| 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 | 39.9 | Very low | 47.8 | Very low | 211 Ų | 211 | 150.5 Ų | 150.5 | 100% | 1.039 | 85% | 0.846 | S | S | * | * | 0 | 97.4 | 0 | -48.5 | -42.6 | -131.1 | 0 | 0 | 106.7 | |||||
| 2 | Q | 43.4 | Very low | 48.4 | Very low | 187 Ų | 187 | 156.8 Ų | 156.8 | 87% | 0.874 | 85% | 0.847 | S | S | * | * | 79.8 | 120 | 79.4 | -76.3 | 176.7 | -18.6 | 0 | 0 | 112 | |||||
| 3 | G | 48.9 | Very low | 48.9 | Very low | 80 Ų | 80 | 158.4 Ų | 158.4 | 83% | 0.825 | 85% | 0.845 | S | S | * | * | trans | 158.5 | 95.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 4 | L | 56.2 | Low | 48.5 | Very low | 160 Ų | 160 | 159.4 Ų | 159.4 | 84% | 0.838 | 85% | 0.85 | S | S | * | * | trans | -128.1 | 170.8 | -178.2 | -88.3 | 172.3 | 0 | 0 | 0 | 110.6 | ||||
| 5 | L | 47.7 | Very low | 48.1 | Very low | 150 Ų | 150 | 153.3 Ų | 153.3 | 79% | 0.785 | 84% | 0.84 | S | S | * | * | trans | 75.1 | 122.1 | 179.5 | -58 | 115.9 | 0 | 0 | 0 | 114 | ||||
| 6 | I | 50.4 | Low | 47.8 | Very low | 142 Ų | 142 | 159.2 Ų | 159.2 | 73% | 0.728 | 85% | 0.845 | S | S | * | * | cis | 84.6 | 103.1 | 42.6 | -60.5 | 161 | 0 | 0 | 0 | 112.9 | ||||
| 7 | Q | 51.3 | Low | 47.5 | Very low | 193 Ų | 193 | 158.9 Ų | 158.9 | 90% | 0.902 | 84% | 0.843 | S | S | * | * | trans | -166.6 | 129.5 | 139.4 | -99.4 | 159.8 | 17.8 | 0 | 0 | 105.9 | ||||
| 8 | A | 45 | Very low | 47.4 | Very low | 80 Ų | 80 | 156.9 Ų | 156.9 | 66% | 0.661 | 84% | 0.844 | S | S | * | * | cis | 107.8 | 136.2 | 22.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 9 | L | 47.1 | Very low | 47.5 | Very low | 176 Ų | 176 | 154.3 Ų | 154.3 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | trans | 63.7 | 105.4 | 164.5 | -62.3 | 166.8 | 0 | 0 | 0 | 119.5 | ||||
| 10 | A | 51.4 | Low | 47.1 | Very low | 94 Ų | 94 | 157.6 Ų | 157.6 | 78% | 0.777 | 83% | 0.834 | S | S | * | * | -168 | 91.5 | 122.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R12 | A10-R12 PolarHBondContact O-N 3.46Š| |||
| 11 | L | 44.9 | Very low | 47 | Very low | 183 Ų | 183 | 160.4 Ų | 160.4 | 96% | 0.958 | 84% | 0.839 | S | S | * | * | trans | -75 | 118.5 | 161.7 | -75.4 | 169.6 | 0 | 0 | 0 | 108.9 | ||||
| 12 | R | 54 | Low | 47.5 | Very low | 226 Ų | 226 | 157.3 Ų | 157.3 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | -118.1 | 100 | 173.2 | -97.4 | -172.1 | 168.4 | 178.9 | -2.9 | 113.5 | A10 | A10-R12 PolarHBondContact O-N 3.46Š| ||
| 13 | Q | 55.3 | Low | 47.9 | Very low | 177 Ų | 177 | 156.7 Ų | 156.7 | 83% | 0.827 | 83% | 0.828 | S | S | * | * | trans | 72.2 | 98.5 | 144.2 | -58.7 | -170.3 | -14.4 | 0 | 0 | 119 | ||||
| 14 | L | 43.3 | Very low | 47.8 | Very low | 173 Ų | 173 | 159.9 Ų | 159.9 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | trans | -51.1 | 132.8 | 148 | -65.9 | 163.2 | 0 | 0 | 0 | 110.1 | ||||
| 15 | G | 42.2 | Very low | 47.6 | Very low | 68 Ų | 68 | 158.5 Ų | 158.5 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | trans | -132.9 | 0.3 | -160.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 16 | R | 44.6 | Very low | 47.4 | Very low | 247 Ų | 247 | 154.6 Ų | 154.6 | 93% | 0.932 | 82% | 0.823 | S | S | * | * | trans | 174.7 | 96.2 | 160.3 | -101.9 | 160.2 | -173.7 | -137.4 | 0.6 | 112.2 | ||||
| 17 | L | 41.2 | Very low | 47.6 | Very low | 154 Ų | 154 | 154.5 Ų | 154.5 | 81% | 0.806 | 83% | 0.831 | S | S | * | * | trans | -96.3 | 108.3 | 157.9 | -72.3 | 172.8 | 0 | 0 | 0 | 108.2 | T19 | L17-T19 PolarHBondContact O-N 3.41Š| ||
| 18 | S | 47.3 | Very low | 47 | Very low | 124 Ų | 124 | 148.8 Ų | 148.8 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -74.2 | 112.7 | 173.1 | 53 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 19 | T | 47.6 | Very low | 47.3 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 66% | 0.656 | 83% | 0.83 | S | S | * | * | trans | -131.5 | 157.4 | 177.1 | 65.1 | 0 | 0 | 0 | 0 | 111.6 | L17 | L17-T19 PolarHBondContact O-N 3.41Š| ||
| 20 | R | 40.8 | Very low | 46.8 | Very low | 220 Ų | 220 | 151.4 Ų | 151.4 | 83% | 0.83 | 82% | 0.822 | S | S | * | * | trans | 70.4 | 95 | 167.8 | -51.8 | 177.8 | -170.7 | -148.6 | -2.1 | 116.9 | ||||
| 21 | K | 45.3 | Very low | 46.4 | Very low | 216 Ų | 216 | 156.2 Ų | 156.2 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | -118.3 | 110 | 112.4 | -75.5 | -167.4 | 176.4 | -175.9 | 0 | 108.7 | |||||
| 22 | L | 50.4 | Low | 46.5 | Very low | 147 Ų | 147 | 152.9 Ų | 152.9 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -106.7 | 130.4 | 164.1 | -72.8 | 171.2 | 0 | 0 | 0 | 106.9 | ||||
| 23 | L | 51.4 | Low | 46 | Very low | 173 Ų | 173 | 150.7 Ų | 150.7 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -137.1 | 153.8 | 156.2 | -76.8 | 179.4 | 0 | 0 | 0 | 107.9 | ||||
| 24 | N | 46.7 | Very low | 45.5 | Very low | 148 Ų | 148 | 154 Ų | 154 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | -84.6 | 156.9 | -151.2 | -67 | -20.1 | 0 | 0 | 0 | 114.8 | ||||
| 25 | P | 52.5 | Low | 45.8 | Very low | 130 Ų | 130 | 151.1 Ų | 151.1 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | trans | -69.7 | 150.9 | 160.3 | 32.6 | -35.2 | 0 | 0 | 0 | 111 | ||||
| 26 | G | 41.8 | Very low | 46.4 | Very low | 68 Ų | 68 | 153.5 Ų | 153.5 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | -146.5 | 130 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 27 | P | 56.5 | Low | 46.7 | Very low | 140 Ų | 140 | 153.1 Ų | 153.1 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -86.9 | 136 | 179 | 33.2 | -32.5 | 0 | 0 | 0 | 112 | ||||
| 28 | G | 37.6 | Very low | 47.5 | Very low | 73 Ų | 73 | 152 Ų | 152 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -153.8 | 132.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 29 | P | 50.9 | Low | 47.9 | Very low | 121 Ų | 121 | 154 Ų | 154 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | trans | -116.1 | 175.6 | -167.3 | 42.4 | -35.9 | 0 | 0 | 0 | 116.2 | ||||
| 30 | Y | 36.3 | Very low | 48.2 | Very low | 190 Ų | 190 | 157.9 Ų | 157.9 | 75% | 0.745 | 82% | 0.817 | S | S | * | * | trans | 80 | 138.3 | 152 | 141.6 | -107 | 0 | 0 | 0 | 118.2 | ||||
| 31 | W | 43.8 | Very low | 48.6 | Very low | 195 Ų | 195 | 154 Ų | 154 | 74% | 0.739 | 82% | 0.818 | S | S | * | * | trans | 68.6 | 139.6 | 177.9 | -36.7 | 92.9 | 0 | 0 | 0 | 113.6 | ||||
| 32 | T | 46.2 | Very low | 48.9 | Very low | 113 Ų | 113 | 155.4 Ų | 155.4 | 69% | 0.693 | 82% | 0.817 | S | S | * | * | cis | 83.9 | 94.5 | 21.7 | 77.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 33 | E | 44.2 | Very low | 49 | Very low | 180 Ų | 180 | 156.2 Ų | 156.2 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | trans | -130.6 | 89.9 | 149.7 | -106.3 | 176.3 | -172.1 | 0 | 0 | 109.8 | ||||
| 34 | W | 45.6 | Very low | 48.8 | Very low | 248 Ų | 248 | 155.1 Ų | 155.1 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | trans | -79 | 124.7 | 154.4 | -88.5 | 34.8 | 0 | 0 | 0 | 107 | P36 | W34-P36 WeakPolarHBondContact O-CD 3.42Š| ||
| 35 | C | 50.1 | Low | 48.6 | Very low | 111 Ų | 111 | 154 Ų | 154 | 75% | 0.75 | 81% | 0.814 | S | S | * | * | trans | -99.9 | 91.4 | 178.3 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 36 | P | 53.6 | Low | 47.7 | Very low | 119 Ų | 119 | 150.9 Ų | 150.9 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -69.1 | 145.4 | 169.7 | 30.9 | -35.5 | 0 | 0 | 0 | 110.5 | W34 | W34-P36 WeakPolarHBondContact O-CD 3.42Š| ||
| 37 | R | 51.8 | Low | 47.5 | Very low | 239 Ų | 239 | 153 Ų | 153 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -71.4 | 132.4 | 178.3 | -71.6 | -179.9 | 176.4 | 169 | -1.6 | 111.2 | L39 | R37-L39 PolarHBondContact O-N 2.84Š| ||
| 38 | T | 58.2 | Low | 46.9 | Very low | 131 Ų | 131 | 152.1 Ų | 152.1 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -35.2 | 123.5 | 174.3 | 49.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 39 | L | 55.6 | Low | 47.1 | Very low | 166 Ų | 166 | 152.9 Ų | 152.9 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -88 | 136.4 | 160.6 | -69.2 | 173.4 | 0 | 0 | 0 | 109.9 | R37 | R37-L39 PolarHBondContact O-N 2.84Š|
| 40 | H | 53.3 | Low | 46.8 | Very low | 188 Ų | 188 | 156.6 Ų | 156.6 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 125.7 | 173.3 | -111.9 | 65.7 | 0 | 0 | 0 | 110.3 | ||
| 41 | T | 48 | Very low | 47.3 | Very low | 138 Ų | 138 | 155.5 Ų | 155.5 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 131.1 | 168.2 | 48.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 42 | R | 53 | Low | 47.4 | Very low | 246 Ų | 246 | 153 Ų | 153 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | trans | -126.9 | 119 | 173.7 | -160.6 | 174.1 | -174.1 | -106 | 3.5 | 111 | ||||
| 43 | Q | 52.9 | Low | 47.3 | Very low | 164 Ų | 164 | 156.3 Ų | 156.3 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | trans | -58 | 165.1 | 167.7 | -77.2 | 178.7 | -0.8 | 0 | 0 | 112 | ||||
| 44 | L | 46 | Very low | 46.8 | Very low | 149 Ų | 149 | 151.6 Ų | 151.6 | 78% | 0.78 | 82% | 0.824 | S | S | * | * | cis | -163.4 | -173.9 | 11.4 | -128.5 | 165.6 | 0 | 0 | 0 | 110 | ||||
| 45 | C | 41.7 | Very low | 46.3 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | 77.5 | 143 | 165.4 | -143.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 46 | G | 34.6 | Very low | 45.9 | Very low | 65 Ų | 65 | 145.9 Ų | 145.9 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | cis | 169.2 | 164.7 | -10.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 47 | S | 38.6 | Very low | 45.2 | Very low | 111 Ų | 111 | 150 Ų | 150 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | 72.5 | 88.2 | 161 | -55.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 48 | T | 42.4 | Very low | 44.8 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | 45.6 | 129.7 | 120.4 | 58 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 49 | S | 43 | Very low | 44.8 | Very low | 88 Ų | 88 | 144.7 Ų | 144.7 | 62% | 0.615 | 81% | 0.807 | S | S | * | * | trans | 68 | 152.9 | 146.6 | 53.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 50 | F | 44.6 | Very low | 44.2 | Very low | 199 Ų | 199 | 146 Ų | 146 | 87% | 0.873 | 81% | 0.806 | S | S | * | * | cis | -136.4 | 172.7 | 22.7 | -71 | -94.8 | 0 | 0 | 0 | 114.6 | ||||
| 51 | L | 46.5 | Very low | 43.5 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -114.1 | 139.8 | 170.3 | -69.5 | 167.3 | 0 | 0 | 0 | 111 | ||||
| 52 | T | 45.5 | Very low | 42.8 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 87% | 0.871 | 79% | 0.789 | S | S | * | * | trans | -150.3 | 163 | 160.2 | 40.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 53 | L | 44 | Very low | 42.2 | Very low | 183 Ų | 183 | 141.8 Ų | 141.8 | 96% | 0.958 | 78% | 0.78 | S | S | * | * | trans | -101 | 158.1 | -169.5 | -87.9 | 65.6 | 0 | 0 | 0 | 114.2 | ||||
| 54 | G | 34.1 | Very low | 41.6 | Very low | 82 Ų | 82 | 139.2 Ų | 139.2 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | 146.7 | 146.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 55 | G | 35.6 | Very low | 41.4 | Very low | 57 Ų | 57 | 136.7 Ų | 136.7 | 59% | 0.588 | 78% | 0.781 | S | S | * | * | cis | 175 | 46.6 | 0.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 56 | H | 41.5 | Very low | 41.8 | Very low | 182 Ų | 182 | 140.3 Ų | 140.3 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | 69.5 | 159.9 | 159.2 | -29.3 | -79.5 | 0 | 0 | 0 | 120.9 | ||||
| 57 | K | 38.9 | Very low | 42.3 | Very low | 204 Ų | 204 | 142.1 Ų | 142.1 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | 85.8 | 107.6 | 157.1 | -62.2 | -179.6 | -174.6 | 178.1 | 0 | 121.6 | ||||
| 58 | L | 42.6 | Very low | 42.7 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -66.2 | 172.7 | 138.5 | -67.2 | 168.6 | 0 | 0 | 0 | 109.9 | ||||
| 59 | P | 58.6 | Low | 42.9 | Very low | 96 Ų | 96 | 150.2 Ų | 150.2 | 62% | 0.623 | 80% | 0.796 | S | S | * | * | cis | -154.5 | -177.7 | 25.6 | 45.4 | -24.6 | 0 | 0 | 0 | 119.7 | ||||
| 60 | K | 42.8 | Very low | 43.2 | Very low | 195 Ų | 195 | 152.3 Ų | 152.3 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | 69.2 | 157.9 | 145.9 | -80 | 162.6 | -170.3 | 176.1 | 0 | 117.8 | ||||
| 61 | R | 37.6 | Very low | 43.5 | Very low | 172 Ų | 172 | 150.6 Ų | 150.6 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | cis | -175 | 162.3 | -6.9 | 167.3 | -167.9 | -171.4 | -164.2 | 7.4 | 110.3 | ||||
| 62 | W | 33.8 | Very low | 43.8 | Very low | 191 Ų | 191 | 150.1 Ų | 150.1 | 72% | 0.723 | 80% | 0.797 | S | S | * | * | trans | 73.7 | 153.4 | 164.8 | -77.5 | -40.1 | 0 | 0 | 0 | 117.3 | ||||
| 63 | T | 41.1 | Very low | 43.9 | Very low | 119 Ų | 119 | 151 Ų | 151 | 73% | 0.73 | 79% | 0.791 | S | S | * | * | cis | -150.9 | 144.5 | 0.9 | -2.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 64 | S | 41 | Very low | 43.9 | Very low | 110 Ų | 110 | 149.8 Ų | 149.8 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | 26.7 | 127.5 | 140.4 | -165.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 65 | A | 40.8 | Very low | 45 | Very low | 97 Ų | 97 | 157.3 Ų | 157.3 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | -170.9 | 109.1 | 125 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 66 | K | 50.5 | Low | 45.5 | Very low | 200 Ų | 200 | 162 Ų | 162 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | trans | 24 | 113.1 | 146.4 | -60.9 | 177.5 | -179.7 | 177.5 | 0 | 122.8 | ||||
| 67 | S | 45.4 | Very low | 45.4 | Very low | 103 Ų | 103 | 162.7 Ų | 162.7 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | 58.1 | 119.5 | 120.1 | -165.3 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 68 | R | 45.3 | Very low | 45.9 | Very low | 239 Ų | 239 | 158.8 Ų | 158.8 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | -157 | 152.6 | 108.3 | -121.1 | 167.6 | -77.6 | -151 | 1.1 | 112.8 | |||||
| 69 | L | 47.3 | Very low | 46 | Very low | 166 Ų | 166 | 156.8 Ų | 156.8 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -93.6 | 140.3 | 175.3 | -68.6 | 166.9 | 0 | 0 | 0 | 110.3 | ||||
| 70 | V | 50.5 | Low | 45.1 | Very low | 132 Ų | 132 | 162.3 Ų | 162.3 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -133.8 | 138.2 | 159.6 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 71 | L | 50 | Low | 45.2 | Very low | 163 Ų | 163 | 162.7 Ų | 162.7 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -80.1 | 129.2 | -171.9 | -174.8 | 73.9 | 0 | 0 | 0 | 111.5 | ||||
| 72 | H | 53.1 | Low | 45.5 | Very low | 157 Ų | 157 | 164.8 Ų | 164.8 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -130.7 | 140.8 | 162.8 | -83.7 | -81.8 | 0 | 0 | 0 | 111.3 | ||||
| 73 | H | 47.4 | Very low | 45.5 | Very low | 160 Ų | 160 | 159.3 Ų | 159.3 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | trans | -72.6 | 142.5 | -170.4 | 51.5 | 56.7 | 0 | 0 | 0 | 113.1 | ||||
| 74 | M | 44.8 | Very low | 45.3 | Very low | 157 Ų | 157 | 157.2 Ų | 157.2 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | -78.9 | 129 | 167.4 | -64.5 | -162.4 | 76.3 | 0 | 0 | 110.6 | F76 | M74-F76 HydrophobicContact CB-CE2 4.2Å; M74-F76 HydrophobicContact CE-CZ 4.24Å; M74-F76 HydrophobicContact SD-CZ 4.43Å | ||
| 75 | R | 56.9 | Low | 45.3 | Very low | 240 Ų | 240 | 157.3 Ų | 157.3 | 91% | 0.906 | 83% | 0.83 | S | S | * | * | trans | -115.2 | 121.5 | 166.3 | -166.9 | 172 | -171.9 | 146.7 | 2.6 | 108.7 | ||||
| 76 | F | 44.7 | Very low | 45.3 | Very low | 156 Ų | 156 | 161 Ų | 161 | 68% | 0.684 | 83% | 0.828 | S | S | * | * | trans | -85.3 | 136.2 | -171.2 | -82.5 | -89.4 | 0 | 0 | 0 | 113.6 | M74 | M74-F76 HydrophobicContact CB-CE2 4.2Å; M74-F76 HydrophobicContact CE-CZ 4.24Å; M74-F76 HydrophobicContact SD-CZ 4.43Å | ||
| 77 | K | 40.8 | Very low | 44.6 | Very low | 196 Ų | 196 | 157 Ų | 157 | 85% | 0.852 | 82% | 0.82 | S | S | * | * | trans | 24.8 | 122 | 149.7 | -64.2 | 178 | 177.1 | 176.5 | 0 | 119 | ||||
| 78 | S | 49.8 | Very low | 44.5 | Very low | 123 Ų | 123 | 158.7 Ų | 158.7 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | -112 | 148.8 | 136.6 | 63.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 79 | S | 43.7 | Very low | 44.1 | Very low | 120 Ų | 120 | 154.4 Ų | 154.4 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -106.4 | 88.9 | -168.1 | 40.1 | 0 | 0 | 0 | 0 | 113 | K81 | S79-K81 PolarHBondContact O-N 3.36Š| ||
| 80 | K | 40.2 | Very low | 43.5 | Very low | 212 Ų | 212 | 155.5 Ų | 155.5 | 92% | 0.922 | 82% | 0.817 | S | S | * | * | trans | -77.6 | 92.5 | 175.7 | -165.2 | 160.4 | -173.1 | 169.1 | 0 | 111.4 | ||||
| 81 | K | 44 | Very low | 42.6 | Very low | 204 Ų | 204 | 158.5 Ų | 158.5 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | trans | -73.2 | 147.9 | 174.3 | -158.2 | 173 | -177 | -178.3 | 0 | 110.4 | S79 | S79-K81 PolarHBondContact O-N 3.36Š| ||
| 82 | K | 44.1 | Very low | 42.2 | Very low | 215 Ų | 215 | 157.7 Ų | 157.7 | 94% | 0.935 | 81% | 0.814 | S | S | * | * | trans | -103 | 134.9 | -169.5 | -177.1 | -178.3 | 179.5 | -178 | 0 | 111.9 | ||||
| 83 | G | 34.7 | Very low | 41.6 | Very low | 77 Ų | 77 | 157.9 Ų | 157.9 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | 150.9 | 146.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 84 | G | 36.3 | Very low | 41.6 | Very low | 75 Ų | 75 | 156.1 Ų | 156.1 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | cis | -159 | 160.5 | -7.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 85 | A | 41.3 | Very low | 41.7 | Very low | 112 Ų | 112 | 151.3 Ų | 151.3 | 93% | 0.926 | 79% | 0.788 | S | S | * | * | trans | -75.7 | 131.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 86 | K | 39.9 | Very low | 41.1 | Very low | 175 Ų | 175 | 147.5 Ų | 147.5 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | trans | -139.7 | 101.4 | 165.9 | -162.6 | 178.1 | -177.8 | -158.7 | 0 | 105.3 | ||||
| 87 | V | 36.3 | Very low | 41 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | 56.4 | 107 | 98.1 | 177 | 0 | 0 | 0 | 0 | 110.7 | Q89 | V87-Q89 HydrophobicContact CG1-CG 4.31Å; V87-Q89 PolarHBondContact O-N 3.1Å | |||
| 88 | V | 43.5 | Very low | 41.3 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | -61.8 | 127.6 | 166.8 | 178.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 89 | Q | 36.8 | Very low | 41.2 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | trans | -127.3 | 144.5 | 158 | -71.7 | -172.4 | -79.5 | 0 | 0 | 106.8 | V87 | V87-Q89 HydrophobicContact CG1-CG 4.31Å; V87-Q89 PolarHBondContact O-N 3.1Å | ||
| 90 | E | 34.2 | Very low | 41 | Very low | 190 Ų | 190 | 144.5 Ų | 144.5 | 89% | 0.888 | 75% | 0.751 | S | S | * | * | trans | -67.3 | 139.3 | -171.5 | -67.7 | 142.8 | 168.2 | 0 | 0 | 110.8 | E92 | E90-E92 PolarHBondContact O-N 2.99Å; E90-E92 VanDerWaalsContact O-N 3.13Å | ||
| 91 | E | 33.2 | Very low | 41.1 | Very low | 194 Ų | 194 | 141.3 Ų | 141.3 | 91% | 0.907 | 74% | 0.744 | S | S | * | * | trans | -77.8 | 94.2 | 178.9 | -65 | 172.5 | 167.5 | 0 | 0 | 108 | E93 | E91-E93 PolarHBondContact O-N 2.93Å; E91-E93 VanDerWaalsContact O-N 3.08Å | ||
| 92 | E | 41.2 | Very low | 41 | Very low | 146 Ų | 146 | 136 Ų | 136 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | trans | -61.7 | 109.6 | 157.8 | -99.1 | -163.4 | -161.8 | 0 | 0 | 106 | E90 D94 R142 | E90-E92 PolarHBondContact O-N 2.99Å; E90-E92 VanDerWaalsContact O-N 3.13Å; E92-D94 PolarHBondContact O-N 3.38Å; E92-R142 IonicContact OE1-NH2 2.88Å; E92-R142 IonicContact OE2-CZ 3.64Å; E92-R142 IonicContact OE2-NH1 2.62Å; E92-R142 PolarHBondContact OE2-NH1 3.48Å; E92-R142 IonicContact OE2-NH2 2.92Å; E92-R142 PolarHBondContact OE2-NH2 3.42Å | ||
| 93 | E | 40.4 | Very low | 40.9 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 75% | 0.752 | 71% | 0.712 | S | S | * | * | trans | -57.5 | 99.8 | -178.5 | -171.4 | 174.1 | -172.3 | 0 | 0 | 109.9 | E91 D95 | E91-E93 PolarHBondContact O-N 2.93Å; E91-E93 VanDerWaalsContact O-N 3.08Å; E93-D95 PolarHBondContact O-N 2.81Å | ||
| 94 | D | 46.7 | Very low | 41.1 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 66% | 0.663 | 71% | 0.711 | S | S | * | * | trans | -75.2 | 77.7 | 175.1 | -160.7 | 17.4 | 0 | 0 | 0 | 108 | E92 E96 | E92-D94 PolarHBondContact O-N 3.38Å; D94-E96 PolarHBondContact O-N 3.48Å | ||
| 95 | D | 46.3 | Very low | 41.5 | Very low | 55 Ų | 55 | 137.9 Ų | 137.9 | 29% | 0.294 | 70% | 0.703 | S | S | . | * | trans | -73.5 | 66.9 | -176.6 | -158.8 | 31.5 | 0 | 0 | 0 | 110.3 | E93 K97 R206 | E93-D95 PolarHBondContact O-N 2.81Å; D95-K97 PolarHBondContact O-N 2.67Å; D95-K97 WeakPolarHBondContact OD1-CE 3.36Å; D95-K97 VanDerWaalsContact OD1-CG 3.32Å; D95-K97 WeakPolarHBondContact OD1-CG 3.28Å; D95-K97 IonicContact OD1-NZ 3.12Å; D95-K97 PolarHBondContact OD1-NZ 3.16Å; D95-K97 WeakPolarHBondContact OD2-CD 3.36Å; D95-K97 IonicContact OD2-NZ 2.59Å; D95-K97 PolarHBondContact OD2-NZ 3.04Å; D95-R206 IonicContact OD2-NH2 3.51Å | ||
| 96 | E | 44.4 | Very low | 41.4 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | trans | -67 | 49.7 | 163.7 | -65.1 | -159.4 | 136 | 0 | 0 | 110.5 | D94 D98 | D94-E96 PolarHBondContact O-N 3.48Å; E96-D98 PolarHBondContact O-N 2.91Å | ||
| 97 | K | 42.7 | Very low | 42.1 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 51% | 0.513 | 69% | 0.69 | S | S | . | * | trans | -68.7 | 79 | 155.6 | -77.5 | -179 | -168.9 | 87 | 0 | 107.6 | D95 L99 | D95-K97 PolarHBondContact O-N 2.67Å; D95-K97 WeakPolarHBondContact OD1-CE 3.36Å; D95-K97 VanDerWaalsContact OD1-CG 3.32Å; D95-K97 WeakPolarHBondContact OD1-CG 3.28Å; D95-K97 IonicContact OD1-NZ 3.12Å; D95-K97 PolarHBondContact OD1-NZ 3.16Å; D95-K97 WeakPolarHBondContact OD2-CD 3.36Å; D95-K97 IonicContact OD2-NZ 2.59Å; D95-K97 PolarHBondContact OD2-NZ 3.04Å; K97-L99 PolarHBondContact O-N 2.79Å | ||
| 98 | D | 47.3 | Very low | 43.1 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 77% | 0.765 | 69% | 0.69 | S | S | * | * | trans | -31.7 | 97.5 | 158 | -175.2 | 17.6 | 0 | 0 | 0 | 109.8 | E96 E100 | E96-D98 PolarHBondContact O-N 2.91Å; D98-E100 VanDerWaalsContact C-N 3.26Å; D98-E100 PolarHBondContact O-N 3.04Å | ||
| 99 | L | 48.8 | Very low | 43.4 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 55% | 0.55 | 69% | 0.692 | S | S | . | * | trans | -86.5 | 86.3 | 167.6 | -74.1 | -173.9 | 0 | 0 | 0 | 106.2 | K97 Y124 | K97-L99 PolarHBondContact O-N 2.79Å; L99-Y124 HydrophobicContact CD1-CD2 3.91Å; L99-Y124 HydrophobicContact CD1-CG 4.47Å | ||
| 100 | E | 39.7 | Very low | 43.9 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 78% | 0.78 | 70% | 0.702 | S | S | * | * | trans | -13.8 | 136.1 | 168.7 | -171.2 | 173.1 | -133.6 | 0 | 0 | 114.4 | D98 S102 | D98-E100 VanDerWaalsContact C-N 3.26Å; D98-E100 PolarHBondContact O-N 3.04Å; E100-S102 VanDerWaalsContact C-N 3.25Å; E100-S102 PolarHBondContact O-N 3.09Å | ||
| 101 | D | 42.3 | Very low | 44.4 | Very low | 145 Ų | 145 | 138.2 Ų | 138.2 | 78% | 0.775 | 70% | 0.695 | S | S | * | * | trans | -63.8 | 74.1 | -167.9 | -166.1 | 24.2 | 0 | 0 | 0 | 114.1 | D103 | D101-D103 PolarHBondContact O-N 2.89Š| ||
| 102 | S | 40.9 | Very low | 45.4 | Very low | 91 Ų | 91 | 133.8 Ų | 133.8 | 64% | 0.636 | 69% | 0.686 | S | S | * | * | trans | -80.6 | 70.3 | 169.9 | -164.3 | 0 | 0 | 0 | 0 | 109.1 | E100 Y104 | E100-S102 VanDerWaalsContact C-N 3.25Å; E100-S102 PolarHBondContact O-N 3.09Å; S102-Y104 PolarHBondContact O-N 3.35Å | ||
| 103 | D | 42.4 | Very low | 45.8 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 52% | 0.524 | 69% | 0.692 | S | S | . | * | trans | -69.4 | 85.3 | 163.3 | -162.4 | 14.1 | 0 | 0 | 0 | 108.1 | D101 D105 K119 | D101-D103 PolarHBondContact O-N 2.89Å; D103-D105 PolarHBondContact O-N 3.18Å; D103-K119 IonicContact OD1-NZ 2.76Å; D103-K119 PolarHBondContact OD1-NZ 2.96Å; D103-K119 IonicContact OD2-NZ 3.91Å | ||
| 104 | Y | 38.8 | Very low | 46.2 | Very low | 197 Ų | 197 | 129.8 Ų | 129.8 | 77% | 0.773 | 69% | 0.687 | S | S | * | * | trans | -70.4 | 77.6 | 163.8 | -115.3 | -90.1 | 0 | 0 | 0 | 107.9 | S102 D106 | S102-Y104 PolarHBondContact O-N 3.35Å; Y104-D106 PolarHBondContact O-N 3.24Å | ||
| 105 | D | 44.5 | Very low | 46.6 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 60% | 0.599 | 69% | 0.688 | S | S | * | * | trans | -78.7 | 77.7 | 172 | -151.4 | 47.5 | 0 | 0 | 0 | 108.4 | D103 K119 | D103-D105 PolarHBondContact O-N 3.18Å; D105-K119 IonicContact OD1-NZ 2.7Å; D105-K119 PolarHBondContact OD1-NZ 2.91Å | ||
| 106 | D | 40.3 | Very low | 47.5 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | trans | -108 | 66.4 | 174.4 | -165.8 | 33.8 | 0 | 0 | 0 | 109.3 | Y104 | Y104-D106 PolarHBondContact O-N 3.24Š| ||
| 107 | E | 54.6 | Low | 49 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | trans | -120.5 | 140.3 | 159.7 | -84.2 | -147.9 | -154.8 | 0 | 0 | 106.8 | ||||
| 108 | P | 56.9 | Low | 51.1 | Low | 108 Ų | 108 | 129.8 Ų | 129.8 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | -146.7 | -174.1 | 72.4 | 39.4 | -20.1 | 0 | 0 | 0 | 116.4 | |||||
| 109 | E | 49.4 | Very low | 53.2 | Low | 188 Ų | 188 | 126.6 Ų | 126.6 | 88% | 0.879 | 67% | 0.67 | S | S | * | * | trans | 84.4 | 86.2 | 163 | -60.8 | 179.5 | -157.9 | 0 | 0 | 118.4 | ||||
| 110 | D | 46.9 | Very low | 55.2 | Low | 170 Ų | 170 | 124.3 Ų | 124.3 | 91% | 0.909 | 66% | 0.658 | S | S | * | * | trans | -131.1 | 146.5 | 130.7 | -170.7 | 18.6 | 0 | 0 | 0 | 108.6 | ||||
| 111 | D | 45.8 | Very low | 57.8 | Low | 140 Ų | 140 | 118 Ų | 118 | 75% | 0.749 | 63% | 0.629 | S | S | * | * | trans | -93.4 | 153.5 | -153.1 | -155.9 | -8.1 | 0 | 0 | 0 | 115.3 | ||||
| 112 | S | 54.1 | Low | 60.2 | Low | 102 Ų | 102 | 115.4 Ų | 115.4 | 71% | 0.713 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -22.4 | 122.9 | 175.1 | 52 | 0 | 0 | 0 | 0 | 119.3 | ||
| 113 | S | 48.4 | Very low | 62.8 | Low | 115 Ų | 115 | 115.4 Ų | 115.4 | 80% | 0.804 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -166.4 | -40.5 | 130.3 | -170.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 114 | V | 49.8 | Very low | 65.2 | Low | 108 Ų | 108 | 115.6 Ų | 115.6 | 66% | 0.655 | 60% | 0.595 | S | S | * | * | trans | -139.7 | 112.3 | 178.2 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | K116 | V114-K116 PolarHBondContact O-N 3.45Å; V114-K116 VanDerWaalsContact O-N 3.16Å | ||
| 115 | P | 54.3 | Low | 67.8 | Low | 104 Ų | 104 | 106.4 Ų | 106.4 | 68% | 0.675 | 56% | 0.559 | S | S | * | * | trans | -57.6 | 118.8 | 172.6 | -24 | 34.6 | 0 | 0 | 0 | 110.8 | D117 | P115-D117 WeakPolarHBondContact CB-OD1 3.43Š| ||
| 116 | K | 64.9 | Low | 70.1 | Confident | 158 Ų | 158 | 107 Ų | 107 | 69% | 0.687 | 56% | 0.559 | S | S | * | * | trans | -103.5 | 79.7 | 168.4 | -73.7 | 173.2 | -174.6 | 156.7 | 0 | 106.5 | V114 Y118 | V114-K116 PolarHBondContact O-N 3.45Å; V114-K116 VanDerWaalsContact O-N 3.16Å; K116-Y118 HydrophobicContact CB-CD1 4.14Å; K116-Y118 HydrophobicContact CB-CE1 4.08Å; K116-Y118 WeakPolarHBondContact O-CD1 3.43Å; K116-Y118 PolarHBondContact O-N 3Å | ||
| 117 | D | 76.9 | Confident | 72.7 | Confident | 108 Ų | 108 | 101.8 Ų | 101.8 | 58% | 0.578 | 53% | 0.534 | S | S | * | . | trans | -61.7 | 69.8 | -167.2 | -53.1 | -38.4 | 0 | 0 | 0 | 114.6 | P115 | P115-D117 WeakPolarHBondContact CB-OD1 3.43Š| ||
| 118 | Y | 85.8 | Confident | 74.6 | Confident | 86 Ų | 86 | 97.4 Ų | 97.4 | 34% | 0.337 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 137.9 | 170.8 | 62.8 | -109.7 | 0 | 0 | 0 | 110.5 | K116 R212 R213 W214 | K116-Y118 HydrophobicContact CB-CD1 4.14Å; K116-Y118 HydrophobicContact CB-CE1 4.08Å; K116-Y118 WeakPolarHBondContact O-CD1 3.43Å; K116-Y118 PolarHBondContact O-N 3Å; Y118-R212 HydrophobicContact CD2-CG 4.26Å; Y118-R212 VanDerWaalsContact CD2-CZ 3.49Å; Y118-R212 HydrophobicContact CG-CG 3.99Å; Y118-R212 VanDerWaalsContact CZ-CZ 3.45Å; Y118-R212 PolarHBondContact OH-NH1 2.83Å; Y118-R213 VanDerWaalsContact CA-O 3.26Å; Y118-R213 WeakPolarHBondContact CA-O 3.49Å; Y118-W214 AromaticContact CD1-CZ2 3.89Å; Y118-W214 HydrophobicContact CD1-CZ2 3.89Å; Y118-W214 HydrophobicContact CG-CZ2 4.34Å |
| 119 | K | 91.4 | Very high | 76.4 | Confident | 77 Ų | 77 | 95.9 Ų | 95.9 | 34% | 0.335 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 133.5 | 155.9 | -170.6 | 159.7 | 174.7 | 173.2 | 0 | 106.8 | D103 D105 I121 R213 | D103-K119 IonicContact OD1-NZ 2.76Å; D103-K119 PolarHBondContact OD1-NZ 2.96Å; D103-K119 IonicContact OD2-NZ 3.91Å; D105-K119 IonicContact OD1-NZ 2.7Å; D105-K119 PolarHBondContact OD1-NZ 2.91Å; K119-I121 HydrophobicContact CB-CG1 4.48Å; K119-I121 HydrophobicContact CG-CG1 4.38Å; K119-R213 PolarHBondContact N-O 2.84Å; K119-R213 VanDerWaalsContact N-O 3.13Å; K119-R213 PolarHBondContact O-N 2.9Å |
| 120 | D | 91.9 | Very high | 78.6 | Confident | 57 Ų | 57 | 87 Ų | 87 | 31% | 0.305 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 131 | 167.2 | -77.6 | -25.9 | 0 | 0 | 0 | 108 | K195 V210 R212 | D120-K195 WeakPolarHBondContact OD1-CD 3.05Å; D120-K195 IonicContact OD1-NZ 3.69Å; D120-K195 IonicContact OD2-NZ 2.68Å; D120-K195 PolarHBondContact OD2-NZ 2.92Å; D120-V210 HydrophobicContact CB-CG1 4.48Å; D120-R212 WeakPolarHBondContact OD1-CA 3.27Å; D120-R212 WeakPolarHBondContact OD1-CB 3.49Å; D120-R212 WeakPolarHBondContact OD1-CG 3.5Å; D120-R212 IonicContact OD1-CZ 3.58Å; D120-R212 IonicContact OD1-NE 2.73Å; D120-R212 PolarHBondContact OD1-NE 3.05Å; D120-R212 IonicContact OD1-NH2 3.57Å; D120-R212 IonicContact OD2-CZ 3.49Å; D120-R212 IonicContact OD2-NE 3.42Å; D120-R212 PolarHBondContact OD2-NE 2.76Å; D120-R212 IonicContact OD2-NH2 2.72Å; D120-R212 PolarHBondContact OD2-NH2 2.86Å |
| 121 | I | 93.1 | Very high | 80.9 | Confident | 35 Ų | 35 | 79.5 Ų | 79.5 | 18% | 0.179 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 127.2 | -171.1 | -48.9 | 179.5 | 0 | 0 | 0 | 109.1 | K119 K123 V210 L211 R213 | K119-I121 HydrophobicContact CB-CG1 4.48Å; K119-I121 HydrophobicContact CG-CG1 4.38Å; I121-K123 HydrophobicContact CG2-CD 4.45Å; I121-K123 HydrophobicContact CG2-CG 4Å; I121-V210 WeakPolarHBondContact O-CA 3.43Å; I121-L211 PolarHBondContact N-O 3.31Å; I121-L211 PolarHBondContact O-N 2.99Å; I121-R213 HydrophobicContact CD1-CB 3.81Å; I121-R213 HydrophobicContact CD1-CG 4.31Å; I121-R213 HydrophobicContact CG1-CB 4.43Å |
| 122 | E | 93.8 | Very high | 83.3 | Confident | 89 Ų | 89 | 74.4 Ų | 74.4 | 42% | 0.416 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 128.8 | 169.6 | -45.8 | -150.8 | 138 | 0 | 0 | 109.8 | L198 K208 V209 V210 | E122-L198 WeakPolarHBondContact OE1-CD1 3.24Å; E122-K208 WeakPolarHBondContact OE2-CE 3.35Å; E122-K208 IonicContact OE2-NZ 3.58Å; E122-K208 PolarHBondContact OE2-NZ 2.88Å; E122-V209 WeakPolarHBondContact CA-O 3.24Å; E122-V210 HydrophobicContact CB-CG2 4.35Å; E122-V210 HydrophobicContact CG-CG1 4.49Å; E122-V210 HydrophobicContact CG-CG2 3.74Å; E122-V210 VanDerWaalsContact OE1-CG2 3.24Å; E122-V210 WeakPolarHBondContact OE1-CG2 3.29Å |
| 123 | K | 93.9 | Very high | 85.2 | Confident | 92 Ų | 92 | 69.5 Ų | 69.5 | 40% | 0.4 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 158.7 | 175 | -71.4 | -62.3 | -179.2 | -173.9 | 0 | 111 | I121 A136 V209 | I121-K123 HydrophobicContact CG2-CD 4.45Å; I121-K123 HydrophobicContact CG2-CG 4Å; K123-A136 HydrophobicContact CB-CB 4.36Å; K123-V209 PolarHBondContact N-O 3.34Å; K123-V209 WeakPolarHBondContact O-CG2 3.33Å; K123-V209 PolarHBondContact O-N 3.46Å |
| 124 | Y | 93.4 | Very high | 87.5 | Confident | 101 Ų | 101 | 64 Ų | 64 | 40% | 0.396 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 132.8 | 171.4 | -64.8 | -85.3 | 0 | 0 | 0 | 109.9 | L99 R206 Y207 K208 | L99-Y124 HydrophobicContact CD1-CD2 3.91Å; L99-Y124 HydrophobicContact CD1-CG 4.47Å; Y124-R206 HydrophobicContact CD1-CB 4.47Å; Y124-Y207 CarbonylContact C-O 3.59Å; Y124-Y207 WeakPolarHBondContact CA-O 3.36Å; Y124-K208 HydrophobicContact CD1-CB 3.88Å; Y124-K208 HydrophobicContact CD1-CG 4.16Å; Y124-K208 HydrophobicContact CE1-CB 3.64Å; Y124-K208 HydrophobicContact CE1-CD 4.01Å; Y124-K208 HydrophobicContact CE1-CG 3.75Å |
| 125 | V | 93.9 | Very high | 89.6 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.024 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 140 | -178.5 | -63.9 | 0 | 0 | 0 | 0 | 111.3 | S127 V132 I133 A136 Y207 V209 | V125-S127 VanDerWaalsContact C-N 3.31Å; V125-S127 PolarHBondContact O-N 3.44Å; V125-V132 HydrophobicContact CB-CG1 4.01Å; V125-V132 HydrophobicContact CG1-CG1 4.35Å; V125-I133 HydrophobicContact CB-CD1 4.45Å; V125-I133 HydrophobicContact CG1-CD1 4.25Å; V125-I133 HydrophobicContact CG2-CD1 4.01Å; V125-A136 HydrophobicContact CG1-CB 3.64Å; V125-Y207 PolarHBondContact N-O 3.07Å; V125-Y207 PolarHBondContact O-N 3.45Å; V125-V209 HydrophobicContact CB-CG2 4.46Å; V125-V209 HydrophobicContact CG1-CG2 3.86Å; V125-V209 HydrophobicContact CG2-CB 4.45Å; V125-V209 HydrophobicContact CG2-CG1 3.78Å; V125-V209 HydrophobicContact CG2-CG2 3.76Å |
| 126 | Q | 93.2 | Very high | 91.5 | Very high | 125 Ų | 125 | 59.8 Ų | 59.8 | 58% | 0.584 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -67.8 | -29.9 | 177.6 | -68.3 | 167.6 | -22.4 | 0 | 0 | 112.4 | ||
| 127 | S | 93.7 | Very high | 92.9 | Very high | 35 Ų | 35 | 52.3 Ų | 52.3 | 25% | 0.245 | 25% | 0.247 | C | C | . | . | trans | -164.5 | 156.7 | 178.7 | 58.5 | 0 | 0 | 0 | 0 | 112.9 | V125 R129 V132 | V125-S127 VanDerWaalsContact C-N 3.31Å; V125-S127 PolarHBondContact O-N 3.44Å; S127-R129 PolarHBondContact O-N 2.67Å; S127-R129 WeakPolarHBondContact OG-CD 3.42Å; S127-R129 WeakPolarHBondContact OG-CG 3.36Å; S127-V132 WeakPolarHBondContact O-CG1 3.18Å | ||
| 128 | F | 94.6 | Very high | 93.6 | Very high | 43 Ų | 43 | 47.2 Ų | 47.2 | 19% | 0.189 | 22% | 0.219 | C | C | . | . | trans | -75.6 | 32.7 | 177.7 | -49.6 | -74.1 | 0 | 0 | 0 | 114.3 | L167 V168 F194 E197 Y207 V209 | F128-L167 WeakPolarHBondContact O-CA 3.26Å; F128-V168 PolarHBondContact O-N 2.86Å; F128-F194 AromaticContact CD1-CE1 3.74Å; F128-F194 HydrophobicContact CD1-CE1 3.74Å; F128-F194 AromaticContact CD1-CZ 3.68Å; F128-F194 HydrophobicContact CD1-CZ 3.68Å; F128-F194 HydrophobicContact CE1-CE1 4.18Å; F128-F194 AromaticContact CE1-CZ 3.66Å; F128-F194 HydrophobicContact CE1-CZ 3.66Å; F128-E197 HydrophobicContact CE1-CB 4.5Å; F128-Y207 HydrophobicContact CE1-CG 4.36Å; F128-Y207 AromaticContact CE2-CD1 3.89Å; F128-Y207 HydrophobicContact CE2-CD1 3.89Å; F128-Y207 HydrophobicContact CE2-CD2 4.17Å; F128-Y207 HydrophobicContact CE2-CE1 4.13Å; F128-Y207 HydrophobicContact CE2-CE2 4.42Å; F128-Y207 AromaticContact CE2-CG 3.91Å; F128-Y207 HydrophobicContact CE2-CG 3.91Å; F128-Y207 AromaticContact CZ-CD1 3.65Å; F128-Y207 HydrophobicContact CZ-CD1 3.65Å; F128-Y207 HydrophobicContact CZ-CD2 4.21Å; F128-Y207 HydrophobicContact CZ-CE1 4.33Å; F128-Y207 AromaticContact CZ-CG 3.57Å; F128-Y207 HydrophobicContact CZ-CG 3.57Å; F128-V209 HydrophobicContact CD1-CG1 4.28Å; F128-V209 HydrophobicContact CE1-CG1 3.66Å | ||
| 129 | R | 95.3 | Very high | 93.9 | Very high | 77 Ų | 77 | 49.6 Ų | 49.6 | 29% | 0.291 | 24% | 0.238 | S | C | . | . | B | Isolated β-bridge | trans | -79.7 | 142.6 | 174.8 | -64.4 | 167.6 | 50.3 | 148.2 | -6.7 | 110.3 | S127 D131 V132 I133 S165 L167 | S127-R129 PolarHBondContact O-N 2.67Å; S127-R129 WeakPolarHBondContact OG-CD 3.42Å; S127-R129 WeakPolarHBondContact OG-CG 3.36Å; R129-D131 VanDerWaalsContact C-N 3.27Å; R129-D131 WeakPolarHBondContact CB-OD1 3.36Å; R129-D131 IonicContact CZ-OD1 3.62Å; R129-D131 IonicContact CZ-OD2 2.67Å; R129-D131 IonicContact NE-OD1 3.2Å; R129-D131 PolarHBondContact NE-OD1 2.77Å; R129-D131 IonicContact NE-OD2 3.8Å; R129-D131 IonicContact NH2-OD1 2.77Å; R129-D131 IonicContact NH2-OD2 3.4Å; R129-D131 PolarHBondContact NH2-OD2 2.92Å; R129-D131 PolarHBondContact O-N 2.92Å; R129-V132 HydrophobicContact CB-CB 4.39Å; R129-V132 HydrophobicContact CB-CG2 4.17Å; R129-V132 PolarHBondContact O-N 3.15Å; R129-V132 VanDerWaalsContact O-N 3.09Å; R129-I133 WeakPolarHBondContact O-CG1 3.47Å; R129-I133 PolarHBondContact O-N 3.34Å; R129-S165 PolarHBondContact NH2-OG 2.89Å; R129-L167 HydrophobicContact CG-CD2 4.42Å |
| 130 | Y | 95.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -53.6 | -42.2 | -179.9 | -172.8 | -71.8 | 0 | 0 | 0 | 112.9 | M134 L154 W155 L156 L161 K166 V168 L174 D175 | Y130-M134 HydrophobicContact CD1-CB 4.45Å; Y130-M134 HydrophobicContact CE1-CB 4.31Å; Y130-M134 HydrophobicContact CE1-CE 3.77Å; Y130-M134 WeakPolarHBondContact O-CB 3.32Å; Y130-M134 PolarHBondContact O-N 3.3Å; Y130-M134 VanDerWaalsContact OH-CE 3.23Å; Y130-M134 WeakPolarHBondContact OH-CE 3.4Å; Y130-L154 HydrophobicContact CE1-CB 4.14Å; Y130-L154 HydrophobicContact CE1-CD1 3.95Å; Y130-L154 HydrophobicContact CE1-CD2 4.11Å; Y130-L154 HydrophobicContact CE1-CG 4.3Å; Y130-W155 PolarHBondContact OH-N 3.46Å; Y130-W155 PolarHBondContact OH-O 2.9Å; Y130-L156 HydrophobicContact CD2-CB 4.31Å; Y130-L156 HydrophobicContact CD2-CD1 4.09Å; Y130-L156 HydrophobicContact CD2-CD2 4.35Å; Y130-L156 HydrophobicContact CD2-CG 4.49Å; Y130-L156 HydrophobicContact CE2-CB 3.85Å; Y130-L156 HydrophobicContact CE2-CD1 3.99Å; Y130-L156 HydrophobicContact CE2-CG 4.38Å; Y130-L161 HydrophobicContact CD1-CD2 3.42Å; Y130-L161 VanDerWaalsContact CD1-CD2 3.42Å; Y130-L161 HydrophobicContact CD2-CD1 3.93Å; Y130-L161 HydrophobicContact CD2-CD2 4.18Å; Y130-L161 HydrophobicContact CE1-CD2 3.6Å; Y130-L161 HydrophobicContact CE2-CD1 4.22Å; Y130-L161 HydrophobicContact CE2-CD2 4.29Å; Y130-L161 HydrophobicContact CG-CD1 4.13Å; Y130-L161 HydrophobicContact CG-CD2 3.75Å; Y130-K166 PolarHBondContact N-O 3.48Å; Y130-V168 HydrophobicContact CD2-CG2 4.32Å; Y130-L174 HydrophobicContact CD1-CD2 4.36Å; Y130-L174 HydrophobicContact CD2-CD2 3.67Å; Y130-L174 HydrophobicContact CD2-CG 3.94Å; Y130-L174 HydrophobicContact CE1-CD2 4.37Å; Y130-L174 HydrophobicContact CE2-CB 3.75Å; Y130-L174 HydrophobicContact CE2-CD2 3.73Å; Y130-L174 HydrophobicContact CE2-CG 3.66Å; Y130-L174 HydrophobicContact CG-CD2 4.01Å; Y130-D175 PolarHBondContact OH-O 2.81Å |
| 131 | D | 94.9 | Very high | 94 | Very high | 12 Ų | 12 | 47.3 Ų | 47.3 | 6% | 0.064 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.4 | -41.8 | 178.1 | 45.9 | 11 | 0 | 0 | 0 | 113.1 | R129 K135 V145 | R129-D131 VanDerWaalsContact C-N 3.27Å; R129-D131 WeakPolarHBondContact CB-OD1 3.36Å; R129-D131 IonicContact CZ-OD1 3.62Å; R129-D131 IonicContact CZ-OD2 2.67Å; R129-D131 IonicContact NE-OD1 3.2Å; R129-D131 PolarHBondContact NE-OD1 2.77Å; R129-D131 IonicContact NE-OD2 3.8Å; R129-D131 IonicContact NH2-OD1 2.77Å; R129-D131 IonicContact NH2-OD2 3.4Å; R129-D131 PolarHBondContact NH2-OD2 2.92Å; R129-D131 PolarHBondContact O-N 2.92Å; D131-K135 PolarHBondContact O-N 3.42Å; D131-V145 HydrophobicContact CB-CG1 4.48Å |
| 132 | V | 95.3 | Very high | 93.9 | Very high | 33 Ų | 33 | 50.8 Ų | 50.8 | 20% | 0.2 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.8 | -46.7 | 176.9 | 178.7 | 0 | 0 | 0 | 0 | 111.8 | V125 S127 R129 M134 K135 A136 | V125-V132 HydrophobicContact CB-CG1 4.01Å; V125-V132 HydrophobicContact CG1-CG1 4.35Å; S127-V132 WeakPolarHBondContact O-CG1 3.18Å; R129-V132 HydrophobicContact CB-CB 4.39Å; R129-V132 HydrophobicContact CB-CG2 4.17Å; R129-V132 PolarHBondContact O-N 3.15Å; R129-V132 VanDerWaalsContact O-N 3.09Å; V132-M134 VanDerWaalsContact C-N 3.29Å; V132-M134 PolarHBondContact O-N 3.44Å; V132-K135 PolarHBondContact O-N 2.73Å; V132-A136 PolarHBondContact O-N 2.83Å |
| 133 | I | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63 | -36.9 | 177.6 | -61.8 | -62.9 | 0 | 0 | 0 | 110.9 | V125 R129 A136 G137 V168 L174 L211 | V125-I133 HydrophobicContact CB-CD1 4.45Å; V125-I133 HydrophobicContact CG1-CD1 4.25Å; V125-I133 HydrophobicContact CG2-CD1 4.01Å; R129-I133 WeakPolarHBondContact O-CG1 3.47Å; R129-I133 PolarHBondContact O-N 3.34Å; I133-A136 PolarHBondContact O-N 2.68Å; I133-G137 PolarHBondContact O-N 2.72Å; I133-V168 HydrophobicContact CG1-CB 4.48Å; I133-V168 HydrophobicContact CG1-CG2 4.3Å; I133-L174 HydrophobicContact CB-CD2 4.11Å; I133-L174 HydrophobicContact CG2-CD1 4.26Å; I133-L174 HydrophobicContact CG2-CD2 3.75Å; I133-L211 HydrophobicContact CG2-CD1 4.3Å; I133-L211 HydrophobicContact CG2-CD2 4.01Å |
| 134 | M | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72 | -36.9 | 177.2 | -163.9 | 65 | 97.5 | 0 | 0 | 112.7 | Y130 V132 L138 I140 V145 L154 L174 L176 V192 | Y130-M134 HydrophobicContact CD1-CB 4.45Å; Y130-M134 HydrophobicContact CE1-CB 4.31Å; Y130-M134 HydrophobicContact CE1-CE 3.77Å; Y130-M134 WeakPolarHBondContact O-CB 3.32Å; Y130-M134 PolarHBondContact O-N 3.3Å; Y130-M134 VanDerWaalsContact OH-CE 3.23Å; Y130-M134 WeakPolarHBondContact OH-CE 3.4Å; V132-M134 VanDerWaalsContact C-N 3.29Å; V132-M134 PolarHBondContact O-N 3.44Å; M134-L138 HydrophobicContact CE-CD1 4.39Å; M134-L138 HydrophobicContact CG-CD1 4.08Å; M134-L138 HydrophobicContact CG-CG 4.46Å; M134-L138 WeakPolarHBondContact O-CB 3.45Å; M134-L138 PolarHBondContact O-N 2.73Å; M134-L138 VanDerWaalsContact O-N 3.14Å; M134-L138 HydrophobicContact SD-CD1 3.29Å; M134-L138 WeakPolarHBondContact SD-CD1 3.47Å; M134-L138 HydrophobicContact SD-CG 3.61Å; M134-I140 HydrophobicContact CG-CD1 4.38Å; M134-V145 HydrophobicContact CB-CG1 4.2Å; M134-V145 HydrophobicContact CG-CG1 4.33Å; M134-L154 HydrophobicContact CE-CD2 4.09Å; M134-L174 HydrophobicContact CE-CB 3.63Å; M134-L174 HydrophobicContact CE-CD2 4.48Å; M134-L174 HydrophobicContact SD-CB 4.42Å; M134-L176 HydrophobicContact CE-CB 4.18Å; M134-V192 HydrophobicContact SD-CG2 4.05Å |
| 135 | K | 95.2 | Very high | 94.1 | Very high | 99 Ų | 99 | 49.8 Ų | 49.8 | 43% | 0.43 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -54.9 | -55.1 | 168.8 | 178.9 | -174.8 | 178.4 | -178 | 0 | 109.8 | D131 V132 D139 I140 | D131-K135 PolarHBondContact O-N 3.42Å; V132-K135 PolarHBondContact O-N 2.73Å; K135-D139 VanDerWaalsContact O-CA 3.29Å; K135-D139 WeakPolarHBondContact O-CA 3.15Å; K135-D139 PolarHBondContact O-N 2.67Å; K135-I140 PolarHBondContact O-N 2.87Å |
| 136 | A | 94.2 | Very high | 94.2 | Very high | 23 Ų | 23 | 51.7 Ų | 51.7 | 19% | 0.19 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.1 | -38.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K123 V125 V132 I133 L211 | K123-A136 HydrophobicContact CB-CB 4.36Å; V125-A136 HydrophobicContact CG1-CB 3.64Å; V132-A136 PolarHBondContact O-N 2.83Å; I133-A136 PolarHBondContact O-N 2.68Å; A136-L211 HydrophobicContact CB-CD1 4.38Å |
| 137 | G | 92.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -77.3 | -35.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I133 R213 | I133-G137 PolarHBondContact O-N 2.72Å; G137-R213 WeakPolarHBondContact O-CD 3.44Å; G137-R213 WeakPolarHBondContact O-CG 3.07Å; G137-R213 PolarHBondContact O-NH1 3.15Å |
| 138 | L | 92.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -99.9 | -5.8 | 179.1 | -63.8 | -172.1 | 0 | 0 | 0 | 114.3 | M134 I140 L176 L190 V192 R213 | M134-L138 HydrophobicContact CE-CD1 4.39Å; M134-L138 HydrophobicContact CG-CD1 4.08Å; M134-L138 HydrophobicContact CG-CG 4.46Å; M134-L138 WeakPolarHBondContact O-CB 3.45Å; M134-L138 PolarHBondContact O-N 2.73Å; M134-L138 VanDerWaalsContact O-N 3.14Å; M134-L138 HydrophobicContact SD-CD1 3.29Å; M134-L138 WeakPolarHBondContact SD-CD1 3.47Å; M134-L138 HydrophobicContact SD-CG 3.61Å; L138-I140 HydrophobicContact CB-CD1 3.89Å; L138-I140 HydrophobicContact CB-CG1 3.94Å; L138-I140 HydrophobicContact CB-CG2 4.25Å; L138-I140 HydrophobicContact CD1-CD1 4.01Å; L138-L176 HydrophobicContact CD1-CB 4.07Å; L138-L176 HydrophobicContact CD1-CD2 3.84Å; L138-L190 HydrophobicContact CD1-CB 3.59Å; L138-L190 HydrophobicContact CD1-CD1 4.11Å; L138-L190 HydrophobicContact CD1-CD2 4.43Å; L138-L190 HydrophobicContact CD1-CG 4.26Å; L138-L190 HydrophobicContact CD2-CB 3.89Å; L138-L190 HydrophobicContact CD2-CD2 3.93Å; L138-L190 HydrophobicContact CD2-CG 4.48Å; L138-L190 HydrophobicContact CG-CB 4.41Å; L138-V192 HydrophobicContact CD2-CG2 3.39Å; L138-V192 HydrophobicContact CG-CG2 3.62Å; L138-R213 VanDerWaalsContact C-CZ 3.48Å; L138-R213 HydrophobicContact CD2-CG 4.16Å; L138-R213 PolarHBondContact O-NH1 3.46Å; L138-R213 VanDerWaalsContact O-NH1 3.14Å; L138-R213 PolarHBondContact O-NH2 3.12Å |
| 139 | D | 91.6 | Very high | 94.5 | Very high | 136 Ų | 136 | 49.7 Ų | 49.7 | 73% | 0.727 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 59.2 | -176.3 | -169 | 35.2 | 0 | 0 | 0 | 111.7 | K135 | K135-D139 VanDerWaalsContact O-CA 3.29Å; K135-D139 WeakPolarHBondContact O-CA 3.15Å; K135-D139 PolarHBondContact O-N 2.67Å |
| 140 | I | 92.1 | Very high | 94.5 | Very high | 30 Ų | 30 | 53.5 Ų | 53.5 | 15% | 0.154 | 27% | 0.266 | C | S | . | . | trans | -129 | 135.1 | -178.4 | 55.5 | -179.6 | 0 | 0 | 0 | 110.5 | M134 K135 L138 R142 V145 L176 | M134-I140 HydrophobicContact CG-CD1 4.38Å; K135-I140 PolarHBondContact O-N 2.87Å; L138-I140 HydrophobicContact CB-CD1 3.89Å; L138-I140 HydrophobicContact CB-CG1 3.94Å; L138-I140 HydrophobicContact CB-CG2 4.25Å; L138-I140 HydrophobicContact CD1-CD1 4.01Å; I140-R142 PolarHBondContact O-N 2.98Å; I140-V145 HydrophobicContact CD1-CG2 3.78Å; I140-V145 HydrophobicContact CG1-CG2 3.8Å; I140-L176 HydrophobicContact CD1-CD2 3.89Å | ||
| 141 | A | 93.8 | Very high | 94.4 | Very high | 57 Ų | 57 | 55.6 Ų | 55.6 | 47% | 0.471 | 29% | 0.288 | S | S | . | . | trans | -51.4 | 137.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N143 K144 | A141-N143 PolarHBondContact O-N 3.31Å; A141-N143 VanDerWaalsContact O-N 3.07Å; A141-K144 WeakPolarHBondContact O-CB 3.46Å; A141-K144 PolarHBondContact O-N 2.99Å | ||
| 142 | R | 92.2 | Very high | 94.4 | Very high | 108 Ų | 108 | 59.9 Ų | 59.9 | 41% | 0.408 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -50.1 | -39.5 | -174.9 | -176.7 | 167.1 | 165.9 | -174.2 | -15.4 | 112.3 | E92 I140 K144 V145 E146 | E92-R142 IonicContact OE1-NH2 2.88Å; E92-R142 IonicContact OE2-CZ 3.64Å; E92-R142 IonicContact OE2-NH1 2.62Å; E92-R142 PolarHBondContact OE2-NH1 3.48Å; E92-R142 IonicContact OE2-NH2 2.92Å; E92-R142 PolarHBondContact OE2-NH2 3.42Å; I140-R142 PolarHBondContact O-N 2.98Å; R142-K144 VanDerWaalsContact C-N 3.32Å; R142-K144 PolarHBondContact O-N 3.33Å; R142-V145 WeakPolarHBondContact O-CA 3.47Å; R142-V145 WeakPolarHBondContact O-CB 3.16Å; R142-V145 PolarHBondContact O-N 3.01Å; R142-E146 PolarHBondContact O-N 2.86Å |
| 143 | N | 95.4 | Very high | 94.3 | Very high | 122 Ų | 122 | 62.8 Ų | 62.8 | 65% | 0.652 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -54.6 | -43.6 | 176.5 | -55.5 | 0.6 | 0 | 0 | 0 | 112.5 | A141 V145 E146 D147 | A141-N143 PolarHBondContact O-N 3.31Å; A141-N143 VanDerWaalsContact O-N 3.07Å; N143-V145 VanDerWaalsContact C-N 3.27Å; N143-V145 PolarHBondContact O-N 3.34Å; N143-E146 PolarHBondContact O-N 2.84Å; N143-E146 VanDerWaalsContact O-N 3.12Å; N143-D147 VanDerWaalsContact O-CG 3.29Å; N143-D147 PolarHBondContact O-N 3.24Å |
| 144 | K | 94.9 | Very high | 94.3 | Very high | 134 Ų | 134 | 63 Ų | 63 | 58% | 0.583 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.4 | -29.8 | 177.6 | -65 | 179.7 | 178 | 176.1 | 0 | 112.5 | A141 R142 A148 | A141-K144 WeakPolarHBondContact O-CB 3.46Å; A141-K144 PolarHBondContact O-N 2.99Å; R142-K144 VanDerWaalsContact C-N 3.32Å; R142-K144 PolarHBondContact O-N 3.33Å; K144-A148 VanDerWaalsContact O-CB 3.27Å; K144-A148 WeakPolarHBondContact O-CB 3.27Å; K144-A148 PolarHBondContact O-N 2.93Å; K144-A148 VanDerWaalsContact O-N 3.09Å |
| 145 | V | 95.1 | Very high | 94.3 | Very high | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.024 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71 | -41.2 | 173.5 | -170.8 | 0 | 0 | 0 | 0 | 110.3 | D131 M134 I140 R142 N143 A148 F149 L154 | D131-V145 HydrophobicContact CB-CG1 4.48Å; M134-V145 HydrophobicContact CB-CG1 4.2Å; M134-V145 HydrophobicContact CG-CG1 4.33Å; I140-V145 HydrophobicContact CD1-CG2 3.78Å; I140-V145 HydrophobicContact CG1-CG2 3.8Å; R142-V145 WeakPolarHBondContact O-CA 3.47Å; R142-V145 WeakPolarHBondContact O-CB 3.16Å; R142-V145 PolarHBondContact O-N 3.01Å; N143-V145 VanDerWaalsContact C-N 3.27Å; N143-V145 PolarHBondContact O-N 3.34Å; V145-A148 PolarHBondContact O-N 3.35Å; V145-F149 PolarHBondContact O-N 2.8Å; V145-L154 HydrophobicContact CG1-CD1 4.17Å |
| 146 | E | 95.5 | Very high | 94.2 | Very high | 45 Ų | 45 | 60 Ų | 60 | 21% | 0.21 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.7 | -41.3 | 177.9 | -56.2 | -150.3 | 166.6 | 0 | 0 | 111.9 | R142 N143 A148 F149 Y150 K164 | R142-E146 PolarHBondContact O-N 2.86Å; N143-E146 PolarHBondContact O-N 2.84Å; N143-E146 VanDerWaalsContact O-N 3.12Å; E146-A148 VanDerWaalsContact C-N 3.3Å; E146-A148 PolarHBondContact O-N 3.15Å; E146-F149 WeakPolarHBondContact O-CB 3.33Å; E146-F149 PolarHBondContact O-N 2.79Å; E146-F149 VanDerWaalsContact O-N 3.1Å; E146-Y150 HydrophobicContact CB-CE2 4.38Å; E146-Y150 WeakPolarHBondContact O-CD2 3.5Å; E146-Y150 PolarHBondContact O-N 3.42Å; E146-K164 IonicContact OE1-NZ 3.63Å; E146-K164 PolarHBondContact OE1-NZ 3.35Å; E146-K164 IonicContact OE2-NZ 2.7Å; E146-K164 PolarHBondContact OE2-NZ 2.96Å; E146-K164 VanDerWaalsContact OE2-NZ 3.12Å |
| 147 | D | 95.8 | Very high | 94.2 | Very high | 109 Ų | 109 | 60.1 Ų | 60.1 | 58% | 0.583 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -57.2 | -43 | 170.9 | -68.9 | -32.7 | 0 | 0 | 0 | 111.6 | N143 F149 Y150 G151 | N143-D147 VanDerWaalsContact O-CG 3.29Å; N143-D147 PolarHBondContact O-N 3.24Å; D147-F149 VanDerWaalsContact C-N 3.34Å; D147-F149 PolarHBondContact O-N 2.97Å; D147-Y150 PolarHBondContact O-N 2.95Å; D147-G151 PolarHBondContact O-N 2.91Å |
| 148 | A | 95.6 | Very high | 94.1 | Very high | 8 Ų | 8 | 60.3 Ų | 60.3 | 7% | 0.066 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.2 | -30.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K144 V145 E146 N152 K153 L154 L176 | K144-A148 VanDerWaalsContact O-CB 3.27Å; K144-A148 WeakPolarHBondContact O-CB 3.27Å; K144-A148 PolarHBondContact O-N 2.93Å; K144-A148 VanDerWaalsContact O-N 3.09Å; V145-A148 PolarHBondContact O-N 3.35Å; E146-A148 VanDerWaalsContact C-N 3.3Å; E146-A148 PolarHBondContact O-N 3.15Å; A148-N152 PolarHBondContact O-N 3.12Å; A148-K153 HydrophobicContact CB-CB 4.29Å; A148-K153 PolarHBondContact O-N 2.84Å; A148-L154 HydrophobicContact CB-CD2 4.02Å; A148-L154 HydrophobicContact CB-CG 4.04Å; A148-L176 HydrophobicContact CB-CD1 3.6Å |
| 149 | F | 95.8 | Very high | 94.1 | Very high | 43 Ų | 43 | 64.8 Ų | 64.8 | 19% | 0.189 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.6 | -53.2 | 172.5 | 177.9 | -108.4 | 0 | 0 | 0 | 110.9 | V145 E146 D147 G151 N152 L154 L161 K164 | V145-F149 PolarHBondContact O-N 2.8Å; E146-F149 WeakPolarHBondContact O-CB 3.33Å; E146-F149 PolarHBondContact O-N 2.79Å; E146-F149 VanDerWaalsContact O-N 3.1Å; D147-F149 VanDerWaalsContact C-N 3.34Å; D147-F149 PolarHBondContact O-N 2.97Å; F149-G151 VanDerWaalsContact C-N 3.26Å; F149-G151 PolarHBondContact O-N 2.81Å; F149-N152 PolarHBondContact O-N 3.21Å; F149-L154 HydrophobicContact CB-CD1 3.79Å; F149-L154 HydrophobicContact CD2-CD1 4.44Å; F149-L161 HydrophobicContact CD2-CD2 4.09Å; F149-L161 HydrophobicContact CD2-CG 4.44Å; F149-L161 HydrophobicContact CE2-CD2 4.4Å; F149-L161 HydrophobicContact CE2-CG 4.35Å; F149-L161 WeakPolarHBondContact CE2-O 3.37Å; F149-K164 HydrophobicContact CD1-CB 4.43Å; F149-K164 HydrophobicContact CD2-CB 4.27Å; F149-K164 HydrophobicContact CE1-CB 4.47Å; F149-K164 HydrophobicContact CE2-CB 4.31Å; F149-K164 HydrophobicContact CG-CB 4.33Å; F149-K164 HydrophobicContact CZ-CB 4.42Å |
| 150 | Y | 95.4 | Very high | 94.1 | Very high | 158 Ų | 158 | 63.8 Ų | 63.8 | 62% | 0.62 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.2 | -33.6 | 176.7 | -64.6 | -62.8 | 0 | 0 | 0 | 112.2 | E146 D147 N152 | E146-Y150 HydrophobicContact CB-CE2 4.38Å; E146-Y150 WeakPolarHBondContact O-CD2 3.5Å; E146-Y150 PolarHBondContact O-N 3.42Å; D147-Y150 PolarHBondContact O-N 2.95Å; Y150-N152 PolarHBondContact O-N 2.89Å; Y150-N152 PolarHBondContact O-ND2 2.85Å; Y150-N152 VanDerWaalsContact O-ND2 3.12Å |
| 151 | G | 94.4 | Very high | 94.3 | Very high | 45 Ų | 45 | 63.1 Ų | 63.1 | 46% | 0.464 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -1.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | D147 F149 K153 | D147-G151 PolarHBondContact O-N 2.91Å; F149-G151 VanDerWaalsContact C-N 3.26Å; F149-G151 PolarHBondContact O-N 2.81Å; G151-K153 PolarHBondContact O-N 2.87Å |
| 152 | N | 93.8 | Very high | 94.2 | Very high | 102 Ų | 102 | 67 Ų | 67 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 27.6 | -176.5 | -67.5 | -97.4 | 0 | 0 | 0 | 114.2 | A148 F149 Y150 | A148-N152 PolarHBondContact O-N 3.12Å; F149-N152 PolarHBondContact O-N 3.21Å; Y150-N152 PolarHBondContact O-N 2.89Å; Y150-N152 PolarHBondContact O-ND2 2.85Å; Y150-N152 VanDerWaalsContact O-ND2 3.12Å |
| 153 | K | 94.3 | Very high | 94.3 | Very high | 93 Ų | 93 | 68.5 Ų | 68.5 | 40% | 0.404 | 34% | 0.342 | S | S | . | . | trans | -90.2 | -8.6 | -176.6 | -62.5 | -173.1 | 167.8 | -156.1 | 0 | 114.2 | A148 G151 L176 V177 L178 | A148-K153 HydrophobicContact CB-CB 4.29Å; A148-K153 PolarHBondContact O-N 2.84Å; G151-K153 PolarHBondContact O-N 2.87Å; K153-L176 HydrophobicContact CB-CD1 3.95Å; K153-V177 WeakPolarHBondContact CD-O 3.39Å; K153-V177 PolarHBondContact O-N 2.98Å; K153-L178 PolarHBondContact NZ-O 3.49Å | ||
| 154 | L | 95.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 65.4 Ų | 65.4 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 132.1 | -178.9 | -62.3 | 177.8 | 0 | 0 | 0 | 111.9 | Y130 M134 V145 A148 F149 L161 D175 L176 | Y130-L154 HydrophobicContact CE1-CB 4.14Å; Y130-L154 HydrophobicContact CE1-CD1 3.95Å; Y130-L154 HydrophobicContact CE1-CD2 4.11Å; Y130-L154 HydrophobicContact CE1-CG 4.3Å; M134-L154 HydrophobicContact CE-CD2 4.09Å; V145-L154 HydrophobicContact CG1-CD1 4.17Å; A148-L154 HydrophobicContact CB-CD2 4.02Å; A148-L154 HydrophobicContact CB-CG 4.04Å; F149-L154 HydrophobicContact CB-CD1 3.79Å; F149-L154 HydrophobicContact CD2-CD1 4.44Å; L154-L161 HydrophobicContact CB-CB 4.01Å; L154-L161 HydrophobicContact CB-CD2 4.1Å; L154-L161 HydrophobicContact CD1-CD2 4.01Å; L154-L161 WeakPolarHBondContact O-CB 3.07Å; L154-L161 PolarHBondContact O-N 3.38Å; L154-D175 WeakPolarHBondContact CA-O 3.48Å; L154-L176 HydrophobicContact CD2-CB 4.05Å; L154-L176 HydrophobicContact CD2-CD1 3.86Å; L154-L176 HydrophobicContact CD2-CG 4.43Å |
| 155 | W | 94.4 | Very high | 94.1 | Very high | 32 Ų | 32 | 60.9 Ų | 60.9 | 12% | 0.121 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 139.7 | -179.3 | -59.2 | 72.8 | 0 | 0 | 0 | 111.1 | Y130 Q159 K160 D175 F225 | Y130-W155 PolarHBondContact OH-N 3.46Å; Y130-W155 PolarHBondContact OH-O 2.9Å; W155-Q159 CarbonylContact C-O 3.51Å; W155-Q159 WeakPolarHBondContact CA-O 3.26Å; W155-Q159 VanDerWaalsContact CE3-C 3.49Å; W155-K160 HydrophobicContact CD2-CG 3.83Å; W155-K160 HydrophobicContact CE3-CB 4.49Å; W155-K160 HydrophobicContact CE3-CG 3.75Å; W155-K160 HydrophobicContact CH2-CD 4.19Å; W155-K160 VanDerWaalsContact CH2-CE 3.45Å; W155-K160 HydrophobicContact CH2-CG 3.63Å; W155-K160 HydrophobicContact CZ2-CD 4.14Å; W155-K160 HydrophobicContact CZ2-CG 3.68Å; W155-K160 HydrophobicContact CZ3-CG 3.65Å; W155-D175 HydrophobicContact CB-CB 4.24Å; W155-D175 PolarHBondContact N-O 3.22Å; W155-D175 PolarHBondContact O-N 3.28Å; W155-F225 AromaticContact CD2-CD1 3.73Å; W155-F225 HydrophobicContact CD2-CD1 3.73Å; W155-F225 AromaticContact CD2-CE1 3.95Å; W155-F225 HydrophobicContact CD2-CE1 3.95Å; W155-F225 AromaticContact CE2-CD1 3.58Å; W155-F225 AromaticContact CE2-CE1 3.39Å; W155-F225 AromaticContact CE3-CD1 3.73Å; W155-F225 HydrophobicContact CE3-CD1 3.73Å; W155-F225 HydrophobicContact CE3-CE1 4.39Å; W155-F225 HydrophobicContact CE3-CG 4.5Å; W155-F225 HydrophobicContact CG-CD1 4.5Å; W155-F225 HydrophobicContact CH2-CB 4.22Å; W155-F225 AromaticContact CH2-CD1 3.46Å; W155-F225 HydrophobicContact CH2-CD1 3.46Å; W155-F225 VanDerWaalsContact CH2-CD1 3.46Å; W155-F225 HydrophobicContact CH2-CD2 4.45Å; W155-F225 AromaticContact CH2-CE1 3.89Å; W155-F225 HydrophobicContact CH2-CE1 3.89Å; W155-F225 AromaticContact CH2-CG 3.78Å; W155-F225 HydrophobicContact CH2-CG 3.78Å; W155-F225 AromaticContact CZ2-CD1 3.45Å; W155-F225 HydrophobicContact CZ2-CD1 3.45Å; W155-F225 VanDerWaalsContact CZ2-CD1 3.45Å; W155-F225 AromaticContact CZ2-CE1 3.37Å; W155-F225 HydrophobicContact CZ2-CE1 3.37Å; W155-F225 HydrophobicContact CZ2-CG 4.14Å; W155-F225 AromaticContact CZ2-CZ 3.99Å; W155-F225 HydrophobicContact CZ2-CZ 3.99Å; W155-F225 HydrophobicContact CZ3-CB 4.02Å; W155-F225 AromaticContact CZ3-CD1 3.61Å; W155-F225 HydrophobicContact CZ3-CD1 3.61Å; W155-F225 HydrophobicContact CZ3-CE1 4.38Å; W155-F225 AromaticContact CZ3-CG 3.99Å; W155-F225 HydrophobicContact CZ3-CG 3.99Å; W155-F225 AromaticContact NE1-CE1 3.71Å |
| 156 | L | 94.6 | Very high | 94.1 | Very high | 5 Ų | 5 | 65.2 Ų | 65.2 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 122.6 | 175.7 | -179.5 | 63.1 | 0 | 0 | 0 | 108.9 | Y130 G158 Q159 L161 K166 D172 T173 L174 | Y130-L156 HydrophobicContact CD2-CB 4.31Å; Y130-L156 HydrophobicContact CD2-CD1 4.09Å; Y130-L156 HydrophobicContact CD2-CD2 4.35Å; Y130-L156 HydrophobicContact CD2-CG 4.49Å; Y130-L156 HydrophobicContact CE2-CB 3.85Å; Y130-L156 HydrophobicContact CE2-CD1 3.99Å; Y130-L156 HydrophobicContact CE2-CG 4.38Å; L156-G158 PolarHBondContact O-N 2.88Å; L156-G158 VanDerWaalsContact O-N 3.15Å; L156-Q159 PolarHBondContact N-O 3.23Å; L156-Q159 PolarHBondContact O-N 2.87Å; L156-L161 HydrophobicContact CB-CD1 4.48Å; L156-K166 HydrophobicContact CD2-CD 3.56Å; L156-K166 VanDerWaalsContact CD2-CE 3.41Å; L156-K166 HydrophobicContact CD2-CG 4.24Å; L156-D172 HydrophobicContact CD1-CB 3.95Å; L156-T173 WeakPolarHBondContact CA-O 3.21Å; L156-L174 HydrophobicContact CD1-CG 4.24Å |
| 157 | N | 92.9 | Very high | 94.1 | Very high | 24 Ų | 24 | 69 Ų | 69 | 13% | 0.128 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 32.2 | -178.8 | -60.8 | -20.3 | 0 | 0 | 0 | 113.9 | D172 T173 Q227 R228 | N157-D172 PolarHBondContact ND2-OD1 2.88Å; N157-D172 WeakPolarHBondContact OD1-CA 3.48Å; N157-T173 PolarHBondContact N-O 2.96Å; N157-T173 PolarHBondContact OD1-N 3.13Å; N157-T173 PolarHBondContact OD1-O 3.3Å; N157-Q227 WeakPolarHBondContact O-CA 3.48Å; N157-R228 PolarHBondContact O-N 2.93Å |
| 158 | G | 90.1 | Very high | 94 | Very high | 6 Ų | 6 | 64.1 Ų | 64.1 | 6% | 0.062 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 7.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L156 | L156-G158 PolarHBondContact O-N 2.88Å; L156-G158 VanDerWaalsContact O-N 3.15Å |
| 159 | Q | 92.3 | Very high | 94 | Very high | 95 Ų | 95 | 70.2 Ų | 70.2 | 44% | 0.444 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 143.3 | 173.4 | -62.1 | -175.7 | -17.7 | 0 | 0 | 111.4 | W155 L156 Q227 | W155-Q159 CarbonylContact C-O 3.51Å; W155-Q159 WeakPolarHBondContact CA-O 3.26Å; W155-Q159 VanDerWaalsContact CE3-C 3.49Å; L156-Q159 PolarHBondContact N-O 3.23Å; L156-Q159 PolarHBondContact O-N 2.87Å; Q159-Q227 HydrophobicContact CG-CG 4.41Å; Q159-Q227 VanDerWaalsContact NE2-CD 3.26Å |
| 160 | K | 93.4 | Very high | 93.9 | Very high | 115 Ų | 115 | 70.1 Ų | 70.1 | 50% | 0.5 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 137.5 | 176.1 | -69.1 | -170.8 | 174.3 | -172.6 | 0 | 111.5 | W155 V162 | W155-K160 HydrophobicContact CD2-CG 3.83Å; W155-K160 HydrophobicContact CE3-CB 4.49Å; W155-K160 HydrophobicContact CE3-CG 3.75Å; W155-K160 HydrophobicContact CH2-CD 4.19Å; W155-K160 VanDerWaalsContact CH2-CE 3.45Å; W155-K160 HydrophobicContact CH2-CG 3.63Å; W155-K160 HydrophobicContact CZ2-CD 4.14Å; W155-K160 HydrophobicContact CZ2-CG 3.68Å; W155-K160 HydrophobicContact CZ3-CG 3.65Å; K160-V162 PolarHBondContact O-N 3.28Å |
| 161 | L | 94.6 | Very high | 93.7 | Very high | 15 Ų | 15 | 63.5 Ų | 63.5 | 8% | 0.079 | 33% | 0.329 | C | S | . | . | trans | -75.2 | 109.9 | -178.6 | -173.7 | 69.9 | 0 | 0 | 0 | 111.4 | Y130 F149 L154 L156 K163 K166 | Y130-L161 HydrophobicContact CD1-CD2 3.42Å; Y130-L161 VanDerWaalsContact CD1-CD2 3.42Å; Y130-L161 HydrophobicContact CD2-CD1 3.93Å; Y130-L161 HydrophobicContact CD2-CD2 4.18Å; Y130-L161 HydrophobicContact CE1-CD2 3.6Å; Y130-L161 HydrophobicContact CE2-CD1 4.22Å; Y130-L161 HydrophobicContact CE2-CD2 4.29Å; Y130-L161 HydrophobicContact CG-CD1 4.13Å; Y130-L161 HydrophobicContact CG-CD2 3.75Å; F149-L161 HydrophobicContact CD2-CD2 4.09Å; F149-L161 HydrophobicContact CD2-CG 4.44Å; F149-L161 HydrophobicContact CE2-CD2 4.4Å; F149-L161 HydrophobicContact CE2-CG 4.35Å; F149-L161 WeakPolarHBondContact CE2-O 3.37Å; L154-L161 HydrophobicContact CB-CB 4.01Å; L154-L161 HydrophobicContact CB-CD2 4.1Å; L154-L161 HydrophobicContact CD1-CD2 4.01Å; L154-L161 WeakPolarHBondContact O-CB 3.07Å; L154-L161 PolarHBondContact O-N 3.38Å; L156-L161 HydrophobicContact CB-CD1 4.48Å; L161-K163 WeakPolarHBondContact CD1-O 3.48Å; L161-K166 HydrophobicContact CD1-CB 4.19Å; L161-K166 HydrophobicContact CD1-CD 4.44Å | ||
| 162 | V | 92.3 | Very high | 93.7 | Very high | 140 Ų | 140 | 62 Ų | 62 | 85% | 0.848 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -80.5 | -25.5 | -179.8 | -177.8 | 0 | 0 | 0 | 0 | 113.2 | K160 | K160-V162 PolarHBondContact O-N 3.28Š|
| 163 | K | 94.6 | Very high | 93.7 | Very high | 138 Ų | 138 | 57.5 Ų | 57.5 | 60% | 0.6 | 29% | 0.287 | S | S | * | . | trans | -140.5 | 123 | -175.9 | -178 | -178.6 | 179.6 | -177.2 | 0 | 110.7 | L161 S165 K166 | L161-K163 WeakPolarHBondContact CD1-O 3.48Å; K163-S165 PolarHBondContact O-N 2.91Å; K163-K166 PolarHBondContact O-N 2.91Å | ||
| 164 | K | 92.7 | Very high | 93.7 | Very high | 57 Ų | 57 | 53.1 Ų | 53.1 | 25% | 0.248 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -44.9 | -179.8 | 72.9 | 177.3 | -174.2 | 173.5 | 0 | 113.2 | E146 F149 K166 | E146-K164 IonicContact OE1-NZ 3.63Å; E146-K164 PolarHBondContact OE1-NZ 3.35Å; E146-K164 IonicContact OE2-NZ 2.7Å; E146-K164 PolarHBondContact OE2-NZ 2.96Å; E146-K164 VanDerWaalsContact OE2-NZ 3.12Å; F149-K164 HydrophobicContact CD1-CB 4.43Å; F149-K164 HydrophobicContact CD2-CB 4.27Å; F149-K164 HydrophobicContact CE1-CB 4.47Å; F149-K164 HydrophobicContact CE2-CB 4.31Å; F149-K164 HydrophobicContact CG-CB 4.33Å; F149-K164 HydrophobicContact CZ-CB 4.42Å; K164-K166 PolarHBondContact O-N 3.4Å |
| 165 | S | 93.2 | Very high | 93.7 | Very high | 39 Ų | 39 | 53 Ų | 53 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 46.6 | 177.6 | -35.8 | 0 | 0 | 0 | 0 | 112.7 | R129 K163 | R129-S165 PolarHBondContact NH2-OG 2.89Å; K163-S165 PolarHBondContact O-N 2.91Å |
| 166 | K | 95.4 | Very high | 93.7 | Very high | 96 Ų | 96 | 52.1 Ų | 52.1 | 42% | 0.417 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 137 | 167 | -177.7 | 167.9 | 172.4 | -176.1 | 0 | 108.7 | Y130 L156 L161 K163 K164 | Y130-K166 PolarHBondContact N-O 3.48Å; L156-K166 HydrophobicContact CD2-CD 3.56Å; L156-K166 VanDerWaalsContact CD2-CE 3.41Å; L156-K166 HydrophobicContact CD2-CG 4.24Å; L161-K166 HydrophobicContact CD1-CB 4.19Å; L161-K166 HydrophobicContact CD1-CD 4.44Å; K163-K166 PolarHBondContact O-N 2.91Å; K164-K166 PolarHBondContact O-N 3.4Å |
| 167 | L | 95.3 | Very high | 93.7 | Very high | 124 Ų | 124 | 52.2 Ų | 52.2 | 65% | 0.649 | 27% | 0.266 | S | S | * | . | B | Isolated β-bridge | trans | -74.9 | 136.7 | 173.3 | -64.7 | 175.8 | 0 | 0 | 0 | 110 | F128 R129 | F128-L167 WeakPolarHBondContact O-CA 3.26Å; R129-L167 HydrophobicContact CG-CD2 4.42Å |
| 168 | V | 94.6 | Very high | 93.6 | Very high | 7 Ų | 7 | 54.9 Ų | 54.9 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -99.9 | 141.2 | 178.9 | -173.7 | 0 | 0 | 0 | 0 | 108.3 | F128 Y130 I133 D172 L174 F194 | F128-V168 PolarHBondContact O-N 2.86Å; Y130-V168 HydrophobicContact CD2-CG2 4.32Å; I133-V168 HydrophobicContact CG1-CB 4.48Å; I133-V168 HydrophobicContact CG1-CG2 4.3Å; V168-D172 HydrophobicContact CG1-CB 3.74Å; V168-L174 HydrophobicContact CG1-CD1 3.89Å; V168-L174 HydrophobicContact CG1-CG 4.48Å; V168-L174 HydrophobicContact CG2-CD2 4.19Å; V168-F194 HydrophobicContact CG1-CB 4.29Å; V168-F194 HydrophobicContact CG1-CD1 4Å |
| 169 | K | 94.1 | Very high | 93.6 | Very high | 136 Ų | 136 | 59.2 Ų | 59.2 | 59% | 0.591 | 30% | 0.301 | S | S | * | . | trans | -108.3 | 157.7 | 173.5 | -67.4 | -170.8 | 173.4 | -167.3 | 0 | 111.8 | G171 D172 F194 | K169-G171 PolarHBondContact O-N 2.96Å; K169-D172 PolarHBondContact N-OD2 3.41Å; K169-D172 VanDerWaalsContact O-CB 3.27Å; K169-D172 WeakPolarHBondContact O-CB 3.4Å; K169-D172 PolarHBondContact O-N 3.5Å; K169-F194 VanDerWaalsContact C-CD1 3.42Å; K169-F194 WeakPolarHBondContact O-CD1 3.27Å | ||
| 170 | V | 93.3 | Very high | 93.4 | Very high | 40 Ų | 40 | 59.5 Ų | 59.5 | 24% | 0.242 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 130.2 | 164.7 | 174.5 | 0 | 0 | 0 | 0 | 109.2 | F194 K195 | V170-F194 HydrophobicContact CG2-CD1 4.26Å; V170-F194 HydrophobicContact CG2-CE1 3.84Å; V170-F194 HydrophobicContact CG2-CE2 4.12Å; V170-F194 HydrophobicContact CG2-CZ 3.75Å; V170-K195 VanDerWaalsContact CG1-O 3.26Å; V170-K195 WeakPolarHBondContact CG1-O 3.42Å |
| 171 | G | 92.3 | Very high | 93.2 | Very high | 20 Ų | 20 | 56.2 Ų | 56.2 | 21% | 0.206 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.5 | -13.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | K169 F194 | K169-G171 PolarHBondContact O-N 2.96Å; G171-F194 PolarHBondContact N-O 3.1Å |
| 172 | D | 94.1 | Very high | 92.8 | Very high | 12 Ų | 12 | 64.2 Ų | 64.2 | 6% | 0.064 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 141.5 | 178.6 | -78.1 | -19.8 | 0 | 0 | 0 | 112.6 | L156 N157 V168 K169 I193 F194 C230 | L156-D172 HydrophobicContact CD1-CB 3.95Å; N157-D172 PolarHBondContact ND2-OD1 2.88Å; N157-D172 WeakPolarHBondContact OD1-CA 3.48Å; V168-D172 HydrophobicContact CG1-CB 3.74Å; K169-D172 PolarHBondContact N-OD2 3.41Å; K169-D172 VanDerWaalsContact O-CB 3.27Å; K169-D172 WeakPolarHBondContact O-CB 3.4Å; K169-D172 PolarHBondContact O-N 3.5Å; D172-I193 WeakPolarHBondContact O-CA 3.48Å; D172-F194 PolarHBondContact O-N 3.22Å; D172-F194 VanDerWaalsContact O-N 3.15Å; D172-C230 PolarHBondContact OD1-SG 3.47Å; D172-C230 VanDerWaalsContact OD1-SG 3.33Å |
| 173 | T | 93.8 | Very high | 92.3 | Very high | 9 Ų | 9 | 67 Ų | 67 | 6% | 0.055 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 117 | 173.5 | -55.8 | 0 | 0 | 0 | 0 | 110 | L156 N157 R191 I193 | L156-T173 WeakPolarHBondContact CA-O 3.21Å; N157-T173 PolarHBondContact N-O 2.96Å; N157-T173 PolarHBondContact OD1-N 3.13Å; N157-T173 PolarHBondContact OD1-O 3.3Å; T173-R191 HydrophobicContact CG2-CG 4.01Å; T173-R191 VanDerWaalsContact CG2-NE 3.28Å; T173-I193 HydrophobicContact CG2-CG1 4.11Å |
| 174 | L | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.2 | 173.3 | -50.8 | 76.5 | 0 | 0 | 0 | 108.8 | Y130 I133 M134 L156 V168 V192 | Y130-L174 HydrophobicContact CD1-CD2 4.36Å; Y130-L174 HydrophobicContact CD2-CD2 3.67Å; Y130-L174 HydrophobicContact CD2-CG 3.94Å; Y130-L174 HydrophobicContact CE1-CD2 4.37Å; Y130-L174 HydrophobicContact CE2-CB 3.75Å; Y130-L174 HydrophobicContact CE2-CD2 3.73Å; Y130-L174 HydrophobicContact CE2-CG 3.66Å; Y130-L174 HydrophobicContact CG-CD2 4.01Å; I133-L174 HydrophobicContact CB-CD2 4.11Å; I133-L174 HydrophobicContact CG2-CD1 4.26Å; I133-L174 HydrophobicContact CG2-CD2 3.75Å; M134-L174 HydrophobicContact CE-CB 3.63Å; M134-L174 HydrophobicContact CE-CD2 4.48Å; M134-L174 HydrophobicContact SD-CB 4.42Å; L156-L174 HydrophobicContact CD1-CG 4.24Å; V168-L174 HydrophobicContact CG1-CD1 3.89Å; V168-L174 HydrophobicContact CG1-CG 4.48Å; V168-L174 HydrophobicContact CG2-CD2 4.19Å; L174-V192 HydrophobicContact CB-CB 4.37Å; L174-V192 HydrophobicContact CD1-CB 4.47Å; L174-V192 PolarHBondContact N-O 3.09Å; L174-V192 PolarHBondContact O-N 2.89Å |
| 175 | D | 94.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 142.3 | -179.7 | -66.1 | -39 | 0 | 0 | 0 | 111.2 | Y130 L154 W155 L189 L190 R191 | Y130-D175 PolarHBondContact OH-O 2.81Å; L154-D175 WeakPolarHBondContact CA-O 3.48Å; W155-D175 HydrophobicContact CB-CB 4.24Å; W155-D175 PolarHBondContact N-O 3.22Å; W155-D175 PolarHBondContact O-N 3.28Å; D175-L189 HydrophobicContact CB-CD1 4.1Å; D175-L189 WeakPolarHBondContact OD1-CD1 3.12Å; D175-L190 WeakPolarHBondContact CA-O 3.23Å; D175-R191 VanDerWaalsContact CG-NH2 3.26Å; D175-R191 WeakPolarHBondContact OD1-CB 3.4Å; D175-R191 VanDerWaalsContact OD1-CG 3.27Å; D175-R191 WeakPolarHBondContact OD1-CG 3.45Å; D175-R191 IonicContact OD1-CZ 3.25Å; D175-R191 VanDerWaalsContact OD1-CZ 3.25Å; D175-R191 IonicContact OD1-NE 2.67Å; D175-R191 PolarHBondContact OD1-NE 3.07Å; D175-R191 IonicContact OD1-NH2 3.15Å; D175-R191 PolarHBondContact OD1-NH2 2.84Å; D175-R191 VanDerWaalsContact OD1-NH2 3.15Å; D175-R191 IonicContact OD2-CZ 3.58Å; D175-R191 IonicContact OD2-NE 3.59Å; D175-R191 IonicContact OD2-NH2 2.73Å; D175-R191 PolarHBondContact OD2-NH2 3.09Å |
| 176 | L | 94.6 | Very high | 91.2 | Very high | 13 Ų | 13 | 66.2 Ų | 66.2 | 7% | 0.068 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 113.1 | 171.2 | 164.4 | 58.6 | 0 | 0 | 0 | 108.7 | M134 L138 I140 A148 K153 L154 L178 L189 L190 | M134-L176 HydrophobicContact CE-CB 4.18Å; L138-L176 HydrophobicContact CD1-CB 4.07Å; L138-L176 HydrophobicContact CD1-CD2 3.84Å; I140-L176 HydrophobicContact CD1-CD2 3.89Å; A148-L176 HydrophobicContact CB-CD1 3.6Å; K153-L176 HydrophobicContact CB-CD1 3.95Å; L154-L176 HydrophobicContact CD2-CB 4.05Å; L154-L176 HydrophobicContact CD2-CD1 3.86Å; L154-L176 HydrophobicContact CD2-CG 4.43Å; L176-L178 PolarHBondContact O-N 2.86Å; L176-L189 WeakPolarHBondContact O-CA 3.17Å; L176-L190 HydrophobicContact CB-CB 4.16Å; L176-L190 HydrophobicContact CD2-CD1 3.82Å; L176-L190 HydrophobicContact CG-CD1 4.18Å; L176-L190 PolarHBondContact N-O 3.38Å; L176-L190 PolarHBondContact O-N 2.89Å |
| 177 | V | 93.7 | Very high | 91 | Very high | 6 Ų | 6 | 61.6 Ų | 61.6 | 4% | 0.036 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 120.7 | 176 | 176.1 | 0 | 0 | 0 | 0 | 109.8 | K153 E180 V187 F225 | K153-V177 WeakPolarHBondContact CD-O 3.39Å; K153-V177 PolarHBondContact O-N 2.98Å; V177-E180 HydrophobicContact CG1-CG 3.76Å; V177-V187 HydrophobicContact CG1-CG1 3.75Å; V177-V187 HydrophobicContact CG2-CG1 4.18Å; V177-F225 HydrophobicContact CG2-CE1 3.86Å; V177-F225 HydrophobicContact CG2-CZ 4.14Å |
| 178 | L | 91.3 | Very high | 90.8 | Very high | 81 Ų | 81 | 56.5 Ų | 56.5 | 42% | 0.424 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -58.7 | 172.5 | -71.8 | 177.6 | 0 | 0 | 0 | 110.7 | K153 L176 T188 L190 | K153-L178 PolarHBondContact NZ-O 3.49Å; L176-L178 PolarHBondContact O-N 2.86Å; L178-T188 WeakPolarHBondContact CB-O 3.43Å; L178-T188 PolarHBondContact N-O 2.7Å; L178-L190 HydrophobicContact CD1-CD1 3.76Å; L178-L190 HydrophobicContact CD1-CG 3.96Å; L178-L190 HydrophobicContact CD2-CD1 3.61Å; L178-L190 HydrophobicContact CG-CD1 3.71Å; L178-L190 HydrophobicContact CG-CG 4.19Å |
| 179 | L | 89.7 | Confident | 90.7 | Very high | 97 Ų | 97 | 56.4 Ų | 56.4 | 51% | 0.508 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 137.3 | -170.8 | -177.2 | 63.3 | 0 | 0 | 0 | 110.6 | N181 V187 T188 | L179-N181 WeakPolarHBondContact CD2-OD1 3.29Å; L179-V187 WeakPolarHBondContact O-CA 3.49Å; L179-T188 PolarHBondContact N-O 3.14Å; L179-T188 PolarHBondContact O-N 2.7Å |
| 180 | E | 88.6 | Confident | 90.7 | Very high | 100 Ų | 100 | 50.9 Ų | 50.9 | 47% | 0.467 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 108 | 172.3 | -66.2 | -178.3 | -171.6 | 0 | 0 | 109.1 | V177 K182 V187 | V177-E180 HydrophobicContact CG1-CG 3.76Å; E180-K182 PolarHBondContact O-N 3Å; E180-V187 HydrophobicContact CG-CG1 4.31Å; E180-V187 HydrophobicContact CG-CG2 4.42Å |
| 181 | N | 89.8 | Confident | 90.8 | Very high | 47 Ų | 47 | 49.3 Ų | 49.3 | 25% | 0.251 | 25% | 0.254 | S | S | . | . | trans | -78.6 | 121 | 176.7 | -62.6 | -42.8 | 0 | 0 | 0 | 109 | L179 T184 T186 K221 | L179-N181 WeakPolarHBondContact CD2-OD1 3.29Å; N181-T184 WeakPolarHBondContact CB-OG1 3.33Å; N181-T186 WeakPolarHBondContact CB-O 3.43Å; N181-T186 PolarHBondContact N-O 3.14Å; N181-T186 PolarHBondContact ND2-OG1 3.05Å; N181-K221 VanDerWaalsContact O-CE 3.24Å; N181-K221 WeakPolarHBondContact O-CE 3.49Å; N181-K221 PolarHBondContact O-NZ 2.93Å | ||
| 182 | K | 85.7 | Confident | 90.9 | Very high | 183 Ų | 183 | 48.4 Ų | 48.4 | 80% | 0.796 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -82.3 | -19.1 | -179.5 | -68.8 | -176.4 | -179.6 | 177.4 | 0 | 113.5 | E180 | E180-K182 PolarHBondContact O-N 3Š|
| 183 | E | 82.6 | Confident | 90.9 | Very high | 197 Ų | 197 | 49.6 Ų | 49.6 | 92% | 0.921 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -92.2 | -38.3 | -173.7 | -64.8 | 166.5 | -164.6 | 0 | 0 | 112.4 | ||
| 184 | T | 81.4 | Confident | 90.9 | Very high | 91 Ų | 91 | 49.3 Ų | 49.3 | 56% | 0.558 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -99.7 | -3.1 | -178.1 | 55.5 | 0 | 0 | 0 | 0 | 114 | N181 T186 | N181-T184 WeakPolarHBondContact CB-OG1 3.33Å; T184-T186 PolarHBondContact O-N 3.45Å; T184-T186 PolarHBondContact OG1-N 2.95Å; T184-T186 PolarHBondContact OG1-OG1 2.76Å |
| 185 | D | 85.3 | Confident | 90.8 | Very high | 94 Ų | 94 | 53.5 Ų | 53.5 | 50% | 0.503 | 27% | 0.267 | S | S | . | . | trans | 51.6 | 20.1 | -168.8 | -87.4 | -23.4 | 0 | 0 | 0 | 116 | P220 K221 | D185-P220 WeakPolarHBondContact O-CA 3.29Å; D185-K221 HydrophobicContact CB-CD 4.26Å; D185-K221 WeakPolarHBondContact O-CG 3.37Å; D185-K221 PolarHBondContact O-N 2.77Å; D185-K221 WeakPolarHBondContact OD1-CD 3.36Å; D185-K221 WeakPolarHBondContact OD1-CE 3.47Å; D185-K221 IonicContact OD1-NZ 2.67Å; D185-K221 PolarHBondContact OD1-NZ 2.8Å | ||
| 186 | T | 89.9 | Confident | 90.7 | Very high | 33 Ų | 33 | 57.9 Ų | 57.9 | 20% | 0.202 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 152.6 | 171.3 | 61.1 | 0 | 0 | 0 | 0 | 112.7 | N181 T184 L219 | N181-T186 WeakPolarHBondContact CB-O 3.43Å; N181-T186 PolarHBondContact N-O 3.14Å; N181-T186 PolarHBondContact ND2-OG1 3.05Å; T184-T186 PolarHBondContact O-N 3.45Å; T184-T186 PolarHBondContact OG1-N 2.95Å; T184-T186 PolarHBondContact OG1-OG1 2.76Å; T186-L219 CarbonylContact C-O 3.59Å; T186-L219 WeakPolarHBondContact CA-O 3.07Å |
| 187 | V | 91.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 127.5 | 171.4 | -175.5 | 0 | 0 | 0 | 0 | 107.2 | V177 L179 E180 L189 E218 L219 K221 A224 F225 | V177-V187 HydrophobicContact CG1-CG1 3.75Å; V177-V187 HydrophobicContact CG2-CG1 4.18Å; L179-V187 WeakPolarHBondContact O-CA 3.49Å; E180-V187 HydrophobicContact CG-CG1 4.31Å; E180-V187 HydrophobicContact CG-CG2 4.42Å; V187-L189 HydrophobicContact CB-CD2 4.43Å; V187-L189 HydrophobicContact CG1-CD2 4.28Å; V187-E218 WeakPolarHBondContact O-CA 3.47Å; V187-L219 PolarHBondContact N-O 3.04Å; V187-L219 PolarHBondContact O-N 3.04Å; V187-K221 HydrophobicContact CG2-CB 4.33Å; V187-K221 HydrophobicContact CG2-CG 3.42Å; V187-K221 VanDerWaalsContact CG2-CG 3.42Å; V187-A224 HydrophobicContact CB-CB 4.33Å; V187-A224 HydrophobicContact CG2-CB 4.39Å; V187-F225 HydrophobicContact CG1-CZ 4.38Å; V187-F225 HydrophobicContact CG2-CE2 4.14Å; V187-F225 HydrophobicContact CG2-CZ 4.18Å |
| 188 | T | 91.9 | Very high | 90.1 | Very high | 17 Ų | 17 | 66 Ų | 66 | 10% | 0.104 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 116.5 | 170.3 | -43.8 | 0 | 0 | 0 | 0 | 107.5 | L178 L179 E218 | L178-T188 WeakPolarHBondContact CB-O 3.43Å; L178-T188 PolarHBondContact N-O 2.7Å; L179-T188 PolarHBondContact N-O 3.14Å; L179-T188 PolarHBondContact O-N 2.7Å; T188-E218 HydrophobicContact CG2-CG 4.27Å; T188-E218 PolarHBondContact OG1-OE1 3Å |
| 189 | L | 92.9 | Very high | 89.8 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 150.5 | -178.7 | 59.6 | 138.8 | 0 | 0 | 0 | 112.4 | D175 L176 V187 R191 L217 L219 A224 | D175-L189 HydrophobicContact CB-CD1 4.1Å; D175-L189 WeakPolarHBondContact OD1-CD1 3.12Å; L176-L189 WeakPolarHBondContact O-CA 3.17Å; V187-L189 HydrophobicContact CB-CD2 4.43Å; V187-L189 HydrophobicContact CG1-CD2 4.28Å; L189-R191 HydrophobicContact CD1-CB 4.35Å; L189-L217 HydrophobicContact CD1-CD2 4.5Å; L189-L217 VanDerWaalsContact CD2-O 3.32Å; L189-L217 WeakPolarHBondContact CD2-O 3.32Å; L189-L217 HydrophobicContact CG-CB 4.37Å; L189-L217 WeakPolarHBondContact CG-O 3.37Å; L189-L217 PolarHBondContact N-O 3.19Å; L189-L217 WeakPolarHBondContact O-CB 3.39Å; L189-L217 PolarHBondContact O-N 2.87Å; L189-L219 HydrophobicContact CD2-CB 4.19Å; L189-L219 HydrophobicContact CD2-CD1 4.25Å; L189-L219 HydrophobicContact CD2-CG 4.37Å; L189-A224 HydrophobicContact CD2-CB 4.23Å |
| 190 | L | 93.7 | Very high | 89.7 | Confident | 20 Ų | 20 | 65.6 Ų | 65.6 | 11% | 0.105 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 132.3 | 162.6 | -74.6 | 150.3 | 0 | 0 | 0 | 107.8 | L138 D175 L176 L178 K215 | L138-L190 HydrophobicContact CD1-CB 3.59Å; L138-L190 HydrophobicContact CD1-CD1 4.11Å; L138-L190 HydrophobicContact CD1-CD2 4.43Å; L138-L190 HydrophobicContact CD1-CG 4.26Å; L138-L190 HydrophobicContact CD2-CB 3.89Å; L138-L190 HydrophobicContact CD2-CD2 3.93Å; L138-L190 HydrophobicContact CD2-CG 4.48Å; L138-L190 HydrophobicContact CG-CB 4.41Å; D175-L190 WeakPolarHBondContact CA-O 3.23Å; L176-L190 HydrophobicContact CB-CB 4.16Å; L176-L190 HydrophobicContact CD2-CD1 3.82Å; L176-L190 HydrophobicContact CG-CD1 4.18Å; L176-L190 PolarHBondContact N-O 3.38Å; L176-L190 PolarHBondContact O-N 2.89Å; L178-L190 HydrophobicContact CD1-CD1 3.76Å; L178-L190 HydrophobicContact CD1-CG 3.96Å; L178-L190 HydrophobicContact CD2-CD1 3.61Å; L178-L190 HydrophobicContact CG-CD1 3.71Å; L178-L190 HydrophobicContact CG-CG 4.19Å; L190-K215 WeakPolarHBondContact CD2-O 2.99Å |
| 191 | R | 93.9 | Very high | 89.6 | Confident | 8 Ų | 8 | 62 Ų | 62 | 3% | 0.03 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.2 | 179.3 | 174.5 | 166.7 | -77.3 | 140.9 | 4.6 | 111.4 | T173 D175 L189 I193 R213 W214 L217 | T173-R191 HydrophobicContact CG2-CG 4.01Å; T173-R191 VanDerWaalsContact CG2-NE 3.28Å; D175-R191 VanDerWaalsContact CG-NH2 3.26Å; D175-R191 WeakPolarHBondContact OD1-CB 3.4Å; D175-R191 VanDerWaalsContact OD1-CG 3.27Å; D175-R191 WeakPolarHBondContact OD1-CG 3.45Å; D175-R191 IonicContact OD1-CZ 3.25Å; D175-R191 VanDerWaalsContact OD1-CZ 3.25Å; D175-R191 IonicContact OD1-NE 2.67Å; D175-R191 PolarHBondContact OD1-NE 3.07Å; D175-R191 IonicContact OD1-NH2 3.15Å; D175-R191 PolarHBondContact OD1-NH2 2.84Å; D175-R191 VanDerWaalsContact OD1-NH2 3.15Å; D175-R191 IonicContact OD2-CZ 3.58Å; D175-R191 IonicContact OD2-NE 3.59Å; D175-R191 IonicContact OD2-NH2 2.73Å; D175-R191 PolarHBondContact OD2-NH2 3.09Å; L189-R191 HydrophobicContact CD1-CB 4.35Å; R191-I193 HydrophobicContact CG-CG1 4.28Å; R191-R213 WeakPolarHBondContact O-CA 3.39Å; R191-W214 HydrophobicContact CB-CB 4.27Å; R191-W214 HydrophobicContact CB-CD2 4.42Å; R191-W214 HydrophobicContact CB-CE3 3.87Å; R191-W214 HydrophobicContact CG-CD2 4.47Å; R191-W214 HydrophobicContact CG-CE3 3.58Å; R191-W214 HydrophobicContact CG-CZ3 3.89Å; R191-W214 PolarHBondContact N-O 2.69Å; R191-W214 PolarHBondContact O-N 2.67Å; R191-L217 HydrophobicContact CB-CD2 4.18Å |
| 192 | V | 94.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 134.2 | 168.1 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | M134 L138 L174 L211 R212 | M134-V192 HydrophobicContact SD-CG2 4.05Å; L138-V192 HydrophobicContact CD2-CG2 3.39Å; L138-V192 HydrophobicContact CG-CG2 3.62Å; L174-V192 HydrophobicContact CB-CB 4.37Å; L174-V192 HydrophobicContact CD1-CB 4.47Å; L174-V192 PolarHBondContact N-O 3.09Å; L174-V192 PolarHBondContact O-N 2.89Å; V192-L211 HydrophobicContact CG1-CB 3.93Å; V192-L211 HydrophobicContact CG1-CD1 4.34Å; V192-L211 HydrophobicContact CG1-CD2 4.27Å; V192-L211 HydrophobicContact CG1-CG 4.41Å; V192-R212 CarbonylContact C-O 3.46Å; V192-R212 VanDerWaalsContact CA-O 3.29Å; V192-R212 WeakPolarHBondContact CA-O 3.44Å |
| 193 | I | 94.1 | Very high | 88.5 | Confident | 38 Ų | 38 | 66.7 Ų | 66.7 | 20% | 0.195 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 128 | 167.3 | -62 | 176.7 | 0 | 0 | 0 | 108.6 | D172 T173 R191 K195 L211 R212 W214 | D172-I193 WeakPolarHBondContact O-CA 3.48Å; T173-I193 HydrophobicContact CG2-CG1 4.11Å; R191-I193 HydrophobicContact CG-CG1 4.28Å; I193-K195 PolarHBondContact O-N 2.94Å; I193-L211 CarbonylContact O-C 3.55Å; I193-L211 WeakPolarHBondContact O-CA 3.47Å; I193-R212 HydrophobicContact CB-CB 4.35Å; I193-R212 PolarHBondContact N-O 3.01Å; I193-R212 PolarHBondContact O-N 2.92Å; I193-W214 HydrophobicContact CD1-CH2 3.78Å; I193-W214 HydrophobicContact CD1-CZ3 3.68Å; I193-W214 HydrophobicContact CG1-CH2 4.49Å; I193-W214 HydrophobicContact CG1-CZ3 3.91Å |
| 194 | F | 94.8 | Very high | 88.3 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.009 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 108.2 | 175.5 | -178.7 | -160.4 | 0 | 0 | 0 | 109.4 | F128 V168 K169 V170 G171 D172 K196 E197 V209 L211 | F128-F194 AromaticContact CD1-CE1 3.74Å; F128-F194 HydrophobicContact CD1-CE1 3.74Å; F128-F194 AromaticContact CD1-CZ 3.68Å; F128-F194 HydrophobicContact CD1-CZ 3.68Å; F128-F194 HydrophobicContact CE1-CE1 4.18Å; F128-F194 AromaticContact CE1-CZ 3.66Å; F128-F194 HydrophobicContact CE1-CZ 3.66Å; V168-F194 HydrophobicContact CG1-CB 4.29Å; V168-F194 HydrophobicContact CG1-CD1 4Å; K169-F194 VanDerWaalsContact C-CD1 3.42Å; K169-F194 WeakPolarHBondContact O-CD1 3.27Å; V170-F194 HydrophobicContact CG2-CD1 4.26Å; V170-F194 HydrophobicContact CG2-CE1 3.84Å; V170-F194 HydrophobicContact CG2-CE2 4.12Å; V170-F194 HydrophobicContact CG2-CZ 3.75Å; G171-F194 PolarHBondContact N-O 3.1Å; D172-F194 PolarHBondContact O-N 3.22Å; D172-F194 VanDerWaalsContact O-N 3.15Å; F194-K196 WeakPolarHBondContact CE2-O 3.48Å; F194-E197 HydrophobicContact CZ-CB 4.24Å; F194-V209 HydrophobicContact CD2-CB 4.41Å; F194-V209 HydrophobicContact CE2-CB 3.8Å; F194-V209 HydrophobicContact CE2-CG1 3.64Å; F194-V209 HydrophobicContact CZ-CG1 3.94Å; F194-L211 HydrophobicContact CB-CD2 4.1Å; F194-L211 HydrophobicContact CD2-CD2 3.82Å; F194-L211 HydrophobicContact CG-CD2 4.21Å |
| 195 | K | 92.3 | Very high | 88.5 | Confident | 89 Ų | 89 | 60.7 Ų | 60.7 | 39% | 0.387 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -45.1 | -170.8 | -64 | -173.7 | 98.9 | -168.7 | 0 | 114.4 | D120 V170 I193 V210 R212 | D120-K195 WeakPolarHBondContact OD1-CD 3.05Å; D120-K195 IonicContact OD1-NZ 3.69Å; D120-K195 IonicContact OD2-NZ 2.68Å; D120-K195 PolarHBondContact OD2-NZ 2.92Å; V170-K195 VanDerWaalsContact CG1-O 3.26Å; V170-K195 WeakPolarHBondContact CG1-O 3.42Å; I193-K195 PolarHBondContact O-N 2.94Å; K195-V210 HydrophobicContact CD-CG1 4.38Å; K195-V210 PolarHBondContact N-O 2.7Å; K195-R212 HydrophobicContact CD-CB 4.03Å; K195-R212 HydrophobicContact CG-CB 4.08Å; K195-R212 VanDerWaalsContact NZ-NH2 3.18Å |
| 196 | K | 91.9 | Very high | 88.8 | Confident | 96 Ų | 96 | 59 Ų | 59 | 42% | 0.417 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 145 | -177.3 | 58.3 | 175.6 | -174.1 | 178.3 | 0 | 110.2 | F194 L198 V210 | F194-K196 WeakPolarHBondContact CE2-O 3.48Å; K196-L198 HydrophobicContact CD-CD2 3.92Å; K196-L198 HydrophobicContact CD-CG 4.43Å; K196-V210 HydrophobicContact CD-CB 4.49Å; K196-V210 HydrophobicContact CD-CG2 4.23Å; K196-V210 HydrophobicContact CG-CB 3.77Å; K196-V210 HydrophobicContact CG-CG2 3.88Å; K196-V210 PolarHBondContact O-N 2.62Å |
| 197 | E | 90.5 | Very high | 89 | Confident | 113 Ų | 113 | 61.1 Ų | 61.1 | 53% | 0.528 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 144.7 | 156.8 | 55.3 | -156.1 | -159.9 | 0 | 0 | 109.1 | F128 F194 | F128-E197 HydrophobicContact CE1-CB 4.5Å; F194-E197 HydrophobicContact CZ-CB 4.24Å |
| 198 | L | 86.4 | Confident | 89.1 | Confident | 77 Ų | 77 | 63.8 Ų | 63.8 | 40% | 0.403 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 0.9 | 179.7 | -74.1 | 174.5 | 0 | 0 | 0 | 112.8 | E122 K196 K208 V210 | E122-L198 WeakPolarHBondContact OE1-CD1 3.24Å; K196-L198 HydrophobicContact CD-CD2 3.92Å; K196-L198 HydrophobicContact CD-CG 4.43Å; L198-K208 HydrophobicContact CB-CB 4.07Å; L198-K208 HydrophobicContact CB-CD 4.19Å; L198-K208 HydrophobicContact CB-CG 4.2Å; L198-K208 HydrophobicContact CD1-CD 3.82Å; L198-K208 HydrophobicContact CD1-CG 4.09Å; L198-K208 PolarHBondContact N-O 2.97Å; L198-V210 HydrophobicContact CD1-CG2 3.6Å; L198-V210 HydrophobicContact CG-CG2 4.11Å |
| 199 | G | 85.1 | Confident | 89.2 | Confident | 38 Ų | 38 | 63 Ų | 63 | 39% | 0.392 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 105.9 | -172.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K208 | G199-K208 PolarHBondContact O-N 2.89Å |
| 200 | E | 87.3 | Confident | 89.3 | Confident | 130 Ų | 130 | 63 Ų | 63 | 61% | 0.607 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 158.4 | 177.8 | -71 | 158.9 | -153.5 | 0 | 0 | 111.5 | R206 Y207 | E200-R206 CarbonylContact C-O 3.57Å; E200-Y207 HydrophobicContact CG-CD1 3.84Å; E200-Y207 HydrophobicContact CG-CE1 3.71Å |
| 201 | S | 84.9 | Confident | 89.4 | Confident | 26 Ų | 26 | 62.1 Ų | 62.1 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | trans | -64.9 | 165 | 168.4 | -165.6 | 0 | 0 | 0 | 0 | 110.6 | D203 G204 R206 | S201-D203 WeakPolarHBondContact CB-OD2 3.43Å; S201-D203 PolarHBondContact O-N 3.06Å; S201-D203 PolarHBondContact OG-OD2 3.06Å; S201-G204 PolarHBondContact O-N 3.12Å; S201-R206 WeakPolarHBondContact CB-O 3.21Å; S201-R206 PolarHBondContact N-O 3.3Å | ||
| 202 | K | 75.7 | Confident | 89.4 | Confident | 213 Ų | 213 | 64.1 Ų | 64.1 | 93% | 0.926 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -23 | 173 | -62.9 | 179.2 | -178 | 175.5 | 0 | 112.9 | ||
| 203 | D | 78.1 | Confident | 89.3 | Confident | 114 Ų | 114 | 65.7 Ų | 65.7 | 61% | 0.61 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -4.3 | -176.9 | -25.8 | -85.4 | 0 | 0 | 0 | 112.8 | S201 D205 | S201-D203 WeakPolarHBondContact CB-OD2 3.43Å; S201-D203 PolarHBondContact O-N 3.06Å; S201-D203 PolarHBondContact OG-OD2 3.06Å; D203-D205 PolarHBondContact O-N 3.05Å |
| 204 | G | 77.8 | Confident | 89.2 | Confident | 32 Ų | 32 | 65.7 Ų | 65.7 | 33% | 0.33 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 76.1 | -35.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | S201 R206 | S201-G204 PolarHBondContact O-N 3.12Å; G204-R206 PolarHBondContact O-N 2.83Å |
| 205 | D | 86.7 | Confident | 89 | Confident | 131 Ų | 131 | 71.8 Ų | 71.8 | 70% | 0.701 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -65.7 | -12.5 | -169.1 | -68.1 | -31.5 | 0 | 0 | 0 | 116.7 | D203 | D203-D205 PolarHBondContact O-N 3.05Š|
| 206 | R | 91.5 | Very high | 88.8 | Confident | 57 Ų | 57 | 73.1 Ų | 73.1 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | trans | -139.6 | 136.3 | -172.1 | -47.7 | -178.6 | -168.9 | -163.6 | -2.2 | 111.4 | D95 Y124 E200 S201 G204 | D95-R206 IonicContact OD2-NH2 3.51Å; Y124-R206 HydrophobicContact CD1-CB 4.47Å; E200-R206 CarbonylContact C-O 3.57Å; S201-R206 WeakPolarHBondContact CB-O 3.21Å; S201-R206 PolarHBondContact N-O 3.3Å; G204-R206 PolarHBondContact O-N 2.83Å | ||
| 207 | Y | 92.4 | Very high | 88.7 | Confident | 79 Ų | 79 | 70 Ų | 70 | 31% | 0.31 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 131.7 | 173.7 | -57.1 | -88.3 | 0 | 0 | 0 | 110.3 | Y124 V125 F128 E200 | Y124-Y207 CarbonylContact C-O 3.59Å; Y124-Y207 WeakPolarHBondContact CA-O 3.36Å; V125-Y207 PolarHBondContact N-O 3.07Å; V125-Y207 PolarHBondContact O-N 3.45Å; F128-Y207 HydrophobicContact CE1-CG 4.36Å; F128-Y207 AromaticContact CE2-CD1 3.89Å; F128-Y207 HydrophobicContact CE2-CD1 3.89Å; F128-Y207 HydrophobicContact CE2-CD2 4.17Å; F128-Y207 HydrophobicContact CE2-CE1 4.13Å; F128-Y207 HydrophobicContact CE2-CE2 4.42Å; F128-Y207 AromaticContact CE2-CG 3.91Å; F128-Y207 HydrophobicContact CE2-CG 3.91Å; F128-Y207 AromaticContact CZ-CD1 3.65Å; F128-Y207 HydrophobicContact CZ-CD1 3.65Å; F128-Y207 HydrophobicContact CZ-CD2 4.21Å; F128-Y207 HydrophobicContact CZ-CE1 4.33Å; F128-Y207 AromaticContact CZ-CG 3.57Å; F128-Y207 HydrophobicContact CZ-CG 3.57Å; E200-Y207 HydrophobicContact CG-CD1 3.84Å; E200-Y207 HydrophobicContact CG-CE1 3.71Å |
| 208 | K | 93.8 | Very high | 88.6 | Confident | 55 Ų | 55 | 70.3 Ų | 70.3 | 24% | 0.239 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 122.4 | 170.8 | -165.5 | -177.5 | 179 | -168.6 | 0 | 109.1 | E122 Y124 L198 G199 | E122-K208 WeakPolarHBondContact OE2-CE 3.35Å; E122-K208 IonicContact OE2-NZ 3.58Å; E122-K208 PolarHBondContact OE2-NZ 2.88Å; Y124-K208 HydrophobicContact CD1-CB 3.88Å; Y124-K208 HydrophobicContact CD1-CG 4.16Å; Y124-K208 HydrophobicContact CE1-CB 3.64Å; Y124-K208 HydrophobicContact CE1-CD 4.01Å; Y124-K208 HydrophobicContact CE1-CG 3.75Å; L198-K208 HydrophobicContact CB-CB 4.07Å; L198-K208 HydrophobicContact CB-CD 4.19Å; L198-K208 HydrophobicContact CB-CG 4.2Å; L198-K208 HydrophobicContact CD1-CD 3.82Å; L198-K208 HydrophobicContact CD1-CG 4.09Å; L198-K208 PolarHBondContact N-O 2.97Å; G199-K208 PolarHBondContact O-N 2.89Å |
| 209 | V | 94.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 151 | -177.4 | -65.2 | 0 | 0 | 0 | 0 | 111.5 | E122 K123 V125 F128 F194 L211 | E122-V209 WeakPolarHBondContact CA-O 3.24Å; K123-V209 PolarHBondContact N-O 3.34Å; K123-V209 WeakPolarHBondContact O-CG2 3.33Å; K123-V209 PolarHBondContact O-N 3.46Å; V125-V209 HydrophobicContact CB-CG2 4.46Å; V125-V209 HydrophobicContact CG1-CG2 3.86Å; V125-V209 HydrophobicContact CG2-CB 4.45Å; V125-V209 HydrophobicContact CG2-CG1 3.78Å; V125-V209 HydrophobicContact CG2-CG2 3.76Å; F128-V209 HydrophobicContact CD1-CG1 4.28Å; F128-V209 HydrophobicContact CE1-CG1 3.66Å; F194-V209 HydrophobicContact CD2-CB 4.41Å; F194-V209 HydrophobicContact CE2-CB 3.8Å; F194-V209 HydrophobicContact CE2-CG1 3.64Å; F194-V209 HydrophobicContact CZ-CG1 3.94Å; V209-L211 HydrophobicContact CG2-CD1 4.31Å; V209-L211 HydrophobicContact CG2-CD2 4.26Å; V209-L211 HydrophobicContact CG2-CG 4.13Å |
| 210 | V | 94.5 | Very high | 89 | Confident | 6 Ų | 6 | 69.4 Ų | 69.4 | 4% | 0.036 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 124.4 | 171.3 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | D120 I121 E122 K195 K196 L198 | D120-V210 HydrophobicContact CB-CG1 4.48Å; I121-V210 WeakPolarHBondContact O-CA 3.43Å; E122-V210 HydrophobicContact CB-CG2 4.35Å; E122-V210 HydrophobicContact CG-CG1 4.49Å; E122-V210 HydrophobicContact CG-CG2 3.74Å; E122-V210 VanDerWaalsContact OE1-CG2 3.24Å; E122-V210 WeakPolarHBondContact OE1-CG2 3.29Å; K195-V210 HydrophobicContact CD-CG1 4.38Å; K195-V210 PolarHBondContact N-O 2.7Å; K196-V210 HydrophobicContact CD-CB 4.49Å; K196-V210 HydrophobicContact CD-CG2 4.23Å; K196-V210 HydrophobicContact CG-CB 3.77Å; K196-V210 HydrophobicContact CG-CG2 3.88Å; K196-V210 PolarHBondContact O-N 2.62Å; L198-V210 HydrophobicContact CD1-CG2 3.6Å; L198-V210 HydrophobicContact CG-CG2 4.11Å |
| 211 | L | 95.1 | Very high | 89 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 124.8 | -173.1 | -56.7 | -179.9 | 0 | 0 | 0 | 108.9 | I121 I133 A136 V192 I193 F194 V209 | I121-L211 PolarHBondContact N-O 3.31Å; I121-L211 PolarHBondContact O-N 2.99Å; I133-L211 HydrophobicContact CG2-CD1 4.3Å; I133-L211 HydrophobicContact CG2-CD2 4.01Å; A136-L211 HydrophobicContact CB-CD1 4.38Å; V192-L211 HydrophobicContact CG1-CB 3.93Å; V192-L211 HydrophobicContact CG1-CD1 4.34Å; V192-L211 HydrophobicContact CG1-CD2 4.27Å; V192-L211 HydrophobicContact CG1-CG 4.41Å; I193-L211 CarbonylContact O-C 3.55Å; I193-L211 WeakPolarHBondContact O-CA 3.47Å; F194-L211 HydrophobicContact CB-CD2 4.1Å; F194-L211 HydrophobicContact CD2-CD2 3.82Å; F194-L211 HydrophobicContact CG-CD2 4.21Å; V209-L211 HydrophobicContact CG2-CD1 4.31Å; V209-L211 HydrophobicContact CG2-CD2 4.26Å; V209-L211 HydrophobicContact CG2-CG 4.13Å |
| 212 | R | 94 | Very high | 89 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 19% | 0.185 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 119.9 | 170.5 | -172.8 | 162.2 | -79.3 | -155.6 | -12.4 | 109.4 | Y118 D120 V192 I193 K195 W214 | Y118-R212 HydrophobicContact CD2-CG 4.26Å; Y118-R212 VanDerWaalsContact CD2-CZ 3.49Å; Y118-R212 HydrophobicContact CG-CG 3.99Å; Y118-R212 VanDerWaalsContact CZ-CZ 3.45Å; Y118-R212 PolarHBondContact OH-NH1 2.83Å; D120-R212 WeakPolarHBondContact OD1-CA 3.27Å; D120-R212 WeakPolarHBondContact OD1-CB 3.49Å; D120-R212 WeakPolarHBondContact OD1-CG 3.5Å; D120-R212 IonicContact OD1-CZ 3.58Å; D120-R212 IonicContact OD1-NE 2.73Å; D120-R212 PolarHBondContact OD1-NE 3.05Å; D120-R212 IonicContact OD1-NH2 3.57Å; D120-R212 IonicContact OD2-CZ 3.49Å; D120-R212 IonicContact OD2-NE 3.42Å; D120-R212 PolarHBondContact OD2-NE 2.76Å; D120-R212 IonicContact OD2-NH2 2.72Å; D120-R212 PolarHBondContact OD2-NH2 2.86Å; V192-R212 CarbonylContact C-O 3.46Å; V192-R212 VanDerWaalsContact CA-O 3.29Å; V192-R212 WeakPolarHBondContact CA-O 3.44Å; I193-R212 HydrophobicContact CB-CB 4.35Å; I193-R212 PolarHBondContact N-O 3.01Å; I193-R212 PolarHBondContact O-N 2.92Å; K195-R212 HydrophobicContact CD-CB 4.03Å; K195-R212 HydrophobicContact CG-CB 4.08Å; K195-R212 VanDerWaalsContact NZ-NH2 3.18Å; R212-W214 HydrophobicContact CB-CH2 4.47Å; R212-W214 HydrophobicContact CB-CZ3 4.15Å; R212-W214 VanDerWaalsContact CD-CH2 3.42Å; R212-W214 HydrophobicContact CG-CE3 4.24Å; R212-W214 HydrophobicContact CG-CH2 3.65Å; R212-W214 HydrophobicContact CG-CZ2 4.29Å; R212-W214 HydrophobicContact CG-CZ3 3.61Å |
| 213 | R | 93.2 | Very high | 89.4 | Confident | 34 Ų | 34 | 66.3 Ų | 66.3 | 13% | 0.128 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 129.6 | -175.4 | -179.4 | -165.8 | -179 | 146.3 | -2.2 | 111.7 | Y118 K119 I121 G137 L138 R191 | Y118-R213 VanDerWaalsContact CA-O 3.26Å; Y118-R213 WeakPolarHBondContact CA-O 3.49Å; K119-R213 PolarHBondContact N-O 2.84Å; K119-R213 VanDerWaalsContact N-O 3.13Å; K119-R213 PolarHBondContact O-N 2.9Å; I121-R213 HydrophobicContact CD1-CB 3.81Å; I121-R213 HydrophobicContact CD1-CG 4.31Å; I121-R213 HydrophobicContact CG1-CB 4.43Å; G137-R213 WeakPolarHBondContact O-CD 3.44Å; G137-R213 WeakPolarHBondContact O-CG 3.07Å; G137-R213 PolarHBondContact O-NH1 3.15Å; L138-R213 VanDerWaalsContact C-CZ 3.48Å; L138-R213 HydrophobicContact CD2-CG 4.16Å; L138-R213 PolarHBondContact O-NH1 3.46Å; L138-R213 VanDerWaalsContact O-NH1 3.14Å; L138-R213 PolarHBondContact O-NH2 3.12Å; R191-R213 WeakPolarHBondContact O-CA 3.39Å |
| 214 | W | 93.6 | Very high | 89.6 | Confident | 37 Ų | 37 | 61 Ų | 61 | 14% | 0.14 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 128 | 159.5 | -67.6 | -97.8 | 0 | 0 | 0 | 109.7 | Y118 R191 I193 R212 L217 | Y118-W214 AromaticContact CD1-CZ2 3.89Å; Y118-W214 HydrophobicContact CD1-CZ2 3.89Å; Y118-W214 HydrophobicContact CG-CZ2 4.34Å; R191-W214 HydrophobicContact CB-CB 4.27Å; R191-W214 HydrophobicContact CB-CD2 4.42Å; R191-W214 HydrophobicContact CB-CE3 3.87Å; R191-W214 HydrophobicContact CG-CD2 4.47Å; R191-W214 HydrophobicContact CG-CE3 3.58Å; R191-W214 HydrophobicContact CG-CZ3 3.89Å; R191-W214 PolarHBondContact N-O 2.69Å; R191-W214 PolarHBondContact O-N 2.67Å; I193-W214 HydrophobicContact CD1-CH2 3.78Å; I193-W214 HydrophobicContact CD1-CZ3 3.68Å; I193-W214 HydrophobicContact CG1-CH2 4.49Å; I193-W214 HydrophobicContact CG1-CZ3 3.91Å; R212-W214 HydrophobicContact CB-CH2 4.47Å; R212-W214 HydrophobicContact CB-CZ3 4.15Å; R212-W214 VanDerWaalsContact CD-CH2 3.42Å; R212-W214 HydrophobicContact CG-CE3 4.24Å; R212-W214 HydrophobicContact CG-CH2 3.65Å; R212-W214 HydrophobicContact CG-CZ2 4.29Å; R212-W214 HydrophobicContact CG-CZ3 3.61Å; W214-L217 HydrophobicContact CB-CB 4.03Å; W214-L217 HydrophobicContact CB-CD2 4.45Å; W214-L217 HydrophobicContact CD2-CD2 4.41Å; W214-L217 HydrophobicContact CG-CB 4.4Å; W214-L217 HydrophobicContact CG-CD2 4.15Å |
| 215 | K | 89.4 | Confident | 89.8 | Confident | 130 Ų | 130 | 62.2 Ų | 62.2 | 57% | 0.565 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -46.6 | 175.2 | -74.3 | -175.6 | -177.2 | 177 | 0 | 112 | L190 | L190-K215 WeakPolarHBondContact CD2-O 2.99Å |
| 216 | N | 87.4 | Confident | 89.8 | Confident | 117 Ų | 117 | 62.6 Ų | 62.6 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 104 | 178.5 | -60.3 | -36.8 | 0 | 0 | 0 | 108.3 | ||
| 217 | L | 89.8 | Confident | 89.2 | Confident | 32 Ų | 32 | 66.1 Ų | 66.1 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 111.1 | 174.5 | 179.2 | 55.2 | 0 | 0 | 0 | 110 | L189 R191 W214 L219 | L189-L217 HydrophobicContact CD1-CD2 4.5Å; L189-L217 VanDerWaalsContact CD2-O 3.32Å; L189-L217 WeakPolarHBondContact CD2-O 3.32Å; L189-L217 HydrophobicContact CG-CB 4.37Å; L189-L217 WeakPolarHBondContact CG-O 3.37Å; L189-L217 PolarHBondContact N-O 3.19Å; L189-L217 WeakPolarHBondContact O-CB 3.39Å; L189-L217 PolarHBondContact O-N 2.87Å; R191-L217 HydrophobicContact CB-CD2 4.18Å; W214-L217 HydrophobicContact CB-CB 4.03Å; W214-L217 HydrophobicContact CB-CD2 4.45Å; W214-L217 HydrophobicContact CD2-CD2 4.41Å; W214-L217 HydrophobicContact CG-CB 4.4Å; W214-L217 HydrophobicContact CG-CD2 4.15Å; L217-L219 HydrophobicContact CD1-CG 4.38Å; L217-L219 HydrophobicContact CD2-CD1 4.36Å; L217-L219 HydrophobicContact CG-CD1 4.38Å; L217-L219 HydrophobicContact CG-CG 4.22Å |
| 218 | E | 89.6 | Confident | 88.6 | Confident | 119 Ų | 119 | 66 Ų | 66 | 56% | 0.556 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 128.7 | 175.1 | -53.8 | -144.7 | 138.5 | 0 | 0 | 110.4 | V187 T188 | V187-E218 WeakPolarHBondContact O-CA 3.47Å; T188-E218 HydrophobicContact CG2-CG 4.27Å; T188-E218 PolarHBondContact OG1-OE1 3Å |
| 219 | L | 89.3 | Confident | 87.5 | Confident | 34 Ų | 34 | 69.6 Ų | 69.6 | 18% | 0.178 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 147.1 | 174.8 | -71.1 | 176.4 | 0 | 0 | 0 | 110.5 | T186 V187 L189 L217 A224 | T186-L219 CarbonylContact C-O 3.59Å; T186-L219 WeakPolarHBondContact CA-O 3.07Å; V187-L219 PolarHBondContact N-O 3.04Å; V187-L219 PolarHBondContact O-N 3.04Å; L189-L219 HydrophobicContact CD2-CB 4.19Å; L189-L219 HydrophobicContact CD2-CD1 4.25Å; L189-L219 HydrophobicContact CD2-CG 4.37Å; L217-L219 HydrophobicContact CD1-CG 4.38Å; L217-L219 HydrophobicContact CD2-CD1 4.36Å; L217-L219 HydrophobicContact CG-CD1 4.38Å; L217-L219 HydrophobicContact CG-CG 4.22Å; L219-A224 HydrophobicContact CB-CB 4.18Å |
| 220 | P | 90.4 | Very high | 85.9 | Confident | 62 Ų | 62 | 71.4 Ų | 71.4 | 40% | 0.403 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 142.2 | 166.3 | 28.4 | -33.7 | 0 | 0 | 0 | 109.3 | D185 Q222 N223 A224 | D185-P220 WeakPolarHBondContact O-CA 3.29Å; P220-Q222 PolarHBondContact O-N 3Å; P220-N223 HydrophobicContact CG-CB 4.14Å; P220-N223 PolarHBondContact O-N 2.82Å; P220-A224 PolarHBondContact O-N 2.66Å; P220-A224 VanDerWaalsContact O-N 3.1Å |
| 221 | K | 87 | Confident | 84 | Confident | 49 Ų | 49 | 74.8 Ų | 74.8 | 21% | 0.213 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -45.2 | -40.8 | -174.4 | -75.1 | 162.6 | -169 | 168.1 | 0 | 113.9 | N181 D185 V187 N223 A224 F225 | N181-K221 VanDerWaalsContact O-CE 3.24Å; N181-K221 WeakPolarHBondContact O-CE 3.49Å; N181-K221 PolarHBondContact O-NZ 2.93Å; D185-K221 HydrophobicContact CB-CD 4.26Å; D185-K221 WeakPolarHBondContact O-CG 3.37Å; D185-K221 PolarHBondContact O-N 2.77Å; D185-K221 WeakPolarHBondContact OD1-CD 3.36Å; D185-K221 WeakPolarHBondContact OD1-CE 3.47Å; D185-K221 IonicContact OD1-NZ 2.67Å; D185-K221 PolarHBondContact OD1-NZ 2.8Å; V187-K221 HydrophobicContact CG2-CB 4.33Å; V187-K221 HydrophobicContact CG2-CG 3.42Å; V187-K221 VanDerWaalsContact CG2-CG 3.42Å; K221-N223 VanDerWaalsContact C-N 3.32Å; K221-N223 PolarHBondContact O-N 2.88Å; K221-A224 PolarHBondContact O-N 3.2Å; K221-F225 HydrophobicContact CB-CE2 4.48Å; K221-F225 HydrophobicContact CG-CE2 4.48Å; K221-F225 VanDerWaalsContact O-CD2 3.28Å; K221-F225 WeakPolarHBondContact O-CD2 3.41Å; K221-F225 PolarHBondContact O-N 2.84Å |
| 222 | Q | 85.1 | Confident | 81.6 | Confident | 173 Ų | 173 | 81.7 Ų | 81.7 | 81% | 0.808 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59.7 | -37.1 | 178.9 | -58.3 | -177.1 | 14.4 | 0 | 0 | 113.4 | P220 K226 | P220-Q222 PolarHBondContact O-N 3Å; Q222-K226 WeakPolarHBondContact O-CB 3.46Å; Q222-K226 PolarHBondContact O-N 2.76Å |
| 223 | N | 84.1 | Confident | 79.2 | Confident | 82 Ų | 82 | 92.4 Ų | 92.4 | 44% | 0.439 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -92.8 | -20.7 | -179.2 | -71.7 | -28.9 | 0 | 0 | 0 | 113.4 | P220 K221 R228 | P220-N223 HydrophobicContact CG-CB 4.14Å; P220-N223 PolarHBondContact O-N 2.82Å; K221-N223 VanDerWaalsContact C-N 3.32Å; K221-N223 PolarHBondContact O-N 2.88Å; N223-R228 PolarHBondContact O-NH2 2.59Å |
| 224 | A | 81.4 | Confident | 78.5 | Confident | 3 Ų | 3 | 95.3 Ų | 95.3 | 3% | 0.025 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -64.6 | -50.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.9 | V187 L189 L219 P220 K221 | V187-A224 HydrophobicContact CB-CB 4.33Å; V187-A224 HydrophobicContact CG2-CB 4.39Å; L189-A224 HydrophobicContact CD2-CB 4.23Å; L219-A224 HydrophobicContact CB-CB 4.18Å; P220-A224 PolarHBondContact O-N 2.66Å; P220-A224 VanDerWaalsContact O-N 3.1Å; K221-A224 PolarHBondContact O-N 3.2Å |
| 225 | F | 82.8 | Confident | 77.7 | Confident | 57 Ų | 57 | 98.4 Ų | 98.4 | 25% | 0.25 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -99.5 | 9.7 | -173.9 | -48.6 | -56.4 | 0 | 0 | 0 | 114.5 | W155 V177 V187 K221 Q227 | W155-F225 AromaticContact CD2-CD1 3.73Å; W155-F225 HydrophobicContact CD2-CD1 3.73Å; W155-F225 AromaticContact CD2-CE1 3.95Å; W155-F225 HydrophobicContact CD2-CE1 3.95Å; W155-F225 AromaticContact CE2-CD1 3.58Å; W155-F225 AromaticContact CE2-CE1 3.39Å; W155-F225 AromaticContact CE3-CD1 3.73Å; W155-F225 HydrophobicContact CE3-CD1 3.73Å; W155-F225 HydrophobicContact CE3-CE1 4.39Å; W155-F225 HydrophobicContact CE3-CG 4.5Å; W155-F225 HydrophobicContact CG-CD1 4.5Å; W155-F225 HydrophobicContact CH2-CB 4.22Å; W155-F225 AromaticContact CH2-CD1 3.46Å; W155-F225 HydrophobicContact CH2-CD1 3.46Å; W155-F225 VanDerWaalsContact CH2-CD1 3.46Å; W155-F225 HydrophobicContact CH2-CD2 4.45Å; W155-F225 AromaticContact CH2-CE1 3.89Å; W155-F225 HydrophobicContact CH2-CE1 3.89Å; W155-F225 AromaticContact CH2-CG 3.78Å; W155-F225 HydrophobicContact CH2-CG 3.78Å; W155-F225 AromaticContact CZ2-CD1 3.45Å; W155-F225 HydrophobicContact CZ2-CD1 3.45Å; W155-F225 VanDerWaalsContact CZ2-CD1 3.45Å; W155-F225 AromaticContact CZ2-CE1 3.37Å; W155-F225 HydrophobicContact CZ2-CE1 3.37Å; W155-F225 HydrophobicContact CZ2-CG 4.14Å; W155-F225 AromaticContact CZ2-CZ 3.99Å; W155-F225 HydrophobicContact CZ2-CZ 3.99Å; W155-F225 HydrophobicContact CZ3-CB 4.02Å; W155-F225 AromaticContact CZ3-CD1 3.61Å; W155-F225 HydrophobicContact CZ3-CD1 3.61Å; W155-F225 HydrophobicContact CZ3-CE1 4.38Å; W155-F225 AromaticContact CZ3-CG 3.99Å; W155-F225 HydrophobicContact CZ3-CG 3.99Å; W155-F225 AromaticContact NE1-CE1 3.71Å; V177-F225 HydrophobicContact CG2-CE1 3.86Å; V177-F225 HydrophobicContact CG2-CZ 4.14Å; V187-F225 HydrophobicContact CG1-CZ 4.38Å; V187-F225 HydrophobicContact CG2-CE2 4.14Å; V187-F225 HydrophobicContact CG2-CZ 4.18Å; K221-F225 HydrophobicContact CB-CE2 4.48Å; K221-F225 HydrophobicContact CG-CE2 4.48Å; K221-F225 VanDerWaalsContact O-CD2 3.28Å; K221-F225 WeakPolarHBondContact O-CD2 3.41Å; K221-F225 PolarHBondContact O-N 2.84Å; F225-Q227 PolarHBondContact O-N 3.08Å |
| 226 | K | 86.1 | Confident | 77.1 | Confident | 139 Ų | 139 | 96.6 Ų | 96.6 | 60% | 0.604 | 47% | 0.469 | S | S | * | . | trans | -63.6 | 117.4 | 173.1 | -174.9 | 171.1 | -177.3 | 175.7 | 0 | 109.3 | Q222 R228 | Q222-K226 WeakPolarHBondContact O-CB 3.46Å; Q222-K226 PolarHBondContact O-N 2.76Å; K226-R228 WeakPolarHBondContact O-CG 3.32Å; K226-R228 PolarHBondContact O-N 3.13Å | ||
| 227 | Q | 79.5 | Confident | 76.5 | Confident | 131 Ų | 131 | 95.4 Ų | 95.4 | 61% | 0.612 | 46% | 0.459 | S | S | * | . | trans | -56.2 | 131.4 | 178.1 | -178 | 173.6 | -31.5 | 0 | 0 | 110.7 | N157 Q159 F225 | N157-Q227 WeakPolarHBondContact O-CA 3.48Å; Q159-Q227 HydrophobicContact CG-CG 4.41Å; Q159-Q227 VanDerWaalsContact NE2-CD 3.26Å; F225-Q227 PolarHBondContact O-N 3.08Å | ||
| 228 | R | 79.5 | Confident | 75.6 | Confident | 77 Ų | 77 | 99.4 Ų | 99.4 | 29% | 0.291 | 48% | 0.478 | S | S | . | . | trans | -107 | 135.5 | -178.2 | -55.1 | -173.5 | -179.4 | -163.7 | -6.7 | 109.3 | N157 N223 K226 | N157-R228 PolarHBondContact O-N 2.93Å; N223-R228 PolarHBondContact O-NH2 2.59Å; K226-R228 WeakPolarHBondContact O-CG 3.32Å; K226-R228 PolarHBondContact O-N 3.13Å | ||
| 229 | V | 70.9 | Confident | 74.7 | Confident | 130 Ų | 130 | 98.1 Ų | 98.1 | 79% | 0.788 | 47% | 0.472 | S | S | * | . | trans | -76.3 | 133.5 | 165.2 | -176.8 | 0 | 0 | 0 | 0 | 106.9 | V231 | V229-V231 PolarHBondContact O-N 3.46Å; V229-V231 VanDerWaalsContact O-N 3.09Å | ||
| 230 | C | 61.7 | Low | 73.7 | Confident | 38 Ų | 38 | 102.6 Ų | 102.6 | 26% | 0.257 | 49% | 0.493 | S | S | . | . | trans | -67.7 | 105.8 | 172.5 | -169.8 | 0 | 0 | 0 | 0 | 107.7 | D172 Q232 | D172-C230 PolarHBondContact OD1-SG 3.47Å; D172-C230 VanDerWaalsContact OD1-SG 3.33Å; C230-Q232 PolarHBondContact O-N 3.06Å | ||
| 231 | V | 54.8 | Low | 72.4 | Confident | 77 Ų | 77 | 105.8 Ų | 105.8 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | trans | -84 | 101.5 | 177.1 | -174 | 0 | 0 | 0 | 0 | 107.1 | V229 Y233 | V229-V231 PolarHBondContact O-N 3.46Å; V229-V231 VanDerWaalsContact O-N 3.09Å; V231-Y233 HydrophobicContact CB-CD2 4.43Å; V231-Y233 HydrophobicContact CB-CE2 3.91Å; V231-Y233 HydrophobicContact CG1-CD2 3.94Å; V231-Y233 HydrophobicContact CG1-CE1 4.3Å; V231-Y233 HydrophobicContact CG1-CE2 3.44Å; V231-Y233 VanDerWaalsContact CG1-CE2 3.44Å; V231-Y233 WeakPolarHBondContact O-CD2 3.01Å | ||
| 232 | Q | 44.5 | Very low | 71.1 | Confident | 145 Ų | 145 | 110.5 Ų | 110.5 | 68% | 0.678 | 52% | 0.524 | S | S | * | . | trans | -74.4 | 127.8 | 169.6 | -54.7 | -162 | -98.4 | 0 | 0 | 108.2 | C230 | C230-Q232 PolarHBondContact O-N 3.06Š| ||
| 233 | Y | 43.4 | Very low | 69.9 | Low | 274 Ų | 274 | 104.8 Ų | 104.8 | 100% | 1.075 | 50% | 0.499 | S | S | * | . | trans | -112.5 | 0 | 172.7 | -71.2 | -86.8 | 0 | 0 | 0 | 108.5 | V231 | V231-Y233 HydrophobicContact CB-CD2 4.43Å; V231-Y233 HydrophobicContact CB-CE2 3.91Å; V231-Y233 HydrophobicContact CG1-CD2 3.94Å; V231-Y233 HydrophobicContact CG1-CE1 4.3Å; V231-Y233 HydrophobicContact CG1-CE2 3.44Å; V231-Y233 VanDerWaalsContact CG1-CE2 3.44Å; V231-Y233 WeakPolarHBondContact O-CD2 3.01Å |
Retrieved 233 of 233 residues in 762.9 ms
(Link to these results)