| 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 | 43.6 | Very low | 51.1 | Low | 243 Ų | 243 | 166.1 Ų | 166.1 | 100% | 1.197 | 86% | 0.861 | S | S | * | * | 0 | 131.5 | 0 | -84.7 | 164.3 | 145.7 | 0 | 0 | 107.5 | |||||
| 2 | E | 48.4 | Very low | 51.1 | Low | 198 Ų | 198 | 166.9 Ų | 166.9 | 93% | 0.925 | 87% | 0.866 | S | S | * | * | trans | 63.3 | 112.1 | 172.7 | -94.9 | 171.5 | 135.4 | 0 | 0 | 121.7 | ||||
| 3 | N | 45.7 | Very low | 50.9 | Low | 154 Ų | 154 | 163.2 Ų | 163.2 | 82% | 0.824 | 85% | 0.854 | S | S | * | * | trans | -96 | 126.7 | 172.6 | -65 | -38.3 | 0 | 0 | 0 | 109.3 | ||||
| 4 | G | 56.8 | Low | 51.4 | Low | 79 Ų | 79 | 167.9 Ų | 167.9 | 81% | 0.814 | 86% | 0.855 | S | S | * | * | trans | -93.5 | 106.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 5 | R | 52.1 | Low | 51.4 | Low | 217 Ų | 217 | 164.8 Ų | 164.8 | 82% | 0.819 | 85% | 0.85 | S | S | * | * | trans | -84.7 | 125 | 176.8 | -69.7 | 174.2 | 173.7 | 137.8 | -3.8 | 110.3 | ||||
| 6 | N | 56.3 | Low | 51.7 | Low | 166 Ų | 166 | 163.1 Ų | 163.1 | 89% | 0.888 | 85% | 0.849 | S | S | * | * | trans | -115.2 | 106 | 164 | -59.9 | 3.1 | 0 | 0 | 0 | 107.8 | ||||
| 7 | T | 53.6 | Low | 52.2 | Low | 107 Ų | 107 | 159 Ų | 159 | 66% | 0.656 | 84% | 0.838 | S | S | * | * | trans | -108.3 | 149.2 | 177.8 | 50.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 8 | N | 46 | Very low | 51.9 | Low | 127 Ų | 127 | 157.3 Ų | 157.3 | 68% | 0.679 | 84% | 0.838 | S | S | * | * | trans | 77.1 | 93.7 | 151.5 | -54.7 | -38.3 | 0 | 0 | 0 | 119.9 | ||||
| 9 | L | 51 | Low | 51.6 | Low | 185 Ų | 185 | 157.3 Ų | 157.3 | 97% | 0.969 | 84% | 0.837 | S | S | * | * | -135.1 | 93.5 | 129.6 | -76.9 | 177.5 | 0 | 0 | 0 | 108.9 | |||||
| 10 | R | 49.2 | Very low | 51.7 | Low | 236 Ų | 236 | 155.8 Ų | 155.8 | 89% | 0.891 | 84% | 0.839 | S | S | * | * | trans | -83.5 | 109.6 | 167.3 | -77.6 | 179.9 | 169.1 | -132.7 | -1.5 | 107.9 | ||||
| 11 | S | 59.2 | Low | 51.6 | Low | 115 Ų | 115 | 159.5 Ų | 159.5 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 135 | 162.8 | 61.9 | 0 | 0 | 0 | 0 | 109.7 | ||
| 12 | L | 51.9 | Low | 51.7 | Low | 176 Ų | 176 | 159.8 Ų | 159.8 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 129.2 | -171.5 | -74.9 | 146 | 0 | 0 | 0 | 113.7 | ||
| 13 | V | 48.3 | Very low | 52 | Low | 118 Ų | 118 | 159.7 Ų | 159.7 | 72% | 0.715 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 138.7 | 165.7 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 14 | R | 57.6 | Low | 52.9 | Low | 230 Ų | 230 | 162 Ų | 162 | 87% | 0.868 | 83% | 0.832 | S | S | * | * | -173.2 | 120.7 | 116.3 | -94.7 | 166.7 | -163.2 | 157.3 | 4.3 | 111.2 | |||||
| 15 | P | 51.5 | Low | 53.2 | Low | 121 Ų | 121 | 163.6 Ų | 163.6 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | trans | -77.6 | 132.8 | 167.5 | 32 | -30 | 0 | 0 | 0 | 109.3 | ||||
| 16 | V | 56.3 | Low | 53.4 | Low | 137 Ų | 137 | 159.3 Ų | 159.3 | 83% | 0.83 | 83% | 0.828 | S | S | * | * | trans | -107.3 | 115.4 | 173 | -165.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 17 | S | 59.6 | Low | 53.9 | Low | 94 Ų | 94 | 159.5 Ų | 159.5 | 66% | 0.657 | 83% | 0.828 | S | S | * | * | trans | -70.5 | 138.2 | 175.8 | 44.4 | 0 | 0 | 0 | 0 | 111.3 | L19 | S17-L19 VanDerWaalsContact C-N 3.34Å; S17-L19 PolarHBondContact O-N 3.47Å | ||
| 18 | P | 46.7 | Very low | 54.2 | Low | 129 Ų | 129 | 160 Ų | 160 | 84% | 0.838 | 83% | 0.833 | S | S | * | * | trans | -91.1 | 69 | 173.8 | 35.6 | -30 | 0 | 0 | 0 | 109.8 | ||||
| 19 | L | 46.8 | Very low | 54.2 | Low | 157 Ų | 157 | 161.2 Ų | 161.2 | 82% | 0.822 | 84% | 0.838 | S | S | * | * | trans | -136.7 | 70.7 | 172.1 | -103.6 | 107.8 | 0 | 0 | 0 | 110.6 | S17 | S17-L19 VanDerWaalsContact C-N 3.34Å; S17-L19 PolarHBondContact O-N 3.47Å | ||
| 20 | S | 52.9 | Low | 54.5 | Low | 126 Ų | 126 | 160.2 Ų | 160.2 | 88% | 0.881 | 83% | 0.834 | S | S | * | * | trans | -177.5 | 80.8 | 159.5 | -93.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 21 | R | 49.8 | Very low | 54.3 | Low | 235 Ų | 235 | 154.9 Ų | 154.9 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | trans | -145.5 | 53.1 | 167.2 | -164.1 | 173.9 | -82.5 | -143.2 | -2.1 | 110.3 | ||||
| 22 | W | 46.4 | Very low | 53.8 | Low | 249 Ų | 249 | 153.1 Ų | 153.1 | 94% | 0.943 | 82% | 0.82 | S | S | * | * | trans | -137.2 | 73.1 | 171.7 | -76.3 | 92.8 | 0 | 0 | 0 | 109.3 | ||||
| 23 | Q | 54.1 | Low | 53.7 | Low | 195 Ų | 195 | 151.6 Ų | 151.6 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | -159.1 | 107.6 | 159.3 | -115.1 | 170.8 | -26.1 | 0 | 0 | 108.5 | ||||
| 24 | K | 64.4 | Low | 53.8 | Low | 203 Ų | 203 | 152.7 Ų | 152.7 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 135 | 166.4 | -69.4 | 175.8 | 179.4 | 175.5 | 0 | 107.5 | ||
| 25 | P | 63.6 | Low | 53.5 | Low | 113 Ų | 113 | 152 Ų | 152 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 148.3 | 169 | 31.5 | -30.9 | 0 | 0 | 0 | 110.4 | ||
| 26 | P | 57.3 | Low | 53.6 | Low | 126 Ų | 126 | 152.7 Ų | 152.7 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 142.5 | 174.6 | 32.8 | -30.4 | 0 | 0 | 0 | 110.7 | ||
| 27 | L | 66.2 | Low | 53.4 | Low | 170 Ų | 170 | 153 Ų | 153 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 144.4 | 171.6 | -67.2 | 173 | 0 | 0 | 0 | 110.4 | ||
| 28 | P | 60 | Low | 52.8 | Low | 119 Ų | 119 | 151.4 Ų | 151.4 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 147.2 | 174.6 | 30 | -24.5 | 0 | 0 | 0 | 112.3 | ||
| 29 | I | 45.9 | Very low | 52.8 | Low | 151 Ų | 151 | 152.8 Ų | 152.8 | 77% | 0.774 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 132.4 | 171.4 | -104.7 | 153.2 | 0 | 0 | 0 | 108.6 | ||
| 30 | D | 56.3 | Low | 52.7 | Low | 165 Ų | 165 | 153.5 Ų | 153.5 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | -126.1 | 136 | 158.2 | -85.5 | -36.5 | 0 | 0 | 0 | 109 | ||||
| 31 | T | 45 | Very low | 52.6 | Low | 123 Ų | 123 | 154.2 Ų | 154.2 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -110.1 | 166.8 | -174.1 | -32.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 32 | A | 48.9 | Very low | 52.3 | Low | 79 Ų | 79 | 153.7 Ų | 153.7 | 65% | 0.653 | 80% | 0.796 | S | S | * | * | trans | 82 | 141 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 33 | D | 50.1 | Low | 52.2 | Low | 144 Ų | 144 | 153.9 Ų | 153.9 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | cis | -170.2 | 168.1 | -6.5 | -92.3 | -30.7 | 0 | 0 | 0 | 106.2 | ||||
| 34 | D | 50 | Low | 51.7 | Low | 141 Ų | 141 | 156.9 Ų | 156.9 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | 80 | 106 | 153.3 | -78.4 | -21.6 | 0 | 0 | 0 | 123.7 | ||||
| 35 | Y | 52.4 | Low | 50.7 | Low | 214 Ų | 214 | 151 Ų | 151 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | 33.1 | 125.2 | 118.6 | -74.1 | -84.3 | 0 | 0 | 0 | 122.1 | |||||
| 36 | D | 53.5 | Low | 49.5 | Very low | 137 Ų | 137 | 148.9 Ų | 148.9 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | 126.9 | 139.9 | 115 | -149.2 | 29.2 | 0 | 0 | 0 | 118.1 | |||||
| 37 | D | 52.6 | Low | 49.3 | Very low | 144 Ų | 144 | 152.7 Ų | 152.7 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | 46.1 | 130.5 | 163 | -95.6 | -25.1 | 0 | 0 | 0 | 120.3 | ||||
| 38 | G | 46.8 | Very low | 48.3 | Very low | 59 Ų | 59 | 151.6 Ų | 151.6 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | cis | 99.2 | 90 | 44.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 39 | D | 46.8 | Very low | 48 | Very low | 159 Ų | 159 | 155 Ų | 155 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -168.9 | 134.5 | 146.2 | -119.7 | -20.7 | 0 | 0 | 0 | 115.3 | ||||
| 40 | E | 44.7 | Very low | 47.9 | Very low | 171 Ų | 171 | 156.9 Ų | 156.9 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | -109.8 | 110.4 | 176.8 | 178.6 | -165.5 | -176.7 | 0 | 0 | 107.4 | ||||
| 41 | I | 50.4 | Low | 47.1 | Very low | 142 Ų | 142 | 159.7 Ų | 159.7 | 73% | 0.728 | 80% | 0.8 | S | S | * | * | trans | -148.1 | 116.9 | 158 | -83.1 | 118.1 | 0 | 0 | 0 | 111.7 | ||||
| 42 | R | 42.4 | Very low | 47.3 | Very low | 224 Ų | 224 | 160.3 Ų | 160.3 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | -28.9 | 138.9 | 154.2 | -61.5 | 163.6 | 169.3 | 162.9 | -2.2 | 114.1 | ||||
| 43 | R | 45.4 | Very low | 47.1 | Very low | 252 Ų | 252 | 164.3 Ų | 164.3 | 95% | 0.951 | 81% | 0.809 | S | S | * | * | -156 | 140.6 | 127.5 | -73.4 | -149.5 | -179.7 | -178.8 | 1.2 | 113 | |||||
| 44 | R | 42.9 | Very low | 46.9 | Very low | 258 Ų | 258 | 168.4 Ų | 168.4 | 97% | 0.974 | 81% | 0.813 | S | S | * | * | trans | -68.8 | 151.3 | -177.4 | -63.6 | 173.3 | 175.6 | -150.1 | -1.3 | 112.9 | ||||
| 45 | G | 43.1 | Very low | 46.6 | Very low | 81 Ų | 81 | 173.8 Ų | 173.8 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | trans | -158.2 | 105 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 46 | G | 39 | Very low | 46.2 | Very low | 68 Ų | 68 | 168.7 Ų | 168.7 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | trans | -94.5 | 151.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 47 | F | 52.6 | Low | 45.8 | Very low | 206 Ų | 206 | 173.7 Ų | 173.7 | 90% | 0.904 | 83% | 0.827 | S | S | * | * | trans | -141.4 | 113.4 | 159.3 | -89.2 | -82.1 | 0 | 0 | 0 | 109.3 | ||||
| 48 | D | 46.5 | Very low | 45.6 | Very low | 146 Ų | 146 | 172.1 Ų | 172.1 | 78% | 0.781 | 83% | 0.828 | S | S | * | * | trans | -87.6 | 129.2 | 171.9 | -80.5 | -56.9 | 0 | 0 | 0 | 110.6 | ||||
| 49 | H | 51.9 | Low | 45.6 | Very low | 190 Ų | 190 | 180.8 Ų | 180.8 | 88% | 0.88 | 84% | 0.842 | S | S | * | * | trans | -133.1 | 107.7 | 156.8 | -81.1 | -22.2 | 0 | 0 | 0 | 110.9 | ||||
| 50 | K | 44.8 | Very low | 45.4 | Very low | 191 Ų | 191 | 178.5 Ų | 178.5 | 83% | 0.83 | 84% | 0.838 | S | S | * | * | trans | -90.8 | 134 | 166.9 | -68.4 | 176.2 | 178 | 173.3 | 0 | 109.5 | ||||
| 51 | R | 39.2 | Very low | 45.6 | Very low | 225 Ų | 225 | 176 Ų | 176 | 85% | 0.849 | 84% | 0.837 | S | S | * | * | trans | 173.9 | 117.8 | 130.1 | -100.8 | -175.9 | 165.1 | 178.1 | -4.1 | 109.8 | ||||
| 52 | L | 49.2 | Very low | 45.3 | Very low | 136 Ų | 136 | 173.6 Ų | 173.6 | 71% | 0.712 | 84% | 0.838 | S | S | * | * | 59.8 | 113.1 | 104.9 | -58.8 | 178.3 | 0 | 0 | 0 | 111 | |||||
| 53 | D | 44.4 | Very low | 45.6 | Very low | 162 Ų | 162 | 171.1 Ų | 171.1 | 87% | 0.866 | 84% | 0.841 | S | S | * | * | -157.4 | 145.5 | 76.4 | -93 | -43.9 | 0 | 0 | 0 | 115.4 | |||||
| 54 | R | 46.5 | Very low | 45.5 | Very low | 231 Ų | 231 | 168.5 Ų | 168.5 | 87% | 0.872 | 84% | 0.837 | S | S | * | * | trans | -70.6 | 140.2 | 164.9 | -67.8 | 172.7 | 170.2 | -175.6 | -3.2 | 109.5 | ||||
| 55 | R | 43.3 | Very low | 45.1 | Very low | 254 Ų | 254 | 161.1 Ų | 161.1 | 96% | 0.958 | 83% | 0.825 | S | S | * | * | trans | -159.4 | 141.1 | 134.6 | -116 | 166.8 | -179.8 | -172.6 | -0.7 | 113.9 | ||||
| 56 | S | 44.1 | Very low | 45.5 | Very low | 107 Ų | 107 | 162.2 Ų | 162.2 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | trans | -78.5 | 153.1 | -164.1 | -57.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 57 | R | 45.3 | Very low | 45.8 | Very low | 241 Ų | 241 | 164.5 Ų | 164.5 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | 15.2 | 124.5 | 132.6 | -61.2 | 176 | 168.5 | -162.7 | -4.3 | 117.4 | ||||
| 58 | S | 48.1 | Very low | 45.7 | Very low | 112 Ų | 112 | 163.4 Ų | 163.4 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | 179.5 | 135 | 114.3 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 59 | R | 47.7 | Very low | 45.5 | Very low | 241 Ų | 241 | 163.7 Ų | 163.7 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | 43.3 | 123.8 | 136.9 | -76.7 | 174.6 | 159.8 | -157.5 | -5.5 | 120.6 | ||||
| 60 | S | 41 | Very low | 45 | Very low | 110 Ų | 110 | 159.3 Ų | 159.3 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -58.9 | 161.4 | 155.3 | 48.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 61 | P | 49.2 | Very low | 45 | Very low | 119 Ų | 119 | 156 Ų | 156 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | -146.4 | 169.8 | 92.6 | 35.1 | -16 | 0 | 0 | 0 | 115.3 | |||||
| 62 | A | 44.5 | Very low | 45.5 | Very low | 91 Ų | 91 | 151 Ų | 151 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | trans | -60.2 | 148.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 63 | L | 48.4 | Very low | 45.4 | Very low | 172 Ų | 172 | 147.8 Ų | 147.8 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | trans | -135.8 | 142.7 | 161 | -76.3 | 178.7 | 0 | 0 | 0 | 111.6 | ||||
| 64 | F | 43.1 | Very low | 45.5 | Very low | 197 Ų | 197 | 146.2 Ų | 146.2 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -66.2 | 154.9 | -170.6 | -85.6 | -110.9 | 0 | 0 | 0 | 114.3 | ||||
| 65 | S | 35.7 | Very low | 45.7 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -60.4 | 134.8 | 157.8 | 139.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 66 | S | 50.1 | Low | 46.1 | Very low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | trans | -146.2 | 123 | 155 | -73.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 67 | V | 47 | Very low | 46.1 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 70% | 0.703 | 81% | 0.806 | S | S | * | * | trans | -76 | 130.6 | 170.4 | 171.4 | 0 | 0 | 0 | 0 | 107.6 | L69 | V67-L69 HydrophobicContact CG1-CD1 4.36Š| ||
| 68 | H | 48.8 | Very low | 46.5 | Very low | 183 Ų | 183 | 128.6 Ų | 128.6 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | -119.6 | 117.7 | 161.1 | -85.9 | -76 | 0 | 0 | 0 | 109.6 | ||||
| 69 | L | 44.2 | Very low | 45.9 | Very low | 152 Ų | 152 | 132 Ų | 132 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | -83 | 143.9 | 168.4 | -126.9 | 75.4 | 0 | 0 | 0 | 109.2 | V67 | V67-L69 HydrophobicContact CG1-CD1 4.36Š| ||
| 70 | A | 40.4 | Very low | 46.2 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | 59 | 117.3 | 150 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 71 | S | 45.4 | Very low | 46.4 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -147 | 123 | 136.4 | -170.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 72 | S | 49.1 | Very low | 46.6 | Very low | 120 Ų | 120 | 130.8 Ų | 130.8 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -74.9 | 154.9 | 166.9 | 44.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 73 | G | 47.8 | Very low | 46.9 | Very low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | 179.4 | 118 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 74 | P | 46.2 | Very low | 47.2 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -97.2 | 138.5 | -175.4 | 35.2 | -28.5 | 0 | 0 | 0 | 111.6 | ||||
| 75 | T | 50.7 | Low | 47.8 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -146.5 | 112.5 | 162.8 | 56.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 76 | S | 51.7 | Low | 48.5 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | 35.2 | 109.3 | 142.6 | 60.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 77 | G | 44.7 | Very low | 48.9 | Very low | 77 Ų | 77 | 139 Ų | 139 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | 68.2 | 94.4 | 119.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 78 | V | 52.4 | Low | 49.7 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 83% | 0.83 | 82% | 0.817 | S | S | * | * | trans | -150 | 124.6 | 131.6 | 178.6 | 0 | 0 | 0 | 0 | 107.5 | I80 | V78-I80 HydrophobicContact CG1-CG1 4.46Š| ||
| 79 | E | 36.5 | Very low | 50.3 | Low | 183 Ų | 183 | 142.6 Ų | 142.6 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | trans | -77.6 | 115.9 | -180 | -177.7 | 177.9 | -180 | 0 | 0 | 110.5 | ||||
| 80 | I | 53.3 | Low | 51.1 | Low | 148 Ų | 148 | 142.1 Ų | 142.1 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | -133.5 | 119.7 | 166.2 | -60.4 | 177.9 | 0 | 0 | 0 | 107.1 | V78 | V78-I80 HydrophobicContact CG1-CG1 4.46Š| ||
| 81 | Q | 44.3 | Very low | 51.8 | Low | 168 Ų | 168 | 143.3 Ų | 143.3 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -58.9 | 133.4 | -178.9 | -63.4 | -173.3 | 37.5 | 0 | 0 | 111.7 | S83 | Q81-S83 PolarHBondContact O-N 2.82Š| ||
| 82 | P | 53.8 | Low | 52.4 | Low | 130 Ų | 130 | 148 Ų | 148 | 84% | 0.844 | 81% | 0.806 | S | S | * | * | trans | -87.4 | 98.3 | 165.9 | 31.5 | -25.4 | 0 | 0 | 0 | 108.9 | ||||
| 83 | S | 50.9 | Low | 52.6 | Low | 110 Ų | 110 | 153.2 Ų | 153.2 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -69.8 | 140.3 | 164.7 | 57.3 | 0 | 0 | 0 | 0 | 110.3 | Q81 | Q81-S83 PolarHBondContact O-N 2.82Š| ||
| 84 | E | 55.5 | Low | 53 | Low | 185 Ų | 185 | 155.4 Ų | 155.4 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -24.4 | 160.6 | 179.6 | -65.8 | 169.9 | 148.1 | 0 | 0 | 119.7 | ||||
| 85 | E | 55.2 | Low | 53.2 | Low | 185 Ų | 185 | 156.4 Ų | 156.4 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | 88.6 | 93.6 | 157.1 | -143 | 164.2 | -148.5 | 0 | 0 | 114.7 | ||||
| 86 | T | 49.9 | Very low | 53.1 | Low | 116 Ų | 116 | 158.9 Ų | 158.9 | 71% | 0.712 | 81% | 0.809 | S | S | * | * | -173.1 | 114.1 | 75.6 | -56.2 | 0 | 0 | 0 | 0 | 108.6 | R88 | T86-R88 PolarHBondContact O-N 3.37Š| |||
| 87 | R | 58.2 | Low | 53.2 | Low | 242 Ų | 242 | 159.1 Ų | 159.1 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | trans | -74.8 | 109.7 | 168.2 | -70.2 | -178.5 | 179.2 | -174 | 0.5 | 108.8 | I89 | R87-I89 PolarHBondContact O-N 3.38Š| ||
| 88 | R | 64.4 | Low | 53.7 | Low | 227 Ų | 227 | 161.1 Ų | 161.1 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | -81.5 | 108 | 166.3 | -73 | -177.7 | 176.2 | 178 | -2 | 109 | T86 I90 | T86-R88 PolarHBondContact O-N 3.37Å; R88-I90 PolarHBondContact O-N 3.48Å | ||
| 89 | I | 62.5 | Low | 53.6 | Low | 148 Ų | 148 | 163.6 Ų | 163.6 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -75.8 | 111.3 | 168.8 | -62.1 | 171.2 | 0 | 0 | 0 | 107.2 | R87 V91 | R87-I89 PolarHBondContact O-N 3.38Å; I89-V91 HydrophobicContact CG2-CG2 4.03Å; I89-V91 PolarHBondContact O-N 3.36Å | ||
| 90 | I | 61 | Low | 54.1 | Low | 142 Ų | 142 | 161.9 Ų | 161.9 | 73% | 0.728 | 80% | 0.797 | S | S | * | * | trans | -78.4 | 99.4 | 168.4 | -59.3 | 173.1 | 0 | 0 | 0 | 106.7 | R88 R92 | R88-I90 PolarHBondContact O-N 3.48Å; I90-R92 HydrophobicContact CG2-CG 4.08Å; I90-R92 PolarHBondContact O-N 3.41Å; I90-R92 VanDerWaalsContact O-N 3.07Å | ||
| 91 | V | 55.3 | Low | 54.2 | Low | 123 Ų | 123 | 162.2 Ų | 162.2 | 75% | 0.745 | 80% | 0.8 | S | S | * | * | trans | -75.1 | 94.5 | 167.1 | -178.4 | 0 | 0 | 0 | 0 | 107.4 | I89 R93 | I89-V91 HydrophobicContact CG2-CG2 4.03Å; I89-V91 PolarHBondContact O-N 3.36Å; V91-R93 PolarHBondContact O-N 3.43Å | ||
| 92 | R | 56.7 | Low | 54.5 | Low | 221 Ų | 221 | 160.6 Ų | 160.6 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -67.1 | 114.9 | 165 | -71.1 | -176.2 | 172.3 | 165.6 | -2.2 | 107.5 | I90 | I90-R92 HydrophobicContact CG2-CG 4.08Å; I90-R92 PolarHBondContact O-N 3.41Å; I90-R92 VanDerWaalsContact O-N 3.07Å | ||
| 93 | R | 53.5 | Low | 54.5 | Low | 228 Ų | 228 | 161.9 Ų | 161.9 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 136.2 | 161.3 | -81.6 | -175.8 | -162.2 | 178.1 | 4.8 | 107.9 | V91 L95 | V91-R93 PolarHBondContact O-N 3.43Å; R93-L95 PolarHBondContact O-N 3.07Å |
| 94 | P | 55.9 | Low | 54.3 | Low | 117 Ų | 117 | 162.7 Ų | 162.7 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 129.9 | 167.9 | 25.6 | -28.3 | 0 | 0 | 0 | 108.6 | Q96 | P94-Q96 PolarHBondContact O-N 3.35Š|
| 95 | L | 51 | Low | 54 | Low | 150 Ų | 150 | 162.9 Ų | 162.9 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 118.5 | 168.8 | -171.8 | 68 | 0 | 0 | 0 | 107 | R93 D97 | R93-L95 PolarHBondContact O-N 3.07Å; L95-D97 PolarHBondContact O-N 3.3Å |
| 96 | Q | 47.6 | Very low | 53.5 | Low | 183 Ų | 183 | 159.3 Ų | 159.3 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | -82.6 | 104 | 172.1 | -156.1 | 108.9 | 12 | 0 | 0 | 106.6 | P94 | P94-Q96 PolarHBondContact O-N 3.35Š| ||
| 97 | D | 53.9 | Low | 53.3 | Low | 122 Ų | 122 | 160.5 Ų | 160.5 | 65% | 0.652 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 137.7 | 171.2 | -68.5 | -43 | 0 | 0 | 0 | 110 | L95 K99 | L95-D97 PolarHBondContact O-N 3.3Å; D97-K99 PolarHBondContact O-N 3.36Å |
| 98 | P | 56.4 | Low | 52.9 | Low | 118 Ų | 118 | 159.1 Ų | 159.1 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -77 | 120.3 | 170.7 | 30.4 | -27.4 | 0 | 0 | 0 | 108.6 | ||
| 99 | K | 49.4 | Very low | 52 | Low | 189 Ų | 189 | 155.6 Ų | 155.6 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 118.9 | 165.9 | -76.5 | -174.5 | 178.2 | 178.9 | 0 | 108.9 | D97 | D97-K99 PolarHBondContact O-N 3.36Š|
| 100 | D | 48.1 | Very low | 51.2 | Low | 148 Ų | 148 | 154.2 Ų | 154.2 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 124.5 | 162.6 | -59.7 | -59.7 | 0 | 0 | 0 | 109.6 | ||
| 101 | D | 53.9 | Low | 50.5 | Low | 155 Ų | 155 | 156.6 Ų | 156.6 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | -126.8 | 92.4 | 161.1 | -73.7 | -42.3 | 0 | 0 | 0 | 107.4 | ||||
| 102 | V | 51.9 | Low | 50.4 | Low | 133 Ų | 133 | 155.7 Ų | 155.7 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | -110.2 | 106.6 | 163 | 175.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 103 | E | 53.9 | Low | 50.2 | Low | 157 Ų | 157 | 154.7 Ų | 154.7 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -128 | 115.8 | 163.7 | -75.2 | -143.9 | 136.7 | 0 | 0 | 110.9 | Y105 | E103-Y105 HydrophobicContact CB-CE2 4.23Å; E103-Y105 PolarHBondContact OE1-OH 3.31Å; E103-Y105 VanDerWaalsContact OE2-CE2 3.3Å; E103-Y105 WeakPolarHBondContact OE2-CE2 3.3Å | ||
| 104 | D | 45.6 | Very low | 50.2 | Low | 127 Ų | 127 | 148.9 Ų | 148.9 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | trans | -89.6 | 127.6 | 168 | 174.2 | 32 | 0 | 0 | 0 | 108 | ||||
| 105 | Y | 49.6 | Very low | 49.9 | Very low | 190 Ų | 190 | 150.5 Ų | 150.5 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | trans | -136.9 | 109.8 | 162.8 | -77.1 | -75.5 | 0 | 0 | 0 | 110.2 | E103 | E103-Y105 HydrophobicContact CB-CE2 4.23Å; E103-Y105 PolarHBondContact OE1-OH 3.31Å; E103-Y105 VanDerWaalsContact OE2-CE2 3.3Å; E103-Y105 WeakPolarHBondContact OE2-CE2 3.3Å | ||
| 106 | T | 44.5 | Very low | 49.6 | Very low | 110 Ų | 110 | 149.2 Ų | 149.2 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | trans | -74 | 146.5 | 172.5 | 47.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 107 | E | 45.4 | Very low | 49.8 | Very low | 141 Ų | 141 | 150.2 Ų | 150.2 | 66% | 0.659 | 76% | 0.763 | S | S | * | * | trans | 77.2 | 118.3 | 136.6 | -162 | 168.5 | -159.8 | 0 | 0 | 119.9 | Q109 | E107-Q109 HydrophobicContact CG-CG 4.45Å; E107-Q109 PolarHBondContact OE1-NE2 3.49Å | ||
| 108 | K | 49.8 | Very low | 49.7 | Very low | 212 Ų | 212 | 149.3 Ų | 149.3 | 92% | 0.922 | 77% | 0.766 | S | S | * | * | trans | -154.2 | 121.7 | 131.5 | -104.5 | 163.2 | -166.1 | -179.7 | 0 | 111.4 | ||||
| 109 | Q | 45.8 | Very low | 49.3 | Very low | 153 Ų | 153 | 155.1 Ų | 155.1 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | trans | -70 | 153.5 | -178.3 | -61.1 | 169.8 | 15 | 0 | 0 | 113.5 | E107 | E107-Q109 HydrophobicContact CG-CG 4.45Å; E107-Q109 PolarHBondContact OE1-NE2 3.49Å | ||
| 110 | S | 46.2 | Very low | 49.4 | Very low | 120 Ų | 120 | 150.7 Ų | 150.7 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | 148.4 | 145.8 | 131.3 | 56.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 111 | K | 46.6 | Very low | 49.1 | Very low | 192 Ų | 192 | 150.3 Ų | 150.3 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | cis | -177.8 | 143.1 | -21.2 | -166.6 | 172.1 | -172.6 | 172.2 | 0 | 105.3 | ||||
| 112 | S | 53.3 | Low | 48.7 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | 66.3 | 143.8 | 158.6 | 60.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 113 | K | 51.7 | Low | 48.6 | Very low | 199 Ų | 199 | 147.9 Ų | 147.9 | 87% | 0.865 | 74% | 0.744 | S | S | * | * | cis | -167.1 | 164 | 2.2 | -112.4 | 171.7 | -178.2 | -178.8 | 0 | 108.3 | ||||
| 114 | P | 53.7 | Low | 48.6 | Very low | 106 Ų | 106 | 146.3 Ų | 146.3 | 69% | 0.688 | 74% | 0.74 | S | S | * | * | trans | -111.8 | -174.5 | -167.9 | 40.2 | -27.9 | 0 | 0 | 0 | 114.7 | ||||
| 115 | N | 49.3 | Very low | 48.7 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 74% | 0.739 | S | S | * | * | trans | 106.9 | 144 | 166.7 | -62.4 | -1.7 | 0 | 0 | 0 | 114.3 | ||||
| 116 | D | 45.3 | Very low | 48.8 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 66% | 0.658 | 74% | 0.74 | S | S | * | * | cis | -176.6 | -178 | -16.8 | -161.1 | -10 | 0 | 0 | 0 | 104.1 | ||||
| 117 | Y | 51.6 | Low | 49.2 | Very low | 205 Ų | 205 | 151.2 Ų | 151.2 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | 105.8 | 91.3 | 170.3 | -52.4 | -64.1 | 0 | 0 | 0 | 116.5 | ||||
| 118 | S | 51 | Low | 49.2 | Very low | 103 Ų | 103 | 155.9 Ų | 155.9 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | 47.3 | 138.8 | 110.8 | -51.3 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 119 | R | 48.8 | Very low | 49.4 | Very low | 239 Ų | 239 | 153.7 Ų | 153.7 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | cis | -173.3 | 168.2 | -5 | -121 | -169.3 | 177.9 | -172.8 | 0.3 | 104.4 | ||||
| 120 | P | 52.2 | Low | 49 | Very low | 97 Ų | 97 | 157.2 Ų | 157.2 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | trans | -97.2 | 164.7 | -162.4 | 39.2 | -35.1 | 0 | 0 | 0 | 113.7 | ||||
| 121 | N | 41.4 | Very low | 49.3 | Very low | 139 Ų | 139 | 158.5 Ų | 158.5 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | 153.9 | 142.9 | 120.9 | -89.7 | -13.1 | 0 | 0 | 0 | 113.3 | |||||
| 122 | N | 45.9 | Very low | 49.3 | Very low | 121 Ų | 121 | 157.9 Ų | 157.9 | 65% | 0.647 | 76% | 0.763 | S | S | * | * | trans | 80.1 | 124.7 | 139.9 | -81.8 | 26.8 | 0 | 0 | 0 | 122.2 | ||||
| 123 | D | 49.9 | Very low | 49 | Very low | 117 Ų | 117 | 161.7 Ų | 161.7 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | 85.3 | 114.2 | 126.4 | -61.4 | -18.6 | 0 | 0 | 0 | 119.4 | |||||
| 124 | D | 53.3 | Low | 49 | Very low | 124 Ų | 124 | 156.5 Ų | 156.5 | 66% | 0.663 | 76% | 0.758 | S | S | * | * | 83.5 | 108.5 | 121.6 | -75.8 | -28.5 | 0 | 0 | 0 | 119.5 | |||||
| 125 | N | 48.3 | Very low | 48.8 | Very low | 121 Ų | 121 | 160.6 Ų | 160.6 | 65% | 0.647 | 77% | 0.765 | S | S | * | * | 81.6 | 129.3 | 118.7 | -78.4 | -45.2 | 0 | 0 | 0 | 119.4 | |||||
| 126 | K | 51.4 | Low | 48.9 | Very low | 175 Ų | 175 | 163 Ų | 163 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | trans | 78.2 | 105.8 | 140.8 | -71.4 | 167.7 | -177.3 | 171.3 | 0 | 117.3 | ||||
| 127 | R | 51.9 | Low | 48.9 | Very low | 233 Ų | 233 | 166 Ų | 166 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | 143.5 | 105 | 120.8 | -80.6 | 155.8 | 175.3 | -167.5 | -1.2 | 109.2 | |||||
| 128 | R | 45.1 | Very low | 49.4 | Very low | 239 Ų | 239 | 164 Ų | 164 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | 52 | 103 | 83.1 | -76.7 | -168.2 | 167.3 | -174.9 | -2.3 | 113.8 | |||||
| 129 | L | 53.9 | Low | 49.5 | Very low | 166 Ų | 166 | 164.8 Ų | 164.8 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | 176.6 | 91.1 | 148.5 | -97.5 | 148.5 | 0 | 0 | 0 | 104.7 | ||||
| 130 | R | 38.3 | Very low | 49.8 | Very low | 228 Ų | 228 | 164.4 Ų | 164.4 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | 45.6 | 92.2 | 77.3 | -151.1 | -176.2 | -157.8 | -171.8 | 5 | 112.2 | |||||
| 131 | D | 53.3 | Low | 49.7 | Very low | 147 Ų | 147 | 165.5 Ų | 165.5 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -165.4 | 100.8 | 146.7 | -79 | -35.5 | 0 | 0 | 0 | 105.9 | ||||
| 132 | E | 46.6 | Very low | 50.5 | Low | 178 Ų | 178 | 165.2 Ų | 165.2 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | 52.5 | 93.3 | 91.3 | -74.4 | -119.8 | 134.2 | 0 | 0 | 113.3 | |||||
| 133 | Q | 45.8 | Very low | 50.9 | Low | 185 Ų | 185 | 164.8 Ų | 164.8 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -171.9 | 108.4 | 130.1 | -105 | 174.5 | 20.7 | 0 | 0 | 112.4 | ||||
| 134 | S | 52.8 | Low | 50.9 | Low | 89 Ų | 89 | 167.4 Ų | 167.4 | 62% | 0.622 | 80% | 0.799 | S | S | * | * | 65.6 | 118.1 | 116.5 | -69.6 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 135 | K | 48.5 | Very low | 50.9 | Low | 192 Ų | 192 | 170.1 Ų | 170.1 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | 88.8 | 89.6 | 136.9 | -58.1 | 157.5 | -171.5 | 179.5 | 0 | 118 | ||||
| 136 | K | 51.1 | Low | 50.8 | Low | 201 Ų | 201 | 171.2 Ų | 171.2 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | 163.2 | 105.1 | 113 | -94.5 | 176.5 | 174.9 | 177.9 | 0 | 109.3 | M138 | K136-M138 PolarHBondContact O-N 2.95Š| |||
| 137 | L | 45.9 | Very low | 50.8 | Low | 186 Ų | 186 | 172.1 Ų | 172.1 | 97% | 0.974 | 81% | 0.809 | S | S | * | * | trans | -74.4 | 99.2 | 168.4 | -69.6 | 163.3 | 0 | 0 | 0 | 107.9 | ||||
| 138 | M | 61.7 | Low | 50.9 | Low | 163 Ų | 163 | 166.5 Ų | 166.5 | 80% | 0.803 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 133.8 | 159.5 | -68.3 | -162.7 | 76.5 | 0 | 0 | 108.4 | K136 R140 | K136-M138 PolarHBondContact O-N 2.95Å; M138-R140 PolarHBondContact O-N 3.02Å |
| 139 | P | 54.5 | Low | 51.4 | Low | 120 Ų | 120 | 160.7 Ų | 160.7 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 123 | 176.5 | 19.6 | -15.2 | 0 | 0 | 0 | 108.1 | ||
| 140 | R | 53.9 | Low | 51.1 | Low | 232 Ų | 232 | 157.5 Ų | 157.5 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 131.7 | 171.9 | -71 | -174.1 | 179.3 | -152.4 | 0.1 | 108.2 | M138 I142 | M138-R140 PolarHBondContact O-N 3.02Å; R140-I142 PolarHBondContact O-N 3.25Å; R140-I142 VanDerWaalsContact O-N 3.12Å |
| 141 | P | 49.5 | Very low | 51.5 | Low | 120 Ų | 120 | 153.7 Ų | 153.7 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 121.3 | 173.8 | 25 | -29 | 0 | 0 | 0 | 107.6 | P143 | P141-P143 WeakPolarHBondContact O-CD 3.48Å; P141-P143 VanDerWaalsContact O-N 3.17Å |
| 142 | I | 58.6 | Low | 51 | Low | 132 Ų | 132 | 152.4 Ų | 152.4 | 68% | 0.677 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 118.4 | 168.5 | -55.4 | 163.4 | 0 | 0 | 0 | 105.1 | R140 F144 | R140-I142 PolarHBondContact O-N 3.25Å; R140-I142 VanDerWaalsContact O-N 3.12Å; I142-F144 VanDerWaalsContact C-N 3.31Å; I142-F144 PolarHBondContact O-N 3.37Å |
| 143 | P | 54.6 | Low | 50.8 | Low | 113 Ų | 113 | 149.4 Ų | 149.4 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | -68.8 | 102.9 | 170.2 | 28.4 | -27.5 | 0 | 0 | 0 | 104.7 | P141 K145 | P141-P143 WeakPolarHBondContact O-CD 3.48Å; P141-P143 VanDerWaalsContact O-N 3.17Å; P143-K145 VanDerWaalsContact C-N 3.25Å; P143-K145 PolarHBondContact O-N 3.15Å | ||
| 144 | F | 50.7 | Low | 51 | Low | 172 Ų | 172 | 145.6 Ų | 145.6 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | -54.7 | 104.4 | 162.6 | -78.7 | -78 | 0 | 0 | 0 | 105.6 | I142 N146 | I142-F144 VanDerWaalsContact C-N 3.31Å; I142-F144 PolarHBondContact O-N 3.37Å; F144-N146 PolarHBondContact O-N 2.74Å | ||
| 145 | K | 51.6 | Low | 51.3 | Low | 181 Ų | 181 | 147.5 Ų | 147.5 | 79% | 0.787 | 77% | 0.773 | S | S | * | * | trans | -72 | 66.2 | 175.6 | -165.9 | 169.2 | -175.6 | 176.7 | 0 | 106.8 | P143 R147 | P143-K145 VanDerWaalsContact C-N 3.25Å; P143-K145 PolarHBondContact O-N 3.15Å; K145-R147 HydrophobicContact CG-CB 4.25Å; K145-R147 PolarHBondContact O-N 2.84Å | ||
| 146 | N | 48.1 | Very low | 52.6 | Low | 144 Ų | 144 | 140 Ų | 140 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | -72.6 | 65.9 | 156.7 | -68.1 | 1.6 | 0 | 0 | 0 | 105.6 | F144 P148 | F144-N146 PolarHBondContact O-N 2.74Å; N146-P148 VanDerWaalsContact O-CD 3.28Å; N146-P148 WeakPolarHBondContact O-CD 3.44Å | ||
| 147 | R | 50.1 | Low | 54.3 | Low | 193 Ų | 193 | 132.5 Ų | 132.5 | 73% | 0.728 | 72% | 0.72 | S | S | * | * | trans | -64.8 | 116.2 | 162.2 | -173.6 | 179.8 | -131.7 | -147.2 | 0.7 | 103.5 | K145 V149 | K145-R147 HydrophobicContact CG-CB 4.25Å; K145-R147 PolarHBondContact O-N 2.84Å; R147-V149 VanDerWaalsContact C-N 3.33Å; R147-V149 PolarHBondContact O-N 3.42Å | ||
| 148 | P | 54.2 | Low | 56.5 | Low | 115 Ų | 115 | 127.4 Ų | 127.4 | 75% | 0.747 | 69% | 0.694 | S | S | * | * | trans | -58.6 | 112.2 | 161.5 | -5.2 | 21.3 | 0 | 0 | 0 | 103.4 | N146 P150 | N146-P148 VanDerWaalsContact O-CD 3.28Å; N146-P148 WeakPolarHBondContact O-CD 3.44Å; P148-P150 VanDerWaalsContact O-N 3.12Å | ||
| 149 | V | 56.9 | Low | 58 | Low | 118 Ų | 118 | 123.7 Ų | 123.7 | 72% | 0.715 | 67% | 0.671 | S | S | * | * | trans | -45.4 | 125.2 | 159.1 | -96.2 | 0 | 0 | 0 | 0 | 104.9 | R147 I151 | R147-V149 VanDerWaalsContact C-N 3.33Å; R147-V149 PolarHBondContact O-N 3.42Å; V149-I151 PolarHBondContact O-N 3.35Å | ||
| 150 | P | 47.6 | Very low | 59.8 | Low | 98 Ų | 98 | 125.6 Ų | 125.6 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | trans | -54.5 | 121.7 | 171.4 | 24.6 | -29.5 | 0 | 0 | 0 | 104.2 | P148 T152 | P148-P150 VanDerWaalsContact O-N 3.12Å; P150-T152 PolarHBondContact O-N 3.47Å; P150-T152 PolarHBondContact O-OG1 3.27Å | ||
| 151 | I | 45.3 | Very low | 61.7 | Low | 149 Ų | 149 | 120.5 Ų | 120.5 | 76% | 0.764 | 66% | 0.659 | S | S | * | * | trans | -64.2 | 82.5 | 164.1 | -59.7 | 169.3 | 0 | 0 | 0 | 102.9 | V149 V153 | V149-I151 PolarHBondContact O-N 3.35Å; I151-V153 PolarHBondContact O-N 2.89Å | ||
| 152 | T | 43.9 | Very low | 63.8 | Low | 119 Ų | 119 | 117.7 Ų | 117.7 | 73% | 0.73 | 64% | 0.64 | S | S | * | * | trans | -50 | 105.7 | 148.3 | 12.8 | 0 | 0 | 0 | 0 | 102.2 | P150 P154 | P150-T152 PolarHBondContact O-N 3.47Å; P150-T152 PolarHBondContact O-OG1 3.27Å; T152-P154 WeakPolarHBondContact O-CD 3.18Å | ||
| 153 | V | 41.8 | Very low | 65.6 | Low | 116 Ų | 116 | 116.8 Ų | 116.8 | 70% | 0.703 | 65% | 0.645 | S | S | * | * | trans | -38.2 | 111.2 | 169.8 | -76.5 | 0 | 0 | 0 | 0 | 105.9 | I151 S155 | I151-V153 PolarHBondContact O-N 2.89Å; V153-S155 PolarHBondContact O-N 3.41Å | ||
| 154 | P | 49.4 | Very low | 67.6 | Low | 105 Ų | 105 | 113.9 Ų | 113.9 | 68% | 0.682 | 63% | 0.625 | S | S | * | * | trans | -69.1 | 98.3 | 174 | 27.9 | -29 | 0 | 0 | 0 | 102.7 | T152 G156 | T152-P154 WeakPolarHBondContact O-CD 3.18Å; P154-G156 PolarHBondContact O-N 3.42Å | ||
| 155 | S | 60 | Low | 69.7 | Low | 128 Ų | 128 | 106.8 Ų | 106.8 | 90% | 0.895 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -73.1 | 44.7 | 173.5 | 53.4 | 0 | 0 | 0 | 0 | 109.3 | V153 | V153-S155 PolarHBondContact O-N 3.41Š|
| 156 | G | 74.7 | Confident | 71.9 | Confident | 36 Ų | 36 | 102.9 Ų | 102.9 | 37% | 0.371 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -174.9 | 142.8 | -169 | 0 | 0 | 0 | 0 | 0 | 108.9 | P154 | P154-G156 PolarHBondContact O-N 3.42Š|
| 157 | I | 86.7 | Confident | 74.2 | Confident | 42 Ų | 42 | 96 Ų | 96 | 22% | 0.215 | 55% | 0.546 | C | S | . | . | trans | -81.9 | 142.1 | 178.2 | -64.8 | 157.5 | 0 | 0 | 0 | 107.6 | R159 T162 W198 I199 D200 | I157-R159 PolarHBondContact O-N 2.96Å; I157-T162 HydrophobicContact CG2-CG2 3.72Å; I157-T162 WeakPolarHBondContact CG2-OG1 3.36Å; I157-W198 HydrophobicContact CD1-CB 4.12Å; I157-I199 HydrophobicContact CD1-CB 4.13Å; I157-I199 HydrophobicContact CD1-CG2 3.2Å; I157-I199 HydrophobicContact CG1-CG2 4.32Å; I157-D200 HydrophobicContact CB-CB 4.45Å; I157-D200 WeakPolarHBondContact CB-OD2 3.42Å; I157-D200 HydrophobicContact CD1-CB 3.63Å; I157-D200 VanDerWaalsContact CD1-N 3.26Å; I157-D200 HydrophobicContact CG1-CB 4.03Å; I157-D200 PolarHBondContact N-OD2 2.78Å | ||
| 158 | D | 92.4 | Very high | 76.4 | Confident | 80 Ų | 80 | 90.1 Ų | 90.1 | 43% | 0.428 | 52% | 0.523 | S | S | . | . | trans | -74.1 | 95.9 | 172 | -171.2 | 15.7 | 0 | 0 | 0 | 110.6 | E160 N161 T162 | D158-E160 PolarHBondContact O-N 3.01Å; D158-E160 WeakPolarHBondContact OD1-CG 3.41Å; D158-N161 PolarHBondContact O-N 3.2Å; D158-N161 PolarHBondContact OD2-ND2 3.04Å; D158-T162 WeakPolarHBondContact O-CB 3.47Å; D158-T162 PolarHBondContact O-N 2.8Å; D158-T162 PolarHBondContact O-OG1 2.82Å | ||
| 159 | R | 94 | Very high | 78.4 | Confident | 84 Ų | 84 | 84.7 Ų | 84.7 | 32% | 0.317 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -19.4 | -172.7 | -64.9 | -175 | 175.5 | -174.6 | -3.4 | 113.4 | I157 W198 D200 E205 | I157-R159 PolarHBondContact O-N 2.96Å; R159-W198 HydrophobicContact CB-CD2 4.07Å; R159-W198 HydrophobicContact CB-CE3 4.46Å; R159-W198 HydrophobicContact CB-CH2 4.18Å; R159-W198 HydrophobicContact CB-CZ2 3.74Å; R159-W198 HydrophobicContact CG-CD2 3.6Å; R159-W198 HydrophobicContact CG-CE3 3.91Å; R159-W198 HydrophobicContact CG-CG 3.91Å; R159-W198 HydrophobicContact CG-CH2 4.49Å; R159-W198 HydrophobicContact CG-CZ2 4.22Å; R159-W198 HydrophobicContact CG-CZ3 4.35Å; R159-W198 WeakPolarHBondContact O-CZ2 3.39Å; R159-D200 IonicContact CZ-OD1 3.23Å; R159-D200 IonicContact NE-OD1 2.98Å; R159-D200 PolarHBondContact NE-OD1 3.05Å; R159-D200 IonicContact NE-OD2 3Å; R159-D200 IonicContact NH2-OD1 3.81Å; R159-D200 PolarHBondContact NH2-OD1 2.77Å; R159-E205 IonicContact CZ-OE1 2.75Å; R159-E205 IonicContact CZ-OE2 3.72Å; R159-E205 IonicContact NH1-OE1 2.87Å; R159-E205 PolarHBondContact NH1-OE1 2.87Å; R159-E205 IonicContact NH1-OE2 3.16Å; R159-E205 IonicContact NH2-OE1 4Å; R159-E205 PolarHBondContact NH2-OE1 2.93Å; R159-E205 VanDerWaalsContact NH2-OE1 3.16Å; R159-E205 IonicContact NH2-OE2 3.41Å; R159-E205 PolarHBondContact NH2-OE2 2.77Å |
| 160 | E | 92.9 | Very high | 80.3 | Confident | 161 Ų | 161 | 79 Ų | 79 | 75% | 0.752 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -36.4 | 174.7 | 47.3 | 169.2 | -139.4 | 0 | 0 | 112.6 | D158 | D158-E160 PolarHBondContact O-N 3.01Å; D158-E160 WeakPolarHBondContact OD1-CG 3.41Å |
| 161 | N | 93.4 | Very high | 82.6 | Confident | 124 Ų | 124 | 76.3 Ų | 76.3 | 66% | 0.663 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -2 | -176.6 | -66.5 | -55.3 | 0 | 0 | 0 | 113.4 | D158 | D158-N161 PolarHBondContact O-N 3.2Å; D158-N161 PolarHBondContact OD2-ND2 3.04Å |
| 162 | T | 93.7 | Very high | 84.9 | Confident | 61 Ų | 61 | 69.5 Ų | 69.5 | 37% | 0.374 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -113.4 | 124.7 | -179.6 | -52 | 0 | 0 | 0 | 0 | 111.3 | I157 D158 W198 | I157-T162 HydrophobicContact CG2-CG2 3.72Å; I157-T162 WeakPolarHBondContact CG2-OG1 3.36Å; D158-T162 WeakPolarHBondContact O-CB 3.47Å; D158-T162 PolarHBondContact O-N 2.8Å; D158-T162 PolarHBondContact O-OG1 2.82Å; T162-W198 PolarHBondContact O-NE1 2.89Å |
| 163 | C | 95 | Very high | 87.3 | Confident | 114 Ų | 114 | 67.2 Ų | 67.2 | 77% | 0.77 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 130.5 | 175.1 | -172.5 | 0 | 0 | 0 | 0 | 111.1 | ||
| 164 | P | 96.4 | Very high | 89.6 | Confident | 51 Ų | 51 | 67.7 Ų | 67.7 | 33% | 0.331 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 151.1 | 176.9 | 29.9 | -35.7 | 0 | 0 | 0 | 111.5 | N196 T197 W198 | P164-N196 HydrophobicContact CB-CB 4.08Å; P164-N196 HydrophobicContact CG-CB 4.24Å; P164-T197 CarbonylContact C-O 3.59Å; P164-T197 WeakPolarHBondContact CA-O 2.99Å; P164-T197 WeakPolarHBondContact CB-O 3.45Å; P164-W198 HydrophobicContact CB-CD2 4.4Å; P164-W198 HydrophobicContact CB-CZ2 4.17Å |
| 165 | M | 96 | Very high | 91.5 | Very high | 23 Ų | 23 | 64.9 Ų | 64.9 | 11% | 0.113 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 149.1 | 171.9 | 64.8 | -178.6 | -173.7 | 0 | 0 | 110.9 | L167 N196 T197 I199 L285 F290 I292 | M165-L167 PolarHBondContact O-N 3.19Å; M165-N196 WeakPolarHBondContact O-CA 3.33Å; M165-T197 HydrophobicContact CE-CG2 4.09Å; M165-T197 HydrophobicContact CG-CG2 4.49Å; M165-T197 WeakPolarHBondContact CG-O 3.25Å; M165-T197 PolarHBondContact N-O 2.88Å; M165-T197 PolarHBondContact O-N 3.39Å; M165-I199 HydrophobicContact CE-CB 4.26Å; M165-I199 HydrophobicContact CE-CD1 3.9Å; M165-I199 HydrophobicContact SD-CD1 4.46Å; M165-L285 HydrophobicContact CE-CD1 3.91Å; M165-F290 HydrophobicContact CE-CD1 3.8Å; M165-F290 HydrophobicContact CE-CE1 3.61Å; M165-F290 HydrophobicContact SD-CD1 4.45Å; M165-F290 HydrophobicContact SD-CE1 4.03Å; M165-I292 HydrophobicContact CB-CD1 4.32Å; M165-I292 HydrophobicContact CB-CG1 4.33Å; M165-I292 HydrophobicContact SD-CD1 4.4Å; M165-I292 HydrophobicContact SD-CG1 3.74Å |
| 166 | L | 96.7 | Very high | 93.1 | Very high | 99 Ų | 99 | 68 Ų | 68 | 52% | 0.518 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 117 | 172.3 | -177.9 | 65.6 | 0 | 0 | 0 | 109.9 | Q194 | L166-Q194 HydrophobicContact CD1-CB 4.17Å |
| 167 | L | 97 | Very high | 94 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 132.4 | 172.6 | -165.3 | 76.5 | 0 | 0 | 0 | 110.1 | M165 Q194 F195 T197 L206 L285 F290 V296 | M165-L167 PolarHBondContact O-N 3.19Å; L167-Q194 WeakPolarHBondContact O-CA 3.32Å; L167-F195 HydrophobicContact CB-CE2 4.43Å; L167-F195 HydrophobicContact CD2-CE1 4.15Å; L167-F195 HydrophobicContact CD2-CE2 3.75Å; L167-F195 HydrophobicContact CD2-CZ 3.48Å; L167-F195 VanDerWaalsContact CD2-CZ 3.48Å; L167-F195 PolarHBondContact N-O 3.4Å; L167-F195 PolarHBondContact O-N 2.82Å; L167-T197 HydrophobicContact CB-CG2 3.86Å; L167-T197 HydrophobicContact CD2-CG2 4.28Å; L167-T197 HydrophobicContact CG-CG2 4.48Å; L167-L206 HydrophobicContact CD2-CD1 4.35Å; L167-L206 HydrophobicContact CD2-CD2 4.08Å; L167-L206 HydrophobicContact CD2-CG 4.1Å; L167-L285 HydrophobicContact CD1-CD1 4.09Å; L167-L285 HydrophobicContact CD2-CD1 4.39Å; L167-F290 HydrophobicContact CD1-CE1 3.8Å; L167-F290 HydrophobicContact CD1-CE2 3.77Å; L167-F290 HydrophobicContact CD1-CZ 3.27Å; L167-V296 HydrophobicContact CD1-CG2 3.88Å; L167-V296 HydrophobicContact CD2-CG2 4.13Å; L167-V296 HydrophobicContact CG-CG2 4.23Å |
| 168 | R | 96.3 | Very high | 94.4 | Very high | 69 Ų | 69 | 68.1 Ų | 68.1 | 26% | 0.26 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 113.2 | 172.3 | -61.2 | 177.8 | 67 | -169.8 | -2.6 | 109.1 | E192 Q194 Y295 V296 | R168-E192 IonicContact CZ-OE1 3.4Å; R168-E192 IonicContact CZ-OE2 3.7Å; R168-E192 IonicContact NE-OE1 2.71Å; R168-E192 PolarHBondContact NE-OE1 2.79Å; R168-E192 IonicContact NE-OE2 3.75Å; R168-E192 IonicContact NH2-OE1 3.25Å; R168-E192 PolarHBondContact NH2-OE1 3.25Å; R168-E192 IonicContact NH2-OE2 2.79Å; R168-E192 PolarHBondContact NH2-OE2 2.71Å; R168-Q194 HydrophobicContact CG-CG 4.3Å; R168-Y295 HydrophobicContact CB-CD1 4.27Å; R168-V296 PolarHBondContact O-N 3.18Å |
| 169 | L | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.1 | -179.9 | -176.8 | 150.3 | 0 | 0 | 0 | 110 | E192 I193 F195 V210 F226 V296 C298 | L169-E192 CarbonylContact O-C 3.58Å; L169-I193 HydrophobicContact CD2-CB 4.42Å; L169-I193 HydrophobicContact CD2-CD1 4.17Å; L169-I193 PolarHBondContact N-O 2.93Å; L169-I193 PolarHBondContact O-N 2.84Å; L169-F195 HydrophobicContact CB-CE1 4.1Å; L169-F195 HydrophobicContact CD1-CE1 4.37Å; L169-F195 HydrophobicContact CD1-CZ 4.49Å; L169-V210 HydrophobicContact CD1-CG2 3.93Å; L169-V210 HydrophobicContact CD2-CG2 3.78Å; L169-F226 HydrophobicContact CD1-CD1 4.44Å; L169-F226 HydrophobicContact CD1-CE1 3.99Å; L169-V296 CarbonylContact C-O 3.55Å; L169-V296 VanDerWaalsContact CA-O 3.31Å; L169-V296 WeakPolarHBondContact CA-O 3.25Å; L169-V296 HydrophobicContact CB-CB 4.32Å; L169-V296 HydrophobicContact CD1-CB 4.35Å; L169-V296 HydrophobicContact CD1-CG1 3.81Å; L169-V296 HydrophobicContact CG-CB 4.26Å; L169-V296 HydrophobicContact CG-CG1 4.07Å; L169-C298 HydrophobicContact CD2-CB 4Å; L169-C298 HydrophobicContact CG-CB 4.44Å |
| 170 | F | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 142.8 | 172.1 | -60.5 | -80.2 | 0 | 0 | 0 | 109.6 | Y178 Y183 T188 P189 N191 E192 Y295 V296 D297 C298 | F170-Y178 HydrophobicContact CB-CD2 4.08Å; F170-Y178 HydrophobicContact CB-CE2 4.16Å; F170-Y183 AromaticContact CD2-CE1 3.66Å; F170-Y183 HydrophobicContact CD2-CE1 3.66Å; F170-Y183 AromaticContact CE2-CE1 3.85Å; F170-Y183 HydrophobicContact CE2-CE1 3.85Å; F170-Y183 HydrophobicContact CG-CE1 4.24Å; F170-T188 HydrophobicContact CE1-CG2 4.38Å; F170-T188 HydrophobicContact CE2-CG2 4.49Å; F170-T188 HydrophobicContact CZ-CG2 3.77Å; F170-P189 HydrophobicContact CD1-CB 3.91Å; F170-P189 HydrophobicContact CD1-CG 4.06Å; F170-P189 WeakPolarHBondContact CE1-O 3.49Å; F170-P189 HydrophobicContact CG-CB 4.48Å; F170-P189 HydrophobicContact CG-CG 4.28Å; F170-N191 VanDerWaalsContact CA-O 3.29Å; F170-N191 WeakPolarHBondContact CA-O 3.44Å; F170-E192 HydrophobicContact CD1-CB 3.97Å; F170-E192 HydrophobicContact CD1-CG 4.14Å; F170-E192 HydrophobicContact CE1-CB 3.71Å; F170-E192 HydrophobicContact CE1-CG 3.64Å; F170-E192 WeakPolarHBondContact CE1-OE2 3.12Å; F170-E192 HydrophobicContact CZ-CG 4.07Å; F170-Y295 AromaticContact CE2-CD1 3.94Å; F170-Y295 HydrophobicContact CE2-CD1 3.94Å; F170-Y295 HydrophobicContact CE2-CD2 4.46Å; F170-Y295 AromaticContact CE2-CG 3.85Å; F170-Y295 HydrophobicContact CE2-CG 3.85Å; F170-V296 PolarHBondContact N-O 3.08Å; F170-D297 CarbonylContact O-C 3.57Å; F170-D297 WeakPolarHBondContact O-CA 3.41Å; F170-C298 PolarHBondContact O-N 2.73Å |
| 171 | Y | 95.5 | Very high | 94.2 | Very high | 41 Ų | 41 | 62.3 Ų | 62.3 | 16% | 0.161 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 145.4 | 179.9 | 70.1 | -87.4 | 0 | 0 | 0 | 113.3 | Y178 N191 I193 V214 C298 I300 | Y171-Y178 VanDerWaalsContact O-CE2 3.29Å; Y171-Y178 WeakPolarHBondContact O-CE2 3.41Å; Y171-Y178 PolarHBondContact O-OH 3.35Å; Y171-N191 HydrophobicContact CD1-CB 3.92Å; Y171-N191 WeakPolarHBondContact CD1-O 3.4Å; Y171-N191 HydrophobicContact CD2-CB 4.18Å; Y171-N191 HydrophobicContact CE1-CB 3.66Å; Y171-N191 HydrophobicContact CE2-CB 3.92Å; Y171-N191 HydrophobicContact CG-CB 4.19Å; Y171-N191 PolarHBondContact N-O 2.92Å; Y171-N191 WeakPolarHBondContact O-CB 3.28Å; Y171-N191 PolarHBondContact O-ND2 2.91Å; Y171-I193 HydrophobicContact CD1-CD1 3.51Å; Y171-I193 HydrophobicContact CD1-CG1 3.65Å; Y171-I193 HydrophobicContact CE1-CD1 3.77Å; Y171-I193 HydrophobicContact CE1-CG1 3.65Å; Y171-I193 HydrophobicContact CG-CD1 4.34Å; Y171-V214 HydrophobicContact CD1-CG2 4.43Å; Y171-V214 HydrophobicContact CD2-CG2 3.7Å; Y171-V214 HydrophobicContact CE1-CG2 4.26Å; Y171-V214 HydrophobicContact CE2-CG2 3.5Å; Y171-V214 VanDerWaalsContact CE2-CG2 3.5Å; Y171-V214 HydrophobicContact CG-CG2 4.16Å; Y171-C298 CarbonylContact C-O 3.5Å; Y171-C298 VanDerWaalsContact CA-O 3.26Å; Y171-C298 WeakPolarHBondContact CA-O 3.33Å; Y171-I300 HydrophobicContact CD2-CD1 4.14Å |
| 172 | S | 94.4 | Very high | 94.1 | Very high | 6 Ų | 6 | 59.7 Ų | 59.7 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 131 | 178.2 | 168.2 | 0 | 0 | 0 | 0 | 110.2 | N174 R176 C298 I300 | S172-N174 VanDerWaalsContact C-N 3.31Å; S172-N174 PolarHBondContact OG-N 2.96Å; S172-R176 WeakPolarHBondContact CB-O 3.46Å; S172-R176 PolarHBondContact OG-O 3.33Å; S172-C298 PolarHBondContact N-O 2.78Å; S172-I300 PolarHBondContact O-N 3.45Å |
| 173 | T | 92.9 | Very high | 93.9 | Very high | 70 Ų | 70 | 56.8 Ų | 56.8 | 43% | 0.429 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -87.8 | 0 | 175.4 | 54.7 | 0 | 0 | 0 | 0 | 112.9 | A175 I216 | T173-A175 PolarHBondContact O-N 2.86Å; T173-I216 HydrophobicContact CG2-CD1 4.25Å |
| 174 | N | 90.8 | Very high | 93.4 | Very high | 126 Ų | 126 | 54 Ų | 54 | 67% | 0.674 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -88.6 | 18.9 | -174.5 | -66.3 | -22.8 | 0 | 0 | 0 | 113.2 | S172 R176 | S172-N174 VanDerWaalsContact C-N 3.31Å; S172-N174 PolarHBondContact OG-N 2.96Å; N174-R176 PolarHBondContact O-N 3.45Å |
| 175 | A | 89.6 | Confident | 92.6 | Very high | 47 Ų | 47 | 61.4 Ų | 61.4 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 56.6 | 16.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | T173 I300 V301 | T173-A175 PolarHBondContact O-N 2.86Å; A175-I300 PolarHBondContact N-O 2.78Å; A175-V301 HydrophobicContact CB-CB 4.14Å; A175-V301 HydrophobicContact CB-CG1 3.56Å; A175-V301 HydrophobicContact CB-CG2 3.8Å |
| 176 | R | 93.4 | Very high | 91.7 | Very high | 194 Ų | 194 | 72 Ų | 72 | 73% | 0.732 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -138.7 | 138.7 | -176.3 | -66.6 | -179.1 | -177.1 | -178.3 | 2 | 109.8 | S172 N174 | S172-R176 WeakPolarHBondContact CB-O 3.46Å; S172-R176 PolarHBondContact OG-O 3.33Å; N174-R176 PolarHBondContact O-N 3.45Å |
| 177 | H | 94.4 | Very high | 91.2 | Very high | 36 Ų | 36 | 76.5 Ų | 76.5 | 17% | 0.167 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 150.6 | 168.5 | -74.9 | -67.7 | 0 | 0 | 0 | 111.3 | H225 D297 | H177-H225 PolarHBondContact CE1-O 3.42Å; H177-D297 WeakPolarHBondContact CA-OD2 3.03Å; H177-D297 WeakPolarHBondContact CB-OD2 3.17Å; H177-D297 PolarHBondContact CE1-O 3.36Å; H177-D297 IonicContact CE1-OD2 3.54Å; H177-D297 IonicContact CG-OD2 3.24Å; H177-D297 VanDerWaalsContact CG-OD2 3.24Å; H177-D297 IonicContact ND1-OD2 3.84Å; H177-D297 PolarHBondContact ND1-OD2 3.17Å |
| 178 | Y | 93.9 | Very high | 90.9 | Very high | 44 Ų | 44 | 78.4 Ų | 78.4 | 17% | 0.173 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 150 | 172 | -78.8 | -70.4 | 0 | 0 | 0 | 110.7 | F170 Y171 P189 N191 D297 | F170-Y178 HydrophobicContact CB-CD2 4.08Å; F170-Y178 HydrophobicContact CB-CE2 4.16Å; Y171-Y178 VanDerWaalsContact O-CE2 3.29Å; Y171-Y178 WeakPolarHBondContact O-CE2 3.41Å; Y171-Y178 PolarHBondContact O-OH 3.35Å; Y178-P189 HydrophobicContact CD1-CB 3.97Å; Y178-P189 HydrophobicContact CD1-CG 3.87Å; Y178-P189 HydrophobicContact CD2-CB 3.85Å; Y178-P189 HydrophobicContact CD2-CG 3.68Å; Y178-P189 HydrophobicContact CE1-CB 3.75Å; Y178-P189 HydrophobicContact CE1-CG 4.2Å; Y178-P189 HydrophobicContact CE2-CB 3.61Å; Y178-P189 HydrophobicContact CE2-CG 4.01Å; Y178-P189 HydrophobicContact CG-CB 4.03Å; Y178-P189 HydrophobicContact CG-CG 3.62Å; Y178-N191 PolarHBondContact OH-ND2 2.7Å; Y178-N191 VanDerWaalsContact OH-ND2 3.16Å; Y178-D297 WeakPolarHBondContact CD2-OD1 3.46Å; Y178-D297 PolarHBondContact N-OD2 2.74Å; Y178-D297 VanDerWaalsContact N-OD2 3.08Å |
| 179 | S | 92.6 | Very high | 90.6 | Very high | 62 Ų | 62 | 75.7 Ų | 75.7 | 43% | 0.434 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 144.6 | 175.9 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | S181 D182 | S179-S181 PolarHBondContact O-N 3.44Å; S179-S181 PolarHBondContact OG-N 3.21Å; S179-D182 WeakPolarHBondContact CB-OD2 3.3Å; S179-D182 PolarHBondContact N-OD2 2.66Å; S179-D182 WeakPolarHBondContact O-CB 3.29Å; S179-D182 PolarHBondContact O-N 2.84Å |
| 180 | L | 92.4 | Very high | 90.3 | Very high | 60 Ų | 60 | 84.6 Ų | 84.6 | 31% | 0.314 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -57.6 | -21.5 | 172.6 | -69.2 | 172.4 | 0 | 0 | 0 | 112.4 | D182 V229 Y237 R239 | L180-D182 VanDerWaalsContact C-N 3.28Å; L180-D182 PolarHBondContact O-N 3.11Å; L180-V229 HydrophobicContact CD2-CG1 4.28Å; L180-Y237 WeakPolarHBondContact CD1-O 3.47Å; L180-R239 HydrophobicContact CD2-CB 3.95Å |
| 181 | S | 90.2 | Very high | 90.2 | Very high | 80 Ų | 80 | 87.1 Ų | 87.1 | 56% | 0.559 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -67.9 | -26 | 174.4 | -60.4 | 0 | 0 | 0 | 0 | 113.5 | S179 Y183 N184 | S179-S181 PolarHBondContact O-N 3.44Å; S179-S181 PolarHBondContact OG-N 3.21Å; S181-Y183 VanDerWaalsContact C-N 3.25Å; S181-Y183 PolarHBondContact O-N 3.42Å; S181-N184 WeakPolarHBondContact O-CB 3.41Å; S181-N184 PolarHBondContact O-N 3.38Å |
| 182 | D | 90.9 | Very high | 90.1 | Very high | 69 Ų | 69 | 87.7 Ų | 87.7 | 37% | 0.369 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -74.1 | -20.2 | -177.4 | -57.8 | -33.8 | 0 | 0 | 0 | 112.2 | S179 L180 R187 P189 | S179-D182 WeakPolarHBondContact CB-OD2 3.3Å; S179-D182 PolarHBondContact N-OD2 2.66Å; S179-D182 WeakPolarHBondContact O-CB 3.29Å; S179-D182 PolarHBondContact O-N 2.84Å; L180-D182 VanDerWaalsContact C-N 3.28Å; L180-D182 PolarHBondContact O-N 3.11Å; D182-R187 CarbonylContact O-C 3.55Å; D182-R187 VanDerWaalsContact O-O 3.12Å; D182-P189 HydrophobicContact CB-CG 4.27Å |
| 183 | Y | 90.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 87.9 Ų | 87.9 | 0% | 0.004 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -90.4 | -11 | 175.7 | -63.2 | -83.7 | 0 | 0 | 0 | 113.2 | F170 S181 R187 P189 V229 Y237 Y295 | F170-Y183 AromaticContact CD2-CE1 3.66Å; F170-Y183 HydrophobicContact CD2-CE1 3.66Å; F170-Y183 AromaticContact CE2-CE1 3.85Å; F170-Y183 HydrophobicContact CE2-CE1 3.85Å; F170-Y183 HydrophobicContact CG-CE1 4.24Å; S181-Y183 VanDerWaalsContact C-N 3.25Å; S181-Y183 PolarHBondContact O-N 3.42Å; Y183-R187 CarbonylContact C-O 3.42Å; Y183-R187 WeakPolarHBondContact CA-O 3.34Å; Y183-P189 HydrophobicContact CE1-CG 4.18Å; Y183-P189 HydrophobicContact CE2-CG 4.49Å; Y183-V229 HydrophobicContact CD1-CG1 4.22Å; Y183-V229 HydrophobicContact CD2-CG1 3.94Å; Y183-V229 HydrophobicContact CE1-CG1 4.4Å; Y183-V229 HydrophobicContact CE2-CG1 4.12Å; Y183-V229 HydrophobicContact CE2-CG2 4.09Å; Y183-V229 HydrophobicContact CG-CG1 3.98Å; Y183-Y237 WeakPolarHBondContact O-CE2 3.39Å; Y183-Y295 AromaticContact CD1-CD2 3.71Å; Y183-Y295 HydrophobicContact CD1-CD2 3.71Å; Y183-Y295 HydrophobicContact CD1-CE2 4.13Å; Y183-Y295 AromaticContact CE1-CD2 3.97Å; Y183-Y295 HydrophobicContact CE1-CD2 3.97Å; Y183-Y295 HydrophobicContact CE1-CG 4.43Å |
| 184 | N | 84.7 | Confident | 90.3 | Very high | 55 Ų | 55 | 90 Ų | 90 | 29% | 0.294 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -72.3 | 158.9 | -178.2 | -72.5 | -29.7 | 0 | 0 | 0 | 111.6 | S181 R186 R187 | S181-N184 WeakPolarHBondContact O-CB 3.41Å; S181-N184 PolarHBondContact O-N 3.38Å; N184-R186 VanDerWaalsContact C-N 3.32Å; N184-R186 PolarHBondContact O-N 3.22Å; N184-R187 PolarHBondContact O-N 3.24Å |
| 185 | K | 79 | Confident | 90.6 | Very high | 206 Ų | 206 | 85.1 Ų | 85.1 | 90% | 0.896 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | 61.8 | 31.7 | 175.6 | -52.1 | 179.3 | 179.9 | 179.6 | 0 | 114.8 | R187 | K185-R187 PolarHBondContact O-N 3.48Å; K185-R187 VanDerWaalsContact O-N 3.15Å |
| 186 | R | 77.5 | Confident | 90.9 | Very high | 246 Ų | 246 | 88.1 Ų | 88.1 | 93% | 0.928 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | 62 | 16.2 | -179.9 | -52.4 | 175.6 | 176.7 | -94.7 | 1.1 | 113.7 | N184 | N184-R186 VanDerWaalsContact C-N 3.32Å; N184-R186 PolarHBondContact O-N 3.22Å |
| 187 | R | 87 | Confident | 91 | Very high | 194 Ų | 194 | 79.3 Ų | 79.3 | 73% | 0.732 | 38% | 0.378 | S | S | * | . | trans | -91.1 | 147.1 | 169.7 | -165.4 | 174.6 | -176.1 | -173 | 1.1 | 108.6 | D182 Y183 N184 K185 | D182-R187 CarbonylContact O-C 3.55Å; D182-R187 VanDerWaalsContact O-O 3.12Å; Y183-R187 CarbonylContact C-O 3.42Å; Y183-R187 WeakPolarHBondContact CA-O 3.34Å; N184-R187 PolarHBondContact O-N 3.24Å; K185-R187 PolarHBondContact O-N 3.48Å; K185-R187 VanDerWaalsContact O-N 3.15Å | ||
| 188 | T | 89.3 | Confident | 91.1 | Very high | 40 Ų | 40 | 80.3 Ų | 80.3 | 25% | 0.245 | 38% | 0.38 | C | S | . | . | trans | -125.3 | 155.7 | 170.2 | 51.5 | 0 | 0 | 0 | 0 | 109.5 | F170 | F170-T188 HydrophobicContact CE1-CG2 4.38Å; F170-T188 HydrophobicContact CE2-CG2 4.49Å; F170-T188 HydrophobicContact CZ-CG2 3.77Å | ||
| 189 | P | 91.1 | Very high | 91 | Very high | 13 Ų | 13 | 80.4 Ų | 80.4 | 8% | 0.084 | 38% | 0.383 | C | S | . | . | trans | -56 | 154.8 | 172.2 | -23.2 | 32.9 | 0 | 0 | 0 | 112.6 | F170 Y178 D182 Y183 | F170-P189 HydrophobicContact CD1-CB 3.91Å; F170-P189 HydrophobicContact CD1-CG 4.06Å; F170-P189 WeakPolarHBondContact CE1-O 3.49Å; F170-P189 HydrophobicContact CG-CB 4.48Å; F170-P189 HydrophobicContact CG-CG 4.28Å; Y178-P189 HydrophobicContact CD1-CB 3.97Å; Y178-P189 HydrophobicContact CD1-CG 3.87Å; Y178-P189 HydrophobicContact CD2-CB 3.85Å; Y178-P189 HydrophobicContact CD2-CG 3.68Å; Y178-P189 HydrophobicContact CE1-CB 3.75Å; Y178-P189 HydrophobicContact CE1-CG 4.2Å; Y178-P189 HydrophobicContact CE2-CB 3.61Å; Y178-P189 HydrophobicContact CE2-CG 4.01Å; Y178-P189 HydrophobicContact CG-CB 4.03Å; Y178-P189 HydrophobicContact CG-CG 3.62Å; D182-P189 HydrophobicContact CB-CG 4.27Å; Y183-P189 HydrophobicContact CE1-CG 4.18Å; Y183-P189 HydrophobicContact CE2-CG 4.49Å | ||
| 190 | E | 89.5 | Confident | 91.1 | Very high | 187 Ų | 187 | 78.4 Ų | 78.4 | 87% | 0.874 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -73.1 | -35.8 | -177 | -173.7 | 173.8 | -177.5 | 0 | 0 | 113 | E192 | E190-E192 VanDerWaalsContact C-N 3.32Å; E190-E192 PolarHBondContact O-N 3.15Å |
| 191 | N | 93.8 | Very high | 91.2 | Very high | 53 Ų | 53 | 75.6 Ų | 75.6 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | trans | -78.3 | 78.1 | -178.2 | -69.1 | -19.2 | 0 | 0 | 0 | 111.3 | F170 Y171 Y178 | F170-N191 VanDerWaalsContact CA-O 3.29Å; F170-N191 WeakPolarHBondContact CA-O 3.44Å; Y171-N191 HydrophobicContact CD1-CB 3.92Å; Y171-N191 WeakPolarHBondContact CD1-O 3.4Å; Y171-N191 HydrophobicContact CD2-CB 4.18Å; Y171-N191 HydrophobicContact CE1-CB 3.66Å; Y171-N191 HydrophobicContact CE2-CB 3.92Å; Y171-N191 HydrophobicContact CG-CB 4.19Å; Y171-N191 PolarHBondContact N-O 2.92Å; Y171-N191 WeakPolarHBondContact O-CB 3.28Å; Y171-N191 PolarHBondContact O-ND2 2.91Å; Y178-N191 PolarHBondContact OH-ND2 2.7Å; Y178-N191 VanDerWaalsContact OH-ND2 3.16Å | ||
| 192 | E | 94.5 | Very high | 91.5 | Very high | 52 Ų | 52 | 73.4 Ų | 73.4 | 24% | 0.243 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 137.3 | -179.5 | -169.8 | 175.7 | 157.7 | 0 | 0 | 111.9 | R168 L169 F170 E190 Q194 | R168-E192 IonicContact CZ-OE1 3.4Å; R168-E192 IonicContact CZ-OE2 3.7Å; R168-E192 IonicContact NE-OE1 2.71Å; R168-E192 PolarHBondContact NE-OE1 2.79Å; R168-E192 IonicContact NE-OE2 3.75Å; R168-E192 IonicContact NH2-OE1 3.25Å; R168-E192 PolarHBondContact NH2-OE1 3.25Å; R168-E192 IonicContact NH2-OE2 2.79Å; R168-E192 PolarHBondContact NH2-OE2 2.71Å; L169-E192 CarbonylContact O-C 3.58Å; F170-E192 HydrophobicContact CD1-CB 3.97Å; F170-E192 HydrophobicContact CD1-CG 4.14Å; F170-E192 HydrophobicContact CE1-CB 3.71Å; F170-E192 HydrophobicContact CE1-CG 3.64Å; F170-E192 WeakPolarHBondContact CE1-OE2 3.12Å; F170-E192 HydrophobicContact CZ-CG 4.07Å; E190-E192 VanDerWaalsContact C-N 3.32Å; E190-E192 PolarHBondContact O-N 3.15Å; E192-Q194 HydrophobicContact CG-CG 4.18Å; E192-Q194 VanDerWaalsContact OE1-CG 3.3Å; E192-Q194 WeakPolarHBondContact OE1-CG 3.3Å; E192-Q194 PolarHBondContact OE1-NE2 2.74Å |
| 193 | I | 95.7 | Very high | 91.7 | Very high | 11 Ų | 11 | 70.2 Ų | 70.2 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129.1 | 170.3 | -56.7 | 173 | 0 | 0 | 0 | 107 | L169 Y171 F195 V210 V213 | L169-I193 HydrophobicContact CD2-CB 4.42Å; L169-I193 HydrophobicContact CD2-CD1 4.17Å; L169-I193 PolarHBondContact N-O 2.93Å; L169-I193 PolarHBondContact O-N 2.84Å; Y171-I193 HydrophobicContact CD1-CD1 3.51Å; Y171-I193 HydrophobicContact CD1-CG1 3.65Å; Y171-I193 HydrophobicContact CE1-CD1 3.77Å; Y171-I193 HydrophobicContact CE1-CG1 3.65Å; Y171-I193 HydrophobicContact CG-CD1 4.34Å; I193-F195 HydrophobicContact CG2-CD1 3.96Å; I193-F195 HydrophobicContact CG2-CE1 4.31Å; I193-V210 HydrophobicContact CD1-CG2 4.43Å; I193-V213 HydrophobicContact CD1-CB 3.77Å; I193-V213 HydrophobicContact CD1-CG1 3.91Å; I193-V213 HydrophobicContact CD1-CG2 4.01Å; I193-V213 HydrophobicContact CG1-CB 4.32Å; I193-V213 HydrophobicContact CG1-CG1 4.08Å; I193-V213 HydrophobicContact CG1-CG2 4.26Å; I193-V213 HydrophobicContact CG2-CG2 4.02Å |
| 194 | Q | 95.9 | Very high | 91.8 | Very high | 115 Ų | 115 | 71.6 Ų | 71.6 | 54% | 0.537 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 131.5 | 177.3 | -63.8 | -174.8 | 11.2 | 0 | 0 | 110.1 | L166 L167 R168 E192 | L166-Q194 HydrophobicContact CD1-CB 4.17Å; L167-Q194 WeakPolarHBondContact O-CA 3.32Å; R168-Q194 HydrophobicContact CG-CG 4.3Å; E192-Q194 HydrophobicContact CG-CG 4.18Å; E192-Q194 VanDerWaalsContact OE1-CG 3.3Å; E192-Q194 WeakPolarHBondContact OE1-CG 3.3Å; E192-Q194 PolarHBondContact OE1-NE2 2.74Å |
| 195 | F | 96 | Very high | 92.3 | Very high | 22 Ų | 22 | 72.1 Ų | 72.1 | 10% | 0.096 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 157.2 | 175.8 | 56 | -83.4 | 0 | 0 | 0 | 111.3 | L167 L169 I193 T197 L206 E209 | L167-F195 HydrophobicContact CB-CE2 4.43Å; L167-F195 HydrophobicContact CD2-CE1 4.15Å; L167-F195 HydrophobicContact CD2-CE2 3.75Å; L167-F195 HydrophobicContact CD2-CZ 3.48Å; L167-F195 VanDerWaalsContact CD2-CZ 3.48Å; L167-F195 PolarHBondContact N-O 3.4Å; L167-F195 PolarHBondContact O-N 2.82Å; L169-F195 HydrophobicContact CB-CE1 4.1Å; L169-F195 HydrophobicContact CD1-CE1 4.37Å; L169-F195 HydrophobicContact CD1-CZ 4.49Å; I193-F195 HydrophobicContact CG2-CD1 3.96Å; I193-F195 HydrophobicContact CG2-CE1 4.31Å; F195-T197 HydrophobicContact CE2-CG2 4.5Å; F195-L206 HydrophobicContact CE2-CD1 4.36Å; F195-L206 HydrophobicContact CE2-CG 4.37Å; F195-L206 HydrophobicContact CZ-CD1 4.49Å; F195-L206 HydrophobicContact CZ-CG 4.01Å; F195-E209 HydrophobicContact CD1-CB 4.18Å; F195-E209 HydrophobicContact CD1-CG 4.28Å; F195-E209 HydrophobicContact CD2-CG 3.86Å; F195-E209 HydrophobicContact CE1-CB 4Å; F195-E209 HydrophobicContact CE1-CG 4.35Å; F195-E209 HydrophobicContact CE2-CB 4.38Å; F195-E209 HydrophobicContact CE2-CG 3.93Å; F195-E209 HydrophobicContact CG-CB 4.42Å; F195-E209 HydrophobicContact CG-CG 4.02Å; F195-E209 HydrophobicContact CZ-CB 4.07Å; F195-E209 HydrophobicContact CZ-CG 4.14Å |
| 196 | N | 96.3 | Very high | 93.1 | Very high | 110 Ų | 110 | 62.3 Ų | 62.3 | 59% | 0.588 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 131.3 | -179.9 | -67.8 | -30.1 | 0 | 0 | 0 | 109.9 | P164 M165 | P164-N196 HydrophobicContact CB-CB 4.08Å; P164-N196 HydrophobicContact CG-CB 4.24Å; M165-N196 WeakPolarHBondContact O-CA 3.33Å |
| 197 | T | 95.9 | Very high | 93.9 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 6% | 0.055 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | -179.6 | -177.2 | -159.9 | 0 | 0 | 0 | 0 | 111.9 | P164 M165 L167 F195 A201 L285 | P164-T197 CarbonylContact C-O 3.59Å; P164-T197 WeakPolarHBondContact CA-O 2.99Å; P164-T197 WeakPolarHBondContact CB-O 3.45Å; M165-T197 HydrophobicContact CE-CG2 4.09Å; M165-T197 HydrophobicContact CG-CG2 4.49Å; M165-T197 WeakPolarHBondContact CG-O 3.25Å; M165-T197 PolarHBondContact N-O 2.88Å; M165-T197 PolarHBondContact O-N 3.39Å; L167-T197 HydrophobicContact CB-CG2 3.86Å; L167-T197 HydrophobicContact CD2-CG2 4.28Å; L167-T197 HydrophobicContact CG-CG2 4.48Å; F195-T197 HydrophobicContact CE2-CG2 4.5Å; T197-A201 HydrophobicContact CG2-CB 4.32Å; T197-A201 WeakPolarHBondContact OG1-CB 3.29Å; T197-L285 HydrophobicContact CG2-CD1 4.34Å |
| 198 | W | 95.6 | Very high | 94.3 | Very high | 57 Ų | 57 | 44.9 Ų | 44.9 | 22% | 0.216 | 23% | 0.229 | C | C | . | . | trans | -115.1 | 163.2 | 177.6 | -65 | -94.3 | 0 | 0 | 0 | 111 | I157 R159 T162 P164 D200 A201 | I157-W198 HydrophobicContact CD1-CB 4.12Å; R159-W198 HydrophobicContact CB-CD2 4.07Å; R159-W198 HydrophobicContact CB-CE3 4.46Å; R159-W198 HydrophobicContact CB-CH2 4.18Å; R159-W198 HydrophobicContact CB-CZ2 3.74Å; R159-W198 HydrophobicContact CG-CD2 3.6Å; R159-W198 HydrophobicContact CG-CE3 3.91Å; R159-W198 HydrophobicContact CG-CG 3.91Å; R159-W198 HydrophobicContact CG-CH2 4.49Å; R159-W198 HydrophobicContact CG-CZ2 4.22Å; R159-W198 HydrophobicContact CG-CZ3 4.35Å; R159-W198 WeakPolarHBondContact O-CZ2 3.39Å; T162-W198 PolarHBondContact O-NE1 2.89Å; P164-W198 HydrophobicContact CB-CD2 4.4Å; P164-W198 HydrophobicContact CB-CZ2 4.17Å; W198-D200 WeakPolarHBondContact CB-OD1 3.26Å; W198-D200 PolarHBondContact O-N 3.31Å; W198-A201 WeakPolarHBondContact O-CB 3.4Å; W198-A201 PolarHBondContact O-N 2.75Å | ||
| 199 | I | 93.7 | Very high | 94.5 | Very high | 46 Ų | 46 | 46.5 Ų | 46.5 | 24% | 0.236 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -17.6 | -179.3 | -167.6 | 67.5 | 0 | 0 | 0 | 112.1 | I157 M165 A201 L285 L286 F290 | I157-I199 HydrophobicContact CD1-CB 4.13Å; I157-I199 HydrophobicContact CD1-CG2 3.2Å; I157-I199 HydrophobicContact CG1-CG2 4.32Å; M165-I199 HydrophobicContact CE-CB 4.26Å; M165-I199 HydrophobicContact CE-CD1 3.9Å; M165-I199 HydrophobicContact SD-CD1 4.46Å; I199-A201 VanDerWaalsContact C-N 3.3Å; I199-L285 HydrophobicContact CD1-CB 4.08Å; I199-L285 CarbonylContact O-C 3.51Å; I199-L285 WeakPolarHBondContact O-CB 3.44Å; I199-L286 HydrophobicContact CG1-CB 4.03Å; I199-L286 HydrophobicContact CG1-CD1 3.89Å; I199-L286 HydrophobicContact CG2-CD1 4.15Å; I199-L286 WeakPolarHBondContact O-CA 3.29Å; I199-L286 VanDerWaalsContact O-CB 3.24Å; I199-L286 WeakPolarHBondContact O-CB 3.34Å; I199-L286 PolarHBondContact O-N 3.47Å; I199-F290 HydrophobicContact CD1-CB 3.88Å; I199-F290 HydrophobicContact CD1-CD1 3.54Å; I199-F290 HydrophobicContact CD1-CG 4.18Å; I199-F290 WeakPolarHBondContact CD1-O 3.26Å |
| 200 | D | 93.9 | Very high | 94.7 | Very high | 21 Ų | 21 | 45.9 Ų | 45.9 | 11% | 0.112 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 3.1 | 173.6 | 71.7 | -4.8 | 0 | 0 | 0 | 114.2 | I157 R159 W198 T202 T284 | I157-D200 HydrophobicContact CB-CB 4.45Å; I157-D200 WeakPolarHBondContact CB-OD2 3.42Å; I157-D200 HydrophobicContact CD1-CB 3.63Å; I157-D200 VanDerWaalsContact CD1-N 3.26Å; I157-D200 HydrophobicContact CG1-CB 4.03Å; I157-D200 PolarHBondContact N-OD2 2.78Å; R159-D200 IonicContact CZ-OD1 3.23Å; R159-D200 IonicContact NE-OD1 2.98Å; R159-D200 PolarHBondContact NE-OD1 3.05Å; R159-D200 IonicContact NE-OD2 3Å; R159-D200 IonicContact NH2-OD1 3.81Å; R159-D200 PolarHBondContact NH2-OD1 2.77Å; W198-D200 WeakPolarHBondContact CB-OD1 3.26Å; W198-D200 PolarHBondContact O-N 3.31Å; D200-T202 PolarHBondContact O-N 2.84Å; D200-T284 WeakPolarHBondContact O-CG2 3.49Å |
| 201 | A | 94.9 | Very high | 95 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -61.4 | 136.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T197 W198 I199 E205 L206 T284 L285 | T197-A201 HydrophobicContact CG2-CB 4.32Å; T197-A201 WeakPolarHBondContact OG1-CB 3.29Å; W198-A201 WeakPolarHBondContact O-CB 3.4Å; W198-A201 PolarHBondContact O-N 2.75Å; I199-A201 VanDerWaalsContact C-N 3.3Å; A201-E205 WeakPolarHBondContact CA-OE2 3.31Å; A201-E205 WeakPolarHBondContact CB-OE2 3.47Å; A201-L206 HydrophobicContact CB-CD1 4.02Å; A201-T284 CarbonylContact O-C 3.5Å; A201-T284 VanDerWaalsContact O-CA 3.24Å; A201-T284 WeakPolarHBondContact O-CA 3.33Å; A201-L285 HydrophobicContact CB-CD1 4.23Å; A201-L285 PolarHBondContact O-N 3.01Å | ||
| 202 | T | 95.3 | Very high | 95 | Very high | 35 Ų | 35 | 42.9 Ų | 42.9 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -87.6 | 158.3 | -176.6 | 63 | 0 | 0 | 0 | 0 | 111.7 | D200 A204 E205 L206 V283 T284 | D200-T202 PolarHBondContact O-N 2.84Å; T202-A204 PolarHBondContact O-N 3.03Å; T202-E205 PolarHBondContact N-OE2 3.01Å; T202-E205 PolarHBondContact O-N 3.21Å; T202-E205 VanDerWaalsContact O-N 3.15Å; T202-E205 WeakPolarHBondContact OG1-CG 3.49Å; T202-E205 PolarHBondContact OG1-N 3.44Å; T202-L206 VanDerWaalsContact O-CD1 3.31Å; T202-L206 WeakPolarHBondContact O-CD1 3.39Å; T202-L206 PolarHBondContact O-N 2.87Å; T202-L206 VanDerWaalsContact O-N 3.13Å; T202-V283 CarbonylContact C-O 3.54Å; T202-V283 WeakPolarHBondContact CA-O 3.42Å; T202-T284 HydrophobicContact CG2-CG2 3.91Å |
| 203 | L | 95.1 | Very high | 95 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.8 | -29.1 | 172 | -77 | -171.7 | 0 | 0 | 0 | 112.9 | L206 A207 F226 L242 V245 D280 S281 V283 | L203-L206 HydrophobicContact CD2-CD2 4.24Å; L203-L206 PolarHBondContact O-N 3.45Å; L203-A207 VanDerWaalsContact O-CB 3.25Å; L203-A207 WeakPolarHBondContact O-CB 3.3Å; L203-A207 PolarHBondContact O-N 3Å; L203-F226 HydrophobicContact CD1-CD2 4.35Å; L203-F226 HydrophobicContact CD2-CB 3.76Å; L203-F226 HydrophobicContact CD2-CD1 4.14Å; L203-F226 HydrophobicContact CD2-CD2 3.77Å; L203-F226 HydrophobicContact CD2-CE2 4.37Å; L203-F226 HydrophobicContact CD2-CG 3.63Å; L203-L242 HydrophobicContact CD1-CG 4.13Å; L203-L242 HydrophobicContact CD2-CD2 3.33Å; L203-L242 HydrophobicContact CD2-CG 3.64Å; L203-L242 HydrophobicContact CG-CD2 4.3Å; L203-L242 HydrophobicContact CG-CG 4.17Å; L203-V245 HydrophobicContact CB-CG2 3.5Å; L203-V245 HydrophobicContact CD1-CG2 4.26Å; L203-V245 HydrophobicContact CG-CG2 4.46Å; L203-D280 HydrophobicContact CD1-CB 4.05Å; L203-S281 PolarHBondContact N-O 3.19Å; L203-V283 HydrophobicContact CD1-CB 4.09Å; L203-V283 HydrophobicContact CD1-CG1 4.45Å; L203-V283 HydrophobicContact CG-CB 4.27Å; L203-V283 PolarHBondContact N-O 3.45Å |
| 204 | A | 93.8 | Very high | 94.8 | Very high | 31 Ų | 31 | 43.8 Ų | 43.8 | 26% | 0.256 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.4 | -46 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | T202 A207 D208 S281 | T202-A204 PolarHBondContact O-N 3.03Å; A204-A207 WeakPolarHBondContact O-CB 3.18Å; A204-A207 PolarHBondContact O-N 2.87Å; A204-D208 PolarHBondContact O-N 2.92Å; A204-S281 PolarHBondContact N-O 3.43Å; A204-S281 VanDerWaalsContact N-O 3.09Å |
| 205 | E | 94.8 | Very high | 94.6 | Very high | 66 Ų | 66 | 42.1 Ų | 42.1 | 31% | 0.308 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.2 | -44 | 176.2 | -69.4 | 175.6 | 155.9 | 0 | 0 | 111.1 | R159 A201 T202 A207 D208 E209 | R159-E205 IonicContact CZ-OE1 2.75Å; R159-E205 IonicContact CZ-OE2 3.72Å; R159-E205 IonicContact NH1-OE1 2.87Å; R159-E205 PolarHBondContact NH1-OE1 2.87Å; R159-E205 IonicContact NH1-OE2 3.16Å; R159-E205 IonicContact NH2-OE1 4Å; R159-E205 PolarHBondContact NH2-OE1 2.93Å; R159-E205 VanDerWaalsContact NH2-OE1 3.16Å; R159-E205 IonicContact NH2-OE2 3.41Å; R159-E205 PolarHBondContact NH2-OE2 2.77Å; A201-E205 WeakPolarHBondContact CA-OE2 3.31Å; A201-E205 WeakPolarHBondContact CB-OE2 3.47Å; T202-E205 PolarHBondContact N-OE2 3.01Å; T202-E205 PolarHBondContact O-N 3.21Å; T202-E205 VanDerWaalsContact O-N 3.15Å; T202-E205 WeakPolarHBondContact OG1-CG 3.49Å; T202-E205 PolarHBondContact OG1-N 3.44Å; E205-A207 VanDerWaalsContact C-N 3.3Å; E205-A207 PolarHBondContact O-N 3.07Å; E205-D208 PolarHBondContact O-N 2.98Å; E205-E209 PolarHBondContact O-N 2.85Å |
| 206 | L | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.4 | -39.2 | 175 | -88 | 62.9 | 0 | 0 | 0 | 111.9 | L167 F195 A201 T202 L203 E209 V210 F226 L285 V296 | L167-L206 HydrophobicContact CD2-CD1 4.35Å; L167-L206 HydrophobicContact CD2-CD2 4.08Å; L167-L206 HydrophobicContact CD2-CG 4.1Å; F195-L206 HydrophobicContact CE2-CD1 4.36Å; F195-L206 HydrophobicContact CE2-CG 4.37Å; F195-L206 HydrophobicContact CZ-CD1 4.49Å; F195-L206 HydrophobicContact CZ-CG 4.01Å; A201-L206 HydrophobicContact CB-CD1 4.02Å; T202-L206 VanDerWaalsContact O-CD1 3.31Å; T202-L206 WeakPolarHBondContact O-CD1 3.39Å; T202-L206 PolarHBondContact O-N 2.87Å; T202-L206 VanDerWaalsContact O-N 3.13Å; L203-L206 HydrophobicContact CD2-CD2 4.24Å; L203-L206 PolarHBondContact O-N 3.45Å; L206-E209 PolarHBondContact O-N 2.83Å; L206-V210 WeakPolarHBondContact O-CG2 3.24Å; L206-V210 PolarHBondContact O-N 2.86Å; L206-F226 HydrophobicContact CB-CE1 3.95Å; L206-F226 HydrophobicContact CB-CZ 4.24Å; L206-F226 HydrophobicContact CD2-CD1 4.44Å; L206-F226 HydrophobicContact CD2-CE1 4.46Å; L206-L285 HydrophobicContact CD1-CD1 4.39Å; L206-L285 HydrophobicContact CD2-CD2 4.04Å; L206-V296 HydrophobicContact CD2-CG1 4.31Å |
| 207 | A | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.9 | -36.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L203 A204 E205 V210 R211 M224 F226 V245 | L203-A207 VanDerWaalsContact O-CB 3.25Å; L203-A207 WeakPolarHBondContact O-CB 3.3Å; L203-A207 PolarHBondContact O-N 3Å; A204-A207 WeakPolarHBondContact O-CB 3.18Å; A204-A207 PolarHBondContact O-N 2.87Å; E205-A207 VanDerWaalsContact C-N 3.3Å; E205-A207 PolarHBondContact O-N 3.07Å; A207-V210 PolarHBondContact O-N 3.23Å; A207-R211 VanDerWaalsContact O-CG 3.22Å; A207-R211 WeakPolarHBondContact O-CG 3.2Å; A207-R211 PolarHBondContact O-N 3.12Å; A207-M224 HydrophobicContact CB-CE 3.55Å; A207-M224 HydrophobicContact CB-SD 4.15Å; A207-F226 HydrophobicContact CB-CE2 4.39Å; A207-F226 HydrophobicContact CB-CZ 4.12Å; A207-V245 HydrophobicContact CB-CB 4.16Å; A207-V245 HydrophobicContact CB-CG1 3.69Å; A207-V245 HydrophobicContact CB-CG2 4.47Å |
| 208 | D | 94.5 | Very high | 93.9 | Very high | 74 Ų | 74 | 45.7 Ų | 45.7 | 40% | 0.396 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.4 | -41.3 | 175.8 | -77.2 | -29.5 | 0 | 0 | 0 | 112.1 | A204 E205 V210 R211 N212 | A204-D208 PolarHBondContact O-N 2.92Å; E205-D208 PolarHBondContact O-N 2.98Å; D208-V210 VanDerWaalsContact C-N 3.35Å; D208-V210 PolarHBondContact O-N 2.77Å; D208-R211 WeakPolarHBondContact O-CB 3.42Å; D208-R211 PolarHBondContact O-N 3.43Å; D208-R211 IonicContact OD1-CZ 2.73Å; D208-R211 IonicContact OD1-NH1 3.96Å; D208-R211 PolarHBondContact OD1-NH1 3.01Å; D208-N212 VanDerWaalsContact O-CG 3.22Å; D208-N212 PolarHBondContact O-N 3.04Å; D208-N212 PolarHBondContact O-ND2 3.19Å |
| 209 | E | 95 | Very high | 93.6 | Very high | 74 Ų | 74 | 49.3 Ų | 49.3 | 35% | 0.346 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.3 | -42.8 | 173.2 | -67.3 | -56.5 | 149.3 | 0 | 0 | 112.1 | F195 E205 L206 R211 N212 V213 | F195-E209 HydrophobicContact CD1-CB 4.18Å; F195-E209 HydrophobicContact CD1-CG 4.28Å; F195-E209 HydrophobicContact CD2-CG 3.86Å; F195-E209 HydrophobicContact CE1-CB 4Å; F195-E209 HydrophobicContact CE1-CG 4.35Å; F195-E209 HydrophobicContact CE2-CB 4.38Å; F195-E209 HydrophobicContact CE2-CG 3.93Å; F195-E209 HydrophobicContact CG-CB 4.42Å; F195-E209 HydrophobicContact CG-CG 4.02Å; F195-E209 HydrophobicContact CZ-CB 4.07Å; F195-E209 HydrophobicContact CZ-CG 4.14Å; E205-E209 PolarHBondContact O-N 2.85Å; L206-E209 PolarHBondContact O-N 2.83Å; E209-R211 VanDerWaalsContact C-N 3.34Å; E209-R211 PolarHBondContact O-N 2.71Å; E209-N212 PolarHBondContact O-N 3Å; E209-V213 PolarHBondContact O-N 3.42Å |
| 210 | V | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 175.7 | 175.2 | 0 | 0 | 0 | 0 | 111.7 | L169 I193 L206 A207 D208 N212 V213 V214 A217 M224 I300 | L169-V210 HydrophobicContact CD1-CG2 3.93Å; L169-V210 HydrophobicContact CD2-CG2 3.78Å; I193-V210 HydrophobicContact CD1-CG2 4.43Å; L206-V210 WeakPolarHBondContact O-CG2 3.24Å; L206-V210 PolarHBondContact O-N 2.86Å; A207-V210 PolarHBondContact O-N 3.23Å; D208-V210 VanDerWaalsContact C-N 3.35Å; D208-V210 PolarHBondContact O-N 2.77Å; V210-N212 VanDerWaalsContact C-N 3.32Å; V210-N212 PolarHBondContact O-N 3.31Å; V210-V213 PolarHBondContact O-N 2.87Å; V210-V214 WeakPolarHBondContact O-CB 3.18Å; V210-V214 PolarHBondContact O-N 2.94Å; V210-A217 HydrophobicContact CG1-CB 4.01Å; V210-M224 HydrophobicContact CB-SD 4.26Å; V210-M224 HydrophobicContact CG1-SD 4Å; V210-I300 HydrophobicContact CG1-CD1 3.84Å; V210-I300 HydrophobicContact CG1-CG1 4.4Å |
| 211 | R | 94.3 | Very high | 93.1 | Very high | 53 Ų | 53 | 54.8 Ų | 54.8 | 20% | 0.2 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.7 | -31.9 | 177 | -73 | 168.3 | -161.7 | 157.9 | 7.3 | 112.9 | A207 D208 E209 A217 R218 T247 | A207-R211 VanDerWaalsContact O-CG 3.22Å; A207-R211 WeakPolarHBondContact O-CG 3.2Å; A207-R211 PolarHBondContact O-N 3.12Å; D208-R211 WeakPolarHBondContact O-CB 3.42Å; D208-R211 PolarHBondContact O-N 3.43Å; D208-R211 IonicContact OD1-CZ 2.73Å; D208-R211 IonicContact OD1-NH1 3.96Å; D208-R211 PolarHBondContact OD1-NH1 3.01Å; E209-R211 VanDerWaalsContact C-N 3.34Å; E209-R211 PolarHBondContact O-N 2.71Å; R211-A217 HydrophobicContact CG-CB 4.25Å; R211-R218 HydrophobicContact CB-CG 3.92Å; R211-R218 HydrophobicContact CG-CG 4.32Å; R211-R218 WeakPolarHBondContact O-CD 3.33Å; R211-R218 WeakPolarHBondContact O-CG 3.33Å; R211-T247 PolarHBondContact NE-OG1 2.71Å |
| 212 | N | 94.3 | Very high | 92.9 | Very high | 124 Ų | 124 | 54.8 Ų | 54.8 | 66% | 0.663 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -68.4 | -36.9 | 177.4 | -70.6 | -24.5 | 0 | 0 | 0 | 111.6 | D208 E209 V210 | D208-N212 VanDerWaalsContact O-CG 3.22Å; D208-N212 PolarHBondContact O-N 3.04Å; D208-N212 PolarHBondContact O-ND2 3.19Å; E209-N212 PolarHBondContact O-N 3Å; V210-N212 VanDerWaalsContact C-N 3.32Å; V210-N212 PolarHBondContact O-N 3.31Å |
| 213 | V | 94.1 | Very high | 92.7 | Very high | 75 Ų | 75 | 56.5 Ų | 56.5 | 46% | 0.455 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -88.1 | -45.6 | -178.9 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | I193 E209 V210 P215 | I193-V213 HydrophobicContact CD1-CB 3.77Å; I193-V213 HydrophobicContact CD1-CG1 3.91Å; I193-V213 HydrophobicContact CD1-CG2 4.01Å; I193-V213 HydrophobicContact CG1-CB 4.32Å; I193-V213 HydrophobicContact CG1-CG1 4.08Å; I193-V213 HydrophobicContact CG1-CG2 4.26Å; I193-V213 HydrophobicContact CG2-CG2 4.02Å; E209-V213 PolarHBondContact O-N 3.42Å; V210-V213 PolarHBondContact O-N 2.87Å; V213-P215 WeakPolarHBondContact O-CD 3.4Å |
| 214 | V | 92.6 | Very high | 92.7 | Very high | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | trans | -105.1 | 109 | -172.1 | -175.5 | 0 | 0 | 0 | 0 | 110.5 | Y171 V210 I216 A217 I300 | Y171-V214 HydrophobicContact CD1-CG2 4.43Å; Y171-V214 HydrophobicContact CD2-CG2 3.7Å; Y171-V214 HydrophobicContact CE1-CG2 4.26Å; Y171-V214 HydrophobicContact CE2-CG2 3.5Å; Y171-V214 VanDerWaalsContact CE2-CG2 3.5Å; Y171-V214 HydrophobicContact CG-CG2 4.16Å; V210-V214 WeakPolarHBondContact O-CB 3.18Å; V210-V214 PolarHBondContact O-N 2.94Å; V214-I216 HydrophobicContact CG1-CB 4.12Å; V214-I216 PolarHBondContact O-N 2.82Å; V214-A217 HydrophobicContact CB-CB 4.33Å; V214-A217 WeakPolarHBondContact O-CB 3.24Å; V214-A217 PolarHBondContact O-N 2.94Å; V214-A217 VanDerWaalsContact O-N 3.1Å; V214-I300 HydrophobicContact CB-CD1 4.15Å; V214-I300 HydrophobicContact CG1-CD1 3.86Å; V214-I300 HydrophobicContact CG2-CD1 4.18Å | ||
| 215 | P | 91.7 | Very high | 92.7 | Very high | 79 Ų | 79 | 57 Ų | 57 | 51% | 0.513 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -64.9 | -26.3 | -176.6 | 25.2 | -34.3 | 0 | 0 | 0 | 113.5 | V213 A217 R218 | V213-P215 WeakPolarHBondContact O-CD 3.4Å; P215-A217 VanDerWaalsContact C-N 3.29Å; P215-A217 PolarHBondContact O-N 2.91Å; P215-R218 WeakPolarHBondContact O-CB 3.5Å; P215-R218 PolarHBondContact O-N 2.85Å |
| 216 | I | 89.7 | Confident | 92.8 | Very high | 54 Ų | 54 | 53.8 Ų | 53.8 | 28% | 0.277 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -63.6 | -36 | 176.9 | -61.6 | 168.3 | 0 | 0 | 0 | 110.8 | T173 V214 R218 R219 T222 I300 E302 | T173-I216 HydrophobicContact CG2-CD1 4.25Å; V214-I216 HydrophobicContact CG1-CB 4.12Å; V214-I216 PolarHBondContact O-N 2.82Å; I216-R218 PolarHBondContact O-N 2.75Å; I216-R218 VanDerWaalsContact O-N 3.17Å; I216-R219 PolarHBondContact O-N 3.48Å; I216-T222 PolarHBondContact O-OG1 2.69Å; I216-I300 HydrophobicContact CG2-CG2 4.47Å; I216-E302 HydrophobicContact CG2-CB 4.02Å; I216-E302 HydrophobicContact CG2-CG 4.09Å; I216-E302 WeakPolarHBondContact CG2-OE2 3.37Å |
| 217 | A | 91.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -65.7 | -18 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V210 R211 V214 P215 M224 T247 I300 | V210-A217 HydrophobicContact CG1-CB 4.01Å; R211-A217 HydrophobicContact CG-CB 4.25Å; V214-A217 HydrophobicContact CB-CB 4.33Å; V214-A217 WeakPolarHBondContact O-CB 3.24Å; V214-A217 PolarHBondContact O-N 2.94Å; V214-A217 VanDerWaalsContact O-N 3.1Å; P215-A217 VanDerWaalsContact C-N 3.29Å; P215-A217 PolarHBondContact O-N 2.91Å; A217-M224 HydrophobicContact CB-SD 4.06Å; A217-T247 WeakPolarHBondContact O-CB 3.36Å; A217-T247 WeakPolarHBondContact O-CG2 3.45Å; A217-T247 PolarHBondContact O-OG1 3.39Å; A217-I300 HydrophobicContact CB-CD1 4.4Å; A217-I300 HydrophobicContact CB-CG2 4.42Å |
| 218 | R | 91.3 | Very high | 92.9 | Very high | 163 Ų | 163 | 53.9 Ų | 53.9 | 62% | 0.615 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -78.8 | -16.2 | 178.3 | -65.4 | -172.6 | -69 | 162.7 | -4.8 | 113.7 | R211 P215 I216 R220 | R211-R218 HydrophobicContact CB-CG 3.92Å; R211-R218 HydrophobicContact CG-CG 4.32Å; R211-R218 WeakPolarHBondContact O-CD 3.33Å; R211-R218 WeakPolarHBondContact O-CG 3.33Å; P215-R218 WeakPolarHBondContact O-CB 3.5Å; P215-R218 PolarHBondContact O-N 2.85Å; I216-R218 PolarHBondContact O-N 2.75Å; I216-R218 VanDerWaalsContact O-N 3.17Å; R218-R220 PolarHBondContact O-N 2.88Å |
| 219 | R | 89.3 | Confident | 92.9 | Very high | 132 Ų | 132 | 50.4 Ų | 50.4 | 50% | 0.498 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -65.2 | 133.1 | -178.8 | -68.2 | -179.8 | 172.4 | 160.4 | 2 | 109.8 | I216 G221 T222 E302 | I216-R219 PolarHBondContact O-N 3.48Å; R219-G221 PolarHBondContact O-N 2.77Å; R219-T222 WeakPolarHBondContact CB-OG1 3.23Å; R219-T222 VanDerWaalsContact O-CB 3.25Å; R219-T222 WeakPolarHBondContact O-CB 3.42Å; R219-T222 PolarHBondContact O-N 2.8Å; R219-T222 VanDerWaalsContact O-N 3.12Å; R219-T222 PolarHBondContact O-OG1 3.25Å; R219-E302 WeakPolarHBondContact CD-OE1 3.42Å; R219-E302 IonicContact CZ-OE1 3.45Å; R219-E302 IonicContact CZ-OE2 3.55Å; R219-E302 IonicContact NE-OE1 3.62Å; R219-E302 IonicContact NH1-OE1 2.65Å; R219-E302 PolarHBondContact NH1-OE1 2.93Å; R219-E302 IonicContact NH1-OE2 2.62Å; R219-E302 PolarHBondContact NH1-OE2 3.17Å |
| 220 | R | 89 | Confident | 92.9 | Very high | 181 Ų | 181 | 50.1 Ų | 50.1 | 68% | 0.683 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 130.5 | 177 | -178 | 175.6 | -175.5 | -162.6 | -1.6 | 109.9 | R218 G248 | R218-R220 PolarHBondContact O-N 2.88Å; R220-G248 PolarHBondContact NE-O 3.08Å |
| 221 | G | 87.3 | Confident | 92.8 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | -11.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R219 R223 T247 Y303 | R219-G221 PolarHBondContact O-N 2.77Å; G221-R223 PolarHBondContact O-N 3.19Å; G221-T247 PolarHBondContact N-O 3.12Å; G221-Y303 VanDerWaalsContact C-CB 3.42Å; G221-Y303 VanDerWaalsContact O-CB 3.28Å; G221-Y303 WeakPolarHBondContact O-CB 3.48Å |
| 222 | T | 90.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -62.9 | 128.6 | 178.9 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | I216 R219 I246 T247 I300 V301 | I216-T222 PolarHBondContact O-OG1 2.69Å; R219-T222 WeakPolarHBondContact CB-OG1 3.23Å; R219-T222 VanDerWaalsContact O-CB 3.25Å; R219-T222 WeakPolarHBondContact O-CB 3.42Å; R219-T222 PolarHBondContact O-N 2.8Å; R219-T222 VanDerWaalsContact O-N 3.12Å; R219-T222 PolarHBondContact O-OG1 3.25Å; T222-I246 WeakPolarHBondContact O-CA 2.95Å; T222-T247 PolarHBondContact O-N 3Å; T222-I300 HydrophobicContact CG2-CG2 3.63Å; T222-V301 WeakPolarHBondContact CA-O 3.4Å; T222-V301 WeakPolarHBondContact CG2-O 3.12Å | ||
| 223 | R | 91.8 | Very high | 92.2 | Very high | 71 Ų | 71 | 53.5 Ų | 53.5 | 27% | 0.268 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 129.5 | 178.1 | -47.3 | -162.1 | -169.9 | 158.6 | -13.6 | 109.6 | G221 V244 I246 L277 V301 W311 | G221-R223 PolarHBondContact O-N 3.19Å; R223-V244 HydrophobicContact CB-CG1 4.13Å; R223-I246 HydrophobicContact CB-CG1 4.21Å; R223-I246 HydrophobicContact CG-CD1 4.18Å; R223-I246 HydrophobicContact CG-CG1 3.95Å; R223-I246 HydrophobicContact CG-CG2 4.2Å; R223-L277 VanDerWaalsContact NH2-CD1 3.33Å; R223-V301 PolarHBondContact N-O 3.12Å; R223-V301 PolarHBondContact O-N 3.38Å; R223-W311 HydrophobicContact CB-CH2 3.99Å; R223-W311 HydrophobicContact CB-CZ3 4.47Å; R223-W311 VanDerWaalsContact CD-CH2 3.48Å; R223-W311 HydrophobicContact CG-CH2 3.83Å; R223-W311 HydrophobicContact CG-CZ3 4.4Å |
| 224 | M | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 108.7 | 176.5 | -69.7 | 169.8 | -70.6 | 0 | 0 | 107.6 | A207 V210 A217 F226 V244 V245 T247 I300 | A207-M224 HydrophobicContact CB-CE 3.55Å; A207-M224 HydrophobicContact CB-SD 4.15Å; V210-M224 HydrophobicContact CB-SD 4.26Å; V210-M224 HydrophobicContact CG1-SD 4Å; A217-M224 HydrophobicContact CB-SD 4.06Å; M224-F226 HydrophobicContact CB-CD2 4.38Å; M224-F226 HydrophobicContact CB-CE2 3.67Å; M224-F226 HydrophobicContact CB-CZ 4.08Å; M224-F226 WeakPolarHBondContact O-CD2 3.37Å; M224-V244 WeakPolarHBondContact O-CA 3.1Å; M224-V245 HydrophobicContact CE-CB 4.32Å; M224-V245 HydrophobicContact CE-CG1 4.12Å; M224-V245 PolarHBondContact N-O 3.16Å; M224-V245 PolarHBondContact O-N 3.36Å; M224-T247 VanDerWaalsContact CE-OG1 3.26Å; M224-T247 WeakPolarHBondContact CE-OG1 3.34Å; M224-I300 HydrophobicContact CG-CG1 4.4Å |
| 225 | H | 94.8 | Very high | 91.3 | Very high | 42 Ų | 42 | 62.6 Ų | 62.6 | 19% | 0.194 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 121.3 | 175.8 | -64.8 | -101.2 | 0 | 0 | 0 | 108.4 | H177 V244 C298 A299 W311 | H177-H225 PolarHBondContact CE1-O 3.42Å; H225-V244 WeakPolarHBondContact ND1-CG2 3.4Å; H225-C298 CarbonylContact O-C 3.56Å; H225-C298 VanDerWaalsContact O-CA 3.3Å; H225-C298 WeakPolarHBondContact O-CA 3.28Å; H225-A299 HydrophobicContact CB-CB 4.25Å; H225-A299 PolarHBondContact N-O 3.3Å; H225-A299 PolarHBondContact O-N 3.27Å; H225-W311 AromaticContact NE2-CH2 3.99Å; H225-W311 AromaticContact NE2-CZ3 3.42Å; H225-W311 WeakPolarHBondContact NE2-CZ3 3.32Å |
| 226 | F | 96.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 137.2 | 179.6 | -68 | -89 | 0 | 0 | 0 | 110.9 | L169 L203 L206 A207 M224 Q241 L242 G243 V245 V296 D297 C298 | L169-F226 HydrophobicContact CD1-CD1 4.44Å; L169-F226 HydrophobicContact CD1-CE1 3.99Å; L203-F226 HydrophobicContact CD1-CD2 4.35Å; L203-F226 HydrophobicContact CD2-CB 3.76Å; L203-F226 HydrophobicContact CD2-CD1 4.14Å; L203-F226 HydrophobicContact CD2-CD2 3.77Å; L203-F226 HydrophobicContact CD2-CE2 4.37Å; L203-F226 HydrophobicContact CD2-CG 3.63Å; L206-F226 HydrophobicContact CB-CE1 3.95Å; L206-F226 HydrophobicContact CB-CZ 4.24Å; L206-F226 HydrophobicContact CD2-CD1 4.44Å; L206-F226 HydrophobicContact CD2-CE1 4.46Å; A207-F226 HydrophobicContact CB-CE2 4.39Å; A207-F226 HydrophobicContact CB-CZ 4.12Å; M224-F226 HydrophobicContact CB-CD2 4.38Å; M224-F226 HydrophobicContact CB-CE2 3.67Å; M224-F226 HydrophobicContact CB-CZ 4.08Å; M224-F226 WeakPolarHBondContact O-CD2 3.37Å; F226-Q241 PolarHBondContact O-NE2 3.17Å; F226-L242 HydrophobicContact CB-CB 3.92Å; F226-L242 HydrophobicContact CB-CD2 4.16Å; F226-L242 HydrophobicContact CB-CG 4.34Å; F226-L242 WeakPolarHBondContact O-CA 3.18Å; F226-L242 VanDerWaalsContact O-CB 3.29Å; F226-L242 WeakPolarHBondContact O-CB 3.2Å; F226-L242 PolarHBondContact O-N 3.47Å; F226-G243 PolarHBondContact N-O 2.84Å; F226-G243 PolarHBondContact O-N 3.29Å; F226-V245 HydrophobicContact CD2-CG2 4.17Å; F226-V245 HydrophobicContact CE2-CB 3.97Å; F226-V245 HydrophobicContact CE2-CG2 3.76Å; F226-V296 HydrophobicContact CD1-CG1 4.07Å; F226-D297 CarbonylContact C-O 3.57Å; F226-D297 WeakPolarHBondContact CA-O 3.4Å; F226-C298 HydrophobicContact CD1-CB 4.2Å; F226-C298 HydrophobicContact CE1-CB 4.16Å |
| 227 | A | 96.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 150.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | R239 R240 V296 D297 | A227-R239 HydrophobicContact CB-CG 3.77Å; A227-R240 CarbonylContact C-O 3.53Å; A227-R240 VanDerWaalsContact CA-O 3.3Å; A227-R240 WeakPolarHBondContact CA-O 3.2Å; A227-V296 CarbonylContact O-C 3.54Å; A227-V296 WeakPolarHBondContact O-CA 3.44Å; A227-D297 PolarHBondContact N-O 3.21Å; A227-D297 PolarHBondContact O-N 2.65Å |
| 228 | I | 96.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 130.7 | 171.9 | -60.2 | 171 | 0 | 0 | 0 | 107.7 | R239 R240 L242 K288 F290 D294 Y295 | I228-R239 CarbonylContact O-C 3.59Å; I228-R239 WeakPolarHBondContact O-CA 3.44Å; I228-R240 PolarHBondContact N-O 3.26Å; I228-R240 PolarHBondContact O-N 2.8Å; I228-L242 HydrophobicContact CD1-CD1 4.13Å; I228-L242 HydrophobicContact CG1-CD2 4.29Å; I228-K288 HydrophobicContact CD1-CB 4.17Å; I228-F290 HydrophobicContact CD1-CB 4.03Å; I228-F290 HydrophobicContact CD1-CD2 4.12Å; I228-F290 HydrophobicContact CG1-CD2 4.22Å; I228-F290 HydrophobicContact CG2-CD2 4.11Å; I228-D294 HydrophobicContact CG2-CB 3.86Å; I228-Y295 CarbonylContact C-O 3.56Å; I228-Y295 WeakPolarHBondContact CA-O 3.22Å |
| 229 | V | 95.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 118.5 | 173.3 | 177 | 0 | 0 | 0 | 0 | 108 | L180 Y183 Y237 G238 R239 Y295 D297 | L180-V229 HydrophobicContact CD2-CG1 4.28Å; Y183-V229 HydrophobicContact CD1-CG1 4.22Å; Y183-V229 HydrophobicContact CD2-CG1 3.94Å; Y183-V229 HydrophobicContact CE1-CG1 4.4Å; Y183-V229 HydrophobicContact CE2-CG1 4.12Å; Y183-V229 HydrophobicContact CE2-CG2 4.09Å; Y183-V229 HydrophobicContact CG-CG1 3.98Å; V229-Y237 HydrophobicContact CG1-CD1 3.78Å; V229-Y237 HydrophobicContact CG1-CG 4.27Å; V229-G238 WeakPolarHBondContact CA-O 3.31Å; V229-R239 HydrophobicContact CG2-CG 4.39Å; V229-Y295 HydrophobicContact CG1-CD2 4.46Å; V229-Y295 PolarHBondContact N-O 2.91Å; V229-Y295 PolarHBondContact O-N 3.25Å; V229-D297 HydrophobicContact CG2-CB 4.05Å |
| 230 | Y | 94.1 | Very high | 91.8 | Very high | 68 Ų | 68 | 58.1 Ų | 58.1 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 146.2 | -174.4 | 59.8 | -88.6 | 0 | 0 | 0 | 110.3 | D232 Y237 G238 R240 D294 | Y230-D232 PolarHBondContact O-N 2.79Å; Y230-Y237 WeakPolarHBondContact O-CA 3.35Å; Y230-G238 PolarHBondContact N-O 3.32Å; Y230-G238 PolarHBondContact O-N 3.15Å; Y230-R240 HydrophobicContact CE1-CB 4.09Å; Y230-D294 VanDerWaalsContact CB-OD1 3.25Å; Y230-D294 WeakPolarHBondContact CB-OD1 3.39Å |
| 231 | P | 92.5 | Very high | 92 | Very high | 74 Ų | 74 | 53.7 Ų | 53.7 | 48% | 0.481 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 125.1 | 172.2 | 29.6 | -32.8 | 0 | 0 | 0 | 109.7 | Y237 | P231-Y237 HydrophobicContact CB-CD1 4.45Å; P231-Y237 HydrophobicContact CB-CE1 4.11Å |
| 232 | D | 89.1 | Confident | 92.3 | Very high | 57 Ų | 57 | 53.7 Ų | 53.7 | 31% | 0.305 | 27% | 0.273 | S | S | . | . | trans | -79.6 | 152 | 169.9 | -172.7 | 15.4 | 0 | 0 | 0 | 110.2 | Y230 R234 G235 T236 | Y230-D232 PolarHBondContact O-N 2.79Å; D232-R234 PolarHBondContact O-N 3.2Å; D232-G235 PolarHBondContact O-N 2.88Å; D232-T236 WeakPolarHBondContact CA-O 3.06Å; D232-T236 WeakPolarHBondContact CB-O 3.46Å; D232-T236 PolarHBondContact N-O 3.13Å | ||
| 233 | S | 87.1 | Confident | 92.5 | Very high | 118 Ų | 118 | 53.9 Ų | 53.9 | 83% | 0.825 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -25.2 | 172.3 | 58.9 | 0 | 0 | 0 | 0 | 114.1 | G235 | S233-G235 VanDerWaalsContact C-N 3.25Å; S233-G235 PolarHBondContact O-N 3.4Å |
| 234 | R | 85.8 | Confident | 92.5 | Very high | 207 Ų | 207 | 51.6 Ų | 51.6 | 78% | 0.781 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -0.7 | 179 | -57.1 | -179.6 | 69 | -178.6 | 1.3 | 113.9 | D232 T236 | D232-R234 PolarHBondContact O-N 3.2Å; R234-T236 VanDerWaalsContact C-N 3.27Å; R234-T236 PolarHBondContact O-N 3.46Å |
| 235 | G | 83.5 | Confident | 92.5 | Very high | 65 Ų | 65 | 51.6 Ų | 51.6 | 67% | 0.67 | 27% | 0.269 | S | S | * | . | S | Bend | trans | 79.8 | 5.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D232 S233 | D232-G235 PolarHBondContact O-N 2.88Å; S233-G235 VanDerWaalsContact C-N 3.25Å; S233-G235 PolarHBondContact O-N 3.4Å |
| 236 | T | 88.2 | Confident | 92.3 | Very high | 67 Ų | 67 | 49.9 Ų | 49.9 | 41% | 0.411 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -98.4 | 159 | 172.2 | 52.9 | 0 | 0 | 0 | 0 | 110.4 | D232 R234 | D232-T236 WeakPolarHBondContact CA-O 3.06Å; D232-T236 WeakPolarHBondContact CB-O 3.46Å; D232-T236 PolarHBondContact N-O 3.13Å; R234-T236 VanDerWaalsContact C-N 3.27Å; R234-T236 PolarHBondContact O-N 3.46Å |
| 237 | Y | 92.6 | Very high | 92 | Very high | 48 Ų | 48 | 50.3 Ų | 50.3 | 19% | 0.188 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 139.1 | 170.1 | -74.7 | -92 | 0 | 0 | 0 | 111.4 | L180 Y183 V229 Y230 P231 Y295 | L180-Y237 WeakPolarHBondContact CD1-O 3.47Å; Y183-Y237 WeakPolarHBondContact O-CE2 3.39Å; V229-Y237 HydrophobicContact CG1-CD1 3.78Å; V229-Y237 HydrophobicContact CG1-CG 4.27Å; Y230-Y237 WeakPolarHBondContact O-CA 3.35Å; P231-Y237 HydrophobicContact CB-CD1 4.45Å; P231-Y237 HydrophobicContact CB-CE1 4.11Å; Y237-Y295 HydrophobicContact CE1-CD2 4.12Å; Y237-Y295 AromaticContact CE1-CE2 3.67Å; Y237-Y295 HydrophobicContact CE1-CE2 3.67Å |
| 238 | G | 93.4 | Very high | 91.4 | Very high | 13 Ų | 13 | 52.4 Ų | 52.4 | 13% | 0.134 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 161.1 | 169 | 0 | 0 | 0 | 0 | 0 | 111.2 | V229 Y230 | V229-G238 WeakPolarHBondContact CA-O 3.31Å; Y230-G238 PolarHBondContact N-O 3.32Å; Y230-G238 PolarHBondContact O-N 3.15Å |
| 239 | R | 94 | Very high | 90.1 | Very high | 120 Ų | 120 | 57 Ų | 57 | 45% | 0.453 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 135.6 | 175 | -175.9 | 174.7 | 65 | -164.6 | 1 | 110.8 | L180 A227 I228 V229 | L180-R239 HydrophobicContact CD2-CB 3.95Å; A227-R239 HydrophobicContact CB-CG 3.77Å; I228-R239 CarbonylContact O-C 3.59Å; I228-R239 WeakPolarHBondContact O-CA 3.44Å; V229-R239 HydrophobicContact CG2-CG 4.39Å |
| 240 | R | 94.7 | Very high | 88.3 | Confident | 87 Ų | 87 | 59.4 Ų | 59.4 | 33% | 0.328 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.3 | 174.1 | -176.6 | -175.8 | -60 | 148.7 | 9.1 | 109.4 | A227 I228 Y230 L242 K288 K289 | A227-R240 CarbonylContact C-O 3.53Å; A227-R240 VanDerWaalsContact CA-O 3.3Å; A227-R240 WeakPolarHBondContact CA-O 3.2Å; I228-R240 PolarHBondContact N-O 3.26Å; I228-R240 PolarHBondContact O-N 2.8Å; Y230-R240 HydrophobicContact CE1-CB 4.09Å; R240-L242 PolarHBondContact O-N 3.18Å; R240-K288 PolarHBondContact NH1-O 2.62Å; R240-K289 PolarHBondContact NH1-O 3.11Å |
| 241 | Q | 94.3 | Very high | 86.5 | Confident | 88 Ų | 88 | 60.5 Ų | 60.5 | 41% | 0.411 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 130.5 | 175.7 | -170.3 | 64.6 | 26.6 | 0 | 0 | 110.4 | F226 G243 | F226-Q241 PolarHBondContact O-NE2 3.17Å; Q241-G243 PolarHBondContact NE2-O 2.98Å |
| 242 | L | 93.4 | Very high | 84.3 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -61.7 | 178.3 | -172.3 | 51.2 | 0 | 0 | 0 | 110 | L203 F226 I228 R240 V283 L285 K288 | L203-L242 HydrophobicContact CD1-CG 4.13Å; L203-L242 HydrophobicContact CD2-CD2 3.33Å; L203-L242 HydrophobicContact CD2-CG 3.64Å; L203-L242 HydrophobicContact CG-CD2 4.3Å; L203-L242 HydrophobicContact CG-CG 4.17Å; F226-L242 HydrophobicContact CB-CB 3.92Å; F226-L242 HydrophobicContact CB-CD2 4.16Å; F226-L242 HydrophobicContact CB-CG 4.34Å; F226-L242 WeakPolarHBondContact O-CA 3.18Å; F226-L242 VanDerWaalsContact O-CB 3.29Å; F226-L242 WeakPolarHBondContact O-CB 3.2Å; F226-L242 PolarHBondContact O-N 3.47Å; I228-L242 HydrophobicContact CD1-CD1 4.13Å; I228-L242 HydrophobicContact CG1-CD2 4.29Å; R240-L242 PolarHBondContact O-N 3.18Å; L242-V283 HydrophobicContact CD1-CG1 4.08Å; L242-L285 HydrophobicContact CD2-CD2 3.87Å; L242-K288 HydrophobicContact CD1-CB 3.29Å; L242-K288 HydrophobicContact CD1-CD 3.79Å; L242-K288 HydrophobicContact CD1-CG 3.32Å; L242-K288 WeakPolarHBondContact O-CE 3.48Å; L242-K288 PolarHBondContact O-NZ 3.26Å |
| 243 | G | 93.7 | Very high | 82.2 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.1 | -169.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | F226 Q241 D280 | F226-G243 PolarHBondContact N-O 2.84Å; F226-G243 PolarHBondContact O-N 3.29Å; Q241-G243 PolarHBondContact NE2-O 2.98Å; G243-D280 WeakPolarHBondContact CA-OD2 3.25Å |
| 244 | V | 93.1 | Very high | 80.6 | Confident | 24 Ų | 24 | 66.8 Ų | 66.8 | 15% | 0.145 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 134.5 | 176.4 | -172.1 | 0 | 0 | 0 | 0 | 110.2 | R223 M224 H225 I246 D280 | R223-V244 HydrophobicContact CB-CG1 4.13Å; M224-V244 WeakPolarHBondContact O-CA 3.1Å; H225-V244 WeakPolarHBondContact ND1-CG2 3.4Å; V244-I246 HydrophobicContact CG1-CG1 4.2Å; V244-D280 PolarHBondContact N-OD2 3.16Å; V244-D280 PolarHBondContact O-N 2.75Å |
| 245 | V | 93.3 | Very high | 78.5 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 141.3 | 173.7 | 180 | 0 | 0 | 0 | 0 | 110.2 | L203 A207 M224 F226 D279 | L203-V245 HydrophobicContact CB-CG2 3.5Å; L203-V245 HydrophobicContact CD1-CG2 4.26Å; L203-V245 HydrophobicContact CG-CG2 4.46Å; A207-V245 HydrophobicContact CB-CB 4.16Å; A207-V245 HydrophobicContact CB-CG1 3.69Å; A207-V245 HydrophobicContact CB-CG2 4.47Å; M224-V245 HydrophobicContact CE-CB 4.32Å; M224-V245 HydrophobicContact CE-CG1 4.12Å; M224-V245 PolarHBondContact N-O 3.16Å; M224-V245 PolarHBondContact O-N 3.36Å; F226-V245 HydrophobicContact CD2-CG2 4.17Å; F226-V245 HydrophobicContact CE2-CB 3.97Å; F226-V245 HydrophobicContact CE2-CG2 3.76Å; V245-D279 WeakPolarHBondContact CA-OD1 3.46Å |
| 246 | I | 91.7 | Very high | 76.9 | Confident | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.026 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 121.9 | -173.9 | -52.4 | 170.8 | 0 | 0 | 0 | 111.2 | T222 R223 V244 Y249 L277 D279 | T222-I246 WeakPolarHBondContact O-CA 2.95Å; R223-I246 HydrophobicContact CB-CG1 4.21Å; R223-I246 HydrophobicContact CG-CD1 4.18Å; R223-I246 HydrophobicContact CG-CG1 3.95Å; R223-I246 HydrophobicContact CG-CG2 4.2Å; V244-I246 HydrophobicContact CG1-CG1 4.2Å; I246-Y249 HydrophobicContact CB-CD2 4.27Å; I246-Y249 HydrophobicContact CG2-CD2 3.47Å; I246-Y249 VanDerWaalsContact CG2-CD2 3.47Å; I246-Y249 HydrophobicContact CG2-CE2 3.67Å; I246-L277 HydrophobicContact CB-CD2 4.44Å; I246-L277 HydrophobicContact CD1-CB 4.49Å; I246-L277 HydrophobicContact CD1-CD1 3.43Å; I246-L277 VanDerWaalsContact CD1-CD1 3.43Å; I246-L277 HydrophobicContact CD1-CD2 3.46Å; I246-L277 VanDerWaalsContact CD1-CD2 3.46Å; I246-L277 HydrophobicContact CD1-CG 3.16Å; I246-L277 HydrophobicContact CG2-CD2 4.01Å; I246-D279 PolarHBondContact N-OD1 3.44Å; I246-D279 VanDerWaalsContact N-OD1 3.12Å |
| 247 | T | 90.5 | Very high | 74.6 | Confident | 10 Ų | 10 | 71.5 Ų | 71.5 | 6% | 0.061 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 131.6 | -177.2 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | R211 A217 G221 T222 M224 | R211-T247 PolarHBondContact NE-OG1 2.71Å; A217-T247 WeakPolarHBondContact O-CB 3.36Å; A217-T247 WeakPolarHBondContact O-CG2 3.45Å; A217-T247 PolarHBondContact O-OG1 3.39Å; G221-T247 PolarHBondContact N-O 3.12Å; T222-T247 PolarHBondContact O-N 3Å; M224-T247 VanDerWaalsContact CE-OG1 3.26Å; M224-T247 WeakPolarHBondContact CE-OG1 3.34Å |
| 248 | G | 82.6 | Confident | 72.3 | Confident | 44 Ų | 44 | 77.1 Ų | 77.1 | 45% | 0.454 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 11.8 | 169 | 0 | 0 | 0 | 0 | 0 | 115.7 | R220 | R220-G248 PolarHBondContact NE-O 3.08Š|
| 249 | Y | 69.7 | Low | 69.7 | Low | 97 Ų | 97 | 83.8 Ų | 83.8 | 38% | 0.38 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -108.4 | 116.2 | 156 | -56.7 | -79.1 | 0 | 0 | 0 | 106 | I246 S251 L277 | I246-Y249 HydrophobicContact CB-CD2 4.27Å; I246-Y249 HydrophobicContact CG2-CD2 3.47Å; I246-Y249 VanDerWaalsContact CG2-CD2 3.47Å; I246-Y249 HydrophobicContact CG2-CE2 3.67Å; Y249-S251 PolarHBondContact O-N 3.03Å; Y249-L277 HydrophobicContact CD2-CD2 3.72Å; Y249-L277 HydrophobicContact CE2-CD2 3.6Å; Y249-L277 HydrophobicContact CG-CD2 4.4Å |
| 250 | G | 57.2 | Low | 67.6 | Low | 52 Ų | 52 | 82.7 Ų | 82.7 | 54% | 0.536 | 47% | 0.465 | S | S | . | . | trans | -66.5 | 134.2 | -178 | 0 | 0 | 0 | 0 | 0 | 109.9 | N252 S253 | G250-N252 PolarHBondContact O-N 2.84Å; G250-S253 PolarHBondContact O-N 2.62Å; G250-S253 PolarHBondContact O-OG 3.09Å | ||
| 251 | S | 55.1 | Low | 65.2 | Low | 90 Ų | 90 | 84.8 Ų | 84.8 | 63% | 0.629 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -6.1 | 167.7 | -179.6 | 0 | 0 | 0 | 0 | 114 | Y249 | Y249-S251 PolarHBondContact O-N 3.03Š|
| 252 | N | 47 | Very low | 62.8 | Low | 145 Ų | 145 | 87.1 Ų | 87.1 | 78% | 0.775 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | 13.5 | -171.7 | -56.3 | -1.1 | 0 | 0 | 0 | 113 | G250 | G250-N252 PolarHBondContact O-N 2.84Š|
| 253 | S | 45.6 | Very low | 60.4 | Low | 96 Ų | 96 | 93 Ų | 93 | 67% | 0.671 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -105 | 14.7 | 175.9 | 66.5 | 0 | 0 | 0 | 0 | 114.5 | G250 | G250-S253 PolarHBondContact O-N 2.62Å; G250-S253 PolarHBondContact O-OG 3.09Å |
| 254 | I | 53.7 | Low | 58.3 | Low | 141 Ų | 141 | 99.6 Ų | 99.6 | 72% | 0.723 | 58% | 0.579 | S | S | * | * | trans | -124.7 | 52.6 | 167.5 | -44.1 | 177.3 | 0 | 0 | 0 | 108.8 | ||||
| 255 | E | 41 | Very low | 55.9 | Low | 179 Ų | 179 | 104.8 Ų | 104.8 | 84% | 0.836 | 61% | 0.611 | S | S | * | * | trans | -96.4 | 84.7 | 145 | -68.2 | -161.4 | 170.4 | 0 | 0 | 105.6 | D257 | E255-D257 PolarHBondContact O-N 3.09Š| ||
| 256 | L | 51.2 | Low | 53.3 | Low | 119 Ų | 119 | 110.4 Ų | 110.4 | 62% | 0.623 | 64% | 0.641 | S | S | * | * | trans | -78.5 | 112.2 | 158.7 | -90 | 148.2 | 0 | 0 | 0 | 105.7 | N258 | L256-N258 PolarHBondContact O-N 2.74Š| ||
| 257 | D | 38.4 | Very low | 51.1 | Low | 139 Ų | 139 | 121.9 Ų | 121.9 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | trans | -32 | 97.2 | 174 | -62.7 | -46.2 | 0 | 0 | 0 | 113.3 | E255 N259 | E255-D257 PolarHBondContact O-N 3.09Å; D257-N259 PolarHBondContact O-N 3.49Å | ||
| 258 | N | 44.5 | Very low | 48.5 | Very low | 167 Ų | 167 | 127.6 Ų | 127.6 | 89% | 0.893 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 26.4 | 169.2 | -79.2 | -32.8 | 0 | 0 | 0 | 112.1 | L256 | L256-N258 PolarHBondContact O-N 2.74Š|
| 259 | N | 40.1 | Very low | 46.9 | Very low | 152 Ų | 152 | 132.1 Ų | 132.1 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.1 | 26.6 | -176 | -135.7 | 14.2 | 0 | 0 | 0 | 116.9 | D257 | D257-N259 PolarHBondContact O-N 3.49Š|
| 260 | S | 49.1 | Very low | 45.4 | Very low | 98 Ų | 98 | 136 Ų | 136 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | -118.5 | 83.7 | 166.6 | -76.1 | 0 | 0 | 0 | 0 | 111.3 | D262 | S260-D262 VanDerWaalsContact C-N 3.26Å; S260-D262 PolarHBondContact O-N 3.19Å; S260-D262 VanDerWaalsContact O-N 3.16Å | ||
| 261 | T | 43.7 | Very low | 45.2 | Very low | 130 Ų | 130 | 140.1 Ų | 140.1 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | trans | -60.4 | 100.3 | 135.9 | 48.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 262 | D | 44.2 | Very low | 44.7 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | 176.6 | 110.5 | 146.6 | -83.6 | -17.5 | 0 | 0 | 0 | 109.8 | S260 | S260-D262 VanDerWaalsContact C-N 3.26Å; S260-D262 PolarHBondContact O-N 3.19Å; S260-D262 VanDerWaalsContact O-N 3.16Å | ||
| 263 | T | 42.3 | Very low | 44.4 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | trans | 16.8 | 109.6 | 139.6 | 30.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 264 | T | 49.3 | Very low | 44.3 | Very low | 141 Ų | 141 | 147.2 Ų | 147.2 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | -179.7 | 125 | 112.8 | 28.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 265 | T | 42.9 | Very low | 43.9 | Very low | 132 Ų | 132 | 149 Ų | 149 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -59.2 | 151.4 | 170.7 | 48.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 266 | N | 40 | Very low | 44.3 | Very low | 118 Ų | 118 | 148.6 Ų | 148.6 | 63% | 0.631 | 78% | 0.776 | S | S | * | * | trans | 87.1 | 87.3 | 150 | -158.4 | -9.8 | 0 | 0 | 0 | 116.9 | N268 | N266-N268 PolarHBondContact OD1-ND2 3.13Å; N266-N268 PolarHBondContact OD1-OD1 3.13Å | ||
| 267 | R | 44.1 | Very low | 44.8 | Very low | 246 Ų | 246 | 145.1 Ų | 145.1 | 93% | 0.928 | 76% | 0.758 | S | S | * | * | trans | -140.9 | 118.8 | 138.6 | -71 | -163.6 | -177.1 | 144.2 | 4.3 | 111.7 | ||||
| 268 | N | 37.3 | Very low | 46.4 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | trans | -80 | 115.7 | -172.6 | -41.4 | -41.3 | 0 | 0 | 0 | 107.8 | N266 | N266-N268 PolarHBondContact OD1-ND2 3.13Å; N266-N268 PolarHBondContact OD1-OD1 3.13Å | ||
| 269 | N | 47.5 | Very low | 48.4 | Very low | 139 Ų | 139 | 139 Ų | 139 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | trans | -153.3 | 98.9 | 161.8 | -82.3 | -34.8 | 0 | 0 | 0 | 108 | I271 | N269-I271 PolarHBondContact O-N 3.48Š| ||
| 270 | N | 39.9 | Very low | 50.9 | Low | 178 Ų | 178 | 134 Ų | 134 | 95% | 0.952 | 70% | 0.697 | S | S | * | * | trans | -63 | 75.1 | 165.5 | -81 | -18.6 | 0 | 0 | 0 | 109.7 | ||||
| 271 | I | 52.1 | Low | 52.9 | Low | 140 Ų | 140 | 130 Ų | 130 | 72% | 0.718 | 67% | 0.67 | S | S | * | * | trans | -107.8 | 97.9 | 163.6 | -58.7 | 173.8 | 0 | 0 | 0 | 105.4 | N269 R273 | N269-I271 PolarHBondContact O-N 3.48Å; I271-R273 PolarHBondContact O-N 2.71Å | ||
| 272 | Q | 45.8 | Very low | 55.2 | Low | 174 Ų | 174 | 128.6 Ų | 128.6 | 81% | 0.813 | 67% | 0.665 | S | S | * | * | trans | -27.6 | 103.3 | 170.3 | -139 | 123.4 | -8 | 0 | 0 | 111 | P274 | Q272-P274 WeakPolarHBondContact O-CD 3.43Š| ||
| 273 | R | 40.6 | Very low | 57.5 | Low | 216 Ų | 216 | 123.3 Ų | 123.3 | 82% | 0.815 | 64% | 0.638 | S | S | * | * | trans | -62.7 | 105.6 | 167.3 | -65.5 | -177.6 | -177.5 | -130.1 | 1.4 | 106 | I271 F275 | I271-R273 PolarHBondContact O-N 2.71Å; R273-F275 PolarHBondContact O-N 2.83Å | ||
| 274 | P | 43.1 | Very low | 60 | Low | 89 Ų | 89 | 119 Ų | 119 | 58% | 0.578 | 61% | 0.612 | S | S | * | * | trans | -85.5 | 93.6 | -168.1 | 31.8 | -24.8 | 0 | 0 | 0 | 108.1 | Q272 | Q272-P274 WeakPolarHBondContact O-CD 3.43Š| ||
| 275 | F | 44.1 | Very low | 62.2 | Low | 179 Ų | 179 | 112.4 Ų | 112.4 | 79% | 0.785 | 57% | 0.571 | S | S | * | * | trans | 65.3 | 133.3 | 165.8 | -48 | -79.8 | 0 | 0 | 0 | 114.9 | R273 L277 | R273-F275 PolarHBondContact O-N 2.83Å; F275-L277 PolarHBondContact O-N 3.37Å | ||
| 276 | N | 50.7 | Low | 64.6 | Low | 170 Ų | 170 | 111 Ų | 111 | 91% | 0.909 | 56% | 0.557 | S | S | * | * | trans | -66.5 | 82.6 | 166.8 | -71.3 | -20.5 | 0 | 0 | 0 | 108 | I278 | N276-I278 PolarHBondContact O-N 3.3Å; N276-I278 VanDerWaalsContact O-N 3.13Å | ||
| 277 | L | 61.6 | Low | 67.1 | Low | 47 Ų | 47 | 108.7 Ų | 108.7 | 25% | 0.246 | 55% | 0.551 | C | S | . | * | trans | -82.5 | 97.9 | -173 | -169 | 62.3 | 0 | 0 | 0 | 106.7 | R223 I246 Y249 F275 D279 | R223-L277 VanDerWaalsContact NH2-CD1 3.33Å; I246-L277 HydrophobicContact CB-CD2 4.44Å; I246-L277 HydrophobicContact CD1-CB 4.49Å; I246-L277 HydrophobicContact CD1-CD1 3.43Å; I246-L277 VanDerWaalsContact CD1-CD1 3.43Å; I246-L277 HydrophobicContact CD1-CD2 3.46Å; I246-L277 VanDerWaalsContact CD1-CD2 3.46Å; I246-L277 HydrophobicContact CD1-CG 3.16Å; I246-L277 HydrophobicContact CG2-CD2 4.01Å; Y249-L277 HydrophobicContact CD2-CD2 3.72Å; Y249-L277 HydrophobicContact CE2-CD2 3.6Å; Y249-L277 HydrophobicContact CG-CD2 4.4Å; F275-L277 PolarHBondContact O-N 3.37Å; L277-D279 PolarHBondContact O-N 2.87Å; L277-D279 VanDerWaalsContact O-N 3.13Å | ||
| 278 | I | 72.4 | Confident | 69.4 | Low | 124 Ų | 124 | 100.3 Ų | 100.3 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | trans | -61.2 | 114.6 | -178.4 | -58.8 | 163.5 | 0 | 0 | 0 | 107.6 | N276 | N276-I278 PolarHBondContact O-N 3.3Å; N276-I278 VanDerWaalsContact O-N 3.13Å | ||
| 279 | D | 86.5 | Confident | 72.1 | Confident | 54 Ų | 54 | 101.7 Ų | 101.7 | 29% | 0.289 | 52% | 0.521 | S | S | . | . | trans | -117.3 | 113.7 | 176.6 | -171.2 | 47.7 | 0 | 0 | 0 | 108.5 | V245 I246 L277 S281 | V245-D279 WeakPolarHBondContact CA-OD1 3.46Å; I246-D279 PolarHBondContact N-OD1 3.44Å; I246-D279 VanDerWaalsContact N-OD1 3.12Å; L277-D279 PolarHBondContact O-N 2.87Å; L277-D279 VanDerWaalsContact O-N 3.13Å; D279-S281 VanDerWaalsContact C-N 3.28Å; D279-S281 PolarHBondContact O-N 3.44Å; D279-S281 PolarHBondContact OD1-OG 3.21Å; D279-S281 VanDerWaalsContact OD1-OG 3.09Å; D279-S281 WeakPolarHBondContact OD2-CB 3.47Å; D279-S281 PolarHBondContact OD2-OG 2.92Å | ||
| 280 | D | 91.8 | Very high | 74.3 | Confident | 46 Ų | 46 | 95.7 Ų | 95.7 | 25% | 0.246 | 49% | 0.488 | C | S | . | . | trans | -95.2 | 24.8 | -177 | -64.8 | -45.2 | 0 | 0 | 0 | 111.5 | L203 G243 V244 S282 V283 | L203-D280 HydrophobicContact CD1-CB 4.05Å; G243-D280 WeakPolarHBondContact CA-OD2 3.25Å; V244-D280 PolarHBondContact N-OD2 3.16Å; V244-D280 PolarHBondContact O-N 2.75Å; D280-S282 PolarHBondContact O-N 3.1Å; D280-V283 HydrophobicContact CB-CB 4.45Å; D280-V283 HydrophobicContact CB-CG2 3.84Å; D280-V283 VanDerWaalsContact O-CB 3.32Å; D280-V283 WeakPolarHBondContact O-CB 3.49Å; D280-V283 WeakPolarHBondContact O-CG2 3.49Å; D280-V283 PolarHBondContact O-N 3.47Å | ||
| 281 | S | 91.5 | Very high | 76.9 | Confident | 14 Ų | 14 | 93.8 Ų | 93.8 | 10% | 0.098 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -33.3 | -173.2 | -75.1 | 0 | 0 | 0 | 0 | 114.5 | L203 A204 D279 | L203-S281 PolarHBondContact N-O 3.19Å; A204-S281 PolarHBondContact N-O 3.43Å; A204-S281 VanDerWaalsContact N-O 3.09Å; D279-S281 VanDerWaalsContact C-N 3.28Å; D279-S281 PolarHBondContact O-N 3.44Å; D279-S281 PolarHBondContact OD1-OG 3.21Å; D279-S281 VanDerWaalsContact OD1-OG 3.09Å; D279-S281 WeakPolarHBondContact OD2-CB 3.47Å; D279-S281 PolarHBondContact OD2-OG 2.92Å |
| 282 | S | 91.4 | Very high | 78.9 | Confident | 101 Ų | 101 | 93.9 Ų | 93.9 | 71% | 0.706 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -9.1 | -179 | 60.1 | 0 | 0 | 0 | 0 | 114.7 | D280 T284 | D280-S282 PolarHBondContact O-N 3.1Å; S282-T284 PolarHBondContact O-N 3.31Å |
| 283 | V | 92.3 | Very high | 81.2 | Confident | 26 Ų | 26 | 88 Ų | 88 | 16% | 0.158 | 46% | 0.46 | C | S | . | . | trans | -67 | 129.5 | -179.8 | 173.8 | 0 | 0 | 0 | 0 | 109.9 | T202 L203 L242 D280 S287 K288 | T202-V283 CarbonylContact C-O 3.54Å; T202-V283 WeakPolarHBondContact CA-O 3.42Å; L203-V283 HydrophobicContact CD1-CB 4.09Å; L203-V283 HydrophobicContact CD1-CG1 4.45Å; L203-V283 HydrophobicContact CG-CB 4.27Å; L203-V283 PolarHBondContact N-O 3.45Å; L242-V283 HydrophobicContact CD1-CG1 4.08Å; D280-V283 HydrophobicContact CB-CB 4.45Å; D280-V283 HydrophobicContact CB-CG2 3.84Å; D280-V283 VanDerWaalsContact O-CB 3.32Å; D280-V283 WeakPolarHBondContact O-CB 3.49Å; D280-V283 WeakPolarHBondContact O-CG2 3.49Å; D280-V283 PolarHBondContact O-N 3.47Å; V283-S287 WeakPolarHBondContact CG1-OG 3.41Å; V283-K288 HydrophobicContact CG1-CD 4.46Å; V283-K288 HydrophobicContact CG1-CG 3.92Å | ||
| 284 | T | 95.1 | Very high | 83.8 | Confident | 36 Ų | 36 | 78.5 Ų | 78.5 | 22% | 0.221 | 43% | 0.426 | C | S | . | . | B | Isolated β-bridge | trans | -99.2 | 157.2 | -179.8 | 63.6 | 0 | 0 | 0 | 0 | 112.7 | D200 A201 T202 S282 L286 S287 | D200-T284 WeakPolarHBondContact O-CG2 3.49Å; A201-T284 CarbonylContact O-C 3.5Å; A201-T284 VanDerWaalsContact O-CA 3.24Å; A201-T284 WeakPolarHBondContact O-CA 3.33Å; T202-T284 HydrophobicContact CG2-CG2 3.91Å; S282-T284 PolarHBondContact O-N 3.31Å; T284-L286 VanDerWaalsContact C-N 3.25Å; T284-L286 PolarHBondContact O-N 2.89Å; T284-S287 PolarHBondContact N-OG 2.74Å; T284-S287 PolarHBondContact O-N 3.25Å; T284-S287 PolarHBondContact O-OG 2.78Å; T284-S287 PolarHBondContact OG1-N 3.36Å |
| 285 | L | 95.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.005 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -39 | 172.9 | -66.7 | 176.9 | 0 | 0 | 0 | 112.1 | M165 L167 T197 I199 A201 L206 L242 S287 K288 K289 F290 V296 | M165-L285 HydrophobicContact CE-CD1 3.91Å; L167-L285 HydrophobicContact CD1-CD1 4.09Å; L167-L285 HydrophobicContact CD2-CD1 4.39Å; T197-L285 HydrophobicContact CG2-CD1 4.34Å; I199-L285 HydrophobicContact CD1-CB 4.08Å; I199-L285 CarbonylContact O-C 3.51Å; I199-L285 WeakPolarHBondContact O-CB 3.44Å; A201-L285 HydrophobicContact CB-CD1 4.23Å; A201-L285 PolarHBondContact O-N 3.01Å; L206-L285 HydrophobicContact CD1-CD1 4.39Å; L206-L285 HydrophobicContact CD2-CD2 4.04Å; L242-L285 HydrophobicContact CD2-CD2 3.87Å; L285-S287 VanDerWaalsContact C-N 3.35Å; L285-S287 PolarHBondContact O-N 3.31Å; L285-K288 PolarHBondContact O-N 3.25Å; L285-K289 PolarHBondContact O-N 3.39Å; L285-F290 HydrophobicContact CB-CB 3.92Å; L285-F290 HydrophobicContact CB-CG 4.27Å; L285-F290 HydrophobicContact CD2-CB 4.37Å; L285-F290 HydrophobicContact CD2-CD2 4.26Å; L285-F290 HydrophobicContact CD2-CG 4.27Å; L285-F290 WeakPolarHBondContact O-CB 3.25Å; L285-F290 PolarHBondContact O-N 3.07Å; L285-V296 HydrophobicContact CD2-CG2 4.5Å |
| 286 | L | 93.5 | Very high | 88.8 | Confident | 102 Ų | 102 | 67.5 Ų | 67.5 | 53% | 0.534 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -59 | -45 | 177.1 | -175.7 | 63.4 | 0 | 0 | 0 | 111.4 | I199 T284 K288 K289 | I199-L286 HydrophobicContact CG1-CB 4.03Å; I199-L286 HydrophobicContact CG1-CD1 3.89Å; I199-L286 HydrophobicContact CG2-CD1 4.15Å; I199-L286 WeakPolarHBondContact O-CA 3.29Å; I199-L286 VanDerWaalsContact O-CB 3.24Å; I199-L286 WeakPolarHBondContact O-CB 3.34Å; I199-L286 PolarHBondContact O-N 3.47Å; T284-L286 VanDerWaalsContact C-N 3.25Å; T284-L286 PolarHBondContact O-N 2.89Å; L286-K288 PolarHBondContact O-N 3.18Å; L286-K288 VanDerWaalsContact O-N 3.11Å; L286-K289 PolarHBondContact O-N 2.98Å |
| 287 | S | 92.5 | Very high | 90.9 | Very high | 70 Ų | 70 | 59.4 Ų | 59.4 | 49% | 0.49 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -59.5 | -27 | -178.4 | 75.7 | 0 | 0 | 0 | 0 | 112.8 | V283 T284 L285 | V283-S287 WeakPolarHBondContact CG1-OG 3.41Å; T284-S287 PolarHBondContact N-OG 2.74Å; T284-S287 PolarHBondContact O-N 3.25Å; T284-S287 PolarHBondContact O-OG 2.78Å; T284-S287 PolarHBondContact OG1-N 3.36Å; L285-S287 VanDerWaalsContact C-N 3.35Å; L285-S287 PolarHBondContact O-N 3.31Å |
| 288 | K | 93.2 | Very high | 92.6 | Very high | 71 Ų | 71 | 57.2 Ų | 57.2 | 31% | 0.309 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -108.6 | 18.1 | -173.9 | -66 | -108.4 | 178 | 162.2 | 0 | 113.3 | I228 R240 L242 V283 L285 L286 F290 | I228-K288 HydrophobicContact CD1-CB 4.17Å; R240-K288 PolarHBondContact NH1-O 2.62Å; L242-K288 HydrophobicContact CD1-CB 3.29Å; L242-K288 HydrophobicContact CD1-CD 3.79Å; L242-K288 HydrophobicContact CD1-CG 3.32Å; L242-K288 WeakPolarHBondContact O-CE 3.48Å; L242-K288 PolarHBondContact O-NZ 3.26Å; V283-K288 HydrophobicContact CG1-CD 4.46Å; V283-K288 HydrophobicContact CG1-CG 3.92Å; L285-K288 PolarHBondContact O-N 3.25Å; L286-K288 PolarHBondContact O-N 3.18Å; L286-K288 VanDerWaalsContact O-N 3.11Å; K288-F290 VanDerWaalsContact C-N 3.27Å; K288-F290 PolarHBondContact O-N 2.91Å |
| 289 | K | 92.9 | Very high | 93.7 | Very high | 158 Ų | 158 | 51.4 Ų | 51.4 | 69% | 0.687 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 43.2 | 175 | -52.1 | 176.9 | 179 | -179.6 | 0 | 111.7 | R240 L285 L286 | R240-K289 PolarHBondContact NH1-O 3.11Å; L285-K289 PolarHBondContact O-N 3.39Å; L286-K289 PolarHBondContact O-N 2.98Å |
| 290 | F | 95 | Very high | 94.1 | Very high | 14 Ų | 14 | 48.9 Ų | 48.9 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | trans | -63.7 | 140 | 168.3 | -179.8 | -90.3 | 0 | 0 | 0 | 109.4 | M165 L167 I199 I228 L285 K288 D294 V296 | M165-F290 HydrophobicContact CE-CD1 3.8Å; M165-F290 HydrophobicContact CE-CE1 3.61Å; M165-F290 HydrophobicContact SD-CD1 4.45Å; M165-F290 HydrophobicContact SD-CE1 4.03Å; L167-F290 HydrophobicContact CD1-CE1 3.8Å; L167-F290 HydrophobicContact CD1-CE2 3.77Å; L167-F290 HydrophobicContact CD1-CZ 3.27Å; I199-F290 HydrophobicContact CD1-CB 3.88Å; I199-F290 HydrophobicContact CD1-CD1 3.54Å; I199-F290 HydrophobicContact CD1-CG 4.18Å; I199-F290 WeakPolarHBondContact CD1-O 3.26Å; I228-F290 HydrophobicContact CD1-CB 4.03Å; I228-F290 HydrophobicContact CD1-CD2 4.12Å; I228-F290 HydrophobicContact CG1-CD2 4.22Å; I228-F290 HydrophobicContact CG2-CD2 4.11Å; L285-F290 HydrophobicContact CB-CB 3.92Å; L285-F290 HydrophobicContact CB-CG 4.27Å; L285-F290 HydrophobicContact CD2-CB 4.37Å; L285-F290 HydrophobicContact CD2-CD2 4.26Å; L285-F290 HydrophobicContact CD2-CG 4.27Å; L285-F290 WeakPolarHBondContact O-CB 3.25Å; L285-F290 PolarHBondContact O-N 3.07Å; K288-F290 VanDerWaalsContact C-N 3.27Å; K288-F290 PolarHBondContact O-N 2.91Å; F290-D294 HydrophobicContact CD2-CB 3.86Å; F290-D294 HydrophobicContact CE2-CB 3.51Å; F290-D294 HydrophobicContact CZ-CB 4.02Å; F290-D294 WeakPolarHBondContact CZ-O 3.41Å; F290-V296 HydrophobicContact CD2-CG2 4.34Å; F290-V296 HydrophobicContact CE2-CG2 3.85Å | ||
| 291 | Q | 94.9 | Very high | 94 | Very high | 138 Ų | 138 | 47.2 Ų | 47.2 | 65% | 0.645 | 26% | 0.262 | S | S | * | . | trans | -122.1 | 150.8 | 173.8 | -65.3 | -172.7 | -18.4 | 0 | 0 | 110.6 | G293 D294 | Q291-G293 PolarHBondContact O-N 3.12Å; Q291-D294 PolarHBondContact N-OD2 2.96Å; Q291-D294 VanDerWaalsContact O-CB 3.25Å; Q291-D294 WeakPolarHBondContact O-CB 3.36Å; Q291-D294 PolarHBondContact O-N 3.02Å | ||
| 292 | I | 94.1 | Very high | 93.7 | Very high | 141 Ų | 141 | 49.6 Ų | 49.6 | 72% | 0.723 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 125 | 174.2 | -60.1 | 170.8 | 0 | 0 | 0 | 108.4 | M165 | M165-I292 HydrophobicContact CB-CD1 4.32Å; M165-I292 HydrophobicContact CB-CG1 4.33Å; M165-I292 HydrophobicContact SD-CD1 4.4Å; M165-I292 HydrophobicContact SD-CG1 3.74Å |
| 293 | G | 92.8 | Very high | 92.8 | Very high | 51 Ų | 51 | 49.7 Ų | 49.7 | 53% | 0.526 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.5 | -14.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q291 | Q291-G293 PolarHBondContact O-N 3.12Š|
| 294 | D | 95.3 | Very high | 91.6 | Very high | 17 Ų | 17 | 52.1 Ų | 52.1 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | trans | -70.5 | 152.8 | 166.2 | -65.4 | -18.2 | 0 | 0 | 0 | 110.3 | I228 Y230 F290 Q291 | I228-D294 HydrophobicContact CG2-CB 3.86Å; Y230-D294 VanDerWaalsContact CB-OD1 3.25Å; Y230-D294 WeakPolarHBondContact CB-OD1 3.39Å; F290-D294 HydrophobicContact CD2-CB 3.86Å; F290-D294 HydrophobicContact CE2-CB 3.51Å; F290-D294 HydrophobicContact CZ-CB 4.02Å; F290-D294 WeakPolarHBondContact CZ-O 3.41Å; Q291-D294 PolarHBondContact N-OD2 2.96Å; Q291-D294 VanDerWaalsContact O-CB 3.25Å; Q291-D294 WeakPolarHBondContact O-CB 3.36Å; Q291-D294 PolarHBondContact O-N 3.02Å | ||
| 295 | Y | 95.5 | Very high | 89.9 | Confident | 37 Ų | 37 | 55.3 Ų | 55.3 | 15% | 0.145 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 151.2 | 173 | -52.5 | -50.1 | 0 | 0 | 0 | 110.6 | R168 F170 Y183 I228 V229 Y237 | R168-Y295 HydrophobicContact CB-CD1 4.27Å; F170-Y295 AromaticContact CE2-CD1 3.94Å; F170-Y295 HydrophobicContact CE2-CD1 3.94Å; F170-Y295 HydrophobicContact CE2-CD2 4.46Å; F170-Y295 AromaticContact CE2-CG 3.85Å; F170-Y295 HydrophobicContact CE2-CG 3.85Å; Y183-Y295 AromaticContact CD1-CD2 3.71Å; Y183-Y295 HydrophobicContact CD1-CD2 3.71Å; Y183-Y295 HydrophobicContact CD1-CE2 4.13Å; Y183-Y295 AromaticContact CE1-CD2 3.97Å; Y183-Y295 HydrophobicContact CE1-CD2 3.97Å; Y183-Y295 HydrophobicContact CE1-CG 4.43Å; I228-Y295 CarbonylContact C-O 3.56Å; I228-Y295 WeakPolarHBondContact CA-O 3.22Å; V229-Y295 HydrophobicContact CG1-CD2 4.46Å; V229-Y295 PolarHBondContact N-O 2.91Å; V229-Y295 PolarHBondContact O-N 3.25Å; Y237-Y295 HydrophobicContact CE1-CD2 4.12Å; Y237-Y295 AromaticContact CE1-CE2 3.67Å; Y237-Y295 HydrophobicContact CE1-CE2 3.67Å |
| 296 | V | 96.6 | Very high | 88 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 136.7 | 167.8 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | L167 R168 L169 F170 L206 F226 A227 L285 F290 | L167-V296 HydrophobicContact CD1-CG2 3.88Å; L167-V296 HydrophobicContact CD2-CG2 4.13Å; L167-V296 HydrophobicContact CG-CG2 4.23Å; R168-V296 PolarHBondContact O-N 3.18Å; L169-V296 CarbonylContact C-O 3.55Å; L169-V296 VanDerWaalsContact CA-O 3.31Å; L169-V296 WeakPolarHBondContact CA-O 3.25Å; L169-V296 HydrophobicContact CB-CB 4.32Å; L169-V296 HydrophobicContact CD1-CB 4.35Å; L169-V296 HydrophobicContact CD1-CG1 3.81Å; L169-V296 HydrophobicContact CG-CB 4.26Å; L169-V296 HydrophobicContact CG-CG1 4.07Å; F170-V296 PolarHBondContact N-O 3.08Å; L206-V296 HydrophobicContact CD2-CG1 4.31Å; F226-V296 HydrophobicContact CD1-CG1 4.07Å; A227-V296 CarbonylContact O-C 3.54Å; A227-V296 WeakPolarHBondContact O-CA 3.44Å; L285-V296 HydrophobicContact CD2-CG2 4.5Å; F290-V296 HydrophobicContact CD2-CG2 4.34Å; F290-V296 HydrophobicContact CE2-CG2 3.85Å |
| 297 | D | 95.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.3 | 176.2 | -178.1 | 42.4 | 0 | 0 | 0 | 109.8 | F170 H177 Y178 F226 A227 V229 | F170-D297 CarbonylContact O-C 3.57Å; F170-D297 WeakPolarHBondContact O-CA 3.41Å; H177-D297 WeakPolarHBondContact CA-OD2 3.03Å; H177-D297 WeakPolarHBondContact CB-OD2 3.17Å; H177-D297 PolarHBondContact CE1-O 3.36Å; H177-D297 IonicContact CE1-OD2 3.54Å; H177-D297 IonicContact CG-OD2 3.24Å; H177-D297 VanDerWaalsContact CG-OD2 3.24Å; H177-D297 IonicContact ND1-OD2 3.84Å; H177-D297 PolarHBondContact ND1-OD2 3.17Å; Y178-D297 WeakPolarHBondContact CD2-OD1 3.46Å; Y178-D297 PolarHBondContact N-OD2 2.74Å; Y178-D297 VanDerWaalsContact N-OD2 3.08Å; F226-D297 CarbonylContact C-O 3.57Å; F226-D297 WeakPolarHBondContact CA-O 3.4Å; A227-D297 PolarHBondContact N-O 3.21Å; A227-D297 PolarHBondContact O-N 2.65Å; V229-D297 HydrophobicContact CG2-CB 4.05Å |
| 298 | C | 96.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 113.9 | -174.9 | -176.3 | 0 | 0 | 0 | 0 | 110.8 | L169 F170 Y171 S172 H225 F226 | L169-C298 HydrophobicContact CD2-CB 4Å; L169-C298 HydrophobicContact CG-CB 4.44Å; F170-C298 PolarHBondContact O-N 2.73Å; Y171-C298 CarbonylContact C-O 3.5Å; Y171-C298 VanDerWaalsContact CA-O 3.26Å; Y171-C298 WeakPolarHBondContact CA-O 3.33Å; S172-C298 PolarHBondContact N-O 2.78Å; H225-C298 CarbonylContact O-C 3.56Å; H225-C298 VanDerWaalsContact O-CA 3.3Å; H225-C298 WeakPolarHBondContact O-CA 3.28Å; F226-C298 HydrophobicContact CD1-CB 4.2Å; F226-C298 HydrophobicContact CE1-CB 4.16Å |
| 299 | A | 95.6 | Very high | 81.3 | Confident | 2 Ų | 2 | 62 Ų | 62 | 2% | 0.017 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 111.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | H225 | H225-A299 HydrophobicContact CB-CB 4.25Å; H225-A299 PolarHBondContact N-O 3.3Å; H225-A299 PolarHBondContact O-N 3.27Å |
| 300 | I | 94.7 | Very high | 79 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 121.2 | 179.2 | -55.2 | 171.6 | 0 | 0 | 0 | 107.7 | Y171 S172 A175 V210 V214 I216 A217 T222 M224 | Y171-I300 HydrophobicContact CD2-CD1 4.14Å; S172-I300 PolarHBondContact O-N 3.45Å; A175-I300 PolarHBondContact N-O 2.78Å; V210-I300 HydrophobicContact CG1-CD1 3.84Å; V210-I300 HydrophobicContact CG1-CG1 4.4Å; V214-I300 HydrophobicContact CB-CD1 4.15Å; V214-I300 HydrophobicContact CG1-CD1 3.86Å; V214-I300 HydrophobicContact CG2-CD1 4.18Å; I216-I300 HydrophobicContact CG2-CG2 4.47Å; A217-I300 HydrophobicContact CB-CD1 4.4Å; A217-I300 HydrophobicContact CB-CG2 4.42Å; T222-I300 HydrophobicContact CG2-CG2 3.63Å; M224-I300 HydrophobicContact CG-CG1 4.4Å |
| 301 | V | 91.3 | Very high | 76.5 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 7% | 0.073 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 107.2 | 173.8 | -156.5 | 0 | 0 | 0 | 0 | 109.7 | A175 T222 R223 Y303 W311 | A175-V301 HydrophobicContact CB-CB 4.14Å; A175-V301 HydrophobicContact CB-CG1 3.56Å; A175-V301 HydrophobicContact CB-CG2 3.8Å; T222-V301 WeakPolarHBondContact CA-O 3.4Å; T222-V301 WeakPolarHBondContact CG2-O 3.12Å; R223-V301 PolarHBondContact N-O 3.12Å; R223-V301 PolarHBondContact O-N 3.38Å; V301-Y303 PolarHBondContact O-N 2.82Å; V301-W311 HydrophobicContact CB-CH2 3.59Å; V301-W311 HydrophobicContact CB-CZ2 3.55Å; V301-W311 HydrophobicContact CG1-CH2 3.66Å; V301-W311 HydrophobicContact CG1-CZ2 3.04Å; V301-W311 HydrophobicContact CG2-CH2 3.82Å; V301-W311 HydrophobicContact CG2-CZ2 4.06Å; V301-W311 HydrophobicContact CG2-CZ3 4.4Å |
| 302 | E | 83.7 | Confident | 74.1 | Confident | 63 Ų | 63 | 61.3 Ų | 61.3 | 29% | 0.294 | 39% | 0.389 | S | S | . | . | trans | -66.4 | 132.9 | 176.1 | -167.1 | -175.4 | 155.1 | 0 | 0 | 110.6 | I216 R219 T304 | I216-E302 HydrophobicContact CG2-CB 4.02Å; I216-E302 HydrophobicContact CG2-CG 4.09Å; I216-E302 WeakPolarHBondContact CG2-OE2 3.37Å; R219-E302 WeakPolarHBondContact CD-OE1 3.42Å; R219-E302 IonicContact CZ-OE1 3.45Å; R219-E302 IonicContact CZ-OE2 3.55Å; R219-E302 IonicContact NE-OE1 3.62Å; R219-E302 IonicContact NH1-OE1 2.65Å; R219-E302 PolarHBondContact NH1-OE1 2.93Å; R219-E302 IonicContact NH1-OE2 2.62Å; R219-E302 PolarHBondContact NH1-OE2 3.17Å; E302-T304 PolarHBondContact O-N 3.37Å | ||
| 303 | Y | 72.7 | Confident | 71.6 | Confident | 103 Ų | 103 | 59.6 Ų | 59.6 | 40% | 0.404 | 39% | 0.39 | S | S | . | . | trans | -83.1 | 106.2 | 164.6 | 179.8 | -103.6 | 0 | 0 | 0 | 108.9 | G221 V301 P305 | G221-Y303 VanDerWaalsContact C-CB 3.42Å; G221-Y303 VanDerWaalsContact O-CB 3.28Å; G221-Y303 WeakPolarHBondContact O-CB 3.48Å; V301-Y303 PolarHBondContact O-N 2.82Å; Y303-P305 HydrophobicContact CD1-CB 4.46Å; Y303-P305 HydrophobicContact CE1-CB 3.88Å; Y303-P305 WeakPolarHBondContact O-CD 3.19Å | ||
| 304 | T | 66.7 | Low | 69.4 | Low | 78 Ų | 78 | 61.6 Ų | 61.6 | 48% | 0.479 | 41% | 0.41 | S | S | . | . | trans | -84.6 | 107.3 | 166.8 | -49.5 | 0 | 0 | 0 | 0 | 108.2 | E302 G306 S307 | E302-T304 PolarHBondContact O-N 3.37Å; T304-G306 PolarHBondContact O-N 3.45Å; T304-G306 VanDerWaalsContact O-N 3.17Å; T304-S307 WeakPolarHBondContact O-CB 3.07Å; T304-S307 PolarHBondContact O-N 3.36Å | ||
| 305 | P | 59.3 | Low | 67.3 | Low | 103 Ų | 103 | 71.9 Ų | 71.9 | 67% | 0.669 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 122.8 | 175 | 22 | -30.5 | 0 | 0 | 0 | 109.3 | Y303 | Y303-P305 HydrophobicContact CD1-CB 4.46Å; Y303-P305 HydrophobicContact CE1-CB 3.88Å; Y303-P305 WeakPolarHBondContact O-CD 3.19Å |
| 306 | G | 55.5 | Low | 65.3 | Low | 71 Ų | 71 | 80.7 Ų | 80.7 | 73% | 0.732 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.5 | -17.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T304 L308 | T304-G306 PolarHBondContact O-N 3.45Å; T304-G306 VanDerWaalsContact O-N 3.17Å; G306-L308 VanDerWaalsContact C-N 3.33Å; G306-L308 PolarHBondContact O-N 2.83Å; G306-L308 VanDerWaalsContact O-N 3.11Å |
| 307 | S | 53 | Low | 63.3 | Low | 73 Ų | 73 | 86.4 Ų | 86.4 | 51% | 0.51 | 52% | 0.518 | S | S | . | . | trans | -85.5 | 75.4 | 170.3 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | T304 G309 | T304-S307 WeakPolarHBondContact O-CB 3.07Å; T304-S307 PolarHBondContact O-N 3.36Å; S307-G309 PolarHBondContact O-N 3.28Å; S307-G309 VanDerWaalsContact O-N 3.07Å | ||
| 308 | L | 43.8 | Very low | 61 | Low | 163 Ų | 163 | 95 Ų | 95 | 85% | 0.853 | 56% | 0.563 | S | S | * | * | trans | -59.5 | 107.3 | 172.4 | -70.5 | 166.5 | 0 | 0 | 0 | 110.7 | G306 | G306-L308 VanDerWaalsContact C-N 3.33Å; G306-L308 PolarHBondContact O-N 2.83Å; G306-L308 VanDerWaalsContact O-N 3.11Å | ||
| 309 | G | 43 | Very low | 59.5 | Low | 77 Ų | 77 | 97.4 Ų | 97.4 | 79% | 0.794 | 59% | 0.587 | S | S | * | * | trans | 84 | 45.1 | 147 | 0 | 0 | 0 | 0 | 0 | 119.1 | S307 | S307-G309 PolarHBondContact O-N 3.28Å; S307-G309 VanDerWaalsContact O-N 3.07Å | ||
| 310 | G | 43.5 | Very low | 58.1 | Low | 64 Ų | 64 | 103.2 Ų | 103.2 | 66% | 0.66 | 63% | 0.625 | S | S | * | * | trans | -83.2 | -2.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 311 | W | 41.9 | Very low | 56.8 | Low | 131 Ų | 131 | 108.4 Ų | 108.4 | 50% | 0.496 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -114.3 | 68.7 | -171.2 | -44.9 | -13.8 | 0 | 0 | 0 | 111.9 | R223 H225 V301 | R223-W311 HydrophobicContact CB-CH2 3.99Å; R223-W311 HydrophobicContact CB-CZ3 4.47Å; R223-W311 VanDerWaalsContact CD-CH2 3.48Å; R223-W311 HydrophobicContact CG-CH2 3.83Å; R223-W311 HydrophobicContact CG-CZ3 4.4Å; H225-W311 AromaticContact NE2-CH2 3.99Å; H225-W311 AromaticContact NE2-CZ3 3.42Å; H225-W311 WeakPolarHBondContact NE2-CZ3 3.32Å; V301-W311 HydrophobicContact CB-CH2 3.59Å; V301-W311 HydrophobicContact CB-CZ2 3.55Å; V301-W311 HydrophobicContact CG1-CH2 3.66Å; V301-W311 HydrophobicContact CG1-CZ2 3.04Å; V301-W311 HydrophobicContact CG2-CH2 3.82Å; V301-W311 HydrophobicContact CG2-CZ2 4.06Å; V301-W311 HydrophobicContact CG2-CZ3 4.4Å |
| 312 | S | 44.4 | Very low | 55.8 | Low | 101 Ų | 101 | 113.3 Ų | 113.3 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -180 | 118 | 142.2 | 37.6 | 0 | 0 | 0 | 0 | 107.4 | ||
| 313 | S | 43.5 | Very low | 54.9 | Low | 105 Ų | 105 | 116.1 Ų | 116.1 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 56.6 | 85 | 150.7 | -54 | 0 | 0 | 0 | 0 | 117.1 | R315 | S313-R315 PolarHBondContact O-N 2.97Š|
| 314 | G | 46.1 | Very low | 54.1 | Low | 92 Ų | 92 | 116.5 Ų | 116.5 | 95% | 0.948 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 55.5 | 15.3 | 139.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||
| 315 | R | 51.4 | Low | 53.3 | Low | 233 Ų | 233 | 119 Ų | 119 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | trans | -105.3 | 105.4 | 177.2 | -68.1 | -167.8 | -150.2 | -100.8 | 4.6 | 108.6 | S313 | S313-R315 PolarHBondContact O-N 2.97Š| ||
| 316 | R | 53.4 | Low | 52.8 | Low | 223 Ų | 223 | 119.5 Ų | 119.5 | 84% | 0.842 | 75% | 0.749 | S | S | * | * | trans | -49.8 | 141.4 | 164.8 | -77.3 | 178.7 | 176.5 | -128.3 | -1.4 | 108.7 | L318 | R316-L318 PolarHBondContact O-N 3.5Š| ||
| 317 | P | 53.7 | Low | 52.3 | Low | 119 Ų | 119 | 122.9 Ų | 122.9 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -50.8 | 127.7 | 164.8 | -20 | 30.8 | 0 | 0 | 0 | 107.8 | G319 | P317-G319 PolarHBondContact O-N 3.16Š| ||
| 318 | L | 47.3 | Very low | 52.2 | Low | 182 Ų | 182 | 125 Ų | 125 | 95% | 0.953 | 77% | 0.766 | S | S | * | * | trans | -67 | 73.4 | 179.9 | -67.3 | 166.4 | 0 | 0 | 0 | 109.4 | R316 | R316-L318 PolarHBondContact O-N 3.5Š| ||
| 319 | G | 64.8 | Low | 52.2 | Low | 50 Ų | 50 | 120.8 Ų | 120.8 | 52% | 0.515 | 76% | 0.761 | S | S | . | * | P | Polyproline II helix | trans | -80.3 | 147 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | P317 | P317-G319 PolarHBondContact O-N 3.16Š|
| 320 | P | 67.5 | Low | 52.7 | Low | 124 Ų | 124 | 122.5 Ų | 122.5 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 137.5 | 175.6 | 22.3 | -31.1 | 0 | 0 | 0 | 110 | ||
| 321 | P | 67.1 | Low | 53 | Low | 110 Ų | 110 | 127 Ų | 127 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 144.8 | 177.4 | 27.1 | -33.3 | 0 | 0 | 0 | 109.8 | ||
| 322 | P | 68.7 | Low | 53.6 | Low | 114 Ų | 114 | 125.7 Ų | 125.7 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 138.3 | 171.8 | 26.3 | -33.1 | 0 | 0 | 0 | 109.5 | S324 | P322-S324 PolarHBondContact O-N 3.2Å; P322-S324 VanDerWaalsContact O-N 3.08Å |
| 323 | P | 66.5 | Low | 53.9 | Low | 123 Ų | 123 | 132.7 Ų | 132.7 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -63.5 | 114.1 | -179.9 | 24.7 | -32.2 | 0 | 0 | 0 | 110 | T325 | P323-T325 PolarHBondContact O-N 2.8Š| ||
| 324 | S | 55.1 | Low | 54 | Low | 111 Ų | 111 | 130.8 Ų | 130.8 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -84.1 | 94.8 | 167.7 | 54.3 | 0 | 0 | 0 | 0 | 108.8 | P322 | P322-S324 PolarHBondContact O-N 3.2Å; P322-S324 VanDerWaalsContact O-N 3.08Å | ||
| 325 | T | 49.7 | Very low | 54.3 | Low | 131 Ų | 131 | 131.5 Ų | 131.5 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -88.9 | 106.7 | 164.8 | 44.7 | 0 | 0 | 0 | 0 | 109.1 | P323 T327 | P323-T325 PolarHBondContact O-N 2.8Å; T325-T327 PolarHBondContact O-N 2.86Å | ||
| 326 | T | 48.3 | Very low | 54.4 | Low | 112 Ų | 112 | 126.7 Ų | 126.7 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | trans | -62.5 | 120.5 | 174.6 | -45.9 | 0 | 0 | 0 | 0 | 109.9 | T328 | T326-T328 HydrophobicContact CG2-CG2 3.83Å; T326-T328 PolarHBondContact O-N 3.31Å; T326-T328 VanDerWaalsContact O-N 3.12Å | ||
| 327 | T | 46.3 | Very low | 54.5 | Low | 142 Ų | 142 | 123 Ų | 123 | 87% | 0.871 | 77% | 0.77 | S | S | * | * | trans | -68.2 | 100.3 | 161.5 | -55.5 | 0 | 0 | 0 | 0 | 108.2 | T325 | T325-T327 PolarHBondContact O-N 2.86Š| ||
| 328 | T | 50.5 | Low | 54.4 | Low | 119 Ų | 119 | 125 Ų | 125 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | trans | -113.5 | 111.2 | 162.1 | 50.7 | 0 | 0 | 0 | 0 | 107.9 | T326 | T326-T328 HydrophobicContact CG2-CG2 3.83Å; T326-T328 PolarHBondContact O-N 3.31Å; T326-T328 VanDerWaalsContact O-N 3.12Å | ||
| 329 | G | 44 | Very low | 54.6 | Low | 74 Ų | 74 | 123.7 Ų | 123.7 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | trans | -70.9 | 149.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 330 | S | 53.1 | Low | 54.2 | Low | 113 Ų | 113 | 126.3 Ų | 126.3 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -170.6 | 95.6 | 149.6 | 59.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 331 | D | 49.5 | Very low | 53.6 | Low | 158 Ų | 158 | 130.2 Ų | 130.2 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | -65.8 | 149.1 | 144.2 | -80.3 | -37.9 | 0 | 0 | 0 | 107.2 | ||||
| 332 | P | 55.7 | Low | 53.1 | Low | 104 Ų | 104 | 133.6 Ų | 133.6 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | -158.5 | 166.2 | 64.3 | 40.9 | -18.7 | 0 | 0 | 0 | 119 | |||||
| 333 | R | 48.9 | Very low | 52.6 | Low | 248 Ų | 248 | 139.8 Ų | 139.8 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | trans | 79.7 | 129.8 | 141.8 | -77.8 | 162.3 | 179.8 | -163.4 | -0.9 | 122.1 | ||||
| 334 | G | 46.7 | Very low | 51.9 | Low | 65 Ų | 65 | 140.7 Ų | 140.7 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | trans | 100.3 | 94.1 | 139.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 335 | S | 51.1 | Low | 51.8 | Low | 106 Ų | 106 | 142.2 Ų | 142.2 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | 76.3 | 137 | 82.8 | 72.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 336 | T | 54.6 | Low | 51.9 | Low | 132 Ų | 132 | 142.8 Ų | 142.8 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | 78.6 | 144.7 | 168.2 | 69.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 337 | L | 54.9 | Low | 52.1 | Low | 146 Ų | 146 | 144.6 Ų | 144.6 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | cis | -177.7 | 174.8 | -25.7 | -142.1 | 147.2 | 0 | 0 | 0 | 103.1 | ||||
| 338 | E | 52.7 | Low | 52.5 | Low | 162 Ų | 162 | 144.8 Ų | 144.8 | 76% | 0.757 | 81% | 0.812 | S | S | * | * | trans | 70.9 | 101 | 175.3 | -102.4 | 96.6 | 174.1 | 0 | 0 | 115.6 | ||||
| 339 | E | 50.4 | Low | 52.6 | Low | 154 Ų | 154 | 146.5 Ų | 146.5 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | 52.9 | 97.8 | 69.1 | -159.6 | 176.9 | 171.4 | 0 | 0 | 113.7 | R341 | E339-R341 IonicContact OE1-NE 3.79Š| |||
| 340 | A | 56.1 | Low | 53.2 | Low | 105 Ų | 105 | 151.7 Ų | 151.7 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | trans | -143 | 126.2 | 151.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 341 | R | 55.3 | Low | 53.2 | Low | 205 Ų | 205 | 154.7 Ų | 154.7 | 77% | 0.774 | 82% | 0.824 | S | S | * | * | trans | -76.3 | 174.4 | -173.4 | -65.8 | 172 | 168.6 | -179.7 | -7.7 | 113.8 | E339 | E339-R341 IonicContact OE1-NE 3.79Š| ||
| 342 | M | 56.5 | Low | 53.5 | Low | 182 Ų | 182 | 154.4 Ų | 154.4 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | trans | 87.5 | 109.1 | 165 | -61.1 | -163.3 | -93.3 | 0 | 0 | 111.9 | ||||
| 343 | I | 59.5 | Low | 53.3 | Low | 244 Ų | 244 | 159 Ų | 159 | 100% | 1.251 | 84% | 0.835 | S | S | * | * | -151.8 | 0 | 51.3 | -80.9 | 159.9 | 0 | 0 | 0 | 110.5 |
Retrieved 343 of 343 residues in 156.8 ms
(Link to these results)