| 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 | 42.1 | Very low | 31.7 | Very low | 243 Ų | 243 | 144.5 Ų | 144.5 | 100% | 1.197 | 87% | 0.871 | S | S | * | * | 0 | 90.7 | 0 | -76.4 | 176.4 | 171.9 | 0 | 0 | 108.8 | |||||
| 2 | V | 31.5 | Very low | 31.4 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 88% | 0.879 | 86% | 0.859 | S | S | * | * | trans | -152.8 | 120.5 | 149.9 | -175.5 | 0 | 0 | 0 | 0 | 105 | ||||
| 3 | A | 30.4 | Very low | 31.2 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 77% | 0.769 | 85% | 0.854 | S | S | * | * | trans | -88.7 | 126.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 4 | E | 30 | Very low | 31.1 | Very low | 190 Ų | 190 | 140.7 Ų | 140.7 | 89% | 0.888 | 86% | 0.857 | S | S | * | * | trans | -84.5 | 129.6 | 169.3 | -81.7 | -177.6 | 150 | 0 | 0 | 110.3 | ||||
| 5 | V | 32.7 | Very low | 31 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 79% | 0.788 | 86% | 0.856 | S | S | * | * | trans | -82.9 | 113.8 | 175.8 | 176.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 6 | C | 29 | Very low | 30.9 | Very low | 130 Ų | 130 | 147 Ų | 147 | 88% | 0.878 | 85% | 0.853 | S | S | * | * | trans | -97.9 | 104.9 | 168.3 | -93.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 7 | S | 30.5 | Very low | 30.9 | Very low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 137.2 | 169.1 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | ||
| 8 | M | 32.6 | Very low | 30.6 | Very low | 181 Ų | 181 | 148.2 Ų | 148.2 | 89% | 0.892 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 144.4 | 170.9 | -62.9 | -155.4 | 115.5 | 0 | 0 | 111.8 | ||
| 9 | P | 30.4 | Very low | 30.6 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 135 | 166.2 | 30.4 | -25 | 0 | 0 | 0 | 112 | ||
| 10 | T | 28.4 | Very low | 30.6 | Very low | 137 Ų | 137 | 147.2 Ų | 147.2 | 84% | 0.84 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 146.3 | 176.6 | 42.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 11 | A | 31 | Very low | 30.6 | Very low | 105 Ų | 105 | 151.7 Ų | 151.7 | 87% | 0.868 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 135.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 12 | S | 28.7 | Very low | 30 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | -158.9 | 148.7 | 149.2 | 68.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 13 | T | 28 | Very low | 29.9 | Very low | 130 Ų | 130 | 147.5 Ų | 147.5 | 80% | 0.798 | 82% | 0.819 | S | S | * | * | trans | 90.6 | 64 | 166.1 | 73 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 14 | V | 30.9 | Very low | 30 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | -84.1 | 115.7 | 148.6 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | K16 | V14-K16 PolarHBondContact O-N 3.24Š| ||
| 15 | K | 29 | Very low | 29.8 | Very low | 193 Ų | 193 | 143.7 Ų | 143.7 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 125.4 | 175.9 | -71.4 | 174.7 | 176.3 | 174.4 | 0 | 110.2 | ||
| 16 | K | 29.9 | Very low | 29.7 | Very low | 189 Ų | 189 | 147 Ų | 147 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 130.4 | 165.6 | -69.6 | 177.6 | 177.4 | 177.6 | 0 | 109.2 | V14 | V14-K16 PolarHBondContact O-N 3.24Š|
| 17 | P | 29.8 | Very low | 29.8 | Very low | 130 Ų | 130 | 149.3 Ų | 149.3 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 136.9 | 160.5 | 13.5 | 0.6 | 0 | 0 | 0 | 109.4 | ||
| 18 | F | 26.9 | Very low | 29.6 | Very low | 185 Ų | 185 | 149.6 Ų | 149.6 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 153.5 | -169.5 | -87 | -102.6 | 0 | 0 | 0 | 116.3 | ||
| 19 | D | 29.3 | Very low | 29.2 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | trans | 7.5 | 101.9 | 150.7 | -74.2 | -48.2 | 0 | 0 | 0 | 119.3 | ||||
| 20 | L | 31 | Very low | 28.9 | Very low | 146 Ų | 146 | 151.3 Ų | 151.3 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -98.3 | 3.1 | 160.5 | -91.6 | 157.6 | 0 | 0 | 0 | 113.4 | S22 | L20-S22 VanDerWaalsContact C-N 3.34Å; L20-S22 PolarHBondContact O-N 3.39Å | ||
| 21 | R | 29.8 | Very low | 28.6 | Very low | 242 Ų | 242 | 154.3 Ų | 154.3 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -3.5 | -171.2 | -140.1 | 177.5 | -166.2 | -158.7 | 3.1 | 115.6 | ||
| 22 | S | 29.5 | Very low | 28.2 | Very low | 105 Ų | 105 | 157.7 Ų | 157.7 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | 6.2 | -172.7 | 67.5 | 0 | 0 | 0 | 0 | 116.6 | L20 | L20-S22 VanDerWaalsContact C-N 3.34Å; L20-S22 PolarHBondContact O-N 3.39Å |
| 23 | K | 29.9 | Very low | 28.2 | Very low | 195 Ų | 195 | 158.3 Ų | 158.3 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -127.6 | 14.1 | -178.5 | -87.2 | -175.3 | 178.6 | 175.8 | 0 | 117.6 | ||
| 24 | M | 31.9 | Very low | 28 | Very low | 121 Ų | 121 | 157.3 Ų | 157.3 | 60% | 0.596 | 79% | 0.788 | S | S | * | * | trans | -109.2 | 27.2 | 177.8 | -70 | 178.6 | 81.6 | 0 | 0 | 114.9 | K26 W27 | M24-K26 PolarHBondContact O-N 3.41Å; M24-W27 HydrophobicContact CE-CD2 4.45Å; M24-W27 HydrophobicContact CE-CZ2 4.24Å | ||
| 25 | G | 27.6 | Very low | 27.8 | Very low | 83 Ų | 83 | 157 Ų | 157 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -73.2 | 25.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 26 | K | 30.2 | Very low | 27.7 | Very low | 198 Ų | 198 | 159.1 Ų | 159.1 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -145.4 | 49.1 | 178.6 | -69.2 | -170.5 | -179.6 | -179.4 | 0 | 112.9 | M24 | M24-K26 PolarHBondContact O-N 3.41Š| ||
| 27 | W | 31.1 | Very low | 27.5 | Very low | 179 Ų | 179 | 154 Ų | 154 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | -117.7 | 71.8 | 171 | -75.4 | 72.9 | 0 | 0 | 0 | 110.1 | M24 L253 | M24-W27 HydrophobicContact CE-CD2 4.45Å; M24-W27 HydrophobicContact CE-CZ2 4.24Å; W27-L253 HydrophobicContact CH2-CD1 3.78Å | ||
| 28 | C | 25.9 | Very low | 27.4 | Very low | 115 Ų | 115 | 153.7 Ų | 153.7 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | -162.8 | 113.9 | 158.1 | -91.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 29 | H | 24.2 | Very low | 27.4 | Very low | 171 Ų | 171 | 148.7 Ų | 148.7 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | 167.9 | 139.2 | 127.7 | -91 | -63.9 | 0 | 0 | 0 | 112.5 | |||||
| 30 | H | 23.9 | Very low | 27.4 | Very low | 172 Ų | 172 | 152.7 Ų | 152.7 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | 84.4 | 127.4 | 169.1 | -57.4 | -62.7 | 0 | 0 | 0 | 116.2 | ||||
| 31 | R | 22.8 | Very low | 27.2 | Very low | 200 Ų | 200 | 151.8 Ų | 151.8 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | cis | -168.8 | 141.1 | 8.5 | -155.4 | 177.1 | -163.2 | -137.7 | 5.2 | 109 | ||||
| 32 | F | 22.8 | Very low | 27 | Very low | 177 Ų | 177 | 147.2 Ų | 147.2 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | 162.4 | 152.2 | 131.2 | -89.4 | -60.8 | 0 | 0 | 0 | 110.9 | ||||
| 33 | P | 27.3 | Very low | 26.9 | Very low | 117 Ų | 117 | 150.8 Ų | 150.8 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | trans | -103.3 | 161.1 | -131 | 9.4 | 14.2 | 0 | 0 | 0 | 113.8 | ||||
| 34 | C | 24.1 | Very low | 26.6 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | trans | -51.1 | 138.2 | 173.6 | -60.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 35 | C | 25.9 | Very low | 26.2 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | trans | -115.9 | 91.6 | 137.8 | -70.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 36 | R | 27.5 | Very low | 26.4 | Very low | 238 Ų | 238 | 147.1 Ų | 147.1 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | -84 | 111.4 | 160.8 | -88 | -174.8 | 173.2 | -158 | -0.8 | 107.3 | ||||
| 37 | G | 26.1 | Very low | 26.2 | Very low | 82 Ų | 82 | 141.1 Ų | 141.1 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | -96.1 | 108.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 38 | S | 28.5 | Very low | 26.4 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | trans | -84.3 | 132.7 | 168.7 | 50.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 39 | G | 25.7 | Very low | 26.6 | Very low | 80 Ų | 80 | 143.3 Ų | 143.3 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -174.5 | 106 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 40 | K | 28.7 | Very low | 27.2 | Very low | 213 Ų | 213 | 142.1 Ų | 142.1 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | trans | -94.2 | 134 | 166.4 | -74.1 | -179.8 | 175.4 | 179 | 0 | 108.5 | ||||
| 41 | S | 27.3 | Very low | 28.1 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | trans | -175.5 | 156 | 135.4 | 52.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 42 | N | 25.4 | Very low | 28.9 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | trans | -79.2 | 158.3 | -163.8 | -93.7 | -13.8 | 0 | 0 | 0 | 116.9 | ||||
| 43 | M | 27.7 | Very low | 29.5 | Very low | 179 Ų | 179 | 131.6 Ų | 131.6 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | 52.9 | 128.9 | 141.9 | -60.2 | -66.4 | -177.2 | 0 | 0 | 122 | ||||
| 44 | G | 23.3 | Very low | 29.9 | Very low | 65 Ų | 65 | 131.4 Ų | 131.4 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | trans | 124.5 | 110 | 137.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 45 | T | 25.4 | Very low | 30.5 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | trans | 62.3 | 120.4 | 142.8 | 59.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 46 | S | 30.3 | Very low | 30.8 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | 34.9 | 132.3 | 136.5 | 63.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 47 | G | 26.3 | Very low | 31 | Very low | 72 Ų | 72 | 123 Ų | 123 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | trans | 144.8 | 117.4 | 151.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | H49 | G47-H49 PolarHBondContact O-N 3.35Š| ||
| 48 | D | 35.8 | Very low | 31.4 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -47.9 | 124.8 | 170.3 | -60.6 | -61.5 | 0 | 0 | 0 | 112.3 | ||||
| 49 | H | 30.2 | Very low | 31.7 | Very low | 187 Ų | 187 | 125.6 Ų | 125.6 | 87% | 0.866 | 71% | 0.709 | S | S | * | * | trans | -170.8 | 101.3 | 152.1 | -84.2 | -44.4 | 0 | 0 | 0 | 110.5 | G47 | G47-H49 PolarHBondContact O-N 3.35Š| ||
| 50 | D | 36.6 | Very low | 32 | Very low | 147 Ų | 147 | 128.8 Ų | 128.8 | 79% | 0.786 | 70% | 0.7 | S | S | * | * | trans | -147.9 | 38.7 | 167.6 | -107 | -19 | 0 | 0 | 0 | 113.2 | ||||
| 51 | D | 42.3 | Very low | 32.2 | Very low | 101 Ų | 101 | 125.8 Ų | 125.8 | 54% | 0.54 | 69% | 0.692 | S | S | . | * | S | Bend | trans | -108.6 | -4.8 | 175 | -160.3 | 39.5 | 0 | 0 | 0 | 113.9 | K55 | D51-K55 WeakPolarHBondContact O-CD 3.22Å; D51-K55 IonicContact OD2-NZ 2.72Å; D51-K55 PolarHBondContact OD2-NZ 3.07Å |
| 52 | S | 39.1 | Very low | 32.7 | Very low | 103 Ų | 103 | 121.9 Ų | 121.9 | 72% | 0.72 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -89.7 | -34.4 | 179.9 | 101.3 | 0 | 0 | 0 | 0 | 113 | K55 M56 | S52-K55 PolarHBondContact O-N 3.1Å; S52-M56 PolarHBondContact O-N 2.87Å; S52-M56 VanDerWaalsContact O-N 3.14Å |
| 53 | F | 36.8 | Very low | 33.1 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 54% | 0.544 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -70.7 | -40.2 | -179.1 | -166.5 | -101.9 | 0 | 0 | 0 | 112.3 | K55 M56 L57 | F53-K55 PolarHBondContact O-N 2.7Å; F53-M56 PolarHBondContact O-N 3.45Å; F53-L57 HydrophobicContact CD1-CD1 3.81Å; F53-L57 HydrophobicContact CE1-CD1 3.56Å; F53-L57 HydrophobicContact CZ-CD1 4.34Å; F53-L57 PolarHBondContact O-N 3.29Å; F53-L57 VanDerWaalsContact O-N 3.15Å |
| 54 | M | 35.6 | Very low | 33.1 | Very low | 113 Ų | 113 | 119.7 Ų | 119.7 | 56% | 0.557 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -70.6 | -27.9 | 176.2 | -73.9 | -64.5 | -166.9 | 0 | 0 | 113.3 | R58 | M54-R58 PolarHBondContact O-N 3.25Å |
| 55 | K | 35.4 | Very low | 33.5 | Very low | 129 Ų | 129 | 122.1 Ų | 122.1 | 56% | 0.561 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -72.2 | -35.6 | 171.5 | -84.1 | 173.4 | 177.1 | 147.6 | 0 | 112.2 | D51 S52 F53 S59 | D51-K55 WeakPolarHBondContact O-CD 3.22Å; D51-K55 IonicContact OD2-NZ 2.72Å; D51-K55 PolarHBondContact OD2-NZ 3.07Å; S52-K55 PolarHBondContact O-N 3.1Å; F53-K55 PolarHBondContact O-N 2.7Å; K55-S59 WeakPolarHBondContact O-CB 3.48Å; K55-S59 PolarHBondContact O-N 3.27Å |
| 56 | M | 33 | Very low | 33.7 | Very low | 102 Ų | 102 | 125.6 Ų | 125.6 | 50% | 0.502 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -67.9 | -37.5 | 174.9 | -166.5 | 176.4 | 78.6 | 0 | 0 | 112.4 | S52 F53 S59 K60 | S52-M56 PolarHBondContact O-N 2.87Å; S52-M56 VanDerWaalsContact O-N 3.14Å; F53-M56 PolarHBondContact O-N 3.45Å; M56-S59 PolarHBondContact O-N 3.46Å; M56-K60 PolarHBondContact O-N 3.29Å; M56-K60 VanDerWaalsContact O-N 3.11Å |
| 57 | L | 31.4 | Very low | 33.7 | Very low | 77 Ų | 77 | 128.7 Ų | 128.7 | 40% | 0.403 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -68 | -40.6 | 175.7 | -88.2 | 157.1 | 0 | 0 | 0 | 112.7 | F53 K60 M61 | F53-L57 HydrophobicContact CD1-CD1 3.81Å; F53-L57 HydrophobicContact CE1-CD1 3.56Å; F53-L57 HydrophobicContact CZ-CD1 4.34Å; F53-L57 PolarHBondContact O-N 3.29Å; F53-L57 VanDerWaalsContact O-N 3.15Å; L57-K60 PolarHBondContact O-N 3.42Å; L57-M61 PolarHBondContact O-N 3.02Å |
| 58 | R | 33.6 | Very low | 33.8 | Very low | 197 Ų | 197 | 130.6 Ų | 130.6 | 74% | 0.743 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -65 | -37.5 | 172.8 | -102.7 | -179.1 | -107.4 | -126.5 | -0.5 | 113 | M54 G62 | M54-R58 PolarHBondContact O-N 3.25Å; R58-G62 PolarHBondContact O-N 3.01Å |
| 59 | S | 35.2 | Very low | 33.4 | Very low | 65 Ų | 65 | 132.2 Ų | 132.2 | 46% | 0.455 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -66.3 | -35.2 | 176.3 | 167.7 | 0 | 0 | 0 | 0 | 113.3 | K55 M56 | K55-S59 WeakPolarHBondContact O-CB 3.48Å; K55-S59 PolarHBondContact O-N 3.27Å; M56-S59 PolarHBondContact O-N 3.46Å |
| 60 | K | 32.9 | Very low | 33.3 | Very low | 146 Ų | 146 | 128.6 Ų | 128.6 | 64% | 0.635 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -81.8 | -30 | 177 | -86.2 | 178.8 | 173.6 | 176.4 | 0 | 113.8 | M56 L57 | M56-K60 PolarHBondContact O-N 3.29Å; M56-K60 VanDerWaalsContact O-N 3.11Å; L57-K60 PolarHBondContact O-N 3.42Å |
| 61 | M | 33.6 | Very low | 32.8 | Very low | 151 Ų | 151 | 127.4 Ų | 127.4 | 74% | 0.744 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73.9 | -26 | 170.2 | -79.8 | -178 | 169.9 | 0 | 0 | 113 | L57 K63 | L57-M61 PolarHBondContact O-N 3.02Å; M61-K63 VanDerWaalsContact C-N 3.29Å; M61-K63 PolarHBondContact O-N 3.39Å |
| 62 | G | 35.8 | Very low | 32.2 | Very low | 46 Ų | 46 | 128.9 Ų | 128.9 | 47% | 0.474 | 68% | 0.68 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76 | -4.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | R58 | R58-G62 PolarHBondContact O-N 3.01Š|
| 63 | K | 34.9 | Very low | 31.7 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 70% | 0.704 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -10.4 | 179.7 | -73.9 | -180 | -179.8 | 179.4 | 0 | 114.6 | M61 | M61-K63 VanDerWaalsContact C-N 3.29Å; M61-K63 PolarHBondContact O-N 3.39Å |
| 64 | C | 28.3 | Very low | 31.2 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -8.9 | 175.2 | -79.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 65 | C | 30.1 | Very low | 30.9 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 78% | 0.777 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 24.4 | 176.4 | -73.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 66 | R | 29.7 | Very low | 30.5 | Very low | 209 Ų | 209 | 132.7 Ų | 132.7 | 79% | 0.789 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -118 | 29.7 | -178.7 | -72.1 | -164.2 | -173.4 | -139.2 | 2 | 114.9 | ||
| 67 | H | 31.1 | Very low | 30.3 | Very low | 186 Ų | 186 | 134.7 Ų | 134.7 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -136.7 | 11.6 | 176.6 | -102.6 | 63.6 | 0 | 0 | 0 | 116.1 | ||
| 68 | C | 28.8 | Very low | 30.2 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -131 | 115.8 | 168.5 | -62.9 | 0 | 0 | 0 | 0 | 109.7 | ||
| 69 | F | 26.3 | Very low | 30 | Very low | 187 Ų | 187 | 135 Ų | 135 | 82% | 0.82 | 78% | 0.778 | S | S | * | * | trans | 92.7 | 103.1 | 176.1 | -67 | -81 | 0 | 0 | 0 | 118.5 | ||||
| 70 | P | 29 | Very low | 29.6 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | trans | -78.7 | 161.8 | 152.9 | 33.6 | -27.3 | 0 | 0 | 0 | 110.5 | ||||
| 71 | C | 26.3 | Very low | 29.3 | Very low | 121 Ų | 121 | 135 Ų | 135 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | 84.8 | 84.7 | 172.7 | -59.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 72 | C | 29.3 | Very low | 29.1 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 90% | 0.899 | 81% | 0.805 | S | S | * | * | -173.9 | 92.9 | 109 | -94.4 | 0 | 0 | 0 | 0 | 108.7 | G74 | C72-G74 PolarHBondContact O-N 3.5Š| |||
| 73 | R | 27.6 | Very low | 28.8 | Very low | 264 Ų | 264 | 138 Ų | 138 | 100% | 0.996 | 82% | 0.823 | S | S | * | * | trans | -68.4 | 121.3 | 160.7 | -85.6 | -177.7 | 171.1 | -165.3 | -1.7 | 107.6 | ||||
| 74 | G | 27.1 | Very low | 28.4 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | -146.7 | 95.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | C72 | C72-G74 PolarHBondContact O-N 3.5Š| ||
| 75 | S | 30.2 | Very low | 29 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | trans | -68.4 | 132.3 | 174.9 | 46.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 76 | G | 27.2 | Very low | 29.1 | Very low | 79 Ų | 79 | 139.4 Ų | 139.4 | 81% | 0.814 | 84% | 0.835 | S | S | * | * | trans | -174.7 | 93.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 77 | T | 28.2 | Very low | 29.3 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | trans | -76.7 | 129.9 | 166 | 46.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 78 | S | 28.4 | Very low | 29.7 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -168.2 | 133.4 | 142.5 | 38.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 79 | N | 29.2 | Very low | 30.3 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -67.6 | 150.4 | 159.4 | -80.3 | -25.1 | 0 | 0 | 0 | 109.6 | ||||
| 80 | V | 28.2 | Very low | 30.7 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | 160.2 | 131 | 130.3 | 166.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 81 | G | 25.3 | Very low | 31.1 | Very low | 68 Ų | 68 | 131 Ų | 131 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | 70.5 | 125.1 | 128.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 82 | T | 31.2 | Very low | 31.7 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | trans | -23.3 | 151.3 | 159.4 | 50.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 83 | S | 27.8 | Very low | 32 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | 94 | 139.4 | 147.2 | 78.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 84 | G | 27.7 | Very low | 32.3 | Very low | 75 Ų | 75 | 121 Ų | 121 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | trans | 117.7 | 100.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | H86 | G84-H86 PolarHBondContact O-N 3.19Š| ||
| 85 | D | 39.5 | Very low | 32.7 | Very low | 158 Ų | 158 | 126 Ų | 126 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | trans | -59.4 | 122.6 | 162.2 | -69.2 | -51.4 | 0 | 0 | 0 | 111 | ||||
| 86 | H | 32.6 | Very low | 33.1 | Very low | 192 Ų | 192 | 123.2 Ų | 123.2 | 89% | 0.889 | 72% | 0.716 | S | S | * | * | trans | -158.7 | 97.2 | 150.2 | -86.9 | -57.4 | 0 | 0 | 0 | 109.5 | G84 N88 | G84-H86 PolarHBondContact O-N 3.19Å; H86-N88 PolarHBondContact O-N 2.75Å; H86-N88 VanDerWaalsContact O-N 3.15Å | ||
| 87 | E | 35.2 | Very low | 33.4 | Very low | 145 Ų | 145 | 126.4 Ų | 126.4 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | trans | -67.3 | 108.3 | 166.8 | -79.9 | -159.2 | 147.5 | 0 | 0 | 109.9 | S89 K92 | E87-S89 PolarHBondContact O-N 3.02Å; E87-K92 WeakPolarHBondContact OE2-CE 3.45Å; E87-K92 IonicContact OE2-NZ 3.41Å; E87-K92 PolarHBondContact OE2-NZ 3.14Å | ||
| 88 | N | 38.9 | Very low | 33.6 | Very low | 127 Ų | 127 | 126 Ų | 126 | 68% | 0.679 | 70% | 0.697 | S | S | * | * | trans | -73.6 | 124.1 | 176.6 | -128.6 | -17 | 0 | 0 | 0 | 110.4 | H86 F90 M91 | H86-N88 PolarHBondContact O-N 2.75Å; H86-N88 VanDerWaalsContact O-N 3.15Å; N88-F90 PolarHBondContact O-N 3.02Å; N88-M91 PolarHBondContact O-N 3.2Å | ||
| 89 | S | 40.4 | Very low | 33.8 | Very low | 91 Ų | 91 | 122.9 Ų | 122.9 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -51.7 | -24.2 | -177.2 | -176.4 | 0 | 0 | 0 | 0 | 114.3 | E87 M91 K92 M93 | E87-S89 PolarHBondContact O-N 3.02Å; S89-M91 PolarHBondContact O-N 3.2Å; S89-K92 PolarHBondContact O-N 3.46Å; S89-M93 PolarHBondContact O-N 2.85Å |
| 90 | F | 35.7 | Very low | 34.2 | Very low | 144 Ų | 144 | 123.7 Ų | 123.7 | 63% | 0.632 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -64.3 | -36.5 | 174.3 | -167.5 | -106.1 | 0 | 0 | 0 | 113.7 | N88 M93 L94 | N88-F90 PolarHBondContact O-N 3.02Å; F90-M93 PolarHBondContact O-N 3.33Å; F90-L94 HydrophobicContact CD1-CD1 3.72Å; F90-L94 HydrophobicContact CE1-CD1 3.41Å; F90-L94 VanDerWaalsContact CE1-CD1 3.41Å; F90-L94 HydrophobicContact CE1-CG 4.46Å; F90-L94 HydrophobicContact CZ-CD1 4.07Å; F90-L94 PolarHBondContact O-N 2.99Å; F90-L94 VanDerWaalsContact O-N 3.12Å |
| 91 | M | 36.7 | Very low | 34.1 | Very low | 121 Ų | 121 | 128 Ų | 128 | 60% | 0.596 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -73.8 | -27.7 | 178.5 | -78.1 | -65.8 | -146.4 | 0 | 0 | 112.8 | N88 S89 R95 | N88-M91 PolarHBondContact O-N 3.2Å; S89-M91 PolarHBondContact O-N 3.2Å; M91-R95 WeakPolarHBondContact O-CB 3.45Å; M91-R95 PolarHBondContact O-N 3.49Å |
| 92 | K | 39.6 | Very low | 34.3 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 57% | 0.574 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -70.2 | -38.3 | 171.7 | -100.6 | 171.1 | 169.8 | 141.4 | 0 | 111.5 | E87 S89 R95 S96 | E87-K92 WeakPolarHBondContact OE2-CE 3.45Å; E87-K92 IonicContact OE2-NZ 3.41Å; E87-K92 PolarHBondContact OE2-NZ 3.14Å; S89-K92 PolarHBondContact O-N 3.46Å; K92-R95 PolarHBondContact O-N 3.06Å; K92-S96 PolarHBondContact O-N 2.99Å |
| 93 | M | 35.4 | Very low | 34.5 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 51% | 0.512 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -67.1 | -43.3 | 176.8 | -165.4 | -175.3 | -60.4 | 0 | 0 | 112.1 | S89 F90 S96 K97 | S89-M93 PolarHBondContact O-N 2.85Å; F90-M93 PolarHBondContact O-N 3.33Å; M93-S96 PolarHBondContact O-N 3.28Å; M93-S96 PolarHBondContact O-OG 3.06Å; M93-K97 PolarHBondContact O-N 3.38Å; M93-K97 VanDerWaalsContact O-N 3.09Å |
| 94 | L | 33.4 | Very low | 34.8 | Very low | 74 Ų | 74 | 131.5 Ų | 131.5 | 39% | 0.387 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -64.8 | -38.5 | 174.9 | -83.3 | 162.7 | 0 | 0 | 0 | 112.4 | F90 K97 M98 | F90-L94 HydrophobicContact CD1-CD1 3.72Å; F90-L94 HydrophobicContact CE1-CD1 3.41Å; F90-L94 VanDerWaalsContact CE1-CD1 3.41Å; F90-L94 HydrophobicContact CE1-CG 4.46Å; F90-L94 HydrophobicContact CZ-CD1 4.07Å; F90-L94 PolarHBondContact O-N 2.99Å; F90-L94 VanDerWaalsContact O-N 3.12Å; L94-K97 PolarHBondContact O-N 2.99Å; L94-M98 WeakPolarHBondContact O-CB 3.49Å; L94-M98 PolarHBondContact O-N 3.4Å |
| 95 | R | 36.8 | Very low | 34.9 | Very low | 181 Ų | 181 | 133 Ų | 133 | 68% | 0.683 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.8 | -36.3 | 175.4 | -147.1 | -179.5 | -66.3 | -146.5 | 6 | 112.1 | M91 K92 G99 | M91-R95 WeakPolarHBondContact O-CB 3.45Å; M91-R95 PolarHBondContact O-N 3.49Å; K92-R95 PolarHBondContact O-N 3.06Å; R95-G99 PolarHBondContact O-N 3Å |
| 96 | S | 38.6 | Very low | 34.3 | Very low | 71 Ų | 71 | 134.5 Ų | 134.5 | 50% | 0.497 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -70.9 | -30.8 | 176.1 | 84.3 | 0 | 0 | 0 | 0 | 113.7 | K92 M93 | K92-S96 PolarHBondContact O-N 2.99Å; M93-S96 PolarHBondContact O-N 3.28Å; M93-S96 PolarHBondContact O-OG 3.06Å |
| 97 | K | 33.3 | Very low | 34.3 | Very low | 145 Ų | 145 | 130.8 Ų | 130.8 | 63% | 0.63 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -84.2 | -33.8 | 176.9 | -78.9 | -176.2 | 175.3 | 178.8 | 0 | 112.6 | M93 L94 G99 K100 | M93-K97 PolarHBondContact O-N 3.38Å; M93-K97 VanDerWaalsContact O-N 3.09Å; L94-K97 PolarHBondContact O-N 2.99Å; K97-G99 VanDerWaalsContact C-N 3.32Å; K97-K100 PolarHBondContact O-N 2.96Å |
| 98 | M | 30.8 | Very low | 34.3 | Very low | 137 Ų | 137 | 129.9 Ų | 129.9 | 68% | 0.675 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -69.5 | -28.7 | 170.5 | -79.7 | 177.4 | 163.6 | 0 | 0 | 112.7 | L94 K100 W101 | L94-M98 WeakPolarHBondContact O-CB 3.49Å; L94-M98 PolarHBondContact O-N 3.4Å; M98-K100 PolarHBondContact O-N 2.63Å; M98-W101 PolarHBondContact O-N 3.12Å |
| 99 | G | 34.1 | Very low | 33.8 | Very low | 54 Ų | 54 | 130 Ų | 130 | 56% | 0.557 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -9.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R95 K97 | R95-G99 PolarHBondContact O-N 3Å; K97-G99 VanDerWaalsContact C-N 3.32Å |
| 100 | K | 36.8 | Very low | 33.6 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 77% | 0.765 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.9 | -5.5 | 177.7 | -74.3 | -177.9 | 176.9 | -179.1 | 0 | 114.4 | K97 M98 | K97-K100 PolarHBondContact O-N 2.96Å; M98-K100 PolarHBondContact O-N 2.63Å |
| 101 | W | 27.1 | Very low | 33.3 | Very low | 235 Ų | 235 | 134.2 Ų | 134.2 | 89% | 0.89 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | -12.1 | -176.6 | -96.5 | 49.7 | 0 | 0 | 0 | 114.7 | M98 C103 | M98-W101 PolarHBondContact O-N 3.12Å; W101-C103 VanDerWaalsContact C-N 3.26Å; W101-C103 PolarHBondContact O-N 3.39Å |
| 102 | C | 29.2 | Very low | 33.3 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 81% | 0.811 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 2.2 | 176 | -91 | 0 | 0 | 0 | 0 | 114.7 | ||
| 103 | C | 35 | Very low | 32.9 | Very low | 101 Ų | 101 | 131.4 Ų | 131.4 | 68% | 0.682 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 3.5 | -172.8 | -56 | 0 | 0 | 0 | 0 | 115.1 | W101 | W101-C103 VanDerWaalsContact C-N 3.26Å; W101-C103 PolarHBondContact O-N 3.39Å |
| 104 | H | 34.3 | Very low | 33.1 | Very low | 178 Ų | 178 | 136 Ų | 136 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -130.4 | -1.5 | -169.7 | -111.3 | -43.8 | 0 | 0 | 0 | 119 | ||
| 105 | C | 29.6 | Very low | 33.2 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -140.5 | 95.8 | 179.2 | -64.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 106 | F | 26.6 | Very low | 33.1 | Very low | 188 Ų | 188 | 134 Ų | 134 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | trans | 160.9 | 101 | 143.5 | -92.9 | -70.7 | 0 | 0 | 0 | 110.6 | ||||
| 107 | P | 33.7 | Very low | 33.1 | Very low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 73% | 0.73 | S | S | * | * | trans | -83.4 | 149 | 164.5 | 24.1 | -12.1 | 0 | 0 | 0 | 110.5 | ||||
| 108 | C | 33.9 | Very low | 33.4 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 86% | 0.858 | 73% | 0.728 | S | S | * | * | trans | 83 | 75.2 | 169.1 | -56.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 109 | C | 28.3 | Very low | 33.7 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 88% | 0.878 | 74% | 0.739 | S | S | * | * | trans | -120.2 | 115.8 | 144.7 | -81.5 | 0 | 0 | 0 | 0 | 108.9 | G111 | C109-G111 PolarHBondContact O-N 2.86Š| ||
| 110 | R | 36.6 | Very low | 34.5 | Very low | 265 Ų | 265 | 129.6 Ų | 129.6 | 100% | 1 | 73% | 0.734 | S | S | * | * | trans | -65.5 | 97.9 | 167.4 | -86 | -176.6 | 172.9 | -144.3 | 0 | 108.6 | ||||
| 111 | G | 28.7 | Very low | 35 | Very low | 57 Ų | 57 | 122.3 Ų | 122.3 | 59% | 0.588 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -175.3 | 108.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | C109 G113 | C109-G111 PolarHBondContact O-N 2.86Å; G111-G113 PolarHBondContact O-N 2.65Å |
| 112 | S | 38 | Very low | 36.3 | Very low | 115 Ų | 115 | 116.6 Ų | 116.6 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | trans | 25.8 | 86.5 | 168.6 | 60.8 | 0 | 0 | 0 | 0 | 114.7 | K114 | S112-K114 PolarHBondContact O-N 3.49Š| ||
| 113 | G | 31.6 | Very low | 37.9 | Very low | 79 Ų | 79 | 112.6 Ų | 112.6 | 81% | 0.814 | 66% | 0.663 | S | S | * | * | trans | -56 | 111 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | G111 S115 | G111-G113 PolarHBondContact O-N 2.65Å; G113-S115 PolarHBondContact O-N 3.43Å | ||
| 114 | K | 38.7 | Very low | 39.5 | Very low | 200 Ų | 200 | 111.7 Ų | 111.7 | 87% | 0.87 | 65% | 0.652 | S | S | * | * | trans | -74.7 | 95.8 | 159 | -69.6 | -176 | 178 | -177.8 | 0 | 106 | S112 | S112-K114 PolarHBondContact O-N 3.49Š| ||
| 115 | S | 35.3 | Very low | 41.4 | Very low | 41 Ų | 41 | 105.9 Ų | 105.9 | 29% | 0.287 | 63% | 0.625 | S | S | . | * | trans | -64 | 136.4 | 160.9 | 48.7 | 0 | 0 | 0 | 0 | 107.9 | G113 V117 | G113-S115 PolarHBondContact O-N 3.43Å; S115-V117 PolarHBondContact O-N 3.47Å | ||
| 116 | N | 34.9 | Very low | 43.8 | Very low | 173 Ų | 173 | 102.6 Ų | 102.6 | 93% | 0.925 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -85.2 | 51.6 | -170.2 | -134.4 | 19 | 0 | 0 | 0 | 110.7 | ||
| 117 | V | 38.8 | Very low | 46.3 | Very low | 29 Ų | 29 | 93.7 Ų | 93.7 | 18% | 0.176 | 57% | 0.565 | C | S | . | * | S | Bend | trans | -133.7 | 111.7 | -180 | -172.4 | 0 | 0 | 0 | 0 | 109.9 | S115 Y344 S347 S348 | S115-V117 PolarHBondContact O-N 3.47Å; V117-Y344 HydrophobicContact CG1-CD1 3.87Å; V117-Y344 HydrophobicContact CG1-CE1 3.99Å; V117-S347 VanDerWaalsContact CG2-C 3.45Å; V117-S347 VanDerWaalsContact CG2-O 3.32Å; V117-S347 WeakPolarHBondContact CG2-O 3.36Å; V117-S348 VanDerWaalsContact CG2-OG 3.29Å; V117-S348 WeakPolarHBondContact CG2-OG 3.42Å |
| 118 | G | 39.1 | Very low | 48.8 | Very low | 57 Ų | 57 | 88.8 Ų | 88.8 | 59% | 0.588 | 53% | 0.532 | S | S | * | . | S | Bend | trans | 69.8 | 125 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | W120 | G118-W120 VanDerWaalsContact O-CD1 3.31Å; G118-W120 PolarHBondContact O-N 3.23Å |
| 119 | A | 37.9 | Very low | 50.6 | Low | 109 Ų | 109 | 88.7 Ų | 88.7 | 90% | 0.901 | 52% | 0.52 | S | S | * | . | trans | -57.1 | 109.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | G121 | A119-G121 PolarHBondContact O-N 2.91Š| ||
| 120 | W | 51 | Low | 53 | Low | 119 Ų | 119 | 87 Ų | 87 | 45% | 0.451 | 50% | 0.499 | S | S | . | . | trans | -66.3 | 86.2 | 170.6 | -65.4 | 84.6 | 0 | 0 | 0 | 108.5 | G118 D122 C314 | G118-W120 VanDerWaalsContact O-CD1 3.31Å; G118-W120 PolarHBondContact O-N 3.23Å; W120-D122 PolarHBondContact O-N 3.2Å; W120-C314 HydrophobicContact CH2-CB 3.36Å; W120-C314 HydrophobicContact CZ2-CB 3.81Å; W120-C314 VanDerWaalsContact CZ2-O 3.27Å; W120-C314 WeakPolarHBondContact CZ2-O 3.43Å; W120-C314 HydrophobicContact CZ3-CB 4.3Å | ||
| 121 | G | 45.8 | Very low | 55.1 | Low | 23 Ų | 23 | 77.1 Ų | 77.1 | 24% | 0.237 | 47% | 0.469 | C | S | . | . | trans | -71.6 | 120.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | A119 Y123 Y304 | A119-G121 PolarHBondContact O-N 2.91Å; G121-Y123 PolarHBondContact O-N 3.35Å; G121-Y304 PolarHBondContact O-OH 3.32Å | ||
| 122 | D | 54.3 | Low | 58 | Low | 115 Ų | 115 | 80.1 Ų | 80.1 | 62% | 0.615 | 46% | 0.463 | S | S | * | . | trans | 66.5 | 21.8 | 145 | -31.3 | -37.4 | 0 | 0 | 0 | 120 | W120 D124 R303 | W120-D122 PolarHBondContact O-N 3.2Å; D122-D124 PolarHBondContact O-N 3.08Å; D122-D124 VanDerWaalsContact O-N 3.15Å; D122-R303 IonicContact OD2-CZ 3.21Å; D122-R303 IonicContact OD2-NH1 2.73Å; D122-R303 PolarHBondContact OD2-NH1 3.25Å; D122-R303 IonicContact OD2-NH2 3.74Å | ||
| 123 | Y | 63.9 | Low | 60.4 | Low | 36 Ų | 36 | 75.4 Ų | 75.4 | 14% | 0.141 | 43% | 0.428 | C | S | . | . | trans | -78.3 | 98.3 | 163.3 | -167 | -108.9 | 0 | 0 | 0 | 110 | G121 H125 F128 C271 L273 L278 H281 E282 | G121-Y123 PolarHBondContact O-N 3.35Å; Y123-H125 AromaticContact CD1-CD2 3.91Å; Y123-H125 AromaticContact CD1-CE1 3.53Å; Y123-H125 AromaticContact CD1-ND1 3.77Å; Y123-H125 AromaticContact CD1-NE2 3.62Å; Y123-H125 AromaticContact CE1-CE1 3.71Å; Y123-H125 AromaticContact CE1-ND1 3.64Å; Y123-H125 PolarHBondContact O-CD2 2.94Å; Y123-H125 PolarHBondContact O-N 3.06Å; Y123-F128 HydrophobicContact CE1-CE2 4.3Å; Y123-F128 WeakPolarHBondContact OH-CE2 3.37Å; Y123-F128 WeakPolarHBondContact OH-CZ 3.25Å; Y123-C271 HydrophobicContact CD2-CB 3.77Å; Y123-C271 WeakPolarHBondContact CD2-SG 3.44Å; Y123-C271 HydrophobicContact CE2-CB 4.09Å; Y123-L273 HydrophobicContact CD2-CD1 3.73Å; Y123-L273 HydrophobicContact CE2-CD1 3.48Å; Y123-L273 VanDerWaalsContact CE2-CD1 3.48Å; Y123-L278 HydrophobicContact CE1-CD1 4.14Å; Y123-L278 WeakPolarHBondContact OH-CD1 3.41Å; Y123-H281 AromaticContact CD1-CE1 3.56Å; Y123-H281 AromaticContact CD1-ND1 3.89Å; Y123-H281 AromaticContact CG-CE1 3.98Å; Y123-E282 WeakPolarHBondContact CE1-OE1 3.41Å | ||
| 124 | D | 68.4 | Low | 63 | Low | 82 Ų | 82 | 78.3 Ų | 78.3 | 44% | 0.439 | 42% | 0.42 | S | S | . | . | trans | -78.1 | 103.1 | 179.4 | -174.1 | 9.9 | 0 | 0 | 0 | 111.4 | D122 S126 | D122-D124 PolarHBondContact O-N 3.08Å; D122-D124 VanDerWaalsContact O-N 3.15Å; D124-S126 PolarHBondContact O-N 3.36Å; D124-S126 WeakPolarHBondContact OD1-CA 3.21Å; D124-S126 WeakPolarHBondContact OD1-CB 3.48Å; D124-S126 PolarHBondContact OD1-N 2.93Å; D124-S126 PolarHBondContact OD1-OG 3.37Å; D124-S126 WeakPolarHBondContact OD2-CB 3.26Å; D124-S126 PolarHBondContact OD2-OG 3.09Å | ||
| 125 | H | 74.4 | Confident | 65.2 | Low | 57 Ų | 57 | 70.8 Ų | 70.8 | 26% | 0.264 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -73.2 | -1.7 | 174.3 | -64.1 | -92.5 | 0 | 0 | 0 | 113.5 | Y123 A127 F128 M129 E282 | Y123-H125 AromaticContact CD1-CD2 3.91Å; Y123-H125 AromaticContact CD1-CE1 3.53Å; Y123-H125 AromaticContact CD1-ND1 3.77Å; Y123-H125 AromaticContact CD1-NE2 3.62Å; Y123-H125 AromaticContact CE1-CE1 3.71Å; Y123-H125 AromaticContact CE1-ND1 3.64Å; Y123-H125 PolarHBondContact O-CD2 2.94Å; Y123-H125 PolarHBondContact O-N 3.06Å; H125-A127 PolarHBondContact O-N 3.28Å; H125-A127 VanDerWaalsContact O-N 3.09Å; H125-F128 PolarHBondContact O-N 2.86Å; H125-M129 HydrophobicContact CB-CE 4Å; H125-M129 HydrophobicContact CB-CG 4.35Å; H125-M129 WeakPolarHBondContact O-CG 3.29Å; H125-M129 PolarHBondContact O-N 3.32Å; H125-E282 IonicContact CE1-OE1 3.23Å; H125-E282 PolarHBondContact CE1-OE1 3.09Å; H125-E282 IonicContact CE1-OE2 3.7Å; H125-E282 PolarHBondContact CE1-OE2 2.92Å; H125-E282 IonicContact ND1-OE1 3.55Å; H125-E282 IonicContact ND1-OE2 3.97Å |
| 126 | S | 80 | Confident | 67.4 | Low | 39 Ų | 39 | 77.9 Ų | 77.9 | 27% | 0.273 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -55 | -30.2 | -179.5 | 72.5 | 0 | 0 | 0 | 0 | 112.9 | D124 F128 Y238 | D124-S126 PolarHBondContact O-N 3.36Å; D124-S126 WeakPolarHBondContact OD1-CA 3.21Å; D124-S126 WeakPolarHBondContact OD1-CB 3.48Å; D124-S126 PolarHBondContact OD1-N 2.93Å; D124-S126 PolarHBondContact OD1-OG 3.37Å; D124-S126 WeakPolarHBondContact OD2-CB 3.26Å; D124-S126 PolarHBondContact OD2-OG 3.09Å; S126-F128 PolarHBondContact O-N 3.05Å; S126-F128 VanDerWaalsContact O-N 3.14Å; S126-Y238 PolarHBondContact OG-OH 3.34Å |
| 127 | A | 79.7 | Confident | 69.2 | Low | 1 Ų | 1 | 79.2 Ų | 79.2 | 1% | 0.008 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -55 | -31 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | H125 Q215 Y238 Y245 | H125-A127 PolarHBondContact O-N 3.28Å; H125-A127 VanDerWaalsContact O-N 3.09Å; A127-Q215 PolarHBondContact O-NE2 3.49Å; A127-Y238 HydrophobicContact CB-CD1 4.35Å; A127-Y238 HydrophobicContact CB-CD2 3.31Å; A127-Y238 HydrophobicContact CB-CE2 3.7Å; A127-Y238 HydrophobicContact CB-CG 3.72Å; A127-Y245 WeakPolarHBondContact O-CE1 3.48Å; A127-Y245 PolarHBondContact O-OH 3.08Å |
| 128 | F | 85.4 | Confident | 71.1 | Confident | 11 Ų | 11 | 86.1 Ų | 86.1 | 5% | 0.048 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -22.2 | -172.3 | -51.6 | -80.6 | 0 | 0 | 0 | 114.5 | Y123 H125 S126 E130 Y245 Y248 L278 | Y123-F128 HydrophobicContact CE1-CE2 4.3Å; Y123-F128 WeakPolarHBondContact OH-CE2 3.37Å; Y123-F128 WeakPolarHBondContact OH-CZ 3.25Å; H125-F128 PolarHBondContact O-N 2.86Å; S126-F128 PolarHBondContact O-N 3.05Å; S126-F128 VanDerWaalsContact O-N 3.14Å; F128-E130 VanDerWaalsContact C-N 3.31Å; F128-E130 PolarHBondContact O-N 3.21Å; F128-Y245 AromaticContact CD1-CD1 3.64Å; F128-Y245 HydrophobicContact CD1-CD1 3.64Å; F128-Y245 AromaticContact CD1-CE1 3.59Å; F128-Y245 HydrophobicContact CD1-CE1 3.59Å; F128-Y245 HydrophobicContact CD1-CG 4.48Å; F128-Y245 AromaticContact CE1-CD1 3.83Å; F128-Y245 HydrophobicContact CE1-CD1 3.83Å; F128-Y245 AromaticContact CE1-CE1 3.9Å; F128-Y245 HydrophobicContact CE1-CE1 3.9Å; F128-Y245 HydrophobicContact CE1-CG 4.24Å; F128-Y245 HydrophobicContact CG-CE1 4.48Å; F128-Y248 HydrophobicContact CB-CD1 3.69Å; F128-Y248 HydrophobicContact CB-CD2 4.15Å; F128-Y248 HydrophobicContact CB-CE1 3.31Å; F128-Y248 HydrophobicContact CB-CE2 3.81Å; F128-Y248 HydrophobicContact CB-CG 4.09Å; F128-Y248 AromaticContact CD1-CD1 3.55Å; F128-Y248 HydrophobicContact CD1-CD1 3.55Å; F128-Y248 AromaticContact CD1-CD2 3.71Å; F128-Y248 HydrophobicContact CD1-CD2 3.71Å; F128-Y248 HydrophobicContact CD1-CE1 4.12Å; F128-Y248 HydrophobicContact CD1-CE2 4.25Å; F128-Y248 AromaticContact CD1-CG 3.32Å; F128-Y248 HydrophobicContact CD1-CG 3.32Å; F128-Y248 AromaticContact CD2-CD2 3.77Å; F128-Y248 HydrophobicContact CD2-CD2 3.77Å; F128-Y248 AromaticContact CD2-CE2 3.76Å; F128-Y248 HydrophobicContact CD2-CE2 3.76Å; F128-Y248 HydrophobicContact CD2-CG 4.26Å; F128-Y248 HydrophobicContact CE1-CD1 4.4Å; F128-Y248 HydrophobicContact CE1-CD2 4.01Å; F128-Y248 AromaticContact CE1-CG 3.74Å; F128-Y248 HydrophobicContact CE1-CG 3.74Å; F128-Y248 HydrophobicContact CE2-CD2 4.1Å; F128-Y248 HydrophobicContact CE2-CE2 4.43Å; F128-Y248 AromaticContact CG-CD1 3.74Å; F128-Y248 HydrophobicContact CG-CD1 3.74Å; F128-Y248 AromaticContact CG-CD2 3.59Å; F128-Y248 HydrophobicContact CG-CD2 3.59Å; F128-Y248 AromaticContact CG-CE1 3.82Å; F128-Y248 HydrophobicContact CG-CE1 3.82Å; F128-Y248 AromaticContact CG-CE2 3.67Å; F128-Y248 HydrophobicContact CG-CE2 3.67Å; F128-Y248 AromaticContact CG-CG 3.62Å; F128-Y248 HydrophobicContact CG-CG 3.62Å; F128-Y248 AromaticContact CG-CZ 3.77Å; F128-Y248 HydrophobicContact CZ-CD2 4.2Å; F128-Y248 HydrophobicContact CZ-CG 4.38Å; F128-L278 HydrophobicContact CZ-CD2 4.28Å |
| 129 | M | 72.4 | Confident | 72.8 | Confident | 124 Ų | 124 | 85.1 Ų | 85.1 | 61% | 0.611 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -75.1 | -6.1 | -166.7 | -72.2 | -66.5 | 172.9 | 0 | 0 | 116.3 | H125 | H125-M129 HydrophobicContact CB-CE 4Å; H125-M129 HydrophobicContact CB-CG 4.35Å; H125-M129 WeakPolarHBondContact O-CG 3.29Å; H125-M129 PolarHBondContact O-N 3.32Å |
| 130 | E | 77.3 | Confident | 75 | Confident | 96 Ų | 96 | 80.1 Ų | 80.1 | 45% | 0.449 | 37% | 0.371 | S | S | . | . | trans | -137.5 | 87.3 | 179.2 | -69.5 | 176.1 | 178.3 | 0 | 0 | 110.9 | F128 H134 Q215 | F128-E130 VanDerWaalsContact C-N 3.31Å; F128-E130 PolarHBondContact O-N 3.21Å; E130-H134 IonicContact OE1-NE2 3.51Å; E130-H134 IonicContact OE2-CD2 3.73Å; E130-H134 IonicContact OE2-NE2 2.98Å; E130-Q215 PolarHBondContact O-NE2 2.92Å | ||
| 131 | P | 81.1 | Confident | 76.8 | Confident | 57 Ų | 57 | 77.4 Ų | 77.4 | 37% | 0.37 | 37% | 0.365 | S | S | . | . | trans | -70.4 | -40.5 | -172.7 | 25.6 | -32.7 | 0 | 0 | 0 | 111.9 | K212 Q215 C216 | P131-K212 WeakPolarHBondContact O-CE 3.4Å; P131-K212 PolarHBondContact O-NZ 2.84Å; P131-Q215 HydrophobicContact CB-CG 4.02Å; P131-Q215 WeakPolarHBondContact CB-O 3.38Å; P131-C216 VanDerWaalsContact C-SG 3.53Å; P131-C216 PolarHBondContact O-SG 2.7Å | ||
| 132 | R | 88.9 | Confident | 78.8 | Confident | 119 Ų | 119 | 83.3 Ų | 83.3 | 45% | 0.449 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -90.3 | 152.3 | -179.9 | -63.8 | -170.8 | -174.2 | -83.5 | -4.2 | 111.4 | A182 E218 | R132-A182 PolarHBondContact NH1-O 2.97Å; R132-E218 IonicContact CZ-OE1 3.66Å; R132-E218 IonicContact NH1-OE1 3.27Å; R132-E218 PolarHBondContact NH1-OE1 3.04Å; R132-E218 IonicContact NH2-OE1 3.86Å; R132-E218 PolarHBondContact NH2-OE1 3.31Å |
| 133 | Y | 89.9 | Confident | 80.6 | Confident | 17 Ų | 17 | 78 Ų | 78 | 7% | 0.067 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 139.5 | 175.4 | -71 | -64.3 | 0 | 0 | 0 | 111.7 | W148 R174 H178 L179 A182 D203 K212 | Y133-W148 HydrophobicContact CD2-CZ3 4.23Å; Y133-W148 WeakPolarHBondContact O-CH2 3.32Å; Y133-R174 HydrophobicContact CE1-CG 4.04Å; Y133-H178 HydrophobicContact CE2-CB 4.1Å; Y133-H178 PolarHBondContact OH-CD2 2.92Å; Y133-L179 HydrophobicContact CD2-CD2 3.78Å; Y133-L179 HydrophobicContact CE2-CD2 4.14Å; Y133-L179 HydrophobicContact CG-CD2 4.43Å; Y133-A182 HydrophobicContact CD2-CB 3.78Å; Y133-A182 HydrophobicContact CE2-CB 3.77Å; Y133-D203 WeakPolarHBondContact CE1-OD2 3.37Å; Y133-D203 PolarHBondContact OH-OD2 3.32Å; Y133-K212 HydrophobicContact CE1-CD 4.17Å; Y133-K212 HydrophobicContact CE2-CD 4.37Å; Y133-K212 HydrophobicContact CE2-CG 4.23Å; Y133-K212 VanDerWaalsContact OH-CG 3.29Å; Y133-K212 WeakPolarHBondContact OH-CG 3.46Å |
| 134 | H | 85.3 | Confident | 82 | Confident | 139 Ų | 139 | 76.3 Ų | 76.3 | 64% | 0.644 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -82.9 | 124.5 | 162.1 | -65.6 | -59.6 | 0 | 0 | 0 | 109.1 | E130 R174 | E130-H134 IonicContact OE1-NE2 3.51Å; E130-H134 IonicContact OE2-CD2 3.73Å; E130-H134 IonicContact OE2-NE2 2.98Å; H134-R174 PolarHBondContact O-NH1 3.49Å |
| 135 | I | 84.7 | Confident | 83 | Confident | 43 Ų | 43 | 76.5 Ų | 76.5 | 22% | 0.221 | 34% | 0.344 | C | S | . | . | trans | -136.1 | 130.9 | -172.1 | -60 | -167.3 | 0 | 0 | 0 | 110 | L140 W148 L179 | I135-L140 HydrophobicContact CD1-CD1 4.14Å; I135-L140 HydrophobicContact CD1-CD2 4.37Å; I135-L140 HydrophobicContact CG2-CD1 3.54Å; I135-L140 HydrophobicContact CG2-CD2 3.92Å; I135-L140 HydrophobicContact CG2-CG 3.56Å; I135-W148 HydrophobicContact CB-CZ2 4.5Å; I135-W148 HydrophobicContact CD1-CD2 3.51Å; I135-W148 HydrophobicContact CD1-CE3 3.21Å; I135-W148 HydrophobicContact CD1-CG 4.32Å; I135-W148 HydrophobicContact CD1-CH2 3.6Å; I135-W148 HydrophobicContact CD1-CZ2 3.9Å; I135-W148 HydrophobicContact CD1-CZ3 3.27Å; I135-W148 HydrophobicContact CG1-CE3 4.42Å; I135-W148 HydrophobicContact CG1-CH2 4Å; I135-W148 HydrophobicContact CG1-CZ2 4.23Å; I135-W148 HydrophobicContact CG1-CZ3 4.12Å; I135-L179 HydrophobicContact CD1-CD2 3.55Å | ||
| 136 | R | 81.7 | Confident | 83.9 | Confident | 190 Ų | 190 | 74 Ų | 74 | 72% | 0.717 | 33% | 0.333 | S | S | * | . | trans | -97.6 | 144.4 | 164.7 | -52.3 | 179.4 | 175.3 | -172.3 | -0.5 | 109.2 | E138 D139 | R136-E138 PolarHBondContact O-N 3.15Å; R136-E138 VanDerWaalsContact O-N 3.17Å; R136-D139 WeakPolarHBondContact CB-OD2 3.49Å; R136-D139 PolarHBondContact O-N 2.85Å; R136-D139 VanDerWaalsContact O-N 3.1Å | ||
| 137 | R | 72.8 | Confident | 84.5 | Confident | 200 Ų | 200 | 72.1 Ų | 72.1 | 76% | 0.755 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -58.4 | -32.1 | -174.2 | -77.7 | -175.3 | 172.9 | 177.8 | -1.3 | 113.5 | D139 | R137-D139 VanDerWaalsContact C-N 3.27Å; R137-D139 PolarHBondContact O-N 3.41Å |
| 138 | E | 78.3 | Confident | 85.1 | Confident | 174 Ų | 174 | 74.3 Ų | 74.3 | 81% | 0.813 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -73 | -16.7 | -178 | -67.4 | 150.8 | -146.5 | 0 | 0 | 113.4 | R136 | R136-E138 PolarHBondContact O-N 3.15Å; R136-E138 VanDerWaalsContact O-N 3.17Å |
| 139 | D | 75.4 | Confident | 85.2 | Confident | 36 Ų | 36 | 79.6 Ų | 79.6 | 19% | 0.193 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -88.6 | -10.9 | -174.2 | -63.5 | -36.8 | 0 | 0 | 0 | 113.6 | R136 R137 K171 | R136-D139 WeakPolarHBondContact CB-OD2 3.49Å; R136-D139 PolarHBondContact O-N 2.85Å; R136-D139 VanDerWaalsContact O-N 3.1Å; R137-D139 VanDerWaalsContact C-N 3.27Å; R137-D139 PolarHBondContact O-N 3.41Å; D139-K171 IonicContact OD1-NZ 3.24Å; D139-K171 PolarHBondContact OD1-NZ 3.13Å |
| 140 | L | 84.3 | Confident | 86 | Confident | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | trans | -107.4 | 131 | -173.8 | -61.8 | -165.7 | 0 | 0 | 0 | 112.1 | I135 H144 R145 W148 L179 | I135-L140 HydrophobicContact CD1-CD1 4.14Å; I135-L140 HydrophobicContact CD1-CD2 4.37Å; I135-L140 HydrophobicContact CG2-CD1 3.54Å; I135-L140 HydrophobicContact CG2-CD2 3.92Å; I135-L140 HydrophobicContact CG2-CG 3.56Å; L140-H144 HydrophobicContact CB-CB 3.92Å; L140-H144 HydrophobicContact CD1-CB 4.41Å; L140-H144 HydrophobicContact CD2-CB 4Å; L140-H144 HydrophobicContact CG-CB 4.32Å; L140-R145 HydrophobicContact CB-CG 3.59Å; L140-R145 HydrophobicContact CD1-CG 4.19Å; L140-R145 PolarHBondContact O-NH1 3.25Å; L140-W148 HydrophobicContact CD1-CB 4.12Å; L140-W148 HydrophobicContact CD1-CG 4.37Å; L140-L179 HydrophobicContact CD1-CD1 4.18Å; L140-L179 HydrophobicContact CD2-CD1 3.89Å | ||
| 141 | D | 87.6 | Confident | 86.2 | Confident | 63 Ų | 63 | 79.3 Ų | 79.3 | 34% | 0.337 | 35% | 0.346 | S | S | . | . | trans | -71.7 | 173.6 | 167 | -72.3 | -25.5 | 0 | 0 | 0 | 112.2 | L143 H144 R145 K168 | D141-L143 VanDerWaalsContact C-N 3.32Å; D141-L143 PolarHBondContact O-N 2.95Å; D141-H144 PolarHBondContact O-N 3.14Å; D141-R145 VanDerWaalsContact O-CB 3.3Å; D141-R145 WeakPolarHBondContact O-CB 3.47Å; D141-R145 WeakPolarHBondContact O-CG 3.43Å; D141-R145 PolarHBondContact O-N 3.26Å; D141-K168 VanDerWaalsContact OD2-CD 3.31Å; D141-K168 WeakPolarHBondContact OD2-CD 3.42Å; D141-K168 WeakPolarHBondContact OD2-CE 3.46Å; D141-K168 IonicContact OD2-NZ 3.75Å; D141-K168 PolarHBondContact OD2-NZ 3Å | ||
| 142 | K | 89.2 | Confident | 86.4 | Confident | 146 Ų | 146 | 78 Ų | 78 | 64% | 0.635 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -52.9 | -46.2 | -179.8 | -67.9 | -179.4 | -177.8 | 176.3 | 0 | 112.6 | R145 A146 M160 | K142-R145 WeakPolarHBondContact O-CB 3.48Å; K142-R145 PolarHBondContact O-N 3.47Å; K142-A146 WeakPolarHBondContact O-CB 3.4Å; K142-A146 PolarHBondContact O-N 2.73Å; K142-M160 HydrophobicContact CB-SD 4.45Å |
| 143 | L | 91.4 | Very high | 86.3 | Confident | 3 Ų | 3 | 75.6 Ų | 75.6 | 2% | 0.016 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.5 | -44.6 | -179.9 | -179.4 | 62.5 | 0 | 0 | 0 | 111.9 | D141 R145 A146 A147 L161 T164 A176 | D141-L143 VanDerWaalsContact C-N 3.32Å; D141-L143 PolarHBondContact O-N 2.95Å; L143-R145 VanDerWaalsContact C-N 3.3Å; L143-R145 PolarHBondContact O-N 3.35Å; L143-A146 PolarHBondContact O-N 3.45Å; L143-A147 WeakPolarHBondContact O-CB 3.32Å; L143-A147 PolarHBondContact O-N 3.1Å; L143-L161 HydrophobicContact CD1-CD2 3.59Å; L143-L161 HydrophobicContact CD1-CG 4.21Å; L143-L161 HydrophobicContact CD2-CD2 3.72Å; L143-L161 HydrophobicContact CG-CD2 4.32Å; L143-T164 HydrophobicContact CB-CG2 4.3Å; L143-T164 HydrophobicContact CD2-CG2 4.33Å; L143-A176 HydrophobicContact CD1-CB 4.47Å; L143-A176 HydrophobicContact CD2-CB 3.92Å; L143-A176 HydrophobicContact CG-CB 3.76Å |
| 144 | H | 92.7 | Very high | 86.1 | Confident | 2 Ų | 2 | 80.4 Ų | 80.4 | 1% | 0.009 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60 | -41.2 | 176.3 | -67 | 96.8 | 0 | 0 | 0 | 112.2 | L140 D141 A147 W148 K168 R174 L179 | L140-H144 HydrophobicContact CB-CB 3.92Å; L140-H144 HydrophobicContact CD1-CB 4.41Å; L140-H144 HydrophobicContact CD2-CB 4Å; L140-H144 HydrophobicContact CG-CB 4.32Å; D141-H144 PolarHBondContact O-N 3.14Å; H144-A147 PolarHBondContact O-N 3.24Å; H144-W148 WeakPolarHBondContact O-CB 3.41Å; H144-W148 PolarHBondContact O-N 2.97Å; H144-K168 PolarHBondContact CE1-O 3.09Å; H144-K168 VanDerWaalsContact CE1-O 3.28Å; H144-K168 PolarHBondContact NE2-O 3.43Å; H144-R174 PolarHBondContact NE2-O 3.3Å; H144-L179 HydrophobicContact CB-CD1 3.54Å; H144-L179 WeakPolarHBondContact O-CD1 3.47Å |
| 145 | R | 90.9 | Very high | 86.2 | Confident | 85 Ų | 85 | 80.8 Ų | 80.8 | 32% | 0.321 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.3 | -49.7 | 173.2 | -84.9 | -165.2 | -54.6 | -112 | 11.6 | 112.1 | L140 D141 K142 L143 A147 W148 W149 | L140-R145 HydrophobicContact CB-CG 3.59Å; L140-R145 HydrophobicContact CD1-CG 4.19Å; L140-R145 PolarHBondContact O-NH1 3.25Å; D141-R145 VanDerWaalsContact O-CB 3.3Å; D141-R145 WeakPolarHBondContact O-CB 3.47Å; D141-R145 WeakPolarHBondContact O-CG 3.43Å; D141-R145 PolarHBondContact O-N 3.26Å; K142-R145 WeakPolarHBondContact O-CB 3.48Å; K142-R145 PolarHBondContact O-N 3.47Å; L143-R145 VanDerWaalsContact C-N 3.3Å; L143-R145 PolarHBondContact O-N 3.35Å; R145-A147 VanDerWaalsContact C-N 3.31Å; R145-A147 PolarHBondContact O-N 3.2Å; R145-W148 PolarHBondContact O-N 3.04Å; R145-W149 HydrophobicContact CB-CE3 3.8Å; R145-W149 HydrophobicContact CB-CH2 4Å; R145-W149 HydrophobicContact CB-CZ3 3.27Å; R145-W149 VanDerWaalsContact CD-CH2 3.5Å; R145-W149 VanDerWaalsContact CD-CZ3 3.48Å; R145-W149 HydrophobicContact CG-CE3 4.33Å; R145-W149 HydrophobicContact CG-CH2 3.6Å; R145-W149 HydrophobicContact CG-CZ3 3.42Å; R145-W149 VanDerWaalsContact CG-CZ3 3.42Å; R145-W149 PolarHBondContact O-N 3.45Å |
| 146 | A | 91.8 | Very high | 86.3 | Confident | 4 Ų | 4 | 81.9 Ų | 81.9 | 3% | 0.033 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.1 | -44 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K142 L143 W148 G150 V152 L157 M160 | K142-A146 WeakPolarHBondContact O-CB 3.4Å; K142-A146 PolarHBondContact O-N 2.73Å; L143-A146 PolarHBondContact O-N 3.45Å; A146-W148 PolarHBondContact O-N 3.42Å; A146-G150 PolarHBondContact O-N 3.24Å; A146-V152 HydrophobicContact CB-CB 4.26Å; A146-V152 HydrophobicContact CB-CG1 4.45Å; A146-V152 HydrophobicContact CB-CG2 3.67Å; A146-L157 HydrophobicContact CB-CD2 3.64Å; A146-M160 HydrophobicContact CB-SD 4.02Å |
| 147 | A | 93.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.1 | -34.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | L143 H144 R145 A176 L179 A180 N185 V188 | L143-A147 WeakPolarHBondContact O-CB 3.32Å; L143-A147 PolarHBondContact O-N 3.1Å; H144-A147 PolarHBondContact O-N 3.24Å; R145-A147 VanDerWaalsContact C-N 3.31Å; R145-A147 PolarHBondContact O-N 3.2Å; A147-A176 HydrophobicContact CB-CB 3.88Å; A147-A176 VanDerWaalsContact CB-O 3.28Å; A147-A176 WeakPolarHBondContact CB-O 3.35Å; A147-L179 HydrophobicContact CB-CB 4.29Å; A147-A180 HydrophobicContact CB-CB 4.07Å; A147-A180 VanDerWaalsContact O-CA 3.24Å; A147-A180 WeakPolarHBondContact O-CA 3.32Å; A147-A180 PolarHBondContact O-N 3.09Å; A147-N185 PolarHBondContact O-ND2 3.39Å; A147-V188 HydrophobicContact CB-CG1 4.13Å |
| 148 | W | 91.9 | Very high | 87 | Confident | 47 Ų | 47 | 65.7 Ų | 65.7 | 18% | 0.178 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.9 | -44.4 | 176.9 | 179.1 | -102 | 0 | 0 | 0 | 112.6 | Y133 I135 L140 H144 R145 A146 L179 N183 N185 | Y133-W148 HydrophobicContact CD2-CZ3 4.23Å; Y133-W148 WeakPolarHBondContact O-CH2 3.32Å; I135-W148 HydrophobicContact CB-CZ2 4.5Å; I135-W148 HydrophobicContact CD1-CD2 3.51Å; I135-W148 HydrophobicContact CD1-CE3 3.21Å; I135-W148 HydrophobicContact CD1-CG 4.32Å; I135-W148 HydrophobicContact CD1-CH2 3.6Å; I135-W148 HydrophobicContact CD1-CZ2 3.9Å; I135-W148 HydrophobicContact CD1-CZ3 3.27Å; I135-W148 HydrophobicContact CG1-CE3 4.42Å; I135-W148 HydrophobicContact CG1-CH2 4Å; I135-W148 HydrophobicContact CG1-CZ2 4.23Å; I135-W148 HydrophobicContact CG1-CZ3 4.12Å; L140-W148 HydrophobicContact CD1-CB 4.12Å; L140-W148 HydrophobicContact CD1-CG 4.37Å; H144-W148 WeakPolarHBondContact O-CB 3.41Å; H144-W148 PolarHBondContact O-N 2.97Å; R145-W148 PolarHBondContact O-N 3.04Å; A146-W148 PolarHBondContact O-N 3.42Å; W148-L179 HydrophobicContact CB-CB 4.44Å; W148-L179 HydrophobicContact CE3-CB 4.22Å; W148-L179 HydrophobicContact CE3-CD2 3.91Å; W148-L179 HydrophobicContact CZ3-CD2 4.28Å; W148-N183 WeakPolarHBondContact CZ3-ND2 3.35Å; W148-N183 VanDerWaalsContact CZ3-OD1 3.24Å; W148-N183 WeakPolarHBondContact CZ3-OD1 3.37Å; W148-N183 PolarHBondContact O-ND2 3.37Å; W148-N185 PolarHBondContact O-ND2 3.18Å |
| 149 | W | 89.1 | Confident | 87.4 | Confident | 123 Ų | 123 | 61.3 Ų | 61.3 | 47% | 0.466 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -85.7 | -27.3 | -175.9 | -70.3 | -58.5 | 0 | 0 | 0 | 114.5 | R145 K151 | R145-W149 HydrophobicContact CB-CE3 3.8Å; R145-W149 HydrophobicContact CB-CH2 4Å; R145-W149 HydrophobicContact CB-CZ3 3.27Å; R145-W149 VanDerWaalsContact CD-CH2 3.5Å; R145-W149 VanDerWaalsContact CD-CZ3 3.48Å; R145-W149 HydrophobicContact CG-CE3 4.33Å; R145-W149 HydrophobicContact CG-CH2 3.6Å; R145-W149 HydrophobicContact CG-CZ3 3.42Å; R145-W149 VanDerWaalsContact CG-CZ3 3.42Å; R145-W149 PolarHBondContact O-N 3.45Å; W149-K151 PolarHBondContact O-N 3.25Å |
| 150 | G | 88.2 | Confident | 87.9 | Confident | 16 Ų | 16 | 62.1 Ų | 62.1 | 17% | 0.165 | 29% | 0.291 | C | S | . | . | trans | 69.6 | -20.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | A146 V152 N185 | A146-G150 PolarHBondContact O-N 3.24Å; G150-V152 PolarHBondContact O-N 2.96Å; G150-N185 VanDerWaalsContact CA-CG 3.42Å; G150-N185 WeakPolarHBondContact CA-OD1 3.47Å; G150-N185 PolarHBondContact N-ND2 2.91Å | ||
| 151 | K | 82.6 | Confident | 88 | Confident | 198 Ų | 198 | 62.8 Ų | 62.8 | 86% | 0.861 | 30% | 0.295 | S | S | * | . | trans | -81.7 | 46.8 | -179 | -60.6 | -176.7 | -177.5 | -177.1 | 0 | 113 | W149 | W149-K151 PolarHBondContact O-N 3.25Š| ||
| 152 | V | 84.3 | Confident | 87.8 | Confident | 28 Ų | 28 | 69.1 Ų | 69.1 | 17% | 0.17 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -117.5 | 124.4 | 178.6 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | A146 G150 R154 D156 L157 M160 | A146-V152 HydrophobicContact CB-CB 4.26Å; A146-V152 HydrophobicContact CB-CG1 4.45Å; A146-V152 HydrophobicContact CB-CG2 3.67Å; G150-V152 PolarHBondContact O-N 2.96Å; V152-R154 PolarHBondContact O-N 3.13Å; V152-D156 HydrophobicContact CG1-CB 3.87Å; V152-L157 HydrophobicContact CB-CD1 4.34Å; V152-L157 HydrophobicContact CB-CD2 4.36Å; V152-L157 HydrophobicContact CB-CG 4.03Å; V152-L157 HydrophobicContact CG1-CD2 4.35Å; V152-L157 HydrophobicContact CG1-CG 3.89Å; V152-M160 HydrophobicContact CG1-CE 4.41Å |
| 153 | P | 87.5 | Confident | 87.2 | Confident | 70 Ų | 70 | 68.8 Ų | 68.8 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | trans | -52.3 | 136.7 | 177 | -26.3 | 34.5 | 0 | 0 | 0 | 111.3 | K155 D156 L157 | P153-K155 HydrophobicContact CB-CG 3.99Å; P153-K155 PolarHBondContact O-N 2.84Å; P153-D156 WeakPolarHBondContact CD-OD2 3.45Å; P153-D156 WeakPolarHBondContact CG-OD2 3.47Å; P153-D156 PolarHBondContact O-N 3.21Å; P153-L157 PolarHBondContact O-N 3.34Å | ||
| 154 | R | 85.2 | Confident | 86.9 | Confident | 117 Ų | 117 | 70.6 Ų | 70.6 | 44% | 0.442 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -50.8 | -37.4 | -178.1 | -173.5 | 176.9 | 176.9 | 87.5 | -3.4 | 113.1 | V152 D156 L157 I158 D194 | V152-R154 PolarHBondContact O-N 3.13Å; R154-D156 VanDerWaalsContact C-N 3.33Å; R154-D156 PolarHBondContact O-N 2.96Å; R154-L157 PolarHBondContact O-N 3.13Å; R154-I158 HydrophobicContact CG-CD1 4.13Å; R154-I158 VanDerWaalsContact O-CG1 3.31Å; R154-I158 WeakPolarHBondContact O-CG1 3.44Å; R154-I158 PolarHBondContact O-N 3.21Å; R154-D194 IonicContact NH2-OD2 2.9Å; R154-D194 PolarHBondContact NH2-OD2 3.02Å |
| 155 | K | 86.9 | Confident | 86.7 | Confident | 147 Ų | 147 | 75.2 Ų | 75.2 | 64% | 0.639 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58.9 | -41.3 | 176.1 | 60 | 173.9 | -172.6 | 178.5 | 0 | 112.8 | P153 I158 V159 | P153-K155 HydrophobicContact CB-CG 3.99Å; P153-K155 PolarHBondContact O-N 2.84Å; K155-I158 PolarHBondContact O-N 3.43Å; K155-V159 WeakPolarHBondContact O-CG2 3.48Å; K155-V159 PolarHBondContact O-N 2.97Å; K155-V159 VanDerWaalsContact O-N 3.13Å |
| 156 | D | 86.2 | Confident | 86.6 | Confident | 67 Ų | 67 | 72.4 Ų | 72.4 | 36% | 0.358 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -75.5 | -37.1 | -176.4 | -58.5 | -27.5 | 0 | 0 | 0 | 109.8 | V152 P153 R154 I158 V159 M160 | V152-D156 HydrophobicContact CG1-CB 3.87Å; P153-D156 WeakPolarHBondContact CD-OD2 3.45Å; P153-D156 WeakPolarHBondContact CG-OD2 3.47Å; P153-D156 PolarHBondContact O-N 3.21Å; R154-D156 VanDerWaalsContact C-N 3.33Å; R154-D156 PolarHBondContact O-N 2.96Å; D156-I158 PolarHBondContact O-N 3.39Å; D156-V159 PolarHBondContact O-N 3.35Å; D156-M160 WeakPolarHBondContact O-CG 3.46Å; D156-M160 PolarHBondContact O-N 2.84Å |
| 157 | L | 85.4 | Confident | 86.6 | Confident | 5 Ų | 5 | 74 Ų | 74 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 170 | -76.5 | 164.8 | 0 | 0 | 0 | 111.8 | A146 V152 P153 R154 V159 M160 L161 V188 L191 | A146-L157 HydrophobicContact CB-CD2 3.64Å; V152-L157 HydrophobicContact CB-CD1 4.34Å; V152-L157 HydrophobicContact CB-CD2 4.36Å; V152-L157 HydrophobicContact CB-CG 4.03Å; V152-L157 HydrophobicContact CG1-CD2 4.35Å; V152-L157 HydrophobicContact CG1-CG 3.89Å; P153-L157 PolarHBondContact O-N 3.34Å; R154-L157 PolarHBondContact O-N 3.13Å; L157-V159 VanDerWaalsContact C-N 3.3Å; L157-V159 PolarHBondContact O-N 3.46Å; L157-M160 PolarHBondContact O-N 3.14Å; L157-L161 WeakPolarHBondContact O-CB 3.4Å; L157-L161 WeakPolarHBondContact O-CG 3.48Å; L157-L161 PolarHBondContact O-N 2.93Å; L157-V188 HydrophobicContact CD1-CG2 3.9Å; L157-V188 HydrophobicContact CD2-CG1 4.4Å; L157-L191 HydrophobicContact CB-CD2 3.49Å; L157-L191 VanDerWaalsContact CB-CD2 3.49Å; L157-L191 HydrophobicContact CD1-CD2 4.16Å; L157-L191 HydrophobicContact CG-CD2 4.38Å |
| 158 | I | 85.7 | Confident | 86.6 | Confident | 45 Ų | 45 | 78.4 Ų | 78.4 | 23% | 0.231 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 177.8 | -70.8 | 164.9 | 0 | 0 | 0 | 111.2 | R154 K155 D156 L161 R162 L191 | R154-I158 HydrophobicContact CG-CD1 4.13Å; R154-I158 VanDerWaalsContact O-CG1 3.31Å; R154-I158 WeakPolarHBondContact O-CG1 3.44Å; R154-I158 PolarHBondContact O-N 3.21Å; K155-I158 PolarHBondContact O-N 3.43Å; D156-I158 PolarHBondContact O-N 3.39Å; I158-L161 PolarHBondContact O-N 3.01Å; I158-R162 PolarHBondContact O-N 3Å; I158-L191 HydrophobicContact CG1-CD1 4.07Å; I158-L191 HydrophobicContact CG1-CD2 4.31Å |
| 159 | V | 86.2 | Confident | 86.6 | Confident | 82 Ų | 82 | 81.7 Ų | 81.7 | 50% | 0.497 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 176.2 | 174 | 0 | 0 | 0 | 0 | 110.5 | K155 D156 L157 L161 R162 | K155-V159 WeakPolarHBondContact O-CG2 3.48Å; K155-V159 PolarHBondContact O-N 2.97Å; K155-V159 VanDerWaalsContact O-N 3.13Å; D156-V159 PolarHBondContact O-N 3.35Å; L157-V159 VanDerWaalsContact C-N 3.3Å; L157-V159 PolarHBondContact O-N 3.46Å; V159-L161 VanDerWaalsContact C-N 3.25Å; V159-L161 PolarHBondContact O-N 3.45Å; V159-R162 WeakPolarHBondContact O-CB 3.35Å; V159-R162 PolarHBondContact O-N 3.37Å |
| 160 | M | 85.9 | Confident | 86.8 | Confident | 52 Ų | 52 | 76.6 Ų | 76.6 | 26% | 0.256 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.1 | -37.6 | 177.7 | -69.3 | -178.7 | -165.8 | 0 | 0 | 112.9 | K142 A146 V152 D156 L157 R162 D163 T164 | K142-M160 HydrophobicContact CB-SD 4.45Å; A146-M160 HydrophobicContact CB-SD 4.02Å; V152-M160 HydrophobicContact CG1-CE 4.41Å; D156-M160 WeakPolarHBondContact O-CG 3.46Å; D156-M160 PolarHBondContact O-N 2.84Å; L157-M160 PolarHBondContact O-N 3.14Å; M160-R162 VanDerWaalsContact C-N 3.28Å; M160-R162 PolarHBondContact O-N 3.36Å; M160-D163 PolarHBondContact O-N 3.36Å; M160-T164 VanDerWaalsContact O-CB 3.22Å; M160-T164 WeakPolarHBondContact O-CB 3.36Å; M160-T164 PolarHBondContact O-N 2.85Å; M160-T164 VanDerWaalsContact O-N 3.16Å; M160-T164 PolarHBondContact O-OG1 3.19Å |
| 161 | L | 85.3 | Confident | 86.9 | Confident | 19 Ų | 19 | 82.6 Ų | 82.6 | 10% | 0.099 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -75.2 | -10.6 | 179.9 | -66 | 169.6 | 0 | 0 | 0 | 113.7 | L143 L157 I158 V159 M166 L191 L192 | L143-L161 HydrophobicContact CD1-CD2 3.59Å; L143-L161 HydrophobicContact CD1-CG 4.21Å; L143-L161 HydrophobicContact CD2-CD2 3.72Å; L143-L161 HydrophobicContact CG-CD2 4.32Å; L157-L161 WeakPolarHBondContact O-CB 3.4Å; L157-L161 WeakPolarHBondContact O-CG 3.48Å; L157-L161 PolarHBondContact O-N 2.93Å; I158-L161 PolarHBondContact O-N 3.01Å; V159-L161 VanDerWaalsContact C-N 3.25Å; V159-L161 PolarHBondContact O-N 3.45Å; L161-M166 HydrophobicContact CB-SD 4.43Å; L161-M166 HydrophobicContact CD1-CE 4.2Å; L161-M166 HydrophobicContact CD2-CB 4.33Å; L161-M166 HydrophobicContact CD2-CE 3.7Å; L161-M166 HydrophobicContact CD2-CG 3.55Å; L161-M166 HydrophobicContact CD2-SD 3.86Å; L161-L191 HydrophobicContact CD1-CD2 3.65Å; L161-L191 HydrophobicContact CD1-CG 3.8Å; L161-L192 HydrophobicContact CD2-CD2 3.84Å |
| 162 | R | 83.2 | Confident | 87.3 | Confident | 195 Ų | 195 | 77.3 Ų | 77.3 | 74% | 0.736 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -75.1 | -40.2 | 171.5 | -71.7 | -178.7 | -179.1 | -147.1 | 0.2 | 111.8 | I158 V159 M160 | I158-R162 PolarHBondContact O-N 3Å; V159-R162 WeakPolarHBondContact O-CB 3.35Å; V159-R162 PolarHBondContact O-N 3.37Å; M160-R162 VanDerWaalsContact C-N 3.28Å; M160-R162 PolarHBondContact O-N 3.36Å |
| 163 | D | 78 | Confident | 87.8 | Confident | 139 Ų | 139 | 80.9 Ų | 80.9 | 74% | 0.743 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -101.8 | -7.4 | -169.9 | -54.7 | -31.7 | 0 | 0 | 0 | 112.9 | M160 | M160-D163 PolarHBondContact O-N 3.36Å |
| 164 | T | 84.1 | Confident | 88.2 | Confident | 42 Ų | 42 | 77.8 Ų | 77.8 | 26% | 0.258 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -121.7 | 135.1 | -175.5 | -45.2 | 0 | 0 | 0 | 0 | 110.9 | L143 M160 M166 | L143-T164 HydrophobicContact CB-CG2 4.3Å; L143-T164 HydrophobicContact CD2-CG2 4.33Å; M160-T164 VanDerWaalsContact O-CB 3.22Å; M160-T164 WeakPolarHBondContact O-CB 3.36Å; M160-T164 PolarHBondContact O-N 2.85Å; M160-T164 VanDerWaalsContact O-N 3.16Å; M160-T164 PolarHBondContact O-OG1 3.19Å; T164-M166 PolarHBondContact O-N 2.84Å; T164-M166 VanDerWaalsContact O-N 3.17Å |
| 165 | D | 88.5 | Confident | 88.7 | Confident | 99 Ų | 99 | 72.3 Ų | 72.3 | 53% | 0.529 | 34% | 0.339 | S | S | . | . | trans | -60.7 | 117.9 | 166.6 | 178.1 | 7.3 | 0 | 0 | 0 | 110.1 | N167 K168 | D165-N167 PolarHBondContact O-N 3.16Å; D165-N167 PolarHBondContact OD1-N 3.09Å; D165-K168 HydrophobicContact CB-CB 4.3Å; D165-K168 WeakPolarHBondContact O-CB 3.36Å; D165-K168 PolarHBondContact O-N 3.15Å | ||
| 166 | M | 88.3 | Confident | 89.1 | Confident | 26 Ų | 26 | 65.3 Ų | 65.3 | 13% | 0.128 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -26.1 | -179.2 | -56.4 | -167.7 | 47.2 | 0 | 0 | 113.2 | L161 T164 K168 L192 R195 C197 | L161-M166 HydrophobicContact CB-SD 4.43Å; L161-M166 HydrophobicContact CD1-CE 4.2Å; L161-M166 HydrophobicContact CD2-CB 4.33Å; L161-M166 HydrophobicContact CD2-CE 3.7Å; L161-M166 HydrophobicContact CD2-CG 3.55Å; L161-M166 HydrophobicContact CD2-SD 3.86Å; T164-M166 PolarHBondContact O-N 2.84Å; T164-M166 VanDerWaalsContact O-N 3.17Å; M166-K168 VanDerWaalsContact C-N 3.35Å; M166-L192 HydrophobicContact CE-CB 4.26Å; M166-L192 HydrophobicContact CE-CD2 3.46Å; M166-L192 VanDerWaalsContact CE-CD2 3.46Å; M166-L192 HydrophobicContact CE-CG 4.44Å; M166-R195 HydrophobicContact CE-CB 3.32Å; M166-R195 HydrophobicContact CE-CG 3.95Å; M166-R195 HydrophobicContact SD-CB 3.46Å; M166-R195 WeakPolarHBondContact SD-CB 3.41Å; M166-R195 HydrophobicContact SD-CG 4Å; M166-C197 HydrophobicContact CE-CB 4.29Å |
| 167 | N | 92.4 | Very high | 89.7 | Confident | 36 Ų | 36 | 62.3 Ų | 62.3 | 19% | 0.193 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 7 | 179.5 | -56.3 | -54.1 | 0 | 0 | 0 | 112.1 | D165 R169 Q198 | D165-N167 PolarHBondContact O-N 3.16Å; D165-N167 PolarHBondContact OD1-N 3.09Å; N167-R169 PolarHBondContact O-N 3.05Å; N167-Q198 PolarHBondContact OD1-N 3.2Å |
| 168 | K | 92.8 | Very high | 90.3 | Very high | 93 Ų | 93 | 62.1 Ų | 62.1 | 40% | 0.404 | 29% | 0.292 | S | S | . | . | trans | -54.8 | 134.4 | 176.5 | -170.5 | 176.2 | -173.5 | -172.4 | 0 | 110.2 | D141 H144 D165 M166 | D141-K168 VanDerWaalsContact OD2-CD 3.31Å; D141-K168 WeakPolarHBondContact OD2-CD 3.42Å; D141-K168 WeakPolarHBondContact OD2-CE 3.46Å; D141-K168 IonicContact OD2-NZ 3.75Å; D141-K168 PolarHBondContact OD2-NZ 3Å; H144-K168 PolarHBondContact CE1-O 3.09Å; H144-K168 VanDerWaalsContact CE1-O 3.28Å; H144-K168 PolarHBondContact NE2-O 3.43Å; D165-K168 HydrophobicContact CB-CB 4.3Å; D165-K168 WeakPolarHBondContact O-CB 3.36Å; D165-K168 PolarHBondContact O-N 3.15Å; M166-K168 VanDerWaalsContact C-N 3.35Å | ||
| 169 | R | 93.4 | Very high | 90.8 | Very high | 117 Ų | 117 | 60 Ų | 60 | 44% | 0.442 | 28% | 0.281 | S | S | . | . | trans | -101.3 | 137.6 | -178.5 | -62.8 | 172.3 | 79.2 | -176.7 | 18 | 109.8 | N167 K173 R174 T175 V201 L202 | N167-R169 PolarHBondContact O-N 3.05Å; R169-K173 PolarHBondContact NE-O 3.48Å; R169-K173 VanDerWaalsContact NH2-CB 3.33Å; R169-R174 WeakPolarHBondContact CA-O 3.47Å; R169-T175 HydrophobicContact CG-CG2 4.18Å; R169-V201 HydrophobicContact CG-CG1 4.45Å; R169-L202 PolarHBondContact NH2-O 3.21Å | ||
| 170 | D | 91.8 | Very high | 91.3 | Very high | 16 Ų | 16 | 56 Ų | 56 | 9% | 0.086 | 26% | 0.257 | C | S | . | . | trans | -77.8 | -176.7 | 168.7 | 71.5 | 6.5 | 0 | 0 | 0 | 111.3 | E172 K173 R174 | D170-E172 PolarHBondContact O-N 2.96Å; D170-E172 VanDerWaalsContact OD1-C 3.27Å; D170-E172 WeakPolarHBondContact OD1-CA 3.36Å; D170-E172 PolarHBondContact OD1-N 2.64Å; D170-K173 WeakPolarHBondContact O-CA 3.32Å; D170-K173 PolarHBondContact O-N 2.88Å; D170-K173 PolarHBondContact OD1-N 3.3Å; D170-K173 VanDerWaalsContact OD1-N 3.16Å; D170-R174 PolarHBondContact N-O 3.39Å; D170-R174 WeakPolarHBondContact OD1-CB 3.44Å; D170-R174 PolarHBondContact OD1-N 3.22Å; D170-R174 IonicContact OD1-NE 3.61Å; D170-R174 IonicContact OD2-CZ 2.64Å; D170-R174 IonicContact OD2-NE 2.8Å; D170-R174 PolarHBondContact OD2-NE 3.27Å; D170-R174 IonicContact OD2-NH2 2.73Å; D170-R174 PolarHBondContact OD2-NH2 2.85Å | ||
| 171 | K | 90.7 | Very high | 91.8 | Very high | 141 Ų | 141 | 53.6 Ų | 53.6 | 61% | 0.613 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -26.9 | 179.1 | -61.6 | 179.9 | -169.3 | 161.2 | 0 | 113.2 | D139 K173 | D139-K171 IonicContact OD1-NZ 3.24Å; D139-K171 PolarHBondContact OD1-NZ 3.13Å; K171-K173 PolarHBondContact O-N 2.91Å |
| 172 | E | 91.2 | Very high | 92.4 | Very high | 88 Ų | 88 | 52.7 Ų | 52.7 | 41% | 0.411 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 15.4 | 176.7 | -65.7 | -57.6 | 139.8 | 0 | 0 | 112.7 | D170 R174 N204 | D170-E172 PolarHBondContact O-N 2.96Å; D170-E172 VanDerWaalsContact OD1-C 3.27Å; D170-E172 WeakPolarHBondContact OD1-CA 3.36Å; D170-E172 PolarHBondContact OD1-N 2.64Å; E172-R174 HydrophobicContact CB-CG 4.02Å; E172-R174 PolarHBondContact O-N 2.95Å; E172-R174 VanDerWaalsContact O-N 3.17Å; E172-N204 WeakPolarHBondContact CA-ND2 3.44Å; E172-N204 WeakPolarHBondContact O-CB 3.49Å; E172-N204 PolarHBondContact O-N 3.35Å; E172-N204 PolarHBondContact OE2-ND2 2.89Å |
| 173 | K | 94.9 | Very high | 92.9 | Very high | 102 Ų | 102 | 45 Ų | 45 | 44% | 0.443 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 63.5 | 12.9 | -179 | -73.8 | -178.3 | -158.6 | 168.7 | 0 | 114.7 | R169 D170 K171 N204 | R169-K173 PolarHBondContact NE-O 3.48Å; R169-K173 VanDerWaalsContact NH2-CB 3.33Å; D170-K173 WeakPolarHBondContact O-CA 3.32Å; D170-K173 PolarHBondContact O-N 2.88Å; D170-K173 PolarHBondContact OD1-N 3.3Å; D170-K173 VanDerWaalsContact OD1-N 3.16Å; K171-K173 PolarHBondContact O-N 2.91Å; K173-N204 WeakPolarHBondContact CB-OD1 3.37Å; K173-N204 WeakPolarHBondContact CD-OD1 3.31Å; K173-N204 VanDerWaalsContact CE-OD1 3.24Å; K173-N204 WeakPolarHBondContact CE-OD1 3.49Å; K173-N204 WeakPolarHBondContact CG-OD1 3.5Å |
| 174 | R | 95.6 | Very high | 93.7 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 2% | 0.023 | 19% | 0.189 | C | C | . | . | trans | -84.2 | 140.5 | -177 | -53.8 | 173.2 | -61.1 | -151.2 | -1.6 | 110.8 | Y133 H134 H144 R169 D170 E172 H178 L179 D203 | Y133-R174 HydrophobicContact CE1-CG 4.04Å; H134-R174 PolarHBondContact O-NH1 3.49Å; H144-R174 PolarHBondContact NE2-O 3.3Å; R169-R174 WeakPolarHBondContact CA-O 3.47Å; D170-R174 PolarHBondContact N-O 3.39Å; D170-R174 WeakPolarHBondContact OD1-CB 3.44Å; D170-R174 PolarHBondContact OD1-N 3.22Å; D170-R174 IonicContact OD1-NE 3.61Å; D170-R174 IonicContact OD2-CZ 2.64Å; D170-R174 IonicContact OD2-NE 2.8Å; D170-R174 PolarHBondContact OD2-NE 3.27Å; D170-R174 IonicContact OD2-NH2 2.73Å; D170-R174 PolarHBondContact OD2-NH2 2.85Å; E172-R174 HydrophobicContact CB-CG 4.02Å; E172-R174 PolarHBondContact O-N 2.95Å; E172-R174 VanDerWaalsContact O-N 3.17Å; R174-H178 HydrophobicContact CB-CB 4.14Å; R174-L179 HydrophobicContact CB-CD2 4.49Å; R174-D203 HydrophobicContact CG-CB 4Å | ||
| 175 | T | 96.5 | Very high | 94.3 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | trans | -91.1 | 168.4 | 169.4 | 65.5 | 0 | 0 | 0 | 0 | 110.9 | R169 L177 H178 L179 V201 | R169-T175 HydrophobicContact CG-CG2 4.18Å; T175-L177 PolarHBondContact O-N 3.35Å; T175-L177 PolarHBondContact OG1-N 3.2Å; T175-H178 PolarHBondContact N-ND1 3.23Å; T175-H178 WeakPolarHBondContact O-CB 3.37Å; T175-H178 PolarHBondContact O-N 2.98Å; T175-H178 VanDerWaalsContact O-N 3.11Å; T175-H178 PolarHBondContact OG1-N 2.91Å; T175-H178 PolarHBondContact OG1-ND1 3.37Å; T175-L179 PolarHBondContact O-N 3.5Å; T175-V201 HydrophobicContact CG2-CB 3.91Å; T175-V201 HydrophobicContact CG2-CG1 3.62Å; T175-V201 HydrophobicContact CG2-CG2 4.19Å | ||
| 176 | A | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.5 | -36.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112 | L143 A147 H178 L179 A180 L192 | L143-A176 HydrophobicContact CD1-CB 4.47Å; L143-A176 HydrophobicContact CD2-CB 3.92Å; L143-A176 HydrophobicContact CG-CB 3.76Å; A147-A176 HydrophobicContact CB-CB 3.88Å; A147-A176 VanDerWaalsContact CB-O 3.28Å; A147-A176 WeakPolarHBondContact CB-O 3.35Å; A176-H178 VanDerWaalsContact C-N 3.35Å; A176-H178 PolarHBondContact O-N 3.22Å; A176-L179 PolarHBondContact O-N 3.43Å; A176-A180 PolarHBondContact O-N 3.2Å; A176-L192 HydrophobicContact CB-CD1 4.04Å; A176-L192 HydrophobicContact CB-CD2 4.42Å |
| 177 | L | 97.8 | Very high | 95 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61 | -41.4 | 177.4 | -171.5 | 67.8 | 0 | 0 | 0 | 112.1 | T175 L179 S181 V189 L192 L199 A209 L225 | T175-L177 PolarHBondContact O-N 3.35Å; T175-L177 PolarHBondContact OG1-N 3.2Å; L177-L179 VanDerWaalsContact C-N 3.34Å; L177-L179 PolarHBondContact O-N 3.19Å; L177-S181 WeakPolarHBondContact O-CB 3.28Å; L177-S181 PolarHBondContact O-N 3.05Å; L177-S181 PolarHBondContact O-OG 3.34Å; L177-V189 HydrophobicContact CD1-CG1 4.11Å; L177-V189 HydrophobicContact CD1-CG2 4.5Å; L177-L192 HydrophobicContact CB-CD1 4.1Å; L177-L192 HydrophobicContact CD1-CB 4.19Å; L177-L192 HydrophobicContact CD1-CD1 4.07Å; L177-L199 HydrophobicContact CD2-CD2 4.03Å; L177-A209 HydrophobicContact CB-CB 4.38Å; L177-A209 HydrophobicContact CD2-CB 3.83Å; L177-A209 HydrophobicContact CG-CB 3.71Å; L177-L225 HydrophobicContact CD1-CD2 4.15Å; L177-L225 HydrophobicContact CD2-CD2 3.94Å; L177-L225 HydrophobicContact CG-CD2 4.28Å |
| 178 | H | 97.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.9 | -45.4 | 176.7 | -72.9 | 86.1 | 0 | 0 | 0 | 111.9 | Y133 R174 T175 A176 A182 V201 R207 A209 | Y133-H178 HydrophobicContact CE2-CB 4.1Å; Y133-H178 PolarHBondContact OH-CD2 2.92Å; R174-H178 HydrophobicContact CB-CB 4.14Å; T175-H178 PolarHBondContact N-ND1 3.23Å; T175-H178 WeakPolarHBondContact O-CB 3.37Å; T175-H178 PolarHBondContact O-N 2.98Å; T175-H178 VanDerWaalsContact O-N 3.11Å; T175-H178 PolarHBondContact OG1-N 2.91Å; T175-H178 PolarHBondContact OG1-ND1 3.37Å; A176-H178 VanDerWaalsContact C-N 3.35Å; A176-H178 PolarHBondContact O-N 3.22Å; H178-A182 VanDerWaalsContact O-CB 3.25Å; H178-A182 WeakPolarHBondContact O-CB 3.39Å; H178-A182 PolarHBondContact O-N 3.02Å; H178-V201 PolarHBondContact CE1-O 3.14Å; H178-V201 PolarHBondContact NE2-O 2.97Å; H178-V201 VanDerWaalsContact NE2-O 3.09Å; H178-R207 PolarHBondContact NE2-O 3.05Å; H178-R207 VanDerWaalsContact NE2-O 3.11Å; H178-A209 PolarHBondContact CD2-N 2.82Å; H178-A209 PolarHBondContact NE2-N 3.28Å |
| 179 | L | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.6 | -43.9 | -176.8 | -61.3 | -179.2 | 0 | 0 | 0 | 111.8 | Y133 I135 L140 H144 A147 W148 R174 T175 A176 L177 N183 | Y133-L179 HydrophobicContact CD2-CD2 3.78Å; Y133-L179 HydrophobicContact CE2-CD2 4.14Å; Y133-L179 HydrophobicContact CG-CD2 4.43Å; I135-L179 HydrophobicContact CD1-CD2 3.55Å; L140-L179 HydrophobicContact CD1-CD1 4.18Å; L140-L179 HydrophobicContact CD2-CD1 3.89Å; H144-L179 HydrophobicContact CB-CD1 3.54Å; H144-L179 WeakPolarHBondContact O-CD1 3.47Å; A147-L179 HydrophobicContact CB-CB 4.29Å; W148-L179 HydrophobicContact CB-CB 4.44Å; W148-L179 HydrophobicContact CE3-CB 4.22Å; W148-L179 HydrophobicContact CE3-CD2 3.91Å; W148-L179 HydrophobicContact CZ3-CD2 4.28Å; R174-L179 HydrophobicContact CB-CD2 4.49Å; T175-L179 PolarHBondContact O-N 3.5Å; A176-L179 PolarHBondContact O-N 3.43Å; L177-L179 VanDerWaalsContact C-N 3.34Å; L177-L179 PolarHBondContact O-N 3.19Å; L179-N183 WeakPolarHBondContact O-CB 3.49Å; L179-N183 PolarHBondContact O-N 3.46Å |
| 180 | A | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.4 | -45.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A147 A176 N183 G184 N185 V188 V189 | A147-A180 HydrophobicContact CB-CB 4.07Å; A147-A180 VanDerWaalsContact O-CA 3.24Å; A147-A180 WeakPolarHBondContact O-CA 3.32Å; A147-A180 PolarHBondContact O-N 3.09Å; A176-A180 PolarHBondContact O-N 3.2Å; A180-N183 PolarHBondContact O-N 3.13Å; A180-G184 PolarHBondContact O-N 2.98Å; A180-G184 VanDerWaalsContact O-N 3.13Å; A180-N185 HydrophobicContact CB-CB 4.22Å; A180-N185 PolarHBondContact O-N 3.43Å; A180-V188 HydrophobicContact CB-CB 4.02Å; A180-V188 HydrophobicContact CB-CG1 4.03Å; A180-V189 HydrophobicContact CB-CG2 3.67Å |
| 181 | S | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.7 | -38.2 | -179 | -55.6 | 0 | 0 | 0 | 0 | 112.4 | L177 N183 | L177-S181 WeakPolarHBondContact O-CB 3.28Å; L177-S181 PolarHBondContact O-N 3.05Å; L177-S181 PolarHBondContact O-OG 3.34Å; S181-N183 VanDerWaalsContact C-N 3.25Å; S181-N183 PolarHBondContact O-N 3.09Å |
| 182 | A | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -71.4 | -18.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R132 Y133 H178 K212 C216 | R132-A182 PolarHBondContact NH1-O 2.97Å; Y133-A182 HydrophobicContact CD2-CB 3.78Å; Y133-A182 HydrophobicContact CE2-CB 3.77Å; H178-A182 VanDerWaalsContact O-CB 3.25Å; H178-A182 WeakPolarHBondContact O-CB 3.39Å; H178-A182 PolarHBondContact O-N 3.02Å; A182-K212 HydrophobicContact CB-CB 4.3Å; A182-C216 WeakPolarHBondContact O-CB 3.42Å; A182-C216 PolarHBondContact O-SG 3.21Å |
| 183 | N | 94.8 | Very high | 96 | Very high | 33 Ų | 33 | 20.6 Ų | 20.6 | 18% | 0.176 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 5.3 | -178.2 | -77 | 16.5 | 0 | 0 | 0 | 113.6 | W148 L179 A180 S181 N185 | W148-N183 WeakPolarHBondContact CZ3-ND2 3.35Å; W148-N183 VanDerWaalsContact CZ3-OD1 3.24Å; W148-N183 WeakPolarHBondContact CZ3-OD1 3.37Å; W148-N183 PolarHBondContact O-ND2 3.37Å; L179-N183 WeakPolarHBondContact O-CB 3.49Å; L179-N183 PolarHBondContact O-N 3.46Å; A180-N183 PolarHBondContact O-N 3.13Å; S181-N183 VanDerWaalsContact C-N 3.25Å; S181-N183 PolarHBondContact O-N 3.09Å; N183-N185 PolarHBondContact O-N 3.17Å |
| 184 | G | 95.4 | Very high | 95.9 | Very high | 22 Ų | 22 | 19.6 Ų | 19.6 | 23% | 0.227 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 21.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A180 S186 E218 | A180-G184 PolarHBondContact O-N 2.98Å; A180-G184 VanDerWaalsContact O-N 3.13Å; G184-S186 PolarHBondContact O-N 3.21Å; G184-E218 WeakPolarHBondContact CA-OE2 3.4Å |
| 185 | N | 96.4 | Very high | 95.8 | Very high | 31 Ų | 31 | 25.9 Ų | 25.9 | 17% | 0.166 | 13% | 0.129 | C | C | . | . | trans | -80.7 | 69.6 | -178.5 | -66.2 | -36.8 | 0 | 0 | 0 | 110.3 | A147 W148 G150 A180 N183 E187 V188 V189 | A147-N185 PolarHBondContact O-ND2 3.39Å; W148-N185 PolarHBondContact O-ND2 3.18Å; G150-N185 VanDerWaalsContact CA-CG 3.42Å; G150-N185 WeakPolarHBondContact CA-OD1 3.47Å; G150-N185 PolarHBondContact N-ND2 2.91Å; A180-N185 HydrophobicContact CB-CB 4.22Å; A180-N185 PolarHBondContact O-N 3.43Å; N183-N185 PolarHBondContact O-N 3.17Å; N185-E187 VanDerWaalsContact C-N 3.32Å; N185-E187 PolarHBondContact O-N 3.18Å; N185-V188 HydrophobicContact CB-CB 4.33Å; N185-V188 HydrophobicContact CB-CG2 4.17Å; N185-V188 PolarHBondContact O-N 3.18Å; N185-V189 PolarHBondContact O-N 2.81Å | ||
| 186 | S | 95.9 | Very high | 95.6 | Very high | 22 Ų | 22 | 36.7 Ų | 36.7 | 15% | 0.154 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.6 | -37.2 | -169.8 | 52.5 | 0 | 0 | 0 | 0 | 113.7 | G184 V188 V189 Q190 E220 M224 | G184-S186 PolarHBondContact O-N 3.21Å; S186-V188 VanDerWaalsContact C-N 3.3Å; S186-V188 PolarHBondContact O-N 3.03Å; S186-V189 PolarHBondContact O-N 3.05Å; S186-Q190 WeakPolarHBondContact O-CB 3.34Å; S186-Q190 PolarHBondContact O-N 2.98Å; S186-E220 VanDerWaalsContact CB-CD 3.45Å; S186-E220 WeakPolarHBondContact CB-OE2 3.37Å; S186-E220 PolarHBondContact OG-OE2 3.19Å; S186-M224 VanDerWaalsContact CB-CE 3.47Å |
| 187 | E | 94.4 | Very high | 95.5 | Very high | 137 Ų | 137 | 37.2 Ų | 37.2 | 64% | 0.64 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -60.7 | -38.2 | 175.1 | -64.1 | -173.3 | 174.3 | 0 | 0 | 113 | N185 L191 | N185-E187 VanDerWaalsContact C-N 3.32Å; N185-E187 PolarHBondContact O-N 3.18Å; E187-L191 PolarHBondContact O-N 3.11Å; E187-L191 VanDerWaalsContact O-N 3.13Å |
| 188 | V | 95.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.7 | -43.2 | 176.8 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | A147 L157 A180 N185 S186 Q190 L191 L192 | A147-V188 HydrophobicContact CB-CG1 4.13Å; L157-V188 HydrophobicContact CD1-CG2 3.9Å; L157-V188 HydrophobicContact CD2-CG1 4.4Å; A180-V188 HydrophobicContact CB-CB 4.02Å; A180-V188 HydrophobicContact CB-CG1 4.03Å; N185-V188 HydrophobicContact CB-CB 4.33Å; N185-V188 HydrophobicContact CB-CG2 4.17Å; N185-V188 PolarHBondContact O-N 3.18Å; S186-V188 VanDerWaalsContact C-N 3.3Å; S186-V188 PolarHBondContact O-N 3.03Å; V188-Q190 PolarHBondContact O-N 2.94Å; V188-L191 PolarHBondContact O-N 3.47Å; V188-L192 HydrophobicContact CG1-CD1 4.1Å; V188-L192 HydrophobicContact CG1-CG 4.28Å; V188-L192 VanDerWaalsContact O-CG 3.26Å; V188-L192 WeakPolarHBondContact O-CG 3.38Å; V188-L192 PolarHBondContact O-N 2.93Å |
| 189 | V | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56 | -52 | 174.7 | 173.5 | 0 | 0 | 0 | 0 | 110.1 | L177 A180 N185 S186 L191 L192 L193 C221 M224 | L177-V189 HydrophobicContact CD1-CG1 4.11Å; L177-V189 HydrophobicContact CD1-CG2 4.5Å; A180-V189 HydrophobicContact CB-CG2 3.67Å; N185-V189 PolarHBondContact O-N 2.81Å; S186-V189 PolarHBondContact O-N 3.05Å; V189-L191 VanDerWaalsContact C-N 3.32Å; V189-L191 PolarHBondContact O-N 3.45Å; V189-L192 PolarHBondContact O-N 3.3Å; V189-L192 VanDerWaalsContact O-N 3.09Å; V189-L193 HydrophobicContact CG1-CD1 3.67Å; V189-L193 HydrophobicContact CG1-CG 4.14Å; V189-L193 VanDerWaalsContact O-CG 3.24Å; V189-L193 WeakPolarHBondContact O-CG 3.43Å; V189-L193 PolarHBondContact O-N 3Å; V189-C221 HydrophobicContact CG2-CB 4.49Å; V189-M224 HydrophobicContact CB-CE 3.84Å; V189-M224 HydrophobicContact CG1-CB 4.48Å; V189-M224 HydrophobicContact CG1-CE 3.73Å |
| 190 | Q | 95.6 | Very high | 95.6 | Very high | 60 Ų | 60 | 47.3 Ų | 47.3 | 28% | 0.28 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -54.8 | -46.8 | 178.3 | -174.6 | 62.9 | 56 | 0 | 0 | 111.8 | S186 V188 L192 L193 D194 M224 | S186-Q190 WeakPolarHBondContact O-CB 3.34Å; S186-Q190 PolarHBondContact O-N 2.98Å; V188-Q190 PolarHBondContact O-N 2.94Å; Q190-L192 PolarHBondContact O-N 3.22Å; Q190-L193 PolarHBondContact O-N 3.01Å; Q190-D194 PolarHBondContact NE2-OD1 2.96Å; Q190-D194 WeakPolarHBondContact O-CB 3.21Å; Q190-D194 PolarHBondContact O-N 3.42Å; Q190-M224 HydrophobicContact CB-SD 4.05Å; Q190-M224 PolarHBondContact OE1-SD 2.88Å; Q190-M224 VanDerWaalsContact OE1-SD 3.35Å |
| 191 | L | 94.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -39.9 | 178.4 | -179.6 | 64.7 | 0 | 0 | 0 | 112.8 | L157 I158 L161 E187 V188 V189 L193 R195 | L157-L191 HydrophobicContact CB-CD2 3.49Å; L157-L191 VanDerWaalsContact CB-CD2 3.49Å; L157-L191 HydrophobicContact CD1-CD2 4.16Å; L157-L191 HydrophobicContact CG-CD2 4.38Å; I158-L191 HydrophobicContact CG1-CD1 4.07Å; I158-L191 HydrophobicContact CG1-CD2 4.31Å; L161-L191 HydrophobicContact CD1-CD2 3.65Å; L161-L191 HydrophobicContact CD1-CG 3.8Å; E187-L191 PolarHBondContact O-N 3.11Å; E187-L191 VanDerWaalsContact O-N 3.13Å; V188-L191 PolarHBondContact O-N 3.47Å; V189-L191 VanDerWaalsContact C-N 3.32Å; V189-L191 PolarHBondContact O-N 3.45Å; L191-L193 VanDerWaalsContact C-N 3.33Å; L191-R195 WeakPolarHBondContact O-CG 3.33Å; L191-R195 PolarHBondContact O-N 3.21Å |
| 192 | L | 95.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.5 | -39 | 177.1 | -67 | 173.7 | 0 | 0 | 0 | 111.1 | L161 M166 A176 L177 V188 V189 Q190 R195 R196 C197 | L161-L192 HydrophobicContact CD2-CD2 3.84Å; M166-L192 HydrophobicContact CE-CB 4.26Å; M166-L192 HydrophobicContact CE-CD2 3.46Å; M166-L192 VanDerWaalsContact CE-CD2 3.46Å; M166-L192 HydrophobicContact CE-CG 4.44Å; A176-L192 HydrophobicContact CB-CD1 4.04Å; A176-L192 HydrophobicContact CB-CD2 4.42Å; L177-L192 HydrophobicContact CB-CD1 4.1Å; L177-L192 HydrophobicContact CD1-CB 4.19Å; L177-L192 HydrophobicContact CD1-CD1 4.07Å; V188-L192 HydrophobicContact CG1-CD1 4.1Å; V188-L192 HydrophobicContact CG1-CG 4.28Å; V188-L192 VanDerWaalsContact O-CG 3.26Å; V188-L192 WeakPolarHBondContact O-CG 3.38Å; V188-L192 PolarHBondContact O-N 2.93Å; V189-L192 PolarHBondContact O-N 3.3Å; V189-L192 VanDerWaalsContact O-N 3.09Å; Q190-L192 PolarHBondContact O-N 3.22Å; L192-R195 PolarHBondContact O-N 2.9Å; L192-R196 PolarHBondContact O-N 3.25Å; L192-C197 HydrophobicContact CB-CB 4.47Å; L192-C197 WeakPolarHBondContact O-CB 3.37Å; L192-C197 PolarHBondContact O-N 2.96Å; L192-C197 PolarHBondContact O-SG 3.11Å; L192-C197 VanDerWaalsContact O-SG 3.35Å |
| 193 | L | 96 | Very high | 95.6 | Very high | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.2 | -44 | 176.9 | -66.1 | 176.7 | 0 | 0 | 0 | 112.4 | V189 Q190 L191 R195 R196 L199 M224 L225 H228 | V189-L193 HydrophobicContact CG1-CD1 3.67Å; V189-L193 HydrophobicContact CG1-CG 4.14Å; V189-L193 VanDerWaalsContact O-CG 3.24Å; V189-L193 WeakPolarHBondContact O-CG 3.43Å; V189-L193 PolarHBondContact O-N 3Å; Q190-L193 PolarHBondContact O-N 3.01Å; L191-L193 VanDerWaalsContact C-N 3.33Å; L193-R195 PolarHBondContact O-N 3.49Å; L193-R195 VanDerWaalsContact O-N 3.08Å; L193-R196 WeakPolarHBondContact O-CA 3.27Å; L193-R196 PolarHBondContact O-N 3.15Å; L193-L199 HydrophobicContact CD2-CD2 3.22Å; L193-M224 HydrophobicContact CD1-CB 3.83Å; L193-L225 HydrophobicContact CD2-CD2 4.17Å; L193-H228 HydrophobicContact CD1-CB 4.46Å; L193-H228 HydrophobicContact CD2-CB 4.07Å |
| 194 | D | 93.8 | Very high | 95.6 | Very high | 81 Ų | 81 | 52.3 Ų | 52.3 | 43% | 0.433 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -54.5 | -31.5 | 175.3 | -68.5 | -18.2 | 0 | 0 | 0 | 111.6 | R154 Q190 | R154-D194 IonicContact NH2-OD2 2.9Å; R154-D194 PolarHBondContact NH2-OD2 3.02Å; Q190-D194 PolarHBondContact NE2-OD1 2.96Å; Q190-D194 WeakPolarHBondContact O-CB 3.21Å; Q190-D194 PolarHBondContact O-N 3.42Å |
| 195 | R | 92.1 | Very high | 95.5 | Very high | 137 Ų | 137 | 54 Ų | 54 | 52% | 0.517 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 7.1 | 179.4 | -67 | -73.3 | -174.6 | -173.9 | -1.5 | 113.9 | M166 L191 L192 L193 | M166-R195 HydrophobicContact CE-CB 3.32Å; M166-R195 HydrophobicContact CE-CG 3.95Å; M166-R195 HydrophobicContact SD-CB 3.46Å; M166-R195 WeakPolarHBondContact SD-CB 3.41Å; M166-R195 HydrophobicContact SD-CG 4Å; L191-R195 WeakPolarHBondContact O-CG 3.33Å; L191-R195 PolarHBondContact O-N 3.21Å; L192-R195 PolarHBondContact O-N 2.9Å; L193-R195 PolarHBondContact O-N 3.49Å; L193-R195 VanDerWaalsContact O-N 3.08Å |
| 196 | R | 92.7 | Very high | 95.5 | Very high | 230 Ų | 230 | 58.1 Ų | 58.1 | 87% | 0.868 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 45.9 | 177.7 | -53.8 | -176.2 | 177.7 | -167.8 | -1 | 113.5 | L192 L193 | L192-R196 PolarHBondContact O-N 3.25Å; L193-R196 WeakPolarHBondContact O-CA 3.27Å; L193-R196 PolarHBondContact O-N 3.15Å |
| 197 | C | 94.4 | Very high | 95.6 | Very high | 11 Ų | 11 | 57.8 Ų | 57.8 | 7% | 0.074 | 26% | 0.263 | C | S | . | . | trans | -60.7 | 159.8 | 170.5 | 70.4 | 0 | 0 | 0 | 0 | 111.9 | M166 L192 L199 | M166-C197 HydrophobicContact CE-CB 4.29Å; L192-C197 HydrophobicContact CB-CB 4.47Å; L192-C197 WeakPolarHBondContact O-CB 3.37Å; L192-C197 PolarHBondContact O-N 2.96Å; L192-C197 PolarHBondContact O-SG 3.11Å; L192-C197 VanDerWaalsContact O-SG 3.35Å; C197-L199 PolarHBondContact O-N 3.3Å | ||
| 198 | Q | 97.2 | Very high | 95.8 | Very high | 120 Ų | 120 | 51.3 Ų | 51.3 | 56% | 0.561 | 23% | 0.232 | S | C | * | . | trans | -73.7 | 120.1 | 176.5 | -66.7 | 179.2 | 12.4 | 0 | 0 | 110.2 | N167 V201 | N167-Q198 PolarHBondContact OD1-N 3.2Å; Q198-V201 HydrophobicContact CB-CG2 3.49Å; Q198-V201 VanDerWaalsContact CB-CG2 3.49Å | ||
| 199 | L | 97.3 | Very high | 95.9 | Very high | 26 Ų | 26 | 51.2 Ų | 51.2 | 14% | 0.136 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -31.4 | -175.1 | -52.2 | -175.7 | 0 | 0 | 0 | 113.4 | L177 L193 C197 L225 H228 A230 | L177-L199 HydrophobicContact CD2-CD2 4.03Å; L193-L199 HydrophobicContact CD2-CD2 3.22Å; C197-L199 PolarHBondContact O-N 3.3Å; L199-L225 HydrophobicContact CD2-CD2 4.46Å; L199-H228 HydrophobicContact CD1-CB 4.06Å; L199-H228 WeakPolarHBondContact CD1-O 3.41Å; L199-A230 HydrophobicContact CB-CB 4.13Å; L199-A230 HydrophobicContact CD1-CB 4.15Å |
| 200 | N | 97.6 | Very high | 96 | Very high | 69 Ų | 69 | 51.2 Ų | 51.2 | 37% | 0.369 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 22.2 | -168.7 | -62.4 | -21.9 | 0 | 0 | 0 | 112.8 | D231 I234 | N200-D231 WeakPolarHBondContact OD1-CB 3.42Å; N200-D231 PolarHBondContact OD1-N 3Å; N200-I234 HydrophobicContact CB-CD1 3.6Å |
| 201 | V | 97.9 | Very high | 96.1 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 10% | 0.097 | 22% | 0.219 | C | C | . | . | trans | -68.7 | 144.7 | 172.6 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | R169 T175 H178 Q198 | R169-V201 HydrophobicContact CG-CG1 4.45Å; T175-V201 HydrophobicContact CG2-CB 3.91Å; T175-V201 HydrophobicContact CG2-CG1 3.62Å; T175-V201 HydrophobicContact CG2-CG2 4.19Å; H178-V201 PolarHBondContact CE1-O 3.14Å; H178-V201 PolarHBondContact NE2-O 2.97Å; H178-V201 VanDerWaalsContact NE2-O 3.09Å; Q198-V201 HydrophobicContact CB-CG2 3.49Å; Q198-V201 VanDerWaalsContact CB-CG2 3.49Å | ||
| 202 | L | 97.8 | Very high | 96.2 | Very high | 56 Ų | 56 | 48.2 Ų | 48.2 | 29% | 0.293 | 22% | 0.218 | S | C | . | . | trans | -107 | 134.7 | -176 | -50.8 | -177.4 | 0 | 0 | 0 | 111.6 | R169 K206 R207 T208 I234 | R169-L202 PolarHBondContact NH2-O 3.21Å; L202-K206 HydrophobicContact CD1-CB 4.37Å; L202-R207 WeakPolarHBondContact CA-O 3.19Å; L202-T208 HydrophobicContact CD2-CG2 3.75Å; L202-I234 HydrophobicContact CD2-CG2 3.8Å | ||
| 203 | D | 95.8 | Very high | 96.3 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | trans | -71.9 | -178.1 | 167.4 | 82.8 | -7.1 | 0 | 0 | 0 | 112.1 | Y133 R174 K205 K206 R207 | Y133-D203 WeakPolarHBondContact CE1-OD2 3.37Å; Y133-D203 PolarHBondContact OH-OD2 3.32Å; R174-D203 HydrophobicContact CG-CB 4Å; D203-K205 PolarHBondContact O-N 3.25Å; D203-K205 VanDerWaalsContact OD1-C 3.27Å; D203-K205 WeakPolarHBondContact OD1-CA 3.35Å; D203-K205 PolarHBondContact OD1-N 3.06Å; D203-K206 PolarHBondContact O-N 3.45Å; D203-K206 PolarHBondContact OD1-N 2.98Å; D203-K206 VanDerWaalsContact OD1-N 3.12Å; D203-R207 PolarHBondContact N-O 3.32Å; D203-R207 WeakPolarHBondContact OD1-CB 3.49Å; D203-R207 PolarHBondContact OD1-N 3.03Å; D203-R207 IonicContact OD1-NE 3.54Å; D203-R207 IonicContact OD2-CZ 2.7Å; D203-R207 VanDerWaalsContact OD2-CZ 3.29Å; D203-R207 IonicContact OD2-NE 2.73Å; D203-R207 PolarHBondContact OD2-NE 2.9Å; D203-R207 IonicContact OD2-NH2 3.13Å; D203-R207 PolarHBondContact OD2-NH2 2.95Å | ||
| 204 | N | 94.4 | Very high | 96.4 | Very high | 61 Ų | 61 | 48 Ų | 48 | 33% | 0.326 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -26.4 | 178.3 | -96.1 | -4.3 | 0 | 0 | 0 | 114.6 | E172 K173 K206 | E172-N204 WeakPolarHBondContact CA-ND2 3.44Å; E172-N204 WeakPolarHBondContact O-CB 3.49Å; E172-N204 PolarHBondContact O-N 3.35Å; E172-N204 PolarHBondContact OE2-ND2 2.89Å; K173-N204 WeakPolarHBondContact CB-OD1 3.37Å; K173-N204 WeakPolarHBondContact CD-OD1 3.31Å; K173-N204 VanDerWaalsContact CE-OD1 3.24Å; K173-N204 WeakPolarHBondContact CE-OD1 3.49Å; K173-N204 WeakPolarHBondContact CG-OD1 3.5Å; N204-K206 VanDerWaalsContact C-N 3.29Å |
| 205 | K | 94.3 | Very high | 96.6 | Very high | 56 Ų | 56 | 44.4 Ų | 44.4 | 24% | 0.243 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 18.4 | 175.2 | -60.5 | -162.3 | 177.4 | -173.6 | 0 | 112.3 | D203 R207 E237 | D203-K205 PolarHBondContact O-N 3.25Å; D203-K205 VanDerWaalsContact OD1-C 3.27Å; D203-K205 WeakPolarHBondContact OD1-CA 3.35Å; D203-K205 PolarHBondContact OD1-N 3.06Å; K205-R207 HydrophobicContact CB-CG 4.28Å; K205-R207 PolarHBondContact O-N 3.12Å; K205-E237 HydrophobicContact CB-CG 4.21Å; K205-E237 VanDerWaalsContact CB-OE1 3.3Å; K205-E237 WeakPolarHBondContact CB-OE1 3.4Å; K205-E237 VanDerWaalsContact CD-OE1 3.27Å; K205-E237 WeakPolarHBondContact CD-OE1 3.42Å; K205-E237 WeakPolarHBondContact CG-OE1 3.21Å; K205-E237 WeakPolarHBondContact O-CB 3.37Å; K205-E237 WeakPolarHBondContact O-CG 3.33Å; K205-E237 PolarHBondContact O-N 3.34Å |
| 206 | K | 96.8 | Very high | 96.7 | Very high | 118 Ų | 118 | 38.5 Ų | 38.5 | 51% | 0.513 | 18% | 0.177 | S | C | . | . | S | Bend | trans | 58.6 | 22.8 | -176 | -55.2 | -174.6 | 179 | -176.8 | 0 | 115 | L202 D203 N204 E237 | L202-K206 HydrophobicContact CD1-CB 4.37Å; D203-K206 PolarHBondContact O-N 3.45Å; D203-K206 PolarHBondContact OD1-N 2.98Å; D203-K206 VanDerWaalsContact OD1-N 3.12Å; N204-K206 VanDerWaalsContact C-N 3.29Å; K206-E237 HydrophobicContact CB-CB 4.41Å; K206-E237 HydrophobicContact CD-CB 4.4Å; K206-E237 HydrophobicContact CG-CB 4.31Å |
| 207 | R | 97.3 | Very high | 96.9 | Very high | 15 Ų | 15 | 33 Ų | 33 | 6% | 0.057 | 16% | 0.161 | C | C | . | . | trans | -87.3 | 143.1 | 178.9 | -61.6 | 172.9 | -64.5 | -169.3 | -7.6 | 110.3 | H178 L202 D203 K205 I211 K212 Q215 D236 | H178-R207 PolarHBondContact NE2-O 3.05Å; H178-R207 VanDerWaalsContact NE2-O 3.11Å; L202-R207 WeakPolarHBondContact CA-O 3.19Å; D203-R207 PolarHBondContact N-O 3.32Å; D203-R207 WeakPolarHBondContact OD1-CB 3.49Å; D203-R207 PolarHBondContact OD1-N 3.03Å; D203-R207 IonicContact OD1-NE 3.54Å; D203-R207 IonicContact OD2-CZ 2.7Å; D203-R207 VanDerWaalsContact OD2-CZ 3.29Å; D203-R207 IonicContact OD2-NE 2.73Å; D203-R207 PolarHBondContact OD2-NE 2.9Å; D203-R207 IonicContact OD2-NH2 3.13Å; D203-R207 PolarHBondContact OD2-NH2 2.95Å; K205-R207 HydrophobicContact CB-CG 4.28Å; K205-R207 PolarHBondContact O-N 3.12Å; R207-I211 HydrophobicContact CB-CB 4.27Å; R207-I211 HydrophobicContact CB-CG2 3.96Å; R207-I211 HydrophobicContact CG-CG2 3.91Å; R207-K212 HydrophobicContact CB-CD 4.24Å; R207-K212 HydrophobicContact CB-CG 4.3Å; R207-K212 VanDerWaalsContact NH1-NZ 3.1Å; R207-Q215 VanDerWaalsContact NH1-OE1 3.13Å; R207-D236 HydrophobicContact CG-CB 3.66Å | ||
| 208 | T | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | trans | -83 | 166.1 | 169.4 | 61.1 | 0 | 0 | 0 | 0 | 111.1 | L202 L210 I211 K212 I234 | L202-T208 HydrophobicContact CD2-CG2 3.75Å; T208-L210 PolarHBondContact O-N 2.94Å; T208-I211 PolarHBondContact O-N 3.47Å; T208-I211 PolarHBondContact OG1-N 3.29Å; T208-K212 WeakPolarHBondContact O-CG 3.32Å; T208-K212 PolarHBondContact O-N 2.99Å; T208-K212 VanDerWaalsContact O-N 3.13Å; T208-I234 HydrophobicContact CG2-CB 4.02Å; T208-I234 HydrophobicContact CG2-CD1 4Å; T208-I234 HydrophobicContact CG2-CG2 3.85Å | ||
| 209 | A | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.3 | -33.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L177 H178 K212 A213 L225 | L177-A209 HydrophobicContact CB-CB 4.38Å; L177-A209 HydrophobicContact CD2-CB 3.83Å; L177-A209 HydrophobicContact CG-CB 3.71Å; H178-A209 PolarHBondContact CD2-N 2.82Å; H178-A209 PolarHBondContact NE2-N 3.28Å; A209-K212 PolarHBondContact O-N 2.87Å; A209-A213 PolarHBondContact O-N 3.17Å; A209-L225 HydrophobicContact CB-CD1 4.41Å |
| 210 | L | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63 | -50.8 | 175.2 | 175.6 | 63.9 | 0 | 0 | 0 | 112 | T208 K212 A213 I214 V222 L225 L226 A230 R232 A242 | T208-L210 PolarHBondContact O-N 2.94Å; L210-K212 PolarHBondContact O-N 3.21Å; L210-A213 PolarHBondContact O-N 2.83Å; L210-I214 HydrophobicContact CD1-CD1 4Å; L210-I214 HydrophobicContact CD1-CG1 4.47Å; L210-I214 HydrophobicContact CG-CD1 4.04Å; L210-I214 WeakPolarHBondContact O-CG1 3.37Å; L210-I214 PolarHBondContact O-N 3.06Å; L210-I214 VanDerWaalsContact O-N 3.08Å; L210-V222 HydrophobicContact CD1-CB 4.47Å; L210-V222 HydrophobicContact CD1-CG1 3.69Å; L210-L225 HydrophobicContact CB-CD1 4.32Å; L210-L225 HydrophobicContact CD1-CB 4.2Å; L210-L226 HydrophobicContact CD1-CD2 4.06Å; L210-L226 HydrophobicContact CD1-CG 4.06Å; L210-L226 HydrophobicContact CD2-CD2 3.85Å; L210-A230 HydrophobicContact CB-CB 4.35Å; L210-A230 HydrophobicContact CD2-CB 4.22Å; L210-R232 HydrophobicContact CD2-CB 3.92Å; L210-A242 HydrophobicContact CD2-CB 4.35Å |
| 211 | I | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.5 | -41.9 | 176.5 | -74.7 | 174 | 0 | 0 | 0 | 110.4 | R207 T208 I214 Q215 I234 D236 A242 Y245 | R207-I211 HydrophobicContact CB-CB 4.27Å; R207-I211 HydrophobicContact CB-CG2 3.96Å; R207-I211 HydrophobicContact CG-CG2 3.91Å; T208-I211 PolarHBondContact O-N 3.47Å; T208-I211 PolarHBondContact OG1-N 3.29Å; I211-I214 PolarHBondContact O-N 3.31Å; I211-Q215 VanDerWaalsContact O-CB 3.32Å; I211-Q215 WeakPolarHBondContact O-CB 3.46Å; I211-Q215 PolarHBondContact O-N 3.35Å; I211-I234 WeakPolarHBondContact CD1-O 3.47Å; I211-D236 HydrophobicContact CD1-CB 4.44Å; I211-A242 HydrophobicContact CG1-CB 4.45Å; I211-Y245 HydrophobicContact CG2-CD2 3.61Å; I211-Y245 HydrophobicContact CG2-CE2 3.38Å; I211-Y245 HydrophobicContact CG2-CG 4.3Å |
| 212 | K | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67 | -41 | 179.6 | -69.9 | -59.3 | -46 | 172.8 | 0 | 113.8 | P131 Y133 A182 R207 T208 A209 L210 I214 Q215 C216 | P131-K212 WeakPolarHBondContact O-CE 3.4Å; P131-K212 PolarHBondContact O-NZ 2.84Å; Y133-K212 HydrophobicContact CE1-CD 4.17Å; Y133-K212 HydrophobicContact CE2-CD 4.37Å; Y133-K212 HydrophobicContact CE2-CG 4.23Å; Y133-K212 VanDerWaalsContact OH-CG 3.29Å; Y133-K212 WeakPolarHBondContact OH-CG 3.46Å; A182-K212 HydrophobicContact CB-CB 4.3Å; R207-K212 HydrophobicContact CB-CD 4.24Å; R207-K212 HydrophobicContact CB-CG 4.3Å; R207-K212 VanDerWaalsContact NH1-NZ 3.1Å; T208-K212 WeakPolarHBondContact O-CG 3.32Å; T208-K212 PolarHBondContact O-N 2.99Å; T208-K212 VanDerWaalsContact O-N 3.13Å; A209-K212 PolarHBondContact O-N 2.87Å; L210-K212 PolarHBondContact O-N 3.21Å; K212-I214 VanDerWaalsContact C-N 3.32Å; K212-Q215 PolarHBondContact O-N 3.14Å; K212-C216 WeakPolarHBondContact O-CB 3.48Å; K212-C216 PolarHBondContact O-N 3.11Å; K212-C216 PolarHBondContact O-SG 2.73Å |
| 213 | A | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A209 L210 C216 Q217 E218 C221 V222 L225 | A209-A213 PolarHBondContact O-N 3.17Å; L210-A213 PolarHBondContact O-N 2.83Å; A213-C216 CarbonylContact O-C 3.53Å; A213-C216 PolarHBondContact O-N 3.23Å; A213-Q217 PolarHBondContact O-N 3.37Å; A213-E218 PolarHBondContact O-N 3.15Å; A213-C221 HydrophobicContact CB-CB 4.12Å; A213-V222 HydrophobicContact CB-CG2 3.5Å; A213-L225 HydrophobicContact CB-CD1 4.29Å |
| 214 | I | 98.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.1 | -45.6 | 177.7 | -63.1 | 162.1 | 0 | 0 | 0 | 110.9 | L210 I211 K212 C216 Q217 V222 A242 A246 N249 M254 L258 | L210-I214 HydrophobicContact CD1-CD1 4Å; L210-I214 HydrophobicContact CD1-CG1 4.47Å; L210-I214 HydrophobicContact CG-CD1 4.04Å; L210-I214 WeakPolarHBondContact O-CG1 3.37Å; L210-I214 PolarHBondContact O-N 3.06Å; L210-I214 VanDerWaalsContact O-N 3.08Å; I211-I214 PolarHBondContact O-N 3.31Å; K212-I214 VanDerWaalsContact C-N 3.32Å; I214-C216 PolarHBondContact O-N 2.96Å; I214-Q217 PolarHBondContact O-N 2.98Å; I214-V222 HydrophobicContact CB-CG2 4.46Å; I214-V222 HydrophobicContact CD1-CG1 4.36Å; I214-V222 HydrophobicContact CG1-CB 4.44Å; I214-V222 HydrophobicContact CG1-CG1 3.94Å; I214-V222 HydrophobicContact CG1-CG2 3.58Å; I214-A242 HydrophobicContact CD1-CB 3.52Å; I214-A246 HydrophobicContact CG2-CB 4.18Å; I214-N249 PolarHBondContact O-ND2 3.22Å; I214-M254 HydrophobicContact CG1-CG 4.26Å; I214-M254 HydrophobicContact CG1-SD 4.38Å; I214-M254 HydrophobicContact CG2-CG 4.23Å; I214-L258 HydrophobicContact CD1-CD1 4Å; I214-L258 HydrophobicContact CD1-CD2 4Å |
| 215 | Q | 95.9 | Very high | 97.4 | Very high | 5 Ų | 5 | 31.5 Ų | 31.5 | 2% | 0.023 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.4 | -37 | 178.7 | -168.4 | -179.8 | 16.3 | 0 | 0 | 111.6 | A127 E130 P131 R207 I211 K212 Y245 | A127-Q215 PolarHBondContact O-NE2 3.49Å; E130-Q215 PolarHBondContact O-NE2 2.92Å; P131-Q215 HydrophobicContact CB-CG 4.02Å; P131-Q215 WeakPolarHBondContact CB-O 3.38Å; R207-Q215 VanDerWaalsContact NH1-OE1 3.13Å; I211-Q215 VanDerWaalsContact O-CB 3.32Å; I211-Q215 WeakPolarHBondContact O-CB 3.46Å; I211-Q215 PolarHBondContact O-N 3.35Å; K212-Q215 PolarHBondContact O-N 3.14Å; Q215-Y245 HydrophobicContact CB-CD1 3.95Å; Q215-Y245 HydrophobicContact CB-CE1 4.16Å; Q215-Y245 HydrophobicContact CG-CD1 3.86Å; Q215-Y245 HydrophobicContact CG-CE1 3.77Å |
| 216 | C | 95.6 | Very high | 97.6 | Very high | 13 Ų | 13 | 29 Ų | 29 | 9% | 0.088 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -3.2 | 175.3 | -69.2 | 0 | 0 | 0 | 0 | 114.6 | P131 A182 K212 A213 I214 E218 | P131-C216 VanDerWaalsContact C-SG 3.53Å; P131-C216 PolarHBondContact O-SG 2.7Å; A182-C216 WeakPolarHBondContact O-CB 3.42Å; A182-C216 PolarHBondContact O-SG 3.21Å; K212-C216 WeakPolarHBondContact O-CB 3.48Å; K212-C216 PolarHBondContact O-N 3.11Å; K212-C216 PolarHBondContact O-SG 2.73Å; A213-C216 CarbonylContact O-C 3.53Å; A213-C216 PolarHBondContact O-N 3.23Å; I214-C216 PolarHBondContact O-N 2.96Å; C216-E218 VanDerWaalsContact C-N 3.35Å; C216-E218 HydrophobicContact CB-CG 3.67Å |
| 217 | Q | 96.1 | Very high | 97.6 | Very high | 116 Ų | 116 | 29.5 Ų | 29.5 | 54% | 0.542 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 40.9 | -176.1 | -60.3 | 171 | 68 | 0 | 0 | 113.3 | A213 I214 D219 | A213-Q217 PolarHBondContact O-N 3.37Å; I214-Q217 PolarHBondContact O-N 2.98Å; Q217-D219 PolarHBondContact O-N 3.34Å |
| 218 | E | 97.6 | Very high | 97.7 | Very high | 42 Ų | 42 | 32.6 Ų | 32.6 | 20% | 0.196 | 16% | 0.159 | C | C | . | . | trans | -96.9 | 72.2 | -180 | -55 | -67.4 | 177.1 | 0 | 0 | 110.3 | R132 G184 A213 C216 E220 C221 V222 | R132-E218 IonicContact CZ-OE1 3.66Å; R132-E218 IonicContact NH1-OE1 3.27Å; R132-E218 PolarHBondContact NH1-OE1 3.04Å; R132-E218 IonicContact NH2-OE1 3.86Å; R132-E218 PolarHBondContact NH2-OE1 3.31Å; G184-E218 WeakPolarHBondContact CA-OE2 3.4Å; A213-E218 PolarHBondContact O-N 3.15Å; C216-E218 VanDerWaalsContact C-N 3.35Å; C216-E218 HydrophobicContact CB-CG 3.67Å; E218-E220 VanDerWaalsContact C-N 3.34Å; E218-E220 PolarHBondContact O-N 3.41Å; E218-C221 HydrophobicContact CB-CB 4.32Å; E218-C221 WeakPolarHBondContact O-CB 3.39Å; E218-C221 PolarHBondContact O-N 2.88Å; E218-V222 PolarHBondContact O-N 2.95Å; E218-V222 VanDerWaalsContact O-N 3.14Å | ||
| 219 | D | 96.7 | Very high | 97.6 | Very high | 77 Ų | 77 | 34.8 Ų | 34.8 | 41% | 0.412 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -54.2 | -41.6 | -167.6 | -66.5 | -13.1 | 0 | 0 | 0 | 114.9 | Q217 C221 V222 L223 M254 | Q217-D219 PolarHBondContact O-N 3.34Å; D219-C221 VanDerWaalsContact C-N 3.3Å; D219-C221 PolarHBondContact O-N 3.28Å; D219-V222 WeakPolarHBondContact O-CB 3.36Å; D219-V222 PolarHBondContact O-N 3.29Å; D219-V222 VanDerWaalsContact O-N 3.17Å; D219-L223 WeakPolarHBondContact O-CG 3.36Å; D219-L223 PolarHBondContact O-N 3.41Å; D219-M254 HydrophobicContact CB-CE 4.13Å; D219-M254 WeakPolarHBondContact OD1-CE 3.35Å |
| 220 | E | 97.5 | Very high | 97.6 | Very high | 123 Ų | 123 | 34.8 Ų | 34.8 | 58% | 0.575 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -60.8 | -42.2 | 179.3 | -171.5 | -179.6 | -159.7 | 0 | 0 | 111.1 | S186 E218 L223 M224 | S186-E220 VanDerWaalsContact CB-CD 3.45Å; S186-E220 WeakPolarHBondContact CB-OE2 3.37Å; S186-E220 PolarHBondContact OG-OE2 3.19Å; E218-E220 VanDerWaalsContact C-N 3.34Å; E218-E220 PolarHBondContact O-N 3.41Å; E220-L223 PolarHBondContact O-N 2.9Å; E220-M224 HydrophobicContact CG-CE 4.29Å; E220-M224 WeakPolarHBondContact O-CG 3.49Å; E220-M224 PolarHBondContact O-N 3.22Å; E220-M224 VanDerWaalsContact O-N 3.12Å |
| 221 | C | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.4 | -39.3 | 176.4 | -67.3 | 0 | 0 | 0 | 0 | 111.5 | V189 A213 E218 D219 M224 L225 | V189-C221 HydrophobicContact CG2-CB 4.49Å; A213-C221 HydrophobicContact CB-CB 4.12Å; E218-C221 HydrophobicContact CB-CB 4.32Å; E218-C221 WeakPolarHBondContact O-CB 3.39Å; E218-C221 PolarHBondContact O-N 2.88Å; D219-C221 VanDerWaalsContact C-N 3.3Å; D219-C221 PolarHBondContact O-N 3.28Å; C221-M224 HydrophobicContact CB-CE 4.49Å; C221-L225 WeakPolarHBondContact O-CB 3.3Å; C221-L225 WeakPolarHBondContact O-CD1 3.41Å; C221-L225 WeakPolarHBondContact O-CG 3.34Å; C221-L225 PolarHBondContact O-N 2.9Å |
| 222 | V | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.1 | -48.7 | 177.2 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | L210 A213 I214 E218 D219 M224 L225 L226 M254 | L210-V222 HydrophobicContact CD1-CB 4.47Å; L210-V222 HydrophobicContact CD1-CG1 3.69Å; A213-V222 HydrophobicContact CB-CG2 3.5Å; I214-V222 HydrophobicContact CB-CG2 4.46Å; I214-V222 HydrophobicContact CD1-CG1 4.36Å; I214-V222 HydrophobicContact CG1-CB 4.44Å; I214-V222 HydrophobicContact CG1-CG1 3.94Å; I214-V222 HydrophobicContact CG1-CG2 3.58Å; E218-V222 PolarHBondContact O-N 2.95Å; E218-V222 VanDerWaalsContact O-N 3.14Å; D219-V222 WeakPolarHBondContact O-CB 3.36Å; D219-V222 PolarHBondContact O-N 3.29Å; D219-V222 VanDerWaalsContact O-N 3.17Å; V222-M224 PolarHBondContact O-N 3.33Å; V222-L225 PolarHBondContact O-N 2.98Å; V222-L226 HydrophobicContact CG1-CD1 3.81Å; V222-L226 HydrophobicContact CG1-CG 4.25Å; V222-L226 WeakPolarHBondContact O-CG 3.36Å; V222-L226 PolarHBondContact O-N 3.1Å; V222-M254 HydrophobicContact CB-CE 3.76Å; V222-M254 HydrophobicContact CB-SD 3.97Å; V222-M254 HydrophobicContact CG1-CE 3.81Å; V222-M254 HydrophobicContact CG1-SD 3.29Å; V222-M254 WeakPolarHBondContact CG1-SD 3.47Å; V222-M254 HydrophobicContact CG2-CE 3.87Å; V222-M254 HydrophobicContact CG2-SD 4.27Å |
| 223 | L | 98.2 | Very high | 97.6 | Very high | 73 Ų | 73 | 41.9 Ų | 41.9 | 38% | 0.382 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.6 | -46.7 | -179.2 | -68.3 | 175.5 | 0 | 0 | 0 | 111.5 | D219 E220 L225 L226 E227 A257 | D219-L223 WeakPolarHBondContact O-CG 3.36Å; D219-L223 PolarHBondContact O-N 3.41Å; E220-L223 PolarHBondContact O-N 2.9Å; L223-L225 VanDerWaalsContact C-N 3.31Å; L223-L225 PolarHBondContact O-N 3.39Å; L223-L226 PolarHBondContact O-N 3.5Å; L223-E227 WeakPolarHBondContact O-CB 3.39Å; L223-E227 VanDerWaalsContact O-CG 3.31Å; L223-E227 WeakPolarHBondContact O-CG 3.34Å; L223-E227 PolarHBondContact O-N 2.95Å; L223-A257 HydrophobicContact CD2-CB 4.49Å |
| 224 | M | 98.2 | Very high | 97.6 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.4 | -42.8 | 176.3 | -71.9 | -173.2 | -65.6 | 0 | 0 | 112.3 | S186 V189 Q190 L193 E220 C221 V222 E227 H228 | S186-M224 VanDerWaalsContact CB-CE 3.47Å; V189-M224 HydrophobicContact CB-CE 3.84Å; V189-M224 HydrophobicContact CG1-CB 4.48Å; V189-M224 HydrophobicContact CG1-CE 3.73Å; Q190-M224 HydrophobicContact CB-SD 4.05Å; Q190-M224 PolarHBondContact OE1-SD 2.88Å; Q190-M224 VanDerWaalsContact OE1-SD 3.35Å; L193-M224 HydrophobicContact CD1-CB 3.83Å; E220-M224 HydrophobicContact CG-CE 4.29Å; E220-M224 WeakPolarHBondContact O-CG 3.49Å; E220-M224 PolarHBondContact O-N 3.22Å; E220-M224 VanDerWaalsContact O-N 3.12Å; C221-M224 HydrophobicContact CB-CE 4.49Å; V222-M224 PolarHBondContact O-N 3.33Å; M224-E227 PolarHBondContact O-N 3.4Å; M224-H228 PolarHBondContact O-N 3.47Å; M224-H228 VanDerWaalsContact O-N 3.14Å; M224-H228 PolarHBondContact O-ND1 3.34Å |
| 225 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.3 | -43.3 | 178.5 | -73.5 | 166.9 | 0 | 0 | 0 | 111.8 | L177 L193 L199 A209 L210 A213 C221 V222 L223 H228 G229 A230 | L177-L225 HydrophobicContact CD1-CD2 4.15Å; L177-L225 HydrophobicContact CD2-CD2 3.94Å; L177-L225 HydrophobicContact CG-CD2 4.28Å; L193-L225 HydrophobicContact CD2-CD2 4.17Å; L199-L225 HydrophobicContact CD2-CD2 4.46Å; A209-L225 HydrophobicContact CB-CD1 4.41Å; L210-L225 HydrophobicContact CB-CD1 4.32Å; L210-L225 HydrophobicContact CD1-CB 4.2Å; A213-L225 HydrophobicContact CB-CD1 4.29Å; C221-L225 WeakPolarHBondContact O-CB 3.3Å; C221-L225 WeakPolarHBondContact O-CD1 3.41Å; C221-L225 WeakPolarHBondContact O-CG 3.34Å; C221-L225 PolarHBondContact O-N 2.9Å; V222-L225 PolarHBondContact O-N 2.98Å; L223-L225 VanDerWaalsContact C-N 3.31Å; L223-L225 PolarHBondContact O-N 3.39Å; L225-H228 PolarHBondContact O-N 3.46Å; L225-G229 PolarHBondContact O-N 3.48Å; L225-A230 HydrophobicContact CB-CB 3.96Å; L225-A230 WeakPolarHBondContact O-CB 3.36Å; L225-A230 PolarHBondContact O-N 3.16Å |
| 226 | L | 98.1 | Very high | 97.6 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.4 | -42.8 | 177.9 | -70.1 | 173.6 | 0 | 0 | 0 | 111.9 | L210 V222 L223 H228 G229 R232 L258 Y261 | L210-L226 HydrophobicContact CD1-CD2 4.06Å; L210-L226 HydrophobicContact CD1-CG 4.06Å; L210-L226 HydrophobicContact CD2-CD2 3.85Å; V222-L226 HydrophobicContact CG1-CD1 3.81Å; V222-L226 HydrophobicContact CG1-CG 4.25Å; V222-L226 WeakPolarHBondContact O-CG 3.36Å; V222-L226 PolarHBondContact O-N 3.1Å; L223-L226 PolarHBondContact O-N 3.5Å; L226-H228 PolarHBondContact O-N 2.95Å; L226-G229 PolarHBondContact O-N 2.94Å; L226-R232 HydrophobicContact CD2-CB 4.3Å; L226-L258 HydrophobicContact CD1-CD2 4.14Å; L226-L258 HydrophobicContact CD2-CD2 4.12Å; L226-Y261 HydrophobicContact CB-CD1 4.05Å; L226-Y261 HydrophobicContact CB-CD2 4Å; L226-Y261 HydrophobicContact CB-CE1 4.08Å; L226-Y261 HydrophobicContact CB-CE2 4.03Å; L226-Y261 HydrophobicContact CB-CG 4.01Å; L226-Y261 HydrophobicContact CD1-CD2 3.86Å; L226-Y261 HydrophobicContact CD1-CE2 4.28Å; L226-Y261 HydrophobicContact CD1-CG 4.34Å; L226-Y261 HydrophobicContact CD2-CG 4.4Å; L226-Y261 HydrophobicContact CG-CD2 4.41Å; L226-Y261 HydrophobicContact CG-CG 4.49Å |
| 227 | E | 97.8 | Very high | 97.6 | Very high | 127 Ų | 127 | 48.4 Ų | 48.4 | 59% | 0.593 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -60.9 | -32.2 | 176.4 | -74.6 | 174.6 | 178.2 | 0 | 0 | 112.6 | L223 M224 G229 Y261 | L223-E227 WeakPolarHBondContact O-CB 3.39Å; L223-E227 VanDerWaalsContact O-CG 3.31Å; L223-E227 WeakPolarHBondContact O-CG 3.34Å; L223-E227 PolarHBondContact O-N 2.95Å; M224-E227 PolarHBondContact O-N 3.4Å; E227-G229 VanDerWaalsContact C-N 3.3Å; E227-Y261 VanDerWaalsContact CG-OH 3.3Å; E227-Y261 WeakPolarHBondContact CG-OH 3.21Å |
| 228 | H | 98 | Very high | 97.5 | Very high | 81 Ų | 81 | 45.4 Ų | 45.4 | 38% | 0.375 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 4.9 | 176 | -70.6 | 74.2 | 0 | 0 | 0 | 113.6 | L193 L199 M224 L225 L226 | L193-H228 HydrophobicContact CD1-CB 4.46Å; L193-H228 HydrophobicContact CD2-CB 4.07Å; L199-H228 HydrophobicContact CD1-CB 4.06Å; L199-H228 WeakPolarHBondContact CD1-O 3.41Å; M224-H228 PolarHBondContact O-N 3.47Å; M224-H228 VanDerWaalsContact O-N 3.14Å; M224-H228 PolarHBondContact O-ND1 3.34Å; L225-H228 PolarHBondContact O-N 3.46Å; L226-H228 PolarHBondContact O-N 2.95Å |
| 229 | G | 96.9 | Very high | 97.5 | Very high | 46 Ų | 46 | 43.9 Ų | 43.9 | 47% | 0.474 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 22.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L225 L226 E227 D231 | L225-G229 PolarHBondContact O-N 3.48Å; L226-G229 PolarHBondContact O-N 2.94Å; E227-G229 VanDerWaalsContact C-N 3.3Å; G229-D231 PolarHBondContact O-N 3.36Å |
| 230 | A | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -56 | 137.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | L199 L210 L225 R232 | L199-A230 HydrophobicContact CB-CB 4.13Å; L199-A230 HydrophobicContact CD1-CB 4.15Å; L210-A230 HydrophobicContact CB-CB 4.35Å; L210-A230 HydrophobicContact CD2-CB 4.22Å; L225-A230 HydrophobicContact CB-CB 3.96Å; L225-A230 WeakPolarHBondContact O-CB 3.36Å; L225-A230 PolarHBondContact O-N 3.16Å; A230-R232 PolarHBondContact O-N 2.81Å; A230-R232 PolarHBondContact O-NH1 3.28Å | ||
| 231 | D | 98.3 | Very high | 97.5 | Very high | 43 Ų | 43 | 34.7 Ų | 34.7 | 23% | 0.23 | 19% | 0.186 | C | C | . | . | trans | -78.5 | 112.4 | -176.3 | -165.9 | -12.4 | 0 | 0 | 0 | 112.2 | N200 G229 N233 I234 | N200-D231 WeakPolarHBondContact OD1-CB 3.42Å; N200-D231 PolarHBondContact OD1-N 3Å; G229-D231 PolarHBondContact O-N 3.36Å; D231-N233 VanDerWaalsContact C-N 3.34Å; D231-N233 PolarHBondContact OD1-N 3.26Å; D231-I234 HydrophobicContact CB-CD1 3.68Å; D231-I234 HydrophobicContact CB-CG1 3.82Å | ||
| 232 | R | 97.8 | Very high | 97.5 | Very high | 50 Ų | 50 | 34.7 Ų | 34.7 | 19% | 0.189 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -12.7 | 179.5 | 69 | -84.7 | 86.2 | -144.1 | 10.3 | 114.8 | L210 L226 A230 A242 L258 Y261 A263 | L210-R232 HydrophobicContact CD2-CB 3.92Å; L226-R232 HydrophobicContact CD2-CB 4.3Å; A230-R232 PolarHBondContact O-N 2.81Å; A230-R232 PolarHBondContact O-NH1 3.28Å; R232-A242 HydrophobicContact CB-CB 4.26Å; R232-A242 WeakPolarHBondContact O-CB 3.43Å; R232-L258 HydrophobicContact CB-CD2 4.08Å; R232-Y261 VanDerWaalsContact CD-O 3.27Å; R232-Y261 WeakPolarHBondContact CD-O 3.29Å; R232-A263 HydrophobicContact CG-CB 3.77Å |
| 233 | N | 98.3 | Very high | 97.5 | Very high | 58 Ų | 58 | 34.7 Ų | 34.7 | 31% | 0.31 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -2 | -175.5 | -64 | -35.9 | 0 | 0 | 0 | 113.1 | D231 P235 G262 A263 D264 | D231-N233 VanDerWaalsContact C-N 3.34Å; D231-N233 PolarHBondContact OD1-N 3.26Å; N233-P235 VanDerWaalsContact O-CD 3.29Å; N233-P235 WeakPolarHBondContact O-CD 3.39Å; N233-G262 PolarHBondContact ND2-O 3.41Å; N233-A263 WeakPolarHBondContact OD1-CA 3.31Å; N233-D264 PolarHBondContact OD1-N 3.03Å |
| 234 | I | 98.3 | Very high | 97.5 | Very high | 33 Ų | 33 | 31.2 Ų | 31.2 | 17% | 0.169 | 17% | 0.167 | C | C | . | . | trans | -66.9 | 121.5 | 173.1 | -65.9 | 176.5 | 0 | 0 | 0 | 108.7 | N200 L202 T208 I211 D231 | N200-I234 HydrophobicContact CB-CD1 3.6Å; L202-I234 HydrophobicContact CD2-CG2 3.8Å; T208-I234 HydrophobicContact CG2-CB 4.02Å; T208-I234 HydrophobicContact CG2-CD1 4Å; T208-I234 HydrophobicContact CG2-CG2 3.85Å; I211-I234 WeakPolarHBondContact CD1-O 3.47Å; D231-I234 HydrophobicContact CB-CD1 3.68Å; D231-I234 HydrophobicContact CB-CG1 3.82Å | ||
| 235 | P | 97.4 | Very high | 97.5 | Very high | 63 Ų | 63 | 30.5 Ų | 30.5 | 41% | 0.409 | 16% | 0.164 | S | C | . | . | trans | -83.6 | 150.8 | 176.5 | 32.7 | -32.7 | 0 | 0 | 0 | 111.9 | N233 N240 T241 | N233-P235 VanDerWaalsContact O-CD 3.29Å; N233-P235 WeakPolarHBondContact O-CD 3.39Å; P235-N240 WeakPolarHBondContact CA-O 3.49Å; P235-T241 HydrophobicContact CB-CG2 4.42Å | ||
| 236 | D | 96.6 | Very high | 97.5 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 3% | 0.032 | 16% | 0.164 | C | C | . | . | trans | -75.2 | -172.3 | 168.7 | 76 | -2.1 | 0 | 0 | 0 | 112.8 | R207 I211 Y238 G239 N240 Y245 | R207-D236 HydrophobicContact CG-CB 3.66Å; I211-D236 HydrophobicContact CD1-CB 4.44Å; D236-Y238 PolarHBondContact O-N 3.19Å; D236-Y238 VanDerWaalsContact OD1-CA 3.29Å; D236-Y238 WeakPolarHBondContact OD1-CA 3.49Å; D236-Y238 WeakPolarHBondContact OD1-CB 3.29Å; D236-Y238 PolarHBondContact OD1-N 3.3Å; D236-G239 PolarHBondContact O-N 3.05Å; D236-G239 VanDerWaalsContact O-N 3.08Å; D236-G239 PolarHBondContact OD1-N 2.91Å; D236-N240 PolarHBondContact N-O 3.47Å; D236-N240 PolarHBondContact OD1-N 3.19Å; D236-Y245 PolarHBondContact OD2-OH 2.92Å | ||
| 237 | E | 95.6 | Very high | 97.5 | Very high | 56 Ų | 56 | 30.2 Ų | 30.2 | 26% | 0.262 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -18.1 | 178.2 | 72 | 179.9 | 156.1 | 0 | 0 | 114.2 | K205 K206 K270 | K205-E237 HydrophobicContact CB-CG 4.21Å; K205-E237 VanDerWaalsContact CB-OE1 3.3Å; K205-E237 WeakPolarHBondContact CB-OE1 3.4Å; K205-E237 VanDerWaalsContact CD-OE1 3.27Å; K205-E237 WeakPolarHBondContact CD-OE1 3.42Å; K205-E237 WeakPolarHBondContact CG-OE1 3.21Å; K205-E237 WeakPolarHBondContact O-CB 3.37Å; K205-E237 WeakPolarHBondContact O-CG 3.33Å; K205-E237 PolarHBondContact O-N 3.34Å; K206-E237 HydrophobicContact CB-CB 4.41Å; K206-E237 HydrophobicContact CD-CB 4.4Å; K206-E237 HydrophobicContact CG-CB 4.31Å; E237-K270 WeakPolarHBondContact O-CD 3.45Å; E237-K270 WeakPolarHBondContact O-CE 3.42Å; E237-K270 PolarHBondContact O-NZ 3.36Å |
| 238 | Y | 94.3 | Very high | 97.4 | Very high | 53 Ų | 53 | 26 Ų | 26 | 21% | 0.208 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 0.5 | 177.5 | -53.9 | -85.3 | 0 | 0 | 0 | 112.2 | S126 A127 D236 N240 K270 | S126-Y238 PolarHBondContact OG-OH 3.34Å; A127-Y238 HydrophobicContact CB-CD1 4.35Å; A127-Y238 HydrophobicContact CB-CD2 3.31Å; A127-Y238 HydrophobicContact CB-CE2 3.7Å; A127-Y238 HydrophobicContact CB-CG 3.72Å; D236-Y238 PolarHBondContact O-N 3.19Å; D236-Y238 VanDerWaalsContact OD1-CA 3.29Å; D236-Y238 WeakPolarHBondContact OD1-CA 3.49Å; D236-Y238 WeakPolarHBondContact OD1-CB 3.29Å; D236-Y238 PolarHBondContact OD1-N 3.3Å; Y238-N240 VanDerWaalsContact C-N 3.28Å; Y238-N240 WeakPolarHBondContact CB-ND2 3.5Å; Y238-K270 VanDerWaalsContact O-CB 3.27Å; Y238-K270 WeakPolarHBondContact O-CB 3.43Å; Y238-K270 WeakPolarHBondContact O-CG 2.99Å; Y238-K270 PolarHBondContact O-N 3.47Å |
| 239 | G | 95.9 | Very high | 97.3 | Very high | 11 Ų | 11 | 24 Ų | 24 | 11% | 0.113 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 82.2 | 3.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D236 N269 | D236-G239 PolarHBondContact O-N 3.05Å; D236-G239 VanDerWaalsContact O-N 3.08Å; D236-G239 PolarHBondContact OD1-N 2.91Å; G239-N269 WeakPolarHBondContact O-CA 3.2Å |
| 240 | N | 97.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.011 | 13% | 0.128 | C | C | . | . | trans | -79.2 | 127 | -179.3 | -65.9 | -49.9 | 0 | 0 | 0 | 110.3 | P235 D236 Y238 H244 Y245 N269 | P235-N240 WeakPolarHBondContact CA-O 3.49Å; D236-N240 PolarHBondContact N-O 3.47Å; D236-N240 PolarHBondContact OD1-N 3.19Å; Y238-N240 VanDerWaalsContact C-N 3.28Å; Y238-N240 WeakPolarHBondContact CB-ND2 3.5Å; N240-H244 HydrophobicContact CB-CB 3.89Å; N240-Y245 HydrophobicContact CB-CD2 4.28Å; N240-Y245 HydrophobicContact CB-CE2 3.9Å; N240-N269 VanDerWaalsContact OD1-CB 3.31Å; N240-N269 WeakPolarHBondContact OD1-CB 3.48Å; N240-N269 PolarHBondContact OD1-ND2 3.16Å | ||
| 241 | T | 98.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 26.9 Ų | 26.9 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | trans | -88.4 | 173.6 | 173.4 | 63.5 | 0 | 0 | 0 | 0 | 111.3 | P235 L243 H244 Y245 S267 | P235-T241 HydrophobicContact CB-CG2 4.42Å; T241-L243 PolarHBondContact O-N 3.49Å; T241-L243 VanDerWaalsContact O-N 3.15Å; T241-H244 PolarHBondContact N-ND1 2.79Å; T241-H244 WeakPolarHBondContact O-CB 3.43Å; T241-H244 PolarHBondContact O-N 2.89Å; T241-H244 PolarHBondContact OG1-ND1 3.15Å; T241-Y245 WeakPolarHBondContact O-CD2 3.5Å; T241-Y245 PolarHBondContact O-N 2.95Å; T241-S267 PolarHBondContact OG1-OG 3.09Å | ||
| 242 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -50.5 | -38.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L210 I211 I214 R232 Y245 A246 L258 | L210-A242 HydrophobicContact CD2-CB 4.35Å; I211-A242 HydrophobicContact CG1-CB 4.45Å; I214-A242 HydrophobicContact CD1-CB 3.52Å; R232-A242 HydrophobicContact CB-CB 4.26Å; R232-A242 WeakPolarHBondContact O-CB 3.43Å; A242-Y245 PolarHBondContact O-N 3.25Å; A242-A246 PolarHBondContact O-N 3.07Å; A242-A246 VanDerWaalsContact O-N 3.15Å; A242-L258 HydrophobicContact CB-CD1 4.16Å; A242-L258 HydrophobicContact CB-CD2 3.85Å; A242-L258 WeakPolarHBondContact O-CD1 3.36Å |
| 243 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.8 | -39.6 | 179.6 | -174.6 | 57.7 | 0 | 0 | 0 | 112 | T241 Y245 A246 I247 A255 L258 L259 A263 P275 | T241-L243 PolarHBondContact O-N 3.49Å; T241-L243 VanDerWaalsContact O-N 3.15Å; L243-Y245 VanDerWaalsContact C-N 3.3Å; L243-Y245 PolarHBondContact O-N 3.36Å; L243-A246 PolarHBondContact O-N 3Å; L243-I247 HydrophobicContact CD1-CD1 4.49Å; L243-I247 HydrophobicContact CD1-CG1 4.4Å; L243-I247 HydrophobicContact CG-CG1 4.5Å; L243-I247 VanDerWaalsContact O-CG1 3.3Å; L243-I247 WeakPolarHBondContact O-CG1 3.41Å; L243-I247 PolarHBondContact O-N 3.36Å; L243-A255 HydrophobicContact CD1-CB 3.91Å; L243-L258 HydrophobicContact CB-CD1 4.5Å; L243-L258 HydrophobicContact CD1-CB 4.45Å; L243-L258 HydrophobicContact CD1-CD1 4.4Å; L243-L259 HydrophobicContact CD2-CD2 3.8Å; L243-L259 HydrophobicContact CD2-CG 4.49Å; L243-A263 HydrophobicContact CB-CB 4.39Å; L243-A263 HydrophobicContact CD2-CB 4.4Å; L243-P275 HydrophobicContact CB-CG 4.42Å; L243-P275 HydrophobicContact CD2-CB 4.03Å; L243-P275 HydrophobicContact CD2-CG 3.69Å; L243-P275 HydrophobicContact CG-CB 4.02Å; L243-P275 HydrophobicContact CG-CG 3.89Å |
| 244 | H | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58 | -43.7 | 175.6 | -70.6 | 83.3 | 0 | 0 | 0 | 111.7 | N240 T241 I247 Y248 S267 L273 L278 | N240-H244 HydrophobicContact CB-CB 3.89Å; T241-H244 PolarHBondContact N-ND1 2.79Å; T241-H244 WeakPolarHBondContact O-CB 3.43Å; T241-H244 PolarHBondContact O-N 2.89Å; T241-H244 PolarHBondContact OG1-ND1 3.15Å; H244-I247 PolarHBondContact O-N 2.91Å; H244-Y248 WeakPolarHBondContact O-CB 3.39Å; H244-Y248 PolarHBondContact O-N 2.8Å; H244-S267 PolarHBondContact CE1-O 2.88Å; H244-S267 PolarHBondContact CE1-OG 2.79Å; H244-S267 PolarHBondContact NE2-O 3.06Å; H244-L273 PolarHBondContact NE2-O 3.35Å; H244-L278 HydrophobicContact CB-CD2 3.82Å; H244-L278 WeakPolarHBondContact O-CD2 3.19Å |
| 245 | Y | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64 | -41.7 | 176.7 | -81.6 | -80.8 | 0 | 0 | 0 | 112.9 | A127 F128 I211 Q215 D236 N240 T241 A242 L243 I247 Y248 N249 | A127-Y245 WeakPolarHBondContact O-CE1 3.48Å; A127-Y245 PolarHBondContact O-OH 3.08Å; F128-Y245 AromaticContact CD1-CD1 3.64Å; F128-Y245 HydrophobicContact CD1-CD1 3.64Å; F128-Y245 AromaticContact CD1-CE1 3.59Å; F128-Y245 HydrophobicContact CD1-CE1 3.59Å; F128-Y245 HydrophobicContact CD1-CG 4.48Å; F128-Y245 AromaticContact CE1-CD1 3.83Å; F128-Y245 HydrophobicContact CE1-CD1 3.83Å; F128-Y245 AromaticContact CE1-CE1 3.9Å; F128-Y245 HydrophobicContact CE1-CE1 3.9Å; F128-Y245 HydrophobicContact CE1-CG 4.24Å; F128-Y245 HydrophobicContact CG-CE1 4.48Å; I211-Y245 HydrophobicContact CG2-CD2 3.61Å; I211-Y245 HydrophobicContact CG2-CE2 3.38Å; I211-Y245 HydrophobicContact CG2-CG 4.3Å; Q215-Y245 HydrophobicContact CB-CD1 3.95Å; Q215-Y245 HydrophobicContact CB-CE1 4.16Å; Q215-Y245 HydrophobicContact CG-CD1 3.86Å; Q215-Y245 HydrophobicContact CG-CE1 3.77Å; D236-Y245 PolarHBondContact OD2-OH 2.92Å; N240-Y245 HydrophobicContact CB-CD2 4.28Å; N240-Y245 HydrophobicContact CB-CE2 3.9Å; T241-Y245 WeakPolarHBondContact O-CD2 3.5Å; T241-Y245 PolarHBondContact O-N 2.95Å; A242-Y245 PolarHBondContact O-N 3.25Å; L243-Y245 VanDerWaalsContact C-N 3.3Å; L243-Y245 PolarHBondContact O-N 3.36Å; Y245-I247 VanDerWaalsContact C-N 3.32Å; Y245-I247 PolarHBondContact O-N 2.98Å; Y245-Y248 PolarHBondContact O-N 2.99Å; Y245-N249 WeakPolarHBondContact O-CB 3.46Å; Y245-N249 PolarHBondContact O-N 3.18Å |
| 246 | A | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.5 | -40.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | I214 A242 L243 N249 E250 D251 M254 A255 L258 | I214-A246 HydrophobicContact CG2-CB 4.18Å; A242-A246 PolarHBondContact O-N 3.07Å; A242-A246 VanDerWaalsContact O-N 3.15Å; L243-A246 PolarHBondContact O-N 3Å; A246-N249 PolarHBondContact O-N 2.91Å; A246-E250 PolarHBondContact O-N 3.27Å; A246-D251 PolarHBondContact O-N 3.25Å; A246-M254 HydrophobicContact CB-CB 4.13Å; A246-M254 HydrophobicContact CB-CG 3.99Å; A246-A255 HydrophobicContact CB-CB 4.3Å; A246-L258 HydrophobicContact CB-CD1 3.76Å |
| 247 | I | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.2 | -45.3 | 175.9 | -63.7 | -55.1 | 0 | 0 | 0 | 111.5 | L243 H244 Y245 N249 E250 A255 P275 L278 V287 L291 | L243-I247 HydrophobicContact CD1-CD1 4.49Å; L243-I247 HydrophobicContact CD1-CG1 4.4Å; L243-I247 HydrophobicContact CG-CG1 4.5Å; L243-I247 VanDerWaalsContact O-CG1 3.3Å; L243-I247 WeakPolarHBondContact O-CG1 3.41Å; L243-I247 PolarHBondContact O-N 3.36Å; H244-I247 PolarHBondContact O-N 2.91Å; Y245-I247 VanDerWaalsContact C-N 3.32Å; Y245-I247 PolarHBondContact O-N 2.98Å; I247-N249 VanDerWaalsContact C-N 3.27Å; I247-N249 PolarHBondContact O-N 2.85Å; I247-E250 WeakPolarHBondContact O-CA 3.17Å; I247-E250 PolarHBondContact O-N 3.08Å; I247-A255 HydrophobicContact CD1-CB 4.06Å; I247-P275 HydrophobicContact CG1-CB 4.06Å; I247-P275 WeakPolarHBondContact CG2-O 3.5Å; I247-L278 HydrophobicContact CG2-CG 4.48Å; I247-V287 HydrophobicContact CD1-CB 3.72Å; I247-V287 HydrophobicContact CD1-CG1 4.29Å; I247-V287 HydrophobicContact CD1-CG2 4.12Å; I247-V287 HydrophobicContact CG2-CG2 3.86Å; I247-L291 HydrophobicContact CD1-CD1 3.66Å; I247-L291 HydrophobicContact CD1-CD2 4.2Å; I247-L291 HydrophobicContact CD1-CG 4.02Å; I247-L291 HydrophobicContact CG1-CD1 4.15Å |
| 248 | Y | 96.1 | Very high | 97.3 | Very high | 37 Ų | 37 | 29.3 Ų | 29.3 | 15% | 0.145 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.2 | -41.1 | 177.6 | -178.1 | -89.1 | 0 | 0 | 0 | 111.9 | F128 H244 Y245 E250 E282 K284 | F128-Y248 HydrophobicContact CB-CD1 3.69Å; F128-Y248 HydrophobicContact CB-CD2 4.15Å; F128-Y248 HydrophobicContact CB-CE1 3.31Å; F128-Y248 HydrophobicContact CB-CE2 3.81Å; F128-Y248 HydrophobicContact CB-CG 4.09Å; F128-Y248 AromaticContact CD1-CD1 3.55Å; F128-Y248 HydrophobicContact CD1-CD1 3.55Å; F128-Y248 AromaticContact CD1-CD2 3.71Å; F128-Y248 HydrophobicContact CD1-CD2 3.71Å; F128-Y248 HydrophobicContact CD1-CE1 4.12Å; F128-Y248 HydrophobicContact CD1-CE2 4.25Å; F128-Y248 AromaticContact CD1-CG 3.32Å; F128-Y248 HydrophobicContact CD1-CG 3.32Å; F128-Y248 AromaticContact CD2-CD2 3.77Å; F128-Y248 HydrophobicContact CD2-CD2 3.77Å; F128-Y248 AromaticContact CD2-CE2 3.76Å; F128-Y248 HydrophobicContact CD2-CE2 3.76Å; F128-Y248 HydrophobicContact CD2-CG 4.26Å; F128-Y248 HydrophobicContact CE1-CD1 4.4Å; F128-Y248 HydrophobicContact CE1-CD2 4.01Å; F128-Y248 AromaticContact CE1-CG 3.74Å; F128-Y248 HydrophobicContact CE1-CG 3.74Å; F128-Y248 HydrophobicContact CE2-CD2 4.1Å; F128-Y248 HydrophobicContact CE2-CE2 4.43Å; F128-Y248 AromaticContact CG-CD1 3.74Å; F128-Y248 HydrophobicContact CG-CD1 3.74Å; F128-Y248 AromaticContact CG-CD2 3.59Å; F128-Y248 HydrophobicContact CG-CD2 3.59Å; F128-Y248 AromaticContact CG-CE1 3.82Å; F128-Y248 HydrophobicContact CG-CE1 3.82Å; F128-Y248 AromaticContact CG-CE2 3.67Å; F128-Y248 HydrophobicContact CG-CE2 3.67Å; F128-Y248 AromaticContact CG-CG 3.62Å; F128-Y248 HydrophobicContact CG-CG 3.62Å; F128-Y248 AromaticContact CG-CZ 3.77Å; F128-Y248 HydrophobicContact CZ-CD2 4.2Å; F128-Y248 HydrophobicContact CZ-CG 4.38Å; H244-Y248 WeakPolarHBondContact O-CB 3.39Å; H244-Y248 PolarHBondContact O-N 2.8Å; Y245-Y248 PolarHBondContact O-N 2.99Å; Y248-E250 PolarHBondContact O-N 3.35Å; Y248-E282 HydrophobicContact CD2-CG 3.87Å; Y248-E282 HydrophobicContact CE2-CG 4.23Å; Y248-E282 WeakPolarHBondContact CE2-OE2 3.44Å; Y248-K284 VanDerWaalsContact O-CE 3.28Å; Y248-K284 WeakPolarHBondContact O-CE 3.44Å |
| 249 | N | 94.8 | Very high | 97.5 | Very high | 39 Ų | 39 | 28.4 Ų | 28.4 | 21% | 0.209 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -3.4 | 176.2 | -71 | -10.9 | 0 | 0 | 0 | 113.8 | I214 Y245 A246 I247 D251 | I214-N249 PolarHBondContact O-ND2 3.22Å; Y245-N249 WeakPolarHBondContact O-CB 3.46Å; Y245-N249 PolarHBondContact O-N 3.18Å; A246-N249 PolarHBondContact O-N 2.91Å; I247-N249 VanDerWaalsContact C-N 3.27Å; I247-N249 PolarHBondContact O-N 2.85Å; N249-D251 HydrophobicContact CB-CB 4.4Å; N249-D251 PolarHBondContact O-N 3.05Å |
| 250 | E | 95.9 | Very high | 97.6 | Very high | 78 Ų | 78 | 34.9 Ų | 34.9 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 23.5 | -172 | -157.7 | 164.9 | -172.1 | 0 | 0 | 113.6 | A246 I247 Y248 K252 K284 V287 | A246-E250 PolarHBondContact O-N 3.27Å; I247-E250 WeakPolarHBondContact O-CA 3.17Å; I247-E250 PolarHBondContact O-N 3.08Å; Y248-E250 PolarHBondContact O-N 3.35Å; E250-K252 PolarHBondContact O-N 2.84Å; E250-K252 VanDerWaalsContact O-N 3.15Å; E250-K284 HydrophobicContact CB-CD 4.04Å; E250-K284 HydrophobicContact CG-CB 4.18Å; E250-K284 HydrophobicContact CG-CD 4.2Å; E250-K284 IonicContact OE2-NZ 2.84Å; E250-V287 HydrophobicContact CG-CG1 4.38Å |
| 251 | D | 96.8 | Very high | 97.6 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 16% | 0.16 | 19% | 0.188 | C | C | . | . | trans | -88.3 | 89.9 | -177.6 | -169.3 | -16.7 | 0 | 0 | 0 | 111.5 | A246 N249 L253 M254 A255 | A246-D251 PolarHBondContact O-N 3.25Å; N249-D251 HydrophobicContact CB-CB 4.4Å; N249-D251 PolarHBondContact O-N 3.05Å; D251-L253 VanDerWaalsContact C-N 3.29Å; D251-L253 PolarHBondContact O-N 3.15Å; D251-L253 PolarHBondContact OD1-N 2.96Å; D251-M254 HydrophobicContact CB-CB 3.94Å; D251-M254 PolarHBondContact O-N 2.96Å; D251-M254 PolarHBondContact OD1-N 2.8Å; D251-M254 VanDerWaalsContact OD2-CB 3.28Å; D251-M254 WeakPolarHBondContact OD2-CB 3.34Å; D251-A255 WeakPolarHBondContact O-CB 3.3Å; D251-A255 PolarHBondContact O-N 2.81Å | ||
| 252 | K | 97.3 | Very high | 97.6 | Very high | 97 Ų | 97 | 40.8 Ų | 40.8 | 42% | 0.422 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.4 | -32.9 | 176.3 | 179.8 | -178.9 | 168.9 | -169.5 | 0 | 113.2 | E250 K256 V287 F290 | E250-K252 PolarHBondContact O-N 2.84Å; E250-K252 VanDerWaalsContact O-N 3.15Å; K252-K256 WeakPolarHBondContact O-CB 3.4Å; K252-K256 PolarHBondContact O-N 3.36Å; K252-V287 HydrophobicContact CB-CG1 4.12Å; K252-F290 HydrophobicContact CD-CB 4.19Å; K252-F290 HydrophobicContact CD-CG 4.45Å; K252-F290 HydrophobicContact CG-CB 4.05Å; K252-F290 HydrophobicContact CG-CD1 4.37Å; K252-F290 HydrophobicContact CG-CD2 4.14Å; K252-F290 HydrophobicContact CG-CG 3.92Å |
| 253 | L | 96.9 | Very high | 97.6 | Very high | 106 Ų | 106 | 41.3 Ų | 41.3 | 56% | 0.555 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -72.7 | -43.5 | -178.1 | -66.4 | 179.1 | 0 | 0 | 0 | 109.9 | W27 D251 K256 A257 | W27-L253 HydrophobicContact CH2-CD1 3.78Å; D251-L253 VanDerWaalsContact C-N 3.29Å; D251-L253 PolarHBondContact O-N 3.15Å; D251-L253 PolarHBondContact OD1-N 2.96Å; L253-K256 WeakPolarHBondContact O-CB 3.39Å; L253-K256 PolarHBondContact O-N 3.26Å; L253-A257 PolarHBondContact O-N 3.08Å |
| 254 | M | 98.3 | Very high | 97.6 | Very high | 9 Ų | 9 | 44.9 Ų | 44.9 | 4% | 0.044 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.3 | -44 | 174.4 | -168.9 | 55.4 | 66.6 | 0 | 0 | 112 | I214 D219 V222 A246 D251 K256 A257 L258 | I214-M254 HydrophobicContact CG1-CG 4.26Å; I214-M254 HydrophobicContact CG1-SD 4.38Å; I214-M254 HydrophobicContact CG2-CG 4.23Å; D219-M254 HydrophobicContact CB-CE 4.13Å; D219-M254 WeakPolarHBondContact OD1-CE 3.35Å; V222-M254 HydrophobicContact CB-CE 3.76Å; V222-M254 HydrophobicContact CB-SD 3.97Å; V222-M254 HydrophobicContact CG1-CE 3.81Å; V222-M254 HydrophobicContact CG1-SD 3.29Å; V222-M254 WeakPolarHBondContact CG1-SD 3.47Å; V222-M254 HydrophobicContact CG2-CE 3.87Å; V222-M254 HydrophobicContact CG2-SD 4.27Å; A246-M254 HydrophobicContact CB-CB 4.13Å; A246-M254 HydrophobicContact CB-CG 3.99Å; D251-M254 HydrophobicContact CB-CB 3.94Å; D251-M254 PolarHBondContact O-N 2.96Å; D251-M254 PolarHBondContact OD1-N 2.8Å; D251-M254 VanDerWaalsContact OD2-CB 3.28Å; D251-M254 WeakPolarHBondContact OD2-CB 3.34Å; M254-K256 VanDerWaalsContact C-N 3.26Å; M254-K256 PolarHBondContact O-N 3.04Å; M254-A257 PolarHBondContact O-N 3.23Å; M254-A257 VanDerWaalsContact O-N 3.11Å; M254-L258 HydrophobicContact CG-CD1 4.18Å; M254-L258 WeakPolarHBondContact O-CG 3.47Å; M254-L258 PolarHBondContact O-N 3.29Å |
| 255 | A | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.6 | -40.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L243 A246 I247 D251 L259 F290 | L243-A255 HydrophobicContact CD1-CB 3.91Å; A246-A255 HydrophobicContact CB-CB 4.3Å; I247-A255 HydrophobicContact CD1-CB 4.06Å; D251-A255 WeakPolarHBondContact O-CB 3.3Å; D251-A255 PolarHBondContact O-N 2.81Å; A255-L259 VanDerWaalsContact O-CG 3.32Å; A255-L259 WeakPolarHBondContact O-CG 3.27Å; A255-L259 PolarHBondContact O-N 2.91Å; A255-L259 VanDerWaalsContact O-N 3.09Å; A255-F290 HydrophobicContact CB-CD1 4.29Å; A255-F290 HydrophobicContact CB-CE1 3.94Å |
| 256 | K | 98.2 | Very high | 97.6 | Very high | 127 Ų | 127 | 49 Ų | 49 | 55% | 0.552 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -64.4 | -43.1 | 174.8 | -177 | -174.4 | 174.9 | -170.7 | 0 | 112.2 | K252 L253 M254 L260 F290 | K252-K256 WeakPolarHBondContact O-CB 3.4Å; K252-K256 PolarHBondContact O-N 3.36Å; L253-K256 WeakPolarHBondContact O-CB 3.39Å; L253-K256 PolarHBondContact O-N 3.26Å; M254-K256 VanDerWaalsContact C-N 3.26Å; M254-K256 PolarHBondContact O-N 3.04Å; K256-L260 PolarHBondContact O-N 3.35Å; K256-L260 VanDerWaalsContact O-N 3.09Å; K256-F290 HydrophobicContact CB-CE1 4.49Å; K256-F290 HydrophobicContact CB-CE2 4.2Å; K256-F290 HydrophobicContact CB-CZ 3.73Å; K256-F290 HydrophobicContact CG-CE2 4.43Å; K256-F290 HydrophobicContact CG-CZ 4.23Å |
| 257 | A | 98 | Very high | 97.5 | Very high | 20 Ų | 20 | 49.7 Ų | 49.7 | 17% | 0.165 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.9 | -49.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | L223 L253 M254 L259 L260 Y261 | L223-A257 HydrophobicContact CD2-CB 4.49Å; L253-A257 PolarHBondContact O-N 3.08Å; M254-A257 PolarHBondContact O-N 3.23Å; M254-A257 VanDerWaalsContact O-N 3.11Å; A257-L259 PolarHBondContact O-N 3.32Å; A257-L260 WeakPolarHBondContact O-CB 3.49Å; A257-L260 PolarHBondContact O-N 3.12Å; A257-Y261 WeakPolarHBondContact O-CD2 3.32Å; A257-Y261 PolarHBondContact O-N 2.96Å |
| 258 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.2 | -45.2 | 179.2 | -70.9 | 168.6 | 0 | 0 | 0 | 112.7 | I214 L226 R232 A242 L243 A246 M254 L260 Y261 G262 A263 | I214-L258 HydrophobicContact CD1-CD1 4Å; I214-L258 HydrophobicContact CD1-CD2 4Å; L226-L258 HydrophobicContact CD1-CD2 4.14Å; L226-L258 HydrophobicContact CD2-CD2 4.12Å; R232-L258 HydrophobicContact CB-CD2 4.08Å; A242-L258 HydrophobicContact CB-CD1 4.16Å; A242-L258 HydrophobicContact CB-CD2 3.85Å; A242-L258 WeakPolarHBondContact O-CD1 3.36Å; L243-L258 HydrophobicContact CB-CD1 4.5Å; L243-L258 HydrophobicContact CD1-CB 4.45Å; L243-L258 HydrophobicContact CD1-CD1 4.4Å; A246-L258 HydrophobicContact CB-CD1 3.76Å; M254-L258 HydrophobicContact CG-CD1 4.18Å; M254-L258 WeakPolarHBondContact O-CG 3.47Å; M254-L258 PolarHBondContact O-N 3.29Å; L258-L260 VanDerWaalsContact C-N 3.33Å; L258-L260 PolarHBondContact O-N 3.5Å; L258-Y261 CarbonylContact O-C 3.47Å; L258-Y261 PolarHBondContact O-N 3.17Å; L258-G262 PolarHBondContact O-N 3.14Å; L258-A263 HydrophobicContact CB-CB 3.86Å; L258-A263 WeakPolarHBondContact O-CB 3.43Å; L258-A263 PolarHBondContact O-N 3.04Å |
| 259 | L | 98.2 | Very high | 97.3 | Very high | 35 Ų | 35 | 54 Ų | 54 | 18% | 0.183 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.7 | -35.5 | 176.2 | -69.4 | 176.8 | 0 | 0 | 0 | 112.6 | L243 A255 A257 Y261 G262 A263 I265 F290 K294 | L243-L259 HydrophobicContact CD2-CD2 3.8Å; L243-L259 HydrophobicContact CD2-CG 4.49Å; A255-L259 VanDerWaalsContact O-CG 3.32Å; A255-L259 WeakPolarHBondContact O-CG 3.27Å; A255-L259 PolarHBondContact O-N 2.91Å; A255-L259 VanDerWaalsContact O-N 3.09Å; A257-L259 PolarHBondContact O-N 3.32Å; L259-Y261 VanDerWaalsContact C-N 3.27Å; L259-Y261 PolarHBondContact O-N 2.98Å; L259-G262 PolarHBondContact O-N 2.99Å; L259-G262 VanDerWaalsContact O-N 3.14Å; L259-A263 HydrophobicContact CD2-CB 4.45Å; L259-I265 HydrophobicContact CD1-CD1 4.24Å; L259-I265 HydrophobicContact CD2-CB 3.85Å; L259-I265 HydrophobicContact CD2-CD1 4.29Å; L259-I265 HydrophobicContact CD2-CG1 4.19Å; L259-F290 HydrophobicContact CD1-CE1 3.75Å; L259-F290 HydrophobicContact CD1-CZ 3.96Å; L259-K294 HydrophobicContact CD1-CB 4.34Å; L259-K294 HydrophobicContact CD1-CG 3.97Å |
| 260 | L | 97.9 | Very high | 97.2 | Very high | 146 Ų | 146 | 59.8 Ų | 59.8 | 76% | 0.764 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.5 | -35.7 | 174.6 | -177.7 | 66.8 | 0 | 0 | 0 | 111.7 | K256 A257 L258 G262 | K256-L260 PolarHBondContact O-N 3.35Å; K256-L260 VanDerWaalsContact O-N 3.09Å; A257-L260 WeakPolarHBondContact O-CB 3.49Å; A257-L260 PolarHBondContact O-N 3.12Å; L258-L260 VanDerWaalsContact C-N 3.33Å; L258-L260 PolarHBondContact O-N 3.5Å; L260-G262 VanDerWaalsContact C-N 3.26Å; L260-G262 PolarHBondContact O-N 3.47Å |
| 261 | Y | 97.9 | Very high | 96.9 | Very high | 87 Ų | 87 | 57.2 Ų | 57.2 | 34% | 0.341 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 10.2 | 175.5 | -78.8 | -84.9 | 0 | 0 | 0 | 113.8 | L226 E227 R232 A257 L258 L259 | L226-Y261 HydrophobicContact CB-CD1 4.05Å; L226-Y261 HydrophobicContact CB-CD2 4Å; L226-Y261 HydrophobicContact CB-CE1 4.08Å; L226-Y261 HydrophobicContact CB-CE2 4.03Å; L226-Y261 HydrophobicContact CB-CG 4.01Å; L226-Y261 HydrophobicContact CD1-CD2 3.86Å; L226-Y261 HydrophobicContact CD1-CE2 4.28Å; L226-Y261 HydrophobicContact CD1-CG 4.34Å; L226-Y261 HydrophobicContact CD2-CG 4.4Å; L226-Y261 HydrophobicContact CG-CD2 4.41Å; L226-Y261 HydrophobicContact CG-CG 4.49Å; E227-Y261 VanDerWaalsContact CG-OH 3.3Å; E227-Y261 WeakPolarHBondContact CG-OH 3.21Å; R232-Y261 VanDerWaalsContact CD-O 3.27Å; R232-Y261 WeakPolarHBondContact CD-O 3.29Å; A257-Y261 WeakPolarHBondContact O-CD2 3.32Å; A257-Y261 PolarHBondContact O-N 2.96Å; L258-Y261 CarbonylContact O-C 3.47Å; L258-Y261 PolarHBondContact O-N 3.17Å; L259-Y261 VanDerWaalsContact C-N 3.27Å; L259-Y261 PolarHBondContact O-N 2.98Å |
| 262 | G | 97.4 | Very high | 96.6 | Very high | 45 Ų | 45 | 56.5 Ų | 56.5 | 46% | 0.464 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 30.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | N233 L258 L259 L260 | N233-G262 PolarHBondContact ND2-O 3.41Å; L258-G262 PolarHBondContact O-N 3.14Å; L259-G262 PolarHBondContact O-N 2.99Å; L259-G262 VanDerWaalsContact O-N 3.14Å; L260-G262 VanDerWaalsContact C-N 3.26Å; L260-G262 PolarHBondContact O-N 3.47Å |
| 263 | A | 98.3 | Very high | 96.5 | Very high | 10 Ų | 10 | 52.1 Ų | 52.1 | 8% | 0.083 | 27% | 0.271 | C | S | . | . | trans | -62.8 | 138.8 | 167 | 0 | 0 | 0 | 0 | 0 | 111.4 | R232 N233 L243 L258 L259 I265 | R232-A263 HydrophobicContact CG-CB 3.77Å; N233-A263 WeakPolarHBondContact OD1-CA 3.31Å; L243-A263 HydrophobicContact CB-CB 4.39Å; L243-A263 HydrophobicContact CD2-CB 4.4Å; L258-A263 HydrophobicContact CB-CB 3.86Å; L258-A263 WeakPolarHBondContact O-CB 3.43Å; L258-A263 PolarHBondContact O-N 3.04Å; L259-A263 HydrophobicContact CD2-CB 4.45Å; A263-I265 PolarHBondContact O-N 2.96Å | ||
| 264 | D | 98.1 | Very high | 96.5 | Very high | 76 Ų | 76 | 47.1 Ų | 47.1 | 41% | 0.406 | 25% | 0.245 | S | C | . | . | trans | -75.8 | 110.4 | 176.6 | -179.3 | 10.6 | 0 | 0 | 0 | 111.1 | N233 E266 S267 | N233-D264 PolarHBondContact OD1-N 3.03Å; D264-E266 PolarHBondContact O-N 3.22Å; D264-E266 PolarHBondContact OD1-N 3.19Å; D264-S267 PolarHBondContact O-N 3.4Å; D264-S267 PolarHBondContact O-OG 3.22Å; D264-S267 PolarHBondContact OD1-N 2.65Å; D264-S267 PolarHBondContact OD2-N 3.36Å | ||
| 265 | I | 98.2 | Very high | 96.5 | Very high | 31 Ų | 31 | 46.7 Ų | 46.7 | 16% | 0.159 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -18.6 | 179.1 | -162.9 | 169.6 | 0 | 0 | 0 | 113.1 | L259 A263 P275 L291 K294 A296 | L259-I265 HydrophobicContact CD1-CD1 4.24Å; L259-I265 HydrophobicContact CD2-CB 3.85Å; L259-I265 HydrophobicContact CD2-CD1 4.29Å; L259-I265 HydrophobicContact CD2-CG1 4.19Å; A263-I265 PolarHBondContact O-N 2.96Å; I265-P275 WeakPolarHBondContact O-CD 3.15Å; I265-P275 WeakPolarHBondContact O-CG 3.49Å; I265-L291 HydrophobicContact CD1-CD2 3.86Å; I265-L291 HydrophobicContact CG1-CD2 3.91Å; I265-K294 HydrophobicContact CD1-CB 3.81Å; I265-A296 HydrophobicContact CD1-CB 3.81Å; I265-A296 HydrophobicContact CG1-CB 4.08Å |
| 266 | E | 97.9 | Very high | 96.5 | Very high | 56 Ų | 56 | 46.7 Ų | 46.7 | 26% | 0.262 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 5.4 | -177.1 | -59.2 | -53.5 | 143.9 | 0 | 0 | 113.4 | D264 K268 A296 N297 | D264-E266 PolarHBondContact O-N 3.22Å; D264-E266 PolarHBondContact OD1-N 3.19Å; E266-K268 PolarHBondContact O-N 2.93Å; E266-A296 WeakPolarHBondContact OE1-CA 3.29Å; E266-N297 PolarHBondContact OE1-N 3Å; E266-N297 WeakPolarHBondContact OE2-CB 3.5Å |
| 267 | S | 97 | Very high | 96.4 | Very high | 14 Ų | 14 | 40.7 Ų | 40.7 | 10% | 0.098 | 22% | 0.217 | C | C | . | . | trans | -55.7 | 132.5 | 178 | 53.9 | 0 | 0 | 0 | 0 | 111.1 | T241 H244 D264 T274 P275 | T241-S267 PolarHBondContact OG1-OG 3.09Å; H244-S267 PolarHBondContact CE1-O 2.88Å; H244-S267 PolarHBondContact CE1-OG 2.79Å; H244-S267 PolarHBondContact NE2-O 3.06Å; D264-S267 PolarHBondContact O-N 3.4Å; D264-S267 PolarHBondContact O-OG 3.22Å; D264-S267 PolarHBondContact OD1-N 2.65Å; D264-S267 PolarHBondContact OD2-N 3.36Å; S267-T274 WeakPolarHBondContact O-CA 3.31Å; S267-P275 WeakPolarHBondContact O-CD 3.49Å | ||
| 268 | K | 95.7 | Very high | 96.3 | Very high | 120 Ų | 120 | 39.8 Ų | 39.8 | 52% | 0.522 | 21% | 0.209 | S | C | . | . | trans | -102.5 | 131.8 | 178.4 | -68.8 | -171.7 | 178.9 | -163.5 | 0 | 111.3 | E266 L273 T274 L301 | E266-K268 PolarHBondContact O-N 2.93Å; K268-L273 WeakPolarHBondContact CA-O 3.28Å; K268-T274 HydrophobicContact CG-CG2 3.83Å; K268-L301 PolarHBondContact NZ-O 2.78Å | ||
| 269 | N | 94.8 | Very high | 96.2 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | trans | -77.3 | 178.1 | 167.9 | 74.4 | 12.4 | 0 | 0 | 0 | 111.9 | G239 N240 C271 G272 L273 | G239-N269 WeakPolarHBondContact O-CA 3.2Å; N240-N269 VanDerWaalsContact OD1-CB 3.31Å; N240-N269 WeakPolarHBondContact OD1-CB 3.48Å; N240-N269 PolarHBondContact OD1-ND2 3.16Å; N269-C271 PolarHBondContact O-N 3Å; N269-C271 VanDerWaalsContact O-N 3.12Å; N269-C271 WeakPolarHBondContact OD1-CA 3.48Å; N269-C271 WeakPolarHBondContact OD1-CB 3.45Å; N269-C271 PolarHBondContact OD1-N 3.15Å; N269-G272 WeakPolarHBondContact O-CA 3.34Å; N269-G272 PolarHBondContact O-N 3.35Å; N269-G272 PolarHBondContact OD1-N 3.21Å; N269-L273 PolarHBondContact N-O 3.12Å; N269-L273 WeakPolarHBondContact OD1-CB 3.38Å; N269-L273 PolarHBondContact OD1-N 3.45Å | ||
| 270 | K | 92.4 | Very high | 96.1 | Very high | 159 Ų | 159 | 38.1 Ų | 38.1 | 69% | 0.691 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -18.8 | -178.9 | -75 | -175.8 | 173.8 | 179.5 | 0 | 114.3 | E237 Y238 G272 | E237-K270 WeakPolarHBondContact O-CD 3.45Å; E237-K270 WeakPolarHBondContact O-CE 3.42Å; E237-K270 PolarHBondContact O-NZ 3.36Å; Y238-K270 VanDerWaalsContact O-CB 3.27Å; Y238-K270 WeakPolarHBondContact O-CB 3.43Å; Y238-K270 WeakPolarHBondContact O-CG 2.99Å; Y238-K270 PolarHBondContact O-N 3.47Å; K270-G272 VanDerWaalsContact C-N 3.25Å |
| 271 | C | 88.2 | Confident | 95.9 | Very high | 25 Ų | 25 | 32.5 Ų | 32.5 | 17% | 0.169 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 2.9 | 174.3 | -61.2 | 0 | 0 | 0 | 0 | 112.5 | Y123 N269 L273 R303 | Y123-C271 HydrophobicContact CD2-CB 3.77Å; Y123-C271 WeakPolarHBondContact CD2-SG 3.44Å; Y123-C271 HydrophobicContact CE2-CB 4.09Å; N269-C271 PolarHBondContact O-N 3Å; N269-C271 VanDerWaalsContact O-N 3.12Å; N269-C271 WeakPolarHBondContact OD1-CA 3.48Å; N269-C271 WeakPolarHBondContact OD1-CB 3.45Å; N269-C271 PolarHBondContact OD1-N 3.15Å; C271-L273 HydrophobicContact CB-CD1 4.41Å; C271-L273 HydrophobicContact CB-CG 4.11Å; C271-L273 PolarHBondContact O-N 3.4Å; C271-R303 WeakPolarHBondContact O-CB 3.43Å; C271-R303 WeakPolarHBondContact O-CG 3.29Å |
| 272 | G | 91.4 | Very high | 95.7 | Very high | 15 Ų | 15 | 30 Ų | 30 | 16% | 0.155 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 75.9 | 10.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N269 K270 | N269-G272 WeakPolarHBondContact O-CA 3.34Å; N269-G272 PolarHBondContact O-N 3.35Å; N269-G272 PolarHBondContact OD1-N 3.21Å; K270-G272 VanDerWaalsContact C-N 3.25Å |
| 273 | L | 94.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | trans | -83.7 | 129.6 | 179.9 | -54.3 | -179.1 | 0 | 0 | 0 | 109.6 | Y123 H244 K268 N269 C271 L277 L278 D302 | Y123-L273 HydrophobicContact CD2-CD1 3.73Å; Y123-L273 HydrophobicContact CE2-CD1 3.48Å; Y123-L273 VanDerWaalsContact CE2-CD1 3.48Å; H244-L273 PolarHBondContact NE2-O 3.35Å; K268-L273 WeakPolarHBondContact CA-O 3.28Å; N269-L273 PolarHBondContact N-O 3.12Å; N269-L273 WeakPolarHBondContact OD1-CB 3.38Å; N269-L273 PolarHBondContact OD1-N 3.45Å; C271-L273 HydrophobicContact CB-CD1 4.41Å; C271-L273 HydrophobicContact CB-CG 4.11Å; C271-L273 PolarHBondContact O-N 3.4Å; L273-L277 HydrophobicContact CB-CB 4.24Å; L273-L277 HydrophobicContact CD2-CB 3.96Å; L273-L278 HydrophobicContact CB-CB 4.48Å; L273-L278 HydrophobicContact CD1-CD1 4.29Å; L273-D302 HydrophobicContact CD2-CB 3.87Å | ||
| 274 | T | 97.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | trans | -80 | 167.3 | 162.3 | 61.8 | 0 | 0 | 0 | 0 | 110.2 | S267 K268 L276 L277 L278 V300 | S267-T274 WeakPolarHBondContact O-CA 3.31Å; K268-T274 HydrophobicContact CG-CG2 3.83Å; T274-L276 PolarHBondContact O-N 3.48Å; T274-L276 VanDerWaalsContact O-N 3.11Å; T274-L277 PolarHBondContact O-N 3.11Å; T274-L277 WeakPolarHBondContact OG1-CG 3.5Å; T274-L277 PolarHBondContact OG1-N 3.26Å; T274-L278 WeakPolarHBondContact O-CB 3.27Å; T274-L278 PolarHBondContact O-N 3.13Å; T274-V300 HydrophobicContact CG2-CB 4.37Å; T274-V300 HydrophobicContact CG2-CG1 3.71Å; T274-V300 HydrophobicContact CG2-CG2 4.4Å | ||
| 275 | P | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -48.3 | -37.6 | 170 | -31.3 | 34.1 | 0 | 0 | 0 | 113.5 | L243 I247 I265 S267 G279 L291 | L243-P275 HydrophobicContact CB-CG 4.42Å; L243-P275 HydrophobicContact CD2-CB 4.03Å; L243-P275 HydrophobicContact CD2-CG 3.69Å; L243-P275 HydrophobicContact CG-CB 4.02Å; L243-P275 HydrophobicContact CG-CG 3.89Å; I247-P275 HydrophobicContact CG1-CB 4.06Å; I247-P275 WeakPolarHBondContact CG2-O 3.5Å; I265-P275 WeakPolarHBondContact O-CD 3.15Å; I265-P275 WeakPolarHBondContact O-CG 3.49Å; S267-P275 WeakPolarHBondContact O-CD 3.49Å; P275-G279 PolarHBondContact O-N 3.28Å; P275-L291 HydrophobicContact CB-CD1 4.12Å; P275-L291 WeakPolarHBondContact O-CD1 3.39Å |
| 276 | L | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.3 | -52.8 | 175.9 | 179.4 | 70.5 | 0 | 0 | 0 | 111.6 | T274 L278 G279 V280 V288 L291 I292 A296 L298 | T274-L276 PolarHBondContact O-N 3.48Å; T274-L276 VanDerWaalsContact O-N 3.11Å; L276-L278 VanDerWaalsContact C-N 3.27Å; L276-L278 PolarHBondContact O-N 2.91Å; L276-G279 PolarHBondContact O-N 2.93Å; L276-G279 VanDerWaalsContact O-N 3.13Å; L276-V280 WeakPolarHBondContact O-CG2 3.41Å; L276-V280 PolarHBondContact O-N 3.09Å; L276-V288 HydrophobicContact CD1-CG1 4.15Å; L276-L291 HydrophobicContact CB-CD1 4.22Å; L276-L291 HydrophobicContact CD1-CB 3.99Å; L276-L291 HydrophobicContact CD1-CD1 4.41Å; L276-I292 HydrophobicContact CD1-CG1 4.16Å; L276-A296 HydrophobicContact CB-CB 4.23Å; L276-A296 HydrophobicContact CD2-CB 4.25Å; L276-L298 HydrophobicContact CD2-CD2 3.56Å |
| 277 | L | 96.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.3 | -35.5 | -178.8 | -59.8 | 177.7 | 0 | 0 | 0 | 111.5 | L273 T274 V280 H281 V300 D302 A308 L311 | L273-L277 HydrophobicContact CB-CB 4.24Å; L273-L277 HydrophobicContact CD2-CB 3.96Å; T274-L277 PolarHBondContact O-N 3.11Å; T274-L277 WeakPolarHBondContact OG1-CG 3.5Å; T274-L277 PolarHBondContact OG1-N 3.26Å; L277-V280 PolarHBondContact O-N 3.25Å; L277-H281 WeakPolarHBondContact O-CB 3.02Å; L277-H281 PolarHBondContact O-N 3.25Å; L277-V300 HydrophobicContact CD1-CB 4.35Å; L277-V300 HydrophobicContact CD1-CG1 4.04Å; L277-D302 HydrophobicContact CD1-CB 4.23Å; L277-A308 HydrophobicContact CD2-CB 3.82Å; L277-L311 HydrophobicContact CB-CD1 3.98Å; L277-L311 HydrophobicContact CD2-CD1 3.7Å; L277-L311 HydrophobicContact CG-CD1 4.25Å |
| 278 | L | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.6 | -48.4 | 171.9 | 178.8 | 61.4 | 0 | 0 | 0 | 111.4 | Y123 F128 H244 I247 L273 T274 L276 V280 H281 E282 | Y123-L278 HydrophobicContact CE1-CD1 4.14Å; Y123-L278 WeakPolarHBondContact OH-CD1 3.41Å; F128-L278 HydrophobicContact CZ-CD2 4.28Å; H244-L278 HydrophobicContact CB-CD2 3.82Å; H244-L278 WeakPolarHBondContact O-CD2 3.19Å; I247-L278 HydrophobicContact CG2-CG 4.48Å; L273-L278 HydrophobicContact CB-CB 4.48Å; L273-L278 HydrophobicContact CD1-CD1 4.29Å; T274-L278 WeakPolarHBondContact O-CB 3.27Å; T274-L278 PolarHBondContact O-N 3.13Å; L276-L278 VanDerWaalsContact C-N 3.27Å; L276-L278 PolarHBondContact O-N 2.91Å; L278-V280 PolarHBondContact O-N 2.92Å; L278-H281 PolarHBondContact O-N 3.26Å; L278-E282 HydrophobicContact CD1-CG 3.76Å; L278-E282 HydrophobicContact CG-CG 4.29Å; L278-E282 WeakPolarHBondContact O-CB 3.15Å; L278-E282 WeakPolarHBondContact O-CG 3.24Å; L278-E282 PolarHBondContact O-N 3.47Å |
| 279 | G | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.2 | -35.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P275 L276 Q283 K284 V288 | P275-G279 PolarHBondContact O-N 3.28Å; L276-G279 PolarHBondContact O-N 2.93Å; L276-G279 VanDerWaalsContact O-N 3.13Å; G279-Q283 PolarHBondContact O-N 2.85Å; G279-K284 PolarHBondContact O-N 2.96Å; G279-V288 WeakPolarHBondContact O-CG2 3.49Å |
| 280 | V | 96 | Very high | 95.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.4 | -48.8 | 173.8 | 173 | 0 | 0 | 0 | 0 | 111 | L276 L277 L278 E282 Q283 V288 A308 L311 A312 I320 | L276-V280 WeakPolarHBondContact O-CG2 3.41Å; L276-V280 PolarHBondContact O-N 3.09Å; L277-V280 PolarHBondContact O-N 3.25Å; L278-V280 PolarHBondContact O-N 2.92Å; V280-E282 PolarHBondContact O-N 3.43Å; V280-Q283 PolarHBondContact O-N 2.96Å; V280-V288 HydrophobicContact CG2-CG1 4.24Å; V280-V288 HydrophobicContact CG2-CG2 4.05Å; V280-A308 HydrophobicContact CG2-CB 4.49Å; V280-L311 HydrophobicContact CG1-CB 3.85Å; V280-A312 HydrophobicContact CG1-CB 3.7Å; V280-I320 HydrophobicContact CG1-CG2 4.21Å; V280-I320 HydrophobicContact CG2-CG2 3.99Å |
| 281 | H | 93.6 | Very high | 95.6 | Very high | 29 Ų | 29 | 25.6 Ų | 25.6 | 13% | 0.134 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.3 | -47 | 179.8 | -177.6 | -93.4 | 0 | 0 | 0 | 112.2 | Y123 L277 L278 Q283 | Y123-H281 AromaticContact CD1-CE1 3.56Å; Y123-H281 AromaticContact CD1-ND1 3.89Å; Y123-H281 AromaticContact CG-CE1 3.98Å; L277-H281 WeakPolarHBondContact O-CB 3.02Å; L277-H281 PolarHBondContact O-N 3.25Å; L278-H281 PolarHBondContact O-N 3.26Å; H281-Q283 PolarHBondContact O-N 3.31Å |
| 282 | E | 93.3 | Very high | 96 | Very high | 34 Ų | 34 | 25.2 Ų | 25.2 | 16% | 0.159 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 2.1 | 177.8 | -59.6 | -52 | 131.8 | 0 | 0 | 113.5 | Y123 H125 Y248 L278 V280 K284 | Y123-E282 WeakPolarHBondContact CE1-OE1 3.41Å; H125-E282 IonicContact CE1-OE1 3.23Å; H125-E282 PolarHBondContact CE1-OE1 3.09Å; H125-E282 IonicContact CE1-OE2 3.7Å; H125-E282 PolarHBondContact CE1-OE2 2.92Å; H125-E282 IonicContact ND1-OE1 3.55Å; H125-E282 IonicContact ND1-OE2 3.97Å; Y248-E282 HydrophobicContact CD2-CG 3.87Å; Y248-E282 HydrophobicContact CE2-CG 4.23Å; Y248-E282 WeakPolarHBondContact CE2-OE2 3.44Å; L278-E282 HydrophobicContact CD1-CG 3.76Å; L278-E282 HydrophobicContact CG-CG 4.29Å; L278-E282 WeakPolarHBondContact O-CB 3.15Å; L278-E282 WeakPolarHBondContact O-CG 3.24Å; L278-E282 PolarHBondContact O-N 3.47Å; V280-E282 PolarHBondContact O-N 3.43Å; E282-K284 VanDerWaalsContact C-N 3.28Å; E282-K284 HydrophobicContact CB-CD 4.27Å; E282-K284 HydrophobicContact CB-CG 3.65Å; E282-K284 WeakPolarHBondContact O-CD 3.38Å; E282-K284 PolarHBondContact O-N 3.37Å |
| 283 | Q | 94.9 | Very high | 96.3 | Very high | 99 Ų | 99 | 31.9 Ų | 31.9 | 46% | 0.463 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 33.5 | 179.3 | -53.2 | -180 | 49.2 | 0 | 0 | 114.5 | G279 V280 H281 Q285 C315 I320 | G279-Q283 PolarHBondContact O-N 2.85Å; V280-Q283 PolarHBondContact O-N 2.96Å; H281-Q283 PolarHBondContact O-N 3.31Å; Q283-Q285 PolarHBondContact O-N 2.85Å; Q283-Q285 VanDerWaalsContact O-N 3.07Å; Q283-C315 HydrophobicContact CG-CB 4.03Å; Q283-C315 PolarHBondContact NE2-O 3.25Å; Q283-I320 HydrophobicContact CB-CD1 4.43Å |
| 284 | K | 94.8 | Very high | 96.4 | Very high | 50 Ų | 50 | 36.9 Ų | 36.9 | 22% | 0.217 | 17% | 0.166 | C | C | . | . | trans | -85.9 | 75.2 | -176.1 | -54.1 | -55.6 | -166.2 | 168.8 | 0 | 111.7 | Y248 E250 G279 E282 Q286 V287 V288 | Y248-K284 VanDerWaalsContact O-CE 3.28Å; Y248-K284 WeakPolarHBondContact O-CE 3.44Å; E250-K284 HydrophobicContact CB-CD 4.04Å; E250-K284 HydrophobicContact CG-CB 4.18Å; E250-K284 HydrophobicContact CG-CD 4.2Å; E250-K284 IonicContact OE2-NZ 2.84Å; G279-K284 PolarHBondContact O-N 2.96Å; E282-K284 VanDerWaalsContact C-N 3.28Å; E282-K284 HydrophobicContact CB-CD 4.27Å; E282-K284 HydrophobicContact CB-CG 3.65Å; E282-K284 WeakPolarHBondContact O-CD 3.38Å; E282-K284 PolarHBondContact O-N 3.37Å; K284-Q286 VanDerWaalsContact C-N 3.29Å; K284-Q286 PolarHBondContact O-N 2.65Å; K284-Q286 VanDerWaalsContact O-N 3.16Å; K284-V287 HydrophobicContact CB-CG2 3.34Å; K284-V287 HydrophobicContact CG-CG2 4.41Å; K284-V287 WeakPolarHBondContact O-CG2 3.43Å; K284-V287 PolarHBondContact O-N 3.39Å; K284-V288 WeakPolarHBondContact O-CG2 3.14Å; K284-V288 PolarHBondContact O-N 3.49Å | ||
| 285 | Q | 95.1 | Very high | 96.3 | Very high | 70 Ų | 70 | 46 Ų | 46 | 33% | 0.327 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -52.7 | -41.5 | -171.1 | -171.7 | -174.2 | -2.3 | 0 | 0 | 113.9 | Q283 V288 K289 I320 L323 | Q283-Q285 PolarHBondContact O-N 2.85Å; Q283-Q285 VanDerWaalsContact O-N 3.07Å; Q285-V288 PolarHBondContact O-N 2.98Å; Q285-K289 WeakPolarHBondContact O-CB 3.48Å; Q285-K289 PolarHBondContact O-N 2.92Å; Q285-I320 HydrophobicContact CB-CG1 4.39Å; Q285-I320 HydrophobicContact CG-CG1 4.47Å; Q285-L323 HydrophobicContact CG-CD1 3.67Å |
| 286 | Q | 96 | Very high | 96.2 | Very high | 100 Ų | 100 | 46.2 Ų | 46.2 | 47% | 0.467 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.9 | -41.3 | -174.7 | -65.9 | -56.7 | -35.6 | 0 | 0 | 112.8 | K284 F290 | K284-Q286 VanDerWaalsContact C-N 3.29Å; K284-Q286 PolarHBondContact O-N 2.65Å; K284-Q286 VanDerWaalsContact O-N 3.16Å; Q286-F290 WeakPolarHBondContact O-CB 3.28Å; Q286-F290 PolarHBondContact O-N 2.9Å; Q286-F290 VanDerWaalsContact O-N 3.14Å |
| 287 | V | 97 | Very high | 96 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -78.9 | -33.2 | 178.8 | -64.5 | 0 | 0 | 0 | 0 | 111.7 | I247 E250 K252 K284 F290 L291 | I247-V287 HydrophobicContact CD1-CB 3.72Å; I247-V287 HydrophobicContact CD1-CG1 4.29Å; I247-V287 HydrophobicContact CD1-CG2 4.12Å; I247-V287 HydrophobicContact CG2-CG2 3.86Å; E250-V287 HydrophobicContact CG-CG1 4.38Å; K252-V287 HydrophobicContact CB-CG1 4.12Å; K284-V287 HydrophobicContact CB-CG2 3.34Å; K284-V287 HydrophobicContact CG-CG2 4.41Å; K284-V287 WeakPolarHBondContact O-CG2 3.43Å; K284-V287 PolarHBondContact O-N 3.39Å; V287-F290 WeakPolarHBondContact O-CB 3.47Å; V287-F290 PolarHBondContact O-N 3.38Å; V287-F290 VanDerWaalsContact O-N 3.15Å; V287-L291 WeakPolarHBondContact O-CG 3.46Å; V287-L291 PolarHBondContact O-N 3.41Å |
| 288 | V | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.8 | -51.1 | 170.2 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | L276 G279 V280 K284 Q285 F290 L291 I292 I320 | L276-V288 HydrophobicContact CD1-CG1 4.15Å; G279-V288 WeakPolarHBondContact O-CG2 3.49Å; V280-V288 HydrophobicContact CG2-CG1 4.24Å; V280-V288 HydrophobicContact CG2-CG2 4.05Å; K284-V288 WeakPolarHBondContact O-CG2 3.14Å; K284-V288 PolarHBondContact O-N 3.49Å; Q285-V288 PolarHBondContact O-N 2.98Å; V288-F290 PolarHBondContact O-N 3.5Å; V288-L291 PolarHBondContact O-N 3.29Å; V288-L291 VanDerWaalsContact O-N 3.13Å; V288-I292 HydrophobicContact CG1-CD1 3.92Å; V288-I292 HydrophobicContact CG1-CG1 4.43Å; V288-I292 WeakPolarHBondContact O-CG1 3.39Å; V288-I292 PolarHBondContact O-N 3.24Å; V288-I320 HydrophobicContact CG1-CG2 4.21Å; V288-I320 HydrophobicContact CG2-CD1 4.34Å |
| 289 | K | 97.4 | Very high | 95.5 | Very high | 92 Ų | 92 | 56.9 Ų | 56.9 | 40% | 0.4 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.9 | -35.6 | 176 | -173 | 171.1 | -172.5 | 165.8 | 0 | 112.2 | Q285 K293 L323 | Q285-K289 WeakPolarHBondContact O-CB 3.48Å; Q285-K289 PolarHBondContact O-N 2.92Å; K289-K293 WeakPolarHBondContact O-CG 3.49Å; K289-K293 PolarHBondContact O-N 2.8Å; K289-L323 HydrophobicContact CB-CD1 4.11Å; K289-L323 HydrophobicContact CD-CD2 4.04Å; K289-L323 HydrophobicContact CG-CD2 4.22Å |
| 290 | F | 97.9 | Very high | 95.3 | Very high | 17 Ų | 17 | 57.5 Ų | 57.5 | 8% | 0.075 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.8 | -44.9 | 176 | 170 | -106.7 | 0 | 0 | 0 | 112.6 | K252 A255 K256 L259 Q286 V287 V288 K293 K294 | K252-F290 HydrophobicContact CD-CB 4.19Å; K252-F290 HydrophobicContact CD-CG 4.45Å; K252-F290 HydrophobicContact CG-CB 4.05Å; K252-F290 HydrophobicContact CG-CD1 4.37Å; K252-F290 HydrophobicContact CG-CD2 4.14Å; K252-F290 HydrophobicContact CG-CG 3.92Å; A255-F290 HydrophobicContact CB-CD1 4.29Å; A255-F290 HydrophobicContact CB-CE1 3.94Å; K256-F290 HydrophobicContact CB-CE1 4.49Å; K256-F290 HydrophobicContact CB-CE2 4.2Å; K256-F290 HydrophobicContact CB-CZ 3.73Å; K256-F290 HydrophobicContact CG-CE2 4.43Å; K256-F290 HydrophobicContact CG-CZ 4.23Å; L259-F290 HydrophobicContact CD1-CE1 3.75Å; L259-F290 HydrophobicContact CD1-CZ 3.96Å; Q286-F290 WeakPolarHBondContact O-CB 3.28Å; Q286-F290 PolarHBondContact O-N 2.9Å; Q286-F290 VanDerWaalsContact O-N 3.14Å; V287-F290 WeakPolarHBondContact O-CB 3.47Å; V287-F290 PolarHBondContact O-N 3.38Å; V287-F290 VanDerWaalsContact O-N 3.15Å; V288-F290 PolarHBondContact O-N 3.5Å; F290-K293 WeakPolarHBondContact O-CB 3.41Å; F290-K293 PolarHBondContact O-N 3.35Å; F290-K294 HydrophobicContact CD2-CG 4.4Å; F290-K294 HydrophobicContact CE1-CG 4.22Å; F290-K294 HydrophobicContact CE2-CD 4.41Å; F290-K294 HydrophobicContact CE2-CG 3.9Å; F290-K294 HydrophobicContact CZ-CD 4.41Å; F290-K294 HydrophobicContact CZ-CG 3.79Å; F290-K294 WeakPolarHBondContact O-CG 3.46Å; F290-K294 PolarHBondContact O-N 3.23Å |
| 291 | L | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 178.6 | -70.7 | 174.8 | 0 | 0 | 0 | 112 | I247 I265 P275 L276 V287 V288 K293 K294 K295 A296 | I247-L291 HydrophobicContact CD1-CD1 3.66Å; I247-L291 HydrophobicContact CD1-CD2 4.2Å; I247-L291 HydrophobicContact CD1-CG 4.02Å; I247-L291 HydrophobicContact CG1-CD1 4.15Å; I265-L291 HydrophobicContact CD1-CD2 3.86Å; I265-L291 HydrophobicContact CG1-CD2 3.91Å; P275-L291 HydrophobicContact CB-CD1 4.12Å; P275-L291 WeakPolarHBondContact O-CD1 3.39Å; L276-L291 HydrophobicContact CB-CD1 4.22Å; L276-L291 HydrophobicContact CD1-CB 3.99Å; L276-L291 HydrophobicContact CD1-CD1 4.41Å; V287-L291 WeakPolarHBondContact O-CG 3.46Å; V287-L291 PolarHBondContact O-N 3.41Å; V288-L291 PolarHBondContact O-N 3.29Å; V288-L291 VanDerWaalsContact O-N 3.13Å; L291-K293 VanDerWaalsContact C-N 3.33Å; L291-K293 PolarHBondContact O-N 3.22Å; L291-K294 CarbonylContact O-C 3.38Å; L291-K294 WeakPolarHBondContact O-CA 3.48Å; L291-K294 WeakPolarHBondContact O-CB 3.32Å; L291-K294 PolarHBondContact O-N 3.39Å; L291-K295 PolarHBondContact O-N 2.99Å; L291-A296 HydrophobicContact CB-CB 4.1Å; L291-A296 WeakPolarHBondContact O-CB 3.49Å; L291-A296 PolarHBondContact O-N 3.33Å; L291-A296 VanDerWaalsContact O-N 3.1Å |
| 292 | I | 96.6 | Very high | 94.9 | Very high | 17 Ų | 17 | 60.4 Ų | 60.4 | 9% | 0.087 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57 | -47.4 | 172.4 | -66.2 | 174.3 | 0 | 0 | 0 | 110.4 | L276 V288 K294 K295 L298 L323 L324 Q327 | L276-I292 HydrophobicContact CD1-CG1 4.16Å; V288-I292 HydrophobicContact CG1-CD1 3.92Å; V288-I292 HydrophobicContact CG1-CG1 4.43Å; V288-I292 WeakPolarHBondContact O-CG1 3.39Å; V288-I292 PolarHBondContact O-N 3.24Å; I292-K294 PolarHBondContact O-N 3.13Å; I292-K295 WeakPolarHBondContact O-CA 3.47Å; I292-K295 PolarHBondContact O-N 2.97Å; I292-L298 HydrophobicContact CG1-CD2 4.09Å; I292-L323 HydrophobicContact CD1-CB 4.47Å; I292-L324 HydrophobicContact CD1-CD2 3.99Å; I292-Q327 VanDerWaalsContact CG2-CD 3.46Å; I292-Q327 HydrophobicContact CG2-CG 3.6Å |
| 293 | K | 97 | Very high | 94.8 | Very high | 155 Ų | 155 | 64.4 Ų | 64.4 | 67% | 0.674 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.1 | -25.5 | 175.3 | -74.8 | -179.5 | 177.1 | -165.7 | 0 | 113.5 | K289 F290 L291 | K289-K293 WeakPolarHBondContact O-CG 3.49Å; K289-K293 PolarHBondContact O-N 2.8Å; F290-K293 WeakPolarHBondContact O-CB 3.41Å; F290-K293 PolarHBondContact O-N 3.35Å; L291-K293 VanDerWaalsContact C-N 3.33Å; L291-K293 PolarHBondContact O-N 3.22Å |
| 294 | K | 97.1 | Very high | 94.5 | Very high | 109 Ų | 109 | 63.1 Ų | 63.1 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 9.3 | 174.1 | -69.7 | -63.4 | -173.4 | 177.3 | 0 | 113.4 | L259 I265 F290 L291 I292 A296 | L259-K294 HydrophobicContact CD1-CB 4.34Å; L259-K294 HydrophobicContact CD1-CG 3.97Å; I265-K294 HydrophobicContact CD1-CB 3.81Å; F290-K294 HydrophobicContact CD2-CG 4.4Å; F290-K294 HydrophobicContact CE1-CG 4.22Å; F290-K294 HydrophobicContact CE2-CD 4.41Å; F290-K294 HydrophobicContact CE2-CG 3.9Å; F290-K294 HydrophobicContact CZ-CD 4.41Å; F290-K294 HydrophobicContact CZ-CG 3.79Å; F290-K294 WeakPolarHBondContact O-CG 3.46Å; F290-K294 PolarHBondContact O-N 3.23Å; L291-K294 CarbonylContact O-C 3.38Å; L291-K294 WeakPolarHBondContact O-CA 3.48Å; L291-K294 WeakPolarHBondContact O-CB 3.32Å; L291-K294 PolarHBondContact O-N 3.39Å; I292-K294 PolarHBondContact O-N 3.13Å; K294-A296 VanDerWaalsContact C-N 3.29Å; K294-A296 PolarHBondContact O-N 2.9Å |
| 295 | K | 94.9 | Very high | 94.3 | Very high | 192 Ų | 192 | 61.1 Ų | 61.1 | 84% | 0.835 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 35.7 | 178.8 | -55.7 | -176.2 | 174.8 | -174.8 | 0 | 112.9 | L291 I292 | L291-K295 PolarHBondContact O-N 2.99Å; I292-K295 WeakPolarHBondContact O-CA 3.47Å; I292-K295 PolarHBondContact O-N 2.97Å |
| 296 | A | 95.9 | Very high | 94.1 | Very high | 5 Ų | 5 | 59.2 Ų | 59.2 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | trans | -55.7 | 141.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | I265 E266 L276 L291 K294 L298 | I265-A296 HydrophobicContact CD1-CB 3.81Å; I265-A296 HydrophobicContact CG1-CB 4.08Å; E266-A296 WeakPolarHBondContact OE1-CA 3.29Å; L276-A296 HydrophobicContact CB-CB 4.23Å; L276-A296 HydrophobicContact CD2-CB 4.25Å; L291-A296 HydrophobicContact CB-CB 4.1Å; L291-A296 WeakPolarHBondContact O-CB 3.49Å; L291-A296 PolarHBondContact O-N 3.33Å; L291-A296 VanDerWaalsContact O-N 3.1Å; K294-A296 VanDerWaalsContact C-N 3.29Å; K294-A296 PolarHBondContact O-N 2.9Å; A296-L298 PolarHBondContact O-N 3.29Å | ||
| 297 | N | 94.6 | Very high | 94 | Very high | 75 Ų | 75 | 55.1 Ų | 55.1 | 40% | 0.401 | 26% | 0.255 | S | S | . | . | trans | -68.7 | 119 | -176.1 | -177.9 | 5.7 | 0 | 0 | 0 | 110.9 | E266 N299 V300 | E266-N297 PolarHBondContact OE1-N 3Å; E266-N297 WeakPolarHBondContact OE2-CB 3.5Å; N297-N299 WeakPolarHBondContact OD1-CB 3.43Å; N297-N299 PolarHBondContact OD1-N 2.76Å; N297-V300 HydrophobicContact CB-CG2 3.62Å; N297-V300 WeakPolarHBondContact ND2-CG2 3.16Å; N297-V300 WeakPolarHBondContact O-CG2 3.32Å | ||
| 298 | L | 92.8 | Very high | 93.9 | Very high | 31 Ų | 31 | 55.2 Ų | 55.2 | 16% | 0.162 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -19.3 | -179.7 | -57.3 | -177 | 0 | 0 | 0 | 113.1 | L276 I292 A296 V300 L324 Q327 V329 | L276-L298 HydrophobicContact CD2-CD2 3.56Å; I292-L298 HydrophobicContact CG1-CD2 4.09Å; A296-L298 PolarHBondContact O-N 3.29Å; L298-V300 PolarHBondContact O-N 3.34Å; L298-L324 HydrophobicContact CD2-CD2 4.14Å; L298-Q327 HydrophobicContact CD1-CB 3.45Å; L298-Q327 VanDerWaalsContact CD1-CB 3.45Å; L298-Q327 HydrophobicContact CD1-CG 3.91Å; L298-V329 HydrophobicContact CB-CG1 4.22Å; L298-V329 HydrophobicContact CD1-CG1 3.75Å |
| 299 | N | 89.7 | Confident | 93.8 | Very high | 120 Ų | 120 | 55.5 Ų | 55.5 | 64% | 0.642 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | 8.7 | -176.7 | -61.4 | -26 | 0 | 0 | 0 | 112.4 | N297 | N297-N299 WeakPolarHBondContact OD1-CB 3.43Å; N297-N299 PolarHBondContact OD1-N 2.76Å |
| 300 | V | 91.6 | Very high | 93.6 | Very high | 13 Ų | 13 | 51.1 Ų | 51.1 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | trans | -73.4 | 136.8 | 178.5 | -172.1 | 0 | 0 | 0 | 0 | 109.8 | T274 L277 N297 L298 | T274-V300 HydrophobicContact CG2-CB 4.37Å; T274-V300 HydrophobicContact CG2-CG1 3.71Å; T274-V300 HydrophobicContact CG2-CG2 4.4Å; L277-V300 HydrophobicContact CD1-CB 4.35Å; L277-V300 HydrophobicContact CD1-CG1 4.04Å; N297-V300 HydrophobicContact CB-CG2 3.62Å; N297-V300 WeakPolarHBondContact ND2-CG2 3.16Å; N297-V300 WeakPolarHBondContact O-CG2 3.32Å; L298-V300 PolarHBondContact O-N 3.34Å | ||
| 301 | L | 92.1 | Very high | 93.4 | Very high | 78 Ų | 78 | 50.3 Ų | 50.3 | 41% | 0.408 | 24% | 0.235 | S | C | . | . | trans | -102.8 | 140.8 | 176.4 | -50.5 | -178.8 | 0 | 0 | 0 | 110.6 | K268 R306 T307 | K268-L301 PolarHBondContact NZ-O 2.78Å; L301-R306 WeakPolarHBondContact CA-O 3.45Å; L301-T307 HydrophobicContact CD2-CG2 3.66Å | ||
| 302 | D | 89.6 | Confident | 93.2 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 6% | 0.059 | 24% | 0.235 | C | C | . | . | trans | -75.2 | -176.6 | 167.9 | 80.8 | -10.8 | 0 | 0 | 0 | 111.8 | L273 L277 Y304 G305 R306 L311 | L273-D302 HydrophobicContact CD2-CB 3.87Å; L277-D302 HydrophobicContact CD1-CB 4.23Å; D302-Y304 PolarHBondContact O-N 2.89Å; D302-Y304 VanDerWaalsContact O-N 3.09Å; D302-Y304 WeakPolarHBondContact OD1-CA 3.47Å; D302-Y304 WeakPolarHBondContact OD1-CB 3.41Å; D302-Y304 PolarHBondContact OD1-N 3.17Å; D302-G305 PolarHBondContact O-N 3.26Å; D302-G305 PolarHBondContact OD1-N 3.07Å; D302-G305 VanDerWaalsContact OD1-N 3.16Å; D302-R306 PolarHBondContact N-O 3.04Å; D302-R306 VanDerWaalsContact N-O 3.15Å; D302-R306 WeakPolarHBondContact OD1-CB 3.41Å; D302-R306 PolarHBondContact OD1-N 3.35Å; D302-R306 IonicContact OD1-NE 3.68Å; D302-R306 IonicContact OD2-CZ 3.29Å; D302-R306 IonicContact OD2-NE 2.95Å; D302-R306 PolarHBondContact OD2-NE 3.01Å; D302-R306 IonicContact OD2-NH2 2.82Å; D302-R306 PolarHBondContact OD2-NH2 2.85Å; D302-L311 HydrophobicContact CB-CD1 4.38Å | ||
| 303 | R | 89.9 | Confident | 93.1 | Very high | 118 Ų | 118 | 49.5 Ų | 49.5 | 45% | 0.445 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -14.4 | 178.7 | 68.8 | 178.9 | -76.3 | -153.5 | -3.7 | 114.9 | D122 C271 | D122-R303 IonicContact OD2-CZ 3.21Å; D122-R303 IonicContact OD2-NH1 2.73Å; D122-R303 PolarHBondContact OD2-NH1 3.25Å; D122-R303 IonicContact OD2-NH2 3.74Å; C271-R303 WeakPolarHBondContact O-CB 3.43Å; C271-R303 WeakPolarHBondContact O-CG 3.29Å |
| 304 | Y | 89 | Confident | 92.8 | Very high | 72 Ų | 72 | 42.4 Ų | 42.4 | 28% | 0.282 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 7.6 | 178.6 | -58.3 | -73.2 | 0 | 0 | 0 | 112.1 | G121 D302 R306 L336 | G121-Y304 PolarHBondContact O-OH 3.32Å; D302-Y304 PolarHBondContact O-N 2.89Å; D302-Y304 VanDerWaalsContact O-N 3.09Å; D302-Y304 WeakPolarHBondContact OD1-CA 3.47Å; D302-Y304 WeakPolarHBondContact OD1-CB 3.41Å; D302-Y304 PolarHBondContact OD1-N 3.17Å; Y304-R306 PolarHBondContact O-N 2.93Å; Y304-L336 WeakPolarHBondContact O-CB 3.49Å; Y304-L336 VanDerWaalsContact O-CG 3.28Å; Y304-L336 WeakPolarHBondContact O-CG 3.25Å; Y304-L336 PolarHBondContact O-N 2.92Å; Y304-L336 VanDerWaalsContact O-N 3.09Å |
| 305 | G | 90.6 | Very high | 92.4 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 9% | 0.093 | 18% | 0.184 | C | C | . | . | trans | 73.4 | 14.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D302 | D302-G305 PolarHBondContact O-N 3.26Å; D302-G305 PolarHBondContact OD1-N 3.07Å; D302-G305 VanDerWaalsContact OD1-N 3.16Å | ||
| 306 | R | 91.6 | Very high | 92.2 | Very high | 29 Ų | 29 | 30.3 Ų | 30.3 | 11% | 0.109 | 16% | 0.157 | C | C | . | . | trans | -83 | 132.4 | -177.3 | -60.2 | 178.9 | -62.7 | 177.6 | 1.7 | 110.1 | L301 D302 Y304 I310 L311 D335 | L301-R306 WeakPolarHBondContact CA-O 3.45Å; D302-R306 PolarHBondContact N-O 3.04Å; D302-R306 VanDerWaalsContact N-O 3.15Å; D302-R306 WeakPolarHBondContact OD1-CB 3.41Å; D302-R306 PolarHBondContact OD1-N 3.35Å; D302-R306 IonicContact OD1-NE 3.68Å; D302-R306 IonicContact OD2-CZ 3.29Å; D302-R306 IonicContact OD2-NE 2.95Å; D302-R306 PolarHBondContact OD2-NE 3.01Å; D302-R306 IonicContact OD2-NH2 2.82Å; D302-R306 PolarHBondContact OD2-NH2 2.85Å; Y304-R306 PolarHBondContact O-N 2.93Å; R306-I310 HydrophobicContact CB-CB 4.14Å; R306-I310 HydrophobicContact CB-CG2 3.94Å; R306-I310 HydrophobicContact CG-CG2 3.86Å; R306-L311 HydrophobicContact CB-CD2 4.04Å; R306-L311 HydrophobicContact CB-CG 3.99Å; R306-L311 VanDerWaalsContact NE-CD2 3.31Å; R306-L311 VanDerWaalsContact NH2-CD2 3.28Å; R306-D335 HydrophobicContact CG-CB 3.71Å | ||
| 307 | T | 93.8 | Very high | 92.1 | Very high | 15 Ų | 15 | 30.7 Ų | 30.7 | 9% | 0.092 | 16% | 0.16 | C | C | . | . | trans | -72 | 166.1 | 169.5 | 65.2 | 0 | 0 | 0 | 0 | 110.9 | L301 L309 I310 L311 | L301-T307 HydrophobicContact CD2-CG2 3.66Å; T307-L309 PolarHBondContact O-N 3.34Å; T307-L309 PolarHBondContact OG1-N 2.84Å; T307-I310 PolarHBondContact O-N 3.42Å; T307-I310 WeakPolarHBondContact OG1-CG1 3.04Å; T307-I310 PolarHBondContact OG1-N 3.49Å; T307-L311 WeakPolarHBondContact O-CG 3.34Å; T307-L311 PolarHBondContact O-N 3.24Å | ||
| 308 | A | 94.7 | Very high | 92 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.017 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -54.6 | -34.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | L277 V280 A312 L324 | L277-A308 HydrophobicContact CD2-CB 3.82Å; V280-A308 HydrophobicContact CG2-CB 4.49Å; A308-A312 WeakPolarHBondContact O-CB 3.43Å; A308-A312 PolarHBondContact O-N 3.22Å; A308-L324 HydrophobicContact CB-CD1 4.02Å; A308-L324 HydrophobicContact CB-CD2 4.15Å; A308-L324 WeakPolarHBondContact O-CD1 3.39Å |
| 309 | L | 95.4 | Very high | 92.2 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.4 | -50 | 177.9 | -178.9 | 67.2 | 0 | 0 | 0 | 111.5 | T307 L311 A312 V313 V321 L324 L325 V329 V331 A341 L357 | T307-L309 PolarHBondContact O-N 3.34Å; T307-L309 PolarHBondContact OG1-N 2.84Å; L309-L311 VanDerWaalsContact C-N 3.28Å; L309-L311 PolarHBondContact O-N 3.29Å; L309-A312 PolarHBondContact O-N 2.95Å; L309-V313 WeakPolarHBondContact O-CG2 3.13Å; L309-V313 PolarHBondContact O-N 3.38Å; L309-V321 HydrophobicContact CD1-CG1 4.07Å; L309-L324 HydrophobicContact CD1-CB 4.41Å; L309-L325 HydrophobicContact CD1-CD2 4.2Å; L309-L325 HydrophobicContact CD1-CG 4.43Å; L309-L325 HydrophobicContact CD2-CD2 4.39Å; L309-V329 HydrophobicContact CB-CG2 4.47Å; L309-V329 HydrophobicContact CD2-CG2 4.15Å; L309-V331 HydrophobicContact CD2-CB 4.16Å; L309-V331 HydrophobicContact CD2-CG1 3.78Å; L309-A341 HydrophobicContact CD2-CB 3.97Å; L309-A341 HydrophobicContact CG-CB 3.95Å; L309-L357 HydrophobicContact CD2-CD2 4.42Å |
| 310 | I | 93.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.8 | -46.2 | 178.1 | -65.1 | 171.3 | 0 | 0 | 0 | 109.6 | R306 T307 A312 V313 C314 D335 A341 Y344 | R306-I310 HydrophobicContact CB-CB 4.14Å; R306-I310 HydrophobicContact CB-CG2 3.94Å; R306-I310 HydrophobicContact CG-CG2 3.86Å; T307-I310 PolarHBondContact O-N 3.42Å; T307-I310 WeakPolarHBondContact OG1-CG1 3.04Å; T307-I310 PolarHBondContact OG1-N 3.49Å; I310-A312 PolarHBondContact O-N 3.14Å; I310-V313 PolarHBondContact O-N 3.11Å; I310-C314 PolarHBondContact O-N 3.42Å; I310-C314 PolarHBondContact O-SG 3.4Å; I310-D335 HydrophobicContact CD1-CB 4.23Å; I310-A341 HydrophobicContact CG1-CB 4.04Å; I310-Y344 HydrophobicContact CG2-CD2 3.7Å; I310-Y344 HydrophobicContact CG2-CE2 3.78Å |
| 311 | L | 92.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57 | -47.4 | 175.5 | -73.1 | 178.5 | 0 | 0 | 0 | 112.9 | L277 V280 D302 R306 T307 L309 V313 C314 C315 | L277-L311 HydrophobicContact CB-CD1 3.98Å; L277-L311 HydrophobicContact CD2-CD1 3.7Å; L277-L311 HydrophobicContact CG-CD1 4.25Å; V280-L311 HydrophobicContact CG1-CB 3.85Å; D302-L311 HydrophobicContact CB-CD1 4.38Å; R306-L311 HydrophobicContact CB-CD2 4.04Å; R306-L311 HydrophobicContact CB-CG 3.99Å; R306-L311 VanDerWaalsContact NE-CD2 3.31Å; R306-L311 VanDerWaalsContact NH2-CD2 3.28Å; T307-L311 WeakPolarHBondContact O-CG 3.34Å; T307-L311 PolarHBondContact O-N 3.24Å; L309-L311 VanDerWaalsContact C-N 3.28Å; L309-L311 PolarHBondContact O-N 3.29Å; L311-V313 VanDerWaalsContact C-N 3.26Å; L311-V313 PolarHBondContact O-N 2.82Å; L311-C314 PolarHBondContact O-N 2.85Å; L311-C315 WeakPolarHBondContact O-CB 3.44Å; L311-C315 PolarHBondContact O-N 3.49Å; L311-C315 PolarHBondContact O-SG 2.99Å |
| 312 | A | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.9 | -37.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V280 A308 L309 I310 G316 S317 I320 V321 L324 | V280-A312 HydrophobicContact CG1-CB 3.7Å; A308-A312 WeakPolarHBondContact O-CB 3.43Å; A308-A312 PolarHBondContact O-N 3.22Å; L309-A312 PolarHBondContact O-N 2.95Å; I310-A312 PolarHBondContact O-N 3.14Å; A312-G316 PolarHBondContact O-N 2.63Å; A312-S317 PolarHBondContact O-N 3.01Å; A312-I320 HydrophobicContact CB-CB 4.3Å; A312-I320 HydrophobicContact CB-CG2 3.74Å; A312-V321 HydrophobicContact CB-CG2 3.79Å; A312-L324 HydrophobicContact CB-CD1 3.95Å |
| 313 | V | 94.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.3 | -47.4 | 174.7 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | L309 I310 L311 C315 G316 V321 A341 A345 H350 I353 | L309-V313 WeakPolarHBondContact O-CG2 3.13Å; L309-V313 PolarHBondContact O-N 3.38Å; I310-V313 PolarHBondContact O-N 3.11Å; L311-V313 VanDerWaalsContact C-N 3.26Å; L311-V313 PolarHBondContact O-N 2.82Å; V313-C315 PolarHBondContact O-N 2.97Å; V313-G316 WeakPolarHBondContact O-CA 3.18Å; V313-G316 PolarHBondContact O-N 2.94Å; V313-V321 HydrophobicContact CG2-CG2 3.81Å; V313-A341 WeakPolarHBondContact CG1-O 3.44Å; V313-A341 HydrophobicContact CG2-CB 4.04Å; V313-A345 HydrophobicContact CG1-CB 3.67Å; V313-H350 PolarHBondContact O-CD2 3.5Å; V313-I353 HydrophobicContact CB-CG2 4.37Å; V313-I353 HydrophobicContact CG1-CG2 4.05Å; V313-I353 HydrophobicContact CG2-CG2 3.67Å |
| 314 | C | 90.7 | Very high | 93.3 | Very high | 6 Ų | 6 | 17.6 Ų | 17.6 | 4% | 0.041 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.4 | -38 | 177.9 | -62.4 | 0 | 0 | 0 | 0 | 111.2 | W120 I310 L311 G316 | W120-C314 HydrophobicContact CH2-CB 3.36Å; W120-C314 HydrophobicContact CZ2-CB 3.81Å; W120-C314 VanDerWaalsContact CZ2-O 3.27Å; W120-C314 WeakPolarHBondContact CZ2-O 3.43Å; W120-C314 HydrophobicContact CZ3-CB 4.3Å; I310-C314 PolarHBondContact O-N 3.42Å; I310-C314 PolarHBondContact O-SG 3.4Å; L311-C314 PolarHBondContact O-N 2.85Å; C314-G316 PolarHBondContact O-N 3.28Å |
| 315 | C | 89.1 | Confident | 93.5 | Very high | 20 Ų | 20 | 14.5 Ų | 14.5 | 14% | 0.135 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -8.7 | 176 | -64.1 | 0 | 0 | 0 | 0 | 113.7 | Q283 L311 V313 | Q283-C315 HydrophobicContact CG-CB 4.03Å; Q283-C315 PolarHBondContact NE2-O 3.25Å; L311-C315 WeakPolarHBondContact O-CB 3.44Å; L311-C315 PolarHBondContact O-N 3.49Å; L311-C315 PolarHBondContact O-SG 2.99Å; V313-C315 PolarHBondContact O-N 2.97Å |
| 316 | G | 90.5 | Very high | 93.6 | Very high | 26 Ų | 26 | 19.5 Ų | 19.5 | 27% | 0.268 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 19.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A312 V313 C314 A318 | A312-G316 PolarHBondContact O-N 2.63Å; V313-G316 WeakPolarHBondContact O-CA 3.18Å; V313-G316 PolarHBondContact O-N 2.94Å; C314-G316 PolarHBondContact O-N 3.28Å; G316-A318 PolarHBondContact O-N 3.49Å |
| 317 | S | 92.4 | Very high | 93.6 | Very high | 14 Ų | 14 | 22.3 Ų | 22.3 | 10% | 0.098 | 13% | 0.131 | C | C | . | . | trans | -92.4 | 86.7 | -174.4 | -168.8 | 0 | 0 | 0 | 0 | 112.5 | A312 S319 I320 V321 | A312-S317 PolarHBondContact O-N 3.01Å; S317-S319 PolarHBondContact O-N 3.28Å; S317-I320 PolarHBondContact O-N 3.45Å; S317-I320 VanDerWaalsContact O-N 3.11Å; S317-I320 WeakPolarHBondContact OG-CG1 3.27Å; S317-V321 WeakPolarHBondContact O-CG2 3.19Å; S317-V321 PolarHBondContact O-N 3.23Å | ||
| 318 | A | 94.3 | Very high | 93.2 | Very high | 29 Ų | 29 | 27 Ų | 27 | 24% | 0.24 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -54.9 | -36.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G316 V321 N322 V352 I353 L356 | G316-A318 PolarHBondContact O-N 3.49Å; A318-V321 PolarHBondContact O-N 3.45Å; A318-N322 WeakPolarHBondContact O-CB 3.49Å; A318-N322 PolarHBondContact O-N 3.35Å; A318-V352 HydrophobicContact CB-CG1 4.02Å; A318-I353 HydrophobicContact CB-CG1 4.01Å; A318-L356 HydrophobicContact CB-CD1 3.97Å |
| 319 | S | 95.3 | Very high | 93 | Very high | 60 Ų | 60 | 27.7 Ų | 27.7 | 42% | 0.42 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63 | -42 | 177.5 | -58.4 | 0 | 0 | 0 | 0 | 112.9 | S317 L323 | S317-S319 PolarHBondContact O-N 3.28Å; S319-L323 WeakPolarHBondContact O-CG 3.43Å; S319-L323 PolarHBondContact O-N 3.03Å |
| 320 | I | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -75.4 | -38.4 | 178.5 | -67.1 | 175.2 | 0 | 0 | 0 | 110.4 | V280 Q283 Q285 V288 A312 S317 N322 L323 L324 | V280-I320 HydrophobicContact CG1-CG2 4.21Å; V280-I320 HydrophobicContact CG2-CG2 3.99Å; Q283-I320 HydrophobicContact CB-CD1 4.43Å; Q285-I320 HydrophobicContact CB-CG1 4.39Å; Q285-I320 HydrophobicContact CG-CG1 4.47Å; V288-I320 HydrophobicContact CG1-CG2 4.21Å; V288-I320 HydrophobicContact CG2-CD1 4.34Å; A312-I320 HydrophobicContact CB-CB 4.3Å; A312-I320 HydrophobicContact CB-CG2 3.74Å; S317-I320 PolarHBondContact O-N 3.45Å; S317-I320 VanDerWaalsContact O-N 3.11Å; S317-I320 WeakPolarHBondContact OG-CG1 3.27Å; I320-N322 VanDerWaalsContact C-N 3.32Å; I320-N322 PolarHBondContact O-N 2.67Å; I320-L323 WeakPolarHBondContact O-CB 3.3Å; I320-L323 PolarHBondContact O-N 3.06Å; I320-L324 HydrophobicContact CG2-CD1 3.98Å; I320-L324 HydrophobicContact CG2-CG 4.33Å; I320-L324 WeakPolarHBondContact O-CG 3.45Å; I320-L324 PolarHBondContact O-N 3.29Å |
| 321 | V | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.1 | -50.8 | 171.9 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | L309 A312 V313 S317 A318 L323 L324 L325 I353 L356 | L309-V321 HydrophobicContact CD1-CG1 4.07Å; A312-V321 HydrophobicContact CB-CG2 3.79Å; V313-V321 HydrophobicContact CG2-CG2 3.81Å; S317-V321 WeakPolarHBondContact O-CG2 3.19Å; S317-V321 PolarHBondContact O-N 3.23Å; A318-V321 PolarHBondContact O-N 3.45Å; V321-L323 VanDerWaalsContact C-N 3.35Å; V321-L323 PolarHBondContact O-N 3.27Å; V321-L324 PolarHBondContact O-N 3.03Å; V321-L324 VanDerWaalsContact O-N 3.13Å; V321-L325 HydrophobicContact CG1-CD1 3.79Å; V321-L325 HydrophobicContact CG1-CG 4.22Å; V321-L325 VanDerWaalsContact O-CG 3.32Å; V321-L325 WeakPolarHBondContact O-CG 3.29Å; V321-L325 PolarHBondContact O-N 3.35Å; V321-I353 HydrophobicContact CG1-CG2 4.34Å; V321-I353 HydrophobicContact CG2-CD1 4.27Å; V321-I353 HydrophobicContact CG2-CG2 4.23Å; V321-L356 HydrophobicContact CG1-CD1 4.47Å |
| 322 | N | 95 | Very high | 92.3 | Very high | 69 Ų | 69 | 37.2 Ų | 37.2 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.3 | -43.1 | 179.1 | -168.3 | 50 | 0 | 0 | 0 | 112.2 | A318 I320 L324 L325 E326 L356 | A318-N322 WeakPolarHBondContact O-CB 3.49Å; A318-N322 PolarHBondContact O-N 3.35Å; I320-N322 VanDerWaalsContact C-N 3.32Å; I320-N322 PolarHBondContact O-N 2.67Å; N322-L324 VanDerWaalsContact C-N 3.29Å; N322-L324 PolarHBondContact O-N 2.87Å; N322-L325 PolarHBondContact O-N 2.98Å; N322-E326 PolarHBondContact ND2-OE1 3.15Å; N322-E326 WeakPolarHBondContact O-CG 3.47Å; N322-E326 PolarHBondContact O-N 3.13Å; N322-L356 HydrophobicContact CB-CD1 4.48Å |
| 323 | L | 95.4 | Very high | 92.1 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 7% | 0.068 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.9 | -36.6 | 175.6 | -75.2 | 172 | 0 | 0 | 0 | 113.2 | Q285 K289 I292 S319 I320 V321 | Q285-L323 HydrophobicContact CG-CD1 3.67Å; K289-L323 HydrophobicContact CB-CD1 4.11Å; K289-L323 HydrophobicContact CD-CD2 4.04Å; K289-L323 HydrophobicContact CG-CD2 4.22Å; I292-L323 HydrophobicContact CD1-CB 4.47Å; S319-L323 WeakPolarHBondContact O-CG 3.43Å; S319-L323 PolarHBondContact O-N 3.03Å; I320-L323 WeakPolarHBondContact O-CB 3.3Å; I320-L323 PolarHBondContact O-N 3.06Å; V321-L323 VanDerWaalsContact C-N 3.35Å; V321-L323 PolarHBondContact O-N 3.27Å |
| 324 | L | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75.1 | -41.2 | 178.4 | -69.1 | 170.9 | 0 | 0 | 0 | 111.5 | I292 L298 A308 L309 A312 I320 V321 N322 E326 Q327 V329 | I292-L324 HydrophobicContact CD1-CD2 3.99Å; L298-L324 HydrophobicContact CD2-CD2 4.14Å; A308-L324 HydrophobicContact CB-CD1 4.02Å; A308-L324 HydrophobicContact CB-CD2 4.15Å; A308-L324 WeakPolarHBondContact O-CD1 3.39Å; L309-L324 HydrophobicContact CD1-CB 4.41Å; A312-L324 HydrophobicContact CB-CD1 3.95Å; I320-L324 HydrophobicContact CG2-CD1 3.98Å; I320-L324 HydrophobicContact CG2-CG 4.33Å; I320-L324 WeakPolarHBondContact O-CG 3.45Å; I320-L324 PolarHBondContact O-N 3.29Å; V321-L324 PolarHBondContact O-N 3.03Å; V321-L324 VanDerWaalsContact O-N 3.13Å; N322-L324 VanDerWaalsContact C-N 3.29Å; N322-L324 PolarHBondContact O-N 2.87Å; L324-E326 VanDerWaalsContact C-N 3.27Å; L324-E326 PolarHBondContact O-N 3.24Å; L324-Q327 WeakPolarHBondContact O-CB 3.01Å; L324-Q327 PolarHBondContact O-N 2.96Å; L324-V329 HydrophobicContact CB-CG2 4.37Å; L324-V329 WeakPolarHBondContact O-CG1 3.31Å; L324-V329 WeakPolarHBondContact O-CG2 3.26Å |
| 325 | L | 93.4 | Very high | 92.2 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -36.1 | 176.2 | -67.7 | 175.4 | 0 | 0 | 0 | 111.9 | L309 V321 N322 Q327 N328 V329 V331 L356 L357 Y360 | L309-L325 HydrophobicContact CD1-CD2 4.2Å; L309-L325 HydrophobicContact CD1-CG 4.43Å; L309-L325 HydrophobicContact CD2-CD2 4.39Å; V321-L325 HydrophobicContact CG1-CD1 3.79Å; V321-L325 HydrophobicContact CG1-CG 4.22Å; V321-L325 VanDerWaalsContact O-CG 3.32Å; V321-L325 WeakPolarHBondContact O-CG 3.29Å; V321-L325 PolarHBondContact O-N 3.35Å; N322-L325 PolarHBondContact O-N 2.98Å; L325-Q327 PolarHBondContact O-N 3.23Å; L325-Q327 VanDerWaalsContact O-N 3.08Å; L325-N328 PolarHBondContact O-N 3.38Å; L325-N328 VanDerWaalsContact O-N 3.14Å; L325-V329 HydrophobicContact CD2-CG2 4.38Å; L325-V331 HydrophobicContact CD2-CG1 3.56Å; L325-L356 HydrophobicContact CD1-CB 4.37Å; L325-L357 HydrophobicContact CD1-CD2 4.27Å; L325-L357 HydrophobicContact CD2-CD2 4.1Å; L325-Y360 HydrophobicContact CB-CD2 3.88Å; L325-Y360 HydrophobicContact CB-CE2 4.1Å; L325-Y360 HydrophobicContact CB-CG 4.35Å; L325-Y360 HydrophobicContact CD1-CG 4.37Å; L325-Y360 HydrophobicContact CD2-CD1 3.87Å; L325-Y360 HydrophobicContact CD2-CD2 4.18Å; L325-Y360 HydrophobicContact CD2-CE1 4.1Å; L325-Y360 HydrophobicContact CD2-CE2 4.41Å; L325-Y360 HydrophobicContact CD2-CG 3.88Å; L325-Y360 HydrophobicContact CG-CD2 4.43Å; L325-Y360 HydrophobicContact CG-CG 4.42Å; L325-Y360 WeakPolarHBondContact O-CE2 3.03Å |
| 326 | E | 92.1 | Very high | 92.3 | Very high | 114 Ų | 114 | 51 Ų | 51 | 53% | 0.533 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -18.2 | 172.1 | -73.8 | 171.4 | -169.4 | 0 | 0 | 113.7 | N322 L324 | N322-E326 PolarHBondContact ND2-OE1 3.15Å; N322-E326 WeakPolarHBondContact O-CG 3.47Å; N322-E326 PolarHBondContact O-N 3.13Å; L324-E326 VanDerWaalsContact C-N 3.27Å; L324-E326 PolarHBondContact O-N 3.24Å |
| 327 | Q | 91.9 | Very high | 92.3 | Very high | 89 Ų | 89 | 53.2 Ų | 53.2 | 42% | 0.416 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 12.2 | 179.3 | -55.2 | -54.8 | -66.6 | 0 | 0 | 114.1 | I292 L298 L324 L325 V329 | I292-Q327 VanDerWaalsContact CG2-CD 3.46Å; I292-Q327 HydrophobicContact CG2-CG 3.6Å; L298-Q327 HydrophobicContact CD1-CB 3.45Å; L298-Q327 VanDerWaalsContact CD1-CB 3.45Å; L298-Q327 HydrophobicContact CD1-CG 3.91Å; L324-Q327 WeakPolarHBondContact O-CB 3.01Å; L324-Q327 PolarHBondContact O-N 2.96Å; L325-Q327 PolarHBondContact O-N 3.23Å; L325-Q327 VanDerWaalsContact O-N 3.08Å; Q327-V329 VanDerWaalsContact C-N 3.28Å; Q327-V329 HydrophobicContact CB-CG1 4.36Å; Q327-V329 PolarHBondContact O-N 2.9Å |
| 328 | N | 85.6 | Confident | 92.3 | Very high | 113 Ų | 113 | 53.9 Ų | 53.9 | 60% | 0.604 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 37.3 | -177.5 | -58.8 | -56.1 | 0 | 0 | 0 | 114.2 | L325 Y360 | L325-N328 PolarHBondContact O-N 3.38Å; L325-N328 VanDerWaalsContact O-N 3.14Å; N328-Y360 VanDerWaalsContact CA-OH 3.29Å; N328-Y360 WeakPolarHBondContact CA-OH 3.5Å |
| 329 | V | 88.9 | Confident | 92.3 | Very high | 17 Ų | 17 | 55.8 Ų | 55.8 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | trans | -64.9 | 150.8 | 176.3 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | L298 L309 L324 L325 Q327 V331 | L298-V329 HydrophobicContact CB-CG1 4.22Å; L298-V329 HydrophobicContact CD1-CG1 3.75Å; L309-V329 HydrophobicContact CB-CG2 4.47Å; L309-V329 HydrophobicContact CD2-CG2 4.15Å; L324-V329 HydrophobicContact CB-CG2 4.37Å; L324-V329 WeakPolarHBondContact O-CG1 3.31Å; L324-V329 WeakPolarHBondContact O-CG2 3.26Å; L325-V329 HydrophobicContact CD2-CG2 4.38Å; Q327-V329 VanDerWaalsContact C-N 3.28Å; Q327-V329 HydrophobicContact CB-CG1 4.36Å; Q327-V329 PolarHBondContact O-N 2.9Å; V329-V331 PolarHBondContact O-N 2.94Å | ||
| 330 | D | 88.4 | Confident | 92.2 | Very high | 80 Ų | 80 | 54 Ų | 54 | 43% | 0.428 | 30% | 0.299 | S | S | . | . | trans | -69.5 | 119.3 | 171.9 | 175.7 | 27.6 | 0 | 0 | 0 | 110.4 | S332 S333 | D330-S332 WeakPolarHBondContact OD1-CB 3.24Å; D330-S332 PolarHBondContact OD1-N 3.01Å; D330-S332 PolarHBondContact OD1-OG 3.16Å; D330-S332 PolarHBondContact OD2-OG 3.02Å; D330-S333 PolarHBondContact OD2-N 3.28Å; D330-S333 VanDerWaalsContact OD2-N 3.12Å; D330-S333 PolarHBondContact OD2-OG 2.82Å | ||
| 331 | V | 89.5 | Confident | 92 | Very high | 45 Ų | 45 | 54 Ų | 54 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -89.7 | -11.3 | 179.3 | -61.4 | 0 | 0 | 0 | 0 | 113 | L309 L325 V329 L357 Y360 | L309-V331 HydrophobicContact CD2-CB 4.16Å; L309-V331 HydrophobicContact CD2-CG1 3.78Å; L325-V331 HydrophobicContact CD2-CG1 3.56Å; V329-V331 PolarHBondContact O-N 2.94Å; V331-L357 HydrophobicContact CG1-CD2 4.49Å; V331-Y360 HydrophobicContact CG1-CD1 3.76Å; V331-Y360 HydrophobicContact CG1-CE1 3.57Å; V331-Y360 HydrophobicContact CG2-CE1 4.42Å |
| 332 | S | 90.1 | Very high | 91.9 | Very high | 81 Ų | 81 | 59.5 Ų | 59.5 | 57% | 0.566 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -93.1 | -10.4 | -177.4 | 70.1 | 0 | 0 | 0 | 0 | 113.8 | D330 Q334 | D330-S332 WeakPolarHBondContact OD1-CB 3.24Å; D330-S332 PolarHBondContact OD1-N 3.01Å; D330-S332 PolarHBondContact OD1-OG 3.16Å; D330-S332 PolarHBondContact OD2-OG 3.02Å; S332-Q334 PolarHBondContact O-N 3.06Å |
| 333 | S | 91.4 | Very high | 91.8 | Very high | 35 Ų | 35 | 60.1 Ų | 60.1 | 25% | 0.245 | 32% | 0.321 | C | S | . | . | trans | -51.7 | 137.8 | 174.9 | -74.1 | 0 | 0 | 0 | 0 | 112 | D330 | D330-S333 PolarHBondContact OD2-N 3.28Å; D330-S333 VanDerWaalsContact OD2-N 3.12Å; D330-S333 PolarHBondContact OD2-OG 2.82Å | ||
| 334 | Q | 93.1 | Very high | 91.6 | Very high | 123 Ų | 123 | 61 Ų | 61 | 58% | 0.575 | 32% | 0.324 | S | S | * | . | B | Isolated β-bridge | trans | -110.9 | 147.1 | 177.7 | -70.6 | 177.6 | -32.3 | 0 | 0 | 110.3 | S332 G338 Q339 T340 | S332-Q334 PolarHBondContact O-N 3.06Å; Q334-G338 PolarHBondContact NE2-O 3.47Å; Q334-G338 VanDerWaalsContact NE2-O 3.15Å; Q334-Q339 WeakPolarHBondContact CA-O 3.28Å; Q334-T340 HydrophobicContact CG-CG2 3.67Å |
| 335 | D | 92.3 | Very high | 91.5 | Very high | 15 Ų | 15 | 61 Ų | 61 | 8% | 0.08 | 32% | 0.324 | C | S | . | . | trans | -82.5 | -174.6 | 170.6 | 77.8 | -4.3 | 0 | 0 | 0 | 112.5 | R306 I310 S337 G338 Q339 Y344 | R306-D335 HydrophobicContact CG-CB 3.71Å; I310-D335 HydrophobicContact CD1-CB 4.23Å; D335-S337 PolarHBondContact O-N 3.45Å; D335-S337 VanDerWaalsContact O-N 3.13Å; D335-S337 WeakPolarHBondContact OD1-CA 3.4Å; D335-S337 WeakPolarHBondContact OD1-CB 3.47Å; D335-S337 PolarHBondContact OD1-N 2.95Å; D335-S337 PolarHBondContact OD1-OG 3.19Å; D335-S337 PolarHBondContact OD2-OG 2.76Å; D335-G338 PolarHBondContact O-N 3.43Å; D335-G338 PolarHBondContact OD1-N 3Å; D335-Q339 PolarHBondContact N-O 3.17Å; D335-Q339 PolarHBondContact OD1-N 3.43Å; D335-Y344 PolarHBondContact OD2-OH 3.16Å | ||
| 336 | L | 92.2 | Very high | 91.5 | Very high | 143 Ų | 143 | 64.7 Ų | 64.7 | 75% | 0.749 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.4 | 179.3 | -67.3 | 177.9 | 0 | 0 | 0 | 114 | Y304 G338 | Y304-L336 WeakPolarHBondContact O-CB 3.49Å; Y304-L336 VanDerWaalsContact O-CG 3.28Å; Y304-L336 WeakPolarHBondContact O-CG 3.25Å; Y304-L336 PolarHBondContact O-N 2.92Å; Y304-L336 VanDerWaalsContact O-N 3.09Å; L336-G338 VanDerWaalsContact C-N 3.35Å |
| 337 | S | 91 | Very high | 91.4 | Very high | 71 Ų | 71 | 61.6 Ų | 61.6 | 50% | 0.497 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 2.4 | 174.6 | 73.7 | 0 | 0 | 0 | 0 | 113.2 | D335 Q339 | D335-S337 PolarHBondContact O-N 3.45Å; D335-S337 VanDerWaalsContact O-N 3.13Å; D335-S337 WeakPolarHBondContact OD1-CA 3.4Å; D335-S337 WeakPolarHBondContact OD1-CB 3.47Å; D335-S337 PolarHBondContact OD1-N 2.95Å; D335-S337 PolarHBondContact OD1-OG 3.19Å; D335-S337 PolarHBondContact OD2-OG 2.76Å; S337-Q339 PolarHBondContact O-N 3.06Å; S337-Q339 WeakPolarHBondContact OG-CG 3.33Å |
| 338 | G | 92.3 | Very high | 91.1 | Very high | 28 Ų | 28 | 57.9 Ų | 57.9 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 75.7 | 11.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q334 D335 L336 | Q334-G338 PolarHBondContact NE2-O 3.47Å; Q334-G338 VanDerWaalsContact NE2-O 3.15Å; D335-G338 PolarHBondContact O-N 3.43Å; D335-G338 PolarHBondContact OD1-N 3Å; L336-G338 VanDerWaalsContact C-N 3.35Å |
| 339 | Q | 92.4 | Very high | 91.3 | Very high | 70 Ų | 70 | 59.2 Ų | 59.2 | 33% | 0.327 | 32% | 0.323 | S | S | . | . | trans | -91.4 | 135.6 | -176.9 | -63.9 | -65.6 | -65.4 | 0 | 0 | 111.1 | Q334 D335 S337 E343 Y344 | Q334-Q339 WeakPolarHBondContact CA-O 3.28Å; D335-Q339 PolarHBondContact N-O 3.17Å; D335-Q339 PolarHBondContact OD1-N 3.43Å; S337-Q339 PolarHBondContact O-N 3.06Å; S337-Q339 WeakPolarHBondContact OG-CG 3.33Å; Q339-E343 WeakPolarHBondContact CA-OE2 3.32Å; Q339-Y344 HydrophobicContact CB-CD2 3.94Å; Q339-Y344 HydrophobicContact CB-CE2 3.36Å; Q339-Y344 HydrophobicContact CG-CE2 4.27Å | ||
| 340 | T | 93.9 | Very high | 91.4 | Very high | 22 Ų | 22 | 60.5 Ų | 60.5 | 14% | 0.135 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -91.5 | 164.2 | 175.2 | 62.8 | 0 | 0 | 0 | 0 | 111.5 | Q334 R342 E343 Y344 | Q334-T340 HydrophobicContact CG-CG2 3.67Å; T340-R342 PolarHBondContact O-N 3.41Å; T340-E343 PolarHBondContact N-OE2 3.33Å; T340-E343 PolarHBondContact O-N 2.7Å; T340-E343 VanDerWaalsContact OG1-CD 3.29Å; T340-E343 WeakPolarHBondContact OG1-CG 3.15Å; T340-E343 PolarHBondContact OG1-N 2.98Å; T340-E343 PolarHBondContact OG1-OE2 3.37Å; T340-Y344 WeakPolarHBondContact O-CD2 3.34Å; T340-Y344 PolarHBondContact O-N 3.26Å |
| 341 | A | 92.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.008 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56.4 | -37 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L309 I310 V313 A345 L357 | L309-A341 HydrophobicContact CD2-CB 3.97Å; L309-A341 HydrophobicContact CG-CB 3.95Å; I310-A341 HydrophobicContact CG1-CB 4.04Å; V313-A341 WeakPolarHBondContact CG1-O 3.44Å; V313-A341 HydrophobicContact CG2-CB 4.04Å; A341-A345 PolarHBondContact O-N 3.04Å; A341-L357 HydrophobicContact CB-CD1 4.48Å |
| 342 | R | 93.4 | Very high | 91.8 | Very high | 115 Ų | 115 | 65.1 Ų | 65.1 | 43% | 0.434 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.7 | -42 | 178.9 | -173.7 | -179.7 | 178.7 | 92.8 | -0.5 | 112.1 | T340 Y344 A345 V346 L357 S358 | T340-R342 PolarHBondContact O-N 3.41Å; R342-Y344 VanDerWaalsContact C-N 3.32Å; R342-Y344 PolarHBondContact O-N 3.09Å; R342-A345 WeakPolarHBondContact O-CB 3.24Å; R342-A345 PolarHBondContact O-N 2.89Å; R342-V346 HydrophobicContact CG-CG2 4.49Å; R342-V346 WeakPolarHBondContact O-CG2 3.15Å; R342-V346 PolarHBondContact O-N 2.87Å; R342-L357 HydrophobicContact CB-CD1 4.25Å; R342-S358 PolarHBondContact NH1-OG 3.25Å |
| 343 | E | 92.2 | Very high | 91.9 | Very high | 81 Ų | 81 | 61.4 Ų | 61.4 | 38% | 0.379 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.3 | -39 | 179.2 | -70.9 | 160.3 | 158.8 | 0 | 0 | 111.4 | Q339 T340 V346 S347 | Q339-E343 WeakPolarHBondContact CA-OE2 3.32Å; T340-E343 PolarHBondContact N-OE2 3.33Å; T340-E343 PolarHBondContact O-N 2.7Å; T340-E343 VanDerWaalsContact OG1-CD 3.29Å; T340-E343 WeakPolarHBondContact OG1-CG 3.15Å; T340-E343 PolarHBondContact OG1-N 2.98Å; T340-E343 PolarHBondContact OG1-OE2 3.37Å; E343-V346 PolarHBondContact O-N 2.73Å; E343-S347 WeakPolarHBondContact O-CB 3.31Å; E343-S347 PolarHBondContact O-N 3.23Å; E343-S347 PolarHBondContact O-OG 3.25Å |
| 344 | Y | 92.3 | Very high | 92 | Very high | 33 Ų | 33 | 60.8 Ų | 60.8 | 13% | 0.129 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 171 | -82.3 | -64.9 | 0 | 0 | 0 | 113.2 | V117 I310 D335 Q339 T340 R342 V346 S347 S348 | V117-Y344 HydrophobicContact CG1-CD1 3.87Å; V117-Y344 HydrophobicContact CG1-CE1 3.99Å; I310-Y344 HydrophobicContact CG2-CD2 3.7Å; I310-Y344 HydrophobicContact CG2-CE2 3.78Å; D335-Y344 PolarHBondContact OD2-OH 3.16Å; Q339-Y344 HydrophobicContact CB-CD2 3.94Å; Q339-Y344 HydrophobicContact CB-CE2 3.36Å; Q339-Y344 HydrophobicContact CG-CE2 4.27Å; T340-Y344 WeakPolarHBondContact O-CD2 3.34Å; T340-Y344 PolarHBondContact O-N 3.26Å; R342-Y344 VanDerWaalsContact C-N 3.32Å; R342-Y344 PolarHBondContact O-N 3.09Å; Y344-V346 PolarHBondContact O-N 3.33Å; Y344-S347 WeakPolarHBondContact CA-OG 3.44Å; Y344-S347 PolarHBondContact O-OG 2.96Å; Y344-S347 VanDerWaalsContact O-OG 3.1Å; Y344-S348 WeakPolarHBondContact O-CB 3.36Å; Y344-S348 PolarHBondContact O-N 3.5Å; Y344-S348 PolarHBondContact O-OG 3.35Å |
| 345 | A | 92.9 | Very high | 92 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V313 A341 R342 H349 H350 I353 C354 L357 | V313-A345 HydrophobicContact CG1-CB 3.67Å; A341-A345 PolarHBondContact O-N 3.04Å; R342-A345 WeakPolarHBondContact O-CB 3.24Å; R342-A345 PolarHBondContact O-N 2.89Å; A345-H349 PolarHBondContact O-N 3.13Å; A345-H350 PolarHBondContact O-N 3.4Å; A345-I353 HydrophobicContact CB-CB 4.33Å; A345-I353 HydrophobicContact CB-CG2 3.85Å; A345-C354 VanDerWaalsContact C-SG 3.59Å; A345-C354 VanDerWaalsContact CB-SG 3.52Å; A345-L357 HydrophobicContact CB-CD1 4.26Å |
| 346 | V | 92.3 | Very high | 92 | Very high | 82 Ų | 82 | 61.8 Ų | 61.8 | 50% | 0.497 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.6 | -49 | 179.2 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | R342 E343 Y344 S348 H349 | R342-V346 HydrophobicContact CG-CG2 4.49Å; R342-V346 WeakPolarHBondContact O-CG2 3.15Å; R342-V346 PolarHBondContact O-N 2.87Å; E343-V346 PolarHBondContact O-N 2.73Å; Y344-V346 PolarHBondContact O-N 3.33Å; V346-S348 VanDerWaalsContact C-N 3.29Å; V346-S348 PolarHBondContact O-N 3Å; V346-H349 PolarHBondContact O-N 2.86Å; V346-H349 VanDerWaalsContact O-N 3.16Å; V346-H349 PolarHBondContact O-ND1 3.29Å |
| 347 | S | 90.6 | Very high | 92 | Very high | 49 Ų | 49 | 55.6 Ų | 55.6 | 34% | 0.343 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.6 | -32.8 | -179.7 | 55.5 | 0 | 0 | 0 | 0 | 112.9 | V117 E343 Y344 H349 | V117-S347 VanDerWaalsContact CG2-C 3.45Å; V117-S347 VanDerWaalsContact CG2-O 3.32Å; V117-S347 WeakPolarHBondContact CG2-O 3.36Å; E343-S347 WeakPolarHBondContact O-CB 3.31Å; E343-S347 PolarHBondContact O-N 3.23Å; E343-S347 PolarHBondContact O-OG 3.25Å; Y344-S347 WeakPolarHBondContact CA-OG 3.44Å; Y344-S347 PolarHBondContact O-OG 2.96Å; Y344-S347 VanDerWaalsContact O-OG 3.1Å; S347-H349 VanDerWaalsContact C-N 3.31Å |
| 348 | S | 86.7 | Confident | 92 | Very high | 12 Ų | 12 | 53.6 Ų | 53.6 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 0.9 | 177.8 | -54.5 | 0 | 0 | 0 | 0 | 113.7 | V117 Y344 V346 H350 | V117-S348 VanDerWaalsContact CG2-OG 3.29Å; V117-S348 WeakPolarHBondContact CG2-OG 3.42Å; Y344-S348 WeakPolarHBondContact O-CB 3.36Å; Y344-S348 PolarHBondContact O-N 3.5Å; Y344-S348 PolarHBondContact O-OG 3.35Å; V346-S348 VanDerWaalsContact C-N 3.29Å; V346-S348 PolarHBondContact O-N 3Å; S348-H350 VanDerWaalsContact C-N 3.27Å; S348-H350 WeakPolarHBondContact CB-CD2 3.43Å; S348-H350 WeakPolarHBondContact CB-NE2 3.22Å; S348-H350 PolarHBondContact O-N 3.24Å |
| 349 | H | 89.6 | Confident | 91.9 | Very high | 140 Ų | 140 | 55.8 Ų | 55.8 | 65% | 0.648 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 35.8 | -175.8 | -51.7 | -54.1 | 0 | 0 | 0 | 114.1 | A345 V346 S347 H351 | A345-H349 PolarHBondContact O-N 3.13Å; V346-H349 PolarHBondContact O-N 2.86Å; V346-H349 VanDerWaalsContact O-N 3.16Å; V346-H349 PolarHBondContact O-ND1 3.29Å; S347-H349 VanDerWaalsContact C-N 3.31Å; H349-H351 VanDerWaalsContact C-N 3.31Å; H349-H351 PolarHBondContact O-CD2 2.89Å; H349-H351 PolarHBondContact O-N 3.37Å |
| 350 | H | 90.9 | Very high | 91.8 | Very high | 45 Ų | 45 | 53.7 Ų | 53.7 | 21% | 0.208 | 27% | 0.272 | C | S | . | . | trans | -83.8 | 72.1 | 175.6 | -66.2 | -41.4 | 0 | 0 | 0 | 111.2 | V313 A345 S348 V352 I353 C354 | V313-H350 PolarHBondContact O-CD2 3.5Å; A345-H350 PolarHBondContact O-N 3.4Å; S348-H350 VanDerWaalsContact C-N 3.27Å; S348-H350 WeakPolarHBondContact CB-CD2 3.43Å; S348-H350 WeakPolarHBondContact CB-NE2 3.22Å; S348-H350 PolarHBondContact O-N 3.24Å; H350-V352 VanDerWaalsContact C-N 3.34Å; H350-V352 PolarHBondContact O-N 3.42Å; H350-I353 HydrophobicContact CB-CB 3.92Å; H350-I353 HydrophobicContact CB-CD1 3.89Å; H350-I353 HydrophobicContact CB-CG1 4.07Å; H350-I353 WeakPolarHBondContact O-CB 3.34Å; H350-I353 PolarHBondContact O-N 3.4Å; H350-C354 PolarHBondContact O-N 3.05Å | ||
| 351 | H | 91.1 | Very high | 91.4 | Very high | 132 Ų | 132 | 58.6 Ų | 58.6 | 61% | 0.611 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -50.3 | -47.6 | -175.3 | -62.3 | -72.2 | 0 | 0 | 0 | 113.9 | H349 I353 C354 E355 | H349-H351 VanDerWaalsContact C-N 3.31Å; H349-H351 PolarHBondContact O-CD2 2.89Å; H349-H351 PolarHBondContact O-N 3.37Å; H351-I353 VanDerWaalsContact C-N 3.28Å; H351-I353 PolarHBondContact O-N 3.41Å; H351-C354 WeakPolarHBondContact O-CB 3.5Å; H351-C354 PolarHBondContact O-N 3.39Å; H351-C354 VanDerWaalsContact O-N 3.14Å; H351-E355 PolarHBondContact O-N 2.97Å |
| 352 | V | 93.8 | Very high | 91.1 | Very high | 89 Ų | 89 | 64.5 Ų | 64.5 | 54% | 0.539 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.4 | -38 | 178.6 | -179.9 | 0 | 0 | 0 | 0 | 111.9 | A318 H350 E355 L356 | A318-V352 HydrophobicContact CB-CG1 4.02Å; H350-V352 VanDerWaalsContact C-N 3.34Å; H350-V352 PolarHBondContact O-N 3.42Å; V352-E355 PolarHBondContact O-N 3.22Å; V352-L356 HydrophobicContact CG1-CD1 4.41Å; V352-L356 VanDerWaalsContact O-CG 3.32Å; V352-L356 WeakPolarHBondContact O-CG 3.35Å; V352-L356 PolarHBondContact O-N 2.76Å |
| 353 | I | 93.6 | Very high | 90.7 | Very high | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.015 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71.6 | -38.3 | 178.5 | -63.3 | -178.6 | 0 | 0 | 0 | 110.4 | V313 A318 V321 A345 H350 H351 E355 L356 L357 | V313-I353 HydrophobicContact CB-CG2 4.37Å; V313-I353 HydrophobicContact CG1-CG2 4.05Å; V313-I353 HydrophobicContact CG2-CG2 3.67Å; A318-I353 HydrophobicContact CB-CG1 4.01Å; V321-I353 HydrophobicContact CG1-CG2 4.34Å; V321-I353 HydrophobicContact CG2-CD1 4.27Å; V321-I353 HydrophobicContact CG2-CG2 4.23Å; A345-I353 HydrophobicContact CB-CB 4.33Å; A345-I353 HydrophobicContact CB-CG2 3.85Å; H350-I353 HydrophobicContact CB-CB 3.92Å; H350-I353 HydrophobicContact CB-CD1 3.89Å; H350-I353 HydrophobicContact CB-CG1 4.07Å; H350-I353 WeakPolarHBondContact O-CB 3.34Å; H350-I353 PolarHBondContact O-N 3.4Å; H351-I353 VanDerWaalsContact C-N 3.28Å; H351-I353 PolarHBondContact O-N 3.41Å; I353-E355 VanDerWaalsContact C-N 3.31Å; I353-E355 PolarHBondContact O-N 3.19Å; I353-L356 PolarHBondContact O-N 3.44Å; I353-L357 HydrophobicContact CG2-CD1 4.07Å; I353-L357 HydrophobicContact CG2-CG 4.39Å; I353-L357 WeakPolarHBondContact O-CB 3.24Å; I353-L357 VanDerWaalsContact O-CG 3.31Å; I353-L357 WeakPolarHBondContact O-CG 3.47Å; I353-L357 PolarHBondContact O-N 2.87Å |
| 354 | C | 92.8 | Very high | 90.2 | Very high | 22 Ų | 22 | 65.3 Ų | 65.3 | 15% | 0.149 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 173.6 | -67.2 | 0 | 0 | 0 | 0 | 112 | A345 H350 H351 S358 | A345-C354 VanDerWaalsContact C-SG 3.59Å; A345-C354 VanDerWaalsContact CB-SG 3.52Å; H350-C354 PolarHBondContact O-N 3.05Å; H351-C354 WeakPolarHBondContact O-CB 3.5Å; H351-C354 PolarHBondContact O-N 3.39Å; H351-C354 VanDerWaalsContact O-N 3.14Å; C354-S358 WeakPolarHBondContact O-CB 3.33Å; C354-S358 PolarHBondContact O-N 2.98Å; C354-S358 PolarHBondContact O-OG 2.83Å |
| 355 | E | 92.9 | Very high | 89.5 | Confident | 121 Ų | 121 | 69 Ų | 69 | 57% | 0.565 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.4 | -52.4 | 174.4 | -71.6 | 173 | -178.8 | 0 | 0 | 110.6 | H351 V352 I353 L357 S358 D359 | H351-E355 PolarHBondContact O-N 2.97Å; V352-E355 PolarHBondContact O-N 3.22Å; I353-E355 VanDerWaalsContact C-N 3.31Å; I353-E355 PolarHBondContact O-N 3.19Å; E355-L357 VanDerWaalsContact C-N 3.28Å; E355-L357 PolarHBondContact O-N 3.29Å; E355-S358 WeakPolarHBondContact O-CA 3.41Å; E355-S358 WeakPolarHBondContact O-CB 3.4Å; E355-S358 PolarHBondContact O-N 2.95Å; E355-D359 PolarHBondContact O-N 2.85Å |
| 356 | L | 93.7 | Very high | 88.8 | Confident | 39 Ų | 39 | 74.5 Ų | 74.5 | 20% | 0.204 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -54 | -42.9 | 177.9 | -73.1 | 172.3 | 0 | 0 | 0 | 113.1 | A318 V321 N322 L325 V352 I353 S358 Y360 | A318-L356 HydrophobicContact CB-CD1 3.97Å; V321-L356 HydrophobicContact CG1-CD1 4.47Å; N322-L356 HydrophobicContact CB-CD1 4.48Å; L325-L356 HydrophobicContact CD1-CB 4.37Å; V352-L356 HydrophobicContact CG1-CD1 4.41Å; V352-L356 VanDerWaalsContact O-CG 3.32Å; V352-L356 WeakPolarHBondContact O-CG 3.35Å; V352-L356 PolarHBondContact O-N 2.76Å; I353-L356 PolarHBondContact O-N 3.44Å; L356-S358 VanDerWaalsContact C-N 3.35Å; L356-Y360 WeakPolarHBondContact O-CB 3.47Å; L356-Y360 PolarHBondContact O-N 2.73Å; L356-Y360 VanDerWaalsContact O-N 3.09Å |
| 357 | L | 92 | Very high | 88 | Confident | 12 Ų | 12 | 76.1 Ų | 76.1 | 6% | 0.063 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.4 | -32.2 | 177.4 | -69.5 | 173.2 | 0 | 0 | 0 | 112.6 | L309 L325 V331 A341 R342 A345 I353 E355 K361 | L309-L357 HydrophobicContact CD2-CD2 4.42Å; L325-L357 HydrophobicContact CD1-CD2 4.27Å; L325-L357 HydrophobicContact CD2-CD2 4.1Å; V331-L357 HydrophobicContact CG1-CD2 4.49Å; A341-L357 HydrophobicContact CB-CD1 4.48Å; R342-L357 HydrophobicContact CB-CD1 4.25Å; A345-L357 HydrophobicContact CB-CD1 4.26Å; I353-L357 HydrophobicContact CG2-CD1 4.07Å; I353-L357 HydrophobicContact CG2-CG 4.39Å; I353-L357 WeakPolarHBondContact O-CB 3.24Å; I353-L357 VanDerWaalsContact O-CG 3.31Å; I353-L357 WeakPolarHBondContact O-CG 3.47Å; I353-L357 PolarHBondContact O-N 2.87Å; E355-L357 VanDerWaalsContact C-N 3.28Å; E355-L357 PolarHBondContact O-N 3.29Å; L357-K361 PolarHBondContact O-N 3.29Å |
| 358 | S | 90.7 | Very high | 87.2 | Confident | 30 Ų | 30 | 77.8 Ų | 77.8 | 21% | 0.21 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -72.4 | -49.6 | 177.5 | -54.6 | 0 | 0 | 0 | 0 | 110.6 | R342 C354 E355 L356 Y360 K361 E362 | R342-S358 PolarHBondContact NH1-OG 3.25Å; C354-S358 WeakPolarHBondContact O-CB 3.33Å; C354-S358 PolarHBondContact O-N 2.98Å; C354-S358 PolarHBondContact O-OG 2.83Å; E355-S358 WeakPolarHBondContact O-CA 3.41Å; E355-S358 WeakPolarHBondContact O-CB 3.4Å; E355-S358 PolarHBondContact O-N 2.95Å; L356-S358 VanDerWaalsContact C-N 3.35Å; S358-Y360 VanDerWaalsContact C-N 3.26Å; S358-Y360 PolarHBondContact O-N 2.64Å; S358-K361 WeakPolarHBondContact O-CB 3.39Å; S358-K361 PolarHBondContact O-N 3.38Å; S358-E362 PolarHBondContact O-N 3.49Å |
| 359 | D | 90.9 | Very high | 86.4 | Confident | 74 Ų | 74 | 80.1 Ų | 80.1 | 40% | 0.396 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.5 | -41 | 176.7 | -70.8 | 4.3 | 0 | 0 | 0 | 111.9 | E355 E362 K363 | E355-D359 PolarHBondContact O-N 2.85Å; D359-E362 PolarHBondContact O-N 3.3Å; D359-K363 WeakPolarHBondContact O-CB 3.3Å; D359-K363 VanDerWaalsContact O-CG 3.26Å; D359-K363 WeakPolarHBondContact O-CG 3.33Å; D359-K363 PolarHBondContact O-N 2.88Å |
| 360 | Y | 90.4 | Very high | 85.4 | Confident | 25 Ų | 25 | 76.8 Ų | 76.8 | 10% | 0.098 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 177.7 | 179.4 | -97.7 | 0 | 0 | 0 | 112.1 | L325 N328 V331 L356 S358 K363 Q364 | L325-Y360 HydrophobicContact CB-CD2 3.88Å; L325-Y360 HydrophobicContact CB-CE2 4.1Å; L325-Y360 HydrophobicContact CB-CG 4.35Å; L325-Y360 HydrophobicContact CD1-CG 4.37Å; L325-Y360 HydrophobicContact CD2-CD1 3.87Å; L325-Y360 HydrophobicContact CD2-CD2 4.18Å; L325-Y360 HydrophobicContact CD2-CE1 4.1Å; L325-Y360 HydrophobicContact CD2-CE2 4.41Å; L325-Y360 HydrophobicContact CD2-CG 3.88Å; L325-Y360 HydrophobicContact CG-CD2 4.43Å; L325-Y360 HydrophobicContact CG-CG 4.42Å; L325-Y360 WeakPolarHBondContact O-CE2 3.03Å; N328-Y360 VanDerWaalsContact CA-OH 3.29Å; N328-Y360 WeakPolarHBondContact CA-OH 3.5Å; V331-Y360 HydrophobicContact CG1-CD1 3.76Å; V331-Y360 HydrophobicContact CG1-CE1 3.57Å; V331-Y360 HydrophobicContact CG2-CE1 4.42Å; L356-Y360 WeakPolarHBondContact O-CB 3.47Å; L356-Y360 PolarHBondContact O-N 2.73Å; L356-Y360 VanDerWaalsContact O-N 3.09Å; S358-Y360 VanDerWaalsContact C-N 3.26Å; S358-Y360 PolarHBondContact O-N 2.64Å; Y360-K363 PolarHBondContact O-N 3.39Å; Y360-Q364 HydrophobicContact CD1-CG 4.48Å; Y360-Q364 HydrophobicContact CE1-CG 4.05Å; Y360-Q364 VanDerWaalsContact CZ-NE2 3.3Å; Y360-Q364 PolarHBondContact O-N 3.07Å; Y360-Q364 PolarHBondContact OH-NE2 3.06Å |
| 361 | K | 84.6 | Confident | 84.1 | Confident | 126 Ų | 126 | 80.4 Ų | 80.4 | 55% | 0.548 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 177.3 | -170 | 176.9 | -179.6 | 178.5 | 0 | 111.2 | L357 S358 Q364 M365 | L357-K361 PolarHBondContact O-N 3.29Å; S358-K361 WeakPolarHBondContact O-CB 3.39Å; S358-K361 PolarHBondContact O-N 3.38Å; K361-Q364 PolarHBondContact O-N 2.89Å; K361-M365 HydrophobicContact CG-CE 4.34Å; K361-M365 VanDerWaalsContact O-CG 3.25Å; K361-M365 WeakPolarHBondContact O-CG 3.41Å; K361-M365 PolarHBondContact O-N 3.15Å |
| 362 | E | 85.8 | Confident | 82.6 | Confident | 124 Ų | 124 | 80.2 Ų | 80.2 | 58% | 0.579 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61 | -45.6 | 175.6 | -70.4 | 177.9 | -172.6 | 0 | 0 | 111.9 | S358 D359 Q364 M365 L366 | S358-E362 PolarHBondContact O-N 3.49Å; D359-E362 PolarHBondContact O-N 3.3Å; E362-Q364 VanDerWaalsContact C-N 3.33Å; E362-Q364 PolarHBondContact O-N 3.12Å; E362-M365 PolarHBondContact O-N 3.49Å; E362-L366 WeakPolarHBondContact O-CG 3.43Å; E362-L366 PolarHBondContact O-N 2.8Å |
| 363 | K | 85.1 | Confident | 80.8 | Confident | 140 Ų | 140 | 80.1 Ų | 80.1 | 61% | 0.609 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.2 | -40.3 | 176.2 | -74.3 | 170.1 | -174.5 | 170.3 | 0 | 112.6 | D359 Y360 K367 | D359-K363 WeakPolarHBondContact O-CB 3.3Å; D359-K363 VanDerWaalsContact O-CG 3.26Å; D359-K363 WeakPolarHBondContact O-CG 3.33Å; D359-K363 PolarHBondContact O-N 2.88Å; Y360-K363 PolarHBondContact O-N 3.39Å; K363-K367 WeakPolarHBondContact O-CB 3.46Å; K363-K367 PolarHBondContact O-N 2.91Å |
| 364 | Q | 81.9 | Confident | 78.8 | Confident | 74 Ų | 74 | 86.8 Ų | 86.8 | 35% | 0.346 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 175 | -78.1 | -146 | -6 | 0 | 0 | 112.4 | Y360 K361 E362 L366 K367 I368 | Y360-Q364 HydrophobicContact CD1-CG 4.48Å; Y360-Q364 HydrophobicContact CE1-CG 4.05Å; Y360-Q364 VanDerWaalsContact CZ-NE2 3.3Å; Y360-Q364 PolarHBondContact O-N 3.07Å; Y360-Q364 PolarHBondContact OH-NE2 3.06Å; K361-Q364 PolarHBondContact O-N 2.89Å; E362-Q364 VanDerWaalsContact C-N 3.33Å; E362-Q364 PolarHBondContact O-N 3.12Å; Q364-L366 VanDerWaalsContact C-N 3.34Å; Q364-L366 PolarHBondContact O-N 3.01Å; Q364-K367 WeakPolarHBondContact O-CB 3.41Å; Q364-K367 PolarHBondContact O-N 3.5Å; Q364-I368 WeakPolarHBondContact O-CG1 3.34Å; Q364-I368 PolarHBondContact O-N 3.1Å |
| 365 | M | 77.4 | Confident | 76.7 | Confident | 110 Ų | 110 | 91.5 Ų | 91.5 | 54% | 0.542 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 177.8 | -66.9 | -68 | 168.2 | 0 | 0 | 111.9 | K361 E362 K367 I368 S369 | K361-M365 HydrophobicContact CG-CE 4.34Å; K361-M365 VanDerWaalsContact O-CG 3.25Å; K361-M365 WeakPolarHBondContact O-CG 3.41Å; K361-M365 PolarHBondContact O-N 3.15Å; E362-M365 PolarHBondContact O-N 3.49Å; M365-K367 VanDerWaalsContact C-N 3.35Å; M365-I368 PolarHBondContact O-N 3.17Å; M365-S369 PolarHBondContact O-N 3.04Å |
| 366 | L | 77.4 | Confident | 74.7 | Confident | 115 Ų | 115 | 88.8 Ų | 88.8 | 60% | 0.602 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.4 | -40.9 | 174.8 | -69.7 | 170.6 | 0 | 0 | 0 | 111.8 | E362 Q364 I368 S369 S370 | E362-L366 WeakPolarHBondContact O-CG 3.43Å; E362-L366 PolarHBondContact O-N 2.8Å; Q364-L366 VanDerWaalsContact C-N 3.34Å; Q364-L366 PolarHBondContact O-N 3.01Å; L366-I368 PolarHBondContact O-N 3.44Å; L366-S369 WeakPolarHBondContact CA-OG 3.39Å; L366-S369 PolarHBondContact O-N 3.05Å; L366-S369 PolarHBondContact O-OG 3.47Å; L366-S370 PolarHBondContact O-N 3.17Å; L366-S370 PolarHBondContact O-OG 3.5Å |
| 367 | K | 76.6 | Confident | 72.6 | Confident | 117 Ų | 117 | 96.6 Ų | 96.6 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 176 | -161.7 | 175 | 180 | -173.2 | 0 | 112.2 | K363 Q364 M365 S369 S370 E371 | K363-K367 WeakPolarHBondContact O-CB 3.46Å; K363-K367 PolarHBondContact O-N 2.91Å; Q364-K367 WeakPolarHBondContact O-CB 3.41Å; Q364-K367 PolarHBondContact O-N 3.5Å; M365-K367 VanDerWaalsContact C-N 3.35Å; K367-S369 VanDerWaalsContact C-N 3.34Å; K367-S369 PolarHBondContact O-N 2.95Å; K367-S370 PolarHBondContact O-N 2.68Å; K367-S370 PolarHBondContact O-OG 3.43Å; K367-E371 WeakPolarHBondContact O-CG 3.35Å; K367-E371 PolarHBondContact O-N 3.43Å |
| 368 | I | 73.9 | Confident | 70.3 | Confident | 84 Ų | 84 | 105.9 Ų | 105.9 | 43% | 0.431 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.5 | -40.9 | 176.3 | -63.9 | 162.4 | 0 | 0 | 0 | 111.2 | Q364 M365 L366 S370 E371 N372 | Q364-I368 WeakPolarHBondContact O-CG1 3.34Å; Q364-I368 PolarHBondContact O-N 3.1Å; M365-I368 PolarHBondContact O-N 3.17Å; L366-I368 PolarHBondContact O-N 3.44Å; I368-S370 PolarHBondContact O-N 3.4Å; I368-E371 PolarHBondContact O-N 3.15Å; I368-N372 PolarHBondContact O-N 3.45Å; I368-N372 VanDerWaalsContact O-N 3.1Å; I368-N372 PolarHBondContact O-ND2 3.05Å |
| 369 | S | 69.3 | Low | 68.2 | Low | 61 Ų | 61 | 108.4 Ų | 108.4 | 43% | 0.427 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66 | -35 | 178.8 | 71.3 | 0 | 0 | 0 | 0 | 113.3 | M365 L366 K367 S373 | M365-S369 PolarHBondContact O-N 3.04Å; L366-S369 WeakPolarHBondContact CA-OG 3.39Å; L366-S369 PolarHBondContact O-N 3.05Å; L366-S369 PolarHBondContact O-OG 3.47Å; K367-S369 VanDerWaalsContact C-N 3.34Å; K367-S369 PolarHBondContact O-N 2.95Å; S369-S373 PolarHBondContact O-N 3.11Å; S369-S373 PolarHBondContact O-OG 3.37Å |
| 370 | S | 68.3 | Low | 65.9 | Low | 69 Ų | 69 | 114.4 Ų | 114.4 | 48% | 0.483 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -75.2 | -35.2 | 177.1 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | L366 K367 I368 S373 | L366-S370 PolarHBondContact O-N 3.17Å; L366-S370 PolarHBondContact O-OG 3.5Å; K367-S370 PolarHBondContact O-N 2.68Å; K367-S370 PolarHBondContact O-OG 3.43Å; I368-S370 PolarHBondContact O-N 3.4Å; S370-S373 PolarHBondContact O-N 3.14Å |
| 371 | E | 63.2 | Low | 63.7 | Low | 121 Ų | 121 | 126.1 Ų | 126.1 | 57% | 0.565 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -66.7 | -37.8 | 174.1 | -73.4 | 171.6 | -176.6 | 0 | 0 | 111.6 | K367 I368 S373 N374 | K367-E371 WeakPolarHBondContact O-CG 3.35Å; K367-E371 PolarHBondContact O-N 3.43Å; I368-E371 PolarHBondContact O-N 3.15Å; E371-S373 PolarHBondContact O-N 3.3Å; E371-N374 PolarHBondContact O-N 3.42Å |
| 372 | N | 59.7 | Low | 62.7 | Low | 128 Ų | 128 | 126.1 Ų | 126.1 | 68% | 0.684 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -13.6 | 175.1 | -70.2 | -17.7 | 0 | 0 | 0 | 114.1 | I368 N374 | I368-N372 PolarHBondContact O-N 3.45Å; I368-N372 VanDerWaalsContact O-N 3.1Å; I368-N372 PolarHBondContact O-ND2 3.05Å; N372-N374 VanDerWaalsContact C-N 3.34Å |
| 373 | S | 57.5 | Low | 61.4 | Low | 87 Ų | 87 | 126.2 Ų | 126.2 | 61% | 0.608 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -1.4 | 177.4 | -56.5 | 0 | 0 | 0 | 0 | 113.3 | S369 S370 E371 P375 | S369-S373 PolarHBondContact O-N 3.11Å; S369-S373 PolarHBondContact O-OG 3.37Å; S370-S373 PolarHBondContact O-N 3.14Å; E371-S373 PolarHBondContact O-N 3.3Å; S373-P375 WeakPolarHBondContact O-CD 3.46Å |
| 374 | N | 51.9 | Low | 60.1 | Low | 143 Ų | 143 | 125.4 Ų | 125.4 | 77% | 0.765 | 68% | 0.675 | S | S | * | * | trans | -112.8 | 67.2 | 178.1 | -109.4 | 2.2 | 0 | 0 | 0 | 112.4 | E371 N372 G376 | E371-N374 PolarHBondContact O-N 3.42Å; N372-N374 VanDerWaalsContact C-N 3.34Å; N374-G376 PolarHBondContact O-N 2.72Å | ||
| 375 | P | 48.3 | Very low | 58.9 | Low | 122 Ų | 122 | 128.5 Ų | 128.5 | 79% | 0.792 | 69% | 0.694 | S | S | * | * | trans | -83.9 | 88.3 | 164.6 | 33.5 | -28.2 | 0 | 0 | 0 | 108.3 | S373 | S373-P375 WeakPolarHBondContact O-CD 3.46Š| ||
| 376 | G | 51.3 | Low | 57.7 | Low | 64 Ų | 64 | 129.6 Ų | 129.6 | 66% | 0.66 | 70% | 0.704 | S | S | * | * | trans | -177.4 | 83.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | N374 | N374-G376 PolarHBondContact O-N 2.72Š| ||
| 377 | K | 48.4 | Very low | 56.4 | Low | 203 Ų | 203 | 130.6 Ų | 130.6 | 88% | 0.883 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 148.4 | 75.8 | 135.8 | -80.5 | 179.5 | -178.4 | -169.3 | 0 | 111 | ||
| 378 | E | 43.4 | Very low | 54.9 | Low | 206 Ų | 206 | 131.6 Ų | 131.6 | 96% | 0.963 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -147.8 | 72.6 | 141.5 | -73.9 | -162.6 | 172.1 | 0 | 0 | 107.5 | ||
| 379 | A | 47.4 | Very low | 53.5 | Low | 84 Ų | 84 | 135.2 Ų | 135.2 | 69% | 0.694 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -150.7 | 126.9 | 154.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||
| 380 | E | 42.3 | Very low | 52.2 | Low | 200 Ų | 200 | 141.4 Ų | 141.4 | 94% | 0.935 | 77% | 0.774 | S | S | * | * | trans | 75.2 | 116.8 | 179.8 | -54.4 | 175 | 174 | 0 | 0 | 112.9 | ||||
| 381 | E | 44.3 | Very low | 50.7 | Low | 270 Ų | 270 | 148 Ų | 148 | 100% | 1.262 | 80% | 0.801 | S | S | * | * | cis | -151.6 | 0 | 36.3 | -157.3 | 172.9 | -158.8 | 0 | 0 | 111.7 |
Retrieved 381 of 381 residues in 238.2 ms
(Link to these results)