| 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 | 43.5 | Very low | 34.5 | Very low | 235 Ų | 235 | 152.5 Ų | 152.5 | 100% | 1.158 | 80% | 0.795 | S | S | * | * | 0 | 134.7 | 0 | -76 | -72.7 | -176.9 | 0 | 0 | 108.3 | |||||
| 2 | P | 56.7 | Low | 33.9 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | -127.5 | 149 | 109.7 | 4.9 | 16.7 | 0 | 0 | 0 | 114.4 | |||||
| 3 | F | 33.8 | Very low | 33.5 | Very low | 194 Ų | 194 | 144.8 Ų | 144.8 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | 45.1 | 118.7 | 148 | -64.2 | -77.8 | 0 | 0 | 0 | 119.7 | ||||
| 4 | S | 30.4 | Very low | 33 | Very low | 93 Ų | 93 | 143.8 Ų | 143.8 | 65% | 0.65 | 81% | 0.806 | S | S | * | * | cis | 57.5 | 102.2 | 46.8 | -154.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 5 | H | 36.2 | Very low | 33 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 67% | 0.671 | 81% | 0.809 | S | S | * | * | 167.3 | 137.5 | 118.2 | -99.4 | 17.7 | 0 | 0 | 0 | 116.5 | |||||
| 6 | K | 31.1 | Very low | 32.8 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 70% | 0.7 | 81% | 0.811 | S | S | * | * | trans | 67 | 113 | 135.8 | -69.8 | 177 | 180 | 170.6 | 0 | 119.7 | ||||
| 7 | R | 24.2 | Very low | 32.8 | Very low | 242 Ų | 242 | 141.4 Ų | 141.4 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | 70.7 | 120.3 | 89 | -80 | -170.6 | -179.5 | -174.1 | 0.6 | 114.4 | |||||
| 8 | S | 33.1 | Very low | 32.3 | Very low | 96 Ų | 96 | 144.8 Ų | 144.8 | 67% | 0.671 | 82% | 0.819 | S | S | * | * | 165.8 | 133.9 | 113.9 | -163.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 9 | M | 31.5 | Very low | 32.1 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 89% | 0.892 | 82% | 0.824 | S | S | * | * | trans | 38.8 | 156.6 | 141.3 | -62.9 | -176.2 | -163.1 | 0 | 0 | 121.6 | ||||
| 10 | A | 27.2 | Very low | 31.9 | Very low | 77 Ų | 77 | 149.4 Ų | 149.4 | 64% | 0.636 | 82% | 0.824 | S | S | * | * | cis | -176.9 | 171.9 | -20.1 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 11 | T | 31.2 | Very low | 31.8 | Very low | 145 Ų | 145 | 150.2 Ų | 150.2 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | trans | 85.3 | 119.8 | 159.6 | 55.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 12 | G | 27.8 | Very low | 31 | Very low | 79 Ų | 79 | 145.5 Ų | 145.5 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | 92.7 | 144.3 | 145.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 13 | C | 28.4 | Very low | 29.6 | Very low | 126 Ų | 126 | 147.9 Ų | 147.9 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | cis | -167.7 | 162.7 | -12.1 | -167.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 14 | C | 26.8 | Very low | 29.4 | Very low | 130 Ų | 130 | 144 Ų | 144 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | trans | -43.9 | 137.7 | -174 | -55.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 15 | G | 33.6 | Very low | 29.3 | Very low | 82 Ų | 82 | 145 Ų | 145 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | -145.7 | 101 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 16 | A | 29.4 | Very low | 29 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | -76.2 | 125.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 17 | K | 32.1 | Very low | 28.8 | Very low | 207 Ų | 207 | 143.4 Ų | 143.4 | 90% | 0.9 | 83% | 0.825 | S | S | * | * | trans | -160.5 | 116.1 | 149.5 | -131.4 | 169.7 | -178.7 | 174.4 | 0 | 112.6 | ||||
| 18 | K | 25.3 | Very low | 28.8 | Very low | 202 Ų | 202 | 138.6 Ų | 138.6 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | trans | -11.8 | 123.3 | 159.5 | -68.9 | 170.7 | 172 | 176.7 | 0 | 115.9 | ||||
| 19 | Q | 28.4 | Very low | 28.3 | Very low | 193 Ų | 193 | 140 Ų | 140 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | trans | -145.8 | 140.7 | 138.1 | -116.3 | 174.4 | -9.2 | 0 | 0 | 111.2 | ||||
| 20 | K | 26.5 | Very low | 27.8 | Very low | 189 Ų | 189 | 141.6 Ų | 141.6 | 82% | 0.822 | 83% | 0.827 | S | S | * | * | trans | -83.1 | 106.5 | -162.1 | -176.1 | 179.3 | 179.7 | -177.5 | 0 | 108.9 | ||||
| 21 | L | 30.7 | Very low | 27.7 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 87% | 0.869 | 83% | 0.834 | S | S | * | * | trans | -95.4 | 108.4 | 170.6 | -78.6 | 164.4 | 0 | 0 | 0 | 108.5 | N23 | L21-N23 PolarHBondContact O-N 3.45Š| ||
| 22 | N | 26.3 | Very low | 27.3 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 73% | 0.733 | 83% | 0.828 | S | S | * | * | trans | -66.7 | 112.6 | 166.2 | -84.9 | -5.1 | 0 | 0 | 0 | 108.1 | S24 | N22-S24 PolarHBondContact O-N 3.31Š| ||
| 23 | N | 28.5 | Very low | 27.1 | Very low | 158 Ų | 158 | 145.9 Ų | 145.9 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | trans | -74.3 | 115.6 | 160.1 | -99.1 | -1.8 | 0 | 0 | 0 | 108.1 | L21 | L21-N23 PolarHBondContact O-N 3.45Š| ||
| 24 | S | 28.8 | Very low | 26.9 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 79% | 0.79 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 127.2 | 165 | -51.8 | 0 | 0 | 0 | 0 | 109.2 | N22 | N22-S24 PolarHBondContact O-N 3.31Š|
| 25 | P | 28.9 | Very low | 26.8 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 75% | 0.747 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 140 | 171.3 | 3.5 | 11.8 | 0 | 0 | 0 | 110.2 | ||
| 26 | S | 29.3 | Very low | 26 | Very low | 99 Ų | 99 | 145.3 Ų | 145.3 | 69% | 0.692 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 130.6 | 164.6 | 36.8 | 0 | 0 | 0 | 0 | 111.5 | D28 | S26-D28 PolarHBondContact O-N 3.05Å; S26-D28 VanDerWaalsContact O-N 3.11Å |
| 27 | L | 26.6 | Very low | 25.8 | Very low | 173 Ų | 173 | 145 Ų | 145 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | trans | -71.1 | 96.5 | 174.5 | -72.5 | 160.9 | 0 | 0 | 0 | 109.2 | ||||
| 28 | D | 24.2 | Very low | 25.4 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 75% | 0.754 | 82% | 0.821 | S | S | * | * | trans | -74.5 | 143.9 | 168 | -80.8 | -39.6 | 0 | 0 | 0 | 111.2 | S26 | S26-D28 PolarHBondContact O-N 3.05Å; S26-D28 VanDerWaalsContact O-N 3.11Å | ||
| 29 | C | 22.3 | Very low | 25.3 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -56.2 | 132.9 | -175.2 | -57.8 | 0 | 0 | 0 | 0 | 112.7 | D31 | C29-D31 PolarHBondContact O-N 3.11Å; C29-D31 VanDerWaalsContact O-N 3.13Å | ||
| 30 | F | 22.2 | Very low | 25 | Very low | 215 Ų | 215 | 134 Ų | 134 | 94% | 0.943 | 81% | 0.809 | S | S | * | * | trans | -66.3 | 106.2 | 168.2 | -82.5 | -90.2 | 0 | 0 | 0 | 109.7 | ||||
| 31 | D | 23.8 | Very low | 25 | Very low | 143 Ų | 143 | 128.6 Ų | 128.6 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | trans | -115.7 | 137.4 | 162.4 | -141.4 | -20.1 | 0 | 0 | 0 | 109.9 | C29 | C29-D31 PolarHBondContact O-N 3.11Å; C29-D31 VanDerWaalsContact O-N 3.13Å | ||
| 32 | T | 23.5 | Very low | 24.6 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 77% | 0.767 | 80% | 0.798 | S | S | * | * | trans | -76.7 | 132.3 | -178.7 | 24.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 33 | S | 22.9 | Very low | 24.5 | Very low | 124 Ų | 124 | 127.5 Ų | 127.5 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -164.1 | 114.7 | 160.1 | -73.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 34 | A | 24.1 | Very low | 24.5 | Very low | 105 Ų | 105 | 123.7 Ų | 123.7 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | trans | 153.2 | 138.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 35 | A | 25 | Very low | 24.3 | Very low | 96 Ų | 96 | 126.1 Ų | 126.1 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | cis | -156.2 | 152.8 | 6.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 36 | S | 18.1 | Very low | 24.1 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -74.7 | 139.8 | 167 | 19.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 37 | A | 25.4 | Very low | 24.1 | Very low | 97 Ų | 97 | 126.9 Ų | 126.9 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -167.6 | 102.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 38 | S | 22.8 | Very low | 23.8 | Very low | 114 Ų | 114 | 123.8 Ų | 123.8 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | 70.5 | 101.9 | 92.1 | -93.8 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 39 | S | 23 | Very low | 24 | Very low | 91 Ų | 91 | 125 Ų | 125 | 64% | 0.636 | 81% | 0.811 | S | S | * | * | 53.9 | 117.6 | 121.9 | 64.3 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 40 | N | 23 | Very low | 24 | Very low | 166 Ų | 166 | 130 Ų | 130 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | 154.9 | 144.7 | 106.8 | -86.4 | -24 | 0 | 0 | 0 | 114.3 | |||||
| 41 | G | 24.8 | Very low | 24.6 | Very low | 74 Ų | 74 | 124.9 Ų | 124.9 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | 106.2 | 98.9 | 163 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 42 | S | 23.3 | Very low | 24.7 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | cis | 78.3 | 114.4 | 36.8 | -151.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 43 | M | 25 | Very low | 24.7 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | trans | 79.4 | 125.1 | 148.5 | -70.1 | 168.2 | -179.5 | 0 | 0 | 120.3 | ||||
| 44 | G | 28.4 | Very low | 25.1 | Very low | 79 Ų | 79 | 137.4 Ų | 137.4 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | 179 | 69.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 45 | D | 23.8 | Very low | 25.2 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -55 | 160 | 169.4 | -71.5 | -58.9 | 0 | 0 | 0 | 113.4 | ||||
| 46 | G | 25.6 | Very low | 25.3 | Very low | 67 Ų | 67 | 141.4 Ų | 141.4 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | trans | 147.6 | 77.6 | 147.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 47 | L | 27.6 | Very low | 25.9 | Very low | 164 Ų | 164 | 140 Ų | 140 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | 52.4 | 117.7 | 129 | -70.6 | 156.2 | 0 | 0 | 0 | 120.6 | |||||
| 48 | C | 21 | Very low | 26.3 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 72% | 0.723 | 80% | 0.8 | S | S | * | * | trans | -17.9 | 137.1 | 146.9 | 54.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 49 | D | 28.7 | Very low | 26.4 | Very low | 167 Ų | 167 | 147.2 Ų | 147.2 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | -151.9 | 142.5 | 129.8 | -128.6 | -22.2 | 0 | 0 | 0 | 113.2 | |||||
| 50 | R | 22.4 | Very low | 26.9 | Very low | 229 Ų | 229 | 148.3 Ų | 148.3 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -138.1 | 160.9 | 178.9 | -147.1 | -160.3 | -178.8 | -178.1 | 1.8 | 103.6 | ||||
| 51 | P | 33.7 | Very low | 27.3 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | cis | -134.7 | -179.3 | -4.3 | 37.7 | -18.2 | 0 | 0 | 0 | 113.5 | ||||
| 52 | R | 26.2 | Very low | 27.8 | Very low | 236 Ų | 236 | 148.5 Ų | 148.5 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | 149.1 | 126.5 | 110.6 | -161.2 | 171.2 | -164.1 | -155.2 | 3.4 | 113.2 | |||||
| 53 | R | 23.8 | Very low | 28.3 | Very low | 227 Ų | 227 | 150.9 Ų | 150.9 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | trans | -55.3 | 140.4 | 172.7 | -66.1 | 169.7 | 173.1 | 167.6 | -3.7 | 113 | ||||
| 54 | Q | 31.2 | Very low | 28.7 | Very low | 193 Ų | 193 | 149.5 Ų | 149.5 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -138.6 | 145.6 | 139.4 | -72.7 | -161.6 | 9.2 | 0 | 0 | 111.2 | ||||
| 55 | H | 26.2 | Very low | 29.3 | Very low | 175 Ų | 175 | 156.9 Ų | 156.9 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -77.3 | 164.7 | -168.7 | -112.7 | -115.9 | 0 | 0 | 0 | 113.5 | ||||
| 56 | S | 27.1 | Very low | 30.2 | Very low | 110 Ų | 110 | 156.7 Ų | 156.7 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | 76.7 | 137.3 | 152.9 | 82.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 57 | S | 30.5 | Very low | 30.8 | Very low | 95 Ų | 95 | 161.8 Ų | 161.8 | 66% | 0.664 | 81% | 0.807 | S | S | * | * | cis | -168.9 | 156.9 | 22.1 | 49.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 58 | L | 34.1 | Very low | 31.2 | Very low | 156 Ų | 156 | 164.5 Ų | 164.5 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | trans | 66.2 | 97.8 | 148.7 | -64 | 156.3 | 0 | 0 | 0 | 118.7 | ||||
| 59 | F | 24.1 | Very low | 32.2 | Very low | 206 Ų | 206 | 166.4 Ų | 166.4 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | trans | -54.3 | 140 | 156.9 | -63.5 | -89.1 | 0 | 0 | 0 | 111 | ||||
| 60 | P | 33.4 | Very low | 32.8 | Very low | 113 Ų | 113 | 164.1 Ų | 164.1 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | -138.9 | 150.4 | 113.2 | 33.9 | -19.4 | 0 | 0 | 0 | 114.7 | |||||
| 61 | T | 32.8 | Very low | 33.8 | Very low | 116 Ų | 116 | 158.4 Ų | 158.4 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | trans | 76.3 | 97.5 | 154.7 | -43.1 | 0 | 0 | 0 | 0 | 117.9 | N63 | T61-N63 PolarHBondContact O-N 2.78Š| ||
| 62 | V | 35.3 | Very low | 34.8 | Very low | 129 Ų | 129 | 159 Ų | 159 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | trans | -6.9 | 84.4 | 139.1 | -171.5 | 0 | 0 | 0 | 0 | 113.4 | N64 | V62-N64 PolarHBondContact O-N 3.49Š| ||
| 63 | N | 33.9 | Very low | 37.1 | Very low | 151 Ų | 151 | 155.9 Ų | 155.9 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | trans | -79 | 115.8 | 156 | -91.9 | -22.8 | 0 | 0 | 0 | 106.7 | T61 R65 | T61-N63 PolarHBondContact O-N 2.78Å; N63-R65 PolarHBondContact O-N 2.97Å | ||
| 64 | N | 33.7 | Very low | 40 | Very low | 149 Ų | 149 | 151.9 Ų | 151.9 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -44.2 | 83.5 | 163.7 | -80.1 | -27.6 | 0 | 0 | 0 | 109.8 | V62 L66 | V62-N64 PolarHBondContact O-N 3.49Å; N64-L66 PolarHBondContact O-N 2.88Å | ||
| 65 | R | 40.5 | Very low | 42.9 | Very low | 234 Ų | 234 | 144 Ų | 144 | 88% | 0.883 | 73% | 0.733 | S | S | * | * | trans | -75.3 | 85.6 | 162.9 | -156.4 | -178.9 | -69.9 | -150.2 | 1.1 | 103.1 | N63 K67 | N63-R65 PolarHBondContact O-N 2.97Å; R65-K67 VanDerWaalsContact C-N 3.25Å; R65-K67 PolarHBondContact O-N 3.24Å | ||
| 66 | L | 41.8 | Very low | 46.1 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 84% | 0.838 | 70% | 0.696 | S | S | * | * | trans | -33.1 | 102 | 163.8 | -81.8 | 158.8 | 0 | 0 | 0 | 105.8 | N64 R68 | N64-L66 PolarHBondContact O-N 2.88Å; L66-R68 VanDerWaalsContact C-N 3.25Å; L66-R68 PolarHBondContact O-N 2.83Å | ||
| 67 | K | 37.9 | Very low | 49.2 | Very low | 174 Ų | 174 | 131.8 Ų | 131.8 | 76% | 0.757 | 67% | 0.668 | S | S | * | * | trans | -60.3 | 105.4 | 178.1 | -138.2 | 179.2 | -175.6 | -174.3 | 0 | 101.5 | R65 E69 | R65-K67 VanDerWaalsContact C-N 3.25Å; R65-K67 PolarHBondContact O-N 3.24Å; K67-E69 HydrophobicContact CB-CG 4.29Å; K67-E69 PolarHBondContact O-N 2.83Å | ||
| 68 | R | 38.1 | Very low | 52.3 | Low | 220 Ų | 220 | 131.4 Ų | 131.4 | 83% | 0.83 | 65% | 0.654 | S | S | * | * | trans | -66.7 | 74.2 | 169.1 | -172.4 | 177.1 | 174.9 | 169 | -1.2 | 104.7 | L66 N70 | L66-R68 VanDerWaalsContact C-N 3.25Å; L66-R68 PolarHBondContact O-N 2.83Å; R68-N70 PolarHBondContact O-N 3.1Å | ||
| 69 | E | 40.3 | Very low | 55.2 | Low | 147 Ų | 147 | 127.6 Ų | 127.6 | 69% | 0.687 | 63% | 0.632 | S | S | * | * | trans | -64 | 87 | 160.8 | -71.2 | -179.1 | 176.8 | 0 | 0 | 103.3 | K67 C71 | K67-E69 HydrophobicContact CB-CG 4.29Å; K67-E69 PolarHBondContact O-N 2.83Å; E69-C71 PolarHBondContact O-N 2.87Å | ||
| 70 | N | 41.1 | Very low | 58.6 | Low | 119 Ų | 119 | 117.8 Ų | 117.8 | 64% | 0.636 | 59% | 0.589 | S | S | * | * | trans | -62.1 | 75.3 | 147.9 | -95.1 | 21.5 | 0 | 0 | 0 | 105 | R68 T72 | R68-N70 PolarHBondContact O-N 3.1Å; N70-T72 PolarHBondContact O-N 3.41Å | ||
| 71 | C | 44.5 | Very low | 61.7 | Low | 110 Ų | 110 | 112.4 Ų | 112.4 | 74% | 0.743 | 55% | 0.554 | S | S | * | * | trans | -66.5 | 90.7 | 158 | -162 | 0 | 0 | 0 | 0 | 102.8 | E69 E73 | E69-C71 PolarHBondContact O-N 2.87Å; C71-E73 VanDerWaalsContact C-N 3.28Å; C71-E73 PolarHBondContact O-N 2.87Å | ||
| 72 | T | 55.1 | Low | 64.7 | Low | 118 Ų | 118 | 107.1 Ų | 107.1 | 72% | 0.724 | 52% | 0.521 | S | S | * | . | trans | -58.3 | 102.6 | 170.7 | 36.3 | 0 | 0 | 0 | 0 | 105.6 | N70 R74 | N70-T72 PolarHBondContact O-N 3.41Å; T72-R74 PolarHBondContact O-N 3.41Å | ||
| 73 | E | 74.3 | Confident | 67.7 | Low | 171 Ų | 171 | 101.4 Ų | 101.4 | 80% | 0.799 | 49% | 0.486 | S | S | * | . | trans | -58.6 | 128.9 | 179.2 | -172.1 | 174.8 | -167.3 | 0 | 0 | 107.9 | C71 V75 | C71-E73 VanDerWaalsContact C-N 3.28Å; C71-E73 PolarHBondContact O-N 2.87Å; E73-V75 PolarHBondContact O-N 3.46Å | ||
| 74 | R | 84.3 | Confident | 70.8 | Confident | 144 Ų | 144 | 94.2 Ų | 94.2 | 54% | 0.543 | 45% | 0.448 | S | S | . | . | trans | -57.3 | 122.6 | 179.8 | -175.6 | -170 | -73.1 | -140.5 | 1.2 | 108.5 | T72 V76 E266 K267 | T72-R74 PolarHBondContact O-N 3.41Å; R74-V76 WeakPolarHBondContact CD-O 3.47Å; R74-V76 HydrophobicContact CG-CG1 3.73Å; R74-V76 WeakPolarHBondContact CG-O 3.29Å; R74-E266 WeakPolarHBondContact CG-OE2 3.46Å; R74-K267 PolarHBondContact NH1-O 2.94Å | ||
| 75 | V | 91.4 | Very high | 73.8 | Confident | 27 Ų | 27 | 87.1 Ų | 87.1 | 16% | 0.164 | 41% | 0.41 | C | S | . | . | trans | -75.8 | -40.3 | 177.8 | -177 | 0 | 0 | 0 | 0 | 110.4 | E73 S77 M80 F108 L169 E266 | E73-V75 PolarHBondContact O-N 3.46Å; V75-S77 PolarHBondContact O-N 3.37Å; V75-M80 WeakPolarHBondContact O-CE 3.36Å; V75-F108 HydrophobicContact CB-CZ 4.41Å; V75-F108 HydrophobicContact CG1-CE2 3.64Å; V75-F108 HydrophobicContact CG1-CZ 3.75Å; V75-F108 HydrophobicContact CG2-CZ 4.25Å; V75-L169 HydrophobicContact CB-CD1 4.28Å; V75-L169 HydrophobicContact CG1-CD1 3.9Å; V75-E266 PolarHBondContact N-OE2 3.41Å | ||
| 76 | V | 93.2 | Very high | 76.5 | Confident | 3 Ų | 3 | 77 Ų | 77 | 2% | 0.018 | 37% | 0.373 | C | S | . | . | trans | -70.9 | 126.1 | 179.7 | 76.2 | 0 | 0 | 0 | 0 | 110.8 | R74 M80 V167 L169 E266 M268 | R74-V76 WeakPolarHBondContact CD-O 3.47Å; R74-V76 HydrophobicContact CG-CG1 3.73Å; R74-V76 WeakPolarHBondContact CG-O 3.29Å; V76-M80 HydrophobicContact CG2-SD 4.15Å; V76-V167 HydrophobicContact CG2-CB 4.31Å; V76-V167 HydrophobicContact CG2-CG1 4.01Å; V76-L169 HydrophobicContact CB-CD1 4.01Å; V76-L169 HydrophobicContact CB-CG 4.17Å; V76-L169 HydrophobicContact CG2-CD1 4.38Å; V76-L169 HydrophobicContact CG2-CG 4.21Å; V76-E266 HydrophobicContact CB-CB 4.08Å; V76-E266 HydrophobicContact CG1-CB 3.6Å; V76-E266 PolarHBondContact N-OE2 3.43Å; V76-M268 HydrophobicContact CB-CB 4.44Å; V76-M268 HydrophobicContact CG1-CB 4.02Å; V76-M268 HydrophobicContact CG1-CE 4.47Å; V76-M268 HydrophobicContact CG2-CB 3.6Å; V76-M268 WeakPolarHBondContact O-CE 3.33Å | ||
| 77 | S | 93.7 | Very high | 79.2 | Confident | 26 Ų | 26 | 69.6 Ų | 69.6 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | trans | -121.7 | 162.4 | -176.5 | 90 | 0 | 0 | 0 | 0 | 111.9 | V75 E79 M80 | V75-S77 PolarHBondContact O-N 3.37Å; S77-E79 WeakPolarHBondContact CB-OE2 3.12Å; S77-E79 PolarHBondContact O-N 3.26Å; S77-E79 PolarHBondContact OG-N 3.3Å; S77-E79 PolarHBondContact OG-OE2 3.02Å; S77-M80 WeakPolarHBondContact O-CB 3.41Å; S77-M80 PolarHBondContact O-N 3.44Å | ||
| 78 | K | 94.6 | Very high | 82.1 | Confident | 87 Ų | 87 | 61.3 Ų | 61.3 | 38% | 0.378 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.1 | -34.4 | 176.8 | -70.8 | -170.9 | -179.7 | -169.5 | 0 | 111.2 | M80 V81 L82 M268 V270 E274 L278 | K78-M80 PolarHBondContact O-N 3.29Å; K78-V81 WeakPolarHBondContact O-CB 3.25Å; K78-V81 PolarHBondContact O-N 2.92Å; K78-L82 WeakPolarHBondContact O-CG 3.2Å; K78-L82 PolarHBondContact O-N 3.16Å; K78-M268 HydrophobicContact CG-CE 4.29Å; K78-M268 HydrophobicContact CG-CG 4.17Å; K78-M268 HydrophobicContact CG-SD 3.78Å; K78-V270 HydrophobicContact CB-CG2 4.45Å; K78-V270 HydrophobicContact CG-CG2 4.33Å; K78-E274 WeakPolarHBondContact CE-OE1 3.38Å; K78-E274 IonicContact NZ-OE1 2.97Å; K78-E274 PolarHBondContact NZ-OE1 3.18Å; K78-L278 HydrophobicContact CD-CD1 4.19Å |
| 79 | E | 94.7 | Very high | 84.9 | Confident | 75 Ų | 75 | 52 Ų | 52 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.4 | -33.9 | 179.7 | -62.2 | 69.6 | -153.8 | 0 | 0 | 112.4 | S77 V81 L82 F83 F103 | S77-E79 WeakPolarHBondContact CB-OE2 3.12Å; S77-E79 PolarHBondContact O-N 3.26Å; S77-E79 PolarHBondContact OG-N 3.3Å; S77-E79 PolarHBondContact OG-OE2 3.02Å; E79-V81 VanDerWaalsContact C-N 3.33Å; E79-L82 PolarHBondContact O-N 3.37Å; E79-F83 WeakPolarHBondContact O-CB 3.36Å; E79-F83 PolarHBondContact O-N 3.32Å; E79-F103 HydrophobicContact CB-CB 4.42Å; E79-F103 HydrophobicContact CB-CD1 3.69Å; E79-F103 HydrophobicContact CB-CE1 4.43Å; E79-F103 HydrophobicContact CB-CG 4.45Å; E79-F103 WeakPolarHBondContact O-CE1 3.33Å |
| 80 | M | 96.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 174.8 | -62 | -178.5 | -174.8 | 0 | 0 | 111.5 | V75 V76 S77 K78 F83 C84 F103 V104 L134 L138 L169 | V75-M80 WeakPolarHBondContact O-CE 3.36Å; V76-M80 HydrophobicContact CG2-SD 4.15Å; S77-M80 WeakPolarHBondContact O-CB 3.41Å; S77-M80 PolarHBondContact O-N 3.44Å; K78-M80 PolarHBondContact O-N 3.29Å; M80-F83 PolarHBondContact O-N 3.14Å; M80-C84 PolarHBondContact O-N 2.98Å; M80-C84 PolarHBondContact O-SG 3.45Å; M80-F103 HydrophobicContact CB-CZ 4.41Å; M80-F103 HydrophobicContact CE-CD2 4.24Å; M80-F103 HydrophobicContact CG-CD1 4.36Å; M80-F103 HydrophobicContact CG-CD2 3.98Å; M80-F103 HydrophobicContact CG-CE1 4.25Å; M80-F103 HydrophobicContact CG-CE2 3.9Å; M80-F103 HydrophobicContact CG-CG 4.23Å; M80-F103 HydrophobicContact CG-CZ 4.05Å; M80-V104 HydrophobicContact CE-CG1 4.02Å; M80-L134 HydrophobicContact CE-CD1 3.75Å; M80-L134 HydrophobicContact SD-CD2 4.34Å; M80-L138 HydrophobicContact CB-CD1 3.71Å; M80-L138 HydrophobicContact CG-CD1 3.99Å; M80-L169 HydrophobicContact SD-CD1 4.18Å |
| 81 | V | 97.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.4 | -41.2 | 178.5 | -168.7 | 0 | 0 | 0 | 0 | 111.1 | K78 E79 F83 C84 F85 C165 V167 M268 V270 | K78-V81 WeakPolarHBondContact O-CB 3.25Å; K78-V81 PolarHBondContact O-N 2.92Å; E79-V81 VanDerWaalsContact C-N 3.33Å; V81-F83 VanDerWaalsContact C-N 3.26Å; V81-F83 PolarHBondContact O-N 3.04Å; V81-C84 WeakPolarHBondContact O-CB 3.41Å; V81-C84 PolarHBondContact O-N 2.82Å; V81-C84 VanDerWaalsContact O-N 3.12Å; V81-F85 HydrophobicContact CG1-CD2 4.41Å; V81-F85 HydrophobicContact CG1-CE2 4.39Å; V81-F85 PolarHBondContact O-N 3.08Å; V81-F85 VanDerWaalsContact O-N 3.09Å; V81-C165 HydrophobicContact CG1-CB 3.54Å; V81-C165 VanDerWaalsContact CG1-O 3.24Å; V81-C165 WeakPolarHBondContact CG1-O 3.42Å; V81-V167 HydrophobicContact CB-CG2 4.47Å; V81-V167 HydrophobicContact CG2-CB 4.08Å; V81-V167 HydrophobicContact CG2-CG2 3.92Å; V81-M268 HydrophobicContact CG2-CB 3.76Å; V81-M268 HydrophobicContact CG2-CG 3.64Å; V81-M268 WeakPolarHBondContact CG2-O 3.49Å; V81-V270 HydrophobicContact CB-CB 4.13Å; V81-V270 HydrophobicContact CB-CG2 3.8Å; V81-V270 HydrophobicContact CG1-CB 3.61Å; V81-V270 HydrophobicContact CG1-CG2 3.83Å; V81-V270 HydrophobicContact CG2-CG2 4.22Å |
| 82 | L | 96.5 | Very high | 92.7 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.9 | -38.8 | 174.4 | -60.7 | 179.4 | 0 | 0 | 0 | 111.4 | K78 E79 C84 F85 D86 V270 Y275 L278 | K78-L82 WeakPolarHBondContact O-CG 3.2Å; K78-L82 PolarHBondContact O-N 3.16Å; E79-L82 PolarHBondContact O-N 3.37Å; L82-C84 VanDerWaalsContact C-N 3.34Å; L82-C84 PolarHBondContact O-N 3.34Å; L82-F85 WeakPolarHBondContact O-CB 3.49Å; L82-F85 PolarHBondContact O-N 2.7Å; L82-D86 PolarHBondContact O-N 3.2Å; L82-V270 HydrophobicContact CD2-CG1 4.12Å; L82-Y275 HydrophobicContact CB-CD2 4.32Å; L82-Y275 HydrophobicContact CD2-CD2 3.58Å; L82-Y275 HydrophobicContact CD2-CG 4.3Å; L82-L278 HydrophobicContact CD1-CB 4.06Å; L82-L278 HydrophobicContact CD1-CD1 4.22Å; L82-L278 HydrophobicContact CD2-CB 4.18Å; L82-L278 HydrophobicContact CD2-CD1 3.99Å |
| 83 | F | 97.4 | Very high | 94.6 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 4% | 0.039 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.4 | -37.2 | 175.3 | 177.5 | -110.1 | 0 | 0 | 0 | 112.3 | E79 M80 V81 D86 V87 P98 P101 F103 L138 R139 | E79-F83 WeakPolarHBondContact O-CB 3.36Å; E79-F83 PolarHBondContact O-N 3.32Å; M80-F83 PolarHBondContact O-N 3.14Å; V81-F83 VanDerWaalsContact C-N 3.26Å; V81-F83 PolarHBondContact O-N 3.04Å; F83-D86 PolarHBondContact O-N 3.37Å; F83-V87 HydrophobicContact CD1-CG2 4.32Å; F83-V87 HydrophobicContact CD2-CG2 4.33Å; F83-V87 HydrophobicContact CE1-CG2 3.96Å; F83-V87 HydrophobicContact CE2-CG2 3.97Å; F83-V87 HydrophobicContact CZ-CG2 3.77Å; F83-V87 WeakPolarHBondContact O-CB 3.44Å; F83-V87 VanDerWaalsContact O-CG2 3.25Å; F83-V87 WeakPolarHBondContact O-CG2 3.2Å; F83-V87 PolarHBondContact O-N 3.17Å; F83-P98 HydrophobicContact CD2-CG 4.5Å; F83-P98 HydrophobicContact CE2-CB 4.46Å; F83-P98 HydrophobicContact CE2-CG 3.98Å; F83-P101 HydrophobicContact CD1-CG 4.29Å; F83-P101 HydrophobicContact CD2-CB 3.94Å; F83-P101 HydrophobicContact CD2-CG 4.05Å; F83-P101 HydrophobicContact CE1-CG 4.17Å; F83-P101 HydrophobicContact CE2-CB 4.23Å; F83-P101 HydrophobicContact CE2-CG 3.94Å; F83-P101 HydrophobicContact CG-CB 4.2Å; F83-P101 HydrophobicContact CG-CG 4.22Å; F83-P101 HydrophobicContact CZ-CG 3.99Å; F83-F103 HydrophobicContact CB-CE1 3.77Å; F83-F103 HydrophobicContact CB-CZ 4.18Å; F83-F103 HydrophobicContact CD1-CE1 4.47Å; F83-F103 HydrophobicContact CD1-CZ 4.07Å; F83-F103 HydrophobicContact CG-CE1 4.17Å; F83-F103 HydrophobicContact CG-CZ 4.23Å; F83-L138 HydrophobicContact CD1-CB 4.04Å; F83-L138 HydrophobicContact CE1-CB 4.21Å; F83-R139 HydrophobicContact CE1-CB 4.07Å; F83-R139 HydrophobicContact CZ-CB 4.23Å |
| 84 | C | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.4 | -42.7 | 173 | -62.8 | 0 | 0 | 0 | 0 | 111.8 | M80 V81 L82 V87 L88 W114 A142 C165 | M80-C84 PolarHBondContact O-N 2.98Å; M80-C84 PolarHBondContact O-SG 3.45Å; V81-C84 WeakPolarHBondContact O-CB 3.41Å; V81-C84 PolarHBondContact O-N 2.82Å; V81-C84 VanDerWaalsContact O-N 3.12Å; L82-C84 VanDerWaalsContact C-N 3.34Å; L82-C84 PolarHBondContact O-N 3.34Å; C84-V87 PolarHBondContact O-N 3.38Å; C84-L88 PolarHBondContact O-N 3.46Å; C84-W114 HydrophobicContact CB-CH2 4.41Å; C84-W114 HydrophobicContact CB-CZ2 4.33Å; C84-A142 HydrophobicContact CB-CB 3.91Å; C84-C165 VanDerWaalsContact CB-SG 3.57Å |
| 85 | F | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.6 | -44.6 | 171.9 | -87.5 | -73.6 | 0 | 0 | 0 | 112.5 | V81 L82 V87 L88 Y89 W114 F160 L163 C165 V270 Y272 Y275 | V81-F85 HydrophobicContact CG1-CD2 4.41Å; V81-F85 HydrophobicContact CG1-CE2 4.39Å; V81-F85 PolarHBondContact O-N 3.08Å; V81-F85 VanDerWaalsContact O-N 3.09Å; L82-F85 WeakPolarHBondContact O-CB 3.49Å; L82-F85 PolarHBondContact O-N 2.7Å; F85-V87 VanDerWaalsContact C-N 3.34Å; F85-V87 PolarHBondContact O-N 2.89Å; F85-L88 PolarHBondContact O-N 3.5Å; F85-Y89 VanDerWaalsContact O-CB 3.29Å; F85-Y89 WeakPolarHBondContact O-CB 3.31Å; F85-Y89 PolarHBondContact O-N 3.01Å; F85-W114 HydrophobicContact CD1-CH2 4.2Å; F85-W114 AromaticContact CD1-CZ3 3.92Å; F85-W114 HydrophobicContact CD1-CZ3 3.92Å; F85-W114 HydrophobicContact CE1-CH2 4.49Å; F85-W114 AromaticContact CE1-CZ3 3.77Å; F85-W114 HydrophobicContact CE1-CZ3 3.77Å; F85-W114 HydrophobicContact CE2-CZ3 4.49Å; F85-W114 HydrophobicContact CG-CH2 4.35Å; F85-W114 HydrophobicContact CG-CZ3 4.35Å; F85-W114 HydrophobicContact CZ-CZ3 4.07Å; F85-F160 HydrophobicContact CD1-CE2 4.12Å; F85-F160 HydrophobicContact CD1-CZ 4.12Å; F85-L163 HydrophobicContact CE1-CB 4.13Å; F85-C165 HydrophobicContact CD2-CB 3.84Å; F85-C165 HydrophobicContact CE2-CB 3.38Å; F85-C165 HydrophobicContact CZ-CB 3.84Å; F85-V270 HydrophobicContact CE2-CB 4.42Å; F85-V270 HydrophobicContact CE2-CG1 4.38Å; F85-V270 WeakPolarHBondContact CE2-O 3.29Å; F85-Y272 HydrophobicContact CE1-CD2 4.23Å; F85-Y275 HydrophobicContact CB-CD1 4.12Å; F85-Y275 HydrophobicContact CB-CD2 3.39Å; F85-Y275 HydrophobicContact CB-CE1 4.1Å; F85-Y275 HydrophobicContact CB-CE2 3.4Å; F85-Y275 HydrophobicContact CB-CG 3.79Å; F85-Y275 HydrophobicContact CD1-CD1 4.18Å; F85-Y275 HydrophobicContact CD1-CG 4.22Å; F85-Y275 HydrophobicContact CD2-CD2 4.04Å; F85-Y275 AromaticContact CD2-CG 3.98Å; F85-Y275 HydrophobicContact CD2-CG 3.98Å; F85-Y275 HydrophobicContact CG-CD1 4.13Å; F85-Y275 AromaticContact CG-CD2 3.83Å; F85-Y275 HydrophobicContact CG-CD2 3.83Å; F85-Y275 HydrophobicContact CG-CE2 4.29Å; F85-Y275 AromaticContact CG-CG 3.76Å; F85-Y275 HydrophobicContact CG-CG 3.76Å |
| 86 | D | 97 | Very high | 96.1 | Very high | 20 Ų | 20 | 40.1 Ų | 40.1 | 11% | 0.107 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.7 | -46.1 | 176.9 | -74.4 | -22.4 | 0 | 0 | 0 | 110.4 | L82 F83 L88 Y89 H90 P98 Y275 R279 | L82-D86 PolarHBondContact O-N 3.2Å; F83-D86 PolarHBondContact O-N 3.37Å; D86-L88 PolarHBondContact O-N 3.46Å; D86-Y89 PolarHBondContact O-N 3.29Å; D86-H90 PolarHBondContact O-N 3.27Å; D86-H90 PolarHBondContact O-ND1 2.81Å; D86-P98 HydrophobicContact CB-CB 4.28Å; D86-P98 HydrophobicContact CB-CG 4.29Å; D86-Y275 VanDerWaalsContact OD1-CE2 3.3Å; D86-Y275 WeakPolarHBondContact OD1-CE2 3.22Å; D86-Y275 PolarHBondContact OD1-OH 3.21Å; D86-R279 IonicContact OD1-CZ 3.45Å; D86-R279 IonicContact OD1-NE 3.66Å; D86-R279 IonicContact OD1-NH1 3.62Å; D86-R279 PolarHBondContact OD1-NH1 3.19Å; D86-R279 IonicContact OD2-CZ 3.89Å; D86-R279 IonicContact OD2-NH1 3.67Å; D86-R279 PolarHBondContact OD2-NH1 3.2Å |
| 87 | V | 98 | Very high | 96.1 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59 | -47.8 | 177.5 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | F83 C84 F85 H91 P98 R139 A142 L143 | F83-V87 HydrophobicContact CD1-CG2 4.32Å; F83-V87 HydrophobicContact CD2-CG2 4.33Å; F83-V87 HydrophobicContact CE1-CG2 3.96Å; F83-V87 HydrophobicContact CE2-CG2 3.97Å; F83-V87 HydrophobicContact CZ-CG2 3.77Å; F83-V87 WeakPolarHBondContact O-CB 3.44Å; F83-V87 VanDerWaalsContact O-CG2 3.25Å; F83-V87 WeakPolarHBondContact O-CG2 3.2Å; F83-V87 PolarHBondContact O-N 3.17Å; C84-V87 PolarHBondContact O-N 3.38Å; F85-V87 VanDerWaalsContact C-N 3.34Å; F85-V87 PolarHBondContact O-N 2.89Å; V87-H91 WeakPolarHBondContact O-CB 3.36Å; V87-H91 PolarHBondContact O-N 2.9Å; V87-H91 VanDerWaalsContact O-N 3.14Å; V87-P98 HydrophobicContact CB-CG 4.33Å; V87-P98 HydrophobicContact CG2-CG 3.54Å; V87-R139 HydrophobicContact CG1-CG 4.11Å; V87-R139 HydrophobicContact CG2-CB 4.32Å; V87-R139 HydrophobicContact CG2-CG 4.05Å; V87-A142 HydrophobicContact CB-CB 4.46Å; V87-A142 HydrophobicContact CG1-CB 4.2Å; V87-L143 HydrophobicContact CG1-CD1 4.1Å; V87-L143 HydrophobicContact CG1-CD2 3.7Å; V87-L143 HydrophobicContact CG1-CG 3.62Å |
| 88 | L | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.8 | -43.1 | 178.6 | -178.8 | 59 | 0 | 0 | 0 | 111.8 | C84 F85 D86 H91 L92 W114 A146 F147 I155 F160 L163 | C84-L88 PolarHBondContact O-N 3.46Å; F85-L88 PolarHBondContact O-N 3.5Å; D86-L88 PolarHBondContact O-N 3.46Å; L88-H91 PolarHBondContact O-N 3.29Å; L88-L92 HydrophobicContact CD1-CD1 4Å; L88-L92 HydrophobicContact CD1-CG 4.04Å; L88-L92 HydrophobicContact CG-CD1 3.88Å; L88-L92 HydrophobicContact CG-CG 4.36Å; L88-L92 WeakPolarHBondContact O-CG 3.21Å; L88-L92 PolarHBondContact O-N 3.35Å; L88-W114 HydrophobicContact CB-CH2 3.99Å; L88-W114 HydrophobicContact CB-CZ2 3.98Å; L88-W114 HydrophobicContact CD2-CD2 4.25Å; L88-W114 HydrophobicContact CD2-CE3 4.15Å; L88-W114 HydrophobicContact CD2-CH2 3.51Å; L88-W114 HydrophobicContact CD2-CZ2 3.62Å; L88-W114 HydrophobicContact CD2-CZ3 3.77Å; L88-W114 HydrophobicContact CG-CH2 4.4Å; L88-W114 HydrophobicContact CG-CZ2 4.38Å; L88-A146 HydrophobicContact CD1-CB 3.76Å; L88-F147 HydrophobicContact CD1-CE1 4.35Å; L88-F147 HydrophobicContact CD1-CE2 3.67Å; L88-F147 HydrophobicContact CD1-CZ 3.4Å; L88-F147 VanDerWaalsContact CD1-CZ 3.4Å; L88-I155 HydrophobicContact CD2-CG2 4.44Å; L88-F160 HydrophobicContact CB-CE2 4.2Å; L88-F160 HydrophobicContact CD2-CD2 3.89Å; L88-F160 HydrophobicContact CD2-CE2 3.85Å; L88-F160 HydrophobicContact CG-CD2 4.08Å; L88-F160 HydrophobicContact CG-CE2 3.85Å; L88-L163 HydrophobicContact CD2-CD1 3.69Å |
| 89 | Y | 97.1 | Very high | 96 | Very high | 24 Ų | 24 | 48.6 Ų | 48.6 | 9% | 0.094 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.8 | -50.7 | 177.9 | 175.8 | -96.2 | 0 | 0 | 0 | 112.1 | F85 D86 H91 L92 K93 F95 W157 F160 F287 | F85-Y89 VanDerWaalsContact O-CB 3.29Å; F85-Y89 WeakPolarHBondContact O-CB 3.31Å; F85-Y89 PolarHBondContact O-N 3.01Å; D86-Y89 PolarHBondContact O-N 3.29Å; Y89-H91 VanDerWaalsContact C-N 3.27Å; Y89-H91 PolarHBondContact O-N 2.82Å; Y89-L92 PolarHBondContact O-N 3.48Å; Y89-K93 HydrophobicContact CD2-CG 4.27Å; Y89-K93 HydrophobicContact CE1-CG 4.05Å; Y89-K93 HydrophobicContact CE2-CD 4.38Å; Y89-K93 HydrophobicContact CE2-CG 3.75Å; Y89-K93 WeakPolarHBondContact O-CG 3.32Å; Y89-K93 PolarHBondContact O-N 2.95Å; Y89-F95 AromaticContact CE1-CD2 3.93Å; Y89-F95 HydrophobicContact CE1-CD2 3.93Å; Y89-F95 AromaticContact CE1-CE2 3.76Å; Y89-F95 HydrophobicContact CE1-CE2 3.76Å; Y89-W157 AromaticContact CD2-CH2 3.99Å; Y89-W157 HydrophobicContact CD2-CH2 3.99Å; Y89-W157 AromaticContact CD2-CZ3 3.83Å; Y89-W157 HydrophobicContact CD2-CZ3 3.83Å; Y89-W157 AromaticContact CE2-CH2 3.71Å; Y89-W157 HydrophobicContact CE2-CH2 3.71Å; Y89-W157 AromaticContact CE2-CZ3 3.94Å; Y89-W157 HydrophobicContact CE2-CZ3 3.94Å; Y89-F160 AromaticContact CD2-CE1 3.73Å; Y89-F160 HydrophobicContact CD2-CE1 3.73Å; Y89-F160 HydrophobicContact CD2-CZ 4.07Å; Y89-F160 HydrophobicContact CG-CE1 4.47Å; Y89-F160 HydrophobicContact CG-CZ 4.38Å; Y89-F287 AromaticContact CD1-CE1 3.93Å; Y89-F287 HydrophobicContact CD1-CE1 3.93Å; Y89-F287 HydrophobicContact CD2-CD1 4.3Å; Y89-F287 AromaticContact CD2-CE1 3.54Å; Y89-F287 HydrophobicContact CD2-CE1 3.54Å; Y89-F287 HydrophobicContact CD2-CZ 4.26Å; Y89-F287 HydrophobicContact CE1-CD1 4.1Å; Y89-F287 AromaticContact CE1-CE1 3.62Å; Y89-F287 HydrophobicContact CE1-CE1 3.62Å; Y89-F287 AromaticContact CE2-CD1 3.5Å; Y89-F287 HydrophobicContact CE2-CD1 3.5Å; Y89-F287 AromaticContact CE2-CE1 3.18Å; Y89-F287 HydrophobicContact CE2-CE1 3.18Å; Y89-F287 HydrophobicContact CE2-CZ 4.26Å; Y89-F287 AromaticContact CG-CE1 3.91Å; Y89-F287 HydrophobicContact CG-CE1 3.91Å; Y89-F287 AromaticContact CZ-CD1 3.39Å; Y89-F287 AromaticContact CZ-CE1 3.25Å; Y89-F287 WeakPolarHBondContact OH-CD1 3.36Å |
| 90 | H | 97.1 | Very high | 95.8 | Very high | 41 Ų | 41 | 52.6 Ų | 52.6 | 19% | 0.19 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.1 | -39.6 | -179.3 | -71.6 | 70.2 | 0 | 0 | 0 | 110.4 | D86 K93 G94 F95 E96 | D86-H90 PolarHBondContact O-N 3.27Å; D86-H90 PolarHBondContact O-ND1 2.81Å; H90-K93 PolarHBondContact O-N 3.21Å; H90-G94 PolarHBondContact O-N 3.44Å; H90-F95 HydrophobicContact CB-CB 4.07Å; H90-F95 PolarHBondContact O-N 3.33Å; H90-E96 PolarHBondContact CD2-O 2.99Å |
| 91 | H | 96.8 | Very high | 95.6 | Very high | 101 Ų | 101 | 53.4 Ų | 53.4 | 47% | 0.468 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.2 | -49 | 176 | -168.6 | 86 | 0 | 0 | 0 | 112.6 | V87 L88 Y89 K93 G94 L143 F147 | V87-H91 WeakPolarHBondContact O-CB 3.36Å; V87-H91 PolarHBondContact O-N 2.9Å; V87-H91 VanDerWaalsContact O-N 3.14Å; L88-H91 PolarHBondContact O-N 3.29Å; Y89-H91 VanDerWaalsContact C-N 3.27Å; Y89-H91 PolarHBondContact O-N 2.82Å; H91-K93 PolarHBondContact O-N 3.27Å; H91-G94 PolarHBondContact O-N 3.31Å; H91-G94 VanDerWaalsContact O-N 3.11Å; H91-L143 HydrophobicContact CB-CD2 3.64Å; H91-F147 HydrophobicContact CB-CE2 4.43Å; H91-F147 AromaticContact CD2-CE2 3.2Å; H91-F147 WeakPolarHBondContact CD2-CE2 3.43Å; H91-F147 AromaticContact CD2-CZ 3.42Å; H91-F147 VanDerWaalsContact CD2-CZ 3.42Å; H91-F147 WeakPolarHBondContact CD2-CZ 3.24Å; H91-F147 AromaticContact CG-CE2 3.87Å; H91-F147 AromaticContact NE2-CE2 3.7Å |
| 92 | L | 96.2 | Very high | 95.3 | Very high | 44 Ų | 44 | 61.7 Ų | 61.7 | 23% | 0.23 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.1 | -29.1 | -179.7 | -71.3 | 172.3 | 0 | 0 | 0 | 113.1 | L88 Y89 F147 W157 F160 | L88-L92 HydrophobicContact CD1-CD1 4Å; L88-L92 HydrophobicContact CD1-CG 4.04Å; L88-L92 HydrophobicContact CG-CD1 3.88Å; L88-L92 HydrophobicContact CG-CG 4.36Å; L88-L92 WeakPolarHBondContact O-CG 3.21Å; L88-L92 PolarHBondContact O-N 3.35Å; Y89-L92 PolarHBondContact O-N 3.48Å; L92-F147 HydrophobicContact CD2-CE1 4.07Å; L92-F147 HydrophobicContact CD2-CZ 3.87Å; L92-F147 HydrophobicContact CG-CZ 4.31Å; L92-W157 HydrophobicContact CB-CE3 3.9Å; L92-W157 HydrophobicContact CB-CZ3 4.47Å; L92-W157 HydrophobicContact CD1-CE3 4.06Å; L92-F160 HydrophobicContact CD1-CB 4.09Å; L92-F160 HydrophobicContact CD1-CD2 3.53Å; L92-F160 HydrophobicContact CD1-CE2 4.24Å; L92-F160 HydrophobicContact CD1-CG 3.96Å |
| 93 | K | 94.9 | Very high | 95.1 | Very high | 64 Ų | 64 | 62.7 Ų | 62.7 | 28% | 0.278 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -89.1 | -6.3 | 176.5 | -67.5 | -63.7 | -163.8 | -177.9 | 0 | 114 | Y89 H90 H91 F95 W157 E291 | Y89-K93 HydrophobicContact CD2-CG 4.27Å; Y89-K93 HydrophobicContact CE1-CG 4.05Å; Y89-K93 HydrophobicContact CE2-CD 4.38Å; Y89-K93 HydrophobicContact CE2-CG 3.75Å; Y89-K93 WeakPolarHBondContact O-CG 3.32Å; Y89-K93 PolarHBondContact O-N 2.95Å; H90-K93 PolarHBondContact O-N 3.21Å; H91-K93 PolarHBondContact O-N 3.27Å; K93-F95 VanDerWaalsContact C-N 3.29Å; K93-F95 HydrophobicContact CB-CD1 4.22Å; K93-F95 HydrophobicContact CB-CD2 3.69Å; K93-F95 HydrophobicContact CB-CE1 4.17Å; K93-F95 HydrophobicContact CB-CE2 3.63Å; K93-F95 HydrophobicContact CB-CG 3.99Å; K93-F95 HydrophobicContact CB-CZ 3.88Å; K93-F95 HydrophobicContact CG-CD2 4.4Å; K93-F95 HydrophobicContact CG-CE2 4.03Å; K93-F95 HydrophobicContact CG-CZ 4.42Å; K93-W157 HydrophobicContact CD-CE3 4.49Å; K93-W157 HydrophobicContact CD-CH2 4.32Å; K93-W157 HydrophobicContact CD-CZ3 4.23Å; K93-W157 VanDerWaalsContact CE-CZ2 3.43Å; K93-W157 HydrophobicContact CG-CZ3 4.37Å; K93-E291 IonicContact NZ-OE1 2.78Å; K93-E291 PolarHBondContact NZ-OE1 3.11Å |
| 94 | G | 93.7 | Very high | 94.9 | Very high | 69 Ų | 69 | 65.2 Ų | 65.2 | 71% | 0.711 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 27.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H90 H91 | H90-G94 PolarHBondContact O-N 3.44Å; H91-G94 PolarHBondContact O-N 3.31Å; H91-G94 VanDerWaalsContact O-N 3.11Å |
| 95 | F | 94.4 | Very high | 94.8 | Very high | 110 Ų | 110 | 69.1 Ų | 69.1 | 48% | 0.482 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -85.5 | 159.4 | 172.9 | -60.5 | -26.4 | 0 | 0 | 0 | 111.3 | Y89 H90 K93 | Y89-F95 AromaticContact CE1-CD2 3.93Å; Y89-F95 HydrophobicContact CE1-CD2 3.93Å; Y89-F95 AromaticContact CE1-CE2 3.76Å; Y89-F95 HydrophobicContact CE1-CE2 3.76Å; H90-F95 HydrophobicContact CB-CB 4.07Å; H90-F95 PolarHBondContact O-N 3.33Å; K93-F95 VanDerWaalsContact C-N 3.29Å; K93-F95 HydrophobicContact CB-CD1 4.22Å; K93-F95 HydrophobicContact CB-CD2 3.69Å; K93-F95 HydrophobicContact CB-CE1 4.17Å; K93-F95 HydrophobicContact CB-CE2 3.63Å; K93-F95 HydrophobicContact CB-CG 3.99Å; K93-F95 HydrophobicContact CB-CZ 3.88Å; K93-F95 HydrophobicContact CG-CD2 4.4Å; K93-F95 HydrophobicContact CG-CE2 4.03Å; K93-F95 HydrophobicContact CG-CZ 4.42Å |
| 96 | E | 93.5 | Very high | 94.7 | Very high | 159 Ų | 159 | 76.2 Ų | 76.2 | 74% | 0.743 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 147.6 | 170.6 | -72.2 | -58.7 | 132.8 | 0 | 0 | 111.1 | H90 | H90-E96 PolarHBondContact CD2-O 2.99Š|
| 97 | P | 93.5 | Very high | 94.6 | Very high | 87 Ų | 87 | 81.5 Ų | 81.5 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 144.2 | -179.7 | -23.1 | 32.3 | 0 | 0 | 0 | 111.9 | R139 | P97-R139 VanDerWaalsContact CB-NH1 3.3Š|
| 98 | P | 92.9 | Very high | 94.6 | Very high | 15 Ų | 15 | 82.7 Ų | 82.7 | 10% | 0.097 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 150 | -179.9 | 25.4 | -35.2 | 0 | 0 | 0 | 111 | F83 D86 V87 R139 | F83-P98 HydrophobicContact CD2-CG 4.5Å; F83-P98 HydrophobicContact CE2-CB 4.46Å; F83-P98 HydrophobicContact CE2-CG 3.98Å; D86-P98 HydrophobicContact CB-CB 4.28Å; D86-P98 HydrophobicContact CB-CG 4.29Å; V87-P98 HydrophobicContact CB-CG 4.33Å; V87-P98 HydrophobicContact CG2-CG 3.54Å; P98-R139 PolarHBondContact O-NH1 2.92Å; P98-R139 VanDerWaalsContact O-NH1 3.08Å; P98-R139 PolarHBondContact O-NH2 2.9Å |
| 99 | K | 92.2 | Very high | 94.5 | Very high | 192 Ų | 192 | 83.1 Ų | 83.1 | 84% | 0.835 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 159.4 | 175.8 | -64.2 | -179.2 | -177.6 | 175.6 | 0 | 111.3 | ||
| 100 | Q | 90.7 | Very high | 94.5 | Very high | 158 Ų | 158 | 82 Ų | 82 | 74% | 0.738 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -57 | 133.8 | 176.1 | -76.9 | -171.6 | -24.6 | 0 | 0 | 110.8 | ||
| 101 | P | 92.5 | Very high | 94.5 | Very high | 17 Ų | 17 | 81.3 Ų | 81.3 | 11% | 0.11 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 157.5 | -179.7 | 28 | -30.6 | 0 | 0 | 0 | 111.5 | F83 F103 H135 | F83-P101 HydrophobicContact CD1-CG 4.29Å; F83-P101 HydrophobicContact CD2-CB 3.94Å; F83-P101 HydrophobicContact CD2-CG 4.05Å; F83-P101 HydrophobicContact CE1-CG 4.17Å; F83-P101 HydrophobicContact CE2-CB 4.23Å; F83-P101 HydrophobicContact CE2-CG 3.94Å; F83-P101 HydrophobicContact CG-CB 4.2Å; F83-P101 HydrophobicContact CG-CG 4.22Å; F83-P101 HydrophobicContact CZ-CG 3.99Å; P101-F103 HydrophobicContact CB-CD1 3.65Å; P101-F103 HydrophobicContact CB-CE1 3.25Å; P101-F103 HydrophobicContact CB-CE2 4.28Å; P101-F103 HydrophobicContact CB-CG 4.34Å; P101-F103 HydrophobicContact CB-CZ 3.59Å; P101-F103 HydrophobicContact CG-CD1 4.41Å; P101-F103 HydrophobicContact CG-CE1 3.75Å; P101-F103 HydrophobicContact CG-CE2 4Å; P101-F103 HydrophobicContact CG-CZ 3.5Å; P101-F103 VanDerWaalsContact CG-CZ 3.5Å; P101-H135 HydrophobicContact CG-CB 4.34Å; P101-H135 PolarHBondContact O-CE1 2.86Å |
| 102 | L | 91.6 | Very high | 94.5 | Very high | 174 Ų | 174 | 76.5 Ų | 76.5 | 91% | 0.911 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -93.7 | -6.9 | -176.3 | -59.8 | 177.8 | 0 | 0 | 0 | 114 | ||
| 103 | F | 93.2 | Very high | 94.6 | Very high | 28 Ų | 28 | 74.8 Ų | 74.8 | 12% | 0.123 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -75.5 | 165.5 | 177.3 | 57.3 | -107.5 | 0 | 0 | 0 | 111.5 | E79 M80 F83 P101 N105 L134 H135 L138 | E79-F103 HydrophobicContact CB-CB 4.42Å; E79-F103 HydrophobicContact CB-CD1 3.69Å; E79-F103 HydrophobicContact CB-CE1 4.43Å; E79-F103 HydrophobicContact CB-CG 4.45Å; E79-F103 WeakPolarHBondContact O-CE1 3.33Å; M80-F103 HydrophobicContact CB-CZ 4.41Å; M80-F103 HydrophobicContact CE-CD2 4.24Å; M80-F103 HydrophobicContact CG-CD1 4.36Å; M80-F103 HydrophobicContact CG-CD2 3.98Å; M80-F103 HydrophobicContact CG-CE1 4.25Å; M80-F103 HydrophobicContact CG-CE2 3.9Å; M80-F103 HydrophobicContact CG-CG 4.23Å; M80-F103 HydrophobicContact CG-CZ 4.05Å; F83-F103 HydrophobicContact CB-CE1 3.77Å; F83-F103 HydrophobicContact CB-CZ 4.18Å; F83-F103 HydrophobicContact CD1-CE1 4.47Å; F83-F103 HydrophobicContact CD1-CZ 4.07Å; F83-F103 HydrophobicContact CG-CE1 4.17Å; F83-F103 HydrophobicContact CG-CZ 4.23Å; P101-F103 HydrophobicContact CB-CD1 3.65Å; P101-F103 HydrophobicContact CB-CE1 3.25Å; P101-F103 HydrophobicContact CB-CE2 4.28Å; P101-F103 HydrophobicContact CB-CG 4.34Å; P101-F103 HydrophobicContact CB-CZ 3.59Å; P101-F103 HydrophobicContact CG-CD1 4.41Å; P101-F103 HydrophobicContact CG-CE1 3.75Å; P101-F103 HydrophobicContact CG-CE2 4Å; P101-F103 HydrophobicContact CG-CZ 3.5Å; P101-F103 VanDerWaalsContact CG-CZ 3.5Å; F103-N105 PolarHBondContact O-N 3.47Å; F103-L134 HydrophobicContact CE2-CB 4.33Å; F103-H135 AromaticContact CD2-NE2 3.97Å; F103-H135 AromaticContact CE2-CD2 3.63Å; F103-H135 AromaticContact CE2-NE2 3.97Å; F103-H135 PolarHBondContact O-NE2 3.04Å; F103-L138 HydrophobicContact CE2-CD1 3.92Å; F103-L138 HydrophobicContact CZ-CD1 3.73Å |
| 104 | V | 93.1 | Very high | 94.8 | Very high | 62 Ų | 62 | 71.7 Ų | 71.7 | 38% | 0.376 | 37% | 0.365 | S | S | . | . | trans | -49 | 131.1 | -179.5 | 54.7 | 0 | 0 | 0 | 0 | 113.1 | M80 R106 L134 | M80-V104 HydrophobicContact CE-CG1 4.02Å; V104-R106 HydrophobicContact CG2-CB 4.21Å; V104-R106 HydrophobicContact CG2-CG 3.59Å; V104-L134 HydrophobicContact CG1-CD1 4.48Å; V104-L134 VanDerWaalsContact O-CD1 3.3Å; V104-L134 WeakPolarHBondContact O-CD1 3.36Å | ||
| 105 | N | 95.9 | Very high | 95 | Very high | 81 Ų | 81 | 70 Ų | 70 | 43% | 0.433 | 34% | 0.338 | S | S | . | . | trans | -106.6 | 62.2 | 178.3 | -163.1 | 27.1 | 0 | 0 | 0 | 112.4 | F103 L134 H135 | F103-N105 PolarHBondContact O-N 3.47Å; N105-L134 PolarHBondContact OD1-N 3.47Å; N105-H135 WeakPolarHBondContact CB-NE2 3.03Å; N105-H135 VanDerWaalsContact CG-CD2 3.44Å; N105-H135 WeakPolarHBondContact OD1-CB 3.14Å; N105-H135 PolarHBondContact OD1-CD2 2.94Å; N105-H135 PolarHBondContact OD1-N 3.45Å | ||
| 106 | R | 95.4 | Very high | 95.1 | Very high | 150 Ų | 150 | 65.9 Ų | 65.9 | 57% | 0.566 | 32% | 0.322 | S | S | * | . | trans | -84.9 | 171.3 | 172.1 | -77.4 | 172.9 | -169.9 | 177 | 5.1 | 110.4 | V104 F108 L134 | V104-R106 HydrophobicContact CG2-CB 4.21Å; V104-R106 HydrophobicContact CG2-CG 3.59Å; R106-F108 HydrophobicContact CB-CD2 4.08Å; R106-F108 HydrophobicContact CB-CE2 3.49Å; R106-F108 VanDerWaalsContact CB-CE2 3.49Å; R106-F108 HydrophobicContact CB-CZ 4.4Å; R106-L134 HydrophobicContact CB-CD1 4.36Å; R106-L134 VanDerWaalsContact O-CG 3.26Å; R106-L134 WeakPolarHBondContact O-CG 3.46Å; R106-L134 PolarHBondContact O-N 3.45Å | ||
| 107 | E | 96.7 | Very high | 95.2 | Very high | 131 Ų | 131 | 59.5 Ų | 59.5 | 61% | 0.612 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 128.7 | 177 | -57.6 | -172 | 153.3 | 0 | 0 | 111.2 | T132 | E107-T132 VanDerWaalsContact CA-O 3.24Å; E107-T132 WeakPolarHBondContact CA-O 3.46Å |
| 108 | F | 96.9 | Very high | 95.2 | Very high | 30 Ų | 30 | 64.9 Ų | 64.9 | 13% | 0.132 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 144.7 | 176.6 | -70.8 | -85.4 | 0 | 0 | 0 | 109.8 | V75 R106 T132 L134 L169 M171 | V75-F108 HydrophobicContact CB-CZ 4.41Å; V75-F108 HydrophobicContact CG1-CE2 3.64Å; V75-F108 HydrophobicContact CG1-CZ 3.75Å; V75-F108 HydrophobicContact CG2-CZ 4.25Å; R106-F108 HydrophobicContact CB-CD2 4.08Å; R106-F108 HydrophobicContact CB-CE2 3.49Å; R106-F108 VanDerWaalsContact CB-CE2 3.49Å; R106-F108 HydrophobicContact CB-CZ 4.4Å; F108-T132 PolarHBondContact N-O 3.46Å; F108-T132 PolarHBondContact O-N 3.32Å; F108-T132 VanDerWaalsContact O-N 3.17Å; F108-L134 HydrophobicContact CD2-CD1 4Å; F108-L134 HydrophobicContact CD2-CD2 4.12Å; F108-L134 HydrophobicContact CD2-CG 4.06Å; F108-L134 HydrophobicContact CE2-CD1 4.26Å; F108-L169 HydrophobicContact CB-CB 4.47Å; F108-L169 HydrophobicContact CB-CD2 4.26Å; F108-L169 HydrophobicContact CD2-CD1 4.28Å; F108-L169 HydrophobicContact CG-CB 4.49Å; F108-L169 HydrophobicContact CG-CD1 4.39Å; F108-M171 HydrophobicContact CE1-CE 4.48Å |
| 109 | P | 96.3 | Very high | 95.2 | Very high | 8 Ų | 8 | 71.6 Ų | 71.6 | 5% | 0.052 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 133.5 | 155.5 | -12.6 | 28.1 | 0 | 0 | 0 | 108.3 | T128 F129 L170 F173 | P109-T128 CarbonylContact C-O 3.45Å; P109-T128 WeakPolarHBondContact CA-O 3.37Å; P109-T128 VanDerWaalsContact CB-O 3.25Å; P109-T128 WeakPolarHBondContact CB-O 3.33Å; P109-F129 WeakPolarHBondContact CG-O 3.21Å; P109-L170 HydrophobicContact CB-CB 4.14Å; P109-L170 HydrophobicContact CB-CD1 4.43Å; P109-L170 HydrophobicContact CB-CG 4.47Å; P109-L170 PolarHBondContact O-N 2.92Å; P109-F173 HydrophobicContact CB-CZ 4.44Å; P109-F173 HydrophobicContact CG-CE2 3.88Å; P109-F173 HydrophobicContact CG-CZ 4.24Å |
| 110 | L | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 154.7 | -171 | 70.7 | 82.2 | 0 | 0 | 0 | 112.2 | V112 G127 T128 T132 L134 L138 Y141 S168 L169 | L110-V112 HydrophobicContact CD1-CG2 4.14Å; L110-G127 CarbonylContact O-C 3.54Å; L110-G127 WeakPolarHBondContact O-CA 3.46Å; L110-T128 PolarHBondContact N-O 3.46Å; L110-T128 PolarHBondContact O-N 3.05Å; L110-T132 HydrophobicContact CD2-CG2 3.92Å; L110-T132 HydrophobicContact CG-CG2 4.18Å; L110-L134 HydrophobicContact CD2-CD2 4.17Å; L110-L138 HydrophobicContact CD1-CD2 4.19Å; L110-L138 HydrophobicContact CD2-CD2 4.13Å; L110-L138 HydrophobicContact CD2-CG 4.21Å; L110-Y141 HydrophobicContact CD1-CD2 3.57Å; L110-Y141 HydrophobicContact CD1-CG 4.07Å; L110-Y141 HydrophobicContact CG-CD2 4.28Å; L110-S168 CarbonylContact C-O 3.56Å; L110-S168 VanDerWaalsContact CA-O 3.24Å; L110-S168 WeakPolarHBondContact CA-O 3.24Å; L110-L169 HydrophobicContact CB-CD2 3.76Å |
| 111 | F | 96.9 | Very high | 95.5 | Very high | 27 Ų | 27 | 67.2 Ų | 67.2 | 12% | 0.118 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 138.5 | 173.2 | -78.3 | -104.5 | 0 | 0 | 0 | 109.6 | F129 S168 L170 | F111-F129 HydrophobicContact CE2-CD2 4.48Å; F111-F129 HydrophobicContact CE2-CE1 4.27Å; F111-F129 AromaticContact CE2-CE2 3.93Å; F111-F129 HydrophobicContact CE2-CE2 3.93Å; F111-F129 AromaticContact CE2-CZ 3.74Å; F111-F129 HydrophobicContact CE2-CZ 3.74Å; F111-F129 HydrophobicContact CZ-CD2 4.28Å; F111-F129 AromaticContact CZ-CE2 3.55Å; F111-F129 HydrophobicContact CZ-CE2 3.55Å; F111-F129 AromaticContact CZ-CZ 3.69Å; F111-F129 HydrophobicContact CZ-CZ 3.69Å; F111-S168 PolarHBondContact N-O 3.36Å; F111-S168 PolarHBondContact O-N 2.61Å; F111-L170 HydrophobicContact CD2-CD1 3.88Å; F111-L170 HydrophobicContact CD2-CD2 4.5Å; F111-L170 HydrophobicContact CD2-CG 4.27Å; F111-L170 HydrophobicContact CE2-CD1 3.7Å |
| 112 | V | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128.3 | 168.4 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | L110 C125 I126 L138 A142 S145 S166 | L110-V112 HydrophobicContact CD1-CG2 4.14Å; V112-C125 WeakPolarHBondContact O-CA 3.3Å; V112-I126 PolarHBondContact N-O 3.34Å; V112-I126 PolarHBondContact O-N 3.36Å; V112-I126 VanDerWaalsContact O-N 3.16Å; V112-L138 HydrophobicContact CG2-CD2 4.15Å; V112-A142 HydrophobicContact CG1-CB 4.42Å; V112-S145 VanDerWaalsContact O-CB 3.27Å; V112-S145 WeakPolarHBondContact O-CB 3.41Å; V112-S166 WeakPolarHBondContact CA-O 3.39Å |
| 113 | T | 97.8 | Very high | 95.9 | Very high | 8 Ų | 8 | 63 Ų | 63 | 5% | 0.049 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 126.8 | -177.8 | -59.2 | 0 | 0 | 0 | 0 | 109.6 | E115 L122 G124 C125 C165 S166 | T113-E115 HydrophobicContact CG2-CG 4.23Å; T113-L122 HydrophobicContact CG2-CD1 3.49Å; T113-L122 VanDerWaalsContact CG2-CD1 3.49Å; T113-G124 CarbonylContact C-O 3.49Å; T113-G124 WeakPolarHBondContact CA-O 3.47Å; T113-C125 HydrophobicContact CG2-CB 4.09Å; T113-C125 PolarHBondContact OG1-SG 3.48Å; T113-C165 CarbonylContact O-C 3.58Å; T113-C165 WeakPolarHBondContact O-CA 3.26Å; T113-S166 PolarHBondContact N-O 3.2Å; T113-S166 PolarHBondContact O-N 3.34Å |
| 114 | W | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 132.7 | 170.2 | -62.9 | 104.8 | 0 | 0 | 0 | 109.6 | C84 F85 L88 R123 G124 A142 S145 I155 L163 H164 C165 | C84-W114 HydrophobicContact CB-CH2 4.41Å; C84-W114 HydrophobicContact CB-CZ2 4.33Å; F85-W114 HydrophobicContact CD1-CH2 4.2Å; F85-W114 AromaticContact CD1-CZ3 3.92Å; F85-W114 HydrophobicContact CD1-CZ3 3.92Å; F85-W114 HydrophobicContact CE1-CH2 4.49Å; F85-W114 AromaticContact CE1-CZ3 3.77Å; F85-W114 HydrophobicContact CE1-CZ3 3.77Å; F85-W114 HydrophobicContact CE2-CZ3 4.49Å; F85-W114 HydrophobicContact CG-CH2 4.35Å; F85-W114 HydrophobicContact CG-CZ3 4.35Å; F85-W114 HydrophobicContact CZ-CZ3 4.07Å; L88-W114 HydrophobicContact CB-CH2 3.99Å; L88-W114 HydrophobicContact CB-CZ2 3.98Å; L88-W114 HydrophobicContact CD2-CD2 4.25Å; L88-W114 HydrophobicContact CD2-CE3 4.15Å; L88-W114 HydrophobicContact CD2-CH2 3.51Å; L88-W114 HydrophobicContact CD2-CZ2 3.62Å; L88-W114 HydrophobicContact CD2-CZ3 3.77Å; L88-W114 HydrophobicContact CG-CH2 4.4Å; L88-W114 HydrophobicContact CG-CZ2 4.38Å; W114-R123 HydrophobicContact CB-CB 4.32Å; W114-R123 WeakPolarHBondContact O-CA 3.43Å; W114-R123 WeakPolarHBondContact O-CB 3.25Å; W114-R123 PolarHBondContact O-N 2.59Å; W114-G124 PolarHBondContact N-O 3.34Å; W114-G124 PolarHBondContact O-N 2.97Å; W114-G124 VanDerWaalsContact O-N 3.13Å; W114-A142 HydrophobicContact CZ2-CB 4.37Å; W114-A142 PolarHBondContact NE1-O 2.87Å; W114-A142 VanDerWaalsContact NE1-O 3.1Å; W114-S145 PolarHBondContact NE1-OG 2.82Å; W114-I155 HydrophobicContact CB-CD1 3.72Å; W114-I155 HydrophobicContact CD2-CD1 4.3Å; W114-I155 HydrophobicContact CG-CD1 3.71Å; W114-L163 HydrophobicContact CE3-CB 4.19Å; W114-L163 HydrophobicContact CE3-CD1 3.95Å; W114-L163 HydrophobicContact CZ3-CB 4.43Å; W114-L163 HydrophobicContact CZ3-CD1 4.16Å; W114-H164 WeakPolarHBondContact CA-O 3.49Å; W114-C165 HydrophobicContact CE3-CB 3.8Å; W114-C165 HydrophobicContact CH2-CB 3.87Å; W114-C165 HydrophobicContact CZ3-CB 3.43Å; W114-C165 VanDerWaalsContact CZ3-CB 3.43Å |
| 115 | E | 98.1 | Very high | 96.2 | Very high | 34 Ų | 34 | 59.7 Ų | 59.7 | 16% | 0.159 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 153.9 | 172 | -62.1 | 165.6 | 137.2 | 0 | 0 | 108.7 | T113 K120 K121 L163 H164 | T113-E115 HydrophobicContact CG2-CG 4.23Å; E115-K120 HydrophobicContact CB-CB 4.06Å; E115-K120 HydrophobicContact CG-CB 4.44Å; E115-K121 CarbonylContact C-O 3.52Å; E115-K121 WeakPolarHBondContact CA-O 3.44Å; E115-L163 CarbonylContact O-C 3.58Å; E115-L163 VanDerWaalsContact O-CA 3.31Å; E115-L163 WeakPolarHBondContact O-CA 3.47Å; E115-H164 HydrophobicContact CB-CB 4.23Å; E115-H164 PolarHBondContact N-O 3.41Å; E115-H164 PolarHBondContact O-N 3.4Å |
| 116 | V | 97.5 | Very high | 96.2 | Very high | 23 Ų | 23 | 58.1 Ų | 58.1 | 14% | 0.139 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 141.3 | -177.1 | 68.1 | 0 | 0 | 0 | 0 | 112 | K121 R123 E159 R162 L163 | V116-K121 HydrophobicContact CG1-CB 4.32Å; V116-K121 PolarHBondContact N-O 2.86Å; V116-K121 PolarHBondContact O-N 3.28Å; V116-R123 HydrophobicContact CB-CB 4.28Å; V116-R123 HydrophobicContact CB-CG 4.38Å; V116-R123 HydrophobicContact CG1-CB 4.16Å; V116-R123 HydrophobicContact CG1-CG 4.29Å; V116-E159 HydrophobicContact CG2-CB 4.31Å; V116-R162 HydrophobicContact CG2-CB 3.95Å; V116-L163 HydrophobicContact CB-CD2 4.07Å; V116-L163 HydrophobicContact CG2-CD2 4.21Å |
| 117 | G | 95.5 | Very high | 96.1 | Very high | 25 Ų | 25 | 51.9 Ų | 51.9 | 26% | 0.258 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | -178.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114 | D119 K120 R162 | G117-D119 VanDerWaalsContact C-N 3.31Å; G117-D119 PolarHBondContact O-N 3.09Å; G117-K120 PolarHBondContact O-N 3.26Å; G117-K120 VanDerWaalsContact O-N 3.15Å; G117-R162 PolarHBondContact N-O 2.86Å |
| 118 | K | 92.7 | Very high | 96 | Very high | 199 Ų | 199 | 46.8 Ų | 46.8 | 87% | 0.865 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -34.8 | -174.1 | -65 | -178 | 179.4 | 179.4 | 0 | 112.8 | K120 | K118-K120 PolarHBondContact O-N 3.12Š|
| 119 | D | 92.9 | Very high | 95.8 | Very high | 157 Ų | 157 | 48 Ų | 48 | 84% | 0.84 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 3.3 | 179.4 | -51.1 | -38.4 | 0 | 0 | 0 | 112.4 | G117 K121 | G117-D119 VanDerWaalsContact C-N 3.31Å; G117-D119 PolarHBondContact O-N 3.09Å; D119-K121 VanDerWaalsContact C-N 3.33Å; D119-K121 PolarHBondContact O-N 3.21Å |
| 120 | K | 93.7 | Very high | 95.7 | Very high | 102 Ų | 102 | 52.5 Ų | 52.5 | 44% | 0.443 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 49.6 | -179.1 | -60.1 | -177.2 | -179.5 | 179.2 | 0 | 112.8 | E115 G117 K118 L122 | E115-K120 HydrophobicContact CB-CB 4.06Å; E115-K120 HydrophobicContact CG-CB 4.44Å; G117-K120 PolarHBondContact O-N 3.26Å; G117-K120 VanDerWaalsContact O-N 3.15Å; K118-K120 PolarHBondContact O-N 3.12Å; K120-L122 PolarHBondContact O-N 3.5Å |
| 121 | K | 95 | Very high | 95.5 | Very high | 156 Ų | 156 | 55.7 Ų | 55.7 | 68% | 0.678 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 128.7 | 178.3 | -176.6 | 179.9 | 178.1 | -177.6 | 0 | 109.6 | E115 V116 D119 R123 | E115-K121 CarbonylContact C-O 3.52Å; E115-K121 WeakPolarHBondContact CA-O 3.44Å; V116-K121 HydrophobicContact CG1-CB 4.32Å; V116-K121 PolarHBondContact N-O 2.86Å; V116-K121 PolarHBondContact O-N 3.28Å; D119-K121 VanDerWaalsContact C-N 3.33Å; D119-K121 PolarHBondContact O-N 3.21Å; K121-R123 PolarHBondContact O-N 2.9Å |
| 122 | L | 95.3 | Very high | 95.4 | Very high | 66 Ų | 66 | 55.4 Ų | 55.4 | 35% | 0.346 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 126.3 | 176.4 | -173.3 | 65.1 | 0 | 0 | 0 | 110.7 | T113 K120 C125 F152 | T113-L122 HydrophobicContact CG2-CD1 3.49Å; T113-L122 VanDerWaalsContact CG2-CD1 3.49Å; K120-L122 PolarHBondContact O-N 3.5Å; L122-C125 HydrophobicContact CD1-CB 4.06Å; L122-F152 HydrophobicContact CB-CZ 4.35Å; L122-F152 HydrophobicContact CD2-CE2 4.45Å; L122-F152 HydrophobicContact CD2-CZ 3.87Å; L122-F152 HydrophobicContact CG-CE2 4.33Å; L122-F152 HydrophobicContact CG-CZ 3.76Å; L122-F152 VanDerWaalsContact O-CE1 3.26Å; L122-F152 WeakPolarHBondContact O-CE1 3.01Å |
| 123 | R | 96.8 | Very high | 95.4 | Very high | 35 Ų | 35 | 56.5 Ų | 56.5 | 13% | 0.132 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | -18.8 | -175.2 | -170.3 | 61.7 | -172.8 | 87.3 | -2.9 | 113.4 | W114 V116 K121 F152 D153 P154 I155 E159 L163 | W114-R123 HydrophobicContact CB-CB 4.32Å; W114-R123 WeakPolarHBondContact O-CA 3.43Å; W114-R123 WeakPolarHBondContact O-CB 3.25Å; W114-R123 PolarHBondContact O-N 2.59Å; V116-R123 HydrophobicContact CB-CB 4.28Å; V116-R123 HydrophobicContact CB-CG 4.38Å; V116-R123 HydrophobicContact CG1-CB 4.16Å; V116-R123 HydrophobicContact CG1-CG 4.29Å; K121-R123 PolarHBondContact O-N 2.9Å; R123-F152 VanDerWaalsContact NH1-CB 3.28Å; R123-F152 WeakPolarHBondContact O-CB 3.43Å; R123-F152 WeakPolarHBondContact O-CD2 3.29Å; R123-F152 VanDerWaalsContact O-CG 3.29Å; R123-F152 WeakPolarHBondContact O-CG 3.1Å; R123-D153 PolarHBondContact NH1-O 3.27Å; R123-D153 PolarHBondContact NH2-O 3.24Å; R123-P154 PolarHBondContact NH2-O 2.95Å; R123-I155 HydrophobicContact CG-CD1 3.92Å; R123-I155 HydrophobicContact CG-CG1 3.85Å; R123-E159 WeakPolarHBondContact CD-OE2 3.16Å; R123-E159 IonicContact CZ-OE1 3.18Å; R123-E159 VanDerWaalsContact CZ-OE1 3.26Å; R123-E159 IonicContact CZ-OE2 2.9Å; R123-E159 VanDerWaalsContact NE-CD 3.31Å; R123-E159 IonicContact NE-OE1 2.68Å; R123-E159 PolarHBondContact NE-OE1 2.86Å; R123-E159 IonicContact NE-OE2 2.85Å; R123-E159 PolarHBondContact NE-OE2 2.8Å; R123-E159 IonicContact NH2-OE1 3.85Å; R123-E159 PolarHBondContact NH2-OE1 3.18Å; R123-L163 HydrophobicContact CG-CD2 4.44Å |
| 124 | G | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.4 | 143.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | T113 W114 S145 | T113-G124 CarbonylContact C-O 3.49Å; T113-G124 WeakPolarHBondContact CA-O 3.47Å; W114-G124 PolarHBondContact N-O 3.34Å; W114-G124 PolarHBondContact O-N 2.97Å; W114-G124 VanDerWaalsContact O-N 3.13Å; G124-S145 VanDerWaalsContact CA-O 3.31Å; G124-S145 WeakPolarHBondContact CA-O 3.22Å |
| 125 | C | 95.8 | Very high | 95.3 | Very high | 21 Ų | 21 | 57.3 Ų | 57.3 | 14% | 0.142 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 113.9 | 173.6 | 174.4 | 0 | 0 | 0 | 0 | 110.1 | V112 T113 L122 D149 R151 | V112-C125 WeakPolarHBondContact O-CA 3.3Å; T113-C125 HydrophobicContact CG2-CB 4.09Å; T113-C125 PolarHBondContact OG1-SG 3.48Å; L122-C125 HydrophobicContact CD1-CB 4.06Å; C125-D149 PolarHBondContact N-OD2 2.9Å; C125-R151 PolarHBondContact O-NH2 3.15Å |
| 126 | I | 95.8 | Very high | 95.3 | Very high | 49 Ų | 49 | 61.2 Ų | 61.2 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 147.9 | 178.7 | -58 | -69.2 | 0 | 0 | 0 | 108.3 | V112 Y141 A144 D149 | V112-I126 PolarHBondContact N-O 3.34Å; V112-I126 PolarHBondContact O-N 3.36Å; V112-I126 VanDerWaalsContact O-N 3.16Å; I126-Y141 HydrophobicContact CG2-CD1 3.89Å; I126-Y141 HydrophobicContact CG2-CE1 4.2Å; I126-A144 HydrophobicContact CB-CB 4.47Å; I126-A144 HydrophobicContact CG2-CB 4.13Å; I126-D149 HydrophobicContact CD1-CB 3.94Å; I126-D149 HydrophobicContact CG1-CB 3.82Å |
| 127 | G | 94.6 | Very high | 95.3 | Very high | 19 Ų | 19 | 60.1 Ų | 60.1 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | -165.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L110 | L110-G127 CarbonylContact O-C 3.54Å; L110-G127 WeakPolarHBondContact O-CA 3.46Å |
| 128 | T | 94.3 | Very high | 95.4 | Very high | 24 Ų | 24 | 58.9 Ų | 58.9 | 15% | 0.147 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 151.3 | -179 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | P109 L110 T130 T132 Y141 | P109-T128 CarbonylContact C-O 3.45Å; P109-T128 WeakPolarHBondContact CA-O 3.37Å; P109-T128 VanDerWaalsContact CB-O 3.25Å; P109-T128 WeakPolarHBondContact CB-O 3.33Å; L110-T128 PolarHBondContact N-O 3.46Å; L110-T128 PolarHBondContact O-N 3.05Å; T128-T130 WeakPolarHBondContact CG2-O 3.26Å; T128-T130 PolarHBondContact OG1-N 3.17Å; T128-T132 HydrophobicContact CG2-CG2 4.04Å; T128-Y141 VanDerWaalsContact CB-OH 3.24Å; T128-Y141 WeakPolarHBondContact CB-OH 3.34Å; T128-Y141 HydrophobicContact CG2-CD2 4.38Å; T128-Y141 HydrophobicContact CG2-CE2 3.44Å; T128-Y141 VanDerWaalsContact CG2-CE2 3.44Å; T128-Y141 WeakPolarHBondContact CG2-OH 3.48Å |
| 129 | F | 92.3 | Very high | 95.6 | Very high | 56 Ų | 56 | 52.4 Ų | 52.4 | 25% | 0.246 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -6.4 | 169.4 | -71.3 | -78.9 | 0 | 0 | 0 | 112.9 | P109 F111 L170 F173 T220 F263 | P109-F129 WeakPolarHBondContact CG-O 3.21Å; F111-F129 HydrophobicContact CE2-CD2 4.48Å; F111-F129 HydrophobicContact CE2-CE1 4.27Å; F111-F129 AromaticContact CE2-CE2 3.93Å; F111-F129 HydrophobicContact CE2-CE2 3.93Å; F111-F129 AromaticContact CE2-CZ 3.74Å; F111-F129 HydrophobicContact CE2-CZ 3.74Å; F111-F129 HydrophobicContact CZ-CD2 4.28Å; F111-F129 AromaticContact CZ-CE2 3.55Å; F111-F129 HydrophobicContact CZ-CE2 3.55Å; F111-F129 AromaticContact CZ-CZ 3.69Å; F111-F129 HydrophobicContact CZ-CZ 3.69Å; F129-L170 HydrophobicContact CD1-CD1 3.81Å; F129-L170 HydrophobicContact CE1-CD1 3.38Å; F129-L170 HydrophobicContact CZ-CD1 4.09Å; F129-F173 AromaticContact CD1-CE1 4Å; F129-F173 HydrophobicContact CD1-CE1 4Å; F129-F173 HydrophobicContact CD1-CZ 4.12Å; F129-F173 HydrophobicContact CE1-CE1 4.48Å; F129-T220 HydrophobicContact CE1-CG2 3.44Å; F129-T220 VanDerWaalsContact CE1-CG2 3.44Å; F129-T220 HydrophobicContact CE2-CG2 4.01Å; F129-T220 WeakPolarHBondContact CE2-OG1 3.37Å; F129-T220 HydrophobicContact CZ-CG2 3.07Å; F129-T220 WeakPolarHBondContact CZ-OG1 3.48Å; F129-F263 HydrophobicContact CE1-CE1 4.15Å; F129-F263 HydrophobicContact CE1-CZ 4.11Å |
| 130 | T | 93.7 | Very high | 95.9 | Very high | 102 Ų | 102 | 49.6 Ų | 49.6 | 63% | 0.626 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 134.1 | 173.8 | -56 | 0 | 0 | 0 | 0 | 109.2 | T128 T132 | T128-T130 WeakPolarHBondContact CG2-O 3.26Å; T128-T130 PolarHBondContact OG1-N 3.17Å; T130-T132 PolarHBondContact O-N 3.32Å |
| 131 | S | 93.9 | Very high | 96.1 | Very high | 66 Ų | 66 | 46.5 Ų | 46.5 | 46% | 0.462 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 127.9 | 174.6 | -59.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 132 | T | 94.9 | Very high | 96.3 | Very high | 21 Ų | 21 | 39 Ų | 39 | 13% | 0.129 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 149.9 | 174.4 | 178.4 | 0 | 0 | 0 | 0 | 109.2 | E107 F108 L110 T128 T130 L134 Y141 | E107-T132 VanDerWaalsContact CA-O 3.24Å; E107-T132 WeakPolarHBondContact CA-O 3.46Å; F108-T132 PolarHBondContact N-O 3.46Å; F108-T132 PolarHBondContact O-N 3.32Å; F108-T132 VanDerWaalsContact O-N 3.17Å; L110-T132 HydrophobicContact CD2-CG2 3.92Å; L110-T132 HydrophobicContact CG-CG2 4.18Å; T128-T132 HydrophobicContact CG2-CG2 4.04Å; T130-T132 PolarHBondContact O-N 3.32Å; T132-L134 PolarHBondContact O-N 3.25Å; T132-Y141 HydrophobicContact CG2-CE2 4.24Å |
| 133 | S | 97.1 | Very high | 96.4 | Very high | 23 Ų | 23 | 38.1 Ų | 38.1 | 16% | 0.161 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 133.5 | 172 | 74.5 | 0 | 0 | 0 | 0 | 110.1 | H135 Q136 G137 | S133-H135 PolarHBondContact O-N 3.47Å; S133-Q136 PolarHBondContact O-N 3.2Å; S133-Q136 WeakPolarHBondContact OG-CB 3.43Å; S133-Q136 PolarHBondContact OG-N 2.95Å; S133-G137 PolarHBondContact O-N 3.25Å |
| 134 | L | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.5 | -39.8 | -177.6 | -77 | 167.2 | 0 | 0 | 0 | 111.6 | M80 F103 V104 N105 R106 F108 L110 T132 L138 L169 | M80-L134 HydrophobicContact CE-CD1 3.75Å; M80-L134 HydrophobicContact SD-CD2 4.34Å; F103-L134 HydrophobicContact CE2-CB 4.33Å; V104-L134 HydrophobicContact CG1-CD1 4.48Å; V104-L134 VanDerWaalsContact O-CD1 3.3Å; V104-L134 WeakPolarHBondContact O-CD1 3.36Å; N105-L134 PolarHBondContact OD1-N 3.47Å; R106-L134 HydrophobicContact CB-CD1 4.36Å; R106-L134 VanDerWaalsContact O-CG 3.26Å; R106-L134 WeakPolarHBondContact O-CG 3.46Å; R106-L134 PolarHBondContact O-N 3.45Å; F108-L134 HydrophobicContact CD2-CD1 4Å; F108-L134 HydrophobicContact CD2-CD2 4.12Å; F108-L134 HydrophobicContact CD2-CG 4.06Å; F108-L134 HydrophobicContact CE2-CD1 4.26Å; L110-L134 HydrophobicContact CD2-CD2 4.17Å; T132-L134 PolarHBondContact O-N 3.25Å; L134-L138 HydrophobicContact CB-CD1 4.42Å; L134-L138 HydrophobicContact CD2-CD1 4.47Å; L134-L138 WeakPolarHBondContact O-CB 3.33Å; L134-L138 WeakPolarHBondContact O-CD1 3.45Å; L134-L138 WeakPolarHBondContact O-CG 3.44Å; L134-L138 PolarHBondContact O-N 3.43Å; L134-L169 HydrophobicContact CD2-CD1 4.04Å; L134-L169 HydrophobicContact CD2-CD2 3.48Å; L134-L169 VanDerWaalsContact CD2-CD2 3.48Å; L134-L169 HydrophobicContact CD2-CG 4.43Å |
| 135 | H | 97.4 | Very high | 96.5 | Very high | 26 Ų | 26 | 37 Ų | 37 | 12% | 0.12 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.7 | -45.8 | -178.8 | -70.2 | -161.7 | 0 | 0 | 0 | 112.4 | P101 F103 N105 S133 | P101-H135 HydrophobicContact CG-CB 4.34Å; P101-H135 PolarHBondContact O-CE1 2.86Å; F103-H135 AromaticContact CD2-NE2 3.97Å; F103-H135 AromaticContact CE2-CD2 3.63Å; F103-H135 AromaticContact CE2-NE2 3.97Å; F103-H135 PolarHBondContact O-NE2 3.04Å; N105-H135 WeakPolarHBondContact CB-NE2 3.03Å; N105-H135 VanDerWaalsContact CG-CD2 3.44Å; N105-H135 WeakPolarHBondContact OD1-CB 3.14Å; N105-H135 PolarHBondContact OD1-CD2 2.94Å; N105-H135 PolarHBondContact OD1-N 3.45Å; S133-H135 PolarHBondContact O-N 3.47Å |
| 136 | Q | 97.2 | Very high | 96.6 | Very high | 115 Ų | 115 | 36.2 Ų | 36.2 | 54% | 0.537 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -72.9 | -50.9 | 178.7 | -179.6 | -178 | -14.2 | 0 | 0 | 110.8 | S133 L138 R139 E140 | S133-Q136 PolarHBondContact O-N 3.2Å; S133-Q136 WeakPolarHBondContact OG-CB 3.43Å; S133-Q136 PolarHBondContact OG-N 2.95Å; Q136-L138 PolarHBondContact O-N 3.24Å; Q136-R139 PolarHBondContact O-N 3.21Å; Q136-E140 WeakPolarHBondContact O-CB 3.19Å; Q136-E140 PolarHBondContact O-N 2.66Å |
| 137 | G | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.8 | -46.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S133 R139 E140 Y141 | S133-G137 PolarHBondContact O-N 3.25Å; G137-R139 VanDerWaalsContact C-N 3.31Å; G137-R139 PolarHBondContact O-N 3.44Å; G137-E140 PolarHBondContact O-N 2.78Å; G137-Y141 VanDerWaalsContact O-CB 3.29Å; G137-Y141 WeakPolarHBondContact O-CB 3.41Å; G137-Y141 WeakPolarHBondContact O-CD2 3.4Å; G137-Y141 PolarHBondContact O-N 2.85Å |
| 138 | L | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.7 | -38.5 | 178.4 | -67.3 | 172.5 | 0 | 0 | 0 | 112.2 | M80 F83 F103 L110 V112 L134 Q136 A142 V167 | M80-L138 HydrophobicContact CB-CD1 3.71Å; M80-L138 HydrophobicContact CG-CD1 3.99Å; F83-L138 HydrophobicContact CD1-CB 4.04Å; F83-L138 HydrophobicContact CE1-CB 4.21Å; F103-L138 HydrophobicContact CE2-CD1 3.92Å; F103-L138 HydrophobicContact CZ-CD1 3.73Å; L110-L138 HydrophobicContact CD1-CD2 4.19Å; L110-L138 HydrophobicContact CD2-CD2 4.13Å; L110-L138 HydrophobicContact CD2-CG 4.21Å; V112-L138 HydrophobicContact CG2-CD2 4.15Å; L134-L138 HydrophobicContact CB-CD1 4.42Å; L134-L138 HydrophobicContact CD2-CD1 4.47Å; L134-L138 WeakPolarHBondContact O-CB 3.33Å; L134-L138 WeakPolarHBondContact O-CD1 3.45Å; L134-L138 WeakPolarHBondContact O-CG 3.44Å; L134-L138 PolarHBondContact O-N 3.43Å; Q136-L138 PolarHBondContact O-N 3.24Å; L138-A142 WeakPolarHBondContact O-CB 3.34Å; L138-A142 PolarHBondContact O-N 3.03Å; L138-V167 HydrophobicContact CD2-CB 4.35Å; L138-V167 HydrophobicContact CD2-CG1 3.58Å; L138-V167 HydrophobicContact CD2-CG2 3.78Å |
| 139 | R | 97.8 | Very high | 97 | Very high | 62 Ų | 62 | 42.7 Ų | 42.7 | 23% | 0.234 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.5 | -49.6 | 176.5 | -177 | -173.5 | -57.9 | -85.6 | 4.5 | 111.4 | F83 V87 P97 P98 Q136 G137 L143 | F83-R139 HydrophobicContact CE1-CB 4.07Å; F83-R139 HydrophobicContact CZ-CB 4.23Å; V87-R139 HydrophobicContact CG1-CG 4.11Å; V87-R139 HydrophobicContact CG2-CB 4.32Å; V87-R139 HydrophobicContact CG2-CG 4.05Å; P97-R139 VanDerWaalsContact CB-NH1 3.3Å; P98-R139 PolarHBondContact O-NH1 2.92Å; P98-R139 VanDerWaalsContact O-NH1 3.08Å; P98-R139 PolarHBondContact O-NH2 2.9Å; Q136-R139 PolarHBondContact O-N 3.21Å; G137-R139 VanDerWaalsContact C-N 3.31Å; G137-R139 PolarHBondContact O-N 3.44Å; R139-L143 PolarHBondContact O-N 3.11Å |
| 140 | E | 97.9 | Very high | 97.2 | Very high | 98 Ų | 98 | 45.9 Ų | 45.9 | 46% | 0.458 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.7 | -50.6 | -178.1 | -178.8 | 171.7 | -175.8 | 0 | 0 | 111.3 | Q136 G137 L143 A144 | Q136-E140 WeakPolarHBondContact O-CB 3.19Å; Q136-E140 PolarHBondContact O-N 2.66Å; G137-E140 PolarHBondContact O-N 2.78Å; E140-L143 PolarHBondContact O-N 2.99Å; E140-A144 WeakPolarHBondContact O-CB 3.31Å; E140-A144 PolarHBondContact O-N 2.89Å |
| 141 | Y | 98.4 | Very high | 97.2 | Very high | 37 Ų | 37 | 47.9 Ų | 47.9 | 15% | 0.145 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -75.2 | -24.7 | -176.7 | -67.5 | -63.2 | 0 | 0 | 0 | 113.1 | L110 I126 T128 T132 G137 S145 | L110-Y141 HydrophobicContact CD1-CD2 3.57Å; L110-Y141 HydrophobicContact CD1-CG 4.07Å; L110-Y141 HydrophobicContact CG-CD2 4.28Å; I126-Y141 HydrophobicContact CG2-CD1 3.89Å; I126-Y141 HydrophobicContact CG2-CE1 4.2Å; T128-Y141 VanDerWaalsContact CB-OH 3.24Å; T128-Y141 WeakPolarHBondContact CB-OH 3.34Å; T128-Y141 HydrophobicContact CG2-CD2 4.38Å; T128-Y141 HydrophobicContact CG2-CE2 3.44Å; T128-Y141 VanDerWaalsContact CG2-CE2 3.44Å; T128-Y141 WeakPolarHBondContact CG2-OH 3.48Å; T132-Y141 HydrophobicContact CG2-CE2 4.24Å; G137-Y141 VanDerWaalsContact O-CB 3.29Å; G137-Y141 WeakPolarHBondContact O-CB 3.41Å; G137-Y141 WeakPolarHBondContact O-CD2 3.4Å; G137-Y141 PolarHBondContact O-N 2.85Å; Y141-S145 WeakPolarHBondContact O-CB 3.31Å; Y141-S145 PolarHBondContact O-N 3.27Å; Y141-S145 PolarHBondContact O-OG 3.47Å |
| 142 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.8 | -44.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | C84 V87 V112 W114 L138 S145 A146 | C84-A142 HydrophobicContact CB-CB 3.91Å; V87-A142 HydrophobicContact CB-CB 4.46Å; V87-A142 HydrophobicContact CG1-CB 4.2Å; V112-A142 HydrophobicContact CG1-CB 4.42Å; W114-A142 HydrophobicContact CZ2-CB 4.37Å; W114-A142 PolarHBondContact NE1-O 2.87Å; W114-A142 VanDerWaalsContact NE1-O 3.1Å; L138-A142 WeakPolarHBondContact O-CB 3.34Å; L138-A142 PolarHBondContact O-N 3.03Å; A142-S145 PolarHBondContact O-OG 2.92Å; A142-A146 WeakPolarHBondContact O-CB 3.26Å; A142-A146 PolarHBondContact O-N 3.41Å |
| 143 | L | 98.4 | Very high | 97.5 | Very high | 46 Ų | 46 | 52.8 Ų | 52.8 | 24% | 0.241 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -75.3 | -41.4 | 177 | -62.1 | 177.4 | 0 | 0 | 0 | 111.9 | V87 H91 R139 E140 A146 F147 | V87-L143 HydrophobicContact CG1-CD1 4.1Å; V87-L143 HydrophobicContact CG1-CD2 3.7Å; V87-L143 HydrophobicContact CG1-CG 3.62Å; H91-L143 HydrophobicContact CB-CD2 3.64Å; R139-L143 PolarHBondContact O-N 3.11Å; E140-L143 PolarHBondContact O-N 2.99Å; L143-A146 PolarHBondContact O-N 3.31Å; L143-F147 HydrophobicContact CB-CD2 4.28Å; L143-F147 HydrophobicContact CD2-CD2 4.23Å; L143-F147 HydrophobicContact CD2-CE2 3.78Å; L143-F147 WeakPolarHBondContact O-CB 3.35Å; L143-F147 VanDerWaalsContact O-CD2 3.24Å; L143-F147 WeakPolarHBondContact O-CD2 3.35Å; L143-F147 PolarHBondContact O-N 3.24Å |
| 144 | A | 98.2 | Very high | 97.5 | Very high | 12 Ų | 12 | 55.6 Ų | 55.6 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 180 | 0 | 0 | 0 | 0 | 0 | 111.7 | I126 E140 A146 F147 K148 D149 | I126-A144 HydrophobicContact CB-CB 4.47Å; I126-A144 HydrophobicContact CG2-CB 4.13Å; E140-A144 WeakPolarHBondContact O-CB 3.31Å; E140-A144 PolarHBondContact O-N 2.89Å; A144-A146 VanDerWaalsContact C-N 3.28Å; A144-A146 PolarHBondContact O-N 3.41Å; A144-F147 PolarHBondContact O-N 2.83Å; A144-K148 HydrophobicContact CB-CB 4.45Å; A144-K148 HydrophobicContact CB-CD 4.39Å; A144-K148 CarbonylContact O-C 3.55Å; A144-K148 WeakPolarHBondContact O-CA 3.2Å; A144-K148 WeakPolarHBondContact O-CB 3.27Å; A144-K148 PolarHBondContact O-N 3.35Å; A144-D149 PolarHBondContact O-N 3.26Å |
| 145 | S | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.2 | -29.6 | 175.4 | 58.4 | 0 | 0 | 0 | 0 | 112.9 | V112 W114 G124 Y141 A142 | V112-S145 VanDerWaalsContact O-CB 3.27Å; V112-S145 WeakPolarHBondContact O-CB 3.41Å; W114-S145 PolarHBondContact NE1-OG 2.82Å; G124-S145 VanDerWaalsContact CA-O 3.31Å; G124-S145 WeakPolarHBondContact CA-O 3.22Å; Y141-S145 WeakPolarHBondContact O-CB 3.31Å; Y141-S145 PolarHBondContact O-N 3.27Å; Y141-S145 PolarHBondContact O-OG 3.47Å; A142-S145 PolarHBondContact O-OG 2.92Å |
| 146 | A | 98.2 | Very high | 97.5 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -80.1 | -32 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L88 A142 L143 A144 I155 | L88-A146 HydrophobicContact CD1-CB 3.76Å; A142-A146 WeakPolarHBondContact O-CB 3.26Å; A142-A146 PolarHBondContact O-N 3.41Å; L143-A146 PolarHBondContact O-N 3.31Å; A144-A146 VanDerWaalsContact C-N 3.28Å; A144-A146 PolarHBondContact O-N 3.41Å; A146-I155 HydrophobicContact CB-CB 4.3Å; A146-I155 HydrophobicContact CB-CD1 3.86Å; A146-I155 HydrophobicContact CB-CG1 4.29Å; A146-I155 WeakPolarHBondContact O-CG1 3.47Å; A146-I155 PolarHBondContact O-N 3.14Å |
| 147 | F | 98 | Very high | 97.4 | Very high | 51 Ų | 51 | 54.7 Ų | 54.7 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -128.7 | -16.7 | -166.3 | -55.8 | -58.5 | 0 | 0 | 0 | 115.6 | L88 H91 L92 L143 A144 P154 I155 | L88-F147 HydrophobicContact CD1-CE1 4.35Å; L88-F147 HydrophobicContact CD1-CE2 3.67Å; L88-F147 HydrophobicContact CD1-CZ 3.4Å; L88-F147 VanDerWaalsContact CD1-CZ 3.4Å; H91-F147 HydrophobicContact CB-CE2 4.43Å; H91-F147 AromaticContact CD2-CE2 3.2Å; H91-F147 WeakPolarHBondContact CD2-CE2 3.43Å; H91-F147 AromaticContact CD2-CZ 3.42Å; H91-F147 VanDerWaalsContact CD2-CZ 3.42Å; H91-F147 WeakPolarHBondContact CD2-CZ 3.24Å; H91-F147 AromaticContact CG-CE2 3.87Å; H91-F147 AromaticContact NE2-CE2 3.7Å; L92-F147 HydrophobicContact CD2-CE1 4.07Å; L92-F147 HydrophobicContact CD2-CZ 3.87Å; L92-F147 HydrophobicContact CG-CZ 4.31Å; L143-F147 HydrophobicContact CB-CD2 4.28Å; L143-F147 HydrophobicContact CD2-CD2 4.23Å; L143-F147 HydrophobicContact CD2-CE2 3.78Å; L143-F147 WeakPolarHBondContact O-CB 3.35Å; L143-F147 VanDerWaalsContact O-CD2 3.24Å; L143-F147 WeakPolarHBondContact O-CD2 3.35Å; L143-F147 PolarHBondContact O-N 3.24Å; A144-F147 PolarHBondContact O-N 2.83Å; F147-P154 HydrophobicContact CD1-CB 3.95Å; F147-I155 HydrophobicContact CE1-CB 4.48Å; F147-I155 WeakPolarHBondContact CE1-O 3.24Å |
| 148 | K | 97.7 | Very high | 97.4 | Very high | 169 Ų | 169 | 60 Ų | 60 | 74% | 0.735 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -119.3 | 3.6 | -173.6 | -57.7 | -176.8 | -179.8 | 178.4 | 0 | 113.3 | A144 S150 | A144-K148 HydrophobicContact CB-CB 4.45Å; A144-K148 HydrophobicContact CB-CD 4.39Å; A144-K148 CarbonylContact O-C 3.55Å; A144-K148 WeakPolarHBondContact O-CA 3.2Å; A144-K148 WeakPolarHBondContact O-CB 3.27Å; A144-K148 PolarHBondContact O-N 3.35Å; K148-S150 PolarHBondContact O-N 2.61Å; K148-S150 VanDerWaalsContact O-N 3.15Å |
| 149 | D | 96.9 | Very high | 97.2 | Very high | 9 Ų | 9 | 60.8 Ų | 60.8 | 5% | 0.048 | 30% | 0.304 | C | S | . | . | trans | -78.1 | 95.7 | 172.1 | -169.4 | -17.6 | 0 | 0 | 0 | 110 | C125 I126 A144 R151 F152 | C125-D149 PolarHBondContact N-OD2 2.9Å; I126-D149 HydrophobicContact CD1-CB 3.94Å; I126-D149 HydrophobicContact CG1-CB 3.82Å; A144-D149 PolarHBondContact O-N 3.26Å; D149-R151 PolarHBondContact O-N 3.1Å; D149-R151 WeakPolarHBondContact OD1-CB 3.41Å; D149-R151 WeakPolarHBondContact OD1-CG 3.24Å; D149-R151 IonicContact OD1-CZ 3.32Å; D149-R151 PolarHBondContact OD1-N 3.43Å; D149-R151 IonicContact OD1-NE 3.45Å; D149-R151 PolarHBondContact OD1-NE 3.13Å; D149-R151 IonicContact OD1-NH2 2.7Å; D149-R151 IonicContact OD2-CZ 2.77Å; D149-R151 IonicContact OD2-NE 2.69Å; D149-R151 PolarHBondContact OD2-NE 2.85Å; D149-R151 IonicContact OD2-NH2 3.52Å; D149-R151 PolarHBondContact OD2-NH2 3.19Å; D149-F152 HydrophobicContact CB-CD2 4.12Å; D149-F152 PolarHBondContact O-N 3.16Å; D149-F152 WeakPolarHBondContact OD2-CE2 3.4Å | ||
| 150 | S | 96.2 | Very high | 97.2 | Very high | 123 Ų | 123 | 57.9 Ų | 57.9 | 86% | 0.86 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -12.5 | -177.1 | 62.3 | 0 | 0 | 0 | 0 | 116 | K148 F152 | K148-S150 PolarHBondContact O-N 2.61Å; K148-S150 VanDerWaalsContact O-N 3.15Å; S150-F152 PolarHBondContact O-N 2.97Å |
| 151 | R | 94.5 | Very high | 97.2 | Very high | 144 Ų | 144 | 57.1 Ų | 57.1 | 54% | 0.543 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -16.9 | 174.4 | -60.5 | 176.5 | -66.6 | 176.1 | -4 | 112.6 | C125 D149 | C125-R151 PolarHBondContact O-NH2 3.15Å; D149-R151 PolarHBondContact O-N 3.1Å; D149-R151 WeakPolarHBondContact OD1-CB 3.41Å; D149-R151 WeakPolarHBondContact OD1-CG 3.24Å; D149-R151 IonicContact OD1-CZ 3.32Å; D149-R151 PolarHBondContact OD1-N 3.43Å; D149-R151 IonicContact OD1-NE 3.45Å; D149-R151 PolarHBondContact OD1-NE 3.13Å; D149-R151 IonicContact OD1-NH2 2.7Å; D149-R151 IonicContact OD2-CZ 2.77Å; D149-R151 IonicContact OD2-NE 2.69Å; D149-R151 PolarHBondContact OD2-NE 2.85Å; D149-R151 IonicContact OD2-NH2 3.52Å; D149-R151 PolarHBondContact OD2-NH2 3.19Å |
| 152 | F | 97 | Very high | 97.1 | Very high | 58 Ų | 58 | 61.1 Ų | 61.1 | 25% | 0.254 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -138.2 | 152.8 | -174.1 | -45.1 | -83.2 | 0 | 0 | 0 | 111.1 | L122 R123 D149 S150 | L122-F152 HydrophobicContact CB-CZ 4.35Å; L122-F152 HydrophobicContact CD2-CE2 4.45Å; L122-F152 HydrophobicContact CD2-CZ 3.87Å; L122-F152 HydrophobicContact CG-CE2 4.33Å; L122-F152 HydrophobicContact CG-CZ 3.76Å; L122-F152 VanDerWaalsContact O-CE1 3.26Å; L122-F152 WeakPolarHBondContact O-CE1 3.01Å; R123-F152 VanDerWaalsContact NH1-CB 3.28Å; R123-F152 WeakPolarHBondContact O-CB 3.43Å; R123-F152 WeakPolarHBondContact O-CD2 3.29Å; R123-F152 VanDerWaalsContact O-CG 3.29Å; R123-F152 WeakPolarHBondContact O-CG 3.1Å; D149-F152 HydrophobicContact CB-CD2 4.12Å; D149-F152 PolarHBondContact O-N 3.16Å; D149-F152 WeakPolarHBondContact OD2-CE2 3.4Å; S150-F152 PolarHBondContact O-N 2.97Å |
| 153 | D | 96.9 | Very high | 97.1 | Very high | 131 Ų | 131 | 61.1 Ų | 61.1 | 70% | 0.701 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 153.2 | 169.5 | -65.4 | -44.1 | 0 | 0 | 0 | 110.6 | R123 I155 | R123-D153 PolarHBondContact NH1-O 3.27Å; R123-D153 PolarHBondContact NH2-O 3.24Å; D153-I155 PolarHBondContact O-N 3.11Å |
| 154 | P | 97.8 | Very high | 97.1 | Very high | 82 Ų | 82 | 60.6 Ų | 60.6 | 53% | 0.532 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -48.2 | 137.5 | 173.4 | -31.5 | 38.7 | 0 | 0 | 0 | 113.1 | R123 F147 G156 | R123-P154 PolarHBondContact NH2-O 2.95Å; F147-P154 HydrophobicContact CD1-CB 3.95Å; P154-G156 PolarHBondContact O-N 2.87Å |
| 155 | I | 98.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 127.6 | 178.4 | -71 | -179.3 | 0 | 0 | 0 | 110.9 | L88 W114 R123 A146 F147 D153 E159 L163 | L88-I155 HydrophobicContact CD2-CG2 4.44Å; W114-I155 HydrophobicContact CB-CD1 3.72Å; W114-I155 HydrophobicContact CD2-CD1 4.3Å; W114-I155 HydrophobicContact CG-CD1 3.71Å; R123-I155 HydrophobicContact CG-CD1 3.92Å; R123-I155 HydrophobicContact CG-CG1 3.85Å; A146-I155 HydrophobicContact CB-CB 4.3Å; A146-I155 HydrophobicContact CB-CD1 3.86Å; A146-I155 HydrophobicContact CB-CG1 4.29Å; A146-I155 WeakPolarHBondContact O-CG1 3.47Å; A146-I155 PolarHBondContact O-N 3.14Å; F147-I155 HydrophobicContact CE1-CB 4.48Å; F147-I155 WeakPolarHBondContact CE1-O 3.24Å; D153-I155 PolarHBondContact O-N 3.11Å; I155-E159 WeakPolarHBondContact CA-OE1 3.39Å; I155-E159 HydrophobicContact CG2-CG 3.95Å; I155-L163 HydrophobicContact CD1-CD1 4.43Å; I155-L163 HydrophobicContact CD1-CD2 4.37Å; I155-L163 HydrophobicContact CG2-CD1 3.88Å |
| 156 | G | 95.3 | Very high | 97.1 | Very high | 20 Ų | 20 | 60 Ų | 60 | 21% | 0.206 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -88.4 | 162.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | P154 D158 E159 F160 | P154-G156 PolarHBondContact O-N 2.87Å; G156-D158 VanDerWaalsContact C-N 3.26Å; G156-D158 WeakPolarHBondContact CA-OD1 3.09Å; G156-D158 PolarHBondContact O-N 2.8Å; G156-E159 PolarHBondContact N-OE1 3.48Å; G156-E159 WeakPolarHBondContact O-CG 3.29Å; G156-E159 PolarHBondContact O-N 2.91Å; G156-F160 PolarHBondContact O-N 3.25Å |
| 157 | W | 96.4 | Very high | 97 | Very high | 98 Ų | 98 | 59.8 Ų | 59.8 | 37% | 0.371 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.4 | -31.6 | 171.5 | 177.1 | -107 | 0 | 0 | 0 | 112.4 | Y89 L92 K93 E159 F160 E291 | Y89-W157 AromaticContact CD2-CH2 3.99Å; Y89-W157 HydrophobicContact CD2-CH2 3.99Å; Y89-W157 AromaticContact CD2-CZ3 3.83Å; Y89-W157 HydrophobicContact CD2-CZ3 3.83Å; Y89-W157 AromaticContact CE2-CH2 3.71Å; Y89-W157 HydrophobicContact CE2-CH2 3.71Å; Y89-W157 AromaticContact CE2-CZ3 3.94Å; Y89-W157 HydrophobicContact CE2-CZ3 3.94Å; L92-W157 HydrophobicContact CB-CE3 3.9Å; L92-W157 HydrophobicContact CB-CZ3 4.47Å; L92-W157 HydrophobicContact CD1-CE3 4.06Å; K93-W157 HydrophobicContact CD-CE3 4.49Å; K93-W157 HydrophobicContact CD-CH2 4.32Å; K93-W157 HydrophobicContact CD-CZ3 4.23Å; K93-W157 VanDerWaalsContact CE-CZ2 3.43Å; K93-W157 HydrophobicContact CG-CZ3 4.37Å; W157-E159 PolarHBondContact O-N 3.37Å; W157-F160 HydrophobicContact CE3-CB 4.14Å; W157-F160 HydrophobicContact CE3-CD1 4.21Å; W157-F160 HydrophobicContact CE3-CG 4.24Å; W157-F160 AromaticContact CH2-CD1 3.84Å; W157-F160 HydrophobicContact CH2-CD1 3.84Å; W157-F160 HydrophobicContact CH2-CE1 4.32Å; W157-F160 HydrophobicContact CZ3-CB 4.27Å; W157-F160 AromaticContact CZ3-CD1 3.49Å; W157-F160 HydrophobicContact CZ3-CD1 3.49Å; W157-F160 VanDerWaalsContact CZ3-CD1 3.49Å; W157-F160 HydrophobicContact CZ3-CE1 4.02Å; W157-F160 AromaticContact CZ3-CG 3.95Å; W157-F160 HydrophobicContact CZ3-CG 3.95Å; W157-F160 WeakPolarHBondContact O-CB 3.36Å; W157-F160 PolarHBondContact O-N 2.96Å; W157-E291 WeakPolarHBondContact CZ2-OE1 3.4Å |
| 158 | D | 95.7 | Very high | 96.9 | Very high | 111 Ų | 111 | 57.4 Ų | 57.4 | 59% | 0.594 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -66.1 | -20.2 | -178.6 | 64.9 | -65.8 | 0 | 0 | 0 | 113.9 | G156 R162 | G156-D158 VanDerWaalsContact C-N 3.26Å; G156-D158 WeakPolarHBondContact CA-OD1 3.09Å; G156-D158 PolarHBondContact O-N 2.8Å; D158-R162 PolarHBondContact O-NH1 3.32Å |
| 159 | E | 96.1 | Very high | 96.8 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -106.8 | -10.1 | 177.2 | 66.4 | -177.9 | 146 | 0 | 0 | 114.1 | V116 R123 I155 G156 W157 N161 R162 | V116-E159 HydrophobicContact CG2-CB 4.31Å; R123-E159 WeakPolarHBondContact CD-OE2 3.16Å; R123-E159 IonicContact CZ-OE1 3.18Å; R123-E159 VanDerWaalsContact CZ-OE1 3.26Å; R123-E159 IonicContact CZ-OE2 2.9Å; R123-E159 VanDerWaalsContact NE-CD 3.31Å; R123-E159 IonicContact NE-OE1 2.68Å; R123-E159 PolarHBondContact NE-OE1 2.86Å; R123-E159 IonicContact NE-OE2 2.85Å; R123-E159 PolarHBondContact NE-OE2 2.8Å; R123-E159 IonicContact NH2-OE1 3.85Å; R123-E159 PolarHBondContact NH2-OE1 3.18Å; I155-E159 WeakPolarHBondContact CA-OE1 3.39Å; I155-E159 HydrophobicContact CG2-CG 3.95Å; G156-E159 PolarHBondContact N-OE1 3.48Å; G156-E159 WeakPolarHBondContact O-CG 3.29Å; G156-E159 PolarHBondContact O-N 2.91Å; W157-E159 PolarHBondContact O-N 3.37Å; E159-N161 PolarHBondContact O-N 3.46Å; E159-N161 VanDerWaalsContact O-N 3.11Å; E159-R162 VanDerWaalsContact CB-NH2 3.27Å; E159-R162 PolarHBondContact O-N 2.92Å |
| 160 | F | 97.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.009 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -51.8 | -40.5 | -175.7 | -177.4 | -109.2 | 0 | 0 | 0 | 113 | F85 L88 Y89 L92 G156 W157 R162 L163 Y272 | F85-F160 HydrophobicContact CD1-CE2 4.12Å; F85-F160 HydrophobicContact CD1-CZ 4.12Å; L88-F160 HydrophobicContact CB-CE2 4.2Å; L88-F160 HydrophobicContact CD2-CD2 3.89Å; L88-F160 HydrophobicContact CD2-CE2 3.85Å; L88-F160 HydrophobicContact CG-CD2 4.08Å; L88-F160 HydrophobicContact CG-CE2 3.85Å; Y89-F160 AromaticContact CD2-CE1 3.73Å; Y89-F160 HydrophobicContact CD2-CE1 3.73Å; Y89-F160 HydrophobicContact CD2-CZ 4.07Å; Y89-F160 HydrophobicContact CG-CE1 4.47Å; Y89-F160 HydrophobicContact CG-CZ 4.38Å; L92-F160 HydrophobicContact CD1-CB 4.09Å; L92-F160 HydrophobicContact CD1-CD2 3.53Å; L92-F160 HydrophobicContact CD1-CE2 4.24Å; L92-F160 HydrophobicContact CD1-CG 3.96Å; G156-F160 PolarHBondContact O-N 3.25Å; W157-F160 HydrophobicContact CE3-CB 4.14Å; W157-F160 HydrophobicContact CE3-CD1 4.21Å; W157-F160 HydrophobicContact CE3-CG 4.24Å; W157-F160 AromaticContact CH2-CD1 3.84Å; W157-F160 HydrophobicContact CH2-CD1 3.84Å; W157-F160 HydrophobicContact CH2-CE1 4.32Å; W157-F160 HydrophobicContact CZ3-CB 4.27Å; W157-F160 AromaticContact CZ3-CD1 3.49Å; W157-F160 HydrophobicContact CZ3-CD1 3.49Å; W157-F160 VanDerWaalsContact CZ3-CD1 3.49Å; W157-F160 HydrophobicContact CZ3-CE1 4.02Å; W157-F160 AromaticContact CZ3-CG 3.95Å; W157-F160 HydrophobicContact CZ3-CG 3.95Å; W157-F160 WeakPolarHBondContact O-CB 3.36Å; W157-F160 PolarHBondContact O-N 2.96Å; F160-R162 PolarHBondContact O-N 3Å; F160-L163 HydrophobicContact CD2-CD1 3.96Å; F160-L163 PolarHBondContact O-N 3.24Å; F160-Y272 HydrophobicContact CD1-CD2 4.23Å; F160-Y272 AromaticContact CD1-CE2 3.73Å; F160-Y272 HydrophobicContact CD1-CE2 3.73Å; F160-Y272 HydrophobicContact CE1-CD2 4.01Å; F160-Y272 AromaticContact CE1-CE2 3.44Å; F160-Y272 HydrophobicContact CE1-CE2 3.44Å; F160-Y272 VanDerWaalsContact CE1-CE2 3.44Å; F160-Y272 HydrophobicContact CZ-CD2 4.46Å; F160-Y272 HydrophobicContact CZ-CE2 4.24Å |
| 161 | N | 96.8 | Very high | 96.5 | Very high | 82 Ų | 82 | 44.5 Ų | 44.5 | 44% | 0.439 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -3 | -179.5 | 67.5 | -0.2 | 0 | 0 | 0 | 115 | E159 Y272 | E159-N161 PolarHBondContact O-N 3.46Å; E159-N161 VanDerWaalsContact O-N 3.11Å; N161-Y272 VanDerWaalsContact CA-CD1 3.47Å; N161-Y272 HydrophobicContact CB-CD1 3.87Å; N161-Y272 HydrophobicContact CB-CE1 3.63Å; N161-Y272 HydrophobicContact CB-CG 4.44Å; N161-Y272 WeakPolarHBondContact O-CD1 3.48Å |
| 162 | R | 97.5 | Very high | 96.4 | Very high | 121 Ų | 121 | 41.9 Ų | 41.9 | 46% | 0.457 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 4.8 | 176.5 | -57.3 | -173.8 | -60.2 | -106.1 | 0.9 | 112.7 | V116 G117 D158 E159 F160 | V116-R162 HydrophobicContact CG2-CB 3.95Å; G117-R162 PolarHBondContact N-O 2.86Å; D158-R162 PolarHBondContact O-NH1 3.32Å; E159-R162 VanDerWaalsContact CB-NH2 3.27Å; E159-R162 PolarHBondContact O-N 2.92Å; F160-R162 PolarHBondContact O-N 3Å |
| 163 | L | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 151.2 | -175.3 | -65.9 | 177 | 0 | 0 | 0 | 112.5 | F85 L88 W114 E115 V116 R123 I155 F160 Y272 | F85-L163 HydrophobicContact CE1-CB 4.13Å; L88-L163 HydrophobicContact CD2-CD1 3.69Å; W114-L163 HydrophobicContact CE3-CB 4.19Å; W114-L163 HydrophobicContact CE3-CD1 3.95Å; W114-L163 HydrophobicContact CZ3-CB 4.43Å; W114-L163 HydrophobicContact CZ3-CD1 4.16Å; E115-L163 CarbonylContact O-C 3.58Å; E115-L163 VanDerWaalsContact O-CA 3.31Å; E115-L163 WeakPolarHBondContact O-CA 3.47Å; V116-L163 HydrophobicContact CB-CD2 4.07Å; V116-L163 HydrophobicContact CG2-CD2 4.21Å; R123-L163 HydrophobicContact CG-CD2 4.44Å; I155-L163 HydrophobicContact CD1-CD1 4.43Å; I155-L163 HydrophobicContact CD1-CD2 4.37Å; I155-L163 HydrophobicContact CG2-CD1 3.88Å; F160-L163 HydrophobicContact CD2-CD1 3.96Å; F160-L163 PolarHBondContact O-N 3.24Å; L163-Y272 WeakPolarHBondContact O-CB 3.38Å; L163-Y272 PolarHBondContact O-N 3.38Å |
| 164 | H | 98.3 | Very high | 96.2 | Very high | 34 Ų | 34 | 41 Ų | 41 | 16% | 0.157 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134 | 160.9 | -61.4 | -104.1 | 0 | 0 | 0 | 107.3 | W114 E115 V270 S271 | W114-H164 WeakPolarHBondContact CA-O 3.49Å; E115-H164 HydrophobicContact CB-CB 4.23Å; E115-H164 PolarHBondContact N-O 3.41Å; E115-H164 PolarHBondContact O-N 3.4Å; H164-V270 WeakPolarHBondContact CA-O 3.34Å; H164-S271 VanDerWaalsContact CE1-CB 3.44Å; H164-S271 WeakPolarHBondContact CE1-CB 3.07Å; H164-S271 WeakPolarHBondContact ND1-CB 3.24Å |
| 165 | C | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 136.3 | 174.8 | -172.2 | 0 | 0 | 0 | 0 | 108.6 | V81 C84 F85 T113 W114 T269 V270 | V81-C165 HydrophobicContact CG1-CB 3.54Å; V81-C165 VanDerWaalsContact CG1-O 3.24Å; V81-C165 WeakPolarHBondContact CG1-O 3.42Å; C84-C165 VanDerWaalsContact CB-SG 3.57Å; F85-C165 HydrophobicContact CD2-CB 3.84Å; F85-C165 HydrophobicContact CE2-CB 3.38Å; F85-C165 HydrophobicContact CZ-CB 3.84Å; T113-C165 CarbonylContact O-C 3.58Å; T113-C165 WeakPolarHBondContact O-CA 3.26Å; W114-C165 HydrophobicContact CE3-CB 3.8Å; W114-C165 HydrophobicContact CH2-CB 3.87Å; W114-C165 HydrophobicContact CZ3-CB 3.43Å; W114-C165 VanDerWaalsContact CZ3-CB 3.43Å; C165-T269 CarbonylContact O-C 3.59Å; C165-T269 VanDerWaalsContact O-CA 3.29Å; C165-T269 WeakPolarHBondContact O-CA 3.27Å; C165-V270 PolarHBondContact N-O 3.47Å; C165-V270 PolarHBondContact O-N 3.11Å |
| 166 | S | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 135.5 | 170.4 | -56.7 | 0 | 0 | 0 | 0 | 110.4 | V112 T113 M268 T269 | V112-S166 WeakPolarHBondContact CA-O 3.39Å; T113-S166 PolarHBondContact N-O 3.2Å; T113-S166 PolarHBondContact O-N 3.34Å; S166-M268 CarbonylContact C-O 3.53Å; S166-M268 WeakPolarHBondContact CA-O 2.92Å; S166-T269 WeakPolarHBondContact CB-OG1 3.3Å; S166-T269 WeakPolarHBondContact OG-CB 3.09Å; S166-T269 VanDerWaalsContact OG-CG2 3.26Å; S166-T269 WeakPolarHBondContact OG-CG2 3.4Å; S166-T269 PolarHBondContact OG-OG1 2.9Å |
| 167 | V | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 125.1 | 169.2 | 171.7 | 0 | 0 | 0 | 0 | 107.6 | V76 V81 L138 L169 K267 M268 | V76-V167 HydrophobicContact CG2-CB 4.31Å; V76-V167 HydrophobicContact CG2-CG1 4.01Å; V81-V167 HydrophobicContact CB-CG2 4.47Å; V81-V167 HydrophobicContact CG2-CB 4.08Å; V81-V167 HydrophobicContact CG2-CG2 3.92Å; L138-V167 HydrophobicContact CD2-CB 4.35Å; L138-V167 HydrophobicContact CD2-CG1 3.58Å; L138-V167 HydrophobicContact CD2-CG2 3.78Å; V167-L169 HydrophobicContact CG1-CD2 3.99Å; V167-L169 HydrophobicContact CG1-CG 4.49Å; V167-K267 WeakPolarHBondContact O-CA 3.26Å; V167-M268 PolarHBondContact N-O 3.06Å; V167-M268 PolarHBondContact O-N 3.01Å |
| 168 | S | 94.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 119.9 | 174.9 | -61.2 | 0 | 0 | 0 | 0 | 109.5 | L110 F111 E266 K267 | L110-S168 CarbonylContact C-O 3.56Å; L110-S168 VanDerWaalsContact CA-O 3.24Å; L110-S168 WeakPolarHBondContact CA-O 3.24Å; F111-S168 PolarHBondContact N-O 3.36Å; F111-S168 PolarHBondContact O-N 2.61Å; S168-E266 CarbonylContact C-O 3.58Å; S168-E266 WeakPolarHBondContact CA-O 3.38Å; S168-K267 WeakPolarHBondContact OG-CG 3.29Å |
| 169 | L | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 125.1 | 172.6 | -55.7 | -173.4 | 0 | 0 | 0 | 109 | V75 V76 M80 F108 L110 L134 V167 M171 S265 E266 | V75-L169 HydrophobicContact CB-CD1 4.28Å; V75-L169 HydrophobicContact CG1-CD1 3.9Å; V76-L169 HydrophobicContact CB-CD1 4.01Å; V76-L169 HydrophobicContact CB-CG 4.17Å; V76-L169 HydrophobicContact CG2-CD1 4.38Å; V76-L169 HydrophobicContact CG2-CG 4.21Å; M80-L169 HydrophobicContact SD-CD1 4.18Å; F108-L169 HydrophobicContact CB-CB 4.47Å; F108-L169 HydrophobicContact CB-CD2 4.26Å; F108-L169 HydrophobicContact CD2-CD1 4.28Å; F108-L169 HydrophobicContact CG-CB 4.49Å; F108-L169 HydrophobicContact CG-CD1 4.39Å; L110-L169 HydrophobicContact CB-CD2 3.76Å; L134-L169 HydrophobicContact CD2-CD1 4.04Å; L134-L169 HydrophobicContact CD2-CD2 3.48Å; L134-L169 VanDerWaalsContact CD2-CD2 3.48Å; L134-L169 HydrophobicContact CD2-CG 4.43Å; V167-L169 HydrophobicContact CG1-CD2 3.99Å; V167-L169 HydrophobicContact CG1-CG 4.49Å; L169-M171 HydrophobicContact CB-CE 3.99Å; L169-S265 CarbonylContact O-C 3.5Å; L169-S265 WeakPolarHBondContact O-CA 3.44Å; L169-E266 PolarHBondContact N-O 3.18Å; L169-E266 PolarHBondContact O-N 3.49Å |
| 170 | L | 94.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 137.9 | 179.8 | -45 | -172.9 | 0 | 0 | 0 | 109.9 | P109 F111 F129 F173 L222 F263 Q264 | P109-L170 HydrophobicContact CB-CB 4.14Å; P109-L170 HydrophobicContact CB-CD1 4.43Å; P109-L170 HydrophobicContact CB-CG 4.47Å; P109-L170 PolarHBondContact O-N 2.92Å; F111-L170 HydrophobicContact CD2-CD1 3.88Å; F111-L170 HydrophobicContact CD2-CD2 4.5Å; F111-L170 HydrophobicContact CD2-CG 4.27Å; F111-L170 HydrophobicContact CE2-CD1 3.7Å; F129-L170 HydrophobicContact CD1-CD1 3.81Å; F129-L170 HydrophobicContact CE1-CD1 3.38Å; F129-L170 HydrophobicContact CZ-CD1 4.09Å; L170-F173 HydrophobicContact CB-CE2 3.87Å; L170-F173 HydrophobicContact CB-CZ 3.66Å; L170-F173 HydrophobicContact CD1-CZ 4.12Å; L170-L222 HydrophobicContact CD2-CD2 3.99Å; L170-F263 HydrophobicContact CB-CD2 4.15Å; L170-F263 HydrophobicContact CD1-CD2 4.3Å; L170-F263 HydrophobicContact CD1-CE2 3.93Å; L170-F263 HydrophobicContact CD1-CZ 4.36Å; L170-F263 HydrophobicContact CD2-CD2 4.13Å; L170-F263 HydrophobicContact CD2-CE2 3.77Å; L170-F263 HydrophobicContact CG-CD2 4.43Å; L170-F263 HydrophobicContact CG-CE2 4.29Å; L170-Q264 WeakPolarHBondContact CA-O 3.38Å |
| 171 | M | 93.5 | Very high | 94.8 | Very high | 29 Ų | 29 | 48.5 Ų | 48.5 | 14% | 0.143 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 169.2 | -174 | 58.9 | -168.7 | 72.7 | 0 | 0 | 111.4 | F108 L169 F173 Q264 E266 | F108-M171 HydrophobicContact CE1-CE 4.48Å; L169-M171 HydrophobicContact CB-CE 3.99Å; M171-F173 PolarHBondContact O-N 3.15Å; M171-Q264 HydrophobicContact CG-CB 4.3Å; M171-Q264 PolarHBondContact N-O 2.94Å; M171-Q264 PolarHBondContact O-N 3.37Å; M171-Q264 VanDerWaalsContact O-O 3.09Å; M171-E266 HydrophobicContact CE-CB 3.8Å; M171-E266 HydrophobicContact CE-CG 3.53Å; M171-E266 HydrophobicContact SD-CG 3.91Å |
| 172 | N | 92.4 | Very high | 94.5 | Very high | 90 Ų | 90 | 45.1 Ų | 45.1 | 48% | 0.481 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.5 | 52.8 | 175.1 | -53 | -22.6 | 0 | 0 | 0 | 112.3 | E174 Q264 | N172-E174 PolarHBondContact O-N 3.47Å; N172-Q264 HydrophobicContact CB-CB 4.44Å; N172-Q264 HydrophobicContact CB-CG 4.46Å; N172-Q264 PolarHBondContact ND2-OE1 3.43Å |
| 173 | F | 94 | Very high | 94 | Very high | 78 Ų | 78 | 45 Ų | 45 | 34% | 0.342 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 124.3 | 174.6 | -70.9 | -95.7 | 0 | 0 | 0 | 109.9 | P109 F129 L170 M171 I261 R262 F263 | P109-F173 HydrophobicContact CB-CZ 4.44Å; P109-F173 HydrophobicContact CG-CE2 3.88Å; P109-F173 HydrophobicContact CG-CZ 4.24Å; F129-F173 AromaticContact CD1-CE1 4Å; F129-F173 HydrophobicContact CD1-CE1 4Å; F129-F173 HydrophobicContact CD1-CZ 4.12Å; F129-F173 HydrophobicContact CE1-CE1 4.48Å; L170-F173 HydrophobicContact CB-CE2 3.87Å; L170-F173 HydrophobicContact CB-CZ 3.66Å; L170-F173 HydrophobicContact CD1-CZ 4.12Å; M171-F173 PolarHBondContact O-N 3.15Å; F173-I261 HydrophobicContact CB-CG2 4.19Å; F173-I261 HydrophobicContact CD1-CG2 3.94Å; F173-R262 CarbonylContact C-O 3.47Å; F173-R262 WeakPolarHBondContact CA-O 3.36Å; F173-F263 HydrophobicContact CD1-CB 3.58Å; F173-F263 HydrophobicContact CD1-CD1 4.07Å; F173-F263 HydrophobicContact CD1-CG 4.06Å; F173-F263 HydrophobicContact CD2-CB 4.25Å; F173-F263 HydrophobicContact CE1-CB 3.64Å; F173-F263 AromaticContact CE1-CD1 3.66Å; F173-F263 HydrophobicContact CE1-CD1 3.66Å; F173-F263 HydrophobicContact CE1-CD2 4.44Å; F173-F263 HydrophobicContact CE1-CE1 4.45Å; F173-F263 AromaticContact CE1-CG 3.65Å; F173-F263 HydrophobicContact CE1-CG 3.65Å; F173-F263 HydrophobicContact CE2-CB 4.29Å; F173-F263 HydrophobicContact CG-CB 3.9Å; F173-F263 HydrophobicContact CZ-CB 4.01Å; F173-F263 HydrophobicContact CZ-CD1 4.43Å; F173-F263 HydrophobicContact CZ-CD2 4.46Å; F173-F263 HydrophobicContact CZ-CG 4.05Å |
| 174 | E | 95.3 | Very high | 93 | Very high | 91 Ų | 91 | 46.1 Ų | 46.1 | 43% | 0.425 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 133.2 | -179.7 | -66.6 | 174.8 | -172.3 | 0 | 0 | 109 | N172 A176 I261 R262 | N172-E174 PolarHBondContact O-N 3.47Å; E174-A176 PolarHBondContact O-N 2.93Å; E174-I261 CarbonylContact O-C 3.54Å; E174-I261 VanDerWaalsContact O-CA 3.27Å; E174-I261 WeakPolarHBondContact O-CA 2.95Å; E174-I261 WeakPolarHBondContact O-CG2 3.22Å; E174-R262 HydrophobicContact CB-CG 3.96Å; E174-R262 PolarHBondContact N-O 3.07Å; E174-R262 PolarHBondContact O-N 2.85Å; E174-R262 IonicContact OE2-CZ 3.22Å; E174-R262 IonicContact OE2-NE 2.73Å; E174-R262 PolarHBondContact OE2-NE 2.87Å; E174-R262 IonicContact OE2-NH2 3.88Å; E174-R262 PolarHBondContact OE2-NH2 3.27Å |
| 175 | V | 95.3 | Very high | 91.6 | Very high | 104 Ų | 104 | 46.4 Ų | 46.4 | 63% | 0.63 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 125.8 | 167.7 | -177.7 | 0 | 0 | 0 | 0 | 106.9 | I261 | V175-I261 HydrophobicContact CG2-CG1 4.46Å |
| 176 | A | 94 | Very high | 89.7 | Confident | 10 Ų | 10 | 51.2 Ų | 51.2 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | trans | -82.1 | 153.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | E174 D178 D181 L260 | E174-A176 PolarHBondContact O-N 2.93Å; A176-D178 VanDerWaalsContact C-N 3.32Å; A176-D181 WeakPolarHBondContact CA-OD2 3.43Å; A176-D181 HydrophobicContact CB-CB 4.02Å; A176-D181 WeakPolarHBondContact CB-O 3.37Å; A176-L260 HydrophobicContact CB-CB 4.16Å; A176-L260 HydrophobicContact CB-CD2 3.4Å; A176-L260 HydrophobicContact CB-CG 4.35Å; A176-L260 PolarHBondContact N-O 2.89Å | ||
| 177 | D | 92.5 | Very high | 87.7 | Confident | 154 Ų | 154 | 52.9 Ų | 52.9 | 82% | 0.824 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -68 | -35 | -179.8 | -72.7 | -30.4 | 0 | 0 | 0 | 111.9 | D181 | D177-D181 HydrophobicContact CB-CB 4.41Å; D177-D181 PolarHBondContact N-OD2 2.98Å |
| 178 | D | 91.4 | Very high | 85.6 | Confident | 82 Ų | 82 | 60.3 Ų | 60.3 | 44% | 0.439 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -148.4 | 180 | 174.3 | 69.1 | 35.1 | 0 | 0 | 0 | 112.1 | A176 M180 D181 | A176-D178 VanDerWaalsContact C-N 3.32Å; D178-M180 PolarHBondContact O-N 2.67Å; D178-M180 VanDerWaalsContact OD1-CA 3.24Å; D178-M180 WeakPolarHBondContact OD1-CA 3.43Å; D178-M180 VanDerWaalsContact OD1-CB 3.28Å; D178-M180 WeakPolarHBondContact OD1-CB 3.47Å; D178-M180 PolarHBondContact OD1-N 3.34Å; D178-D181 PolarHBondContact O-N 3.03Å; D178-D181 PolarHBondContact OD1-N 2.82Å |
| 179 | Y | 92.4 | Very high | 83.3 | Confident | 33 Ų | 33 | 70.9 Ų | 70.9 | 13% | 0.129 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -7.4 | -178.5 | 71.3 | -88.1 | 0 | 0 | 0 | 114.5 | W182 I237 R255 L260 | Y179-W182 PolarHBondContact O-NE1 2.78Å; Y179-I237 HydrophobicContact CD2-CG1 4.21Å; Y179-R255 HydrophobicContact CD1-CB 3.97Å; Y179-R255 WeakPolarHBondContact CD1-O 3.4Å; Y179-R255 HydrophobicContact CD2-CB 4.07Å; Y179-R255 HydrophobicContact CE1-CB 3.82Å; Y179-R255 HydrophobicContact CE2-CB 3.87Å; Y179-R255 HydrophobicContact CE2-CG 4.45Å; Y179-R255 HydrophobicContact CG-CB 4.1Å; Y179-L260 WeakPolarHBondContact O-CD1 3.3Å |
| 180 | M | 90.9 | Very high | 81 | Confident | 63 Ų | 63 | 79.3 Ų | 79.3 | 31% | 0.31 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -15.5 | 176.9 | -56.9 | -64 | -151.1 | 0 | 0 | 113 | D178 W182 H233 I234 | D178-M180 PolarHBondContact O-N 2.67Å; D178-M180 VanDerWaalsContact OD1-CA 3.24Å; D178-M180 WeakPolarHBondContact OD1-CA 3.43Å; D178-M180 VanDerWaalsContact OD1-CB 3.28Å; D178-M180 WeakPolarHBondContact OD1-CB 3.47Å; D178-M180 PolarHBondContact OD1-N 3.34Å; M180-W182 PolarHBondContact O-N 3.13Å; M180-H233 HydrophobicContact CE-CB 4.5Å; M180-H233 PolarHBondContact O-CD2 2.81Å; M180-H233 PolarHBondContact O-NE2 2.92Å; M180-H233 HydrophobicContact SD-CB 3.35Å; M180-H233 WeakPolarHBondContact SD-CB 3.2Å; M180-I234 HydrophobicContact CE-CD1 4.13Å; M180-I234 HydrophobicContact CE-CG1 3.61Å |
| 181 | D | 90.9 | Very high | 78.9 | Confident | 47 Ų | 47 | 89.9 Ų | 89.9 | 25% | 0.251 | 43% | 0.433 | S | S | . | . | trans | -73.4 | 62.1 | -176.5 | 175.6 | 37.8 | 0 | 0 | 0 | 113.1 | A176 D177 D178 R262 | A176-D181 WeakPolarHBondContact CA-OD2 3.43Å; A176-D181 HydrophobicContact CB-CB 4.02Å; A176-D181 WeakPolarHBondContact CB-O 3.37Å; D177-D181 HydrophobicContact CB-CB 4.41Å; D177-D181 PolarHBondContact N-OD2 2.98Å; D178-D181 PolarHBondContact O-N 3.03Å; D178-D181 PolarHBondContact OD1-N 2.82Å; D181-R262 WeakPolarHBondContact O-CD 3.47Å; D181-R262 PolarHBondContact O-NH1 2.85Å; D181-R262 IonicContact OD1-CZ 3.03Å; D181-R262 IonicContact OD1-NH1 3.4Å; D181-R262 PolarHBondContact OD1-NH1 3.27Å; D181-R262 IonicContact OD2-CZ 2.77Å; D181-R262 IonicContact OD2-NH1 3.14Å; D181-R262 PolarHBondContact OD2-NH1 2.75Å | ||
| 182 | W | 91.3 | Very high | 76.7 | Confident | 11 Ų | 11 | 94.3 Ų | 94.3 | 4% | 0.042 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -157.9 | 155.2 | 173.4 | 60 | -77.7 | 0 | 0 | 0 | 109.9 | Y179 M180 V184 H203 I205 A226 H233 T236 L260 R262 | Y179-W182 PolarHBondContact O-NE1 2.78Å; M180-W182 PolarHBondContact O-N 3.13Å; W182-V184 HydrophobicContact CD2-CG2 4.49Å; W182-V184 HydrophobicContact CE3-CG2 3.8Å; W182-V184 HydrophobicContact CH2-CG2 3.22Å; W182-V184 HydrophobicContact CZ2-CG2 4Å; W182-V184 HydrophobicContact CZ3-CB 4.21Å; W182-V184 HydrophobicContact CZ3-CG2 3.13Å; W182-H203 HydrophobicContact CB-CB 4.18Å; W182-I205 HydrophobicContact CB-CG2 4.02Å; W182-I205 HydrophobicContact CD2-CD1 4.49Å; W182-I205 HydrophobicContact CD2-CG2 3.5Å; W182-I205 VanDerWaalsContact CD2-CG2 3.5Å; W182-I205 HydrophobicContact CE3-CG2 3.64Å; W182-I205 HydrophobicContact CG-CG2 3.66Å; W182-I205 HydrophobicContact CH2-CD1 4.02Å; W182-I205 HydrophobicContact CZ2-CD1 3.79Å; W182-I205 HydrophobicContact CZ3-CD1 4.43Å; W182-I205 HydrophobicContact CZ3-CG2 4.25Å; W182-A226 HydrophobicContact CH2-CB 4.1Å; W182-A226 HydrophobicContact CZ3-CB 4.23Å; W182-H233 AromaticContact CD1-CD2 3.99Å; W182-H233 AromaticContact CD2-CD2 3.96Å; W182-H233 AromaticContact CE2-CD2 3.44Å; W182-H233 VanDerWaalsContact CE2-CD2 3.44Å; W182-H233 HydrophobicContact CZ2-CB 4.19Å; W182-H233 AromaticContact CZ2-CD2 3.76Å; W182-H233 AromaticContact NE1-CD2 3.48Å; W182-H233 PolarHBondContact NE1-CD2 3.26Å; W182-H233 PolarHBondContact O-NE2 2.99Å; W182-T236 HydrophobicContact CH2-CG2 3.71Å; W182-T236 HydrophobicContact CZ2-CG2 4.09Å; W182-L260 HydrophobicContact CB-CD2 4.43Å; W182-L260 HydrophobicContact CG-CD1 4.35Å; W182-L260 HydrophobicContact CG-CD2 4.45Å; W182-R262 HydrophobicContact CB-CB 4.32Å |
| 183 | E | 87.7 | Confident | 74.7 | Confident | 118 Ų | 118 | 94.2 Ų | 94.2 | 55% | 0.551 | 47% | 0.466 | S | S | * | . | trans | -102.2 | 116.1 | -176 | -65.7 | -178 | -177.3 | 0 | 0 | 112.6 | C185 V202 H203 | E183-C185 PolarHBondContact O-N 2.82Å; E183-V202 HydrophobicContact CB-CB 4.2Å; E183-V202 HydrophobicContact CB-CG2 4.43Å; E183-H203 PolarHBondContact N-ND1 3.01Å; E183-H203 VanDerWaalsContact N-ND1 3.15Å | ||
| 184 | V | 76.4 | Confident | 72.6 | Confident | 24 Ų | 24 | 99.4 Ų | 99.4 | 15% | 0.145 | 50% | 0.496 | C | S | . | . | trans | -84.7 | 95.3 | 162.9 | -169.7 | 0 | 0 | 0 | 0 | 108 | W182 I186 A226 V227 | W182-V184 HydrophobicContact CD2-CG2 4.49Å; W182-V184 HydrophobicContact CE3-CG2 3.8Å; W182-V184 HydrophobicContact CH2-CG2 3.22Å; W182-V184 HydrophobicContact CZ2-CG2 4Å; W182-V184 HydrophobicContact CZ3-CB 4.21Å; W182-V184 HydrophobicContact CZ3-CG2 3.13Å; V184-I186 HydrophobicContact CG1-CD1 4.15Å; V184-I186 HydrophobicContact CG1-CG1 3.67Å; V184-I186 PolarHBondContact O-N 2.9Å; V184-A226 HydrophobicContact CG1-CB 4.32Å; V184-V227 HydrophobicContact CG1-CG2 3.87Å | ||
| 185 | C | 69.3 | Low | 70.5 | Confident | 39 Ų | 39 | 100.3 Ų | 100.3 | 26% | 0.264 | 51% | 0.508 | S | S | . | . | trans | -76.5 | 98.5 | 170.1 | -166.1 | 0 | 0 | 0 | 0 | 110 | E183 C187 Q199 G201 V202 V227 | E183-C185 PolarHBondContact O-N 2.82Å; C185-C187 WeakPolarHBondContact CB-SG 3.36Å; C185-C187 PolarHBondContact O-N 2.77Å; C185-C187 WeakPolarHBondContact SG-CB 3.5Å; C185-C187 CovalentContact SG-SG 2.08Å; C185-C187 PolarHBondContact SG-SG 2.97Å; C185-Q199 WeakPolarHBondContact CB-O 3.44Å; C185-Q199 PolarHBondContact SG-O 2.86Å; C185-Q199 VanDerWaalsContact SG-O 3.42Å; C185-G201 PolarHBondContact O-N 2.68Å; C185-V202 HydrophobicContact CB-CG2 4.26Å; C185-V227 VanDerWaalsContact O-CG2 3.31Å; C185-V227 WeakPolarHBondContact O-CG2 3.5Å | ||
| 186 | I | 58.2 | Low | 68.2 | Low | 101 Ų | 101 | 99 Ų | 99 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | trans | -86.6 | 68.8 | 165.1 | -49.7 | 178.2 | 0 | 0 | 0 | 107.7 | V184 F188 | V184-I186 HydrophobicContact CG1-CD1 4.15Å; V184-I186 HydrophobicContact CG1-CG1 3.67Å; V184-I186 PolarHBondContact O-N 2.9Å; I186-F188 PolarHBondContact O-N 2.89Å; I186-F188 VanDerWaalsContact O-N 3.08Å | ||
| 187 | C | 55.8 | Low | 66.1 | Low | 36 Ų | 36 | 104.8 Ų | 104.8 | 24% | 0.243 | 54% | 0.539 | C | S | . | . | trans | -86.2 | 65.1 | 175.5 | 9.4 | 0 | 0 | 0 | 0 | 109.5 | C185 Q199 | C185-C187 WeakPolarHBondContact CB-SG 3.36Å; C185-C187 PolarHBondContact O-N 2.77Å; C185-C187 WeakPolarHBondContact SG-CB 3.5Å; C185-C187 CovalentContact SG-SG 2.08Å; C185-C187 PolarHBondContact SG-SG 2.97Å; C187-Q199 PolarHBondContact SG-O 3.16Å | ||
| 188 | F | 53.2 | Low | 63.8 | Low | 156 Ų | 156 | 103.3 Ų | 103.3 | 68% | 0.684 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -98.5 | -4.2 | 177.9 | -137.8 | -94.9 | 0 | 0 | 0 | 115 | I186 | I186-F188 PolarHBondContact O-N 2.89Å; I186-F188 VanDerWaalsContact O-N 3.08Å |
| 189 | Y | 45 | Very low | 61.9 | Low | 221 Ų | 221 | 104.6 Ų | 104.6 | 87% | 0.867 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -141.3 | 4 | 176.1 | -83.5 | -77.2 | 0 | 0 | 0 | 116.9 | ||
| 190 | M | 48.1 | Very low | 60 | Low | 177 Ų | 177 | 106.1 Ų | 106.1 | 87% | 0.872 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -100.3 | 106.1 | 174.8 | -75.8 | -165.9 | -156.1 | 0 | 0 | 111.4 | ||
| 191 | R | 48.7 | Very low | 58.6 | Low | 224 Ų | 224 | 103.4 Ų | 103.4 | 85% | 0.845 | 53% | 0.532 | S | S | * | . | trans | 25.2 | 124.5 | 153 | -143 | 177.1 | -169 | -159.6 | 2.6 | 116.1 | V193 | R191-V193 PolarHBondContact O-N 2.93Š| ||
| 192 | P | 48.9 | Very low | 58 | Low | 121 Ų | 121 | 102.7 Ų | 102.7 | 79% | 0.786 | 53% | 0.53 | S | S | * | . | trans | -51.1 | 113.2 | 176.7 | 21.1 | -31.4 | 0 | 0 | 0 | 109.1 | L194 | P192-L194 PolarHBondContact O-N 2.78Å; P192-L194 VanDerWaalsContact O-N 3.12Å | ||
| 193 | V | 50.3 | Low | 57.9 | Low | 89 Ų | 89 | 103.2 Ų | 103.2 | 54% | 0.539 | 53% | 0.532 | S | S | . | . | trans | -56.7 | 122.5 | 172.2 | -177.9 | 0 | 0 | 0 | 0 | 105.4 | R191 T195 G196 | R191-V193 PolarHBondContact O-N 2.93Å; V193-T195 WeakPolarHBondContact CG1-OG1 3.46Å; V193-T195 PolarHBondContact O-N 2.78Å; V193-G196 PolarHBondContact O-N 2.87Å | ||
| 194 | L | 48.9 | Very low | 58.1 | Low | 186 Ų | 186 | 97.6 Ų | 97.6 | 97% | 0.974 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -8.5 | -179.8 | -85.9 | 159.7 | 0 | 0 | 0 | 113.9 | P192 | P192-L194 PolarHBondContact O-N 2.78Å; P192-L194 VanDerWaalsContact O-N 3.12Å |
| 195 | T | 52.3 | Low | 59 | Low | 110 Ų | 110 | 96.6 Ų | 96.6 | 68% | 0.675 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 4.5 | 176.9 | 54.8 | 0 | 0 | 0 | 0 | 114.5 | V193 K197 | V193-T195 WeakPolarHBondContact CG1-OG1 3.46Å; V193-T195 PolarHBondContact O-N 2.78Å; T195-K197 PolarHBondContact O-N 2.89Å |
| 196 | G | 46.4 | Very low | 60.2 | Low | 77 Ų | 77 | 97.9 Ų | 97.9 | 79% | 0.794 | 50% | 0.499 | S | S | * | . | S | Bend | trans | 64 | 8.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V193 | V193-G196 PolarHBondContact O-N 2.87Š|
| 197 | K | 48.9 | Very low | 62 | Low | 132 Ų | 132 | 93 Ų | 93 | 57% | 0.574 | 48% | 0.475 | S | S | * | . | trans | -101.2 | 88.9 | -179.5 | -165.1 | 179.5 | -178.1 | -179 | 0 | 109.1 | T195 Q199 | T195-K197 PolarHBondContact O-N 2.89Å; K197-Q199 HydrophobicContact CD-CG 4.29Å; K197-Q199 HydrophobicContact CG-CG 4.05Å; K197-Q199 PolarHBondContact O-N 2.92Å | ||
| 198 | L | 45.7 | Very low | 64 | Low | 123 Ų | 123 | 92.9 Ų | 92.9 | 64% | 0.644 | 47% | 0.47 | S | S | * | . | trans | -71.7 | 106.8 | 168.3 | -175.9 | 61.5 | 0 | 0 | 0 | 108.1 | I200 | L198-I200 HydrophobicContact CD1-CD1 4.33Å; L198-I200 HydrophobicContact CD1-CG1 4.11Å; L198-I200 HydrophobicContact CD2-CD1 3.49Å; L198-I200 VanDerWaalsContact CD2-CD1 3.49Å; L198-I200 HydrophobicContact CD2-CG1 4.13Å; L198-I200 HydrophobicContact CG-CD1 3.77Å; L198-I200 HydrophobicContact CG-CG1 3.83Å; L198-I200 PolarHBondContact O-N 2.91Å | ||
| 199 | Q | 50.7 | Low | 65.9 | Low | 108 Ų | 108 | 85.7 Ų | 85.7 | 51% | 0.505 | 44% | 0.439 | S | S | . | . | trans | -95 | 68 | 174.6 | -65.8 | -172.9 | -72.2 | 0 | 0 | 109.9 | C185 C187 K197 | C185-Q199 WeakPolarHBondContact CB-O 3.44Å; C185-Q199 PolarHBondContact SG-O 2.86Å; C185-Q199 VanDerWaalsContact SG-O 3.42Å; C187-Q199 PolarHBondContact SG-O 3.16Å; K197-Q199 HydrophobicContact CD-CG 4.29Å; K197-Q199 HydrophobicContact CG-CG 4.05Å; K197-Q199 PolarHBondContact O-N 2.92Å | ||
| 200 | I | 53.5 | Low | 68.2 | Low | 65 Ų | 65 | 80.5 Ų | 80.5 | 33% | 0.333 | 42% | 0.422 | S | S | . | . | trans | -67.4 | 131.3 | 167 | -73.8 | 160.9 | 0 | 0 | 0 | 108 | L198 V227 | L198-I200 HydrophobicContact CD1-CD1 4.33Å; L198-I200 HydrophobicContact CD1-CG1 4.11Å; L198-I200 HydrophobicContact CD2-CD1 3.49Å; L198-I200 VanDerWaalsContact CD2-CD1 3.49Å; L198-I200 HydrophobicContact CD2-CG1 4.13Å; L198-I200 HydrophobicContact CG-CD1 3.77Å; L198-I200 HydrophobicContact CG-CG1 3.83Å; L198-I200 PolarHBondContact O-N 2.91Å; I200-V227 HydrophobicContact CG2-CB 3.75Å; I200-V227 HydrophobicContact CG2-CG1 3.72Å; I200-V227 HydrophobicContact CG2-CG2 3.9Å | ||
| 201 | G | 61.3 | Low | 70.1 | Confident | 7 Ų | 7 | 73.5 Ų | 73.5 | 7% | 0.072 | 39% | 0.388 | C | S | . | . | trans | 55.1 | 89.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C185 H203 P223 | C185-G201 PolarHBondContact O-N 2.68Å; G201-H203 VanDerWaalsContact C-N 3.26Å; G201-H203 PolarHBondContact O-N 3.29Å; G201-P223 WeakPolarHBondContact CA-O 3.42Å; G201-P223 WeakPolarHBondContact O-CB 3.44Å | ||
| 202 | V | 77.3 | Confident | 71.7 | Confident | 32 Ų | 32 | 69.6 Ų | 69.6 | 19% | 0.194 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -65.7 | -37 | -177.7 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | E183 C185 | E183-V202 HydrophobicContact CB-CB 4.2Å; E183-V202 HydrophobicContact CB-CG2 4.43Å; C185-V202 HydrophobicContact CB-CG2 4.26Å |
| 203 | H | 89.3 | Confident | 73.4 | Confident | 21 Ų | 21 | 73.8 Ų | 73.8 | 10% | 0.097 | 38% | 0.384 | C | S | . | . | trans | -119.1 | 129.1 | -173.5 | -61.1 | 104.2 | 0 | 0 | 0 | 111.8 | W182 E183 G201 P223 R262 F263 | W182-H203 HydrophobicContact CB-CB 4.18Å; E183-H203 PolarHBondContact N-ND1 3.01Å; E183-H203 VanDerWaalsContact N-ND1 3.15Å; G201-H203 VanDerWaalsContact C-N 3.26Å; G201-H203 PolarHBondContact O-N 3.29Å; H203-P223 WeakPolarHBondContact O-CA 3.01Å; H203-R262 HydrophobicContact CB-CB 4.17Å; H203-F263 CarbonylContact C-O 3.43Å; H203-F263 WeakPolarHBondContact CA-O 3.22Å | ||
| 204 | G | 92.3 | Very high | 75.1 | Confident | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.01 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 153.4 | 154.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y221 R262 F263 | G204-Y221 WeakPolarHBondContact CA-O 3.35Å; G204-R262 CarbonylContact O-C 3.55Å; G204-R262 WeakPolarHBondContact O-CA 3.44Å; G204-F263 PolarHBondContact N-O 2.83Å; G204-F263 WeakPolarHBondContact O-CD1 3.35Å; G204-F263 PolarHBondContact O-N 2.9Å |
| 205 | I | 94.6 | Very high | 77.1 | Confident | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 130.5 | -175.8 | 59.4 | 166.6 | 0 | 0 | 0 | 111.2 | W182 T220 Y221 T236 I237 L240 L260 | W182-I205 HydrophobicContact CB-CG2 4.02Å; W182-I205 HydrophobicContact CD2-CD1 4.49Å; W182-I205 HydrophobicContact CD2-CG2 3.5Å; W182-I205 VanDerWaalsContact CD2-CG2 3.5Å; W182-I205 HydrophobicContact CE3-CG2 3.64Å; W182-I205 HydrophobicContact CG-CG2 3.66Å; W182-I205 HydrophobicContact CH2-CD1 4.02Å; W182-I205 HydrophobicContact CZ2-CD1 3.79Å; W182-I205 HydrophobicContact CZ3-CD1 4.43Å; W182-I205 HydrophobicContact CZ3-CG2 4.25Å; I205-T220 VanDerWaalsContact O-CA 3.31Å; I205-T220 WeakPolarHBondContact O-CA 3.1Å; I205-T220 WeakPolarHBondContact O-CG2 3.16Å; I205-Y221 PolarHBondContact N-O 2.74Å; I205-Y221 PolarHBondContact O-N 3.33Å; I205-T236 HydrophobicContact CD1-CG2 3.7Å; I205-I237 HydrophobicContact CD1-CD1 3.91Å; I205-L240 HydrophobicContact CD1-CD2 3.86Å; I205-L240 HydrophobicContact CG1-CD2 3.94Å; I205-L260 HydrophobicContact CB-CD1 4.36Å; I205-L260 HydrophobicContact CB-CG 4.46Å; I205-L260 HydrophobicContact CD1-CD1 4.49Å; I205-L260 HydrophobicContact CG2-CD1 4.23Å; I205-L260 HydrophobicContact CG2-CD2 4.13Å; I205-L260 HydrophobicContact CG2-CG 4.46Å |
| 206 | R | 95.5 | Very high | 79 | Confident | 66 Ų | 66 | 66.4 Ų | 66.4 | 25% | 0.249 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 124.7 | 168 | 173.1 | 177.9 | 169.3 | -169.5 | -3.7 | 107.7 | E208 A219 T220 I261 F263 | R206-E208 IonicContact CZ-OE1 3.02Å; R206-E208 VanDerWaalsContact CZ-OE1 3.32Å; R206-E208 IonicContact NE-OE1 2.78Å; R206-E208 IonicContact NH2-OE1 3.88Å; R206-E208 PolarHBondContact NH2-OE1 2.91Å; R206-A219 WeakPolarHBondContact CA-O 3.49Å; R206-T220 HydrophobicContact CB-CG2 4.18Å; R206-I261 HydrophobicContact CB-CB 4.39Å; R206-I261 PolarHBondContact N-O 3.2Å; R206-I261 PolarHBondContact O-N 2.86Å; R206-F263 HydrophobicContact CB-CE1 4.4Å |
| 207 | I | 96.2 | Very high | 81.3 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 146.3 | 174 | 64.3 | 173.5 | 0 | 0 | 0 | 110.5 | F209 A218 A219 I237 L240 L241 V258 C259 L260 | I207-F209 HydrophobicContact CD1-CD1 3.98Å; I207-F209 HydrophobicContact CD1-CE1 4.01Å; I207-F209 HydrophobicContact CG1-CD1 4.13Å; I207-F209 HydrophobicContact CG1-CE1 4.27Å; I207-A218 WeakPolarHBondContact O-CA 3.43Å; I207-A218 WeakPolarHBondContact O-CB 3.24Å; I207-A219 HydrophobicContact CG1-CB 4.37Å; I207-A219 PolarHBondContact N-O 2.85Å; I207-A219 PolarHBondContact O-N 2.92Å; I207-A219 VanDerWaalsContact O-N 3.11Å; I207-I237 HydrophobicContact CG2-CD1 3.93Å; I207-L240 HydrophobicContact CB-CD2 4.29Å; I207-L240 HydrophobicContact CD1-CB 3.89Å; I207-L240 HydrophobicContact CD1-CD2 3.92Å; I207-L240 HydrophobicContact CD1-CG 3.6Å; I207-L240 HydrophobicContact CG1-CD2 3.71Å; I207-L240 HydrophobicContact CG1-CG 3.73Å; I207-L240 HydrophobicContact CG2-CD2 3.84Å; I207-L241 HydrophobicContact CD1-CD2 3.72Å; I207-L241 HydrophobicContact CD1-CG 3.87Å; I207-V258 HydrophobicContact CB-CG1 3.54Å; I207-V258 HydrophobicContact CD1-CG1 4.45Å; I207-V258 HydrophobicContact CG2-CG1 3.68Å; I207-C259 CarbonylContact C-O 3.56Å; I207-C259 WeakPolarHBondContact CA-O 3.47Å; I207-L260 HydrophobicContact CG2-CD1 4.32Å; I207-L260 HydrophobicContact CG2-CG 4.38Å |
| 208 | E | 96.1 | Very high | 83.5 | Confident | 32 Ų | 32 | 63 Ų | 63 | 15% | 0.15 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 131.5 | 169.3 | -52.5 | -164.7 | 151.5 | 0 | 0 | 109.4 | R206 K216 K217 A218 C259 | R206-E208 IonicContact CZ-OE1 3.02Å; R206-E208 VanDerWaalsContact CZ-OE1 3.32Å; R206-E208 IonicContact NE-OE1 2.78Å; R206-E208 IonicContact NH2-OE1 3.88Å; R206-E208 PolarHBondContact NH2-OE1 2.91Å; E208-K216 WeakPolarHBondContact OE2-CE 3.2Å; E208-K216 IonicContact OE2-NZ 2.85Å; E208-K216 PolarHBondContact OE2-NZ 3.15Å; E208-K217 WeakPolarHBondContact CA-O 3.25Å; E208-A218 HydrophobicContact CG-CB 4.31Å; E208-C259 HydrophobicContact CB-CB 4.3Å; E208-C259 PolarHBondContact N-O 2.75Å; E208-C259 PolarHBondContact O-N 3.17Å |
| 209 | F | 95.1 | Very high | 85.8 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 164 | -177.2 | 63.1 | -85.9 | 0 | 0 | 0 | 110.9 | I207 K217 L241 Y246 F254 V258 | I207-F209 HydrophobicContact CD1-CD1 3.98Å; I207-F209 HydrophobicContact CD1-CE1 4.01Å; I207-F209 HydrophobicContact CG1-CD1 4.13Å; I207-F209 HydrophobicContact CG1-CE1 4.27Å; F209-K217 HydrophobicContact CD2-CB 4.29Å; F209-K217 HydrophobicContact CE1-CB 4.04Å; F209-K217 HydrophobicContact CE2-CB 3.77Å; F209-K217 HydrophobicContact CE2-CG 4.33Å; F209-K217 HydrophobicContact CZ-CB 3.65Å; F209-K217 HydrophobicContact CZ-CG 4.49Å; F209-K217 PolarHBondContact N-O 2.77Å; F209-K217 PolarHBondContact O-N 2.7Å; F209-L241 HydrophobicContact CB-CD2 4.28Å; F209-L241 HydrophobicContact CD1-CD2 3.51Å; F209-L241 HydrophobicContact CD2-CD2 3.95Å; F209-L241 HydrophobicContact CE1-CD2 3.69Å; F209-L241 HydrophobicContact CE2-CD2 4.12Å; F209-L241 HydrophobicContact CG-CD2 3.64Å; F209-L241 HydrophobicContact CZ-CD2 3.98Å; F209-Y246 HydrophobicContact CE2-CD2 4.36Å; F209-Y246 HydrophobicContact CE2-CG 4.44Å; F209-F254 HydrophobicContact CD2-CZ 4.17Å; F209-V258 HydrophobicContact CB-CG2 4.34Å |
| 210 | H | 92.3 | Very high | 87.9 | Confident | 112 Ų | 112 | 53.2 Ų | 53.2 | 52% | 0.519 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 135.5 | 172.5 | -63.1 | 84.7 | 0 | 0 | 0 | 109.1 | S215 | H210-S215 WeakPolarHBondContact CA-O 3.45Å |
| 211 | N | 87.4 | Confident | 89.7 | Confident | 30 Ų | 30 | 51.5 Ų | 51.5 | 16% | 0.16 | 27% | 0.265 | C | S | . | . | trans | -75.3 | 175.5 | 169.8 | 69.7 | 2.5 | 0 | 0 | 0 | 111 | R213 G214 S215 | N211-R213 PolarHBondContact O-N 3.4Å; N211-R213 VanDerWaalsContact O-N 3.15Å; N211-R213 WeakPolarHBondContact OD1-CA 3.46Å; N211-R213 WeakPolarHBondContact OD1-CB 3.22Å; N211-R213 PolarHBondContact OD1-N 2.95Å; N211-R213 VanDerWaalsContact OD1-N 3.09Å; N211-G214 PolarHBondContact O-N 3.42Å; N211-G214 PolarHBondContact OD1-N 2.92Å; N211-G214 VanDerWaalsContact OD1-N 3.09Å; N211-S215 PolarHBondContact N-O 3.15Å; N211-S215 WeakPolarHBondContact OD1-CA 3.44Å; N211-S215 WeakPolarHBondContact OD1-CB 3.29Å; N211-S215 PolarHBondContact OD1-N 3.3Å; N211-S215 PolarHBondContact OD1-O 3.36Å | ||
| 212 | D | 83.7 | Confident | 91 | Very high | 141 Ų | 141 | 52.3 Ų | 52.3 | 75% | 0.754 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -29.7 | 172.3 | 58.3 | -22.7 | 0 | 0 | 0 | 113.9 | G214 | D212-G214 VanDerWaalsContact C-N 3.29Š|
| 213 | R | 84.7 | Confident | 91.5 | Very high | 209 Ų | 209 | 51.1 Ų | 51.1 | 79% | 0.789 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 5.1 | 176.6 | -57.4 | -178.1 | -178.7 | -156 | -3.4 | 113.8 | N211 S215 | N211-R213 PolarHBondContact O-N 3.4Å; N211-R213 VanDerWaalsContact O-N 3.15Å; N211-R213 WeakPolarHBondContact OD1-CA 3.46Å; N211-R213 WeakPolarHBondContact OD1-CB 3.22Å; N211-R213 PolarHBondContact OD1-N 2.95Å; N211-R213 VanDerWaalsContact OD1-N 3.09Å; R213-S215 PolarHBondContact O-N 3.33Å |
| 214 | G | 85 | Confident | 91.2 | Very high | 53 Ų | 53 | 51.7 Ų | 51.7 | 55% | 0.546 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 71.4 | 6.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | N211 D212 | N211-G214 PolarHBondContact O-N 3.42Å; N211-G214 PolarHBondContact OD1-N 2.92Å; N211-G214 VanDerWaalsContact OD1-N 3.09Å; D212-G214 VanDerWaalsContact C-N 3.29Å |
| 215 | S | 90.3 | Very high | 90.9 | Very high | 52 Ų | 52 | 53.1 Ų | 53.1 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | trans | -76.1 | 128.1 | 174.9 | -46.6 | 0 | 0 | 0 | 0 | 110.3 | H210 N211 R213 | H210-S215 WeakPolarHBondContact CA-O 3.45Å; N211-S215 PolarHBondContact N-O 3.15Å; N211-S215 WeakPolarHBondContact OD1-CA 3.44Å; N211-S215 WeakPolarHBondContact OD1-CB 3.29Å; N211-S215 PolarHBondContact OD1-N 3.3Å; N211-S215 PolarHBondContact OD1-O 3.36Å; R213-S215 PolarHBondContact O-N 3.33Å | ||
| 216 | K | 93.5 | Very high | 90.6 | Very high | 125 Ų | 125 | 53.2 Ų | 53.2 | 54% | 0.543 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 133.1 | 172.9 | -168.9 | 174.6 | -179.2 | 179.8 | 0 | 110.1 | E208 | E208-K216 WeakPolarHBondContact OE2-CE 3.2Å; E208-K216 IonicContact OE2-NZ 2.85Å; E208-K216 PolarHBondContact OE2-NZ 3.15Å |
| 217 | K | 95.2 | Very high | 90.2 | Very high | 86 Ų | 86 | 51 Ų | 51 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 154.9 | 175.9 | -65.1 | -62.7 | 177.4 | -169 | 0 | 109.4 | E208 F209 | E208-K217 WeakPolarHBondContact CA-O 3.25Å; F209-K217 HydrophobicContact CD2-CB 4.29Å; F209-K217 HydrophobicContact CE1-CB 4.04Å; F209-K217 HydrophobicContact CE2-CB 3.77Å; F209-K217 HydrophobicContact CE2-CG 4.33Å; F209-K217 HydrophobicContact CZ-CB 3.65Å; F209-K217 HydrophobicContact CZ-CG 4.49Å; F209-K217 PolarHBondContact N-O 2.77Å; F209-K217 PolarHBondContact O-N 2.7Å |
| 218 | A | 94.1 | Very high | 89.7 | Confident | 51 Ų | 51 | 57.4 Ų | 57.4 | 42% | 0.421 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 149.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110.1 | I207 E208 | I207-A218 WeakPolarHBondContact O-CA 3.43Å; I207-A218 WeakPolarHBondContact O-CB 3.24Å; E208-A218 HydrophobicContact CG-CB 4.31Å |
| 219 | A | 94.5 | Very high | 89.3 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 7% | 0.066 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 147.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | R206 I207 L240 | R206-A219 WeakPolarHBondContact CA-O 3.49Å; I207-A219 HydrophobicContact CG1-CB 4.37Å; I207-A219 PolarHBondContact N-O 2.85Å; I207-A219 PolarHBondContact O-N 2.92Å; I207-A219 VanDerWaalsContact O-N 3.11Å; A219-L240 HydrophobicContact CB-CD1 3.46Å; A219-L240 VanDerWaalsContact CB-CD1 3.46Å; A219-L240 HydrophobicContact CB-CG 3.87Å; A219-L240 WeakPolarHBondContact CB-O 3.34Å |
| 220 | T | 93.3 | Very high | 88.9 | Confident | 18 Ų | 18 | 63.2 Ų | 63.2 | 11% | 0.11 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 144.5 | -179.8 | -49.5 | 0 | 0 | 0 | 0 | 112.3 | F129 I205 R206 K243 F263 | F129-T220 HydrophobicContact CE1-CG2 3.44Å; F129-T220 VanDerWaalsContact CE1-CG2 3.44Å; F129-T220 HydrophobicContact CE2-CG2 4.01Å; F129-T220 WeakPolarHBondContact CE2-OG1 3.37Å; F129-T220 HydrophobicContact CZ-CG2 3.07Å; F129-T220 WeakPolarHBondContact CZ-OG1 3.48Å; I205-T220 VanDerWaalsContact O-CA 3.31Å; I205-T220 WeakPolarHBondContact O-CA 3.1Å; I205-T220 WeakPolarHBondContact O-CG2 3.16Å; R206-T220 HydrophobicContact CB-CG2 4.18Å; T220-K243 PolarHBondContact O-NZ 3.32Å; T220-F263 HydrophobicContact CG2-CE1 3.55Å; T220-F263 HydrophobicContact CG2-CZ 3.56Å |
| 221 | Y | 92.4 | Very high | 88.8 | Confident | 29 Ų | 29 | 60.4 Ų | 60.4 | 11% | 0.114 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 140.5 | 159.2 | -77 | -41 | 0 | 0 | 0 | 111 | G204 I205 V225 W231 T236 S239 L240 K243 F263 | G204-Y221 WeakPolarHBondContact CA-O 3.35Å; I205-Y221 PolarHBondContact N-O 2.74Å; I205-Y221 PolarHBondContact O-N 3.33Å; Y221-V225 HydrophobicContact CD1-CB 4.01Å; Y221-V225 HydrophobicContact CD1-CG1 3.52Å; Y221-V225 HydrophobicContact CD1-CG2 4.14Å; Y221-V225 HydrophobicContact CD2-CG1 4.4Å; Y221-V225 HydrophobicContact CE1-CG1 3.8Å; Y221-V225 HydrophobicContact CG-CB 4.11Å; Y221-V225 HydrophobicContact CG-CG1 3.86Å; Y221-W231 HydrophobicContact CD2-CZ3 4.35Å; Y221-W231 HydrophobicContact CE2-CE3 4.41Å; Y221-W231 HydrophobicContact CE2-CH2 4.48Å; Y221-W231 AromaticContact CE2-CZ3 3.62Å; Y221-W231 HydrophobicContact CE2-CZ3 3.62Å; Y221-W231 AromaticContact CZ-CZ3 3.8Å; Y221-T236 HydrophobicContact CD2-CG2 3.96Å; Y221-S239 PolarHBondContact OH-OG 3.5Å; Y221-S239 VanDerWaalsContact OH-OG 3.09Å; Y221-L240 HydrophobicContact CD1-CD1 4.23Å; Y221-L240 HydrophobicContact CD2-CB 3.9Å; Y221-L240 HydrophobicContact CD2-CD1 3.57Å; Y221-L240 HydrophobicContact CD2-CD2 4.11Å; Y221-L240 HydrophobicContact CD2-CG 4.06Å; Y221-L240 HydrophobicContact CE1-CD1 4.33Å; Y221-L240 HydrophobicContact CE2-CB 3.66Å; Y221-L240 HydrophobicContact CE2-CD1 3.64Å; Y221-L240 HydrophobicContact CE2-CG 4.17Å; Y221-L240 HydrophobicContact CG-CD1 3.85Å; Y221-K243 HydrophobicContact CD1-CD 4.3Å; Y221-K243 HydrophobicContact CE1-CD 3.45Å; Y221-K243 VanDerWaalsContact CE1-CD 3.45Å; Y221-F263 WeakPolarHBondContact O-CZ 3.37Å |
| 222 | L | 88.4 | Confident | 88.9 | Confident | 25 Ų | 25 | 62.6 Ų | 62.6 | 13% | 0.131 | 33% | 0.334 | C | S | . | . | trans | -73.4 | 158.3 | 170.1 | -63.7 | 179.7 | 0 | 0 | 0 | 109.7 | L170 E224 V225 F263 | L170-L222 HydrophobicContact CD2-CD2 3.99Å; L222-E224 HydrophobicContact CB-CG 4.43Å; L222-E224 WeakPolarHBondContact CB-OE2 3.33Å; L222-E224 PolarHBondContact O-N 3.19Å; L222-E224 VanDerWaalsContact O-N 3.13Å; L222-V225 HydrophobicContact CB-CG2 4.24Å; L222-V225 PolarHBondContact O-N 2.85Å; L222-F263 HydrophobicContact CD2-CE2 4.24Å; L222-F263 HydrophobicContact CD2-CZ 4.33Å | ||
| 223 | P | 87.3 | Confident | 89.3 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 5% | 0.045 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57 | -31.8 | -173.5 | -13.2 | 17.5 | 0 | 0 | 0 | 114.6 | G201 H203 V225 S265 | G201-P223 WeakPolarHBondContact CA-O 3.42Å; G201-P223 WeakPolarHBondContact O-CB 3.44Å; H203-P223 WeakPolarHBondContact O-CA 3.01Å; P223-V225 PolarHBondContact O-N 3.3Å; P223-S265 WeakPolarHBondContact CG-OG 3.26Å |
| 224 | E | 83.4 | Confident | 89.7 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 15% | 0.15 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.8 | -27.6 | 178.1 | 57.3 | -97.5 | -125.7 | 0 | 0 | 114.2 | L222 A226 V227 E228 K267 | L222-E224 HydrophobicContact CB-CG 4.43Å; L222-E224 WeakPolarHBondContact CB-OE2 3.33Å; L222-E224 PolarHBondContact O-N 3.19Å; L222-E224 VanDerWaalsContact O-N 3.13Å; E224-A226 PolarHBondContact O-N 3.29Å; E224-V227 PolarHBondContact O-N 3.31Å; E224-E228 WeakPolarHBondContact O-CB 3.48Å; E224-E228 WeakPolarHBondContact O-CG 3.21Å; E224-E228 PolarHBondContact O-N 3.39Å; E224-K267 IonicContact OE1-NZ 3.26Å; E224-K267 PolarHBondContact OE1-NZ 3.11Å |
| 225 | V | 86.8 | Confident | 90.2 | Very high | 31 Ų | 31 | 53.6 Ų | 53.6 | 19% | 0.188 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.3 | -45.5 | -165.7 | 179.4 | 0 | 0 | 0 | 0 | 112.3 | Y221 L222 P223 V227 E228 Q229 W231 | Y221-V225 HydrophobicContact CD1-CB 4.01Å; Y221-V225 HydrophobicContact CD1-CG1 3.52Å; Y221-V225 HydrophobicContact CD1-CG2 4.14Å; Y221-V225 HydrophobicContact CD2-CG1 4.4Å; Y221-V225 HydrophobicContact CE1-CG1 3.8Å; Y221-V225 HydrophobicContact CG-CB 4.11Å; Y221-V225 HydrophobicContact CG-CG1 3.86Å; L222-V225 HydrophobicContact CB-CG2 4.24Å; L222-V225 PolarHBondContact O-N 2.85Å; P223-V225 PolarHBondContact O-N 3.3Å; V225-V227 VanDerWaalsContact C-N 3.28Å; V225-V227 PolarHBondContact O-N 2.96Å; V225-E228 PolarHBondContact O-N 3.2Å; V225-Q229 HydrophobicContact CG1-CG 4.41Å; V225-Q229 WeakPolarHBondContact O-CB 3.47Å; V225-Q229 VanDerWaalsContact O-CG 3.22Å; V225-Q229 WeakPolarHBondContact O-CG 3.47Å; V225-Q229 PolarHBondContact O-N 2.89Å; V225-Q229 VanDerWaalsContact O-N 3.13Å; V225-W231 HydrophobicContact CG1-CZ3 4.31Å |
| 226 | A | 88.1 | Confident | 90.3 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | W182 V184 E224 Q229 G230 W231 T236 | W182-A226 HydrophobicContact CH2-CB 4.1Å; W182-A226 HydrophobicContact CZ3-CB 4.23Å; V184-A226 HydrophobicContact CG1-CB 4.32Å; E224-A226 PolarHBondContact O-N 3.29Å; A226-Q229 PolarHBondContact O-N 3.25Å; A226-G230 PolarHBondContact O-N 3.03Å; A226-G230 VanDerWaalsContact O-N 3.11Å; A226-W231 PolarHBondContact O-N 2.79Å; A226-T236 HydrophobicContact CB-CG2 3.92Å |
| 227 | V | 86.6 | Confident | 90.5 | Very high | 19 Ų | 19 | 45.1 Ų | 45.1 | 12% | 0.115 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73 | -42.8 | -178.6 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | V184 C185 I200 E224 V225 Q229 G230 | V184-V227 HydrophobicContact CG1-CG2 3.87Å; C185-V227 VanDerWaalsContact O-CG2 3.31Å; C185-V227 WeakPolarHBondContact O-CG2 3.5Å; I200-V227 HydrophobicContact CG2-CB 3.75Å; I200-V227 HydrophobicContact CG2-CG1 3.72Å; I200-V227 HydrophobicContact CG2-CG2 3.9Å; E224-V227 PolarHBondContact O-N 3.31Å; V225-V227 VanDerWaalsContact C-N 3.28Å; V225-V227 PolarHBondContact O-N 2.96Å; V227-Q229 PolarHBondContact O-N 3.31Å; V227-G230 PolarHBondContact O-N 2.75Å |
| 228 | E | 85.9 | Confident | 90.5 | Very high | 135 Ų | 135 | 42.9 Ų | 42.9 | 63% | 0.631 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -60.8 | -33 | 176.4 | -76.5 | 179.1 | 179.6 | 0 | 0 | 112.5 | E224 V225 | E224-E228 WeakPolarHBondContact O-CB 3.48Å; E224-E228 WeakPolarHBondContact O-CG 3.21Å; E224-E228 PolarHBondContact O-N 3.39Å; V225-E228 PolarHBondContact O-N 3.2Å |
| 229 | Q | 87.2 | Confident | 90.6 | Very high | 110 Ų | 110 | 41.9 Ų | 41.9 | 51% | 0.514 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -9.5 | 177.1 | -60.6 | -61.3 | -47.2 | 0 | 0 | 113.4 | V225 A226 V227 W231 | V225-Q229 HydrophobicContact CG1-CG 4.41Å; V225-Q229 WeakPolarHBondContact O-CB 3.47Å; V225-Q229 VanDerWaalsContact O-CG 3.22Å; V225-Q229 WeakPolarHBondContact O-CG 3.47Å; V225-Q229 PolarHBondContact O-N 2.89Å; V225-Q229 VanDerWaalsContact O-N 3.13Å; A226-Q229 PolarHBondContact O-N 3.25Å; V227-Q229 PolarHBondContact O-N 3.31Å; Q229-W231 HydrophobicContact CB-CD2 3.44Å; Q229-W231 VanDerWaalsContact CB-CD2 3.44Å; Q229-W231 VanDerWaalsContact CB-CE2 3.4Å; Q229-W231 HydrophobicContact CB-CE3 3.87Å; Q229-W231 HydrophobicContact CB-CG 3.75Å; Q229-W231 HydrophobicContact CB-CH2 4.19Å; Q229-W231 HydrophobicContact CB-CZ2 3.81Å; Q229-W231 HydrophobicContact CB-CZ3 4.22Å; Q229-W231 HydrophobicContact CG-CD2 4.07Å; Q229-W231 HydrophobicContact CG-CE3 4.09Å; Q229-W231 HydrophobicContact CG-CH2 3.74Å; Q229-W231 HydrophobicContact CG-CZ2 3.73Å; Q229-W231 HydrophobicContact CG-CZ3 3.92Å; Q229-W231 PolarHBondContact O-N 3.11Å |
| 230 | G | 87.1 | Confident | 90.7 | Very high | 49 Ų | 49 | 41.5 Ų | 41.5 | 51% | 0.505 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 29.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A226 V227 | A226-G230 PolarHBondContact O-N 3.03Å; A226-G230 VanDerWaalsContact O-N 3.11Å; V227-G230 PolarHBondContact O-N 2.75Å |
| 231 | W | 89.8 | Confident | 90.8 | Very high | 54 Ų | 54 | 40.7 Ų | 40.7 | 21% | 0.205 | 21% | 0.214 | C | C | . | . | trans | -82.3 | 137.3 | -179.8 | -68.3 | -20.6 | 0 | 0 | 0 | 111.4 | Y221 V225 A226 Q229 Q235 T236 S239 | Y221-W231 HydrophobicContact CD2-CZ3 4.35Å; Y221-W231 HydrophobicContact CE2-CE3 4.41Å; Y221-W231 HydrophobicContact CE2-CH2 4.48Å; Y221-W231 AromaticContact CE2-CZ3 3.62Å; Y221-W231 HydrophobicContact CE2-CZ3 3.62Å; Y221-W231 AromaticContact CZ-CZ3 3.8Å; V225-W231 HydrophobicContact CG1-CZ3 4.31Å; A226-W231 PolarHBondContact O-N 2.79Å; Q229-W231 HydrophobicContact CB-CD2 3.44Å; Q229-W231 VanDerWaalsContact CB-CD2 3.44Å; Q229-W231 VanDerWaalsContact CB-CE2 3.4Å; Q229-W231 HydrophobicContact CB-CE3 3.87Å; Q229-W231 HydrophobicContact CB-CG 3.75Å; Q229-W231 HydrophobicContact CB-CH2 4.19Å; Q229-W231 HydrophobicContact CB-CZ2 3.81Å; Q229-W231 HydrophobicContact CB-CZ3 4.22Å; Q229-W231 HydrophobicContact CG-CD2 4.07Å; Q229-W231 HydrophobicContact CG-CE3 4.09Å; Q229-W231 HydrophobicContact CG-CH2 3.74Å; Q229-W231 HydrophobicContact CG-CZ2 3.73Å; Q229-W231 HydrophobicContact CG-CZ3 3.92Å; Q229-W231 PolarHBondContact O-N 3.11Å; W231-Q235 HydrophobicContact CB-CB 3.87Å; W231-Q235 HydrophobicContact CG-CB 3.96Å; W231-T236 VanDerWaalsContact CB-OG1 3.22Å; W231-T236 WeakPolarHBondContact CB-OG1 3.18Å; W231-T236 HydrophobicContact CE3-CG2 4.36Å; W231-S239 WeakPolarHBondContact CH2-OG 3.5Å; W231-S239 VanDerWaalsContact CZ3-OG 3.3Å; W231-S239 WeakPolarHBondContact CZ3-OG 3.37Å | ||
| 232 | D | 90 | Very high | 91 | Very high | 76 Ų | 76 | 45 Ų | 45 | 41% | 0.406 | 23% | 0.23 | S | C | . | . | trans | -74.4 | 179.7 | 161.6 | 70 | 22 | 0 | 0 | 0 | 111.1 | I234 Q235 T236 | D232-I234 VanDerWaalsContact C-N 3.33Å; D232-I234 PolarHBondContact O-N 2.89Å; D232-I234 PolarHBondContact OD1-N 2.99Å; D232-Q235 VanDerWaalsContact N-OE1 3.13Å; D232-Q235 WeakPolarHBondContact OD1-CB 3.34Å; D232-Q235 VanDerWaalsContact OD1-CG 3.29Å; D232-Q235 WeakPolarHBondContact OD1-CG 3.21Å; D232-Q235 PolarHBondContact OD1-N 2.69Å; D232-T236 WeakPolarHBondContact O-CB 3.47Å; D232-T236 PolarHBondContact O-N 2.7Å; D232-T236 PolarHBondContact O-OG1 3.47Å | ||
| 233 | H | 90.6 | Very high | 91.3 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 25% | 0.245 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58 | -43.7 | 179.1 | -64.1 | 74.3 | 0 | 0 | 0 | 112.8 | M180 W182 T236 I237 | M180-H233 HydrophobicContact CE-CB 4.5Å; M180-H233 PolarHBondContact O-CD2 2.81Å; M180-H233 PolarHBondContact O-NE2 2.92Å; M180-H233 HydrophobicContact SD-CB 3.35Å; M180-H233 WeakPolarHBondContact SD-CB 3.2Å; W182-H233 AromaticContact CD1-CD2 3.99Å; W182-H233 AromaticContact CD2-CD2 3.96Å; W182-H233 AromaticContact CE2-CD2 3.44Å; W182-H233 VanDerWaalsContact CE2-CD2 3.44Å; W182-H233 HydrophobicContact CZ2-CB 4.19Å; W182-H233 AromaticContact CZ2-CD2 3.76Å; W182-H233 AromaticContact NE1-CD2 3.48Å; W182-H233 PolarHBondContact NE1-CD2 3.26Å; W182-H233 PolarHBondContact O-NE2 2.99Å; H233-T236 PolarHBondContact O-N 2.87Å; H233-I237 WeakPolarHBondContact O-CG1 3.48Å; H233-I237 PolarHBondContact O-N 3.46Å |
| 234 | I | 94 | Very high | 91.6 | Very high | 66 Ų | 66 | 49.9 Ų | 49.9 | 34% | 0.338 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.2 | -50.3 | -177 | -64.9 | 176.5 | 0 | 0 | 0 | 110.2 | M180 D232 T236 I237 D238 | M180-I234 HydrophobicContact CE-CD1 4.13Å; M180-I234 HydrophobicContact CE-CG1 3.61Å; D232-I234 VanDerWaalsContact C-N 3.33Å; D232-I234 PolarHBondContact O-N 2.89Å; D232-I234 PolarHBondContact OD1-N 2.99Å; I234-T236 VanDerWaalsContact C-N 3.27Å; I234-T236 PolarHBondContact O-N 2.82Å; I234-I237 PolarHBondContact O-N 2.91Å; I234-D238 WeakPolarHBondContact O-CB 3.48Å; I234-D238 PolarHBondContact O-N 2.76Å |
| 235 | Q | 94.7 | Very high | 92 | Very high | 94 Ų | 94 | 50.6 Ų | 50.6 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60 | -40.3 | 179.2 | -69.2 | 174.7 | -35.4 | 0 | 0 | 111.1 | W231 D232 S239 | W231-Q235 HydrophobicContact CB-CB 3.87Å; W231-Q235 HydrophobicContact CG-CB 3.96Å; D232-Q235 VanDerWaalsContact N-OE1 3.13Å; D232-Q235 WeakPolarHBondContact OD1-CB 3.34Å; D232-Q235 VanDerWaalsContact OD1-CG 3.29Å; D232-Q235 WeakPolarHBondContact OD1-CG 3.21Å; D232-Q235 PolarHBondContact OD1-N 2.69Å; Q235-S239 WeakPolarHBondContact O-CB 3.49Å; Q235-S239 PolarHBondContact O-N 3.09Å |
| 236 | T | 94.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.1 | -48.7 | 177.6 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | W182 I205 Y221 A226 W231 D232 H233 I234 S239 L240 | W182-T236 HydrophobicContact CH2-CG2 3.71Å; W182-T236 HydrophobicContact CZ2-CG2 4.09Å; I205-T236 HydrophobicContact CD1-CG2 3.7Å; Y221-T236 HydrophobicContact CD2-CG2 3.96Å; A226-T236 HydrophobicContact CB-CG2 3.92Å; W231-T236 VanDerWaalsContact CB-OG1 3.22Å; W231-T236 WeakPolarHBondContact CB-OG1 3.18Å; W231-T236 HydrophobicContact CE3-CG2 4.36Å; D232-T236 WeakPolarHBondContact O-CB 3.47Å; D232-T236 PolarHBondContact O-N 2.7Å; D232-T236 PolarHBondContact O-OG1 3.47Å; H233-T236 PolarHBondContact O-N 2.87Å; I234-T236 VanDerWaalsContact C-N 3.27Å; I234-T236 PolarHBondContact O-N 2.82Å; T236-S239 PolarHBondContact O-N 3.15Å; T236-L240 WeakPolarHBondContact O-CB 3.44Å; T236-L240 PolarHBondContact O-N 3.31Å |
| 237 | I | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.6 | -43.8 | -179.5 | -65.9 | -66.8 | 0 | 0 | 0 | 111 | Y179 I205 I207 H233 I234 S239 L240 L241 R255 L260 | Y179-I237 HydrophobicContact CD2-CG1 4.21Å; I205-I237 HydrophobicContact CD1-CD1 3.91Å; I207-I237 HydrophobicContact CG2-CD1 3.93Å; H233-I237 WeakPolarHBondContact O-CG1 3.48Å; H233-I237 PolarHBondContact O-N 3.46Å; I234-I237 PolarHBondContact O-N 2.91Å; I237-S239 PolarHBondContact O-N 2.95Å; I237-L240 PolarHBondContact O-N 2.88Å; I237-L241 HydrophobicContact CG2-CD1 4.14Å; I237-L241 HydrophobicContact CG2-CG 4.45Å; I237-L241 WeakPolarHBondContact O-CB 3.43Å; I237-L241 WeakPolarHBondContact O-CG 3.4Å; I237-L241 PolarHBondContact O-N 3.25Å; I237-R255 HydrophobicContact CG2-CG 4.44Å; I237-L260 HydrophobicContact CD1-CD1 3.67Å |
| 238 | D | 96.4 | Very high | 92.7 | Very high | 39 Ų | 39 | 59.8 Ų | 59.8 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 178.1 | -75.1 | 9.1 | 0 | 0 | 0 | 111.2 | I234 L240 L241 R242 I250 R255 | I234-D238 WeakPolarHBondContact O-CB 3.48Å; I234-D238 PolarHBondContact O-N 2.76Å; D238-L240 VanDerWaalsContact C-N 3.31Å; D238-L240 PolarHBondContact O-N 3.03Å; D238-L241 PolarHBondContact O-N 2.85Å; D238-R242 WeakPolarHBondContact O-CG 3.47Å; D238-R242 PolarHBondContact O-N 2.88Å; D238-I250 HydrophobicContact CB-CD1 3.94Å; D238-I250 WeakPolarHBondContact OD1-CG2 3.44Å; D238-R255 IonicContact OD1-CZ 3.36Å; D238-R255 IonicContact OD1-NE 2.74Å; D238-R255 PolarHBondContact OD1-NE 3.28Å; D238-R255 IonicContact OD1-NH2 3.34Å; D238-R255 PolarHBondContact OD1-NH2 2.85Å; D238-R255 VanDerWaalsContact OD1-NH2 3.14Å; D238-R255 IonicContact OD2-CZ 3.73Å; D238-R255 IonicContact OD2-NE 3.84Å; D238-R255 IonicContact OD2-NH2 2.67Å; D238-R255 PolarHBondContact OD2-NH2 3.42Å |
| 239 | S | 96.3 | Very high | 93 | Very high | 30 Ų | 30 | 60.6 Ų | 60.6 | 21% | 0.21 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 175.6 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | Y221 W231 Q235 T236 I237 R242 K243 | Y221-S239 PolarHBondContact OH-OG 3.5Å; Y221-S239 VanDerWaalsContact OH-OG 3.09Å; W231-S239 WeakPolarHBondContact CH2-OG 3.5Å; W231-S239 VanDerWaalsContact CZ3-OG 3.3Å; W231-S239 WeakPolarHBondContact CZ3-OG 3.37Å; Q235-S239 WeakPolarHBondContact O-CB 3.49Å; Q235-S239 PolarHBondContact O-N 3.09Å; T236-S239 PolarHBondContact O-N 3.15Å; I237-S239 PolarHBondContact O-N 2.95Å; S239-R242 WeakPolarHBondContact O-CB 3.06Å; S239-R242 PolarHBondContact O-N 3.43Å; S239-K243 WeakPolarHBondContact O-CB 3.35Å; S239-K243 PolarHBondContact O-N 3.09Å |
| 240 | L | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.3 | -37.2 | -179.3 | -168.8 | 55.7 | 0 | 0 | 0 | 112.4 | I205 I207 A219 Y221 T236 I237 D238 K243 G244 | I205-L240 HydrophobicContact CD1-CD2 3.86Å; I205-L240 HydrophobicContact CG1-CD2 3.94Å; I207-L240 HydrophobicContact CB-CD2 4.29Å; I207-L240 HydrophobicContact CD1-CB 3.89Å; I207-L240 HydrophobicContact CD1-CD2 3.92Å; I207-L240 HydrophobicContact CD1-CG 3.6Å; I207-L240 HydrophobicContact CG1-CD2 3.71Å; I207-L240 HydrophobicContact CG1-CG 3.73Å; I207-L240 HydrophobicContact CG2-CD2 3.84Å; A219-L240 HydrophobicContact CB-CD1 3.46Å; A219-L240 VanDerWaalsContact CB-CD1 3.46Å; A219-L240 HydrophobicContact CB-CG 3.87Å; A219-L240 WeakPolarHBondContact CB-O 3.34Å; Y221-L240 HydrophobicContact CD1-CD1 4.23Å; Y221-L240 HydrophobicContact CD2-CB 3.9Å; Y221-L240 HydrophobicContact CD2-CD1 3.57Å; Y221-L240 HydrophobicContact CD2-CD2 4.11Å; Y221-L240 HydrophobicContact CD2-CG 4.06Å; Y221-L240 HydrophobicContact CE1-CD1 4.33Å; Y221-L240 HydrophobicContact CE2-CB 3.66Å; Y221-L240 HydrophobicContact CE2-CD1 3.64Å; Y221-L240 HydrophobicContact CE2-CG 4.17Å; Y221-L240 HydrophobicContact CG-CD1 3.85Å; T236-L240 WeakPolarHBondContact O-CB 3.44Å; T236-L240 PolarHBondContact O-N 3.31Å; I237-L240 PolarHBondContact O-N 2.88Å; D238-L240 VanDerWaalsContact C-N 3.31Å; D238-L240 PolarHBondContact O-N 3.03Å; L240-K243 HydrophobicContact CD1-CD 4.24Å; L240-K243 WeakPolarHBondContact O-CB 3.31Å; L240-K243 PolarHBondContact O-N 3.5Å; L240-G244 PolarHBondContact O-N 3.09Å |
| 241 | L | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 170.6 | -77 | 172.2 | 0 | 0 | 0 | 111.3 | I207 F209 I237 D238 K243 G244 G245 Y246 I250 F254 V258 | I207-L241 HydrophobicContact CD1-CD2 3.72Å; I207-L241 HydrophobicContact CD1-CG 3.87Å; F209-L241 HydrophobicContact CB-CD2 4.28Å; F209-L241 HydrophobicContact CD1-CD2 3.51Å; F209-L241 HydrophobicContact CD2-CD2 3.95Å; F209-L241 HydrophobicContact CE1-CD2 3.69Å; F209-L241 HydrophobicContact CE2-CD2 4.12Å; F209-L241 HydrophobicContact CG-CD2 3.64Å; F209-L241 HydrophobicContact CZ-CD2 3.98Å; I237-L241 HydrophobicContact CG2-CD1 4.14Å; I237-L241 HydrophobicContact CG2-CG 4.45Å; I237-L241 WeakPolarHBondContact O-CB 3.43Å; I237-L241 WeakPolarHBondContact O-CG 3.4Å; I237-L241 PolarHBondContact O-N 3.25Å; D238-L241 PolarHBondContact O-N 2.85Å; L241-K243 PolarHBondContact O-N 3.13Å; L241-G244 CarbonylContact O-C 3.55Å; L241-G244 PolarHBondContact O-N 2.9Å; L241-G245 PolarHBondContact O-N 3.47Å; L241-Y246 VanDerWaalsContact O-CB 3.27Å; L241-Y246 WeakPolarHBondContact O-CB 3.49Å; L241-Y246 PolarHBondContact O-N 3.39Å; L241-I250 HydrophobicContact CB-CD1 4.32Å; L241-I250 HydrophobicContact CD1-CD1 4.26Å; L241-I250 HydrophobicContact CD1-CG1 4.38Å; L241-I250 HydrophobicContact CD1-CG2 3.86Å; L241-F254 HydrophobicContact CD1-CD1 4.01Å; L241-F254 HydrophobicContact CD1-CE1 3.88Å; L241-F254 HydrophobicContact CD2-CE1 3.77Å; L241-F254 HydrophobicContact CG-CE1 4.46Å; L241-V258 HydrophobicContact CD1-CG2 4.48Å; L241-V258 HydrophobicContact CD2-CG2 4.07Å |
| 242 | R | 95.7 | Very high | 93.9 | Very high | 121 Ų | 121 | 56.6 Ų | 56.6 | 46% | 0.457 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 174.8 | -65.3 | -56.2 | -175.1 | -165.9 | -2.1 | 111.5 | D238 S239 G244 G245 Y246 K247 G248 | D238-R242 WeakPolarHBondContact O-CG 3.47Å; D238-R242 PolarHBondContact O-N 2.88Å; S239-R242 WeakPolarHBondContact O-CB 3.06Å; S239-R242 PolarHBondContact O-N 3.43Å; R242-G244 VanDerWaalsContact C-N 3.29Å; R242-G244 PolarHBondContact O-N 2.86Å; R242-G245 WeakPolarHBondContact O-CA 3.41Å; R242-G245 PolarHBondContact O-N 2.88Å; R242-Y246 VanDerWaalsContact CD-O 3.27Å; R242-Y246 WeakPolarHBondContact CD-O 3.15Å; R242-Y246 PolarHBondContact NH1-O 3.24Å; R242-K247 PolarHBondContact NH1-O 3.25Å; R242-G248 PolarHBondContact NH1-O 3Å; R242-G248 PolarHBondContact NH2-O 2.83Å; R242-G248 VanDerWaalsContact NH2-O 3.07Å |
| 243 | K | 94.5 | Very high | 94.1 | Very high | 120 Ų | 120 | 59.4 Ų | 59.4 | 52% | 0.522 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.5 | -36 | 174.8 | 177.8 | 170.1 | 179 | -89 | 0 | 112.6 | T220 Y221 S239 L240 L241 G245 | T220-K243 PolarHBondContact O-NZ 3.32Å; Y221-K243 HydrophobicContact CD1-CD 4.3Å; Y221-K243 HydrophobicContact CE1-CD 3.45Å; Y221-K243 VanDerWaalsContact CE1-CD 3.45Å; S239-K243 WeakPolarHBondContact O-CB 3.35Å; S239-K243 PolarHBondContact O-N 3.09Å; L240-K243 HydrophobicContact CD1-CD 4.24Å; L240-K243 WeakPolarHBondContact O-CB 3.31Å; L240-K243 PolarHBondContact O-N 3.5Å; L241-K243 PolarHBondContact O-N 3.13Å; K243-G245 PolarHBondContact O-N 3.44Å |
| 244 | G | 93.5 | Very high | 94.2 | Very high | 13 Ų | 13 | 59.2 Ų | 59.2 | 13% | 0.134 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -0.1 | 173 | 0 | 0 | 0 | 0 | 0 | 114.7 | L240 L241 R242 | L240-G244 PolarHBondContact O-N 3.09Å; L241-G244 CarbonylContact O-C 3.55Å; L241-G244 PolarHBondContact O-N 2.9Å; R242-G244 VanDerWaalsContact C-N 3.29Å; R242-G244 PolarHBondContact O-N 2.86Å |
| 245 | G | 92.6 | Very high | 94.3 | Very high | 47 Ų | 47 | 57.5 Ų | 57.5 | 49% | 0.485 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | 13.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L241 R242 K243 K247 | L241-G245 PolarHBondContact O-N 3.47Å; R242-G245 WeakPolarHBondContact O-CA 3.41Å; R242-G245 PolarHBondContact O-N 2.88Å; K243-G245 PolarHBondContact O-N 3.44Å; G245-K247 PolarHBondContact O-N 3.03Å |
| 246 | Y | 93.9 | Very high | 94.3 | Very high | 26 Ų | 26 | 57.1 Ų | 57.1 | 10% | 0.102 | 30% | 0.301 | C | S | . | . | trans | -70 | 116.8 | 173.8 | -173.6 | -109 | 0 | 0 | 0 | 110.8 | F209 L241 R242 G248 H249 I250 F254 | F209-Y246 HydrophobicContact CE2-CD2 4.36Å; F209-Y246 HydrophobicContact CE2-CG 4.44Å; L241-Y246 VanDerWaalsContact O-CB 3.27Å; L241-Y246 WeakPolarHBondContact O-CB 3.49Å; L241-Y246 PolarHBondContact O-N 3.39Å; R242-Y246 VanDerWaalsContact CD-O 3.27Å; R242-Y246 WeakPolarHBondContact CD-O 3.15Å; R242-Y246 PolarHBondContact NH1-O 3.24Å; Y246-G248 WeakPolarHBondContact CE1-O 3.37Å; Y246-H249 WeakPolarHBondContact CE1-O 3.42Å; Y246-H249 PolarHBondContact OH-O 3.47Å; Y246-I250 HydrophobicContact CD1-CD1 4.36Å; Y246-I250 HydrophobicContact CD1-CG1 3.73Å; Y246-I250 HydrophobicContact CE1-CG1 3.61Å; Y246-F254 HydrophobicContact CD1-CE1 4.12Å; Y246-F254 HydrophobicContact CD2-CE1 4.04Å; Y246-F254 HydrophobicContact CD2-CE2 4.37Å; Y246-F254 AromaticContact CD2-CZ 3.63Å; Y246-F254 HydrophobicContact CD2-CZ 3.63Å; Y246-F254 HydrophobicContact CE1-CD1 4.18Å; Y246-F254 AromaticContact CE1-CE1 3.94Å; Y246-F254 HydrophobicContact CE1-CE1 3.94Å; Y246-F254 HydrophobicContact CE1-CZ 4.27Å; Y246-F254 HydrophobicContact CE2-CD2 4.4Å; Y246-F254 AromaticContact CE2-CE1 3.86Å; Y246-F254 HydrophobicContact CE2-CE1 3.86Å; Y246-F254 AromaticContact CE2-CE2 3.65Å; Y246-F254 HydrophobicContact CE2-CE2 3.65Å; Y246-F254 AromaticContact CE2-CZ 3.34Å; Y246-F254 HydrophobicContact CE2-CZ 3.34Å; Y246-F254 HydrophobicContact CG-CE1 4.17Å; Y246-F254 HydrophobicContact CG-CZ 4.22Å; Y246-F254 AromaticContact CZ-CE1 3.79Å; Y246-F254 AromaticContact CZ-CE2 3.89Å; Y246-F254 AromaticContact CZ-CZ 3.68Å | ||
| 247 | K | 91 | Very high | 94.2 | Very high | 194 Ų | 194 | 60.1 Ų | 60.1 | 84% | 0.843 | 33% | 0.332 | S | S | * | . | trans | -102.6 | -10.4 | -177.9 | -64.9 | -176.2 | -179.2 | -177.5 | 0 | 113.9 | R242 G245 | R242-K247 PolarHBondContact NH1-O 3.25Å; G245-K247 PolarHBondContact O-N 3.03Å | ||
| 248 | G | 90.6 | Very high | 94.1 | Very high | 29 Ų | 29 | 60.6 Ų | 60.6 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -70.6 | 179.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | R242 Y246 | R242-G248 PolarHBondContact NH1-O 3Å; R242-G248 PolarHBondContact NH2-O 2.83Å; R242-G248 VanDerWaalsContact NH2-O 3.07Å; Y246-G248 WeakPolarHBondContact CE1-O 3.37Å |
| 249 | H | 93 | Very high | 94.1 | Very high | 151 Ų | 151 | 61.2 Ų | 61.2 | 70% | 0.699 | 34% | 0.342 | S | S | * | . | trans | -72.5 | 135.3 | 167.4 | -174.3 | -97.6 | 0 | 0 | 0 | 109.4 | Y246 T251 | Y246-H249 WeakPolarHBondContact CE1-O 3.42Å; Y246-H249 PolarHBondContact OH-O 3.47Å; H249-T251 VanDerWaalsContact ND1-CG2 3.34Å; H249-T251 WeakPolarHBondContact ND1-CG2 3.35Å | ||
| 250 | I | 94.5 | Very high | 94.2 | Very high | 17 Ų | 17 | 59.9 Ų | 59.9 | 9% | 0.087 | 33% | 0.332 | C | S | . | . | trans | -98 | 101.6 | -178.1 | -55.4 | 169.1 | 0 | 0 | 0 | 107.9 | D238 L241 Y246 R255 | D238-I250 HydrophobicContact CB-CD1 3.94Å; D238-I250 WeakPolarHBondContact OD1-CG2 3.44Å; L241-I250 HydrophobicContact CB-CD1 4.32Å; L241-I250 HydrophobicContact CD1-CD1 4.26Å; L241-I250 HydrophobicContact CD1-CG1 4.38Å; L241-I250 HydrophobicContact CD1-CG2 3.86Å; Y246-I250 HydrophobicContact CD1-CD1 4.36Å; Y246-I250 HydrophobicContact CD1-CG1 3.73Å; Y246-I250 HydrophobicContact CE1-CG1 3.61Å; I250-R255 HydrophobicContact CG2-CG 3.9Å | ||
| 251 | T | 94.7 | Very high | 94.2 | Very high | 44 Ų | 44 | 61.1 Ų | 61.1 | 27% | 0.27 | 34% | 0.339 | S | S | . | . | trans | -93.4 | 160.3 | 175.8 | 74.7 | 0 | 0 | 0 | 0 | 110.9 | H249 E253 F254 R255 | H249-T251 VanDerWaalsContact ND1-CG2 3.34Å; H249-T251 WeakPolarHBondContact ND1-CG2 3.35Å; T251-E253 WeakPolarHBondContact CB-OE2 3.49Å; T251-E253 PolarHBondContact O-N 2.78Å; T251-E253 PolarHBondContact OG1-N 2.82Å; T251-E253 PolarHBondContact OG1-OE2 3.13Å; T251-F254 WeakPolarHBondContact O-CB 3.34Å; T251-F254 PolarHBondContact O-N 2.87Å; T251-F254 VanDerWaalsContact O-N 3.13Å; T251-F254 PolarHBondContact OG1-N 2.83Å; T251-R255 PolarHBondContact O-N 3.25Å; T251-R255 VanDerWaalsContact O-N 3.09Å | ||
| 252 | P | 94.1 | Very high | 94.1 | Very high | 69 Ų | 69 | 63.4 Ų | 63.4 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -53.5 | -39.7 | 171.9 | -25.7 | 36 | 0 | 0 | 0 | 113.1 | F254 R255 S256 | P252-F254 VanDerWaalsContact C-N 3.31Å; P252-F254 PolarHBondContact O-N 2.79Å; P252-R255 WeakPolarHBondContact O-CB 3.36Å; P252-R255 PolarHBondContact O-N 2.98Å; P252-R255 VanDerWaalsContact O-N 3.16Å; P252-S256 PolarHBondContact O-N 3.3Å; P252-S256 PolarHBondContact O-OG 3.43Å |
| 253 | E | 93.5 | Very high | 94.1 | Very high | 135 Ų | 135 | 57.6 Ų | 57.6 | 63% | 0.631 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.3 | -37.9 | 178.9 | -56.7 | 70.1 | -148.8 | 0 | 0 | 111.2 | T251 S256 G257 | T251-E253 WeakPolarHBondContact CB-OE2 3.49Å; T251-E253 PolarHBondContact O-N 2.78Å; T251-E253 PolarHBondContact OG1-N 2.82Å; T251-E253 PolarHBondContact OG1-OE2 3.13Å; E253-S256 PolarHBondContact O-N 2.97Å; E253-G257 PolarHBondContact O-N 3.02Å |
| 254 | F | 94.2 | Very high | 93.9 | Very high | 49 Ų | 49 | 55.5 Ų | 55.5 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 174.8 | -171.6 | -95.2 | 0 | 0 | 0 | 111.5 | F209 L241 Y246 T251 P252 S256 G257 | F209-F254 HydrophobicContact CD2-CZ 4.17Å; L241-F254 HydrophobicContact CD1-CD1 4.01Å; L241-F254 HydrophobicContact CD1-CE1 3.88Å; L241-F254 HydrophobicContact CD2-CE1 3.77Å; L241-F254 HydrophobicContact CG-CE1 4.46Å; Y246-F254 HydrophobicContact CD1-CE1 4.12Å; Y246-F254 HydrophobicContact CD2-CE1 4.04Å; Y246-F254 HydrophobicContact CD2-CE2 4.37Å; Y246-F254 AromaticContact CD2-CZ 3.63Å; Y246-F254 HydrophobicContact CD2-CZ 3.63Å; Y246-F254 HydrophobicContact CE1-CD1 4.18Å; Y246-F254 AromaticContact CE1-CE1 3.94Å; Y246-F254 HydrophobicContact CE1-CE1 3.94Å; Y246-F254 HydrophobicContact CE1-CZ 4.27Å; Y246-F254 HydrophobicContact CE2-CD2 4.4Å; Y246-F254 AromaticContact CE2-CE1 3.86Å; Y246-F254 HydrophobicContact CE2-CE1 3.86Å; Y246-F254 AromaticContact CE2-CE2 3.65Å; Y246-F254 HydrophobicContact CE2-CE2 3.65Å; Y246-F254 AromaticContact CE2-CZ 3.34Å; Y246-F254 HydrophobicContact CE2-CZ 3.34Å; Y246-F254 HydrophobicContact CG-CE1 4.17Å; Y246-F254 HydrophobicContact CG-CZ 4.22Å; Y246-F254 AromaticContact CZ-CE1 3.79Å; Y246-F254 AromaticContact CZ-CE2 3.89Å; Y246-F254 AromaticContact CZ-CZ 3.68Å; T251-F254 WeakPolarHBondContact O-CB 3.34Å; T251-F254 PolarHBondContact O-N 2.87Å; T251-F254 VanDerWaalsContact O-N 3.13Å; T251-F254 PolarHBondContact OG1-N 2.83Å; P252-F254 VanDerWaalsContact C-N 3.31Å; P252-F254 PolarHBondContact O-N 2.79Å; F254-S256 VanDerWaalsContact C-N 3.33Å; F254-S256 PolarHBondContact O-N 2.88Å; F254-G257 PolarHBondContact O-N 3.39Å; F254-G257 VanDerWaalsContact O-N 3.11Å |
| 255 | R | 94.9 | Very high | 93.8 | Very high | 29 Ų | 29 | 56.5 Ų | 56.5 | 11% | 0.109 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 175.1 | -63.7 | -176.3 | -170.1 | 101.2 | 1.4 | 111.6 | Y179 I237 D238 I250 T251 P252 G257 V258 | Y179-R255 HydrophobicContact CD1-CB 3.97Å; Y179-R255 WeakPolarHBondContact CD1-O 3.4Å; Y179-R255 HydrophobicContact CD2-CB 4.07Å; Y179-R255 HydrophobicContact CE1-CB 3.82Å; Y179-R255 HydrophobicContact CE2-CB 3.87Å; Y179-R255 HydrophobicContact CE2-CG 4.45Å; Y179-R255 HydrophobicContact CG-CB 4.1Å; I237-R255 HydrophobicContact CG2-CG 4.44Å; D238-R255 IonicContact OD1-CZ 3.36Å; D238-R255 IonicContact OD1-NE 2.74Å; D238-R255 PolarHBondContact OD1-NE 3.28Å; D238-R255 IonicContact OD1-NH2 3.34Å; D238-R255 PolarHBondContact OD1-NH2 2.85Å; D238-R255 VanDerWaalsContact OD1-NH2 3.14Å; D238-R255 IonicContact OD2-CZ 3.73Å; D238-R255 IonicContact OD2-NE 3.84Å; D238-R255 IonicContact OD2-NH2 2.67Å; D238-R255 PolarHBondContact OD2-NH2 3.42Å; I250-R255 HydrophobicContact CG2-CG 3.9Å; T251-R255 PolarHBondContact O-N 3.25Å; T251-R255 VanDerWaalsContact O-N 3.09Å; P252-R255 WeakPolarHBondContact O-CB 3.36Å; P252-R255 PolarHBondContact O-N 2.98Å; P252-R255 VanDerWaalsContact O-N 3.16Å; R255-G257 PolarHBondContact O-N 2.81Å; R255-V258 VanDerWaalsContact O-CB 3.31Å; R255-V258 WeakPolarHBondContact O-CB 3.27Å; R255-V258 PolarHBondContact O-N 2.69Å |
| 256 | S | 93.8 | Very high | 93.8 | Very high | 86 Ų | 86 | 56.1 Ų | 56.1 | 60% | 0.601 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.6 | -22.2 | 175.9 | -65.3 | 0 | 0 | 0 | 0 | 113.8 | P252 E253 F254 | P252-S256 PolarHBondContact O-N 3.3Å; P252-S256 PolarHBondContact O-OG 3.43Å; E253-S256 PolarHBondContact O-N 2.97Å; F254-S256 VanDerWaalsContact C-N 3.33Å; F254-S256 PolarHBondContact O-N 2.88Å |
| 257 | G | 92.9 | Very high | 93.7 | Very high | 63 Ų | 63 | 58.1 Ų | 58.1 | 65% | 0.649 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -3.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | E253 F254 R255 | E253-G257 PolarHBondContact O-N 3.02Å; F254-G257 PolarHBondContact O-N 3.39Å; F254-G257 VanDerWaalsContact O-N 3.11Å; R255-G257 PolarHBondContact O-N 2.81Å |
| 258 | V | 94.8 | Very high | 93.9 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | trans | -78.7 | 127.3 | 178.4 | 176 | 0 | 0 | 0 | 0 | 109.7 | I207 F209 L241 R255 L260 | I207-V258 HydrophobicContact CB-CG1 3.54Å; I207-V258 HydrophobicContact CD1-CG1 4.45Å; I207-V258 HydrophobicContact CG2-CG1 3.68Å; F209-V258 HydrophobicContact CB-CG2 4.34Å; L241-V258 HydrophobicContact CD1-CG2 4.48Å; L241-V258 HydrophobicContact CD2-CG2 4.07Å; R255-V258 VanDerWaalsContact O-CB 3.31Å; R255-V258 WeakPolarHBondContact O-CB 3.27Å; R255-V258 PolarHBondContact O-N 2.69Å; V258-L260 PolarHBondContact O-N 2.82Å | ||
| 259 | C | 96.3 | Very high | 94.1 | Very high | 53 Ų | 53 | 51 Ų | 51 | 36% | 0.358 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 115.5 | 168.6 | 179 | 0 | 0 | 0 | 0 | 108.6 | I207 E208 | I207-C259 CarbonylContact C-O 3.56Å; I207-C259 WeakPolarHBondContact CA-O 3.47Å; E208-C259 HydrophobicContact CB-CB 4.3Å; E208-C259 PolarHBondContact N-O 2.75Å; E208-C259 PolarHBondContact O-N 3.17Å |
| 260 | L | 97.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 133.9 | 177.9 | -171.8 | 148.5 | 0 | 0 | 0 | 110.3 | A176 Y179 W182 I205 I207 I237 V258 R262 | A176-L260 HydrophobicContact CB-CB 4.16Å; A176-L260 HydrophobicContact CB-CD2 3.4Å; A176-L260 HydrophobicContact CB-CG 4.35Å; A176-L260 PolarHBondContact N-O 2.89Å; Y179-L260 WeakPolarHBondContact O-CD1 3.3Å; W182-L260 HydrophobicContact CB-CD2 4.43Å; W182-L260 HydrophobicContact CG-CD1 4.35Å; W182-L260 HydrophobicContact CG-CD2 4.45Å; I205-L260 HydrophobicContact CB-CD1 4.36Å; I205-L260 HydrophobicContact CB-CG 4.46Å; I205-L260 HydrophobicContact CD1-CD1 4.49Å; I205-L260 HydrophobicContact CG2-CD1 4.23Å; I205-L260 HydrophobicContact CG2-CD2 4.13Å; I205-L260 HydrophobicContact CG2-CG 4.46Å; I207-L260 HydrophobicContact CG2-CD1 4.32Å; I207-L260 HydrophobicContact CG2-CG 4.38Å; I237-L260 HydrophobicContact CD1-CD1 3.67Å; V258-L260 PolarHBondContact O-N 2.82Å; L260-R262 HydrophobicContact CD2-CB 4.13Å |
| 261 | I | 96.4 | Very high | 94.5 | Very high | 25 Ų | 25 | 44 Ų | 44 | 13% | 0.128 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 116.3 | 172 | -56.2 | 168.2 | 0 | 0 | 0 | 106.8 | F173 E174 V175 R206 | F173-I261 HydrophobicContact CB-CG2 4.19Å; F173-I261 HydrophobicContact CD1-CG2 3.94Å; E174-I261 CarbonylContact O-C 3.54Å; E174-I261 VanDerWaalsContact O-CA 3.27Å; E174-I261 WeakPolarHBondContact O-CA 2.95Å; E174-I261 WeakPolarHBondContact O-CG2 3.22Å; V175-I261 HydrophobicContact CG2-CG1 4.46Å; R206-I261 HydrophobicContact CB-CB 4.39Å; R206-I261 PolarHBondContact N-O 3.2Å; R206-I261 PolarHBondContact O-N 2.86Å |
| 262 | R | 95.1 | Very high | 94.6 | Very high | 48 Ų | 48 | 43.1 Ų | 43.1 | 18% | 0.181 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 149.4 | 173.6 | 67 | -178.1 | -178.2 | -151.1 | -1.6 | 110.3 | F173 E174 D181 W182 H203 G204 L260 | F173-R262 CarbonylContact C-O 3.47Å; F173-R262 WeakPolarHBondContact CA-O 3.36Å; E174-R262 HydrophobicContact CB-CG 3.96Å; E174-R262 PolarHBondContact N-O 3.07Å; E174-R262 PolarHBondContact O-N 2.85Å; E174-R262 IonicContact OE2-CZ 3.22Å; E174-R262 IonicContact OE2-NE 2.73Å; E174-R262 PolarHBondContact OE2-NE 2.87Å; E174-R262 IonicContact OE2-NH2 3.88Å; E174-R262 PolarHBondContact OE2-NH2 3.27Å; D181-R262 WeakPolarHBondContact O-CD 3.47Å; D181-R262 PolarHBondContact O-NH1 2.85Å; D181-R262 IonicContact OD1-CZ 3.03Å; D181-R262 IonicContact OD1-NH1 3.4Å; D181-R262 PolarHBondContact OD1-NH1 3.27Å; D181-R262 IonicContact OD2-CZ 2.77Å; D181-R262 IonicContact OD2-NH1 3.14Å; D181-R262 PolarHBondContact OD2-NH1 2.75Å; W182-R262 HydrophobicContact CB-CB 4.32Å; H203-R262 HydrophobicContact CB-CB 4.17Å; G204-R262 CarbonylContact O-C 3.55Å; G204-R262 WeakPolarHBondContact O-CA 3.44Å; L260-R262 HydrophobicContact CD2-CB 4.13Å |
| 263 | F | 93.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 159.1 | 176.6 | 60.9 | -90 | 0 | 0 | 0 | 110.9 | F129 L170 F173 H203 G204 R206 T220 Y221 L222 | F129-F263 HydrophobicContact CE1-CE1 4.15Å; F129-F263 HydrophobicContact CE1-CZ 4.11Å; L170-F263 HydrophobicContact CB-CD2 4.15Å; L170-F263 HydrophobicContact CD1-CD2 4.3Å; L170-F263 HydrophobicContact CD1-CE2 3.93Å; L170-F263 HydrophobicContact CD1-CZ 4.36Å; L170-F263 HydrophobicContact CD2-CD2 4.13Å; L170-F263 HydrophobicContact CD2-CE2 3.77Å; L170-F263 HydrophobicContact CG-CD2 4.43Å; L170-F263 HydrophobicContact CG-CE2 4.29Å; F173-F263 HydrophobicContact CD1-CB 3.58Å; F173-F263 HydrophobicContact CD1-CD1 4.07Å; F173-F263 HydrophobicContact CD1-CG 4.06Å; F173-F263 HydrophobicContact CD2-CB 4.25Å; F173-F263 HydrophobicContact CE1-CB 3.64Å; F173-F263 AromaticContact CE1-CD1 3.66Å; F173-F263 HydrophobicContact CE1-CD1 3.66Å; F173-F263 HydrophobicContact CE1-CD2 4.44Å; F173-F263 HydrophobicContact CE1-CE1 4.45Å; F173-F263 AromaticContact CE1-CG 3.65Å; F173-F263 HydrophobicContact CE1-CG 3.65Å; F173-F263 HydrophobicContact CE2-CB 4.29Å; F173-F263 HydrophobicContact CG-CB 3.9Å; F173-F263 HydrophobicContact CZ-CB 4.01Å; F173-F263 HydrophobicContact CZ-CD1 4.43Å; F173-F263 HydrophobicContact CZ-CD2 4.46Å; F173-F263 HydrophobicContact CZ-CG 4.05Å; H203-F263 CarbonylContact C-O 3.43Å; H203-F263 WeakPolarHBondContact CA-O 3.22Å; G204-F263 PolarHBondContact N-O 2.83Å; G204-F263 WeakPolarHBondContact O-CD1 3.35Å; G204-F263 PolarHBondContact O-N 2.9Å; R206-F263 HydrophobicContact CB-CE1 4.4Å; T220-F263 HydrophobicContact CG2-CE1 3.55Å; T220-F263 HydrophobicContact CG2-CZ 3.56Å; Y221-F263 WeakPolarHBondContact O-CZ 3.37Å; L222-F263 HydrophobicContact CD2-CE2 4.24Å; L222-F263 HydrophobicContact CD2-CZ 4.33Å |
| 264 | Q | 92.1 | Very high | 94.7 | Very high | 75 Ų | 75 | 39.3 Ų | 39.3 | 35% | 0.35 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 160.8 | 173 | -66 | 177.3 | -13.7 | 0 | 0 | 110 | L170 M171 N172 | L170-Q264 WeakPolarHBondContact CA-O 3.38Å; M171-Q264 HydrophobicContact CG-CB 4.3Å; M171-Q264 PolarHBondContact N-O 2.94Å; M171-Q264 PolarHBondContact O-N 3.37Å; M171-Q264 VanDerWaalsContact O-O 3.09Å; N172-Q264 HydrophobicContact CB-CB 4.44Å; N172-Q264 HydrophobicContact CB-CG 4.46Å; N172-Q264 PolarHBondContact ND2-OE1 3.43Å |
| 265 | S | 90.5 | Very high | 94.8 | Very high | 35 Ų | 35 | 37 Ų | 37 | 25% | 0.245 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 139.3 | 172.8 | 69.8 | 0 | 0 | 0 | 0 | 112.5 | L169 P223 | L169-S265 CarbonylContact O-C 3.5Å; L169-S265 WeakPolarHBondContact O-CA 3.44Å; P223-S265 WeakPolarHBondContact CG-OG 3.26Å |
| 266 | E | 91.9 | Very high | 94.8 | Very high | 39 Ų | 39 | 36 Ų | 36 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 124.9 | 164 | -71.4 | -171.5 | 176 | 0 | 0 | 110 | R74 V75 V76 S168 L169 M171 | R74-E266 WeakPolarHBondContact CG-OE2 3.46Å; V75-E266 PolarHBondContact N-OE2 3.41Å; V76-E266 HydrophobicContact CB-CB 4.08Å; V76-E266 HydrophobicContact CG1-CB 3.6Å; V76-E266 PolarHBondContact N-OE2 3.43Å; S168-E266 CarbonylContact C-O 3.58Å; S168-E266 WeakPolarHBondContact CA-O 3.38Å; L169-E266 PolarHBondContact N-O 3.18Å; L169-E266 PolarHBondContact O-N 3.49Å; M171-E266 HydrophobicContact CE-CB 3.8Å; M171-E266 HydrophobicContact CE-CG 3.53Å; M171-E266 HydrophobicContact SD-CG 3.91Å |
| 267 | K | 92.1 | Very high | 94.7 | Very high | 67 Ų | 67 | 34.9 Ų | 34.9 | 29% | 0.291 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 136.6 | -178.9 | -171.1 | 172.6 | -176.4 | 175.3 | 0 | 111.3 | R74 V167 S168 E224 | R74-K267 PolarHBondContact NH1-O 2.94Å; V167-K267 WeakPolarHBondContact O-CA 3.26Å; S168-K267 WeakPolarHBondContact OG-CG 3.29Å; E224-K267 IonicContact OE1-NZ 3.26Å; E224-K267 PolarHBondContact OE1-NZ 3.11Å |
| 268 | M | 95 | Very high | 94.6 | Very high | 27 Ų | 27 | 34.3 Ų | 34.3 | 13% | 0.133 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 132.5 | 168.5 | -172.2 | 65.3 | 68.3 | 0 | 0 | 109.1 | V76 K78 V81 S166 V167 | V76-M268 HydrophobicContact CB-CB 4.44Å; V76-M268 HydrophobicContact CG1-CB 4.02Å; V76-M268 HydrophobicContact CG1-CE 4.47Å; V76-M268 HydrophobicContact CG2-CB 3.6Å; V76-M268 WeakPolarHBondContact O-CE 3.33Å; K78-M268 HydrophobicContact CG-CE 4.29Å; K78-M268 HydrophobicContact CG-CG 4.17Å; K78-M268 HydrophobicContact CG-SD 3.78Å; V81-M268 HydrophobicContact CG2-CB 3.76Å; V81-M268 HydrophobicContact CG2-CG 3.64Å; V81-M268 WeakPolarHBondContact CG2-O 3.49Å; S166-M268 CarbonylContact C-O 3.53Å; S166-M268 WeakPolarHBondContact CA-O 2.92Å; V167-M268 PolarHBondContact N-O 3.06Å; V167-M268 PolarHBondContact O-N 3.01Å |
| 269 | T | 96 | Very high | 94 | Very high | 48 Ų | 48 | 36.6 Ų | 36.6 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 135.5 | 179.2 | -55.9 | 0 | 0 | 0 | 0 | 109.7 | C165 S166 | C165-T269 CarbonylContact O-C 3.59Å; C165-T269 VanDerWaalsContact O-CA 3.29Å; C165-T269 WeakPolarHBondContact O-CA 3.27Å; S166-T269 WeakPolarHBondContact CB-OG1 3.3Å; S166-T269 WeakPolarHBondContact OG-CB 3.09Å; S166-T269 VanDerWaalsContact OG-CG2 3.26Å; S166-T269 WeakPolarHBondContact OG-CG2 3.4Å; S166-T269 PolarHBondContact OG-OG1 2.9Å |
| 270 | V | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 134.4 | 176.8 | 176.8 | 0 | 0 | 0 | 0 | 108.2 | K78 V81 L82 F85 H164 C165 E274 | K78-V270 HydrophobicContact CB-CG2 4.45Å; K78-V270 HydrophobicContact CG-CG2 4.33Å; V81-V270 HydrophobicContact CB-CB 4.13Å; V81-V270 HydrophobicContact CB-CG2 3.8Å; V81-V270 HydrophobicContact CG1-CB 3.61Å; V81-V270 HydrophobicContact CG1-CG2 3.83Å; V81-V270 HydrophobicContact CG2-CG2 4.22Å; L82-V270 HydrophobicContact CD2-CG1 4.12Å; F85-V270 HydrophobicContact CE2-CB 4.42Å; F85-V270 HydrophobicContact CE2-CG1 4.38Å; F85-V270 WeakPolarHBondContact CE2-O 3.29Å; H164-V270 WeakPolarHBondContact CA-O 3.34Å; C165-V270 PolarHBondContact N-O 3.47Å; C165-V270 PolarHBondContact O-N 3.11Å; V270-E274 HydrophobicContact CG1-CB 3.87Å; V270-E274 HydrophobicContact CG1-CG 3.91Å |
| 271 | S | 97.6 | Very high | 92.2 | Very high | 20 Ų | 20 | 44 Ų | 44 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 159.7 | 171.8 | 64.8 | 0 | 0 | 0 | 0 | 111.1 | H164 S273 E274 Y275 | H164-S271 VanDerWaalsContact CE1-CB 3.44Å; H164-S271 WeakPolarHBondContact CE1-CB 3.07Å; H164-S271 WeakPolarHBondContact ND1-CB 3.24Å; S271-S273 PolarHBondContact O-N 2.96Å; S271-S273 PolarHBondContact OG-OG 3.28Å; S271-E274 PolarHBondContact O-N 3.48Å; S271-E274 VanDerWaalsContact O-N 3.15Å; S271-E274 WeakPolarHBondContact OG-CB 3.42Å; S271-E274 PolarHBondContact OG-N 2.95Å; S271-E274 VanDerWaalsContact OG-N 3.16Å; S271-Y275 PolarHBondContact O-N 2.88Å |
| 272 | Y | 97.3 | Very high | 90.9 | Very high | 26 Ų | 26 | 50.2 Ų | 50.2 | 10% | 0.102 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -54.3 | -41.6 | 171.3 | 176.5 | -98.3 | 0 | 0 | 0 | 112.4 | F85 F160 N161 L163 E274 Y275 V276 W295 | F85-Y272 HydrophobicContact CE1-CD2 4.23Å; F160-Y272 HydrophobicContact CD1-CD2 4.23Å; F160-Y272 AromaticContact CD1-CE2 3.73Å; F160-Y272 HydrophobicContact CD1-CE2 3.73Å; F160-Y272 HydrophobicContact CE1-CD2 4.01Å; F160-Y272 AromaticContact CE1-CE2 3.44Å; F160-Y272 HydrophobicContact CE1-CE2 3.44Å; F160-Y272 VanDerWaalsContact CE1-CE2 3.44Å; F160-Y272 HydrophobicContact CZ-CD2 4.46Å; F160-Y272 HydrophobicContact CZ-CE2 4.24Å; N161-Y272 VanDerWaalsContact CA-CD1 3.47Å; N161-Y272 HydrophobicContact CB-CD1 3.87Å; N161-Y272 HydrophobicContact CB-CE1 3.63Å; N161-Y272 HydrophobicContact CB-CG 4.44Å; N161-Y272 WeakPolarHBondContact O-CD1 3.48Å; L163-Y272 WeakPolarHBondContact O-CB 3.38Å; L163-Y272 PolarHBondContact O-N 3.38Å; Y272-E274 VanDerWaalsContact C-N 3.35Å; Y272-E274 PolarHBondContact O-N 3.48Å; Y272-Y275 HydrophobicContact CD2-CD1 4.06Å; Y272-Y275 HydrophobicContact CE2-CD1 4.12Å; Y272-Y275 HydrophobicContact CE2-CE1 4.39Å; Y272-Y275 WeakPolarHBondContact O-CB 3.27Å; Y272-Y275 PolarHBondContact O-N 2.99Å; Y272-V276 HydrophobicContact CD1-CG2 4.13Å; Y272-V276 HydrophobicContact CD2-CG2 4.39Å; Y272-V276 HydrophobicContact CE1-CG2 3.56Å; Y272-V276 HydrophobicContact CE2-CG2 3.82Å; Y272-V276 WeakPolarHBondContact O-CG2 3.5Å; Y272-V276 PolarHBondContact O-N 2.7Å; Y272-W295 AromaticContact CD1-CH2 3.99Å; Y272-W295 HydrophobicContact CD1-CH2 3.99Å; Y272-W295 HydrophobicContact CD1-CZ2 4.13Å; Y272-W295 AromaticContact CE1-CH2 3.68Å; Y272-W295 HydrophobicContact CE1-CH2 3.68Å; Y272-W295 AromaticContact CE1-CZ2 3.67Å; Y272-W295 HydrophobicContact CE1-CZ2 3.67Å |
| 273 | S | 95.2 | Very high | 89.1 | Confident | 65 Ų | 65 | 51.2 Ų | 51.2 | 46% | 0.455 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 177.4 | 53.1 | 0 | 0 | 0 | 0 | 112.4 | S271 V276 S277 | S271-S273 PolarHBondContact O-N 2.96Å; S271-S273 PolarHBondContact OG-OG 3.28Å; S273-V276 PolarHBondContact O-N 3.38Å; S273-S277 PolarHBondContact O-N 3.42Å; S273-S277 VanDerWaalsContact O-N 3.11Å; S273-S277 PolarHBondContact O-OG 3.04Å; S273-S277 VanDerWaalsContact O-OG 3.14Å |
| 274 | E | 95.1 | Very high | 87.2 | Confident | 58 Ų | 58 | 52.4 Ų | 52.4 | 27% | 0.271 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.9 | -38.4 | 176.8 | -177.9 | 178.4 | -175.6 | 0 | 0 | 111.6 | K78 V270 S271 Y272 V276 S277 L278 | K78-E274 WeakPolarHBondContact CE-OE1 3.38Å; K78-E274 IonicContact NZ-OE1 2.97Å; K78-E274 PolarHBondContact NZ-OE1 3.18Å; V270-E274 HydrophobicContact CG1-CB 3.87Å; V270-E274 HydrophobicContact CG1-CG 3.91Å; S271-E274 PolarHBondContact O-N 3.48Å; S271-E274 VanDerWaalsContact O-N 3.15Å; S271-E274 WeakPolarHBondContact OG-CB 3.42Å; S271-E274 PolarHBondContact OG-N 2.95Å; S271-E274 VanDerWaalsContact OG-N 3.16Å; Y272-E274 VanDerWaalsContact C-N 3.35Å; Y272-E274 PolarHBondContact O-N 3.48Å; E274-V276 PolarHBondContact O-N 3.03Å; E274-S277 PolarHBondContact O-N 3.32Å; E274-L278 HydrophobicContact CG-CD1 3.72Å; E274-L278 HydrophobicContact CG-CG 4.19Å; E274-L278 WeakPolarHBondContact O-CB 3.45Å; E274-L278 VanDerWaalsContact O-CG 3.29Å; E274-L278 WeakPolarHBondContact O-CG 3.16Å; E274-L278 PolarHBondContact O-N 3.47Å |
| 275 | Y | 95.9 | Very high | 85 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.9 | -49.7 | 173.4 | 162.3 | -104.4 | 0 | 0 | 0 | 111.8 | L82 F85 D86 S271 Y272 L278 R279 F287 | L82-Y275 HydrophobicContact CB-CD2 4.32Å; L82-Y275 HydrophobicContact CD2-CD2 3.58Å; L82-Y275 HydrophobicContact CD2-CG 4.3Å; F85-Y275 HydrophobicContact CB-CD1 4.12Å; F85-Y275 HydrophobicContact CB-CD2 3.39Å; F85-Y275 HydrophobicContact CB-CE1 4.1Å; F85-Y275 HydrophobicContact CB-CE2 3.4Å; F85-Y275 HydrophobicContact CB-CG 3.79Å; F85-Y275 HydrophobicContact CD1-CD1 4.18Å; F85-Y275 HydrophobicContact CD1-CG 4.22Å; F85-Y275 HydrophobicContact CD2-CD2 4.04Å; F85-Y275 AromaticContact CD2-CG 3.98Å; F85-Y275 HydrophobicContact CD2-CG 3.98Å; F85-Y275 HydrophobicContact CG-CD1 4.13Å; F85-Y275 AromaticContact CG-CD2 3.83Å; F85-Y275 HydrophobicContact CG-CD2 3.83Å; F85-Y275 HydrophobicContact CG-CE2 4.29Å; F85-Y275 AromaticContact CG-CG 3.76Å; F85-Y275 HydrophobicContact CG-CG 3.76Å; D86-Y275 VanDerWaalsContact OD1-CE2 3.3Å; D86-Y275 WeakPolarHBondContact OD1-CE2 3.22Å; D86-Y275 PolarHBondContact OD1-OH 3.21Å; S271-Y275 PolarHBondContact O-N 2.88Å; Y272-Y275 HydrophobicContact CD2-CD1 4.06Å; Y272-Y275 HydrophobicContact CE2-CD1 4.12Å; Y272-Y275 HydrophobicContact CE2-CE1 4.39Å; Y272-Y275 WeakPolarHBondContact O-CB 3.27Å; Y272-Y275 PolarHBondContact O-N 2.99Å; Y275-L278 PolarHBondContact O-N 2.08Å; Y275-R279 HydrophobicContact CD2-CG 4.08Å; Y275-R279 HydrophobicContact CE2-CG 3.65Å; Y275-R279 WeakPolarHBondContact O-CG 3.33Å; Y275-R279 PolarHBondContact O-N 3.42Å; Y275-F287 HydrophobicContact CE1-CE2 4.14Å; Y275-F287 AromaticContact CE1-CZ 3.78Å; Y275-F287 HydrophobicContact CE1-CZ 3.78Å |
| 276 | V | 93.9 | Very high | 82.7 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 177.9 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | Y272 S273 E274 L278 R279 Q280 F287 W295 | Y272-V276 HydrophobicContact CD1-CG2 4.13Å; Y272-V276 HydrophobicContact CD2-CG2 4.39Å; Y272-V276 HydrophobicContact CE1-CG2 3.56Å; Y272-V276 HydrophobicContact CE2-CG2 3.82Å; Y272-V276 WeakPolarHBondContact O-CG2 3.5Å; Y272-V276 PolarHBondContact O-N 2.7Å; S273-V276 PolarHBondContact O-N 3.38Å; E274-V276 PolarHBondContact O-N 3.03Å; V276-L278 PolarHBondContact O-N 2.94Å; V276-R279 PolarHBondContact O-N 2.82Å; V276-Q280 WeakPolarHBondContact O-CG 3.21Å; V276-Q280 PolarHBondContact O-N 2.87Å; V276-F287 HydrophobicContact CG2-CE2 4.39Å; V276-W295 HydrophobicContact CB-CZ3 4.32Å; V276-W295 HydrophobicContact CG1-CZ3 4.07Å; V276-W295 HydrophobicContact CG2-CH2 4.44Å |
| 277 | S | 92.9 | Very high | 80.8 | Confident | 63 Ų | 63 | 59.4 Ų | 59.4 | 44% | 0.441 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 178.2 | -63 | 0 | 0 | 0 | 0 | 112.5 | S273 E274 Q280 C281 | S273-S277 PolarHBondContact O-N 3.42Å; S273-S277 VanDerWaalsContact O-N 3.11Å; S273-S277 PolarHBondContact O-OG 3.04Å; S273-S277 VanDerWaalsContact O-OG 3.14Å; E274-S277 PolarHBondContact O-N 3.32Å; S277-Q280 PolarHBondContact O-N 3.12Å; S277-C281 PolarHBondContact O-N 3.15Å; S277-C281 VanDerWaalsContact O-N 3.17Å; S277-C281 PolarHBondContact O-SG 2.77Å |
| 278 | L | 89.8 | Confident | 78.6 | Confident | 52 Ų | 52 | 59.3 Ų | 59.3 | 27% | 0.272 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.8 | -32.6 | 179.8 | -72.1 | 172.1 | 0 | 0 | 0 | 112.7 | K78 L82 E274 Y275 V276 R282 | K78-L278 HydrophobicContact CD-CD1 4.19Å; L82-L278 HydrophobicContact CD1-CB 4.06Å; L82-L278 HydrophobicContact CD1-CD1 4.22Å; L82-L278 HydrophobicContact CD2-CB 4.18Å; L82-L278 HydrophobicContact CD2-CD1 3.99Å; E274-L278 HydrophobicContact CG-CD1 3.72Å; E274-L278 HydrophobicContact CG-CG 4.19Å; E274-L278 WeakPolarHBondContact O-CB 3.45Å; E274-L278 VanDerWaalsContact O-CG 3.29Å; E274-L278 WeakPolarHBondContact O-CG 3.16Å; E274-L278 PolarHBondContact O-N 3.47Å; Y275-L278 PolarHBondContact O-N 2.08Å; V276-L278 PolarHBondContact O-N 2.94Å; L278-R282 WeakPolarHBondContact O-CD 3.31Å; L278-R282 VanDerWaalsContact O-CG 3.26Å; L278-R282 WeakPolarHBondContact O-CG 3.33Å |
| 279 | R | 83.7 | Confident | 76 | Confident | 58 Ų | 58 | 62.6 Ų | 62.6 | 22% | 0.219 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.6 | -40.8 | 172.6 | -75 | -78.8 | -66.9 | -165.2 | 4 | 111.7 | D86 Y275 V276 R282 | D86-R279 IonicContact OD1-CZ 3.45Å; D86-R279 IonicContact OD1-NE 3.66Å; D86-R279 IonicContact OD1-NH1 3.62Å; D86-R279 PolarHBondContact OD1-NH1 3.19Å; D86-R279 IonicContact OD2-CZ 3.89Å; D86-R279 IonicContact OD2-NH1 3.67Å; D86-R279 PolarHBondContact OD2-NH1 3.2Å; Y275-R279 HydrophobicContact CD2-CG 4.08Å; Y275-R279 HydrophobicContact CE2-CG 3.65Å; Y275-R279 WeakPolarHBondContact O-CG 3.33Å; Y275-R279 PolarHBondContact O-N 3.42Å; V276-R279 PolarHBondContact O-N 2.82Å; R279-R282 PolarHBondContact O-N 2.96Å |
| 280 | Q | 80.1 | Confident | 73.7 | Confident | 98 Ų | 98 | 63.9 Ų | 63.9 | 46% | 0.458 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 177.6 | -73.1 | 173.4 | 2.6 | 0 | 0 | 112.2 | V276 S277 R282 G283 | V276-Q280 WeakPolarHBondContact O-CG 3.21Å; V276-Q280 PolarHBondContact O-N 2.87Å; S277-Q280 PolarHBondContact O-N 3.12Å; Q280-R282 PolarHBondContact O-N 2.93Å; Q280-G283 PolarHBondContact O-N 3.22Å |
| 281 | C | 74.5 | Confident | 71.4 | Confident | 113 Ų | 113 | 67.1 Ų | 67.1 | 76% | 0.764 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.1 | -20 | 178 | -67.7 | 0 | 0 | 0 | 0 | 113.9 | S277 | S277-C281 PolarHBondContact O-N 3.15Å; S277-C281 VanDerWaalsContact O-N 3.17Å; S277-C281 PolarHBondContact O-SG 2.77Å |
| 282 | R | 70.1 | Confident | 69 | Low | 154 Ų | 154 | 67.8 Ų | 67.8 | 58% | 0.581 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -0.4 | -176.2 | -67.7 | 176.6 | 88.1 | 167.8 | 11 | 114.1 | L278 R279 Q280 G284 | L278-R282 WeakPolarHBondContact O-CD 3.31Å; L278-R282 VanDerWaalsContact O-CG 3.26Å; L278-R282 WeakPolarHBondContact O-CG 3.33Å; R279-R282 PolarHBondContact O-N 2.96Å; Q280-R282 PolarHBondContact O-N 2.93Å; R282-G284 PolarHBondContact O-N 2.73Å |
| 283 | G | 57.4 | Low | 66.5 | Low | 70 Ų | 70 | 70.7 Ų | 70.7 | 72% | 0.722 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 17.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q280 | Q280-G283 PolarHBondContact O-N 3.22Š|
| 284 | G | 52.7 | Low | 64.3 | Low | 25 Ų | 25 | 69.5 Ų | 69.5 | 26% | 0.258 | 41% | 0.41 | S | S | . | . | trans | -66.8 | 145.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110 | R282 V286 | R282-G284 PolarHBondContact O-N 2.73Å; G284-V286 PolarHBondContact O-N 2.68Å | ||
| 285 | E | 46.1 | Very low | 61.8 | Low | 180 Ų | 180 | 72.1 Ų | 72.1 | 84% | 0.841 | 42% | 0.418 | S | S | * | . | trans | -38.3 | 106.2 | 177.8 | -70.4 | 177.9 | 176.4 | 0 | 0 | 110.5 | F287 | E285-F287 PolarHBondContact O-N 3.45Š| ||
| 286 | V | 43 | Very low | 59.4 | Low | 91 Ų | 91 | 79.4 Ų | 79.4 | 55% | 0.552 | 45% | 0.449 | S | S | * | . | trans | -70.4 | 128.4 | -176.5 | 180 | 0 | 0 | 0 | 0 | 106.5 | G284 V292 | G284-V286 PolarHBondContact O-N 2.68Å; V286-V292 HydrophobicContact CG1-CG2 4.06Å | ||
| 287 | F | 51.5 | Low | 57.2 | Low | 24 Ų | 24 | 83 Ų | 83 | 11% | 0.105 | 47% | 0.468 | C | S | . | . | trans | -39.2 | 144.6 | 170.7 | -59.8 | -68.3 | 0 | 0 | 0 | 111.1 | Y89 Y275 V276 E285 | Y89-F287 AromaticContact CD1-CE1 3.93Å; Y89-F287 HydrophobicContact CD1-CE1 3.93Å; Y89-F287 HydrophobicContact CD2-CD1 4.3Å; Y89-F287 AromaticContact CD2-CE1 3.54Å; Y89-F287 HydrophobicContact CD2-CE1 3.54Å; Y89-F287 HydrophobicContact CD2-CZ 4.26Å; Y89-F287 HydrophobicContact CE1-CD1 4.1Å; Y89-F287 AromaticContact CE1-CE1 3.62Å; Y89-F287 HydrophobicContact CE1-CE1 3.62Å; Y89-F287 AromaticContact CE2-CD1 3.5Å; Y89-F287 HydrophobicContact CE2-CD1 3.5Å; Y89-F287 AromaticContact CE2-CE1 3.18Å; Y89-F287 HydrophobicContact CE2-CE1 3.18Å; Y89-F287 HydrophobicContact CE2-CZ 4.26Å; Y89-F287 AromaticContact CG-CE1 3.91Å; Y89-F287 HydrophobicContact CG-CE1 3.91Å; Y89-F287 AromaticContact CZ-CD1 3.39Å; Y89-F287 AromaticContact CZ-CE1 3.25Å; Y89-F287 WeakPolarHBondContact OH-CD1 3.36Å; Y275-F287 HydrophobicContact CE1-CE2 4.14Å; Y275-F287 AromaticContact CE1-CZ 3.78Å; Y275-F287 HydrophobicContact CE1-CZ 3.78Å; V276-F287 HydrophobicContact CG2-CE2 4.39Å; E285-F287 PolarHBondContact O-N 3.45Å | ||
| 288 | S | 44.8 | Very low | 55.2 | Low | 65 Ų | 65 | 81.8 Ų | 81.8 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | trans | -46.8 | 141.9 | -172.2 | 83.7 | 0 | 0 | 0 | 0 | 111.3 | A290 E291 | S288-A290 PolarHBondContact O-N 2.74Å; S288-E291 PolarHBondContact O-N 3.16Å | ||
| 289 | P | 41.4 | Very low | 53.2 | Low | 97 Ų | 97 | 86.6 Ų | 86.6 | 63% | 0.63 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -50.1 | -28 | -175.2 | -29.7 | 34.6 | 0 | 0 | 0 | 114.6 | E291 V292 I293 | P289-E291 PolarHBondContact O-N 3.09Å; P289-V292 PolarHBondContact O-N 2.77Å; P289-I293 HydrophobicContact CB-CD1 4.32Å; P289-I293 WeakPolarHBondContact O-CB 3.44Å; P289-I293 WeakPolarHBondContact O-CD1 3.28Å; P289-I293 WeakPolarHBondContact O-CG1 3.31Å; P289-I293 PolarHBondContact O-N 3.14Å |
| 290 | A | 46.9 | Very low | 51.3 | Low | 74 Ų | 74 | 92.1 Ų | 92.1 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.8 | -37.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S288 V292 G294 | S288-A290 PolarHBondContact O-N 2.74Å; A290-V292 VanDerWaalsContact C-N 3.32Å; A290-G294 PolarHBondContact O-N 2.98Å |
| 291 | E | 50.2 | Low | 49.9 | Very low | 68 Ų | 68 | 93.6 Ų | 93.6 | 32% | 0.318 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.1 | -29.3 | 177 | -68.1 | 177.2 | 158.3 | 0 | 0 | 110.9 | K93 W157 S288 P289 | K93-E291 IonicContact NZ-OE1 2.78Å; K93-E291 PolarHBondContact NZ-OE1 3.11Å; W157-E291 WeakPolarHBondContact CZ2-OE1 3.4Å; S288-E291 PolarHBondContact O-N 3.16Å; P289-E291 PolarHBondContact O-N 3.09Å |
| 292 | V | 46.7 | Very low | 49 | Very low | 35 Ų | 35 | 94.3 Ų | 94.3 | 21% | 0.212 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -79.5 | -35.8 | 177.5 | -176.8 | 0 | 0 | 0 | 0 | 112.4 | V286 P289 A290 G294 W295 K296 | V286-V292 HydrophobicContact CG1-CG2 4.06Å; P289-V292 PolarHBondContact O-N 2.77Å; A290-V292 VanDerWaalsContact C-N 3.32Å; V292-G294 VanDerWaalsContact C-N 3.3Å; V292-G294 PolarHBondContact O-N 2.79Å; V292-W295 PolarHBondContact O-N 3.42Å; V292-W295 VanDerWaalsContact O-N 3.16Å; V292-K296 PolarHBondContact O-N 3.24Å |
| 293 | I | 45.7 | Very low | 48.1 | Very low | 86 Ų | 86 | 90.7 Ų | 90.7 | 44% | 0.441 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.9 | -35.9 | 177.7 | -72.4 | 160.1 | 0 | 0 | 0 | 110.7 | P289 W295 K296 N297 | P289-I293 HydrophobicContact CB-CD1 4.32Å; P289-I293 WeakPolarHBondContact O-CB 3.44Å; P289-I293 WeakPolarHBondContact O-CD1 3.28Å; P289-I293 WeakPolarHBondContact O-CG1 3.31Å; P289-I293 PolarHBondContact O-N 3.14Å; I293-W295 PolarHBondContact O-N 3.13Å; I293-K296 PolarHBondContact O-N 3.29Å; I293-N297 VanDerWaalsContact CG2-ND2 3.29Å; I293-N297 WeakPolarHBondContact CG2-ND2 3.29Å; I293-N297 VanDerWaalsContact O-CB 3.25Å; I293-N297 WeakPolarHBondContact O-CB 3.5Å; I293-N297 VanDerWaalsContact O-CG 3.26Å; I293-N297 PolarHBondContact O-N 3.48Å; I293-N297 PolarHBondContact O-ND2 2.77Å |
| 294 | G | 47.3 | Very low | 47.6 | Very low | 40 Ų | 40 | 93.5 Ų | 93.5 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -54.9 | -38.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A290 V292 A298 | A290-G294 PolarHBondContact O-N 2.98Å; V292-G294 VanDerWaalsContact C-N 3.3Å; V292-G294 PolarHBondContact O-N 2.79Å; G294-A298 VanDerWaalsContact O-CB 3.24Å; G294-A298 WeakPolarHBondContact O-CB 3.21Å; G294-A298 PolarHBondContact O-N 2.98Å |
| 295 | W | 44.2 | Very low | 47.5 | Very low | 114 Ų | 114 | 96.4 Ų | 96.4 | 43% | 0.432 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -82.3 | -38.7 | 178.8 | -83 | 19.3 | 0 | 0 | 0 | 114.1 | Y272 V276 V292 I293 N297 A298 F299 | Y272-W295 AromaticContact CD1-CH2 3.99Å; Y272-W295 HydrophobicContact CD1-CH2 3.99Å; Y272-W295 HydrophobicContact CD1-CZ2 4.13Å; Y272-W295 AromaticContact CE1-CH2 3.68Å; Y272-W295 HydrophobicContact CE1-CH2 3.68Å; Y272-W295 AromaticContact CE1-CZ2 3.67Å; Y272-W295 HydrophobicContact CE1-CZ2 3.67Å; V276-W295 HydrophobicContact CB-CZ3 4.32Å; V276-W295 HydrophobicContact CG1-CZ3 4.07Å; V276-W295 HydrophobicContact CG2-CH2 4.44Å; V292-W295 PolarHBondContact O-N 3.42Å; V292-W295 VanDerWaalsContact O-N 3.16Å; I293-W295 PolarHBondContact O-N 3.13Å; W295-N297 PolarHBondContact O-N 3.31Å; W295-A298 PolarHBondContact O-N 3.4Å; W295-F299 WeakPolarHBondContact O-CB 3.47Å; W295-F299 PolarHBondContact O-N 3.08Å |
| 296 | K | 44.8 | Very low | 47.6 | Very low | 153 Ų | 153 | 98 Ų | 98 | 67% | 0.665 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62 | -37.8 | 171.5 | -73.6 | -171.6 | 177.3 | -176.5 | 0 | 111.1 | V292 I293 R300 | V292-K296 PolarHBondContact O-N 3.24Å; I293-K296 PolarHBondContact O-N 3.29Å; K296-R300 WeakPolarHBondContact O-CB 3.34Å; K296-R300 PolarHBondContact O-N 3.24Å |
| 297 | N | 47 | Very low | 47.5 | Very low | 83 Ų | 83 | 100.2 Ų | 100.2 | 44% | 0.444 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.2 | -40.2 | 174.8 | -70.6 | -17.9 | 0 | 0 | 0 | 112 | I293 W295 R300 L301 | I293-N297 VanDerWaalsContact CG2-ND2 3.29Å; I293-N297 WeakPolarHBondContact CG2-ND2 3.29Å; I293-N297 VanDerWaalsContact O-CB 3.25Å; I293-N297 WeakPolarHBondContact O-CB 3.5Å; I293-N297 VanDerWaalsContact O-CG 3.26Å; I293-N297 PolarHBondContact O-N 3.48Å; I293-N297 PolarHBondContact O-ND2 2.77Å; W295-N297 PolarHBondContact O-N 3.31Å; N297-R300 PolarHBondContact O-N 3.22Å; N297-L301 VanDerWaalsContact O-CB 3.31Å; N297-L301 WeakPolarHBondContact O-CB 3.34Å; N297-L301 WeakPolarHBondContact O-CG 3.49Å; N297-L301 PolarHBondContact O-N 3.21Å |
| 298 | A | 50.6 | Low | 47 | Very low | 38 Ų | 38 | 111.5 Ų | 111.5 | 31% | 0.314 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.2 | -43.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G294 W295 R300 L301 I302 | G294-A298 VanDerWaalsContact O-CB 3.24Å; G294-A298 WeakPolarHBondContact O-CB 3.21Å; G294-A298 PolarHBondContact O-N 2.98Å; W295-A298 PolarHBondContact O-N 3.4Å; A298-R300 VanDerWaalsContact C-N 3.33Å; A298-R300 PolarHBondContact O-N 3.42Å; A298-L301 PolarHBondContact O-N 2.8Å; A298-I302 WeakPolarHBondContact O-CB 3.46Å; A298-I302 WeakPolarHBondContact O-CD1 3.35Å; A298-I302 WeakPolarHBondContact O-CG1 3.39Å; A298-I302 PolarHBondContact O-N 3.44Å |
| 299 | F | 48.5 | Very low | 47.1 | Very low | 153 Ų | 153 | 113.9 Ų | 113.9 | 67% | 0.671 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.2 | -40 | 175.5 | -131.4 | -91.3 | 0 | 0 | 0 | 111.1 | W295 I302 V303 | W295-F299 WeakPolarHBondContact O-CB 3.47Å; W295-F299 PolarHBondContact O-N 3.08Å; F299-I302 PolarHBondContact O-N 3.33Å; F299-V303 HydrophobicContact CD1-CG2 3.78Å; F299-V303 HydrophobicContact CE1-CG2 3.98Å; F299-V303 WeakPolarHBondContact O-CB 3.43Å; F299-V303 VanDerWaalsContact O-CG2 3.26Å; F299-V303 WeakPolarHBondContact O-CG2 3.28Å; F299-V303 PolarHBondContact O-N 2.84Å |
| 300 | R | 44.5 | Very low | 47.4 | Very low | 173 Ų | 173 | 114.7 Ų | 114.7 | 65% | 0.653 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.2 | -38.8 | 174.9 | -161.6 | 175 | -173.5 | 172.2 | 1.4 | 111.8 | K296 N297 A298 F304 | K296-R300 WeakPolarHBondContact O-CB 3.34Å; K296-R300 PolarHBondContact O-N 3.24Å; N297-R300 PolarHBondContact O-N 3.22Å; A298-R300 VanDerWaalsContact C-N 3.33Å; A298-R300 PolarHBondContact O-N 3.42Å; R300-F304 HydrophobicContact CG-CD2 3.97Å; R300-F304 HydrophobicContact CG-CE2 4.38Å; R300-F304 WeakPolarHBondContact O-CB 3.09Å; R300-F304 PolarHBondContact O-N 2.73Å |
| 301 | L | 50.3 | Low | 47.5 | Very low | 130 Ų | 130 | 117 Ų | 117 | 68% | 0.681 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -74.8 | -25.7 | 177.7 | -72.8 | 169.8 | 0 | 0 | 0 | 113.7 | N297 A298 P305 | N297-L301 VanDerWaalsContact O-CB 3.31Å; N297-L301 WeakPolarHBondContact O-CB 3.34Å; N297-L301 WeakPolarHBondContact O-CG 3.49Å; N297-L301 PolarHBondContact O-N 3.21Å; A298-L301 PolarHBondContact O-N 2.8Å; L301-P305 WeakPolarHBondContact O-CD 3.38Å; L301-P305 WeakPolarHBondContact O-CG 3.29Å |
| 302 | I | 55.3 | Low | 47.3 | Very low | 128 Ų | 128 | 119.9 Ų | 119.9 | 66% | 0.656 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -85.8 | -36.2 | 178.4 | -67.5 | 165.1 | 0 | 0 | 0 | 111.3 | A298 F299 P305 | A298-I302 WeakPolarHBondContact O-CB 3.46Å; A298-I302 WeakPolarHBondContact O-CD1 3.35Å; A298-I302 WeakPolarHBondContact O-CG1 3.39Å; A298-I302 PolarHBondContact O-N 3.44Å; F299-I302 PolarHBondContact O-N 3.33Å; I302-P305 WeakPolarHBondContact O-CD 3.24Å |
| 303 | V | 51.8 | Low | 47.4 | Very low | 78 Ų | 78 | 125.2 Ų | 125.2 | 47% | 0.473 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -85.9 | -30.6 | -175.1 | 178.5 | 0 | 0 | 0 | 0 | 112.7 | F299 | F299-V303 HydrophobicContact CD1-CG2 3.78Å; F299-V303 HydrophobicContact CE1-CG2 3.98Å; F299-V303 WeakPolarHBondContact O-CB 3.43Å; F299-V303 VanDerWaalsContact O-CG2 3.26Å; F299-V303 WeakPolarHBondContact O-CG2 3.28Å; F299-V303 PolarHBondContact O-N 2.84Å |
| 304 | F | 47.1 | Very low | 47.5 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 57% | 0.566 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -88.8 | -8.7 | -174.4 | -82.3 | -89.7 | 0 | 0 | 0 | 119.2 | R300 Y306 | R300-F304 HydrophobicContact CG-CD2 3.97Å; R300-F304 HydrophobicContact CG-CE2 4.38Å; R300-F304 WeakPolarHBondContact O-CB 3.09Å; R300-F304 PolarHBondContact O-N 2.73Å; F304-Y306 PolarHBondContact O-N 2.88Å |
| 305 | P | 50.9 | Low | 47.5 | Very low | 86 Ų | 86 | 134.1 Ų | 134.1 | 56% | 0.558 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -72.6 | -5.6 | 177.5 | -15.3 | 29.7 | 0 | 0 | 0 | 114.6 | L301 I302 | L301-P305 WeakPolarHBondContact O-CD 3.38Å; L301-P305 WeakPolarHBondContact O-CG 3.29Å; I302-P305 WeakPolarHBondContact O-CD 3.24Å |
| 306 | Y | 46.5 | Very low | 47.7 | Very low | 213 Ų | 213 | 135.6 Ų | 135.6 | 84% | 0.835 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -109.3 | 14.6 | -178.5 | -78.4 | -79.6 | 0 | 0 | 0 | 114.5 | F304 | F304-Y306 PolarHBondContact O-N 2.88Š|
| 307 | L | 41.8 | Very low | 48 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 72% | 0.723 | 65% | 0.649 | S | S | * | * | trans | -125.8 | 65.1 | 170.1 | -77.8 | 167.4 | 0 | 0 | 0 | 110.3 | ||||
| 308 | Q | 41.3 | Very low | 48.1 | Very low | 261 Ų | 261 | 138.8 Ų | 138.8 | 100% | 1.22 | 67% | 0.668 | S | S | * | * | trans | -150.3 | 0 | 155 | -106.3 | -176.6 | -30.5 | 0 | 0 | 108.2 |
Retrieved 308 of 308 residues in 307.4 ms
(Link to these results)