 | R149 E150 L155 L156 Q157 | R149-L153 WeakPolarHBondContact O-CB 3.33Å; R149-L153 PolarHBondContact O-N 2.9Å; E150-L153 PolarHBondContact O-N 2.89Å; L153-L155 VanDerWaalsContact C-N 3.34Å; L153-L155 PolarHBondContact O-N 3.22Å; L153-L156 PolarHBondContact O-N 3.42Å; L153-Q157 HydrophobicContact CD1-CG 4.22Å; L153-Q157 WeakPolarHBondContact O-CG 3.45Å; L153-Q157 PolarHBondContact O-N 2.66Å |
| 154 | R | 98 | Very high | 97.5 | Very high | 42 Ų | 42 | 88.9 Ų | 88.9 | 16% | 0.158 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 179 | -177.7 | 174.2 | 63.2 | -116.9 | 5.7 | 112.2 | E150 D151 A152 Q157 T158 G159 Q160 E161 A163 | E150-R154 VanDerWaalsContact O-CB 3.31Å; E150-R154 WeakPolarHBondContact O-CB 3.2Å; E150-R154 PolarHBondContact O-N 2.88Å; D151-R154 VanDerWaalsContact CG-NH2 3.33Å; D151-R154 PolarHBondContact O-N 3.13Å; D151-R154 IonicContact OD1-CZ 3.75Å; D151-R154 IonicContact OD1-NH1 2.79Å; D151-R154 PolarHBondContact OD1-NH1 3.09Å; D151-R154 IonicContact OD1-NH2 2.72Å; D151-R154 PolarHBondContact OD1-NH2 3.34Å; D151-R154 IonicContact OD2-NH2 3.31Å; A152-R154 PolarHBondContact O-N 2.67Å; R154-Q157 PolarHBondContact O-N 2.85Å; R154-T158 WeakPolarHBondContact CG-OG1 3.46Å; R154-T158 PolarHBondContact O-N 3.39Å; R154-T158 PolarHBondContact O-OG1 3.41Å; R154-G159 PolarHBondContact O-N 2.92Å; R154-Q160 PolarHBondContact NE-O 3.46Å; R154-Q160 VanDerWaalsContact NE-O 3.16Å; R154-E161 PolarHBondContact NH2-O 3.41Å; R154-A163 VanDerWaalsContact NH1-CB 3.31Å |
| 155 | L | 98.3 | Very high | 97.4 | Very high | 82 Ų | 82 | 87.6 Ų | 87.6 | 43% | 0.429 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 176 | -75.1 | 171.9 | 0 | 0 | 0 | 111.6 | D151 A152 L153 G159 E161 | D151-L155 WeakPolarHBondContact O-CG 3.29Å; D151-L155 PolarHBondContact O-N 3.46Å; A152-L155 PolarHBondContact O-N 3.41Å; L153-L155 VanDerWaalsContact C-N 3.34Å; L153-L155 PolarHBondContact O-N 3.22Å; L155-G159 WeakPolarHBondContact O-CA 3.11Å; L155-G159 PolarHBondContact O-N 3.43Å; L155-E161 HydrophobicContact CD2-CG 4.33Å |
| 156 | L | 98.3 | Very high | 97.4 | Very high | 155 Ų | 155 | 88.4 Ų | 88.4 | 81% | 0.812 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -67.9 | -38 | 177.7 | -67.8 | 173.9 | 0 | 0 | 0 | 112.8 | A152 L153 | A152-L156 WeakPolarHBondContact O-CG 3.47Å; A152-L156 PolarHBondContact O-N 2.98Å; A152-L156 VanDerWaalsContact O-N 3.15Å; L153-L156 PolarHBondContact O-N 3.42Å |
| 157 | Q | 97.9 | Very high | 97.3 | Very high | 145 Ų | 145 | 87.8 Ų | 87.8 | 68% | 0.678 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -82.4 | -39.8 | -176.8 | -70.3 | -175.4 | -26.1 | 0 | 0 | 113.9 | L153 R154 | L153-Q157 HydrophobicContact CD1-CG 4.22Å; L153-Q157 WeakPolarHBondContact O-CG 3.45Å; L153-Q157 PolarHBondContact O-N 2.66Å; R154-Q157 PolarHBondContact O-N 2.85Å |
| 158 | T | 97.8 | Very high | 97.3 | Very high | 81 Ų | 81 | 90.7 Ų | 90.7 | 50% | 0.497 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -124.4 | -15.5 | -170.3 | 64.1 | 0 | 0 | 0 | 0 | 114.1 | R154 Q160 | R154-T158 WeakPolarHBondContact CG-OG1 3.46Å; R154-T158 PolarHBondContact O-N 3.39Å; R154-T158 PolarHBondContact O-OG1 3.41Å; T158-Q160 PolarHBondContact O-N 3.07Å; T158-Q160 PolarHBondContact OG1-N 3.16Å |
| 159 | G | 97.1 | Very high | 97.3 | Very high | 51 Ų | 51 | 90.6 Ų | 90.6 | 53% | 0.526 | 47% | 0.466 | S | S | . | . | trans | 69.1 | 7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R154 L155 | R154-G159 PolarHBondContact O-N 2.92Å; L155-G159 WeakPolarHBondContact O-CA 3.11Å; L155-G159 PolarHBondContact O-N 3.43Å | ||
| 160 | Q | 96.7 | Very high | 97.3 | Very high | 122 Ų | 122 | 94.7 Ų | 94.7 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | trans | -88.7 | 121.3 | -176 | -60.7 | -62.5 | -39.1 | 0 | 0 | 112 | R154 T158 R162 | R154-Q160 PolarHBondContact NE-O 3.46Å; R154-Q160 VanDerWaalsContact NE-O 3.16Å; T158-Q160 PolarHBondContact O-N 3.07Å; T158-Q160 PolarHBondContact OG1-N 3.16Å; Q160-R162 PolarHBondContact O-N 2.94Å | ||
| 161 | E | 95.8 | Very high | 97.2 | Very high | 150 Ų | 150 | 90.4 Ų | 90.4 | 70% | 0.701 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -63.8 | -37.9 | 178.8 | -64.1 | -178.5 | 169.2 | 0 | 0 | 113 | R154 L155 | R154-E161 PolarHBondContact NH2-O 3.41Å; L155-E161 HydrophobicContact CD2-CG 4.33Å |
| 162 | R | 94.8 | Very high | 97.1 | Very high | 120 Ų | 120 | 91 Ų | 91 | 45% | 0.453 | 47% | 0.465 | S | S | . | . | trans | -108.5 | 129.8 | -171.4 | -65.3 | 178.9 | -179.6 | 154.3 | 4.9 | 111.8 | Q160 R164 | Q160-R162 PolarHBondContact O-N 2.94Å; R162-R164 VanDerWaalsContact C-N 3.34Å; R162-R164 PolarHBondContact O-N 3.37Å | ||
| 163 | A | 95.7 | Very high | 97 | Very high | 73 Ų | 73 | 94.8 Ų | 94.8 | 60% | 0.603 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -59.7 | -45 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R154 P165 | R154-A163 VanDerWaalsContact NH1-CB 3.31Å; A163-P165 WeakPolarHBondContact O-CD 3.08Å |
| 164 | R | 96.2 | Very high | 96.9 | Very high | 133 Ų | 133 | 90.7 Ų | 90.7 | 50% | 0.502 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -94.9 | 121.1 | -178.1 | -173.4 | 173.2 | 178.7 | 176.6 | 0.9 | 110.8 | R162 F181 | R162-R164 VanDerWaalsContact C-N 3.34Å; R162-R164 PolarHBondContact O-N 3.37Å; R164-F181 PolarHBondContact NE-O 2.9Å; R164-F181 VanDerWaalsContact NE-O 3.09Å; R164-F181 PolarHBondContact NH2-O 2.85Å |
| 165 | P | 97.4 | Very high | 96.8 | Very high | 85 Ų | 85 | 94.4 Ų | 94.4 | 55% | 0.552 | 47% | 0.468 | S | S | * | . | trans | -60.9 | 148.5 | 176.8 | -26.2 | 36 | 0 | 0 | 0 | 113.1 | A163 F181 | A163-P165 WeakPolarHBondContact O-CD 3.08Å; P165-F181 HydrophobicContact CB-CD2 3.73Å; P165-F181 HydrophobicContact CB-CE2 4.42Å; P165-F181 PolarHBondContact O-N 3.42Å | ||
| 166 | G | 97.1 | Very high | 96.7 | Very high | 18 Ų | 18 | 96.3 Ų | 96.3 | 19% | 0.186 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.4 | 174.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | W178 H179 | G166-W178 VanDerWaalsContact CA-CZ2 3.43Å; G166-W178 WeakPolarHBondContact O-CH2 3.22Å; G166-W178 WeakPolarHBondContact O-CZ2 3.22Å; G166-H179 WeakPolarHBondContact CA-O 3.25Å |
| 167 | A | 97.6 | Very high | 96.7 | Very high | 30 Ų | 30 | 91.9 Ų | 91.9 | 25% | 0.248 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 151.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | R169 H179 F181 | A167-R169 PolarHBondContact O-N 3.49Å; A167-H179 PolarHBondContact N-O 3.16Å; A167-H179 VanDerWaalsContact N-O 3.11Å; A167-H179 WeakPolarHBondContact O-CB 3.38Å; A167-H179 PolarHBondContact O-N 3.44Å; A167-F181 HydrophobicContact CB-CE1 4.13Å; A167-F181 HydrophobicContact CB-CZ 3.71Å |
| 168 | W | 98.1 | Very high | 96.6 | Very high | 163 Ų | 163 | 88.6 Ų | 88.6 | 62% | 0.617 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 126.9 | 168.9 | -67.4 | 110.9 | 0 | 0 | 0 | 109.9 | I176 W178 | W168-I176 HydrophobicContact CD2-CG2 4.33Å; W168-I176 HydrophobicContact CE3-CG2 3.54Å; W168-I176 HydrophobicContact CZ3-CG2 4.04Å; W168-W178 AromaticContact CD1-CE3 3.99Å; W168-W178 AromaticContact CD1-CZ3 3.86Å; W168-W178 AromaticContact CD2-CE3 3.79Å; W168-W178 HydrophobicContact CD2-CE3 3.79Å; W168-W178 HydrophobicContact CD2-CZ3 4.42Å; W168-W178 AromaticContact CE2-CE3 3.7Å; W168-W178 HydrophobicContact CE3-CB 4.22Å; W168-W178 HydrophobicContact CE3-CE3 4.34Å; W168-W178 HydrophobicContact CG-CE3 4Å; W168-W178 HydrophobicContact CG-CZ3 4.25Å; W168-W178 HydrophobicContact CH2-CB 4.33Å; W168-W178 HydrophobicContact CZ2-CE3 4.21Å; W168-W178 HydrophobicContact CZ3-CB 3.99Å; W168-W178 AromaticContact NE1-CE3 3.81Å; W168-W178 AromaticContact NE1-CZ3 3.79Å |
| 169 | R | 97.6 | Very high | 96.6 | Very high | 67 Ų | 67 | 85.9 Ų | 85.9 | 25% | 0.253 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 156.7 | 177.1 | -65.3 | -166.9 | 175.1 | -153.7 | -3 | 110.2 | A167 I177 H179 Y194 F199 | A167-R169 PolarHBondContact O-N 3.49Å; R169-I177 PolarHBondContact N-O 3.32Å; R169-I177 WeakPolarHBondContact O-CG1 3.46Å; R169-I177 PolarHBondContact O-N 2.91Å; R169-H179 HydrophobicContact CB-CB 4.4Å; R169-H179 HydrophobicContact CG-CB 4.17Å; R169-Y194 PolarHBondContact NH1-OH 2.86Å; R169-Y194 PolarHBondContact NH2-OH 3.22Å; R169-F199 HydrophobicContact CB-CD1 4.03Å; R169-F199 VanDerWaalsContact CD-CD1 3.45Å; R169-F199 HydrophobicContact CG-CD1 4.38Å; R169-F199 VanDerWaalsContact NH1-CE2 3.3Å |
| 170 | R | 96.6 | Very high | 96.6 | Very high | 161 Ų | 161 | 89.5 Ų | 89.5 | 61% | 0.608 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 134.9 | 166.1 | -65.3 | -177.2 | -170.4 | 156.3 | 3.3 | 108.9 | R175 F199 | R170-R175 WeakPolarHBondContact CA-O 3.46Å; R170-F199 CarbonylContact O-C 3.33Å; R170-F199 VanDerWaalsContact O-CA 3.22Å; R170-F199 WeakPolarHBondContact O-CA 3.31Å; R170-F199 VanDerWaalsContact O-O 3.13Å |
| 171 | D | 95.3 | Very high | 96.7 | Very high | 27 Ų | 27 | 87.5 Ų | 87.5 | 14% | 0.144 | 41% | 0.407 | C | S | . | . | trans | -79.2 | -179.6 | 168.6 | 68.1 | 4.3 | 0 | 0 | 0 | 110.9 | F173 G174 R175 I177 | D171-F173 PolarHBondContact O-N 3.34Å; D171-F173 VanDerWaalsContact OD1-CA 3.31Å; D171-F173 WeakPolarHBondContact OD1-CA 3.39Å; D171-F173 WeakPolarHBondContact OD1-CB 3.45Å; D171-F173 PolarHBondContact OD1-N 3.1Å; D171-G174 PolarHBondContact O-N 3.14Å; D171-G174 PolarHBondContact OD1-N 2.92Å; D171-R175 PolarHBondContact N-O 3.11Å; D171-R175 VanDerWaalsContact N-O 3.08Å; D171-R175 PolarHBondContact OD1-N 3.46Å; D171-I177 HydrophobicContact CB-CD1 3.99Å; D171-I177 HydrophobicContact CB-CG1 4.37Å | ||
| 172 | I | 96.3 | Very high | 96.7 | Very high | 56 Ų | 56 | 86.2 Ų | 86.2 | 29% | 0.287 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -25 | 176.6 | -59.4 | 171.7 | 0 | 0 | 0 | 111.1 | G174 R198 | I172-G174 VanDerWaalsContact C-N 3.32Å; I172-R198 HydrophobicContact CD1-CB 4.03Å; I172-R198 HydrophobicContact CG1-CB 3.83Å |
| 173 | F | 96.3 | Very high | 96.7 | Very high | 132 Ų | 132 | 90 Ų | 90 | 58% | 0.579 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 4.4 | 178.5 | -51.6 | -64.9 | 0 | 0 | 0 | 113 | D171 R175 V205 L209 | D171-F173 PolarHBondContact O-N 3.34Å; D171-F173 VanDerWaalsContact OD1-CA 3.31Å; D171-F173 WeakPolarHBondContact OD1-CA 3.39Å; D171-F173 WeakPolarHBondContact OD1-CB 3.45Å; D171-F173 PolarHBondContact OD1-N 3.1Å; F173-R175 HydrophobicContact CB-CG 4.41Å; F173-R175 PolarHBondContact O-N 2.83Å; F173-V205 VanDerWaalsContact C-CG1 3.46Å; F173-V205 WeakPolarHBondContact O-CG1 3.2Å; F173-L209 WeakPolarHBondContact O-CD2 3.39Å |
| 174 | G | 95.1 | Very high | 96.8 | Very high | 12 Ų | 12 | 91.3 Ų | 91.3 | 12% | 0.124 | 41% | 0.412 | C | S | . | . | S | Bend | trans | 74.9 | 7.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | D171 I172 | D171-G174 PolarHBondContact O-N 3.14Å; D171-G174 PolarHBondContact OD1-N 2.92Å; I172-G174 VanDerWaalsContact C-N 3.32Å |
| 175 | R | 96 | Very high | 96.9 | Very high | 120 Ų | 120 | 92.3 Ų | 92.3 | 45% | 0.453 | 43% | 0.432 | S | S | . | . | trans | -81 | 140.1 | 176.7 | -57.5 | 174.8 | 179.7 | 167.7 | 4.7 | 109.7 | R170 D171 F173 I177 L209 E212 | R170-R175 WeakPolarHBondContact CA-O 3.46Å; D171-R175 PolarHBondContact N-O 3.11Å; D171-R175 VanDerWaalsContact N-O 3.08Å; D171-R175 PolarHBondContact OD1-N 3.46Å; F173-R175 HydrophobicContact CB-CG 4.41Å; F173-R175 PolarHBondContact O-N 2.83Å; R175-I177 PolarHBondContact O-N 3.33Å; R175-L209 HydrophobicContact CG-CD2 4.44Å; R175-E212 IonicContact CZ-OE1 3.14Å; R175-E212 IonicContact CZ-OE2 3.53Å; R175-E212 IonicContact NE-OE1 2.66Å; R175-E212 IonicContact NE-OE2 2.88Å; R175-E212 PolarHBondContact NE-OE2 3.45Å; R175-E212 IonicContact NH2-OE1 3.93Å; R175-E212 PolarHBondContact NH2-OE1 2.89Å; R175-E212 IonicContact NH2-OE2 2.64Å | ||
| 176 | I | 97.1 | Very high | 96.9 | Very high | 121 Ų | 121 | 92.3 Ų | 92.3 | 62% | 0.621 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 117.3 | 175.3 | -60.8 | 172.1 | 0 | 0 | 0 | 108.2 | W168 | W168-I176 HydrophobicContact CD2-CG2 4.33Å; W168-I176 HydrophobicContact CE3-CG2 3.54Å; W168-I176 HydrophobicContact CZ3-CG2 4.04Å |
| 177 | I | 97.4 | Very high | 96.9 | Very high | 63 Ų | 63 | 94.8 Ų | 94.8 | 32% | 0.323 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 144.9 | -179.6 | 60.2 | 162.7 | 0 | 0 | 0 | 111.1 | R169 D171 R175 H179 | R169-I177 PolarHBondContact N-O 3.32Å; R169-I177 WeakPolarHBondContact O-CG1 3.46Å; R169-I177 PolarHBondContact O-N 2.91Å; D171-I177 HydrophobicContact CB-CD1 3.99Å; D171-I177 HydrophobicContact CB-CG1 4.37Å; R175-I177 PolarHBondContact O-N 3.33Å; I177-H179 PolarHBondContact O-N 2.9Å |
| 178 | W | 97.6 | Very high | 96.9 | Very high | 76 Ų | 76 | 101 Ų | 101 | 29% | 0.288 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 104.9 | 168.1 | -179.5 | -103.6 | 0 | 0 | 0 | 109.7 | G166 W168 K180 | G166-W178 VanDerWaalsContact CA-CZ2 3.43Å; G166-W178 WeakPolarHBondContact O-CH2 3.22Å; G166-W178 WeakPolarHBondContact O-CZ2 3.22Å; W168-W178 AromaticContact CD1-CE3 3.99Å; W168-W178 AromaticContact CD1-CZ3 3.86Å; W168-W178 AromaticContact CD2-CE3 3.79Å; W168-W178 HydrophobicContact CD2-CE3 3.79Å; W168-W178 HydrophobicContact CD2-CZ3 4.42Å; W168-W178 AromaticContact CE2-CE3 3.7Å; W168-W178 HydrophobicContact CE3-CB 4.22Å; W168-W178 HydrophobicContact CE3-CE3 4.34Å; W168-W178 HydrophobicContact CG-CE3 4Å; W168-W178 HydrophobicContact CG-CZ3 4.25Å; W168-W178 HydrophobicContact CH2-CB 4.33Å; W168-W178 HydrophobicContact CZ2-CE3 4.21Å; W168-W178 HydrophobicContact CZ3-CB 3.99Å; W168-W178 AromaticContact NE1-CE3 3.81Å; W168-W178 AromaticContact NE1-CZ3 3.79Å; W178-K180 PolarHBondContact O-N 3.27Å |
| 179 | H | 97.3 | Very high | 96.9 | Very high | 23 Ų | 23 | 98.2 Ų | 98.2 | 11% | 0.106 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 103.6 | 179.4 | -178.2 | -92.5 | 0 | 0 | 0 | 110.9 | G166 A167 R169 I177 F181 K197 F199 | G166-H179 WeakPolarHBondContact CA-O 3.25Å; A167-H179 PolarHBondContact N-O 3.16Å; A167-H179 VanDerWaalsContact N-O 3.11Å; A167-H179 WeakPolarHBondContact O-CB 3.38Å; A167-H179 PolarHBondContact O-N 3.44Å; R169-H179 HydrophobicContact CB-CB 4.4Å; R169-H179 HydrophobicContact CG-CB 4.17Å; I177-H179 PolarHBondContact O-N 2.9Å; H179-F181 AromaticContact CE1-CD1 3.93Å; H179-F181 AromaticContact ND1-CD1 3.42Å; H179-F181 WeakPolarHBondContact ND1-CD1 3.15Å; H179-F181 AromaticContact ND1-CE1 3.63Å; H179-F181 PolarHBondContact O-N 2.99Å; H179-K197 PolarHBondContact NE2-NZ 3.3Å; H179-F199 AromaticContact CD2-CE1 3.38Å; H179-F199 WeakPolarHBondContact CD2-CE1 3.34Å; H179-F199 AromaticContact CD2-CZ 3.64Å; H179-F199 AromaticContact CE1-CZ 4Å; H179-F199 AromaticContact CG-CE1 3.95Å; H179-F199 AromaticContact NE2-CE1 3.72Å; H179-F199 AromaticContact NE2-CZ 3.44Å; H179-F199 WeakPolarHBondContact NE2-CZ 3.31Å |
| 180 | K | 97.5 | Very high | 96.9 | Very high | 128 Ų | 128 | 100.4 Ų | 100.4 | 56% | 0.557 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 122.1 | 173.8 | -60.2 | -179 | -177.8 | -178.1 | 0 | 110.2 | W178 | W178-K180 PolarHBondContact O-N 3.27Å |
| 181 | F | 97.3 | Very high | 96.9 | Very high | 79 Ų | 79 | 93.2 Ų | 93.2 | 35% | 0.346 | 44% | 0.44 | S | S | . | . | trans | -68.1 | 155.3 | 178.6 | -62 | -25 | 0 | 0 | 0 | 111.6 | R164 P165 A167 H179 | R164-F181 PolarHBondContact NE-O 2.9Å; R164-F181 VanDerWaalsContact NE-O 3.09Å; R164-F181 PolarHBondContact NH2-O 2.85Å; P165-F181 HydrophobicContact CB-CD2 3.73Å; P165-F181 HydrophobicContact CB-CE2 4.42Å; P165-F181 PolarHBondContact O-N 3.42Å; A167-F181 HydrophobicContact CB-CE1 4.13Å; A167-F181 HydrophobicContact CB-CZ 3.71Å; H179-F181 AromaticContact CE1-CD1 3.93Å; H179-F181 AromaticContact ND1-CD1 3.42Å; H179-F181 WeakPolarHBondContact ND1-CD1 3.15Å; H179-F181 AromaticContact ND1-CE1 3.63Å; H179-F181 PolarHBondContact O-N 2.99Å | ||
| 182 | K | 96 | Very high | 97 | Very high | 124 Ų | 124 | 99.8 Ų | 99.8 | 54% | 0.539 | 47% | 0.467 | S | S | . | . | trans | -115.6 | 146.7 | 173.4 | -65.4 | -176 | 66.2 | 167.3 | 0 | 107.4 | W184 | K182-W184 HydrophobicContact CB-CZ2 4.4Å; K182-W184 HydrophobicContact CD-CZ2 4.4Å; K182-W184 PolarHBondContact O-NE1 3.13Å | ||
| 183 | Q | 96.4 | Very high | 97.1 | Very high | 198 Ų | 198 | 103.9 Ų | 103.9 | 93% | 0.925 | 48% | 0.479 | S | S | * | . | trans | -72.8 | 136.7 | 172.2 | -63.9 | 172.6 | 9 | 0 | 0 | 108.8 | ||||
| 184 | W | 96.4 | Very high | 97.1 | Very high | 102 Ų | 102 | 99.4 Ų | 99.4 | 39% | 0.386 | 46% | 0.459 | S | S | . | . | trans | -139.2 | 149.2 | 178 | -59.2 | 96.9 | 0 | 0 | 0 | 108.8 | K182 N191 | K182-W184 HydrophobicContact CB-CZ2 4.4Å; K182-W184 HydrophobicContact CD-CZ2 4.4Å; K182-W184 PolarHBondContact O-NE1 3.13Å; W184-N191 VanDerWaalsContact CD2-ND2 3.31Å; W184-N191 WeakPolarHBondContact CZ3-ND2 3.4Å | ||
| 185 | V | 98.1 | Very high | 97.1 | Very high | 154 Ų | 154 | 102.6 Ų | 102.6 | 93% | 0.933 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -77.7 | -39.5 | 176.9 | -175.6 | 0 | 0 | 0 | 0 | 111.2 | ||
| 186 | I | 97.4 | Very high | 97.2 | Very high | 84 Ų | 84 | 105.2 Ų | 105.2 | 43% | 0.431 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -100.2 | 151.8 | -178.7 | 60.5 | 173.3 | 0 | 0 | 0 | 111.9 | L190 N191 | I186-L190 HydrophobicContact CD1-CB 4.28Å; I186-N191 HydrophobicContact CD1-CB 4.1Å; I186-N191 HydrophobicContact CG1-CB 4.32Å |
| 187 | P | 98.3 | Very high | 97.1 | Very high | 70 Ų | 70 | 104.8 Ų | 104.8 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | trans | -55.2 | 152.6 | 171.1 | -26.4 | 35 | 0 | 0 | 0 | 113.5 | H189 L190 N191 | P187-H189 VanDerWaalsContact C-N 3.31Å; P187-H189 WeakPolarHBondContact CB-CE1 2.99Å; P187-H189 PolarHBondContact O-N 3.03Å; P187-L190 PolarHBondContact O-N 3.06Å; P187-N191 PolarHBondContact O-N 2.72Å | ||
| 188 | W | 97.2 | Very high | 97 | Very high | 160 Ų | 160 | 108.2 Ų | 108.2 | 61% | 0.606 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -62.1 | -34.8 | -172.6 | 68.9 | -93.4 | 0 | 0 | 0 | 113.6 | L190 N191 Y194 N195 | W188-L190 VanDerWaalsContact C-N 3.3Å; W188-L190 PolarHBondContact O-N 3.1Å; W188-N191 WeakPolarHBondContact O-CB 3.34Å; W188-N191 PolarHBondContact O-N 3.31Å; W188-N191 VanDerWaalsContact O-N 3.09Å; W188-Y194 HydrophobicContact CB-CD1 3.77Å; W188-Y194 HydrophobicContact CB-CE1 3.78Å; W188-Y194 HydrophobicContact CB-CG 4.29Å; W188-Y194 HydrophobicContact CD2-CD1 4.48Å; W188-Y194 HydrophobicContact CD2-CE1 4.03Å; W188-Y194 AromaticContact CE3-CD1 3.9Å; W188-Y194 HydrophobicContact CE3-CD1 3.9Å; W188-Y194 AromaticContact CE3-CE1 3.58Å; W188-Y194 HydrophobicContact CE3-CE1 3.58Å; W188-Y194 HydrophobicContact CG-CD1 4.5Å; W188-Y194 HydrophobicContact CG-CE1 4.16Å; W188-Y194 HydrophobicContact CZ3-CE1 4.47Å; W188-N195 PolarHBondContact O-OD1 3.23Å; W188-N195 VanDerWaalsContact O-OD1 3.14Å |
| 189 | H | 96.9 | Very high | 97 | Very high | 105 Ų | 105 | 106.5 Ų | 106.5 | 49% | 0.486 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -70.5 | -24.4 | -177 | 59.7 | -96.1 | 0 | 0 | 0 | 113 | P187 N195 | P187-H189 VanDerWaalsContact C-N 3.31Å; P187-H189 WeakPolarHBondContact CB-CE1 2.99Å; P187-H189 PolarHBondContact O-N 3.03Å; H189-N195 PolarHBondContact O-ND2 3.33Å |
| 190 | L | 97.6 | Very high | 96.9 | Very high | 113 Ų | 113 | 110.9 Ų | 110.9 | 59% | 0.592 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -85.1 | -16.6 | 172.4 | -59.1 | 178.8 | 0 | 0 | 0 | 112.2 | I186 P187 W188 K192 | I186-L190 HydrophobicContact CD1-CB 4.28Å; P187-L190 PolarHBondContact O-N 3.06Å; W188-L190 VanDerWaalsContact C-N 3.3Å; W188-L190 PolarHBondContact O-N 3.1Å; L190-K192 PolarHBondContact O-N 3.13Å; L190-K192 VanDerWaalsContact O-N 3.12Å |
| 191 | N | 98 | Very high | 96.9 | Very high | 11 Ų | 11 | 106.3 Ų | 106.3 | 6% | 0.059 | 48% | 0.484 | C | S | . | . | trans | -81.8 | 98.3 | -172.8 | -175.3 | -18.1 | 0 | 0 | 0 | 111.8 | W184 I186 P187 W188 R193 Y194 N195 | W184-N191 VanDerWaalsContact CD2-ND2 3.31Å; W184-N191 WeakPolarHBondContact CZ3-ND2 3.4Å; I186-N191 HydrophobicContact CD1-CB 4.1Å; I186-N191 HydrophobicContact CG1-CB 4.32Å; P187-N191 PolarHBondContact O-N 2.72Å; W188-N191 WeakPolarHBondContact O-CB 3.34Å; W188-N191 PolarHBondContact O-N 3.31Å; W188-N191 VanDerWaalsContact O-N 3.09Å; N191-R193 PolarHBondContact O-N 2.79Å; N191-R193 VanDerWaalsContact O-N 3.12Å; N191-R193 PolarHBondContact OD1-N 2.94Å; N191-Y194 PolarHBondContact O-N 2.85Å; N191-Y194 PolarHBondContact OD1-N 3.4Å; N191-Y194 VanDerWaalsContact OD1-N 3.1Å; N191-N195 PolarHBondContact O-N 2.99Å; N191-N195 PolarHBondContact O-ND2 3.07Å | ||
| 192 | K | 97.6 | Very high | 96.9 | Very high | 164 Ų | 164 | 106.6 Ų | 106.6 | 71% | 0.713 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -54.2 | -32 | 177.2 | -172.4 | 178.2 | -74.3 | -177.1 | 0 | 113.8 | L190 R196 | L190-K192 PolarHBondContact O-N 3.13Å; L190-K192 VanDerWaalsContact O-N 3.12Å; K192-R196 WeakPolarHBondContact O-CG 3.39Å; K192-R196 PolarHBondContact O-NE 3.08Å |
| 193 | R | 97.4 | Very high | 96.9 | Very high | 143 Ų | 143 | 105.2 Ų | 105.2 | 54% | 0.54 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -75.2 | -39 | 176.9 | -173.7 | 169.8 | 67.2 | 166.6 | 0.4 | 111.7 | N191 | N191-R193 PolarHBondContact O-N 2.79Å; N191-R193 VanDerWaalsContact O-N 3.12Å; N191-R193 PolarHBondContact OD1-N 2.94Å |
| 194 | Y | 96.7 | Very high | 97 | Very high | 38 Ų | 38 | 102.9 Ų | 102.9 | 15% | 0.149 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -67.4 | -47.5 | 176.7 | -179 | -92.5 | 0 | 0 | 0 | 111.5 | R169 W188 N191 R196 K197 F199 | R169-Y194 PolarHBondContact NH1-OH 2.86Å; R169-Y194 PolarHBondContact NH2-OH 3.22Å; W188-Y194 HydrophobicContact CB-CD1 3.77Å; W188-Y194 HydrophobicContact CB-CE1 3.78Å; W188-Y194 HydrophobicContact CB-CG 4.29Å; W188-Y194 HydrophobicContact CD2-CD1 4.48Å; W188-Y194 HydrophobicContact CD2-CE1 4.03Å; W188-Y194 AromaticContact CE3-CD1 3.9Å; W188-Y194 HydrophobicContact CE3-CD1 3.9Å; W188-Y194 AromaticContact CE3-CE1 3.58Å; W188-Y194 HydrophobicContact CE3-CE1 3.58Å; W188-Y194 HydrophobicContact CG-CD1 4.5Å; W188-Y194 HydrophobicContact CG-CE1 4.16Å; W188-Y194 HydrophobicContact CZ3-CE1 4.47Å; N191-Y194 PolarHBondContact O-N 2.85Å; N191-Y194 PolarHBondContact OD1-N 3.4Å; N191-Y194 VanDerWaalsContact OD1-N 3.1Å; Y194-R196 PolarHBondContact O-N 3.08Å; Y194-K197 VanDerWaalsContact O-CB 3.28Å; Y194-K197 WeakPolarHBondContact O-CB 3.44Å; Y194-K197 PolarHBondContact O-N 2.99Å; Y194-F199 HydrophobicContact CE2-CE2 4.1Å |
| 195 | N | 96.1 | Very high | 97 | Very high | 78 Ų | 78 | 98.5 Ų | 98.5 | 42% | 0.417 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.8 | -24.6 | -176.9 | -68 | -24.9 | 0 | 0 | 0 | 113.8 | W188 H189 N191 K197 | W188-N195 PolarHBondContact O-OD1 3.23Å; W188-N195 VanDerWaalsContact O-OD1 3.14Å; H189-N195 PolarHBondContact O-ND2 3.33Å; N191-N195 PolarHBondContact O-N 2.99Å; N191-N195 PolarHBondContact O-ND2 3.07Å; N195-K197 PolarHBondContact O-N 3.32Å |
| 196 | R | 96.4 | Very high | 97 | Very high | 176 Ų | 176 | 95.9 Ų | 95.9 | 66% | 0.664 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -19.5 | 172.2 | -76.4 | -177.7 | -73.4 | 172.9 | -2.2 | 113.3 | K192 Y194 | K192-R196 WeakPolarHBondContact O-CG 3.39Å; K192-R196 PolarHBondContact O-NE 3.08Å; Y194-R196 PolarHBondContact O-N 3.08Å |
| 197 | K | 96.1 | Very high | 97 | Very high | 112 Ų | 112 | 97.3 Ų | 97.3 | 49% | 0.487 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -85.6 | 120.6 | -179.5 | -167.8 | 173.4 | 177.7 | -174.3 | 0 | 109.7 | H179 Y194 N195 F199 | H179-K197 PolarHBondContact NE2-NZ 3.3Å; Y194-K197 VanDerWaalsContact O-CB 3.28Å; Y194-K197 WeakPolarHBondContact O-CB 3.44Å; Y194-K197 PolarHBondContact O-N 2.99Å; N195-K197 PolarHBondContact O-N 3.32Å; K197-F199 HydrophobicContact CB-CE2 4.25Å; K197-F199 HydrophobicContact CD-CE1 4.16Å; K197-F199 HydrophobicContact CD-CE2 4.13Å; K197-F199 HydrophobicContact CD-CZ 3.56Å; K197-F199 HydrophobicContact CG-CE1 4.39Å; K197-F199 HydrophobicContact CG-CE2 4.03Å; K197-F199 HydrophobicContact CG-CZ 3.87Å |
| 198 | R | 95.7 | Very high | 97 | Very high | 135 Ų | 135 | 99.8 Ų | 99.8 | 51% | 0.509 | 45% | 0.449 | S | S | . | . | trans | -91.2 | 135.1 | -179.7 | -68.3 | 171.1 | -74.8 | -179.8 | -1.4 | 110.6 | I172 F200 | I172-R198 HydrophobicContact CD1-CB 4.03Å; I172-R198 HydrophobicContact CG1-CB 3.83Å; R198-F200 HydrophobicContact CB-CD1 4.36Å; R198-F200 HydrophobicContact CB-CE1 4.05Å; R198-F200 HydrophobicContact CB-CZ 4.4Å; R198-F200 HydrophobicContact CG-CE1 3.92Å; R198-F200 HydrophobicContact CG-CZ 4.05Å | ||
| 199 | F | 96.3 | Very high | 97 | Very high | 39 Ų | 39 | 94.3 Ų | 94.3 | 17% | 0.171 | 43% | 0.432 | C | S | . | . | trans | -121 | 34.7 | 178.5 | -65.5 | -75.7 | 0 | 0 | 0 | 111.8 | R169 R170 H179 Y194 K197 | R169-F199 HydrophobicContact CB-CD1 4.03Å; R169-F199 VanDerWaalsContact CD-CD1 3.45Å; R169-F199 HydrophobicContact CG-CD1 4.38Å; R169-F199 VanDerWaalsContact NH1-CE2 3.3Å; R170-F199 CarbonylContact O-C 3.33Å; R170-F199 VanDerWaalsContact O-CA 3.22Å; R170-F199 WeakPolarHBondContact O-CA 3.31Å; R170-F199 VanDerWaalsContact O-O 3.13Å; H179-F199 AromaticContact CD2-CE1 3.38Å; H179-F199 WeakPolarHBondContact CD2-CE1 3.34Å; H179-F199 AromaticContact CD2-CZ 3.64Å; H179-F199 AromaticContact CE1-CZ 4Å; H179-F199 AromaticContact CG-CE1 3.95Å; H179-F199 AromaticContact NE2-CE1 3.72Å; H179-F199 AromaticContact NE2-CZ 3.44Å; H179-F199 WeakPolarHBondContact NE2-CZ 3.31Å; Y194-F199 HydrophobicContact CE2-CE2 4.1Å; K197-F199 HydrophobicContact CB-CE2 4.25Å; K197-F199 HydrophobicContact CD-CE1 4.16Å; K197-F199 HydrophobicContact CD-CE2 4.13Å; K197-F199 HydrophobicContact CD-CZ 3.56Å; K197-F199 HydrophobicContact CG-CE1 4.39Å; K197-F199 HydrophobicContact CG-CE2 4.03Å; K197-F199 HydrophobicContact CG-CZ 3.87Å | ||
| 200 | F | 95.5 | Very high | 97.1 | Very high | 116 Ų | 116 | 97 Ų | 97 | 51% | 0.509 | 44% | 0.438 | S | S | . | . | trans | -141.2 | 147.6 | 175.9 | 60.7 | -92.1 | 0 | 0 | 0 | 108.5 | R198 M202 | R198-F200 HydrophobicContact CB-CD1 4.36Å; R198-F200 HydrophobicContact CB-CE1 4.05Å; R198-F200 HydrophobicContact CB-CZ 4.4Å; R198-F200 HydrophobicContact CG-CE1 3.92Å; R198-F200 HydrophobicContact CG-CZ 4.05Å; F200-M202 HydrophobicContact CD2-SD 4.24Å; F200-M202 HydrophobicContact CE2-SD 3.95Å | ||
| 201 | A | 96.8 | Very high | 97.1 | Very high | 31 Ų | 31 | 95.2 Ų | 95.2 | 26% | 0.256 | 43% | 0.428 | S | S | . | . | trans | -104.3 | 146.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109 | V205 | A201-V205 HydrophobicContact CB-CB 4.47Å; A201-V205 HydrophobicContact CB-CG2 4.48Å | ||
| 202 | M | 97.1 | Very high | 97.1 | Very high | 86 Ų | 86 | 97.7 Ų | 97.7 | 42% | 0.424 | 44% | 0.439 | S | S | . | . | trans | -87.5 | 156.2 | 176.2 | -66.5 | -64 | -68.8 | 0 | 0 | 110.3 | F200 Y204 V205 | F200-M202 HydrophobicContact CD2-SD 4.24Å; F200-M202 HydrophobicContact CE2-SD 3.95Å; M202-Y204 HydrophobicContact CB-CD1 3.48Å; M202-Y204 VanDerWaalsContact CB-CD1 3.48Å; M202-Y204 HydrophobicContact CB-CE1 3.12Å; M202-Y204 HydrophobicContact CB-CE2 4.3Å; M202-Y204 HydrophobicContact CB-CG 4.21Å; M202-Y204 HydrophobicContact CG-CD1 4.35Å; M202-Y204 HydrophobicContact CG-CE1 3.58Å; M202-Y204 PolarHBondContact O-N 2.7Å; M202-Y204 VanDerWaalsContact O-N 3.08Å; M202-V205 VanDerWaalsContact O-CB 3.31Å; M202-V205 WeakPolarHBondContact O-CB 3.38Å; M202-V205 WeakPolarHBondContact O-CG2 3.14Å; M202-V205 PolarHBondContact O-N 3.46Å | ||
| 203 | P | 97.9 | Very high | 97.1 | Very high | 95 Ų | 95 | 98.8 Ų | 98.8 | 62% | 0.617 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -57 | -28 | -176.9 | -27.7 | 35.9 | 0 | 0 | 0 | 115.1 | V205 D206 | P203-V205 PolarHBondContact O-N 3.09Å; P203-D206 WeakPolarHBondContact O-CB 3.39Å; P203-D206 PolarHBondContact O-N 3.03Å; P203-D206 VanDerWaalsContact O-N 3.09Å |
| 204 | Y | 96.9 | Very high | 97.2 | Very high | 148 Ų | 148 | 94.4 Ų | 94.4 | 58% | 0.58 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -62.5 | -14.2 | 177.1 | 62.5 | -110.6 | 0 | 0 | 0 | 113.6 | M202 | M202-Y204 HydrophobicContact CB-CD1 3.48Å; M202-Y204 VanDerWaalsContact CB-CD1 3.48Å; M202-Y204 HydrophobicContact CB-CE1 3.12Å; M202-Y204 HydrophobicContact CB-CE2 4.3Å; M202-Y204 HydrophobicContact CB-CG 4.21Å; M202-Y204 HydrophobicContact CG-CD1 4.35Å; M202-Y204 HydrophobicContact CG-CE1 3.58Å; M202-Y204 PolarHBondContact O-N 2.7Å; M202-Y204 VanDerWaalsContact O-N 3.08Å |
| 205 | V | 97.7 | Very high | 97.3 | Very high | 11 Ų | 11 | 99.2 Ų | 99.2 | 7% | 0.067 | 45% | 0.446 | C | S | . | . | G | 310 helix | trans | -80.2 | -20 | 179 | -176.2 | 0 | 0 | 0 | 0 | 111.9 | F173 A201 M202 P203 H207 F208 L209 | F173-V205 VanDerWaalsContact C-CG1 3.46Å; F173-V205 WeakPolarHBondContact O-CG1 3.2Å; A201-V205 HydrophobicContact CB-CB 4.47Å; A201-V205 HydrophobicContact CB-CG2 4.48Å; M202-V205 VanDerWaalsContact O-CB 3.31Å; M202-V205 WeakPolarHBondContact O-CB 3.38Å; M202-V205 WeakPolarHBondContact O-CG2 3.14Å; M202-V205 PolarHBondContact O-N 3.46Å; P203-V205 PolarHBondContact O-N 3.09Å; V205-H207 VanDerWaalsContact C-N 3.3Å; V205-H207 PolarHBondContact O-N 3.03Å; V205-F208 WeakPolarHBondContact O-CB 3.5Å; V205-F208 PolarHBondContact O-N 2.88Å; V205-L209 HydrophobicContact CG1-CD1 4.41Å; V205-L209 HydrophobicContact CG1-CG 4.18Å; V205-L209 PolarHBondContact O-N 3.45Å |
| 206 | D | 97.3 | Very high | 97.4 | Very high | 98 Ų | 98 | 103.2 Ų | 103.2 | 52% | 0.524 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.4 | -35.9 | -173 | -67.6 | -17.9 | 0 | 0 | 0 | 112.9 | P203 F208 L209 R210 | P203-D206 WeakPolarHBondContact O-CB 3.39Å; P203-D206 PolarHBondContact O-N 3.03Å; P203-D206 VanDerWaalsContact O-N 3.09Å; D206-F208 VanDerWaalsContact C-N 3.33Å; D206-F208 PolarHBondContact O-N 2.97Å; D206-L209 PolarHBondContact O-N 3.33Å; D206-R210 PolarHBondContact O-N 3.36Å |
| 207 | H | 98.1 | Very high | 97.5 | Very high | 114 Ų | 114 | 97.5 Ų | 97.5 | 53% | 0.528 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 174.6 | -178.5 | 70.4 | 0 | 0 | 0 | 111.6 | V205 R210 L211 | V205-H207 VanDerWaalsContact C-N 3.3Å; V205-H207 PolarHBondContact O-N 3.03Å; H207-R210 WeakPolarHBondContact O-CB 3.43Å; H207-R210 PolarHBondContact O-N 3.26Å; H207-L211 WeakPolarHBondContact NE2-CD1 3.44Å; H207-L211 WeakPolarHBondContact O-CG 3.41Å; H207-L211 PolarHBondContact O-N 3.06Å |
| 208 | F | 98 | Very high | 97.6 | Very high | 123 Ų | 123 | 98.8 Ų | 98.8 | 54% | 0.539 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.3 | -39.2 | 178.6 | -62.9 | -74.7 | 0 | 0 | 0 | 112 | V205 D206 R210 L211 E212 | V205-F208 WeakPolarHBondContact O-CB 3.5Å; V205-F208 PolarHBondContact O-N 2.88Å; D206-F208 VanDerWaalsContact C-N 3.33Å; D206-F208 PolarHBondContact O-N 2.97Å; F208-R210 VanDerWaalsContact C-N 3.29Å; F208-R210 PolarHBondContact O-N 3.21Å; F208-L211 PolarHBondContact O-N 3.4Å; F208-E212 WeakPolarHBondContact O-CG 3.42Å; F208-E212 PolarHBondContact O-N 3.47Å |
| 209 | L | 97.2 | Very high | 97.8 | Very high | 45 Ų | 45 | 96.4 Ų | 96.4 | 24% | 0.236 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -60.2 | -40.4 | 174.1 | -68.9 | 175.5 | 0 | 0 | 0 | 111.9 | F173 R175 V205 D206 E212 R213 | F173-L209 WeakPolarHBondContact O-CD2 3.39Å; R175-L209 HydrophobicContact CG-CD2 4.44Å; V205-L209 HydrophobicContact CG1-CD1 4.41Å; V205-L209 HydrophobicContact CG1-CG 4.18Å; V205-L209 PolarHBondContact O-N 3.45Å; D206-L209 PolarHBondContact O-N 3.33Å; L209-E212 PolarHBondContact O-N 2.96Å; L209-R213 WeakPolarHBondContact O-CB 3.44Å; L209-R213 PolarHBondContact O-N 3.26Å |
| 210 | R | 98.3 | Very high | 97.9 | Very high | 162 Ų | 162 | 100.9 Ų | 100.9 | 61% | 0.611 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.4 | -50.2 | 173.3 | 177.1 | -178 | 169.5 | 173.6 | -0.1 | 111 | D206 H207 F208 E212 R213 E214 | D206-R210 PolarHBondContact O-N 3.36Å; H207-R210 WeakPolarHBondContact O-CB 3.43Å; H207-R210 PolarHBondContact O-N 3.26Å; F208-R210 VanDerWaalsContact C-N 3.29Å; F208-R210 PolarHBondContact O-N 3.21Å; R210-E212 VanDerWaalsContact C-N 3.31Å; R210-E212 PolarHBondContact O-N 3.37Å; R210-R213 WeakPolarHBondContact O-CB 3.41Å; R210-R213 PolarHBondContact O-N 3.46Å; R210-R213 VanDerWaalsContact O-N 3.1Å; R210-E214 HydrophobicContact CG-CG 4.42Å; R210-E214 IonicContact CZ-OE1 3.22Å; R210-E214 IonicContact NE-OE1 3.99Å; R210-E214 PolarHBondContact NE-OE1 3Å; R210-E214 IonicContact NH2-OE1 3.34Å; R210-E214 PolarHBondContact NH2-OE1 3.31Å; R210-E214 WeakPolarHBondContact O-CG 3.42Å; R210-E214 PolarHBondContact O-N 2.94Å |
| 211 | L | 98.5 | Very high | 98 | Very high | 74 Ų | 74 | 98 Ų | 98 | 39% | 0.387 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.2 | -41.2 | 178.5 | -69.6 | 179.6 | 0 | 0 | 0 | 112.2 | H207 F208 E214 K215 | H207-L211 WeakPolarHBondContact NE2-CD1 3.44Å; H207-L211 WeakPolarHBondContact O-CG 3.41Å; H207-L211 PolarHBondContact O-N 3.06Å; F208-L211 PolarHBondContact O-N 3.4Å; L211-E214 PolarHBondContact O-N 3.45Å; L211-K215 WeakPolarHBondContact O-CB 3.33Å; L211-K215 PolarHBondContact O-N 3.42Å |
| 212 | E | 98.1 | Very high | 98.1 | Very high | 64 Ų | 64 | 104.8 Ų | 104.8 | 30% | 0.299 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 174.8 | -74.4 | -175.9 | 178 | 0 | 0 | 112.4 | R175 F208 L209 R210 R216 | R175-E212 IonicContact CZ-OE1 3.14Å; R175-E212 IonicContact CZ-OE2 3.53Å; R175-E212 IonicContact NE-OE1 2.66Å; R175-E212 IonicContact NE-OE2 2.88Å; R175-E212 PolarHBondContact NE-OE2 3.45Å; R175-E212 IonicContact NH2-OE1 3.93Å; R175-E212 PolarHBondContact NH2-OE1 2.89Å; R175-E212 IonicContact NH2-OE2 2.64Å; F208-E212 WeakPolarHBondContact O-CG 3.42Å; F208-E212 PolarHBondContact O-N 3.47Å; L209-E212 PolarHBondContact O-N 2.96Å; R210-E212 VanDerWaalsContact C-N 3.31Å; R210-E212 PolarHBondContact O-N 3.37Å; E212-R216 WeakPolarHBondContact O-CG 3.33Å; E212-R216 PolarHBondContact O-N 2.89Å; E212-R216 PolarHBondContact O-NE 3.48Å |
| 213 | R | 98.2 | Very high | 98.2 | Very high | 186 Ų | 186 | 107 Ų | 107 | 70% | 0.702 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.5 | -47.7 | 175.1 | -176.8 | -179.7 | 178.7 | -179.2 | -0.6 | 111.1 | L209 R210 K215 R216 A217 | L209-R213 WeakPolarHBondContact O-CB 3.44Å; L209-R213 PolarHBondContact O-N 3.26Å; R210-R213 WeakPolarHBondContact O-CB 3.41Å; R210-R213 PolarHBondContact O-N 3.46Å; R210-R213 VanDerWaalsContact O-N 3.1Å; R213-K215 VanDerWaalsContact C-N 3.34Å; R213-K215 PolarHBondContact O-N 2.88Å; R213-R216 PolarHBondContact O-N 3.1Å; R213-A217 PolarHBondContact O-N 3.07Å |
| 214 | E | 98.4 | Very high | 98.2 | Very high | 52 Ų | 52 | 105.8 Ų | 105.8 | 24% | 0.243 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 177.4 | -69.3 | 179 | -170 | 0 | 0 | 111.6 | R210 L211 R216 A217 R218 | R210-E214 HydrophobicContact CG-CG 4.42Å; R210-E214 IonicContact CZ-OE1 3.22Å; R210-E214 IonicContact NE-OE1 3.99Å; R210-E214 PolarHBondContact NE-OE1 3Å; R210-E214 IonicContact NH2-OE1 3.34Å; R210-E214 PolarHBondContact NH2-OE1 3.31Å; R210-E214 WeakPolarHBondContact O-CG 3.42Å; R210-E214 PolarHBondContact O-N 2.94Å; L211-E214 PolarHBondContact O-N 3.45Å; E214-R216 PolarHBondContact O-N 3.3Å; E214-A217 WeakPolarHBondContact O-CB 3.46Å; E214-A217 PolarHBondContact O-N 3.21Å; E214-R218 WeakPolarHBondContact O-CG 3.43Å; E214-R218 PolarHBondContact O-N 2.88Å; E214-R218 IonicContact OE2-CZ 3.78Å; E214-R218 IonicContact OE2-NH1 3.79Å; E214-R218 IonicContact OE2-NH2 3.59Å; E214-R218 PolarHBondContact OE2-NH2 2.83Å |
| 215 | K | 98.7 | Very high | 98.3 | Very high | 138 Ų | 138 | 103 Ų | 103 | 60% | 0.6 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -58.4 | -46.6 | 175.1 | -175.9 | 177.3 | -179.4 | 177.6 | 0 | 111.5 | L211 R213 R218 I219 | L211-K215 WeakPolarHBondContact O-CB 3.33Å; L211-K215 PolarHBondContact O-N 3.42Å; R213-K215 VanDerWaalsContact C-N 3.34Å; R213-K215 PolarHBondContact O-N 2.88Å; K215-R218 PolarHBondContact O-N 3.16Å; K215-I219 HydrophobicContact CG-CD1 4.17Å; K215-I219 WeakPolarHBondContact O-CG1 3.44Å; K215-I219 PolarHBondContact O-N 2.9Å |
| 216 | R | 98.6 | Very high | 98.3 | Very high | 162 Ų | 162 | 107 Ų | 107 | 61% | 0.611 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62 | -41.3 | 175.6 | -75 | -178.6 | -73 | 174.1 | -3.7 | 112.1 | E212 R213 E214 I219 K220 | E212-R216 WeakPolarHBondContact O-CG 3.33Å; E212-R216 PolarHBondContact O-N 2.89Å; E212-R216 PolarHBondContact O-NE 3.48Å; R213-R216 PolarHBondContact O-N 3.1Å; E214-R216 PolarHBondContact O-N 3.3Å; R216-I219 PolarHBondContact O-N 2.91Å; R216-K220 WeakPolarHBondContact O-CB 3.44Å; R216-K220 PolarHBondContact O-N 3.32Å |
| 217 | A | 98.5 | Very high | 98.4 | Very high | 56 Ų | 56 | 107 Ų | 107 | 46% | 0.463 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R213 E214 I219 K220 A221 | R213-A217 PolarHBondContact O-N 3.07Å; E214-A217 WeakPolarHBondContact O-CB 3.46Å; E214-A217 PolarHBondContact O-N 3.21Å; A217-I219 PolarHBondContact O-N 2.95Å; A217-K220 PolarHBondContact O-N 3.37Å; A217-A221 WeakPolarHBondContact O-CB 2.82Å; A217-A221 PolarHBondContact O-N 3.04Å |
| 218 | R | 98.7 | Very high | 98.3 | Very high | 140 Ų | 140 | 110 Ų | 110 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 175.3 | -67.5 | 178.9 | -166 | 102.9 | 5.6 | 112.3 | E214 K215 R222 | E214-R218 WeakPolarHBondContact O-CG 3.43Å; E214-R218 PolarHBondContact O-N 2.88Å; E214-R218 IonicContact OE2-CZ 3.78Å; E214-R218 IonicContact OE2-NH1 3.79Å; E214-R218 IonicContact OE2-NH2 3.59Å; E214-R218 PolarHBondContact OE2-NH2 2.83Å; K215-R218 PolarHBondContact O-N 3.16Å; R218-R222 WeakPolarHBondContact O-CG 3.49Å; R218-R222 PolarHBondContact O-N 3.43Å; R218-R222 VanDerWaalsContact O-N 3.11Å |
| 219 | I | 98.7 | Very high | 98.3 | Very high | 84 Ų | 84 | 110.1 Ų | 110.1 | 43% | 0.431 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 175.8 | -66.8 | 164.7 | 0 | 0 | 0 | 110.3 | K215 R216 A217 R222 K223 | K215-I219 HydrophobicContact CG-CD1 4.17Å; K215-I219 WeakPolarHBondContact O-CG1 3.44Å; K215-I219 PolarHBondContact O-N 2.9Å; R216-I219 PolarHBondContact O-N 2.91Å; A217-I219 PolarHBondContact O-N 2.95Å; I219-R222 PolarHBondContact O-N 2.92Å; I219-K223 PolarHBondContact O-N 3.49Å |
| 220 | K | 98.7 | Very high | 98.3 | Very high | 133 Ų | 133 | 114.5 Ų | 114.5 | 58% | 0.578 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.4 | -48.3 | 177.6 | -178.4 | 174.8 | 172 | 177.5 | 0 | 111.7 | R216 A217 R222 K223 E224 | R216-K220 WeakPolarHBondContact O-CB 3.44Å; R216-K220 PolarHBondContact O-N 3.32Å; A217-K220 PolarHBondContact O-N 3.37Å; K220-R222 VanDerWaalsContact C-N 3.33Å; K220-R222 PolarHBondContact O-N 3.04Å; K220-K223 WeakPolarHBondContact O-CB 3.48Å; K220-K223 PolarHBondContact O-N 3.11Å; K220-K223 VanDerWaalsContact O-N 3.16Å; K220-E224 WeakPolarHBondContact CE-OE1 3.37Å; K220-E224 WeakPolarHBondContact CG-OE1 3.27Å; K220-E224 IonicContact NZ-OE1 3.53Å; K220-E224 WeakPolarHBondContact O-CG 2.87Å; K220-E224 PolarHBondContact O-N 3.35Å |
| 221 | A | 98.6 | Very high | 98.2 | Very high | 55 Ų | 55 | 109.2 Ų | 109.2 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A217 N225 | A217-A221 WeakPolarHBondContact O-CB 2.82Å; A217-A221 PolarHBondContact O-N 3.04Å; A221-N225 WeakPolarHBondContact O-CB 3.39Å; A221-N225 PolarHBondContact O-N 2.98Å |
| 222 | R | 98.5 | Very high | 98.1 | Very high | 175 Ų | 175 | 112.1 Ų | 112.1 | 66% | 0.66 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.6 | -42 | 175.4 | -73.4 | -173.4 | -66.2 | -176.2 | 2.3 | 112.1 | R218 I219 K220 N225 L226 | R218-R222 WeakPolarHBondContact O-CG 3.49Å; R218-R222 PolarHBondContact O-N 3.43Å; R218-R222 VanDerWaalsContact O-N 3.11Å; I219-R222 PolarHBondContact O-N 2.92Å; K220-R222 VanDerWaalsContact C-N 3.33Å; K220-R222 PolarHBondContact O-N 3.04Å; R222-N225 PolarHBondContact O-N 3.41Å; R222-L226 WeakPolarHBondContact O-CB 3.42Å; R222-L226 PolarHBondContact O-N 3.34Å |
| 223 | K | 98.7 | Very high | 98 | Very high | 132 Ų | 132 | 113.4 Ų | 113.4 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.9 | -50.2 | 176.3 | -179.5 | -179.5 | 169.6 | -179.8 | 0 | 111.2 | I219 K220 N225 L226 E227 | I219-K223 PolarHBondContact O-N 3.49Å; K220-K223 WeakPolarHBondContact O-CB 3.48Å; K220-K223 PolarHBondContact O-N 3.11Å; K220-K223 VanDerWaalsContact O-N 3.16Å; K223-N225 PolarHBondContact O-N 2.88Å; K223-L226 PolarHBondContact O-N 3.26Å; K223-E227 WeakPolarHBondContact CE-OE1 3.33Å; K223-E227 IonicContact NZ-OE1 2.91Å; K223-E227 WeakPolarHBondContact O-CG 3.46Å; K223-E227 PolarHBondContact O-N 2.94Å |
| 224 | E | 98.4 | Very high | 97.9 | Very high | 69 Ų | 69 | 108.6 Ų | 108.6 | 32% | 0.322 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 179.4 | -71 | 173.9 | -176.3 | 0 | 0 | 112.2 | K220 E227 R228 | K220-E224 WeakPolarHBondContact CE-OE1 3.37Å; K220-E224 WeakPolarHBondContact CG-OE1 3.27Å; K220-E224 IonicContact NZ-OE1 3.53Å; K220-E224 WeakPolarHBondContact O-CG 2.87Å; K220-E224 PolarHBondContact O-N 3.35Å; E224-E227 PolarHBondContact O-N 2.97Å; E224-R228 VanDerWaalsContact O-CG 3.27Å; E224-R228 WeakPolarHBondContact O-CG 3.44Å; E224-R228 PolarHBondContact O-N 3.43Å |
| 225 | N | 98.6 | Very high | 97.7 | Very high | 90 Ų | 90 | 109 Ų | 109 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 175.9 | -169.1 | -26.1 | 0 | 0 | 0 | 111 | A221 R222 K223 E227 R228 K229 | A221-N225 WeakPolarHBondContact O-CB 3.39Å; A221-N225 PolarHBondContact O-N 2.98Å; R222-N225 PolarHBondContact O-N 3.41Å; K223-N225 PolarHBondContact O-N 2.88Å; N225-E227 PolarHBondContact O-N 3.45Å; N225-R228 PolarHBondContact O-N 3.27Å; N225-K229 WeakPolarHBondContact O-CB 3.43Å; N225-K229 WeakPolarHBondContact O-CG 3.41Å; N225-K229 PolarHBondContact O-N 2.81Å; N225-K229 WeakPolarHBondContact OD1-CG 3.49Å |
| 226 | L | 98.6 | Very high | 97.4 | Very high | 94 Ų | 94 | 110 Ų | 110 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 177.6 | -176.7 | 145.7 | 0 | 0 | 0 | 112.1 | R222 K223 K229 K230 | R222-L226 WeakPolarHBondContact O-CB 3.42Å; R222-L226 PolarHBondContact O-N 3.34Å; K223-L226 PolarHBondContact O-N 3.26Å; L226-K229 PolarHBondContact O-N 3.41Å; L226-K230 HydrophobicContact CD2-CD 3.82Å; L226-K230 HydrophobicContact CD2-CG 4.29Å; L226-K230 WeakPolarHBondContact O-CB 3.34Å; L226-K230 WeakPolarHBondContact O-CG 3.34Å; L226-K230 PolarHBondContact O-N 2.98Å |
| 227 | E | 97.9 | Very high | 97.2 | Very high | 98 Ų | 98 | 109.5 Ų | 109.5 | 46% | 0.458 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 174.9 | -73.3 | 169.3 | -179.3 | 0 | 0 | 111.6 | K223 E224 N225 K229 K230 A231 | K223-E227 WeakPolarHBondContact CE-OE1 3.33Å; K223-E227 IonicContact NZ-OE1 2.91Å; K223-E227 WeakPolarHBondContact O-CG 3.46Å; K223-E227 PolarHBondContact O-N 2.94Å; E224-E227 PolarHBondContact O-N 2.97Å; N225-E227 PolarHBondContact O-N 3.45Å; E227-K229 VanDerWaalsContact C-N 3.34Å; E227-K229 PolarHBondContact O-N 3.34Å; E227-K230 PolarHBondContact O-N 2.87Å; E227-A231 WeakPolarHBondContact O-CB 3.4Å; E227-A231 PolarHBondContact O-N 3.2Å |
| 228 | R | 97.3 | Very high | 97.1 | Very high | 177 Ų | 177 | 111.4 Ų | 111.4 | 67% | 0.668 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.6 | -41.5 | 175.4 | -70.1 | 173 | -172.4 | -179.9 | 4.5 | 112.2 | E224 N225 A231 K232 | E224-R228 VanDerWaalsContact O-CG 3.27Å; E224-R228 WeakPolarHBondContact O-CG 3.44Å; E224-R228 PolarHBondContact O-N 3.43Å; N225-R228 PolarHBondContact O-N 3.27Å; R228-A231 PolarHBondContact O-N 3.3Å; R228-K232 WeakPolarHBondContact O-CB 3.44Å; R228-K232 PolarHBondContact O-N 3.46Å |
| 229 | K | 97.9 | Very high | 96.7 | Very high | 126 Ų | 126 | 108.5 Ų | 108.5 | 55% | 0.548 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 176.8 | -70.7 | -77.8 | -177.5 | 172.3 | 0 | 110.9 | N225 L226 E227 K232 I233 | N225-K229 WeakPolarHBondContact O-CB 3.43Å; N225-K229 WeakPolarHBondContact O-CG 3.41Å; N225-K229 PolarHBondContact O-N 2.81Å; N225-K229 WeakPolarHBondContact OD1-CG 3.49Å; L226-K229 PolarHBondContact O-N 3.41Å; E227-K229 VanDerWaalsContact C-N 3.34Å; E227-K229 PolarHBondContact O-N 3.34Å; K229-K232 PolarHBondContact O-N 2.84Å; K229-I233 VanDerWaalsContact O-CG1 3.25Å; K229-I233 WeakPolarHBondContact O-CG1 3.43Å; K229-I233 PolarHBondContact O-N 3.28Å |
| 230 | K | 97.6 | Very high | 96.4 | Very high | 138 Ų | 138 | 109.5 Ų | 109.5 | 60% | 0.6 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.6 | -46.3 | 174.9 | -78.2 | -172.5 | 172.8 | -176.4 | 0 | 111.6 | L226 E227 K232 I233 L234 | L226-K230 HydrophobicContact CD2-CD 3.82Å; L226-K230 HydrophobicContact CD2-CG 4.29Å; L226-K230 WeakPolarHBondContact O-CB 3.34Å; L226-K230 WeakPolarHBondContact O-CG 3.34Å; L226-K230 PolarHBondContact O-N 2.98Å; E227-K230 PolarHBondContact O-N 2.87Å; K230-K232 PolarHBondContact O-N 3.26Å; K230-I233 PolarHBondContact O-N 2.93Å; K230-L234 WeakPolarHBondContact O-CB 3.25Å; K230-L234 PolarHBondContact O-N 3.48Å |
| 231 | A | 95.1 | Very high | 95.9 | Very high | 50 Ų | 50 | 106.1 Ų | 106.1 | 41% | 0.413 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E227 R228 I233 L234 L235 | E227-A231 WeakPolarHBondContact O-CB 3.4Å; E227-A231 PolarHBondContact O-N 3.2Å; R228-A231 PolarHBondContact O-N 3.3Å; A231-I233 VanDerWaalsContact C-N 3.33Å; A231-I233 PolarHBondContact O-N 3.4Å; A231-L234 WeakPolarHBondContact O-CB 3.39Å; A231-L234 PolarHBondContact O-N 2.95Å; A231-L234 VanDerWaalsContact O-N 3.15Å; A231-L235 WeakPolarHBondContact O-CG 3.35Å; A231-L235 PolarHBondContact O-N 3.15Å |
| 232 | K | 95.6 | Very high | 94.9 | Very high | 135 Ų | 135 | 104.9 Ų | 104.9 | 59% | 0.587 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.9 | -39.5 | 176.6 | -170.3 | 171.4 | -174.5 | 171 | 0 | 112.4 | R228 K229 K230 K236 | R228-K232 WeakPolarHBondContact O-CB 3.44Å; R228-K232 PolarHBondContact O-N 3.46Å; K229-K232 PolarHBondContact O-N 2.84Å; K230-K232 PolarHBondContact O-N 3.26Å; K232-K236 WeakPolarHBondContact O-CG 3.21Å; K232-K236 PolarHBondContact O-N 2.99Å |
| 233 | I | 96.5 | Very high | 93.9 | Very high | 92 Ų | 92 | 102.9 Ų | 102.9 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.5 | -38 | 175.4 | -66.3 | 163.6 | 0 | 0 | 0 | 110.6 | K229 K230 A231 K236 K237 | K229-I233 VanDerWaalsContact O-CG1 3.25Å; K229-I233 WeakPolarHBondContact O-CG1 3.43Å; K229-I233 PolarHBondContact O-N 3.28Å; K230-I233 PolarHBondContact O-N 2.93Å; A231-I233 VanDerWaalsContact C-N 3.33Å; A231-I233 PolarHBondContact O-N 3.4Å; I233-K236 PolarHBondContact O-N 3.18Å; I233-K237 PolarHBondContact O-N 2.85Å |
| 234 | L | 95.8 | Very high | 92.8 | Very high | 84 Ų | 84 | 99.1 Ų | 99.1 | 44% | 0.44 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 177.9 | -171 | 70.7 | 0 | 0 | 0 | 111.6 | K230 A231 K236 K237 F238 L241 | K230-L234 WeakPolarHBondContact O-CB 3.25Å; K230-L234 PolarHBondContact O-N 3.48Å; A231-L234 WeakPolarHBondContact O-CB 3.39Å; A231-L234 PolarHBondContact O-N 2.95Å; A231-L234 VanDerWaalsContact O-N 3.15Å; L234-K236 VanDerWaalsContact C-N 3.27Å; L234-K236 PolarHBondContact O-N 3.37Å; L234-K237 PolarHBondContact O-N 2.92Å; L234-K237 VanDerWaalsContact O-N 3.08Å; L234-F238 HydrophobicContact CD1-CD2 3.65Å; L234-F238 HydrophobicContact CD1-CE2 3.85Å; L234-F238 HydrophobicContact CG-CD2 4.24Å; L234-F238 PolarHBondContact O-N 3.38Å; L234-L241 HydrophobicContact CD2-CD1 4.27Å; L234-L241 HydrophobicContact CG-CD1 4.22Å |
| 235 | L | 94.1 | Very high | 91.6 | Very high | 60 Ų | 60 | 101.3 Ų | 101.3 | 31% | 0.314 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -33.2 | 176.6 | -67.6 | 176.6 | 0 | 0 | 0 | 112.7 | A231 K237 F238 P239 L241 A242 | A231-L235 WeakPolarHBondContact O-CG 3.35Å; A231-L235 PolarHBondContact O-N 3.15Å; L235-K237 VanDerWaalsContact C-N 3.34Å; L235-F238 CarbonylContact O-C 3.48Å; L235-P239 WeakPolarHBondContact O-CA 3.41Å; L235-L241 HydrophobicContact CD2-CB 3.94Å; L235-A242 HydrophobicContact CD2-CB 4.25Å |
| 236 | K | 93 | Very high | 90.4 | Very high | 160 Ų | 160 | 104.3 Ų | 104.3 | 70% | 0.696 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66 | -35.9 | 173.7 | -74.9 | 179.7 | 175.5 | -162.1 | 0 | 112.7 | K232 I233 L234 | K232-K236 WeakPolarHBondContact O-CG 3.21Å; K232-K236 PolarHBondContact O-N 2.99Å; I233-K236 PolarHBondContact O-N 3.18Å; L234-K236 VanDerWaalsContact C-N 3.27Å; L234-K236 PolarHBondContact O-N 3.37Å |
| 237 | K | 94.9 | Very high | 89 | Confident | 151 Ų | 151 | 103.9 Ų | 103.9 | 66% | 0.657 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -78.9 | -35.6 | 178.2 | -68.6 | -176.7 | 177.9 | -168.3 | 0 | 112 | I233 L234 L235 | I233-K237 PolarHBondContact O-N 2.85Å; L234-K237 PolarHBondContact O-N 2.92Å; L234-K237 VanDerWaalsContact O-N 3.08Å; L235-K237 VanDerWaalsContact C-N 3.34Å |
| 238 | F | 95.3 | Very high | 87.5 | Confident | 97 Ų | 97 | 103.3 Ų | 103.3 | 43% | 0.425 | 52% | 0.516 | S | S | . | . | trans | -126.8 | 80.1 | -175.7 | -57.6 | -68.8 | 0 | 0 | 0 | 110.1 | L234 L235 H240 L241 | L234-F238 HydrophobicContact CD1-CD2 3.65Å; L234-F238 HydrophobicContact CD1-CE2 3.85Å; L234-F238 HydrophobicContact CG-CD2 4.24Å; L234-F238 PolarHBondContact O-N 3.38Å; L235-F238 CarbonylContact O-C 3.48Å; F238-H240 VanDerWaalsContact C-N 3.31Å; F238-H240 AromaticContact CD1-CE1 3.85Å; F238-H240 PolarHBondContact O-N 3.3Å; F238-L241 HydrophobicContact CB-CD1 3.64Å; F238-L241 HydrophobicContact CB-CG 3.84Å; F238-L241 HydrophobicContact CD2-CD1 4.49Å; F238-L241 HydrophobicContact CG-CD1 4.4Å; F238-L241 WeakPolarHBondContact O-CB 3.47Å; F238-L241 PolarHBondContact O-N 3.05Å | ||
| 239 | P | 91.8 | Very high | 85.9 | Confident | 78 Ų | 78 | 102.3 Ų | 102.3 | 51% | 0.506 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -27.7 | -174.1 | 26.2 | -34.2 | 0 | 0 | 0 | 113.3 | L235 L241 A242 | L235-P239 WeakPolarHBondContact O-CA 3.41Å; P239-L241 PolarHBondContact O-N 3.2Å; P239-L241 VanDerWaalsContact O-N 3.16Å; P239-A242 VanDerWaalsContact O-CB 3.27Å; P239-A242 WeakPolarHBondContact O-CB 3.47Å; P239-A242 PolarHBondContact O-N 3.36Å |
| 240 | H | 91.6 | Very high | 83.7 | Confident | 106 Ų | 106 | 105 Ų | 105 | 49% | 0.491 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.1 | -23.5 | 174.9 | 62.7 | -96.7 | 0 | 0 | 0 | 113.1 | F238 A242 E243 A244 | F238-H240 VanDerWaalsContact C-N 3.31Å; F238-H240 AromaticContact CD1-CE1 3.85Å; F238-H240 PolarHBondContact O-N 3.3Å; H240-A242 VanDerWaalsContact C-N 3.25Å; H240-A242 PolarHBondContact O-N 3.05Å; H240-E243 PolarHBondContact O-N 3.42Å; H240-A244 PolarHBondContact O-N 2.92Å |
| 241 | L | 87.8 | Confident | 83 | Confident | 62 Ų | 62 | 103.4 Ų | 103.4 | 33% | 0.325 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.9 | -28.6 | 173.2 | -61.7 | 179.7 | 0 | 0 | 0 | 112 | L234 L235 F238 P239 Q245 | L234-L241 HydrophobicContact CD2-CD1 4.27Å; L234-L241 HydrophobicContact CG-CD1 4.22Å; L235-L241 HydrophobicContact CD2-CB 3.94Å; F238-L241 HydrophobicContact CB-CD1 3.64Å; F238-L241 HydrophobicContact CB-CG 3.84Å; F238-L241 HydrophobicContact CD2-CD1 4.49Å; F238-L241 HydrophobicContact CG-CD1 4.4Å; F238-L241 WeakPolarHBondContact O-CB 3.47Å; F238-L241 PolarHBondContact O-N 3.05Å; P239-L241 PolarHBondContact O-N 3.2Å; P239-L241 VanDerWaalsContact O-N 3.16Å; L241-Q245 WeakPolarHBondContact O-CG 3.27Å; L241-Q245 PolarHBondContact O-N 3.27Å |
| 242 | A | 78.2 | Confident | 82.3 | Confident | 29 Ų | 29 | 106.2 Ų | 106.2 | 24% | 0.24 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -74.2 | -30.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L235 P239 H240 K246 | L235-A242 HydrophobicContact CD2-CB 4.25Å; P239-A242 VanDerWaalsContact O-CB 3.27Å; P239-A242 WeakPolarHBondContact O-CB 3.47Å; P239-A242 PolarHBondContact O-N 3.36Å; H240-A242 VanDerWaalsContact C-N 3.25Å; H240-A242 PolarHBondContact O-N 3.05Å; A242-K246 WeakPolarHBondContact O-CG 3.33Å; A242-K246 PolarHBondContact O-N 3.22Å |
| 243 | E | 77.3 | Confident | 81.6 | Confident | 132 Ų | 132 | 104.6 Ų | 104.6 | 62% | 0.617 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -72.9 | -44.2 | 176.3 | -66.6 | 167.2 | -173.7 | 0 | 0 | 110.9 | H240 Q245 K246 S247 | H240-E243 PolarHBondContact O-N 3.42Å; E243-Q245 VanDerWaalsContact C-N 3.29Å; E243-Q245 PolarHBondContact O-N 3.16Å; E243-K246 PolarHBondContact O-N 3.38Å; E243-S247 PolarHBondContact O-N 3.35Å; E243-S247 PolarHBondContact O-OG 3.34Å |
| 244 | A | 75.2 | Confident | 80.7 | Confident | 54 Ų | 54 | 105.3 Ų | 105.3 | 45% | 0.446 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.6 | -32.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | H240 S247 S248 | H240-A244 PolarHBondContact O-N 2.92Å; A244-S247 WeakPolarHBondContact CA-OG 3.39Å; A244-S247 PolarHBondContact O-OG 3.27Å; A244-S248 PolarHBondContact O-N 3.08Å; A244-S248 PolarHBondContact O-OG 2.87Å |
| 245 | Q | 73.1 | Confident | 79.8 | Confident | 115 Ų | 115 | 106.6 Ų | 106.6 | 54% | 0.537 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71 | -30.3 | 172.5 | -78.5 | -178.8 | -6.1 | 0 | 0 | 112.9 | L241 E243 S248 L249 | L241-Q245 WeakPolarHBondContact O-CG 3.27Å; L241-Q245 PolarHBondContact O-N 3.27Å; E243-Q245 VanDerWaalsContact C-N 3.29Å; E243-Q245 PolarHBondContact O-N 3.16Å; Q245-S248 PolarHBondContact O-OG 3.19Å; Q245-L249 WeakPolarHBondContact O-CD1 3.36Å; Q245-L249 WeakPolarHBondContact O-CG 3.42Å |
| 246 | K | 73.4 | Confident | 78.8 | Confident | 153 Ų | 153 | 109.7 Ų | 109.7 | 67% | 0.665 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -77.9 | -37 | 177.2 | -72.7 | 171.5 | -178.4 | -179.3 | 0 | 112 | A242 E243 S248 | A242-K246 WeakPolarHBondContact O-CG 3.33Å; A242-K246 PolarHBondContact O-N 3.22Å; E243-K246 PolarHBondContact O-N 3.38Å; K246-S248 VanDerWaalsContact C-N 3.33Å |
| 247 | S | 70.6 | Confident | 77.8 | Confident | 84 Ų | 84 | 106.1 Ų | 106.1 | 59% | 0.587 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -74.6 | -18.5 | 179.3 | 60.3 | 0 | 0 | 0 | 0 | 114.4 | E243 A244 | E243-S247 PolarHBondContact O-N 3.35Å; E243-S247 PolarHBondContact O-OG 3.34Å; A244-S247 WeakPolarHBondContact CA-OG 3.39Å; A244-S247 PolarHBondContact O-OG 3.27Å |
| 248 | S | 66.3 | Low | 76.5 | Confident | 87 Ų | 87 | 102.7 Ų | 102.7 | 61% | 0.608 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -7 | 177.1 | 46.4 | 0 | 0 | 0 | 0 | 114.5 | A244 Q245 K246 | A244-S248 PolarHBondContact O-N 3.08Å; A244-S248 PolarHBondContact O-OG 2.87Å; Q245-S248 PolarHBondContact O-OG 3.19Å; K246-S248 VanDerWaalsContact C-N 3.33Å |
| 249 | L | 63.2 | Low | 74.9 | Confident | 155 Ų | 155 | 103.2 Ų | 103.2 | 81% | 0.812 | 58% | 0.579 | S | S | * | * | trans | -99.3 | -1.9 | 177.1 | -73 | 169.5 | 0 | 0 | 0 | 113.2 | Q245 | Q245-L249 WeakPolarHBondContact O-CD1 3.36Å; Q245-L249 WeakPolarHBondContact O-CG 3.42Å | ||
| 250 | V | 50.9 | Low | 73.4 | Confident | 183 Ų | 183 | 105.5 Ų | 105.5 | 100% | 1.109 | 59% | 0.585 | S | S | * | * | trans | -100.7 | 0 | 172 | -179.9 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 250 of 250 residues in 626.4 ms
(Link to these results)