| 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 | 32.1 | Very low | 32 | Very low | 233 Ų | 233 | 171.8 Ų | 171.8 | 100% | 1.148 | 83% | 0.829 | S | S | * | * | 0 | 145.4 | 0 | -68.1 | -58.2 | -168.1 | 0 | 0 | 108.3 | |||||
| 2 | P | 43.4 | Very low | 31.4 | Very low | 119 Ų | 119 | 166.9 Ų | 166.9 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | cis | -85.5 | -177.4 | -29.6 | 34.4 | -25 | 0 | 0 | 0 | 110.2 | ||||
| 3 | R | 32.5 | Very low | 31.1 | Very low | 228 Ų | 228 | 160.7 Ų | 160.7 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | cis | 94.5 | 77.8 | 7.4 | -157.4 | -170.7 | -167.6 | -179.5 | 5.9 | 118.1 | ||||
| 4 | S | 30.6 | Very low | 31.1 | Very low | 110 Ų | 110 | 157.4 Ų | 157.4 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -172.3 | 159.1 | 162.5 | 45.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 5 | F | 27.8 | Very low | 30.8 | Very low | 181 Ų | 181 | 162.3 Ų | 162.3 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | cis | -162.2 | -179.6 | -36.9 | -117.4 | -66.5 | 0 | 0 | 0 | 108 | ||||
| 6 | L | 36.4 | Very low | 30.7 | Very low | 157 Ų | 157 | 161.7 Ų | 161.7 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | trans | 67.9 | 120.4 | 179.1 | -51.4 | 167.4 | 0 | 0 | 0 | 114 | ||||
| 7 | V | 30.7 | Very low | 30.5 | Very low | 110 Ų | 110 | 159 Ų | 159 | 67% | 0.667 | 81% | 0.812 | S | S | * | * | cis | 70.5 | 95.8 | 13.1 | -147.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 8 | K | 32.6 | Very low | 30.5 | Very low | 185 Ų | 185 | 159.7 Ų | 159.7 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | 172.4 | 121.2 | 111 | -90.2 | 172.3 | -170.4 | 173.9 | 0 | 114.1 | |||||
| 9 | N | 26.2 | Very low | 30.5 | Very low | 142 Ų | 142 | 161.7 Ų | 161.7 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | 27.4 | 134.2 | 139.2 | -48.7 | -1.5 | 0 | 0 | 0 | 120.9 | ||||
| 10 | K | 31.4 | Very low | 30.4 | Very low | 199 Ų | 199 | 159.1 Ų | 159.1 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | -171.9 | 150.2 | 101.7 | -97 | 155.6 | -172.4 | 177.9 | 0 | 114.9 | |||||
| 11 | R | 28.2 | Very low | 30.4 | Very low | 226 Ų | 226 | 157.1 Ų | 157.1 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -6.2 | 156.9 | 143.8 | -61.3 | -177.2 | 178.8 | 172.1 | -2.5 | 118.5 | ||||
| 12 | C | 24.6 | Very low | 30.3 | Very low | 113 Ų | 113 | 153.6 Ų | 153.6 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | cis | -171.8 | 167.1 | -11.4 | -103.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 13 | A | 27.4 | Very low | 29.6 | Very low | 86 Ų | 86 | 155.5 Ų | 155.5 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | 45.2 | 111.4 | 146.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 14 | S | 30.9 | Very low | 29.7 | Very low | 114 Ų | 114 | 153.8 Ų | 153.8 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | 40.2 | 116.7 | 123.4 | -45.6 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 15 | Y | 27 | Very low | 29.9 | Very low | 232 Ų | 232 | 155.5 Ų | 155.5 | 91% | 0.91 | 79% | 0.785 | S | S | * | * | trans | -151.2 | 136.2 | 140.6 | -117.6 | -86.4 | 0 | 0 | 0 | 110.6 | ||||
| 16 | N | 29.9 | Very low | 30.3 | Very low | 152 Ų | 152 | 155.1 Ų | 155.1 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -90.1 | 152.6 | 161 | -89.8 | -21.8 | 0 | 0 | 0 | 108.4 | ||||
| 17 | V | 27.6 | Very low | 30.4 | Very low | 116 Ų | 116 | 152 Ų | 152 | 70% | 0.703 | 78% | 0.775 | S | S | * | * | trans | 176.9 | 142 | 144.7 | 138.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 18 | H | 29.4 | Very low | 30.4 | Very low | 171 Ų | 171 | 157.6 Ų | 157.6 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | trans | 53.3 | 137.9 | 172.4 | -56.7 | -34.9 | 0 | 0 | 0 | 118.6 | ||||
| 19 | R | 30.3 | Very low | 30.7 | Very low | 198 Ų | 198 | 157.7 Ų | 157.7 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | cis | 89.5 | 95.7 | 17.7 | -162.6 | -172.9 | 177.4 | 175.3 | 0.7 | 117.2 | H21 | R19-H21 PolarHBondContact NE-NE2 3.25Å; R19-H21 PolarHBondContact NH2-NE2 3.39Å | ||
| 20 | S | 28.6 | Very low | 31.2 | Very low | 110 Ų | 110 | 156.7 Ų | 156.7 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -139.6 | 161.5 | 146.6 | -30.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 21 | H | 30.4 | Very low | 31.2 | Very low | 118 Ų | 118 | 155.2 Ų | 155.2 | 55% | 0.546 | 79% | 0.785 | S | S | . | * | cis | 69.3 | 127.1 | 18 | -64.4 | -105.7 | 0 | 0 | 0 | 115.1 | R19 | R19-H21 PolarHBondContact NE-NE2 3.25Å; R19-H21 PolarHBondContact NH2-NE2 3.39Å | ||
| 22 | E | 30.3 | Very low | 31.6 | Very low | 158 Ų | 158 | 154.7 Ų | 154.7 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | cis | -121 | -178.1 | -14.2 | -95.7 | 139.9 | -160.8 | 0 | 0 | 107.3 | ||||
| 23 | D | 29 | Very low | 31.9 | Very low | 160 Ų | 160 | 154.2 Ų | 154.2 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | -155.9 | 164.5 | 58.4 | -68.9 | -44.9 | 0 | 0 | 0 | 112.8 | |||||
| 24 | E | 35.1 | Very low | 32.1 | Very low | 191 Ų | 191 | 155.6 Ų | 155.6 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | -88.9 | 136.3 | 176.6 | -60 | -179 | 109.3 | 0 | 0 | 113.5 | ||||
| 25 | V | 34.2 | Very low | 32.2 | Very low | 146 Ų | 146 | 155.9 Ų | 155.9 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | trans | -147.7 | 107.2 | 147 | -174.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 26 | E | 36.2 | Very low | 32.4 | Very low | 173 Ų | 173 | 151.9 Ų | 151.9 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | trans | -91.2 | 162.5 | 149.7 | -119.4 | -158.5 | -169.6 | 0 | 0 | 108.1 | ||||
| 27 | P | 39 | Very low | 32.5 | Very low | 91 Ų | 91 | 150.6 Ų | 150.6 | 59% | 0.591 | 78% | 0.78 | S | S | * | * | cis | -157.6 | -176.1 | 48.9 | 45.8 | -24.8 | 0 | 0 | 0 | 118.9 | ||||
| 28 | R | 31.2 | Very low | 32.8 | Very low | 229 Ų | 229 | 150.7 Ų | 150.7 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | 75.4 | 126.6 | 151.4 | -73.8 | 159.6 | -162.3 | -108.1 | -0.6 | 120.8 | ||||
| 29 | E | 37.6 | Very low | 33.1 | Very low | 186 Ų | 186 | 151.8 Ų | 151.8 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -86.4 | 165.5 | 161.3 | -51.9 | -167.4 | 141.3 | 0 | 0 | 112.6 | ||||
| 30 | P | 37.2 | Very low | 33.5 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | trans | -110 | 135.3 | 155.8 | 35.7 | -25.6 | 0 | 0 | 0 | 112.6 | ||||
| 31 | E | 31.4 | Very low | 33.6 | Very low | 168 Ų | 168 | 151.6 Ų | 151.6 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -73.6 | 163.4 | 177.8 | -58.2 | -175 | 162.4 | 0 | 0 | 113.9 | ||||
| 32 | F | 37.3 | Very low | 33.9 | Very low | 216 Ų | 216 | 151.1 Ų | 151.1 | 95% | 0.947 | 81% | 0.807 | S | S | * | * | trans | -139.1 | 128.6 | 161 | -115.6 | -91.1 | 0 | 0 | 0 | 110.4 | ||||
| 33 | T | 31 | Very low | 34.3 | Very low | 103 Ų | 103 | 149.4 Ų | 149.4 | 63% | 0.632 | 81% | 0.81 | S | S | * | * | trans | -132.9 | 141.3 | -168.7 | 48.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 34 | S | 31.2 | Very low | 34.7 | Very low | 115 Ų | 115 | 150.6 Ų | 150.6 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | 62.6 | 166.1 | 170.8 | 74.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 35 | V | 32.6 | Very low | 34.6 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | cis | -140.9 | 165.8 | 12.5 | -78.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 36 | I | 31.5 | Very low | 34.8 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | cis | -160.3 | 148.9 | -13.1 | -110.6 | 165.8 | 0 | 0 | 0 | 107 | ||||
| 37 | S | 31.3 | Very low | 34.8 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -176 | 142.6 | 143.6 | -84.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 38 | S | 34 | Very low | 34.7 | Very low | 118 Ų | 118 | 150.8 Ų | 150.8 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -136.1 | 132.2 | -177.2 | 55.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 39 | E | 36.2 | Very low | 34.9 | Very low | 193 Ų | 193 | 145.4 Ų | 145.4 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -126.9 | 157.7 | 174.1 | -88.8 | -165.3 | 104.5 | 0 | 0 | 111.9 | ||||
| 40 | P | 38.2 | Very low | 34.9 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | trans | -88.9 | 170.6 | -157.7 | 35 | -37.7 | 0 | 0 | 0 | 115.6 | ||||
| 41 | Q | 31.8 | Very low | 34.8 | Very low | 183 Ų | 183 | 145.6 Ų | 145.6 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | trans | -93.8 | 162.4 | 177.9 | -68.2 | -177.9 | -31.2 | 0 | 0 | 113.3 | ||||
| 42 | S | 35.1 | Very low | 35.1 | Very low | 107 Ų | 107 | 144.1 Ų | 144.1 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | 75.1 | 155.3 | 157.5 | -76.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 43 | P | 39.8 | Very low | 35 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | cis | -113.3 | 169.8 | 17.9 | 41.3 | -33.1 | 0 | 0 | 0 | 117 | ||||
| 44 | E | 37 | Very low | 35.1 | Very low | 185 Ų | 185 | 141.1 Ų | 141.1 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -72.1 | 166.2 | 174.4 | -59.4 | 177.4 | 105 | 0 | 0 | 113.3 | ||||
| 45 | S | 33.3 | Very low | 35.3 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -155.7 | 153.5 | 177.3 | -86.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 46 | P | 37.8 | Very low | 35.3 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | -81.3 | 151.3 | -119.9 | -24 | 35.5 | 0 | 0 | 0 | 117.8 | R48 | P46-R48 PolarHBondContact O-N 3.25Š| |
| 47 | V | 37.3 | Very low | 35.6 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 119.2 | 167.1 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | ||
| 48 | R | 35.8 | Very low | 35.9 | Very low | 225 Ų | 225 | 141.4 Ų | 141.4 | 85% | 0.849 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -78 | 134.9 | 173.9 | -167.3 | 176.7 | -174.7 | -162.9 | 0.2 | 110 | P46 | P46-R48 PolarHBondContact O-N 3.25Š|
| 49 | P | 36.5 | Very low | 36 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 143.2 | -179.5 | -26.9 | 35 | 0 | 0 | 0 | 113.7 | S51 | P49-S51 PolarHBondContact O-N 3.48Š|
| 50 | Q | 36.7 | Very low | 36.2 | Very low | 196 Ų | 196 | 141 Ų | 141 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -67.7 | 113.6 | 169.7 | -66.9 | 179.4 | -4.8 | 0 | 0 | 109.5 | V52 | Q50-V52 PolarHBondContact O-N 3.08Š| ||
| 51 | S | 36.1 | Very low | 36.1 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -77 | 115 | 171.9 | 54.1 | 0 | 0 | 0 | 0 | 109.9 | P49 | P49-S51 PolarHBondContact O-N 3.48Š| ||
| 52 | V | 36.4 | Very low | 36.4 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 140.9 | 175.2 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | Q50 Q54 | Q50-V52 PolarHBondContact O-N 3.08Å; V52-Q54 PolarHBondContact O-N 2.84Å |
| 53 | G | 35.7 | Very low | 36.5 | Very low | 72 Ų | 72 | 140.9 Ų | 140.9 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -61 | 132.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 54 | Q | 33.6 | Very low | 36.4 | Very low | 183 Ų | 183 | 139 Ų | 139 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -93 | 144.1 | 163.7 | -62.9 | -172.8 | -79.9 | 0 | 0 | 109.5 | V52 | V52-Q54 PolarHBondContact O-N 2.84Š|
| 55 | P | 33.9 | Very low | 36.2 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 140 | 178.5 | 27.5 | -34.5 | 0 | 0 | 0 | 111.3 | L57 | P55-L57 PolarHBondContact O-N 3.37Å; P55-L57 VanDerWaalsContact O-N 3.08Å |
| 56 | S | 33.3 | Very low | 36.5 | Very low | 120 Ų | 120 | 140 Ų | 140 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | trans | -67.8 | 104 | 178.3 | 52.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 57 | L | 38.4 | Very low | 36.2 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 140 | 162.7 | -66.6 | 172.9 | 0 | 0 | 0 | 109.3 | P55 | P55-L57 PolarHBondContact O-N 3.37Å; P55-L57 VanDerWaalsContact O-N 3.08Å |
| 58 | P | 36.5 | Very low | 36.1 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 141.7 | -177.3 | 27 | -34.6 | 0 | 0 | 0 | 111.7 | ||
| 59 | E | 37.4 | Very low | 35.9 | Very low | 190 Ų | 190 | 140.2 Ų | 140.2 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 134.3 | 174.5 | -65.7 | -160.2 | 143.6 | 0 | 0 | 110.9 | D61 | E59-D61 PolarHBondContact O-N 2.9Š|
| 60 | P | 38.5 | Very low | 35.7 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 130 | 175.8 | 28.8 | -33.4 | 0 | 0 | 0 | 111.1 | ||
| 61 | D | 36.8 | Very low | 35.5 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 51% | 0.508 | 76% | 0.759 | S | S | . | * | P | Polyproline II helix | trans | -50.7 | 125.3 | 178.3 | 174.7 | -5.4 | 0 | 0 | 0 | 111.3 | E59 Y63 S64 | E59-D61 PolarHBondContact O-N 2.9Å; D61-Y63 PolarHBondContact O-N 3.35Å; D61-Y63 PolarHBondContact OD1-N 3.33Å; D61-S64 PolarHBondContact O-N 3.34Å; D61-S64 PolarHBondContact O-OG 3.05Å |
| 62 | P | 38 | Very low | 35.3 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -5.7 | 179.4 | 25.6 | -35.5 | 0 | 0 | 0 | 115.4 | ||
| 63 | Y | 37.9 | Very low | 35.1 | Very low | 203 Ų | 203 | 144 Ų | 144 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | -4.4 | 174 | -71.7 | -82.8 | 0 | 0 | 0 | 115.3 | D61 Y65 | D61-Y63 PolarHBondContact O-N 3.35Å; D61-Y63 PolarHBondContact OD1-N 3.33Å; Y63-Y65 VanDerWaalsContact C-N 3.25Å; Y63-Y65 PolarHBondContact O-N 3.44Å |
| 64 | S | 37.4 | Very low | 35.1 | Very low | 83 Ų | 83 | 149.4 Ų | 149.4 | 58% | 0.58 | 76% | 0.757 | S | S | * | * | trans | -79.4 | 29.8 | -168.2 | 81.6 | 0 | 0 | 0 | 0 | 116.6 | D61 | D61-S64 PolarHBondContact O-N 3.34Å; D61-S64 PolarHBondContact O-OG 3.05Å | ||
| 65 | Y | 33.6 | Very low | 34.9 | Very low | 171 Ų | 171 | 146.5 Ų | 146.5 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | trans | -128.7 | 68.5 | -177.4 | -145.2 | -90.1 | 0 | 0 | 0 | 114.4 | Y63 K67 | Y63-Y65 VanDerWaalsContact C-N 3.25Å; Y63-Y65 PolarHBondContact O-N 3.44Å; Y65-K67 HydrophobicContact CE1-CB 4.45Å; Y65-K67 HydrophobicContact CE1-CD 4.3Å; Y65-K67 HydrophobicContact CE1-CG 4.1Å; Y65-K67 HydrophobicContact CE2-CD 4.42Å; Y65-K67 HydrophobicContact CE2-CG 4.29Å; Y65-K67 WeakPolarHBondContact OH-CD 3.14Å; Y65-K67 VanDerWaalsContact OH-CE 3.23Å; Y65-K67 WeakPolarHBondContact OH-CE 3.39Å; Y65-K67 PolarHBondContact OH-NZ 2.94Å | ||
| 66 | I | 38.7 | Very low | 34.9 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | trans | -106.3 | 93 | 147.8 | -59 | 178.6 | 0 | 0 | 0 | 106.7 | H68 | I66-H68 PolarHBondContact O-N 3.12Š| ||
| 67 | K | 31.2 | Very low | 34.8 | Very low | 142 Ų | 142 | 145.9 Ų | 145.9 | 62% | 0.617 | 74% | 0.744 | S | S | * | * | trans | -70.4 | 125.2 | 160.9 | -84.4 | -166.7 | 177.3 | 174.5 | 0 | 108.1 | Y65 E69 | Y65-K67 HydrophobicContact CE1-CB 4.45Å; Y65-K67 HydrophobicContact CE1-CD 4.3Å; Y65-K67 HydrophobicContact CE1-CG 4.1Å; Y65-K67 HydrophobicContact CE2-CD 4.42Å; Y65-K67 HydrophobicContact CE2-CG 4.29Å; Y65-K67 WeakPolarHBondContact OH-CD 3.14Å; Y65-K67 VanDerWaalsContact OH-CE 3.23Å; Y65-K67 WeakPolarHBondContact OH-CE 3.39Å; Y65-K67 PolarHBondContact OH-NZ 2.94Å; K67-E69 PolarHBondContact O-N 3.29Å; K67-E69 VanDerWaalsContact O-N 3.13Å | ||
| 68 | H | 34.7 | Very low | 34.4 | Very low | 174 Ų | 174 | 144 Ų | 144 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | trans | -72.6 | 95.3 | 159.4 | -80 | -104.6 | 0 | 0 | 0 | 108 | I66 Q70 | I66-H68 PolarHBondContact O-N 3.12Å; H68-Q70 PolarHBondContact O-N 3.27Å | ||
| 69 | E | 32 | Very low | 34.3 | Very low | 180 Ų | 180 | 148.5 Ų | 148.5 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | trans | -72.3 | 116.5 | 157 | -66.2 | -178.2 | 133.6 | 0 | 0 | 106.8 | K67 E71 | K67-E69 PolarHBondContact O-N 3.29Å; K67-E69 VanDerWaalsContact O-N 3.13Å; E69-E71 PolarHBondContact O-N 2.96Å | ||
| 70 | Q | 32.6 | Very low | 34 | Very low | 189 Ų | 189 | 147.3 Ų | 147.3 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | trans | -70.7 | 112.5 | 175.3 | -70.4 | 172 | -50.4 | 0 | 0 | 108.3 | H68 | H68-Q70 PolarHBondContact O-N 3.27Š| ||
| 71 | E | 33.4 | Very low | 33.7 | Very low | 148 Ų | 148 | 151.6 Ų | 151.6 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 135.9 | 164 | -77.7 | -163.8 | 101.1 | 0 | 0 | 108.6 | E69 R74 | E69-E71 PolarHBondContact O-N 2.96Å; E71-R74 IonicContact OE1-NH2 2.91Å; E71-R74 PolarHBondContact OE1-NH2 3.13Å |
| 72 | P | 30.7 | Very low | 33.9 | Very low | 111 Ų | 111 | 153.1 Ų | 153.1 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -64 | 138.2 | 172.2 | 27.8 | -34 | 0 | 0 | 0 | 109.6 | R74 | P72-R74 PolarHBondContact O-N 3.22Š|
| 73 | E | 33.7 | Very low | 33.8 | Very low | 197 Ų | 197 | 153.9 Ų | 153.9 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 133.8 | -174.3 | -61.4 | -150 | 151.9 | 0 | 0 | 111.9 | ||
| 74 | R | 33.9 | Very low | 34 | Very low | 186 Ų | 186 | 148.3 Ų | 148.3 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | trans | -109.2 | 139.4 | 168 | -84.1 | 176.9 | -75.1 | -150 | -7.8 | 108.9 | E71 P72 | E71-R74 IonicContact OE1-NH2 2.91Å; E71-R74 PolarHBondContact OE1-NH2 3.13Å; P72-R74 PolarHBondContact O-N 3.22Å | ||
| 75 | P | 30.2 | Very low | 33.9 | Very low | 122 Ų | 122 | 152.5 Ų | 152.5 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -62.7 | 139 | -168.2 | 24.6 | -34.8 | 0 | 0 | 0 | 112.3 | P77 | P75-P77 WeakPolarHBondContact O-CD 3.35Š| ||
| 76 | V | 33.3 | Very low | 33.8 | Very low | 134 Ų | 134 | 150.7 Ų | 150.7 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -73.5 | 123.4 | -177.7 | -169.7 | 0 | 0 | 0 | 0 | 110.2 | S78 | V76-S78 PolarHBondContact O-N 2.7Š| ||
| 77 | P | 31 | Very low | 33.7 | Very low | 90 Ų | 90 | 150.4 Ų | 150.4 | 58% | 0.584 | 80% | 0.8 | S | S | * | * | trans | -68.6 | 115 | 172.5 | -19.9 | 33.9 | 0 | 0 | 0 | 110.9 | P75 Y79 | P75-P77 WeakPolarHBondContact O-CD 3.35Å; P77-Y79 HydrophobicContact CB-CD2 4.21Å; P77-Y79 HydrophobicContact CB-CE2 3.7Å; P77-Y79 WeakPolarHBondContact O-CD2 3.23Å; P77-Y79 PolarHBondContact O-N 3.17Å; P77-Y79 VanDerWaalsContact O-N 3.08Å | ||
| 78 | S | 31.1 | Very low | 33.8 | Very low | 117 Ų | 117 | 147.5 Ų | 147.5 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -77 | 91.9 | -176.4 | 58.7 | 0 | 0 | 0 | 0 | 112.4 | V76 L80 | V76-S78 PolarHBondContact O-N 2.7Å; S78-L80 PolarHBondContact O-N 3.48Å | ||
| 79 | Y | 33.5 | Very low | 33.8 | Very low | 214 Ų | 214 | 145.1 Ų | 145.1 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -88.2 | 72.7 | 173.8 | -69.7 | -72.2 | 0 | 0 | 0 | 112.4 | P77 | P77-Y79 HydrophobicContact CB-CD2 4.21Å; P77-Y79 HydrophobicContact CB-CE2 3.7Å; P77-Y79 WeakPolarHBondContact O-CD2 3.23Å; P77-Y79 PolarHBondContact O-N 3.17Å; P77-Y79 VanDerWaalsContact O-N 3.08Å | ||
| 80 | L | 31.6 | Very low | 33.8 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -119.4 | 117.8 | 160.8 | -79.1 | 173.5 | 0 | 0 | 0 | 109.9 | S78 | S78-L80 PolarHBondContact O-N 3.48Š| ||
| 81 | K | 32.3 | Very low | 33.7 | Very low | 202 Ų | 202 | 137.4 Ų | 137.4 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | trans | -133.3 | 145.4 | 152.2 | -85.8 | -163.8 | 172.9 | -173.9 | 0 | 109.5 | ||||
| 82 | P | 40.2 | Very low | 33.8 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -107 | 104.7 | -163.6 | 36 | -25.7 | 0 | 0 | 0 | 112.8 | ||||
| 83 | T | 36.3 | Very low | 33.9 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -148.1 | 119.9 | 162.8 | 42.1 | 0 | 0 | 0 | 0 | 109.9 | Q85 | T83-Q85 PolarHBondContact O-N 2.74Š| ||
| 84 | G | 43.7 | Very low | 33.9 | Very low | 87 Ų | 87 | 142 Ų | 142 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -82 | 98.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 85 | Q | 35 | Very low | 34.2 | Very low | 170 Ų | 170 | 144.2 Ų | 144.2 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -139 | 146.5 | 166.1 | -75.7 | -170.5 | -26.2 | 0 | 0 | 110.1 | T83 | T83-Q85 PolarHBondContact O-N 2.74Š| ||
| 86 | P | 31.8 | Very low | 34.6 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 132.5 | -176.3 | 28.8 | -34.4 | 0 | 0 | 0 | 111.8 | ||
| 87 | V | 34.6 | Very low | 34.7 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 127.8 | 175.9 | -171.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 88 | A | 34.3 | Very low | 35 | Very low | 80 Ų | 80 | 147.3 Ų | 147.3 | 66% | 0.661 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62 | 145 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A90 | A88-A90 PolarHBondContact O-N 2.76Š|
| 89 | P | 34.7 | Very low | 35.3 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 136 | 179.8 | 26.5 | -34.4 | 0 | 0 | 0 | 111.2 | ||
| 90 | A | 32.5 | Very low | 35.5 | Very low | 91 Ų | 91 | 142.3 Ų | 142.3 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 142.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | A88 | A88-A90 PolarHBondContact O-N 2.76Š|
| 91 | P | 30.2 | Very low | 35.9 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 146.4 | 178.9 | 26 | -34.2 | 0 | 0 | 0 | 111.6 | ||
| 92 | R | 34.9 | Very low | 36 | Very low | 222 Ų | 222 | 136.9 Ų | 136.9 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60 | 148.2 | 177.6 | -65.6 | -177.8 | 178.3 | -165.3 | -0.7 | 110.7 | Y94 | R92-Y94 PolarHBondContact O-N 3.5Š|
| 93 | P | 33.8 | Very low | 35.6 | Very low | 126 Ų | 126 | 139 Ų | 139 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -65.4 | 111 | 176.8 | 27.2 | -33.9 | 0 | 0 | 0 | 110.3 | ||||
| 94 | Y | 32.7 | Very low | 35.6 | Very low | 205 Ų | 205 | 141.2 Ų | 141.2 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -65.4 | 137.5 | 170.1 | -81.8 | -104 | 0 | 0 | 0 | 110.1 | R92 L96 | R92-Y94 PolarHBondContact O-N 3.5Å; Y94-L96 PolarHBondContact O-N 3.02Å | ||
| 95 | Y | 40.4 | Very low | 35.2 | Very low | 233 Ų | 233 | 142.1 Ų | 142.1 | 91% | 0.914 | 77% | 0.772 | S | S | * | * | trans | -63.7 | 113.6 | 153.3 | -84.2 | -106.2 | 0 | 0 | 0 | 107.2 | S97 | Y95-S97 PolarHBondContact O-N 2.91Š| ||
| 96 | L | 37.8 | Very low | 35.2 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 71% | 0.707 | 77% | 0.773 | S | S | * | * | trans | -72.6 | 125.6 | 174.2 | -91 | 163.3 | 0 | 0 | 0 | 109.5 | Y94 | Y94-L96 PolarHBondContact O-N 3.02Š| ||
| 97 | S | 37 | Very low | 35.5 | Very low | 92 Ų | 92 | 142.6 Ų | 142.6 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | trans | -72 | 166 | 174.6 | 54.1 | 0 | 0 | 0 | 0 | 111.9 | Y95 A99 | Y95-S97 PolarHBondContact O-N 2.91Å; S97-A99 PolarHBondContact O-N 3.26Å | ||
| 98 | E | 37.3 | Very low | 35.7 | Very low | 184 Ų | 184 | 143.8 Ų | 143.8 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -59.5 | -19.7 | -171.1 | -59.9 | -177.2 | 109.3 | 0 | 0 | 114.8 | H100 M101 | E98-H100 VanDerWaalsContact C-N 3.26Å; E98-H100 PolarHBondContact O-N 2.95Å; E98-H100 VanDerWaalsContact O-N 3.15Å; E98-M101 WeakPolarHBondContact O-CB 3.43Å; E98-M101 PolarHBondContact O-N 2.86Å; E98-M101 VanDerWaalsContact O-N 3.17Å |
| 99 | A | 36 | Very low | 35.5 | Very low | 83 Ų | 83 | 149.7 Ų | 149.7 | 69% | 0.686 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -57.3 | -30.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S97 M101 | S97-A99 PolarHBondContact O-N 3.26Å; A99-M101 PolarHBondContact O-N 3.4Å |
| 100 | H | 38.1 | Very low | 35.2 | Very low | 142 Ų | 142 | 148.4 Ų | 148.4 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -79 | 3.4 | -178.6 | -103.5 | 127.2 | 0 | 0 | 0 | 114.8 | E98 | E98-H100 VanDerWaalsContact C-N 3.26Å; E98-H100 PolarHBondContact O-N 2.95Å; E98-H100 VanDerWaalsContact O-N 3.15Å |
| 101 | M | 39.3 | Very low | 35.2 | Very low | 168 Ų | 168 | 147.9 Ų | 147.9 | 83% | 0.828 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -85.8 | -2 | -179.9 | -70.6 | -70.5 | 154.8 | 0 | 0 | 114.7 | E98 A99 | E98-M101 WeakPolarHBondContact O-CB 3.43Å; E98-M101 PolarHBondContact O-N 2.86Å; E98-M101 VanDerWaalsContact O-N 3.17Å; A99-M101 PolarHBondContact O-N 3.4Å |
| 102 | A | 35.6 | Very low | 35.3 | Very low | 87 Ų | 87 | 152 Ų | 152 | 72% | 0.719 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -86.2 | -24.4 | -165.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 103 | E | 31.3 | Very low | 34.9 | Very low | 170 Ų | 170 | 145.8 Ų | 145.8 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -95.9 | 8.6 | -164.6 | -61.5 | -167.2 | 153.8 | 0 | 0 | 115.9 | ||
| 104 | F | 36.6 | Very low | 34.7 | Very low | 175 Ų | 175 | 150 Ų | 150 | 77% | 0.768 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -122.4 | 142 | 178.6 | -72.2 | -79.9 | 0 | 0 | 0 | 113 | ||
| 105 | P | 36 | Very low | 34.5 | Very low | 107 Ų | 107 | 145.8 Ų | 145.8 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | trans | -66.9 | 152.1 | -165.1 | 23.9 | -34.2 | 0 | 0 | 0 | 114.6 | F107 | P105-F107 VanDerWaalsContact C-N 3.27Å; P105-F107 PolarHBondContact O-N 2.83Å | ||
| 106 | P | 34.2 | Very low | 34 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -81.7 | 45.8 | -155.4 | 34.4 | -40.1 | 0 | 0 | 0 | 115.5 | ||
| 107 | F | 38 | Very low | 33.6 | Very low | 191 Ų | 191 | 142 Ų | 142 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | trans | -114.2 | 25.8 | -174.5 | -81.4 | -76 | 0 | 0 | 0 | 115.9 | P105 | P105-F107 VanDerWaalsContact C-N 3.27Å; P105-F107 PolarHBondContact O-N 2.83Å | ||
| 108 | Y | 38.1 | Very low | 33.3 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 65% | 0.647 | 75% | 0.748 | S | S | * | * | trans | -153.5 | 105.2 | 158 | -139.7 | -103.8 | 0 | 0 | 0 | 113.6 | P110 I296 | Y108-P110 HydrophobicContact CD1-CG 4.26Å; Y108-I296 WeakPolarHBondContact OH-CD1 3.41Å | ||
| 109 | K | 31 | Very low | 33 | Very low | 205 Ų | 205 | 137.3 Ų | 137.3 | 89% | 0.891 | 74% | 0.739 | S | S | * | * | trans | -102.8 | 108.9 | 163.2 | -76.2 | -167.3 | 175.8 | -173.5 | 0 | 109.7 | S111 | K109-S111 PolarHBondContact O-N 3Š| ||
| 110 | P | 28.5 | Very low | 32.9 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 62% | 0.623 | 75% | 0.747 | S | S | * | * | trans | -64.8 | 127.9 | 173.6 | -19.4 | 32.4 | 0 | 0 | 0 | 111 | Y108 Y112 | Y108-P110 HydrophobicContact CD1-CG 4.26Å; P110-Y112 PolarHBondContact O-N 2.84Å | ||
| 111 | S | 32.5 | Very low | 32.7 | Very low | 81 Ų | 81 | 142.9 Ų | 142.9 | 57% | 0.566 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -74.9 | 24.6 | -178.6 | -179.1 | 0 | 0 | 0 | 0 | 114.4 | K109 K203 | K109-S111 PolarHBondContact O-N 3Å; S111-K203 PolarHBondContact OG-NZ 3.32Å |
| 112 | Y | 31.9 | Very low | 32.2 | Very low | 201 Ų | 201 | 141.8 Ų | 141.8 | 79% | 0.788 | 75% | 0.752 | S | S | * | * | trans | -147.8 | 73.9 | -176.2 | -65.2 | -75.9 | 0 | 0 | 0 | 111.4 | P110 | P110-Y112 PolarHBondContact O-N 2.84Š| ||
| 113 | A | 26.6 | Very low | 32.1 | Very low | 93 Ų | 93 | 145.8 Ų | 145.8 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -79.9 | 147.7 | 148.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 114 | W | 29.6 | Very low | 32.2 | Very low | 213 Ų | 213 | 147.6 Ų | 147.6 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | -129.4 | 18 | -172.5 | 37.7 | -93.2 | 0 | 0 | 0 | 112.9 | ||||
| 115 | D | 27.6 | Very low | 31.9 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | trans | -106.6 | 77.5 | -168.2 | -55.9 | -80.7 | 0 | 0 | 0 | 111.7 | ||||
| 116 | S | 30.3 | Very low | 31.7 | Very low | 116 Ų | 116 | 153 Ų | 153 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -172.4 | 87.3 | 156.5 | -81.6 | 0 | 0 | 0 | 0 | 109 | P118 | S116-P118 WeakPolarHBondContact O-CD 3.47Š| ||
| 117 | L | 30.2 | Very low | 31.4 | Very low | 172 Ų | 172 | 150.8 Ų | 150.8 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 118.5 | 164.3 | -72.7 | 171.3 | 0 | 0 | 0 | 108.7 | ||
| 118 | P | 29.9 | Very low | 31.1 | Very low | 98 Ų | 98 | 147 Ų | 147 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 146.2 | 159.6 | -14.7 | 30.5 | 0 | 0 | 0 | 109.8 | S116 Y121 | S116-P118 WeakPolarHBondContact O-CD 3.47Å; P118-Y121 HydrophobicContact CB-CE2 4.17Å |
| 119 | A | 32.6 | Very low | 30.9 | Very low | 80 Ų | 80 | 145 Ų | 145 | 66% | 0.661 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 156.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y121 | A119-Y121 PolarHBondContact O-N 3.2Š|
| 120 | P | 34 | Very low | 31.1 | Very low | 134 Ų | 134 | 141 Ų | 141 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 127.4 | -174.9 | 24.4 | -34.6 | 0 | 0 | 0 | 112 | ||
| 121 | Y | 32.1 | Very low | 31.2 | Very low | 208 Ų | 208 | 147.1 Ų | 147.1 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 133.5 | 173.4 | -87 | -102.3 | 0 | 0 | 0 | 110.7 | P118 A119 | P118-Y121 HydrophobicContact CB-CE2 4.17Å; A119-Y121 PolarHBondContact O-N 3.2Å |
| 122 | D | 29 | Very low | 31.1 | Very low | 145 Ų | 145 | 151.4 Ų | 151.4 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75 | 132.8 | -179.3 | -166.3 | -5.5 | 0 | 0 | 0 | 111.7 | R124 | D122-R124 PolarHBondContact O-N 3.14Š|
| 123 | L | 34.9 | Very low | 31 | Very low | 172 Ų | 172 | 148 Ų | 148 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | trans | -94 | 55.6 | -170.7 | -100.2 | 168.4 | 0 | 0 | 0 | 112 | ||||
| 124 | R | 32.6 | Very low | 31.1 | Very low | 207 Ų | 207 | 150.6 Ų | 150.6 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | trans | -137.4 | 72.9 | 179.2 | -72.3 | -168.8 | 172.6 | -177.8 | 0.1 | 115.4 | D122 | D122-R124 PolarHBondContact O-N 3.14Š| ||
| 125 | Q | 31.2 | Very low | 31.1 | Very low | 201 Ų | 201 | 149 Ų | 149 | 94% | 0.939 | 80% | 0.8 | S | S | * | * | -167.4 | 147.3 | 125.9 | -104.4 | 150.4 | 106.7 | 0 | 0 | 111.5 | |||||
| 126 | M | 29.9 | Very low | 31.1 | Very low | 196 Ų | 196 | 147.6 Ų | 147.6 | 97% | 0.966 | 80% | 0.804 | S | S | * | * | trans | -97.9 | 147.9 | -175.7 | -61.2 | -178.9 | -174.5 | 0 | 0 | 111.5 | ||||
| 127 | G | 29.3 | Very low | 31.1 | Very low | 75 Ų | 75 | 147.5 Ų | 147.5 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -164.7 | 70.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 128 | S | 30.8 | Very low | 31.1 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 138.5 | -176.7 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | ||
| 129 | P | 35.2 | Very low | 31.2 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 135.3 | -175.7 | 31.8 | -34.6 | 0 | 0 | 0 | 112.8 | ||
| 130 | P | 35 | Very low | 31 | Very low | 123 Ų | 123 | 154.8 Ų | 154.8 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 116.7 | 166.4 | 31.6 | -30.4 | 0 | 0 | 0 | 111 | ||
| 131 | Y | 29.6 | Very low | 30.7 | Very low | 223 Ų | 223 | 152 Ų | 152 | 88% | 0.875 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 136.5 | 150.3 | -116.6 | -100.5 | 0 | 0 | 0 | 108.3 | ||
| 132 | L | 30.1 | Very low | 30.6 | Very low | 171 Ų | 171 | 147.1 Ų | 147.1 | 90% | 0.895 | 82% | 0.818 | S | S | * | * | trans | -158.4 | 158.1 | 148.5 | -115.4 | 178 | 0 | 0 | 0 | 112.1 | ||||
| 133 | L | 30.2 | Very low | 30.7 | Very low | 131 Ų | 131 | 148.7 Ų | 148.7 | 69% | 0.686 | 82% | 0.82 | S | S | * | * | trans | -108.9 | 143 | -175 | -141.9 | 76.5 | 0 | 0 | 0 | 109.9 | ||||
| 134 | Q | 29.5 | Very low | 30.6 | Very low | 147 Ų | 147 | 147.4 Ų | 147.4 | 69% | 0.687 | 82% | 0.819 | S | S | * | * | trans | 58.6 | 119.4 | 140.8 | -161.8 | 166.8 | 8.6 | 0 | 0 | 119.4 | ||||
| 135 | H | 29.1 | Very low | 30.5 | Very low | 180 Ų | 180 | 144.3 Ų | 144.3 | 83% | 0.833 | 82% | 0.818 | S | S | * | * | -169.2 | 173 | 107.9 | -108 | -81.5 | 0 | 0 | 0 | 111.4 | |||||
| 136 | A | 27.9 | Very low | 30.6 | Very low | 86 Ų | 86 | 143.8 Ų | 143.8 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | -118.4 | 179 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 137 | S | 29.8 | Very low | 30.6 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 92.3 | 92.6 | 161.6 | -55.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 138 | S | 30 | Very low | 30.7 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | 66.8 | 118.4 | 120.1 | -159.6 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 139 | L | 32.7 | Very low | 30.6 | Very low | 177 Ų | 177 | 144.6 Ų | 144.6 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | trans | -135.7 | 159.7 | 140.4 | -80.9 | -177 | 0 | 0 | 0 | 110.1 | ||||
| 140 | Y | 28.9 | Very low | 30.4 | Very low | 225 Ų | 225 | 144.2 Ų | 144.2 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | -83.4 | 146.1 | -164.4 | -94.4 | -121.3 | 0 | 0 | 0 | 115.3 | ||||
| 141 | G | 27 | Very low | 30.2 | Very low | 76 Ų | 76 | 147.2 Ų | 147.2 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | 103.1 | 98.2 | 114.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 142 | A | 30.6 | Very low | 30.3 | Very low | 106 Ų | 106 | 145 Ų | 145 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | trans | -164.9 | 138 | 135.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 143 | Q | 29.7 | Very low | 30.5 | Very low | 178 Ų | 178 | 143 Ų | 143 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -101.1 | 132.7 | 176.6 | -68.6 | 169.6 | -94.5 | 0 | 0 | 111 | ||||
| 144 | V | 32.8 | Very low | 30.7 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 87% | 0.873 | 81% | 0.811 | S | S | * | * | trans | -132.9 | 130.9 | 151.2 | -72.7 | 0 | 0 | 0 | 0 | 108.6 | H146 | V144-H146 PolarHBondContact O-N 3.44Š| ||
| 145 | N | 30.6 | Very low | 30.8 | Very low | 142 Ų | 142 | 143 Ų | 143 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | -89 | 106.3 | -169.8 | -66.2 | -38.3 | 0 | 0 | 0 | 111.6 | ||||
| 146 | H | 33.1 | Very low | 31.3 | Very low | 190 Ų | 190 | 139.7 Ų | 139.7 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | trans | -128.3 | 126 | 153.9 | -83.1 | -8.5 | 0 | 0 | 0 | 109.6 | V144 | V144-H146 PolarHBondContact O-N 3.44Š| ||
| 147 | S | 30.4 | Very low | 32.3 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -78.1 | 122.5 | -177.7 | -167.9 | 0 | 0 | 0 | 0 | 109.7 | E149 | S147-E149 PolarHBondContact O-N 3.45Š| ||
| 148 | P | 31.7 | Very low | 33.4 | Very low | 118 Ų | 118 | 139 Ų | 139 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -72.8 | 113.7 | 169.9 | 29.4 | -30.6 | 0 | 0 | 0 | 109 | ||||
| 149 | E | 29.9 | Very low | 34.4 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -51 | 132.3 | 169.3 | -173.1 | -177.1 | 130.7 | 0 | 0 | 110.3 | S147 Q151 | S147-E149 PolarHBondContact O-N 3.45Å; E149-Q151 PolarHBondContact O-N 3.13Å | ||
| 150 | P | 30.4 | Very low | 35.6 | Very low | 114 Ų | 114 | 137 Ų | 137 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | trans | -71 | 93.3 | -178.6 | 29 | -34.1 | 0 | 0 | 0 | 110 | Q152 | P150-Q152 PolarHBondContact O-N 3.26Å; P150-Q152 VanDerWaalsContact O-N 3.12Å | ||
| 151 | Q | 30.6 | Very low | 36.9 | Very low | 185 Ų | 185 | 129.5 Ų | 129.5 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 120.3 | 174.4 | -70.4 | -172 | -17.5 | 0 | 0 | 109.6 | E149 | E149-Q151 PolarHBondContact O-N 3.13Š|
| 152 | Q | 30.8 | Very low | 38.3 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 139.6 | -171.5 | -63.2 | 178.9 | -48 | 0 | 0 | 110.8 | P150 L154 | P150-Q152 PolarHBondContact O-N 3.26Å; P150-Q152 VanDerWaalsContact O-N 3.12Å; Q152-L154 PolarHBondContact O-N 2.97Å |
| 153 | P | 34 | Very low | 39.5 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 83% | 0.831 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -56 | 129.9 | 172.1 | -24.1 | 34.1 | 0 | 0 | 0 | 110.8 | D155 | P153-D155 PolarHBondContact O-N 3Š|
| 154 | L | 35.5 | Very low | 40.8 | Very low | 163 Ų | 163 | 126.7 Ų | 126.7 | 85% | 0.853 | 71% | 0.709 | S | S | * | * | trans | -62.8 | 108.4 | 172.3 | -76.3 | 164.5 | 0 | 0 | 0 | 109.3 | Q152 C156 | Q152-L154 PolarHBondContact O-N 2.97Å; L154-C156 PolarHBondContact O-N 3.15Å | ||
| 155 | D | 31.7 | Very low | 42.6 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 62% | 0.62 | 71% | 0.708 | S | S | * | * | trans | -61.7 | 125.3 | 177.2 | -175.4 | 16.5 | 0 | 0 | 0 | 110.6 | P153 S157 | P153-D155 PolarHBondContact O-N 3Å; D155-S157 WeakPolarHBondContact OD1-CB 3.41Å; D155-S157 PolarHBondContact OD1-N 2.95Å; D155-S157 PolarHBondContact OD1-OG 3.09Å | ||
| 156 | C | 39.9 | Very low | 45 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 75% | 0.75 | 68% | 0.683 | S | S | * | * | trans | -131.7 | 20.7 | 177.7 | -66.3 | 0 | 0 | 0 | 0 | 111.3 | L154 T158 | L154-C156 PolarHBondContact O-N 3.15Å; C156-T158 PolarHBondContact O-N 2.86Å | ||
| 157 | S | 48.5 | Very low | 47.4 | Very low | 85 Ų | 85 | 115.9 Ų | 115.9 | 59% | 0.594 | 65% | 0.651 | S | S | * | * | trans | -83.5 | -4.3 | -161.8 | -47.4 | 0 | 0 | 0 | 0 | 115.4 | D155 | D155-S157 WeakPolarHBondContact OD1-CB 3.41Å; D155-S157 PolarHBondContact OD1-N 2.95Å; D155-S157 PolarHBondContact OD1-OG 3.09Å | ||
| 158 | T | 51.7 | Low | 49.9 | Very low | 102 Ų | 102 | 112.7 Ų | 112.7 | 63% | 0.626 | 62% | 0.622 | S | S | * | * | trans | -123.6 | 25.2 | -155.2 | 49.3 | 0 | 0 | 0 | 0 | 116 | C156 | C156-T158 PolarHBondContact O-N 2.86Š| ||
| 159 | H | 51.2 | Low | 52.4 | Low | 131 Ų | 131 | 107.1 Ų | 107.1 | 61% | 0.606 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -127.1 | 38.3 | -178.2 | -71.6 | -19.8 | 0 | 0 | 0 | 115.8 | ||
| 160 | Y | 58 | Low | 54.9 | Low | 104 Ų | 104 | 104 Ų | 104 | 41% | 0.408 | 57% | 0.574 | S | S | . | * | trans | -149.5 | 158.4 | 169.6 | 71.3 | -67.1 | 0 | 0 | 0 | 111.7 | L162 Y167 | Y160-L162 HydrophobicContact CD2-CD2 4.25Å; Y160-L162 HydrophobicContact CD2-CG 4.02Å; Y160-L162 HydrophobicContact CE2-CD1 3.91Å; Y160-L162 HydrophobicContact CE2-CD2 3.83Å; Y160-L162 HydrophobicContact CE2-CG 3.56Å; Y160-Y167 AromaticContact CD2-CD1 3.57Å; Y160-Y167 HydrophobicContact CD2-CD1 3.57Å; Y160-Y167 AromaticContact CD2-CE1 4Å; Y160-Y167 HydrophobicContact CD2-CE1 4Å; Y160-Y167 AromaticContact CE2-CD1 3.82Å; Y160-Y167 HydrophobicContact CE2-CD1 3.82Å; Y160-Y167 AromaticContact CE2-CE1 3.73Å; Y160-Y167 HydrophobicContact CE2-CE1 3.73Å; Y160-Y167 HydrophobicContact CG-CD1 4.36Å | ||
| 161 | S | 57.8 | Low | 57.4 | Low | 66 Ų | 66 | 103 Ų | 103 | 46% | 0.462 | 57% | 0.566 | S | S | . | * | trans | -117.6 | 125.3 | 171.5 | -54.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 162 | L | 55.2 | Low | 60 | Low | 115 Ų | 115 | 96.2 Ų | 96.2 | 60% | 0.602 | 54% | 0.538 | S | S | * | . | B | Isolated β-bridge | trans | -84.2 | 115.9 | 172.8 | -75.2 | 166.9 | 0 | 0 | 0 | 109.3 | Y160 Y167 | Y160-L162 HydrophobicContact CD2-CD2 4.25Å; Y160-L162 HydrophobicContact CD2-CG 4.02Å; Y160-L162 HydrophobicContact CE2-CD1 3.91Å; Y160-L162 HydrophobicContact CE2-CD2 3.83Å; Y160-L162 HydrophobicContact CE2-CG 3.56Å; L162-Y167 HydrophobicContact CD2-CE1 4.26Å |
| 163 | T | 55.9 | Low | 62.4 | Low | 95 Ų | 95 | 93.7 Ų | 93.7 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -122.5 | -44.8 | 177.9 | 48.8 | 0 | 0 | 0 | 0 | 111.5 | H168 | T163-H168 PolarHBondContact OG1-CD2 3.39Å; T163-H168 PolarHBondContact OG1-NE2 3.44Å; T163-H168 VanDerWaalsContact OG1-NE2 3.17Å |
| 164 | S | 57.4 | Low | 64.9 | Low | 92 Ų | 92 | 92.8 Ų | 92.8 | 64% | 0.643 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -163.4 | 101.7 | 171.9 | -65.2 | 0 | 0 | 0 | 0 | 111.1 | T166 | S164-T166 WeakPolarHBondContact O-CB 3.46Å; S164-T166 PolarHBondContact O-N 3.46Å; S164-T166 PolarHBondContact O-OG1 2.99Å |
| 165 | D | 70.1 | Confident | 67.4 | Low | 158 Ų | 158 | 88.9 Ų | 88.9 | 85% | 0.845 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 41.7 | 23.7 | 173.1 | -71.7 | -6.1 | 0 | 0 | 0 | 117.7 | ||
| 166 | T | 81 | Confident | 70 | Confident | 38 Ų | 38 | 85.6 Ų | 85.6 | 23% | 0.233 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -147.5 | 154.6 | -172.5 | 54.7 | 0 | 0 | 0 | 0 | 110.8 | S164 V175 F176 | S164-T166 WeakPolarHBondContact O-CB 3.46Å; S164-T166 PolarHBondContact O-N 3.46Å; S164-T166 PolarHBondContact O-OG1 2.99Å; T166-V175 VanDerWaalsContact CB-CG1 3.5Å; T166-V175 HydrophobicContact CG2-CG1 3.89Å; T166-F176 WeakPolarHBondContact CA-O 3.47Å |
| 167 | Y | 82.8 | Confident | 72.2 | Confident | 53 Ų | 53 | 85.2 Ų | 85.2 | 21% | 0.208 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 109.3 | -168 | -60.9 | -90.6 | 0 | 0 | 0 | 109.1 | Y160 L162 F176 T178 P179 | Y160-Y167 AromaticContact CD2-CD1 3.57Å; Y160-Y167 HydrophobicContact CD2-CD1 3.57Å; Y160-Y167 AromaticContact CD2-CE1 4Å; Y160-Y167 HydrophobicContact CD2-CE1 4Å; Y160-Y167 AromaticContact CE2-CD1 3.82Å; Y160-Y167 HydrophobicContact CE2-CD1 3.82Å; Y160-Y167 AromaticContact CE2-CE1 3.73Å; Y160-Y167 HydrophobicContact CE2-CE1 3.73Å; Y160-Y167 HydrophobicContact CG-CD1 4.36Å; L162-Y167 HydrophobicContact CD2-CE1 4.26Å; Y167-F176 PolarHBondContact N-O 2.78Å; Y167-F176 PolarHBondContact O-N 3.45Å; Y167-T178 VanDerWaalsContact CD2-C 3.45Å; Y167-P179 HydrophobicContact CD1-CB 3.92Å; Y167-P179 HydrophobicContact CE1-CB 3.68Å; Y167-P179 HydrophobicContact CE1-CG 4.21Å; Y167-P179 HydrophobicContact CE2-CB 4.4Å; Y167-P179 HydrophobicContact CE2-CG 4.37Å; Y167-P179 HydrophobicContact CG-CB 4.39Å |
| 168 | H | 84.4 | Confident | 74 | Confident | 51 Ų | 51 | 84.4 Ų | 84.4 | 24% | 0.236 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 133.3 | -178.7 | -68.2 | -93.2 | 0 | 0 | 0 | 112.1 | T163 I170 | T163-H168 PolarHBondContact OG1-CD2 3.39Å; T163-H168 PolarHBondContact OG1-NE2 3.44Å; T163-H168 VanDerWaalsContact OG1-NE2 3.17Å; H168-I170 PolarHBondContact O-N 3.45Å |
| 169 | C | 83.8 | Confident | 75.4 | Confident | 1 Ų | 1 | 83 Ų | 83 | 1% | 0.007 | 46% | 0.459 | C | S | . | . | trans | -83.7 | 106.8 | 172.5 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | T171 C172 D173 K174 F176 L182 H185 H190 | C169-T171 PolarHBondContact O-N 3.43Å; C169-C172 PolarHBondContact O-N 2.92Å; C169-D173 WeakPolarHBondContact O-CA 3.31Å; C169-D173 PolarHBondContact O-N 2.9Å; C169-K174 HydrophobicContact CB-CB 4.43Å; C169-K174 PolarHBondContact N-O 2.94Å; C169-F176 HydrophobicContact CB-CE2 4.25Å; C169-L182 HydrophobicContact CB-CD1 3.45Å; C169-L182 VanDerWaalsContact CB-CD1 3.45Å; C169-H185 VanDerWaalsContact SG-CD2 3.55Å; C169-H185 PolarHBondContact SG-NE2 3.13Å; C169-H190 PolarHBondContact SG-NE2 2.92Å | ||
| 170 | I | 81.3 | Confident | 77 | Confident | 100 Ų | 100 | 82.6 Ų | 82.6 | 51% | 0.513 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -24.4 | -179.5 | -56.8 | 179.4 | 0 | 0 | 0 | 113.5 | H168 | H168-I170 PolarHBondContact O-N 3.45Š|
| 171 | T | 83.1 | Confident | 78.2 | Confident | 93 Ų | 93 | 78.7 Ų | 78.7 | 57% | 0.571 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -13.4 | -178.3 | -33.2 | 0 | 0 | 0 | 0 | 114.5 | C169 H190 | C169-T171 PolarHBondContact O-N 3.43Å; T171-H190 HydrophobicContact CG2-CB 4.34Å |
| 172 | C | 85.6 | Confident | 79.5 | Confident | 41 Ų | 41 | 76.1 Ų | 76.1 | 28% | 0.277 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -160.4 | 20.8 | 178.3 | 69.3 | 0 | 0 | 0 | 0 | 115.9 | C169 K174 H185 H190 | C169-C172 PolarHBondContact O-N 2.92Å; C172-K174 PolarHBondContact O-N 2.84Å; C172-H185 PolarHBondContact SG-NE2 2.76Å; C172-H190 WeakPolarHBondContact CB-CE1 3.46Å; C172-H190 PolarHBondContact SG-CE1 3.09Å; C172-H190 PolarHBondContact SG-NE2 2.89Å |
| 173 | D | 82 | Confident | 80.8 | Confident | 124 Ų | 124 | 75.1 Ų | 75.1 | 66% | 0.663 | 42% | 0.422 | S | S | * | . | trans | 53.9 | 12.9 | 175.2 | -53 | -48.9 | 0 | 0 | 0 | 117.1 | C169 V175 | C169-D173 WeakPolarHBondContact O-CA 3.31Å; C169-D173 PolarHBondContact O-N 2.9Å; D173-V175 PolarHBondContact O-N 3.02Å | ||
| 174 | K | 85.6 | Confident | 81.9 | Confident | 110 Ų | 110 | 71.7 Ų | 71.7 | 48% | 0.478 | 40% | 0.4 | S | S | . | . | trans | -66.7 | 131.4 | 176.4 | -73.6 | -179.9 | -174.7 | 172.3 | 0 | 111.2 | C169 C172 F176 | C169-K174 HydrophobicContact CB-CB 4.43Å; C169-K174 PolarHBondContact N-O 2.94Å; C172-K174 PolarHBondContact O-N 2.84Å; K174-F176 HydrophobicContact CB-CE2 3.54Å; K174-F176 HydrophobicContact CB-CZ 3.82Å; K174-F176 HydrophobicContact CD-CZ 4.44Å; K174-F176 WeakPolarHBondContact O-CD2 3.41Å; K174-F176 WeakPolarHBondContact O-CE2 3.27Å | ||
| 175 | V | 87.6 | Confident | 83.2 | Confident | 81 Ų | 81 | 68.1 Ų | 68.1 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 134.2 | 179.2 | -165.6 | 0 | 0 | 0 | 0 | 109.7 | T166 D173 | T166-V175 VanDerWaalsContact CB-CG1 3.5Å; T166-V175 HydrophobicContact CG2-CG1 3.89Å; D173-V175 PolarHBondContact O-N 3.02Å |
| 176 | F | 86.4 | Confident | 83.7 | Confident | 47 Ų | 47 | 62.1 Ų | 62.1 | 21% | 0.206 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 143.3 | 175.1 | -61.8 | -88.4 | 0 | 0 | 0 | 110.4 | T166 Y167 C169 K174 T178 L182 H185 | T166-F176 WeakPolarHBondContact CA-O 3.47Å; Y167-F176 PolarHBondContact N-O 2.78Å; Y167-F176 PolarHBondContact O-N 3.45Å; C169-F176 HydrophobicContact CB-CE2 4.25Å; K174-F176 HydrophobicContact CB-CE2 3.54Å; K174-F176 HydrophobicContact CB-CZ 3.82Å; K174-F176 HydrophobicContact CD-CZ 4.44Å; K174-F176 WeakPolarHBondContact O-CD2 3.41Å; K174-F176 WeakPolarHBondContact O-CE2 3.27Å; F176-T178 VanDerWaalsContact C-N 3.31Å; F176-L182 HydrophobicContact CB-CB 4.2Å; F176-L182 HydrophobicContact CD2-CB 3.91Å; F176-L182 HydrophobicContact CD2-CD1 3.83Å; F176-L182 HydrophobicContact CD2-CG 4.47Å; F176-L182 HydrophobicContact CE2-CD1 4.01Å; F176-L182 HydrophobicContact CG-CB 4.16Å; F176-H185 HydrophobicContact CE1-CB 3.7Å; F176-H185 HydrophobicContact CE2-CB 3.9Å; F176-H185 AromaticContact CE2-CD2 3.33Å; F176-H185 WeakPolarHBondContact CE2-CD2 3.36Å; F176-H185 AromaticContact CE2-CG 3.67Å; F176-H185 HydrophobicContact CZ-CB 3.34Å; F176-H185 AromaticContact CZ-CD2 3.36Å; F176-H185 WeakPolarHBondContact CZ-CD2 3.44Å; F176-H185 AromaticContact CZ-CG 3.2Å; F176-H185 AromaticContact CZ-ND1 3.91Å |
| 177 | S | 86.7 | Confident | 83.5 | Confident | 103 Ų | 103 | 66.5 Ų | 66.5 | 72% | 0.72 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -82.3 | -4.1 | 176.4 | 52.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 178 | T | 85.4 | Confident | 83.3 | Confident | 67 Ų | 67 | 67.9 Ų | 67.9 | 41% | 0.411 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -142.6 | 148.6 | 177.4 | 63.7 | 0 | 0 | 0 | 0 | 111 | Y167 F176 H180 G181 L182 | Y167-T178 VanDerWaalsContact CD2-C 3.45Å; F176-T178 VanDerWaalsContact C-N 3.31Å; T178-H180 VanDerWaalsContact C-N 3.35Å; T178-H180 PolarHBondContact O-N 2.85Å; T178-G181 PolarHBondContact O-N 2.96Å; T178-G181 VanDerWaalsContact O-N 3.15Å; T178-G181 PolarHBondContact OG1-N 3.03Å; T178-G181 VanDerWaalsContact OG1-N 3.13Å; T178-L182 PolarHBondContact O-N 3.15Å |
| 179 | P | 82.6 | Confident | 82.9 | Confident | 73 Ų | 73 | 68.5 Ų | 68.5 | 47% | 0.474 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.3 | -37.5 | 179.7 | 24.9 | -30.2 | 0 | 0 | 0 | 111.3 | Y167 G181 L182 E183 | Y167-P179 HydrophobicContact CD1-CB 3.92Å; Y167-P179 HydrophobicContact CE1-CB 3.68Å; Y167-P179 HydrophobicContact CE1-CG 4.21Å; Y167-P179 HydrophobicContact CE2-CB 4.4Å; Y167-P179 HydrophobicContact CE2-CG 4.37Å; Y167-P179 HydrophobicContact CG-CB 4.39Å; P179-G181 VanDerWaalsContact C-N 3.28Å; P179-G181 PolarHBondContact O-N 3.32Å; P179-L182 PolarHBondContact O-N 3.19Å; P179-L182 VanDerWaalsContact O-N 3.14Å; P179-E183 WeakPolarHBondContact O-CB 3.49Å; P179-E183 PolarHBondContact O-N 3.5Å |
| 180 | H | 83.2 | Confident | 82.7 | Confident | 123 Ų | 123 | 72.1 Ų | 72.1 | 57% | 0.569 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.3 | -35.5 | 173.4 | -175.1 | 56.6 | 0 | 0 | 0 | 111.8 | T178 L182 E183 V184 | T178-H180 VanDerWaalsContact C-N 3.35Å; T178-H180 PolarHBondContact O-N 2.85Å; H180-L182 VanDerWaalsContact C-N 3.34Å; H180-L182 PolarHBondContact O-N 3.09Å; H180-E183 IonicContact CE1-OE2 3.49Å; H180-E183 PolarHBondContact CE1-OE2 2.85Å; H180-E183 IonicContact CG-OE2 3.89Å; H180-E183 IonicContact ND1-OE2 3.58Å; H180-E183 PolarHBondContact ND1-OE2 3.45Å; H180-E183 PolarHBondContact O-N 2.91Å; H180-V184 WeakPolarHBondContact CE1-CG2 3.49Å; H180-V184 WeakPolarHBondContact O-CB 3.5Å; H180-V184 WeakPolarHBondContact O-CG2 3.49Å; H180-V184 PolarHBondContact O-N 3.05Å |
| 181 | G | 84.1 | Confident | 82.1 | Confident | 22 Ų | 22 | 70.7 Ų | 70.7 | 23% | 0.227 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60 | -41.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T178 P179 H185 | T178-G181 PolarHBondContact O-N 2.96Å; T178-G181 VanDerWaalsContact O-N 3.15Å; T178-G181 PolarHBondContact OG1-N 3.03Å; T178-G181 VanDerWaalsContact OG1-N 3.13Å; P179-G181 VanDerWaalsContact C-N 3.28Å; P179-G181 PolarHBondContact O-N 3.32Å; G181-H185 VanDerWaalsContact O-CB 3.29Å; G181-H185 WeakPolarHBondContact O-CB 3.18Å; G181-H185 PolarHBondContact O-N 3.11Å |
| 182 | L | 84.6 | Confident | 81.3 | Confident | 11 Ų | 11 | 68.9 Ų | 68.9 | 6% | 0.058 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -69 | -50 | 174.5 | 172.7 | 59.7 | 0 | 0 | 0 | 112.3 | C169 F176 T178 P179 H180 V184 H185 V186 | C169-L182 HydrophobicContact CB-CD1 3.45Å; C169-L182 VanDerWaalsContact CB-CD1 3.45Å; F176-L182 HydrophobicContact CB-CB 4.2Å; F176-L182 HydrophobicContact CD2-CB 3.91Å; F176-L182 HydrophobicContact CD2-CD1 3.83Å; F176-L182 HydrophobicContact CD2-CG 4.47Å; F176-L182 HydrophobicContact CE2-CD1 4.01Å; F176-L182 HydrophobicContact CG-CB 4.16Å; T178-L182 PolarHBondContact O-N 3.15Å; P179-L182 PolarHBondContact O-N 3.19Å; P179-L182 VanDerWaalsContact O-N 3.14Å; H180-L182 VanDerWaalsContact C-N 3.34Å; H180-L182 PolarHBondContact O-N 3.09Å; L182-V184 VanDerWaalsContact C-N 3.32Å; L182-V184 PolarHBondContact O-N 2.86Å; L182-H185 WeakPolarHBondContact O-CA 3.35Å; L182-H185 WeakPolarHBondContact O-CB 3.42Å; L182-H185 PolarHBondContact O-N 3.46Å; L182-V186 HydrophobicContact CD1-CG2 3.77Å; L182-V186 HydrophobicContact CG-CG2 4.39Å; L182-V186 WeakPolarHBondContact O-CG2 3.35Å; L182-V186 PolarHBondContact O-N 3.09Å |
| 183 | E | 82.3 | Confident | 80.6 | Confident | 94 Ų | 94 | 69.8 Ų | 69.8 | 44% | 0.439 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -52.4 | -51.5 | 177.4 | 179.3 | -119.4 | 137.5 | 0 | 0 | 110.9 | P179 H180 H185 V186 R187 | P179-E183 WeakPolarHBondContact O-CB 3.49Å; P179-E183 PolarHBondContact O-N 3.5Å; H180-E183 IonicContact CE1-OE2 3.49Å; H180-E183 PolarHBondContact CE1-OE2 2.85Å; H180-E183 IonicContact CG-OE2 3.89Å; H180-E183 IonicContact ND1-OE2 3.58Å; H180-E183 PolarHBondContact ND1-OE2 3.45Å; H180-E183 PolarHBondContact O-N 2.91Å; E183-H185 VanDerWaalsContact C-N 3.33Å; E183-H185 PolarHBondContact O-N 3.15Å; E183-V186 PolarHBondContact O-N 2.73Å; E183-R187 WeakPolarHBondContact O-CB 3.4Å; E183-R187 PolarHBondContact O-N 3.47Å |
| 184 | V | 80.8 | Confident | 80.3 | Confident | 23 Ų | 23 | 69.6 Ų | 69.6 | 14% | 0.139 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.1 | -39.1 | 175.9 | 165.2 | 0 | 0 | 0 | 0 | 112.4 | H180 L182 R188 | H180-V184 WeakPolarHBondContact CE1-CG2 3.49Å; H180-V184 WeakPolarHBondContact O-CB 3.5Å; H180-V184 WeakPolarHBondContact O-CG2 3.49Å; H180-V184 PolarHBondContact O-N 3.05Å; L182-V184 VanDerWaalsContact C-N 3.32Å; L182-V184 PolarHBondContact O-N 2.86Å; V184-R188 VanDerWaalsContact O-CB 3.3Å; V184-R188 WeakPolarHBondContact O-CB 3.46Å; V184-R188 WeakPolarHBondContact O-CD 3.37Å; V184-R188 WeakPolarHBondContact O-CG 3.21Å; V184-R188 PolarHBondContact O-N 3.03Å |
| 185 | H | 83.9 | Confident | 80 | Confident | 17 Ų | 17 | 68.1 Ų | 68.1 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.4 | -52 | 175.6 | 162.5 | 57.1 | 0 | 0 | 0 | 111.6 | C169 C172 F176 G181 L182 E183 R187 R188 S189 H190 | C169-H185 VanDerWaalsContact SG-CD2 3.55Å; C169-H185 PolarHBondContact SG-NE2 3.13Å; C172-H185 PolarHBondContact SG-NE2 2.76Å; F176-H185 HydrophobicContact CE1-CB 3.7Å; F176-H185 HydrophobicContact CE2-CB 3.9Å; F176-H185 AromaticContact CE2-CD2 3.33Å; F176-H185 WeakPolarHBondContact CE2-CD2 3.36Å; F176-H185 AromaticContact CE2-CG 3.67Å; F176-H185 HydrophobicContact CZ-CB 3.34Å; F176-H185 AromaticContact CZ-CD2 3.36Å; F176-H185 WeakPolarHBondContact CZ-CD2 3.44Å; F176-H185 AromaticContact CZ-CG 3.2Å; F176-H185 AromaticContact CZ-ND1 3.91Å; G181-H185 VanDerWaalsContact O-CB 3.29Å; G181-H185 WeakPolarHBondContact O-CB 3.18Å; G181-H185 PolarHBondContact O-N 3.11Å; L182-H185 WeakPolarHBondContact O-CA 3.35Å; L182-H185 WeakPolarHBondContact O-CB 3.42Å; L182-H185 PolarHBondContact O-N 3.46Å; E183-H185 VanDerWaalsContact C-N 3.33Å; E183-H185 PolarHBondContact O-N 3.15Å; H185-R187 PolarHBondContact O-N 2.62Å; H185-R188 PolarHBondContact O-N 2.89Å; H185-S189 VanDerWaalsContact CE1-CB 3.5Å; H185-S189 WeakPolarHBondContact CE1-CB 3.42Å; H185-S189 PolarHBondContact CE1-OG 2.81Å; H185-S189 VanDerWaalsContact CE1-OG 3.24Å; H185-S189 PolarHBondContact ND1-OG 3.38Å; H185-S189 WeakPolarHBondContact O-CB 3.22Å; H185-S189 PolarHBondContact O-N 3.14Å; H185-S189 PolarHBondContact O-OG 3.49Å; H185-H190 AromaticContact CD2-NE2 3.47Å; H185-H190 PolarHBondContact CD2-NE2 3.21Å; H185-H190 AromaticContact CE1-NE2 3.07Å; H185-H190 PolarHBondContact CE1-NE2 3.1Å; H185-H190 AromaticContact NE2-CD2 3.96Å; H185-H190 AromaticContact NE2-NE2 2.42Å; H185-H190 PolarHBondContact NE2-NE2 3.06Å |
| 186 | V | 81.4 | Confident | 79.9 | Confident | 32 Ų | 32 | 67.8 Ų | 67.8 | 19% | 0.194 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.7 | -51.2 | -179.6 | 172.5 | 0 | 0 | 0 | 0 | 109.8 | L182 E183 R188 S189 H190 S191 | L182-V186 HydrophobicContact CD1-CG2 3.77Å; L182-V186 HydrophobicContact CG-CG2 4.39Å; L182-V186 WeakPolarHBondContact O-CG2 3.35Å; L182-V186 PolarHBondContact O-N 3.09Å; E183-V186 PolarHBondContact O-N 2.73Å; V186-R188 VanDerWaalsContact C-N 3.28Å; V186-R188 PolarHBondContact O-N 3.25Å; V186-S189 PolarHBondContact O-N 3.24Å; V186-H190 PolarHBondContact O-N 3.39Å; V186-S191 PolarHBondContact O-N 2.42Å; V186-S191 VanDerWaalsContact O-N 3.11Å; V186-S191 PolarHBondContact O-OG 3.07Å |
| 187 | R | 76.8 | Confident | 79.8 | Confident | 131 Ų | 131 | 67.6 Ų | 67.6 | 49% | 0.494 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.1 | -36 | -179.4 | -175.5 | 170.1 | -176.7 | 169.5 | 4.5 | 113.9 | E183 H185 T193 | E183-R187 WeakPolarHBondContact O-CB 3.4Å; E183-R187 PolarHBondContact O-N 3.47Å; H185-R187 PolarHBondContact O-N 2.62Å; R187-T193 WeakPolarHBondContact CG-OG1 3.37Å; R187-T193 PolarHBondContact O-N 3.34Å; R187-T193 PolarHBondContact O-OG1 3.24Å |
| 188 | R | 77.6 | Confident | 80 | Confident | 82 Ų | 82 | 62.8 Ų | 62.8 | 31% | 0.309 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -91.8 | -21.5 | -178.8 | -68.7 | 175.1 | -178.1 | 162.1 | 9 | 114.6 | V184 H185 V186 G206 H207 | V184-R188 VanDerWaalsContact O-CB 3.3Å; V184-R188 WeakPolarHBondContact O-CB 3.46Å; V184-R188 WeakPolarHBondContact O-CD 3.37Å; V184-R188 WeakPolarHBondContact O-CG 3.21Å; V184-R188 PolarHBondContact O-N 3.03Å; H185-R188 PolarHBondContact O-N 2.89Å; V186-R188 VanDerWaalsContact C-N 3.28Å; V186-R188 PolarHBondContact O-N 3.25Å; R188-G206 WeakPolarHBondContact CD-O 3.47Å; R188-G206 PolarHBondContact NE-O 3.46Å; R188-H207 PolarHBondContact NH1-CE1 3.36Å; R188-H207 PolarHBondContact NH1-ND1 3.16Å |
| 189 | S | 75.8 | Confident | 80.1 | Confident | 64 Ų | 64 | 65.7 Ų | 65.7 | 45% | 0.448 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -111.1 | -34.7 | -168.9 | -44.9 | 0 | 0 | 0 | 0 | 113.5 | H185 V186 | H185-S189 VanDerWaalsContact CE1-CB 3.5Å; H185-S189 WeakPolarHBondContact CE1-CB 3.42Å; H185-S189 PolarHBondContact CE1-OG 2.81Å; H185-S189 VanDerWaalsContact CE1-OG 3.24Å; H185-S189 PolarHBondContact ND1-OG 3.38Å; H185-S189 WeakPolarHBondContact O-CB 3.22Å; H185-S189 PolarHBondContact O-N 3.14Å; H185-S189 PolarHBondContact O-OG 3.49Å; V186-S189 PolarHBondContact O-N 3.24Å |
| 190 | H | 79.5 | Confident | 80.4 | Confident | 77 Ų | 77 | 67.2 Ų | 67.2 | 36% | 0.356 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -44.4 | -173.3 | -53.1 | -49.2 | 0 | 0 | 0 | 111.5 | C169 T171 C172 H185 V186 G192 | C169-H190 PolarHBondContact SG-NE2 2.92Å; T171-H190 HydrophobicContact CG2-CB 4.34Å; C172-H190 WeakPolarHBondContact CB-CE1 3.46Å; C172-H190 PolarHBondContact SG-CE1 3.09Å; C172-H190 PolarHBondContact SG-NE2 2.89Å; H185-H190 AromaticContact CD2-NE2 3.47Å; H185-H190 PolarHBondContact CD2-NE2 3.21Å; H185-H190 AromaticContact CE1-NE2 3.07Å; H185-H190 PolarHBondContact CE1-NE2 3.1Å; H185-H190 AromaticContact NE2-CD2 3.96Å; H185-H190 AromaticContact NE2-NE2 2.42Å; H185-H190 PolarHBondContact NE2-NE2 3.06Å; V186-H190 PolarHBondContact O-N 3.39Å; H190-G192 PolarHBondContact O-N 2.93Å |
| 191 | S | 68.4 | Low | 80.7 | Confident | 69 Ų | 69 | 63.4 Ų | 63.4 | 48% | 0.483 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -70.8 | 1 | -179.5 | -41.5 | 0 | 0 | 0 | 0 | 114.7 | V186 T193 | V186-S191 PolarHBondContact O-N 2.42Å; V186-S191 VanDerWaalsContact O-N 3.11Å; V186-S191 PolarHBondContact O-OG 3.07Å; S191-T193 WeakPolarHBondContact O-CG2 3.33Å; S191-T193 PolarHBondContact O-N 3.18Å |
| 192 | G | 66.9 | Low | 80.8 | Confident | 56 Ų | 56 | 72.9 Ų | 72.9 | 58% | 0.577 | 38% | 0.382 | S | S | * | . | trans | 66.3 | -13 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | H190 R194 | H190-G192 PolarHBondContact O-N 2.93Å; G192-R194 PolarHBondContact O-N 3.31Å | ||
| 193 | T | 70.3 | Confident | 80.8 | Confident | 59 Ų | 59 | 77.1 Ų | 77.1 | 36% | 0.362 | 40% | 0.4 | S | S | . | . | trans | -68.7 | 119.3 | -173.6 | 78.6 | 0 | 0 | 0 | 0 | 111.2 | R187 S191 P195 | R187-T193 WeakPolarHBondContact CG-OG1 3.37Å; R187-T193 PolarHBondContact O-N 3.34Å; R187-T193 PolarHBondContact O-OG1 3.24Å; S191-T193 WeakPolarHBondContact O-CG2 3.33Å; S191-T193 PolarHBondContact O-N 3.18Å; T193-P195 WeakPolarHBondContact O-CD 3.32Å | ||
| 194 | R | 76.4 | Confident | 81.1 | Confident | 121 Ų | 121 | 75.7 Ų | 75.7 | 46% | 0.457 | 40% | 0.398 | S | S | . | . | trans | -123.8 | 79.8 | -178.7 | -71.2 | 168.8 | 70.3 | 103.6 | -0.8 | 107.3 | G192 F196 T204 F205 | G192-R194 PolarHBondContact O-N 3.31Å; R194-F196 PolarHBondContact O-N 3.46Å; R194-F196 VanDerWaalsContact O-N 3.11Å; R194-T204 WeakPolarHBondContact CB-OG1 3.33Å; R194-T204 VanDerWaalsContact CZ-O 3.25Å; R194-T204 PolarHBondContact NE-O 3.43Å; R194-T204 PolarHBondContact NE-OG1 3.23Å; R194-T204 PolarHBondContact NH2-O 3.37Å; R194-T204 WeakPolarHBondContact O-CB 3.27Å; R194-F205 CarbonylContact C-O 3.55Å; R194-F205 WeakPolarHBondContact CA-O 3.2Å | ||
| 195 | P | 79.4 | Confident | 81.2 | Confident | 79 Ų | 79 | 76.2 Ų | 76.2 | 51% | 0.513 | 40% | 0.399 | S | S | . | . | trans | -68.2 | -14.9 | -160.6 | 24.6 | -34 | 0 | 0 | 0 | 114.7 | T193 G197 | T193-P195 WeakPolarHBondContact O-CD 3.32Å; P195-G197 PolarHBondContact O-N 2.85Å | ||
| 196 | F | 84.4 | Confident | 81.2 | Confident | 74 Ų | 74 | 75.9 Ų | 75.9 | 33% | 0.325 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 94.8 | -179.5 | -58.3 | -83 | 0 | 0 | 0 | 110.1 | R194 T204 F205 G206 G208 L211 | R194-F196 PolarHBondContact O-N 3.46Å; R194-F196 VanDerWaalsContact O-N 3.11Å; F196-T204 CarbonylContact O-C 3.42Å; F196-T204 WeakPolarHBondContact O-CA 3.25Å; F196-F205 HydrophobicContact CB-CB 4.23Å; F196-F205 PolarHBondContact N-O 3.26Å; F196-F205 VanDerWaalsContact N-O 3.16Å; F196-F205 WeakPolarHBondContact O-CD2 3.36Å; F196-F205 PolarHBondContact O-N 3.22Å; F196-G206 WeakPolarHBondContact CE2-O 3.5Å; F196-G208 VanDerWaalsContact CD1-CA 3.48Å; F196-L211 HydrophobicContact CB-CB 3.93Å; F196-L211 HydrophobicContact CB-CD2 3.9Å |
| 197 | G | 85.7 | Confident | 81.2 | Confident | 42 Ų | 42 | 78.9 Ų | 78.9 | 43% | 0.433 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 136.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P195 L211 | P195-G197 PolarHBondContact O-N 2.85Å; G197-L211 WeakPolarHBondContact O-CD2 3.22Å |
| 198 | C | 90.1 | Very high | 81.6 | Confident | 3 Ų | 3 | 74 Ų | 74 | 2% | 0.02 | 40% | 0.402 | C | S | . | . | trans | -76.6 | 121 | 167.3 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | I200 R202 K203 F205 L211 H214 H218 | C198-I200 VanDerWaalsContact C-N 3.33Å; C198-I200 PolarHBondContact O-N 3.27Å; C198-R202 WeakPolarHBondContact O-CA 3.42Å; C198-R202 PolarHBondContact O-N 2.66Å; C198-K203 WeakPolarHBondContact CB-O 3.4Å; C198-K203 PolarHBondContact N-O 3.14Å; C198-F205 HydrophobicContact CB-CE2 4.35Å; C198-L211 HydrophobicContact CB-CD1 3.73Å; C198-H214 PolarHBondContact SG-NE2 2.88Å; C198-H218 PolarHBondContact SG-NE2 3.17Å | ||
| 199 | N | 87.9 | Confident | 82 | Confident | 128 Ų | 128 | 74.7 Ų | 74.7 | 68% | 0.684 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -37.2 | 176.1 | 58 | -15.4 | 0 | 0 | 0 | 113.3 | ||
| 200 | I | 88.6 | Confident | 82.6 | Confident | 104 Ų | 104 | 74.1 Ų | 74.1 | 53% | 0.533 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -53.7 | -176.4 | -62.9 | 168.3 | 0 | 0 | 0 | 112.1 | C198 M215 H218 | C198-I200 VanDerWaalsContact C-N 3.33Å; C198-I200 PolarHBondContact O-N 3.27Å; I200-M215 HydrophobicContact CD1-CE 3.89Å; I200-H218 HydrophobicContact CD1-CB 3.66Å |
| 201 | C | 90.1 | Very high | 83 | Confident | 43 Ų | 43 | 72 Ų | 72 | 29% | 0.291 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 10.8 | -172.1 | 76.7 | 0 | 0 | 0 | 0 | 115.2 | K203 H214 H218 | C201-K203 PolarHBondContact O-N 3.07Å; C201-H214 PolarHBondContact SG-NE2 3.47Å; C201-H218 WeakPolarHBondContact CB-CE1 3.47Å; C201-H218 PolarHBondContact SG-CE1 3.28Å; C201-H218 PolarHBondContact SG-NE2 3.41Å |
| 202 | R | 86 | Confident | 83.8 | Confident | 221 Ų | 221 | 74.7 Ų | 74.7 | 83% | 0.834 | 41% | 0.407 | S | S | * | . | trans | 56.4 | 8.8 | 177.2 | -57.9 | -177.1 | -178.8 | 176.8 | -0.1 | 116 | C198 | C198-R202 WeakPolarHBondContact O-CA 3.42Å; C198-R202 PolarHBondContact O-N 2.66Å | ||
| 203 | K | 85.3 | Confident | 84.6 | Confident | 101 Ų | 101 | 76.1 Ų | 76.1 | 44% | 0.439 | 40% | 0.399 | S | S | . | . | trans | -66.7 | 133.7 | 171.9 | -70.2 | -176.8 | 179.9 | -176.7 | 0 | 110.1 | S111 C198 C201 F205 | S111-K203 PolarHBondContact OG-NZ 3.32Å; C198-K203 WeakPolarHBondContact CB-O 3.4Å; C198-K203 PolarHBondContact N-O 3.14Å; C201-K203 PolarHBondContact O-N 3.07Å; K203-F205 HydrophobicContact CB-CE2 3.97Å; K203-F205 HydrophobicContact CB-CZ 4.01Å; K203-F205 VanDerWaalsContact O-CE2 3.26Å; K203-F205 WeakPolarHBondContact O-CE2 3.22Å | ||
| 204 | T | 86.9 | Confident | 85.4 | Confident | 64 Ų | 64 | 74.2 Ų | 74.2 | 39% | 0.393 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 150.2 | -176.5 | 56.8 | 0 | 0 | 0 | 0 | 111.8 | R194 F196 | R194-T204 WeakPolarHBondContact CB-OG1 3.33Å; R194-T204 VanDerWaalsContact CZ-O 3.25Å; R194-T204 PolarHBondContact NE-O 3.43Å; R194-T204 PolarHBondContact NE-OG1 3.23Å; R194-T204 PolarHBondContact NH2-O 3.37Å; R194-T204 WeakPolarHBondContact O-CB 3.27Å; F196-T204 CarbonylContact O-C 3.42Å; F196-T204 WeakPolarHBondContact O-CA 3.25Å |
| 205 | F | 84.4 | Confident | 85.9 | Confident | 33 Ų | 33 | 71.3 Ų | 71.3 | 15% | 0.145 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 149.7 | -175.9 | -58.8 | -87.3 | 0 | 0 | 0 | 111.5 | R194 F196 C198 K203 H207 L211 H214 | R194-F205 CarbonylContact C-O 3.55Å; R194-F205 WeakPolarHBondContact CA-O 3.2Å; F196-F205 HydrophobicContact CB-CB 4.23Å; F196-F205 PolarHBondContact N-O 3.26Å; F196-F205 VanDerWaalsContact N-O 3.16Å; F196-F205 WeakPolarHBondContact O-CD2 3.36Å; F196-F205 PolarHBondContact O-N 3.22Å; C198-F205 HydrophobicContact CB-CE2 4.35Å; K203-F205 HydrophobicContact CB-CE2 3.97Å; K203-F205 HydrophobicContact CB-CZ 4.01Å; K203-F205 VanDerWaalsContact O-CE2 3.26Å; K203-F205 WeakPolarHBondContact O-CE2 3.22Å; F205-H207 VanDerWaalsContact C-N 3.35Å; F205-L211 HydrophobicContact CB-CB 4.33Å; F205-L211 HydrophobicContact CD2-CB 3.91Å; F205-L211 HydrophobicContact CD2-CD1 3.98Å; F205-L211 HydrophobicContact CE2-CD1 4.13Å; F205-L211 HydrophobicContact CG-CB 4.29Å; F205-H214 HydrophobicContact CE1-CB 3.9Å; F205-H214 HydrophobicContact CE2-CB 3.89Å; F205-H214 AromaticContact CE2-CD2 3.38Å; F205-H214 WeakPolarHBondContact CE2-CD2 3.37Å; F205-H214 AromaticContact CE2-CG 3.64Å; F205-H214 HydrophobicContact CZ-CB 3.46Å; F205-H214 VanDerWaalsContact CZ-CB 3.46Å; F205-H214 AromaticContact CZ-CD2 3.44Å; F205-H214 VanDerWaalsContact CZ-CD2 3.44Å; F205-H214 WeakPolarHBondContact CZ-CD2 3.12Å; F205-H214 AromaticContact CZ-CG 3.22Å; F205-H214 AromaticContact CZ-ND1 3.82Å |
| 206 | G | 83.6 | Confident | 86.1 | Confident | 11 Ų | 11 | 70 Ų | 70 | 11% | 0.113 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -75.9 | -21.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | R188 F196 | R188-G206 WeakPolarHBondContact CD-O 3.47Å; R188-G206 PolarHBondContact NE-O 3.46Å; F196-G206 WeakPolarHBondContact CE2-O 3.5Å |
| 207 | H | 82.2 | Confident | 86 | Confident | 95 Ų | 95 | 70.7 Ų | 70.7 | 44% | 0.44 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -134.7 | 143 | -174.7 | -58.8 | -117.7 | 0 | 0 | 0 | 110.7 | R188 F205 V209 S210 L211 | R188-H207 PolarHBondContact NH1-CE1 3.36Å; R188-H207 PolarHBondContact NH1-ND1 3.16Å; F205-H207 VanDerWaalsContact C-N 3.35Å; H207-V209 PolarHBondContact O-N 2.84Å; H207-S210 WeakPolarHBondContact O-CB 3.41Å; H207-S210 PolarHBondContact O-N 3.01Å; H207-L211 PolarHBondContact O-N 3.48Å |
| 208 | G | 84.8 | Confident | 85.9 | Confident | 27 Ų | 27 | 72.2 Ų | 72.2 | 28% | 0.278 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56.7 | -46.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F196 S210 L211 E212 | F196-G208 VanDerWaalsContact CD1-CA 3.48Å; G208-S210 PolarHBondContact O-N 3.49Å; G208-S210 VanDerWaalsContact O-N 3.12Å; G208-L211 CarbonylContact O-C 3.6Å; G208-L211 WeakPolarHBondContact O-CA 3.33Å; G208-L211 WeakPolarHBondContact O-CB 3.26Å; G208-L211 PolarHBondContact O-N 2.89Å; G208-E212 PolarHBondContact O-N 3.02Å |
| 209 | V | 86.3 | Confident | 85.4 | Confident | 98 Ų | 98 | 73.6 Ų | 73.6 | 59% | 0.594 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -58.3 | -27.1 | 175.8 | -174.2 | 0 | 0 | 0 | 0 | 112.8 | H207 Q213 | H207-V209 PolarHBondContact O-N 2.84Å; V209-Q213 WeakPolarHBondContact O-CB 3.48Å; V209-Q213 PolarHBondContact O-N 3.2Å |
| 210 | S | 87.3 | Confident | 84.4 | Confident | 52 Ų | 52 | 75.6 Ų | 75.6 | 36% | 0.364 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -79.2 | -30.4 | 174.3 | -57.8 | 0 | 0 | 0 | 0 | 113.1 | H207 G208 H214 | H207-S210 WeakPolarHBondContact O-CB 3.41Å; H207-S210 PolarHBondContact O-N 3.01Å; G208-S210 PolarHBondContact O-N 3.49Å; G208-S210 VanDerWaalsContact O-N 3.12Å; S210-H214 VanDerWaalsContact O-CB 3.27Å; S210-H214 WeakPolarHBondContact O-CB 3.5Å; S210-H214 PolarHBondContact O-N 3.39Å; S210-H214 VanDerWaalsContact O-N 3.15Å |
| 211 | L | 87.6 | Confident | 83.3 | Confident | 31 Ų | 31 | 77.3 Ų | 77.3 | 16% | 0.162 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -70.9 | -47 | 169.6 | 168 | 60 | 0 | 0 | 0 | 110.5 | F196 G197 C198 F205 H207 G208 H214 M215 | F196-L211 HydrophobicContact CB-CB 3.93Å; F196-L211 HydrophobicContact CB-CD2 3.9Å; G197-L211 WeakPolarHBondContact O-CD2 3.22Å; C198-L211 HydrophobicContact CB-CD1 3.73Å; F205-L211 HydrophobicContact CB-CB 4.33Å; F205-L211 HydrophobicContact CD2-CB 3.91Å; F205-L211 HydrophobicContact CD2-CD1 3.98Å; F205-L211 HydrophobicContact CE2-CD1 4.13Å; F205-L211 HydrophobicContact CG-CB 4.29Å; H207-L211 PolarHBondContact O-N 3.48Å; G208-L211 CarbonylContact O-C 3.6Å; G208-L211 WeakPolarHBondContact O-CA 3.33Å; G208-L211 WeakPolarHBondContact O-CB 3.26Å; G208-L211 PolarHBondContact O-N 2.89Å; L211-H214 CarbonylContact O-C 3.58Å; L211-H214 VanDerWaalsContact O-CA 3.32Å; L211-H214 WeakPolarHBondContact O-CA 3.39Å; L211-H214 VanDerWaalsContact O-CB 3.3Å; L211-H214 WeakPolarHBondContact O-CB 3.24Å; L211-H214 PolarHBondContact O-N 3.15Å; L211-M215 HydrophobicContact CD1-SD 4.04Å; L211-M215 WeakPolarHBondContact O-CG 3.25Å; L211-M215 PolarHBondContact O-N 3.23Å |
| 212 | E | 85.4 | Confident | 82.2 | Confident | 126 Ų | 126 | 81.1 Ų | 81.1 | 59% | 0.589 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -53.9 | -54.4 | 174.5 | -176.8 | -170.9 | -177.2 | 0 | 0 | 111.3 | G208 H214 M215 | G208-E212 PolarHBondContact O-N 3.02Å; E212-H214 PolarHBondContact O-N 2.91Å; E212-H214 VanDerWaalsContact O-N 3.13Å; E212-M215 WeakPolarHBondContact O-CB 3.47Å; E212-M215 PolarHBondContact O-N 3.32Å |
| 213 | Q | 84.8 | Confident | 81.7 | Confident | 87 Ų | 87 | 75 Ų | 75 | 41% | 0.407 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.1 | -24.9 | 174 | -175.4 | 170.8 | 126.5 | 0 | 0 | 113.3 | V209 N216 R235 | V209-Q213 WeakPolarHBondContact O-CB 3.48Å; V209-Q213 PolarHBondContact O-N 3.2Å; Q213-N216 WeakPolarHBondContact O-CB 3.29Å; Q213-R235 HydrophobicContact CG-CG 4.29Å |
| 214 | H | 86.7 | Confident | 81.7 | Confident | 19 Ų | 19 | 73.5 Ų | 73.5 | 9% | 0.088 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -79.8 | -26.7 | 172.8 | 169.1 | 63.1 | 0 | 0 | 0 | 113.1 | C198 C201 F205 S210 L211 E212 N216 V217 H218 | C198-H214 PolarHBondContact SG-NE2 2.88Å; C201-H214 PolarHBondContact SG-NE2 3.47Å; F205-H214 HydrophobicContact CE1-CB 3.9Å; F205-H214 HydrophobicContact CE2-CB 3.89Å; F205-H214 AromaticContact CE2-CD2 3.38Å; F205-H214 WeakPolarHBondContact CE2-CD2 3.37Å; F205-H214 AromaticContact CE2-CG 3.64Å; F205-H214 HydrophobicContact CZ-CB 3.46Å; F205-H214 VanDerWaalsContact CZ-CB 3.46Å; F205-H214 AromaticContact CZ-CD2 3.44Å; F205-H214 VanDerWaalsContact CZ-CD2 3.44Å; F205-H214 WeakPolarHBondContact CZ-CD2 3.12Å; F205-H214 AromaticContact CZ-CG 3.22Å; F205-H214 AromaticContact CZ-ND1 3.82Å; S210-H214 VanDerWaalsContact O-CB 3.27Å; S210-H214 WeakPolarHBondContact O-CB 3.5Å; S210-H214 PolarHBondContact O-N 3.39Å; S210-H214 VanDerWaalsContact O-N 3.15Å; L211-H214 CarbonylContact O-C 3.58Å; L211-H214 VanDerWaalsContact O-CA 3.32Å; L211-H214 WeakPolarHBondContact O-CA 3.39Å; L211-H214 VanDerWaalsContact O-CB 3.3Å; L211-H214 WeakPolarHBondContact O-CB 3.24Å; L211-H214 PolarHBondContact O-N 3.15Å; E212-H214 PolarHBondContact O-N 2.91Å; E212-H214 VanDerWaalsContact O-N 3.13Å; H214-N216 PolarHBondContact O-N 2.89Å; H214-V217 WeakPolarHBondContact O-CB 3.13Å; H214-V217 WeakPolarHBondContact O-CG2 3.4Å; H214-V217 PolarHBondContact O-N 3.11Å; H214-H218 AromaticContact CD2-NE2 3.14Å; H214-H218 PolarHBondContact CD2-NE2 2.68Å; H214-H218 AromaticContact CE1-NE2 2.78Å; H214-H218 PolarHBondContact CE1-NE2 3.25Å; H214-H218 AromaticContact ND1-NE2 3.84Å; H214-H218 AromaticContact NE2-CD2 3.94Å; H214-H218 AromaticContact NE2-NE2 2.16Å; H214-H218 PolarHBondContact NE2-NE2 2.95Å |
| 215 | M | 85.6 | Confident | 81.8 | Confident | 60 Ų | 60 | 75.9 Ų | 75.9 | 30% | 0.296 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.5 | -28.1 | 172.9 | -61.5 | -51.4 | -71 | 0 | 0 | 111.5 | I200 L211 E212 V217 H218 S219 | I200-M215 HydrophobicContact CD1-CE 3.89Å; L211-M215 HydrophobicContact CD1-SD 4.04Å; L211-M215 WeakPolarHBondContact O-CG 3.25Å; L211-M215 PolarHBondContact O-N 3.23Å; E212-M215 WeakPolarHBondContact O-CB 3.47Å; E212-M215 PolarHBondContact O-N 3.32Å; M215-V217 PolarHBondContact O-N 3.35Å; M215-H218 PolarHBondContact O-N 2.86Å; M215-S219 PolarHBondContact O-N 3.04Å |
| 216 | N | 83.6 | Confident | 82.2 | Confident | 51 Ų | 51 | 74.4 Ų | 74.4 | 27% | 0.273 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.6 | -12.8 | 168.7 | -58.1 | 10.5 | 0 | 0 | 0 | 113 | Q213 H214 K234 | Q213-N216 WeakPolarHBondContact O-CB 3.29Å; H214-N216 PolarHBondContact O-N 2.89Å; N216-K234 HydrophobicContact CB-CB 4.4Å; N216-K234 PolarHBondContact ND2-O 2.89Å; N216-K234 WeakPolarHBondContact O-CD 3.37Å; N216-K234 WeakPolarHBondContact O-CE 3.41Å; N216-K234 PolarHBondContact O-NZ 2.95Å |
| 217 | V | 83.2 | Confident | 82.5 | Confident | 89 Ų | 89 | 83.6 Ų | 83.6 | 54% | 0.539 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -72.4 | -41.5 | 169.9 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | H214 M215 K234 | H214-V217 WeakPolarHBondContact O-CB 3.13Å; H214-V217 WeakPolarHBondContact O-CG2 3.4Å; H214-V217 PolarHBondContact O-N 3.11Å; M215-V217 PolarHBondContact O-N 3.35Å; V217-K234 PolarHBondContact O-NZ 3.28Å |
| 218 | H | 84.3 | Confident | 82.8 | Confident | 73 Ų | 73 | 85.5 Ų | 85.5 | 34% | 0.338 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -83.6 | -36.5 | -177.3 | -53.8 | -61.3 | 0 | 0 | 0 | 112.4 | C198 I200 C201 H214 M215 | C198-H218 PolarHBondContact SG-NE2 3.17Å; I200-H218 HydrophobicContact CD1-CB 3.66Å; C201-H218 WeakPolarHBondContact CB-CE1 3.47Å; C201-H218 PolarHBondContact SG-CE1 3.28Å; C201-H218 PolarHBondContact SG-NE2 3.41Å; H214-H218 AromaticContact CD2-NE2 3.14Å; H214-H218 PolarHBondContact CD2-NE2 2.68Å; H214-H218 AromaticContact CE1-NE2 2.78Å; H214-H218 PolarHBondContact CE1-NE2 3.25Å; H214-H218 AromaticContact ND1-NE2 3.84Å; H214-H218 AromaticContact NE2-CD2 3.94Å; H214-H218 AromaticContact NE2-NE2 2.16Å; H214-H218 PolarHBondContact NE2-NE2 2.95Å; M215-H218 PolarHBondContact O-N 2.86Å |
| 219 | S | 78.4 | Confident | 83.1 | Confident | 33 Ų | 33 | 86.3 Ų | 86.3 | 23% | 0.231 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -67.5 | 140.9 | 167.4 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | M215 E221 K234 | M215-S219 PolarHBondContact O-N 3.04Å; S219-E221 VanDerWaalsContact C-N 3.29Å; S219-E221 VanDerWaalsContact OG-CB 3.28Å; S219-E221 WeakPolarHBondContact OG-CB 3.2Å; S219-E221 VanDerWaalsContact OG-CG 3.26Å; S219-E221 WeakPolarHBondContact OG-CG 3.47Å; S219-E221 PolarHBondContact OG-N 3.38Å; S219-E221 VanDerWaalsContact OG-N 3.09Å; S219-E221 PolarHBondContact OG-OE2 2.92Å; S219-K234 PolarHBondContact O-NZ 2.85Å |
| 220 | Q | 66.9 | Low | 83.2 | Confident | 170 Ų | 170 | 83.8 Ų | 83.8 | 79% | 0.794 | 43% | 0.428 | S | S | * | . | trans | -81.2 | -14.4 | 170 | -63.7 | -164.9 | 10.6 | 0 | 0 | 112.5 | R222 | Q220-R222 PolarHBondContact O-NH1 2.86Š| ||
| 221 | E | 67 | Low | 83.2 | Confident | 140 Ų | 140 | 86.9 Ų | 86.9 | 65% | 0.654 | 44% | 0.435 | S | S | * | . | trans | -57.1 | 139.5 | 178.9 | -63.1 | 164.4 | 130.1 | 0 | 0 | 111.2 | S219 | S219-E221 VanDerWaalsContact C-N 3.29Å; S219-E221 VanDerWaalsContact OG-CB 3.28Å; S219-E221 WeakPolarHBondContact OG-CB 3.2Å; S219-E221 VanDerWaalsContact OG-CG 3.26Å; S219-E221 WeakPolarHBondContact OG-CG 3.47Å; S219-E221 PolarHBondContact OG-N 3.38Å; S219-E221 VanDerWaalsContact OG-N 3.09Å; S219-E221 PolarHBondContact OG-OE2 2.92Å | ||
| 222 | R | 65.6 | Low | 83.2 | Confident | 123 Ų | 123 | 88.2 Ų | 88.2 | 46% | 0.464 | 45% | 0.445 | S | S | . | . | trans | -134.4 | 73 | -179.9 | -71.8 | 173.7 | 168.1 | 85.1 | -16.5 | 107.9 | Q220 F224 T232 F233 K234 | Q220-R222 PolarHBondContact O-NH1 2.86Å; R222-F224 PolarHBondContact O-N 3.47Å; R222-T232 VanDerWaalsContact CB-CB 3.48Å; R222-T232 WeakPolarHBondContact CD-O 3.06Å; R222-T232 WeakPolarHBondContact CD-OG1 3.43Å; R222-F233 CarbonylContact C-O 3.58Å; R222-F233 WeakPolarHBondContact CA-O 3.27Å; R222-K234 HydrophobicContact CG-CG 3.81Å | ||
| 223 | S | 76.8 | Confident | 83.3 | Confident | 91 Ų | 91 | 84.4 Ų | 84.4 | 64% | 0.636 | 43% | 0.426 | S | S | * | . | trans | -62.4 | -3.4 | -165 | -29.6 | 0 | 0 | 0 | 0 | 116.1 | F233 | S223-F233 PolarHBondContact N-O 3.47Š| ||
| 224 | F | 84.9 | Confident | 83.4 | Confident | 71 Ų | 71 | 83.1 Ų | 83.1 | 31% | 0.311 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 97.8 | -175.3 | -58.2 | -78.6 | 0 | 0 | 0 | 110.7 | R222 T232 F233 S236 L239 | R222-F224 PolarHBondContact O-N 3.47Å; F224-T232 CarbonylContact O-C 3.37Å; F224-F233 HydrophobicContact CB-CB 4.26Å; F224-F233 PolarHBondContact N-O 2.92Å; F224-F233 PolarHBondContact O-N 3.15Å; F224-S236 VanDerWaalsContact CD2-N 3.33Å; F224-L239 HydrophobicContact CB-CB 4.12Å; F224-L239 HydrophobicContact CB-CD2 3.94Å |
| 225 | E | 89.2 | Confident | 83.3 | Confident | 114 Ų | 114 | 87 Ų | 87 | 53% | 0.533 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 139.4 | -178.9 | -170 | 177.6 | 160.2 | 0 | 0 | 113.4 | K227 T232 L239 | E225-K227 PolarHBondContact O-N 2.63Å; E225-T232 HydrophobicContact CB-CG2 3.95Å; E225-T232 HydrophobicContact CG-CG2 3.81Å; E225-L239 WeakPolarHBondContact O-CD2 3.45Å |
| 226 | C | 91.8 | Very high | 83.5 | Confident | 1 Ų | 1 | 87.1 Ų | 87.1 | 1% | 0.007 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 101.6 | 166.7 | -173.3 | 0 | 0 | 0 | 0 | 111.4 | M228 C229 G230 K231 F233 L239 H246 | C226-M228 PolarHBondContact O-N 2.34Å; C226-C229 PolarHBondContact O-N 2.73Å; C226-G230 PolarHBondContact O-N 3.33Å; C226-K231 HydrophobicContact CB-CB 4.46Å; C226-K231 WeakPolarHBondContact CB-O 3.18Å; C226-K231 PolarHBondContact N-O 3.27Å; C226-F233 HydrophobicContact CB-CE2 4.24Å; C226-L239 HydrophobicContact CB-CD1 3.57Å; C226-H246 VanDerWaalsContact SG-CD2 3.57Å; C226-H246 PolarHBondContact SG-NE2 3.49Å |
| 227 | K | 89.4 | Confident | 83.7 | Confident | 204 Ų | 204 | 87.8 Ų | 87.8 | 89% | 0.887 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -22.3 | 177.9 | -60.7 | -170.8 | 179.3 | -172.7 | 0 | 114.9 | E225 | E225-K227 PolarHBondContact O-N 2.63Š|
| 228 | M | 89.6 | Confident | 84 | Confident | 136 Ų | 136 | 85.4 Ų | 85.4 | 67% | 0.67 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -18.6 | 179.2 | -59.2 | -59.4 | -71.1 | 0 | 0 | 114 | C226 H246 | C226-M228 PolarHBondContact O-N 2.34Å; M228-H246 HydrophobicContact CG-CB 4.39Å |
| 229 | C | 91.4 | Very high | 84.3 | Confident | 44 Ų | 44 | 83 Ų | 83 | 30% | 0.297 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -157.3 | 18.8 | -175.6 | 70.5 | 0 | 0 | 0 | 0 | 115.8 | C226 K231 H242 H246 | C226-C229 PolarHBondContact O-N 2.73Å; C229-K231 PolarHBondContact O-N 2.89Å; C229-K231 VanDerWaalsContact SG-CD 3.59Å; C229-H242 PolarHBondContact SG-NE2 3.41Å; C229-H246 WeakPolarHBondContact CB-CE1 3.21Å; C229-H246 PolarHBondContact SG-CE1 2.86Å; C229-H246 PolarHBondContact SG-NE2 2.81Å |
| 230 | G | 87.4 | Confident | 84.9 | Confident | 44 Ų | 44 | 84.4 Ų | 84.4 | 45% | 0.454 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 6.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116 | C226 T232 | C226-G230 PolarHBondContact O-N 3.33Å; G230-T232 PolarHBondContact O-N 2.79Å |
| 231 | K | 87.9 | Confident | 86 | Confident | 118 Ų | 118 | 78.8 Ų | 78.8 | 51% | 0.513 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 120.8 | -175.8 | -73 | 176.3 | -170.2 | 163.2 | 0 | 109.6 | C226 C229 F233 | C226-K231 HydrophobicContact CB-CB 4.46Å; C226-K231 WeakPolarHBondContact CB-O 3.18Å; C226-K231 PolarHBondContact N-O 3.27Å; C229-K231 PolarHBondContact O-N 2.89Å; C229-K231 VanDerWaalsContact SG-CD 3.59Å; K231-F233 HydrophobicContact CB-CE2 3.79Å; K231-F233 HydrophobicContact CB-CZ 4.12Å; K231-F233 VanDerWaalsContact O-CD2 3.28Å; K231-F233 WeakPolarHBondContact O-CD2 3.29Å; K231-F233 WeakPolarHBondContact O-CE2 3.36Å |
| 232 | T | 88.2 | Confident | 87.1 | Confident | 59 Ų | 59 | 73 Ų | 73 | 36% | 0.362 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 141.2 | -177.4 | 53.7 | 0 | 0 | 0 | 0 | 111.8 | R222 F224 E225 G230 | R222-T232 VanDerWaalsContact CB-CB 3.48Å; R222-T232 WeakPolarHBondContact CD-O 3.06Å; R222-T232 WeakPolarHBondContact CD-OG1 3.43Å; F224-T232 CarbonylContact O-C 3.37Å; E225-T232 HydrophobicContact CB-CG2 3.95Å; E225-T232 HydrophobicContact CG-CG2 3.81Å; G230-T232 PolarHBondContact O-N 2.79Å |
| 233 | F | 87.3 | Confident | 88.3 | Confident | 45 Ų | 45 | 70.6 Ų | 70.6 | 20% | 0.197 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 149.3 | -171.7 | -65.7 | -91.9 | 0 | 0 | 0 | 111.8 | R222 S223 F224 C226 K231 R235 L239 H242 | R222-F233 CarbonylContact C-O 3.58Å; R222-F233 WeakPolarHBondContact CA-O 3.27Å; S223-F233 PolarHBondContact N-O 3.47Å; F224-F233 HydrophobicContact CB-CB 4.26Å; F224-F233 PolarHBondContact N-O 2.92Å; F224-F233 PolarHBondContact O-N 3.15Å; C226-F233 HydrophobicContact CB-CE2 4.24Å; K231-F233 HydrophobicContact CB-CE2 3.79Å; K231-F233 HydrophobicContact CB-CZ 4.12Å; K231-F233 VanDerWaalsContact O-CD2 3.28Å; K231-F233 WeakPolarHBondContact O-CD2 3.29Å; K231-F233 WeakPolarHBondContact O-CE2 3.36Å; F233-R235 VanDerWaalsContact C-N 3.33Å; F233-R235 PolarHBondContact O-N 3.09Å; F233-L239 HydrophobicContact CB-CB 4.29Å; F233-L239 HydrophobicContact CD2-CB 4.08Å; F233-L239 HydrophobicContact CD2-CD1 3.9Å; F233-L239 HydrophobicContact CE2-CD1 4.09Å; F233-L239 HydrophobicContact CG-CB 4.26Å; F233-H242 HydrophobicContact CE1-CB 3.97Å; F233-H242 HydrophobicContact CE2-CB 4.1Å; F233-H242 AromaticContact CE2-CD2 3.29Å; F233-H242 WeakPolarHBondContact CE2-CD2 3.24Å; F233-H242 AromaticContact CE2-CG 3.82Å; F233-H242 HydrophobicContact CZ-CB 3.57Å; F233-H242 AromaticContact CZ-CD2 3.27Å; F233-H242 WeakPolarHBondContact CZ-CD2 3.36Å; F233-H242 AromaticContact CZ-CG 3.33Å; F233-H242 AromaticContact CZ-NE2 3.99Å |
| 234 | K | 86 | Confident | 89 | Confident | 61 Ų | 61 | 68 Ų | 68 | 27% | 0.265 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -83.4 | -3 | -179.6 | -66.2 | -169.4 | 156.2 | -160.1 | 0 | 114.1 | N216 V217 S219 R222 | N216-K234 HydrophobicContact CB-CB 4.4Å; N216-K234 PolarHBondContact ND2-O 2.89Å; N216-K234 WeakPolarHBondContact O-CD 3.37Å; N216-K234 WeakPolarHBondContact O-CE 3.41Å; N216-K234 PolarHBondContact O-NZ 2.95Å; V217-K234 PolarHBondContact O-NZ 3.28Å; S219-K234 PolarHBondContact O-NZ 2.85Å; R222-K234 HydrophobicContact CG-CG 3.81Å |
| 235 | R | 85.7 | Confident | 89.2 | Confident | 100 Ų | 100 | 69.2 Ų | 69.2 | 38% | 0.377 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -152.5 | 142.7 | 177.5 | -51.1 | -175.6 | -62.1 | -179.9 | 2.2 | 111.3 | Q213 F233 S237 T238 L239 | Q213-R235 HydrophobicContact CG-CG 4.29Å; F233-R235 VanDerWaalsContact C-N 3.33Å; F233-R235 PolarHBondContact O-N 3.09Å; R235-S237 PolarHBondContact O-N 3.24Å; R235-T238 PolarHBondContact N-OG1 3.09Å; R235-T238 PolarHBondContact O-N 2.87Å; R235-T238 VanDerWaalsContact O-N 3.11Å; R235-T238 PolarHBondContact O-OG1 3.38Å; R235-L239 PolarHBondContact O-N 3.25Å |
| 236 | S | 87.9 | Confident | 89.2 | Confident | 63 Ų | 63 | 67.7 Ų | 67.7 | 44% | 0.441 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -52.9 | -49 | 173.6 | -179.5 | 0 | 0 | 0 | 0 | 112.3 | F224 T238 L239 S240 | F224-S236 VanDerWaalsContact CD2-N 3.33Å; S236-T238 PolarHBondContact O-N 3.11Å; S236-T238 VanDerWaalsContact O-N 3.09Å; S236-L239 CarbonylContact O-C 3.35Å; S236-L239 WeakPolarHBondContact O-CA 3.34Å; S236-L239 WeakPolarHBondContact O-CB 3.37Å; S236-L239 PolarHBondContact O-N 2.76Å; S236-S240 PolarHBondContact O-N 2.71Å; S236-S240 PolarHBondContact O-OG 3.08Å; S236-S240 VanDerWaalsContact O-OG 3.09Å |
| 237 | S | 88.3 | Confident | 88.7 | Confident | 65 Ų | 65 | 70.8 Ų | 70.8 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.6 | -23.1 | -179.7 | 57.3 | 0 | 0 | 0 | 0 | 114.9 | R235 T241 | R235-S237 PolarHBondContact O-N 3.24Å; S237-T241 PolarHBondContact O-N 3.09Å; S237-T241 PolarHBondContact O-OG1 3.22Å |
| 238 | T | 89.6 | Confident | 88.2 | Confident | 38 Ų | 38 | 66.9 Ų | 66.9 | 23% | 0.233 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -83.4 | -25.4 | 171.7 | 45.9 | 0 | 0 | 0 | 0 | 113.3 | R235 S236 H242 | R235-T238 PolarHBondContact N-OG1 3.09Å; R235-T238 PolarHBondContact O-N 2.87Å; R235-T238 VanDerWaalsContact O-N 3.11Å; R235-T238 PolarHBondContact O-OG1 3.38Å; S236-T238 PolarHBondContact O-N 3.11Å; S236-T238 VanDerWaalsContact O-N 3.09Å; T238-H242 WeakPolarHBondContact O-CB 3.46Å; T238-H242 PolarHBondContact O-N 2.86Å |
| 239 | L | 90.9 | Very high | 88.1 | Confident | 24 Ų | 24 | 63.6 Ų | 63.6 | 13% | 0.126 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.8 | -46.8 | 165 | 173.1 | 60.8 | 0 | 0 | 0 | 110.3 | F224 E225 C226 F233 R235 S236 T241 H242 L243 | F224-L239 HydrophobicContact CB-CB 4.12Å; F224-L239 HydrophobicContact CB-CD2 3.94Å; E225-L239 WeakPolarHBondContact O-CD2 3.45Å; C226-L239 HydrophobicContact CB-CD1 3.57Å; F233-L239 HydrophobicContact CB-CB 4.29Å; F233-L239 HydrophobicContact CD2-CB 4.08Å; F233-L239 HydrophobicContact CD2-CD1 3.9Å; F233-L239 HydrophobicContact CE2-CD1 4.09Å; F233-L239 HydrophobicContact CG-CB 4.26Å; R235-L239 PolarHBondContact O-N 3.25Å; S236-L239 CarbonylContact O-C 3.35Å; S236-L239 WeakPolarHBondContact O-CA 3.34Å; S236-L239 WeakPolarHBondContact O-CB 3.37Å; S236-L239 PolarHBondContact O-N 2.76Å; L239-T241 VanDerWaalsContact C-N 3.33Å; L239-T241 PolarHBondContact O-N 2.91Å; L239-H242 CarbonylContact O-C 3.22Å; L239-H242 WeakPolarHBondContact O-CA 3.31Å; L239-H242 WeakPolarHBondContact O-CB 3.5Å; L239-H242 PolarHBondContact O-N 3.16Å; L239-L243 HydrophobicContact CD1-CD1 4.41Å; L239-L243 HydrophobicContact CD1-CD2 4.21Å; L239-L243 HydrophobicContact CD1-CG 4.06Å; L239-L243 HydrophobicContact CG-CD1 4.25Å; L239-L243 HydrophobicContact CG-CG 4.35Å; L239-L243 WeakPolarHBondContact O-CG 3.19Å; L239-L243 PolarHBondContact O-N 3.07Å |
| 240 | S | 90.6 | Very high | 88 | Confident | 61 Ų | 61 | 66.7 Ų | 66.7 | 43% | 0.427 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56 | -45 | 179.5 | -46.3 | 0 | 0 | 0 | 0 | 112.5 | S236 H242 L243 | S236-S240 PolarHBondContact O-N 2.71Å; S236-S240 PolarHBondContact O-OG 3.08Å; S236-S240 VanDerWaalsContact O-OG 3.09Å; S240-H242 VanDerWaalsContact C-N 3.3Å; S240-H242 PolarHBondContact O-N 2.75Å; S240-L243 PolarHBondContact O-N 3Å |
| 241 | T | 90.3 | Very high | 88.2 | Confident | 52 Ų | 52 | 67.5 Ų | 67.5 | 32% | 0.319 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -74.4 | -17.2 | 176.4 | 48.6 | 0 | 0 | 0 | 0 | 113.8 | S237 L239 | S237-T241 PolarHBondContact O-N 3.09Å; S237-T241 PolarHBondContact O-OG1 3.22Å; L239-T241 VanDerWaalsContact C-N 3.33Å; L239-T241 PolarHBondContact O-N 2.91Å |
| 242 | H | 90.9 | Very high | 88.6 | Confident | 20 Ų | 20 | 66.1 Ų | 66.1 | 9% | 0.093 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -79.6 | -36.4 | 169 | 172 | 51.4 | 0 | 0 | 0 | 112.5 | C229 F233 T238 L239 S240 L244 I245 H246 | C229-H242 PolarHBondContact SG-NE2 3.41Å; F233-H242 HydrophobicContact CE1-CB 3.97Å; F233-H242 HydrophobicContact CE2-CB 4.1Å; F233-H242 AromaticContact CE2-CD2 3.29Å; F233-H242 WeakPolarHBondContact CE2-CD2 3.24Å; F233-H242 AromaticContact CE2-CG 3.82Å; F233-H242 HydrophobicContact CZ-CB 3.57Å; F233-H242 AromaticContact CZ-CD2 3.27Å; F233-H242 WeakPolarHBondContact CZ-CD2 3.36Å; F233-H242 AromaticContact CZ-CG 3.33Å; F233-H242 AromaticContact CZ-NE2 3.99Å; T238-H242 WeakPolarHBondContact O-CB 3.46Å; T238-H242 PolarHBondContact O-N 2.86Å; L239-H242 CarbonylContact O-C 3.22Å; L239-H242 WeakPolarHBondContact O-CA 3.31Å; L239-H242 WeakPolarHBondContact O-CB 3.5Å; L239-H242 PolarHBondContact O-N 3.16Å; S240-H242 VanDerWaalsContact C-N 3.3Å; S240-H242 PolarHBondContact O-N 2.75Å; H242-L244 PolarHBondContact O-N 2.87Å; H242-I245 VanDerWaalsContact O-CB 3.26Å; H242-I245 WeakPolarHBondContact O-CB 3.37Å; H242-I245 WeakPolarHBondContact O-CG1 3.48Å; H242-I245 PolarHBondContact O-N 3.2Å; H242-H246 AromaticContact CD2-NE2 3.33Å; H242-H246 PolarHBondContact CD2-NE2 2.81Å; H242-H246 VanDerWaalsContact CD2-NE2 3.33Å; H242-H246 AromaticContact CE1-NE2 2.89Å; H242-H246 PolarHBondContact CE1-NE2 3.49Å; H242-H246 AromaticContact ND1-NE2 3.97Å; H242-H246 AromaticContact NE2-CD2 3.83Å; H242-H246 AromaticContact NE2-NE2 2.34Å; H242-H246 PolarHBondContact NE2-NE2 2.77Å |
| 243 | L | 91.1 | Very high | 88.9 | Confident | 72 Ų | 72 | 66.1 Ų | 66.1 | 38% | 0.377 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.6 | -23.1 | 177.3 | -67.8 | 173.4 | 0 | 0 | 0 | 113.1 | L239 S240 I245 H246 S247 | L239-L243 HydrophobicContact CD1-CD1 4.41Å; L239-L243 HydrophobicContact CD1-CD2 4.21Å; L239-L243 HydrophobicContact CD1-CG 4.06Å; L239-L243 HydrophobicContact CG-CD1 4.25Å; L239-L243 HydrophobicContact CG-CG 4.35Å; L239-L243 WeakPolarHBondContact O-CG 3.19Å; L239-L243 PolarHBondContact O-N 3.07Å; S240-L243 PolarHBondContact O-N 3Å; L243-I245 PolarHBondContact O-N 2.96Å; L243-H246 PolarHBondContact O-N 3.25Å; L243-H246 VanDerWaalsContact O-N 3.09Å; L243-S247 PolarHBondContact O-N 3.03Å; L243-S247 PolarHBondContact O-OG 3.07Å |
| 244 | L | 91.1 | Very high | 89.3 | Confident | 35 Ų | 35 | 64 Ų | 64 | 18% | 0.183 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -24.6 | 169.7 | -58.7 | 179.1 | 0 | 0 | 0 | 113.2 | H242 T249 P251 H262 | H242-L244 PolarHBondContact O-N 2.87Å; L244-T249 WeakPolarHBondContact CD2-OG1 3.32Å; L244-P251 HydrophobicContact CD1-CG 4.26Å; L244-H262 HydrophobicContact CB-CB 4.03Å; L244-H262 HydrophobicContact CD1-CB 4.24Å; L244-H262 VanDerWaalsContact CD1-O 3.25Å; L244-H262 WeakPolarHBondContact CD1-O 3.22Å; L244-H262 PolarHBondContact O-CE1 3.34Å; L244-H262 PolarHBondContact O-ND1 3.12Å |
| 245 | I | 88.9 | Confident | 89.7 | Confident | 97 Ų | 97 | 70 Ų | 70 | 50% | 0.497 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -27.6 | 177.6 | -54.5 | -179.6 | 0 | 0 | 0 | 111.3 | H242 L243 | H242-I245 VanDerWaalsContact O-CB 3.26Å; H242-I245 WeakPolarHBondContact O-CB 3.37Å; H242-I245 WeakPolarHBondContact O-CG1 3.48Å; H242-I245 PolarHBondContact O-N 3.2Å; L243-I245 PolarHBondContact O-N 2.96Å |
| 246 | H | 88.7 | Confident | 90.1 | Very high | 82 Ų | 82 | 71.9 Ų | 71.9 | 38% | 0.38 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -7.2 | -179.6 | -65.3 | -71.9 | 0 | 0 | 0 | 114.1 | C226 M228 C229 H242 L243 | C226-H246 VanDerWaalsContact SG-CD2 3.57Å; C226-H246 PolarHBondContact SG-NE2 3.49Å; M228-H246 HydrophobicContact CG-CB 4.39Å; C229-H246 WeakPolarHBondContact CB-CE1 3.21Å; C229-H246 PolarHBondContact SG-CE1 2.86Å; C229-H246 PolarHBondContact SG-NE2 2.81Å; H242-H246 AromaticContact CD2-NE2 3.33Å; H242-H246 PolarHBondContact CD2-NE2 2.81Å; H242-H246 VanDerWaalsContact CD2-NE2 3.33Å; H242-H246 AromaticContact CE1-NE2 2.89Å; H242-H246 PolarHBondContact CE1-NE2 3.49Å; H242-H246 AromaticContact ND1-NE2 3.97Å; H242-H246 AromaticContact NE2-CD2 3.83Å; H242-H246 AromaticContact NE2-NE2 2.34Å; H242-H246 PolarHBondContact NE2-NE2 2.77Å; L243-H246 PolarHBondContact O-N 3.25Å; L243-H246 VanDerWaalsContact O-N 3.09Å |
| 247 | S | 82.1 | Confident | 90.4 | Very high | 66 Ų | 66 | 71.4 Ų | 71.4 | 46% | 0.462 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -119.2 | 8.2 | -173.8 | 50.5 | 0 | 0 | 0 | 0 | 113.1 | L243 T249 | L243-S247 PolarHBondContact O-N 3.03Å; L243-S247 PolarHBondContact O-OG 3.07Å; S247-T249 PolarHBondContact O-N 3.3Å; S247-T249 PolarHBondContact OG-OG1 2.96Å |
| 248 | D | 78.6 | Confident | 90.6 | Very high | 122 Ų | 122 | 70.6 Ų | 70.6 | 65% | 0.652 | 38% | 0.38 | S | S | * | . | trans | 50.5 | 1.5 | -168.9 | -81.5 | -54.3 | 0 | 0 | 0 | 116.8 | R250 | D248-R250 WeakPolarHBondContact O-CG 3.3Å; D248-R250 PolarHBondContact O-N 3.47Å | ||
| 249 | T | 86.5 | Confident | 90.8 | Very high | 67 Ų | 67 | 75 Ų | 75 | 41% | 0.411 | 40% | 0.396 | S | S | . | . | trans | -65.2 | 109.4 | -179.4 | 54.5 | 0 | 0 | 0 | 0 | 110.7 | L244 S247 P251 H262 | L244-T249 WeakPolarHBondContact CD2-OG1 3.32Å; S247-T249 PolarHBondContact O-N 3.3Å; S247-T249 PolarHBondContact OG-OG1 2.96Å; T249-P251 VanDerWaalsContact C-CD 3.48Å; T249-P251 WeakPolarHBondContact O-CD 3.17Å; T249-H262 PolarHBondContact O-ND1 2.72Å | ||
| 250 | R | 90.3 | Very high | 90.9 | Very high | 109 Ų | 109 | 80 Ų | 80 | 41% | 0.411 | 41% | 0.413 | S | S | . | . | trans | -114.7 | 80.8 | 177.1 | -67.9 | 159.1 | -176.1 | -105.7 | 3.6 | 108.6 | D248 Y252 R260 F261 H262 | D248-R250 WeakPolarHBondContact O-CG 3.3Å; D248-R250 PolarHBondContact O-N 3.47Å; R250-Y252 PolarHBondContact O-N 3.01Å; R250-R260 HydrophobicContact CB-CB 3.42Å; R250-R260 VanDerWaalsContact CB-CB 3.42Å; R250-R260 HydrophobicContact CG-CB 4.38Å; R250-R260 PolarHBondContact NH1-O 3.11Å; R250-R260 PolarHBondContact O-NE 3.06Å; R250-R260 PolarHBondContact O-NH2 2.88Å; R250-F261 CarbonylContact C-O 3.14Å; R250-F261 WeakPolarHBondContact CA-O 3.23Å; R250-H262 WeakPolarHBondContact CG-CE1 3.17Å | ||
| 251 | P | 91.6 | Very high | 91 | Very high | 61 Ų | 61 | 79.1 Ų | 79.1 | 40% | 0.396 | 40% | 0.402 | S | S | . | . | trans | -67.5 | -15.7 | -170.6 | 23.5 | -33.2 | 0 | 0 | 0 | 114.5 | L244 T249 P253 | L244-P251 HydrophobicContact CD1-CG 4.26Å; T249-P251 VanDerWaalsContact C-CD 3.48Å; T249-P251 WeakPolarHBondContact O-CD 3.17Å; P251-P253 WeakPolarHBondContact O-CD 3.14Å | ||
| 252 | Y | 95.3 | Very high | 91.1 | Very high | 90 Ų | 90 | 78.3 Ų | 78.3 | 35% | 0.353 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 94 | -175.7 | -52.2 | -69.1 | 0 | 0 | 0 | 112.1 | R250 F261 H262 K264 | R250-Y252 PolarHBondContact O-N 3.01Å; Y252-F261 PolarHBondContact N-O 2.99Å; Y252-F261 VanDerWaalsContact N-O 3.14Å; Y252-F261 PolarHBondContact O-N 3.47Å; Y252-H262 WeakPolarHBondContact CE2-O 3.27Å; Y252-K264 HydrophobicContact CD1-CB 3.86Å; Y252-K264 HydrophobicContact CD1-CG 4.32Å; Y252-K264 HydrophobicContact CD2-CB 4.33Å; Y252-K264 HydrophobicContact CE1-CB 3.84Å; Y252-K264 HydrophobicContact CE1-CG 4.47Å; Y252-K264 HydrophobicContact CE2-CB 4.29Å; Y252-K264 VanDerWaalsContact CE2-N 3.35Å; Y252-K264 HydrophobicContact CG-CB 4.1Å |
| 253 | P | 95.3 | Very high | 91.2 | Very high | 58 Ų | 58 | 81.1 Ų | 81.1 | 38% | 0.377 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 150.9 | 171.3 | 32 | -35.3 | 0 | 0 | 0 | 111.7 | P251 R260 | P251-P253 WeakPolarHBondContact O-CD 3.14Å; P253-R260 HydrophobicContact CB-CG 4.23Å |
| 254 | C | 95.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 84.5 Ų | 84.5 | 1% | 0.014 | 42% | 0.419 | C | S | . | . | trans | -85.4 | 126.6 | 165.7 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | Y256 C257 G258 K259 F261 H270 | C254-Y256 VanDerWaalsContact C-N 3.26Å; C254-Y256 PolarHBondContact O-N 2.89Å; C254-C257 PolarHBondContact O-N 2.97Å; C254-G258 WeakPolarHBondContact O-CA 3.42Å; C254-G258 PolarHBondContact O-N 2.74Å; C254-K259 WeakPolarHBondContact CB-O 3.38Å; C254-K259 PolarHBondContact N-O 3.05Å; C254-F261 HydrophobicContact CB-CE2 4.26Å; C254-H270 VanDerWaalsContact SG-CD2 3.59Å | ||
| 255 | Q | 94.7 | Very high | 91.3 | Very high | 186 Ų | 186 | 85.3 Ų | 85.3 | 87% | 0.869 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -27.5 | -178.9 | -70.1 | 171 | -45.5 | 0 | 0 | 113.6 | ||
| 256 | Y | 93.7 | Very high | 91.5 | Very high | 139 Ų | 139 | 83.4 Ų | 83.4 | 55% | 0.545 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -21.5 | -176.9 | -60 | -75.3 | 0 | 0 | 0 | 114.8 | C254 T271 H274 T275 | C254-Y256 VanDerWaalsContact C-N 3.26Å; C254-Y256 PolarHBondContact O-N 2.89Å; Y256-T271 HydrophobicContact CD2-CG2 4.12Å; Y256-T271 HydrophobicContact CE2-CG2 4.03Å; Y256-H274 VanDerWaalsContact CB-CG 3.49Å; Y256-H274 HydrophobicContact CD1-CB 4.19Å; Y256-H274 HydrophobicContact CD2-CB 3.69Å; Y256-H274 AromaticContact CD2-CD2 3.87Å; Y256-H274 AromaticContact CD2-CG 3.89Å; Y256-H274 HydrophobicContact CE2-CB 4.24Å; Y256-H274 HydrophobicContact CG-CB 3.66Å; Y256-H274 AromaticContact CG-CG 3.79Å; Y256-T275 HydrophobicContact CE2-CG2 4.18Å |
| 257 | C | 94.5 | Very high | 91.9 | Very high | 53 Ų | 53 | 81.1 Ų | 81.1 | 36% | 0.358 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -152.4 | 11.5 | -170.8 | 67.5 | 0 | 0 | 0 | 0 | 115.4 | C254 K259 H270 H274 | C254-C257 PolarHBondContact O-N 2.97Å; C257-K259 PolarHBondContact O-N 3.47Å; C257-H270 PolarHBondContact SG-NE2 2.84Å; C257-H274 VanDerWaalsContact SG-CE1 3.57Å; C257-H274 PolarHBondContact SG-NE2 3.49Å |
| 258 | G | 91.3 | Very high | 92.4 | Very high | 48 Ų | 48 | 83.9 Ų | 83.9 | 50% | 0.495 | 41% | 0.412 | S | S | . | . | trans | 70.2 | -23.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | C254 R260 | C254-G258 WeakPolarHBondContact O-CA 3.42Å; C254-G258 PolarHBondContact O-N 2.74Å; G258-R260 WeakPolarHBondContact O-CG 3.41Å; G258-R260 PolarHBondContact O-N 2.79Å | ||
| 259 | K | 94.3 | Very high | 93.1 | Very high | 131 Ų | 131 | 82.3 Ų | 82.3 | 57% | 0.57 | 40% | 0.399 | S | S | * | . | trans | -50.9 | 130.6 | -175.1 | -67.6 | -169.8 | 176.7 | -170.8 | 0 | 111.9 | C254 C257 F261 | C254-K259 WeakPolarHBondContact CB-O 3.38Å; C254-K259 PolarHBondContact N-O 3.05Å; C257-K259 PolarHBondContact O-N 3.47Å; K259-F261 HydrophobicContact CB-CE2 4.28Å; K259-F261 WeakPolarHBondContact O-CD2 3.28Å; K259-F261 VanDerWaalsContact O-CE2 3.27Å; K259-F261 WeakPolarHBondContact O-CE2 3.32Å | ||
| 260 | R | 93.8 | Very high | 93.5 | Very high | 128 Ų | 128 | 80.6 Ų | 80.6 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 139.4 | -167.3 | -50.5 | -171.7 | 64.9 | 113.9 | 2.7 | 113.2 | R250 P253 G258 | R250-R260 HydrophobicContact CB-CB 3.42Å; R250-R260 VanDerWaalsContact CB-CB 3.42Å; R250-R260 HydrophobicContact CG-CB 4.38Å; R250-R260 PolarHBondContact NH1-O 3.11Å; R250-R260 PolarHBondContact O-NE 3.06Å; R250-R260 PolarHBondContact O-NH2 2.88Å; P253-R260 HydrophobicContact CB-CG 4.23Å; G258-R260 WeakPolarHBondContact O-CG 3.41Å; G258-R260 PolarHBondContact O-N 2.79Å |
| 261 | F | 93.3 | Very high | 93.7 | Very high | 44 Ų | 44 | 76.3 Ų | 76.3 | 19% | 0.193 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 151.8 | -174 | -59.5 | -93 | 0 | 0 | 0 | 112.3 | R250 Y252 C254 K259 D266 M267 H270 | R250-F261 CarbonylContact C-O 3.14Å; R250-F261 WeakPolarHBondContact CA-O 3.23Å; Y252-F261 PolarHBondContact N-O 2.99Å; Y252-F261 VanDerWaalsContact N-O 3.14Å; Y252-F261 PolarHBondContact O-N 3.47Å; C254-F261 HydrophobicContact CB-CE2 4.26Å; K259-F261 HydrophobicContact CB-CE2 4.28Å; K259-F261 WeakPolarHBondContact O-CD2 3.28Å; K259-F261 VanDerWaalsContact O-CE2 3.27Å; K259-F261 WeakPolarHBondContact O-CE2 3.32Å; F261-D266 HydrophobicContact CD1-CB 4.26Å; F261-M267 HydrophobicContact CB-CB 4.1Å; F261-M267 HydrophobicContact CD2-CB 3.72Å; F261-M267 HydrophobicContact CD2-CG 3.89Å; F261-M267 HydrophobicContact CE2-CB 4.49Å; F261-M267 HydrophobicContact CE2-CG 4.43Å; F261-M267 HydrophobicContact CG-CB 4.01Å; F261-H270 HydrophobicContact CE1-CB 4.02Å; F261-H270 HydrophobicContact CE2-CB 4.05Å; F261-H270 AromaticContact CE2-CD2 3.64Å; F261-H270 AromaticContact CE2-CG 3.89Å; F261-H270 HydrophobicContact CZ-CB 3.51Å; F261-H270 AromaticContact CZ-CD2 3.54Å; F261-H270 AromaticContact CZ-CG 3.35Å; F261-H270 AromaticContact CZ-ND1 3.9Å |
| 262 | H | 91.6 | Very high | 93.9 | Very high | 35 Ų | 35 | 75.5 Ų | 75.5 | 16% | 0.162 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -79.2 | -16.3 | 174.1 | -51.3 | -77.1 | 0 | 0 | 0 | 113.2 | L244 T249 R250 Y252 | L244-H262 HydrophobicContact CB-CB 4.03Å; L244-H262 HydrophobicContact CD1-CB 4.24Å; L244-H262 VanDerWaalsContact CD1-O 3.25Å; L244-H262 WeakPolarHBondContact CD1-O 3.22Å; L244-H262 PolarHBondContact O-CE1 3.34Å; L244-H262 PolarHBondContact O-ND1 3.12Å; T249-H262 PolarHBondContact O-ND1 2.72Å; R250-H262 WeakPolarHBondContact CG-CE1 3.17Å; Y252-H262 WeakPolarHBondContact CE2-O 3.27Å |
| 263 | Q | 92 | Very high | 93.8 | Very high | 79 Ų | 79 | 77.1 Ų | 77.1 | 37% | 0.369 | 38% | 0.375 | S | S | . | . | trans | -133.2 | 139.3 | 176.2 | -53.1 | -170.8 | 17 | 0 | 0 | 113.1 | S265 D266 M267 | Q263-S265 WeakPolarHBondContact CB-OG 3.28Å; Q263-S265 PolarHBondContact O-N 3.49Å; Q263-S265 PolarHBondContact OE1-OG 3.04Å; Q263-S265 VanDerWaalsContact OE1-OG 3.07Å; Q263-D266 PolarHBondContact O-N 3.5Å; Q263-D266 VanDerWaalsContact O-N 3.15Å; Q263-M267 PolarHBondContact O-N 2.76Å; Q263-M267 VanDerWaalsContact O-N 3.11Å | ||
| 264 | K | 93.2 | Very high | 93.8 | Very high | 143 Ų | 143 | 77.9 Ų | 77.9 | 62% | 0.622 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.1 | -31.9 | 175.6 | -171.2 | 174.9 | -177.8 | 175.3 | 0 | 112.5 | Y252 M267 K268 | Y252-K264 HydrophobicContact CD1-CB 3.86Å; Y252-K264 HydrophobicContact CD1-CG 4.32Å; Y252-K264 HydrophobicContact CD2-CB 4.33Å; Y252-K264 HydrophobicContact CE1-CB 3.84Å; Y252-K264 HydrophobicContact CE1-CG 4.47Å; Y252-K264 HydrophobicContact CE2-CB 4.29Å; Y252-K264 VanDerWaalsContact CE2-N 3.35Å; Y252-K264 HydrophobicContact CG-CB 4.1Å; K264-M267 HydrophobicContact CG-CE 4.39Å; K264-K268 PolarHBondContact O-N 3.24Å |
| 265 | S | 92 | Very high | 93.6 | Very high | 51 Ų | 51 | 80.5 Ų | 80.5 | 36% | 0.357 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 173.8 | 46.1 | 0 | 0 | 0 | 0 | 112.4 | Q263 K269 | Q263-S265 WeakPolarHBondContact CB-OG 3.28Å; Q263-S265 PolarHBondContact O-N 3.49Å; Q263-S265 PolarHBondContact OE1-OG 3.04Å; Q263-S265 VanDerWaalsContact OE1-OG 3.07Å; S265-K269 WeakPolarHBondContact O-CG 3.32Å; S265-K269 PolarHBondContact O-N 2.84Å; S265-K269 VanDerWaalsContact O-N 3.09Å |
| 266 | D | 93.4 | Very high | 93.5 | Very high | 57 Ų | 57 | 73.7 Ų | 73.7 | 31% | 0.305 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -79.2 | -36.1 | -178.3 | -62.8 | -41.5 | 0 | 0 | 0 | 111.8 | F261 Q263 K268 K269 H270 | F261-D266 HydrophobicContact CD1-CB 4.26Å; Q263-D266 PolarHBondContact O-N 3.5Å; Q263-D266 VanDerWaalsContact O-N 3.15Å; D266-K268 VanDerWaalsContact C-N 3.34Å; D266-K268 PolarHBondContact O-N 2.93Å; D266-K269 PolarHBondContact O-N 3Å; D266-K269 WeakPolarHBondContact OD1-CE 3.41Å; D266-K269 IonicContact OD1-NZ 2.66Å; D266-K269 PolarHBondContact OD1-NZ 2.98Å; D266-H270 WeakPolarHBondContact O-CB 3.21Å; D266-H270 PolarHBondContact O-N 3.27Å |
| 267 | M | 95.7 | Very high | 93.4 | Very high | 34 Ų | 34 | 71.9 Ų | 71.9 | 17% | 0.167 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -56.7 | -46 | 167.6 | -173.7 | -79.2 | -71.6 | 0 | 0 | 111.2 | F261 Q263 K264 K269 H270 T271 | F261-M267 HydrophobicContact CB-CB 4.1Å; F261-M267 HydrophobicContact CD2-CB 3.72Å; F261-M267 HydrophobicContact CD2-CG 3.89Å; F261-M267 HydrophobicContact CE2-CB 4.49Å; F261-M267 HydrophobicContact CE2-CG 4.43Å; F261-M267 HydrophobicContact CG-CB 4.01Å; Q263-M267 PolarHBondContact O-N 2.76Å; Q263-M267 VanDerWaalsContact O-N 3.11Å; K264-M267 HydrophobicContact CG-CE 4.39Å; M267-K269 PolarHBondContact O-N 3.19Å; M267-H270 WeakPolarHBondContact O-CA 3.39Å; M267-H270 WeakPolarHBondContact O-CB 3.44Å; M267-H270 PolarHBondContact O-N 3.21Å; M267-H270 VanDerWaalsContact O-N 3.09Å; M267-T271 PolarHBondContact O-N 3.22Å; M267-T271 HydrophobicContact SD-CG2 3.89Å |
| 268 | K | 94.2 | Very high | 93.4 | Very high | 125 Ų | 125 | 75.4 Ų | 75.4 | 54% | 0.543 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.5 | -32 | 175.8 | -176.9 | 168.4 | -179.3 | 172.8 | 0 | 113.6 | K264 D266 H270 T271 Y272 | K264-K268 PolarHBondContact O-N 3.24Å; D266-K268 VanDerWaalsContact C-N 3.34Å; D266-K268 PolarHBondContact O-N 2.93Å; K268-H270 VanDerWaalsContact C-N 3.28Å; K268-T271 PolarHBondContact O-OG1 2.76Å; K268-Y272 WeakPolarHBondContact CE-OH 3.46Å |
| 269 | K | 93.6 | Very high | 93.4 | Very high | 89 Ų | 89 | 76.9 Ų | 76.9 | 39% | 0.387 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.8 | -32.1 | 171.1 | -67.4 | 165.4 | -155.2 | 165.5 | 0 | 111.7 | S265 D266 M267 | S265-K269 WeakPolarHBondContact O-CG 3.32Å; S265-K269 PolarHBondContact O-N 2.84Å; S265-K269 VanDerWaalsContact O-N 3.09Å; D266-K269 PolarHBondContact O-N 3Å; D266-K269 WeakPolarHBondContact OD1-CE 3.41Å; D266-K269 IonicContact OD1-NZ 2.66Å; D266-K269 PolarHBondContact OD1-NZ 2.98Å; M267-K269 PolarHBondContact O-N 3.19Å |
| 270 | H | 94.7 | Very high | 93.5 | Very high | 30 Ų | 30 | 73.6 Ų | 73.6 | 14% | 0.139 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -74.8 | -33.6 | 178 | 175 | 71.9 | 0 | 0 | 0 | 112.7 | C254 C257 F261 D266 M267 K268 Y272 I273 H274 | C254-H270 VanDerWaalsContact SG-CD2 3.59Å; C257-H270 PolarHBondContact SG-NE2 2.84Å; F261-H270 HydrophobicContact CE1-CB 4.02Å; F261-H270 HydrophobicContact CE2-CB 4.05Å; F261-H270 AromaticContact CE2-CD2 3.64Å; F261-H270 AromaticContact CE2-CG 3.89Å; F261-H270 HydrophobicContact CZ-CB 3.51Å; F261-H270 AromaticContact CZ-CD2 3.54Å; F261-H270 AromaticContact CZ-CG 3.35Å; F261-H270 AromaticContact CZ-ND1 3.9Å; D266-H270 WeakPolarHBondContact O-CB 3.21Å; D266-H270 PolarHBondContact O-N 3.27Å; M267-H270 WeakPolarHBondContact O-CA 3.39Å; M267-H270 WeakPolarHBondContact O-CB 3.44Å; M267-H270 PolarHBondContact O-N 3.21Å; M267-H270 VanDerWaalsContact O-N 3.09Å; K268-H270 VanDerWaalsContact C-N 3.28Å; H270-Y272 PolarHBondContact O-N 2.92Å; H270-Y272 VanDerWaalsContact O-N 3.15Å; H270-I273 WeakPolarHBondContact O-CB 3.38Å; H270-I273 PolarHBondContact O-N 2.8Å; H270-H274 AromaticContact CD2-NE2 3.78Å; H270-H274 AromaticContact CE1-NE2 3.64Å; H270-H274 AromaticContact NE2-CD2 3.88Å; H270-H274 AromaticContact NE2-NE2 3.05Å; H270-H274 PolarHBondContact NE2-NE2 3.16Å |
| 271 | T | 94.9 | Very high | 93.5 | Very high | 20 Ų | 20 | 73.4 Ų | 73.4 | 12% | 0.123 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59 | -28 | 177.2 | 49.6 | 0 | 0 | 0 | 0 | 113.4 | Y256 M267 K268 I273 H274 T275 | Y256-T271 HydrophobicContact CD2-CG2 4.12Å; Y256-T271 HydrophobicContact CE2-CG2 4.03Å; M267-T271 PolarHBondContact O-N 3.22Å; M267-T271 HydrophobicContact SD-CG2 3.89Å; K268-T271 PolarHBondContact O-OG1 2.76Å; T271-I273 PolarHBondContact O-N 3.12Å; T271-I273 VanDerWaalsContact O-N 3.12Å; T271-H274 PolarHBondContact O-N 2.9Å; T271-T275 PolarHBondContact O-N 3.03Å; T271-T275 PolarHBondContact O-OG1 3.44Å |
| 272 | Y | 94.6 | Very high | 93.6 | Very high | 43 Ų | 43 | 71.6 Ų | 71.6 | 17% | 0.169 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.2 | -15.5 | 173.5 | -55.9 | -31.3 | 0 | 0 | 0 | 114.8 | K268 H270 T275 G276 E277 S290 | K268-Y272 WeakPolarHBondContact CE-OH 3.46Å; H270-Y272 PolarHBondContact O-N 2.92Å; H270-Y272 VanDerWaalsContact O-N 3.15Å; Y272-T275 WeakPolarHBondContact CA-OG1 3.39Å; Y272-G276 WeakPolarHBondContact O-CA 3.47Å; Y272-G276 PolarHBondContact O-N 2.86Å; Y272-E277 HydrophobicContact CD1-CB 3.83Å; Y272-E277 WeakPolarHBondContact CD1-OE2 3.42Å; Y272-E277 HydrophobicContact CE1-CB 4.45Å; Y272-E277 HydrophobicContact CG-CB 4.46Å; Y272-S290 WeakPolarHBondContact CD2-O 3.28Å |
| 273 | I | 94.1 | Very high | 93.7 | Very high | 124 Ų | 124 | 78.1 Ų | 78.1 | 64% | 0.636 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -75.8 | -32.9 | 172.2 | -60.5 | 177.8 | 0 | 0 | 0 | 110.6 | H270 T271 | H270-I273 WeakPolarHBondContact O-CB 3.38Å; H270-I273 PolarHBondContact O-N 2.8Å; T271-I273 PolarHBondContact O-N 3.12Å; T271-I273 VanDerWaalsContact O-N 3.12Å |
| 274 | H | 93.8 | Very high | 93.7 | Very high | 75 Ų | 75 | 79.5 Ų | 79.5 | 35% | 0.347 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -88.2 | -41.6 | 179.8 | -55.6 | -74.9 | 0 | 0 | 0 | 112.2 | Y256 C257 H270 T271 G276 | Y256-H274 VanDerWaalsContact CB-CG 3.49Å; Y256-H274 HydrophobicContact CD1-CB 4.19Å; Y256-H274 HydrophobicContact CD2-CB 3.69Å; Y256-H274 AromaticContact CD2-CD2 3.87Å; Y256-H274 AromaticContact CD2-CG 3.89Å; Y256-H274 HydrophobicContact CE2-CB 4.24Å; Y256-H274 HydrophobicContact CG-CB 3.66Å; Y256-H274 AromaticContact CG-CG 3.79Å; C257-H274 VanDerWaalsContact SG-CE1 3.57Å; C257-H274 PolarHBondContact SG-NE2 3.49Å; H270-H274 AromaticContact CD2-NE2 3.78Å; H270-H274 AromaticContact CE1-NE2 3.64Å; H270-H274 AromaticContact NE2-CD2 3.88Å; H270-H274 AromaticContact NE2-NE2 3.05Å; H270-H274 PolarHBondContact NE2-NE2 3.16Å; T271-H274 PolarHBondContact O-N 2.9Å; H274-G276 VanDerWaalsContact C-N 3.3Å |
| 275 | T | 92.8 | Very high | 93.8 | Very high | 57 Ų | 57 | 75.2 Ų | 75.2 | 35% | 0.35 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -79.1 | -12.6 | 178 | 61.1 | 0 | 0 | 0 | 0 | 113.4 | Y256 T271 Y272 E277 | Y256-T275 HydrophobicContact CE2-CG2 4.18Å; T271-T275 PolarHBondContact O-N 3.03Å; T271-T275 PolarHBondContact O-OG1 3.44Å; Y272-T275 WeakPolarHBondContact CA-OG1 3.39Å; T275-E277 WeakPolarHBondContact CB-OE2 3.49Å; T275-E277 PolarHBondContact O-N 3.24Å; T275-E277 VanDerWaalsContact O-N 3.13Å; T275-E277 VanDerWaalsContact OG1-CG 3.31Å; T275-E277 WeakPolarHBondContact OG1-CG 3.43Å; T275-E277 PolarHBondContact OG1-OE2 3.12Å |
| 276 | G | 92.1 | Very high | 93.7 | Very high | 42 Ų | 42 | 74.6 Ų | 74.6 | 43% | 0.433 | 39% | 0.391 | S | S | . | . | trans | 68.5 | 1.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y272 H274 K278 | Y272-G276 WeakPolarHBondContact O-CA 3.47Å; Y272-G276 PolarHBondContact O-N 2.86Å; H274-G276 VanDerWaalsContact C-N 3.3Å; G276-K278 WeakPolarHBondContact O-CG 3.28Å; G276-K278 PolarHBondContact O-N 3.37Å | ||
| 277 | E | 92.8 | Very high | 93.8 | Very high | 102 Ų | 102 | 78.4 Ų | 78.4 | 48% | 0.477 | 41% | 0.405 | S | S | . | . | trans | -59.2 | 129.4 | -174.4 | -74.8 | 172.2 | 118.8 | 0 | 0 | 112.7 | Y272 T275 P279 | Y272-E277 HydrophobicContact CD1-CB 3.83Å; Y272-E277 WeakPolarHBondContact CD1-OE2 3.42Å; Y272-E277 HydrophobicContact CE1-CB 4.45Å; Y272-E277 HydrophobicContact CG-CB 4.46Å; T275-E277 WeakPolarHBondContact CB-OE2 3.49Å; T275-E277 PolarHBondContact O-N 3.24Å; T275-E277 VanDerWaalsContact O-N 3.13Å; T275-E277 VanDerWaalsContact OG1-CG 3.31Å; T275-E277 WeakPolarHBondContact OG1-CG 3.43Å; T275-E277 PolarHBondContact OG1-OE2 3.12Å; E277-P279 VanDerWaalsContact C-CD 3.5Å | ||
| 278 | K | 93.4 | Very high | 93.7 | Very high | 126 Ų | 126 | 78.7 Ų | 78.7 | 55% | 0.548 | 41% | 0.413 | S | S | . | . | trans | -129 | 67.5 | -178.4 | -72.2 | 161.9 | -169.7 | 170.3 | 0 | 110.5 | G276 H280 A288 F289 | G276-K278 WeakPolarHBondContact O-CG 3.28Å; G276-K278 PolarHBondContact O-N 3.37Å; K278-H280 PolarHBondContact O-N 2.93Å; K278-A288 HydrophobicContact CB-CB 3.65Å; K278-F289 CarbonylContact C-O 3.38Å; K278-F289 VanDerWaalsContact C-O 3.23Å; K278-F289 WeakPolarHBondContact CA-O 3.49Å | ||
| 279 | P | 92.2 | Very high | 93.7 | Very high | 80 Ų | 80 | 75 Ų | 75 | 52% | 0.519 | 40% | 0.397 | S | S | . | . | trans | -65.2 | -8.5 | -172.5 | 26 | -35.9 | 0 | 0 | 0 | 115 | E277 | E277-P279 VanDerWaalsContact C-CD 3.5Š| ||
| 280 | H | 95.2 | Very high | 93.7 | Very high | 61 Ų | 61 | 72.3 Ų | 72.3 | 28% | 0.282 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 88.5 | -178.4 | -56.2 | -63.1 | 0 | 0 | 0 | 111.2 | K278 F289 S292 L295 | K278-H280 PolarHBondContact O-N 2.93Å; H280-F289 HydrophobicContact CB-CB 4.41Å; H280-F289 WeakPolarHBondContact CB-O 3.48Å; H280-F289 PolarHBondContact N-O 3.2Å; H280-F289 PolarHBondContact O-N 2.89Å; H280-S292 PolarHBondContact CD2-N 3.48Å; H280-S292 PolarHBondContact NE2-N 2.95Å; H280-L295 HydrophobicContact CB-CB 4.09Å; H280-L295 HydrophobicContact CB-CD2 3.85Å |
| 281 | K | 95.1 | Very high | 93.6 | Very high | 125 Ų | 125 | 74.3 Ų | 74.3 | 54% | 0.543 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 136.2 | 178.6 | -163 | 176.5 | -179 | -179.7 | 0 | 112.2 | G286 A288 | K281-G286 VanDerWaalsContact CE-O 3.27Å; K281-G286 WeakPolarHBondContact CE-O 3.35Å; K281-G286 WeakPolarHBondContact CG-O 3.47Å; K281-A288 HydrophobicContact CB-CB 4.49Å; K281-A288 HydrophobicContact CG-CB 4.42Å |
| 282 | C | 94.9 | Very high | 93.5 | Very high | 6 Ų | 6 | 76.3 Ų | 76.3 | 4% | 0.041 | 41% | 0.414 | C | S | . | . | trans | -80.9 | 121.3 | 168.4 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | V284 G286 K287 F289 L295 H302 | C282-V284 VanDerWaalsContact C-N 3.34Å; C282-V284 PolarHBondContact O-N 3.37Å; C282-G286 WeakPolarHBondContact O-CA 3.48Å; C282-G286 PolarHBondContact O-N 2.85Å; C282-K287 VanDerWaalsContact CB-O 3.25Å; C282-K287 WeakPolarHBondContact CB-O 3.15Å; C282-K287 PolarHBondContact N-O 3.3Å; C282-F289 HydrophobicContact CB-CE2 4.46Å; C282-L295 HydrophobicContact CB-CD1 3.58Å; C282-H302 PolarHBondContact SG-NE2 3.03Å | ||
| 283 | Q | 93.1 | Very high | 93.4 | Very high | 171 Ų | 171 | 76.7 Ų | 76.7 | 80% | 0.799 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -27 | -179.9 | -51.4 | -59.9 | 17.9 | 0 | 0 | 113.1 | ||
| 284 | V | 92.8 | Very high | 93.4 | Very high | 108 Ų | 108 | 74.2 Ų | 74.2 | 66% | 0.655 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -33.3 | -177.6 | -176.2 | 0 | 0 | 0 | 0 | 113 | C282 H302 | C282-V284 VanDerWaalsContact C-N 3.34Å; C282-V284 PolarHBondContact O-N 3.37Å; V284-H302 HydrophobicContact CG1-CB 4.22Å |
| 285 | C | 93.8 | Very high | 93.5 | Very high | 54 Ų | 54 | 72.4 Ų | 72.4 | 37% | 0.365 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.7 | 15 | -174.5 | 72.1 | 0 | 0 | 0 | 0 | 114.6 | K287 H298 | C285-K287 PolarHBondContact O-N 2.91Å; C285-H298 PolarHBondContact SG-NE2 2.88Å |
| 286 | G | 91.8 | Very high | 93.5 | Very high | 37 Ų | 37 | 72 Ų | 72 | 38% | 0.381 | 40% | 0.399 | S | S | . | . | trans | 68.5 | -15.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | K281 C282 A288 | K281-G286 VanDerWaalsContact CE-O 3.27Å; K281-G286 WeakPolarHBondContact CE-O 3.35Å; K281-G286 WeakPolarHBondContact CG-O 3.47Å; C282-G286 WeakPolarHBondContact O-CA 3.48Å; C282-G286 PolarHBondContact O-N 2.85Å; G286-A288 PolarHBondContact O-N 3.04Å | ||
| 287 | K | 93.9 | Very high | 93.6 | Very high | 137 Ų | 137 | 71.9 Ų | 71.9 | 60% | 0.596 | 39% | 0.389 | S | S | * | . | trans | -62.5 | 130.6 | -174.5 | -68 | -173.2 | 177.2 | -174.3 | 0 | 112 | C282 C285 F289 | C282-K287 VanDerWaalsContact CB-O 3.25Å; C282-K287 WeakPolarHBondContact CB-O 3.15Å; C282-K287 PolarHBondContact N-O 3.3Å; C285-K287 PolarHBondContact O-N 2.91Å; K287-F289 HydrophobicContact CB-CE2 4.22Å; K287-F289 HydrophobicContact CB-CZ 4.27Å; K287-F289 WeakPolarHBondContact O-CE2 3.37Å | ||
| 288 | A | 94.6 | Very high | 93.6 | Very high | 41 Ų | 41 | 68.3 Ų | 68.3 | 34% | 0.339 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 146.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K278 K281 G286 | K278-A288 HydrophobicContact CB-CB 3.65Å; K281-A288 HydrophobicContact CB-CB 4.49Å; K281-A288 HydrophobicContact CG-CB 4.42Å; G286-A288 PolarHBondContact O-N 3.04Å |
| 289 | F | 93.4 | Very high | 93.6 | Very high | 46 Ų | 46 | 64.6 Ų | 64.6 | 20% | 0.202 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 147.1 | -173.7 | -57.5 | -87.7 | 0 | 0 | 0 | 111.9 | K278 H280 C282 K287 Q291 N294 L295 H298 | K278-F289 CarbonylContact C-O 3.38Å; K278-F289 VanDerWaalsContact C-O 3.23Å; K278-F289 WeakPolarHBondContact CA-O 3.49Å; H280-F289 HydrophobicContact CB-CB 4.41Å; H280-F289 WeakPolarHBondContact CB-O 3.48Å; H280-F289 PolarHBondContact N-O 3.2Å; H280-F289 PolarHBondContact O-N 2.89Å; C282-F289 HydrophobicContact CB-CE2 4.46Å; K287-F289 HydrophobicContact CB-CE2 4.22Å; K287-F289 HydrophobicContact CB-CZ 4.27Å; K287-F289 WeakPolarHBondContact O-CE2 3.37Å; F289-Q291 VanDerWaalsContact C-N 3.29Å; F289-Q291 PolarHBondContact O-N 3.15Å; F289-N294 HydrophobicContact CB-CB 4.24Å; F289-N294 HydrophobicContact CD1-CB 3.96Å; F289-N294 HydrophobicContact CG-CB 4.3Å; F289-L295 HydrophobicContact CB-CB 4.49Å; F289-L295 HydrophobicContact CD2-CB 3.93Å; F289-L295 HydrophobicContact CD2-CD1 3.95Å; F289-L295 HydrophobicContact CE2-CD1 4.09Å; F289-L295 HydrophobicContact CG-CB 4.42Å; F289-H298 HydrophobicContact CE1-CB 4.17Å; F289-H298 HydrophobicContact CE2-CB 3.9Å; F289-H298 AromaticContact CE2-CD2 3.54Å; F289-H298 AromaticContact CE2-CG 3.67Å; F289-H298 HydrophobicContact CZ-CB 3.54Å; F289-H298 AromaticContact CZ-CD2 3.69Å; F289-H298 AromaticContact CZ-CG 3.35Å; F289-H298 AromaticContact CZ-ND1 3.76Å |
| 290 | S | 93.1 | Very high | 93.7 | Very high | 33 Ų | 33 | 63.3 Ų | 63.3 | 23% | 0.231 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -77.9 | -9.2 | 174.5 | 53.7 | 0 | 0 | 0 | 0 | 113.9 | Y272 | Y272-S290 WeakPolarHBondContact CD2-O 3.28Š|
| 291 | Q | 93.6 | Very high | 93.5 | Very high | 73 Ų | 73 | 67 Ų | 67 | 34% | 0.341 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -139.8 | 138.8 | 177.4 | -56.6 | -173.8 | 13.4 | 0 | 0 | 111.7 | F289 S293 N294 L295 | F289-Q291 VanDerWaalsContact C-N 3.29Å; F289-Q291 PolarHBondContact O-N 3.15Å; Q291-S293 VanDerWaalsContact C-N 3.32Å; Q291-S293 WeakPolarHBondContact CB-OG 3.21Å; Q291-S293 PolarHBondContact O-N 3.45Å; Q291-S293 PolarHBondContact OE1-OG 3.37Å; Q291-N294 WeakPolarHBondContact O-CB 3.18Å; Q291-N294 PolarHBondContact O-N 2.75Å; Q291-N294 VanDerWaalsContact O-N 3.14Å; Q291-L295 PolarHBondContact O-N 3.09Å |
| 292 | S | 93.8 | Very high | 93.3 | Very high | 62 Ų | 62 | 64.8 Ų | 64.8 | 43% | 0.434 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.2 | -34.8 | 178.5 | 55.6 | 0 | 0 | 0 | 0 | 112.8 | H280 N294 L295 I296 | H280-S292 PolarHBondContact CD2-N 3.48Å; H280-S292 PolarHBondContact NE2-N 2.95Å; S292-N294 VanDerWaalsContact C-N 3.25Å; S292-N294 PolarHBondContact O-N 3.49Å; S292-L295 PolarHBondContact O-N 2.82Å; S292-L295 VanDerWaalsContact O-N 3.16Å; S292-I296 WeakPolarHBondContact O-CD1 3.44Å; S292-I296 WeakPolarHBondContact O-CG1 3.38Å; S292-I296 PolarHBondContact O-N 3.03Å |
| 293 | S | 91.9 | Very high | 93 | Very high | 50 Ų | 50 | 69.3 Ų | 69.3 | 35% | 0.35 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -52.2 | -41.7 | 170.4 | 47.4 | 0 | 0 | 0 | 0 | 112.7 | Q291 T297 | Q291-S293 VanDerWaalsContact C-N 3.32Å; Q291-S293 WeakPolarHBondContact CB-OG 3.21Å; Q291-S293 PolarHBondContact O-N 3.45Å; Q291-S293 PolarHBondContact OE1-OG 3.37Å; S293-T297 VanDerWaalsContact O-CB 3.31Å; S293-T297 WeakPolarHBondContact O-CB 3.13Å; S293-T297 PolarHBondContact O-N 2.67Å; S293-T297 PolarHBondContact O-OG1 2.87Å |
| 294 | N | 93.8 | Very high | 92.8 | Very high | 72 Ų | 72 | 63.1 Ų | 63.1 | 39% | 0.385 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -73.5 | -38.4 | 179 | -67.6 | -16 | 0 | 0 | 0 | 111.3 | F289 Q291 S292 T297 H298 | F289-N294 HydrophobicContact CB-CB 4.24Å; F289-N294 HydrophobicContact CD1-CB 3.96Å; F289-N294 HydrophobicContact CG-CB 4.3Å; Q291-N294 WeakPolarHBondContact O-CB 3.18Å; Q291-N294 PolarHBondContact O-N 2.75Å; Q291-N294 VanDerWaalsContact O-N 3.14Å; S292-N294 VanDerWaalsContact C-N 3.25Å; S292-N294 PolarHBondContact O-N 3.49Å; N294-T297 PolarHBondContact O-N 2.79Å; N294-H298 VanDerWaalsContact O-CB 3.24Å; N294-H298 WeakPolarHBondContact O-CB 3.2Å; N294-H298 PolarHBondContact O-N 3.3Å |
| 295 | L | 95.2 | Very high | 92.7 | Very high | 38 Ų | 38 | 63.6 Ų | 63.6 | 20% | 0.199 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62 | -46.7 | 172 | 174.1 | 59.7 | 0 | 0 | 0 | 112.2 | H280 C282 F289 Q291 S292 T297 H298 S299 | H280-L295 HydrophobicContact CB-CB 4.09Å; H280-L295 HydrophobicContact CB-CD2 3.85Å; C282-L295 HydrophobicContact CB-CD1 3.58Å; F289-L295 HydrophobicContact CB-CB 4.49Å; F289-L295 HydrophobicContact CD2-CB 3.93Å; F289-L295 HydrophobicContact CD2-CD1 3.95Å; F289-L295 HydrophobicContact CE2-CD1 4.09Å; F289-L295 HydrophobicContact CG-CB 4.42Å; Q291-L295 PolarHBondContact O-N 3.09Å; S292-L295 PolarHBondContact O-N 2.82Å; S292-L295 VanDerWaalsContact O-N 3.16Å; L295-T297 VanDerWaalsContact C-N 3.28Å; L295-T297 PolarHBondContact O-N 2.93Å; L295-H298 WeakPolarHBondContact O-CB 3.42Å; L295-H298 PolarHBondContact O-N 3.13Å; L295-H298 VanDerWaalsContact O-N 3.16Å; L295-S299 PolarHBondContact O-N 3.15Å |
| 296 | I | 93.1 | Very high | 92.7 | Very high | 49 Ų | 49 | 67 Ų | 67 | 25% | 0.251 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.2 | -37.8 | 176.9 | -63.4 | 156.2 | 0 | 0 | 0 | 111 | Y108 S292 S299 | Y108-I296 WeakPolarHBondContact OH-CD1 3.41Å; S292-I296 WeakPolarHBondContact O-CD1 3.44Å; S292-I296 WeakPolarHBondContact O-CG1 3.38Å; S292-I296 PolarHBondContact O-N 3.03Å; I296-S299 PolarHBondContact O-OG 3.23Å; I296-S299 VanDerWaalsContact O-OG 3.07Å |
| 297 | T | 93.3 | Very high | 92.7 | Very high | 39 Ų | 39 | 67.7 Ų | 67.7 | 24% | 0.239 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -71.9 | -33.1 | 176.9 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | S293 N294 L295 R319 | S293-T297 VanDerWaalsContact O-CB 3.31Å; S293-T297 WeakPolarHBondContact O-CB 3.13Å; S293-T297 PolarHBondContact O-N 2.67Å; S293-T297 PolarHBondContact O-OG1 2.87Å; N294-T297 PolarHBondContact O-N 2.79Å; L295-T297 VanDerWaalsContact C-N 3.28Å; L295-T297 PolarHBondContact O-N 2.93Å; T297-R319 HydrophobicContact CG2-CG 3.51Å |
| 298 | H | 94 | Very high | 92.7 | Very high | 27 Ų | 27 | 64.1 Ų | 64.1 | 13% | 0.125 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -72.7 | -40 | 175.1 | 167.1 | 74 | 0 | 0 | 0 | 112.7 | C285 F289 N294 L295 R300 K301 H302 | C285-H298 PolarHBondContact SG-NE2 2.88Å; F289-H298 HydrophobicContact CE1-CB 4.17Å; F289-H298 HydrophobicContact CE2-CB 3.9Å; F289-H298 AromaticContact CE2-CD2 3.54Å; F289-H298 AromaticContact CE2-CG 3.67Å; F289-H298 HydrophobicContact CZ-CB 3.54Å; F289-H298 AromaticContact CZ-CD2 3.69Å; F289-H298 AromaticContact CZ-CG 3.35Å; F289-H298 AromaticContact CZ-ND1 3.76Å; N294-H298 VanDerWaalsContact O-CB 3.24Å; N294-H298 WeakPolarHBondContact O-CB 3.2Å; N294-H298 PolarHBondContact O-N 3.3Å; L295-H298 WeakPolarHBondContact O-CB 3.42Å; L295-H298 PolarHBondContact O-N 3.13Å; L295-H298 VanDerWaalsContact O-N 3.16Å; H298-R300 PolarHBondContact O-N 2.97Å; H298-K301 VanDerWaalsContact O-CB 3.24Å; H298-K301 WeakPolarHBondContact O-CB 3.19Å; H298-K301 WeakPolarHBondContact O-CG 3.47Å; H298-K301 PolarHBondContact O-N 3.43Å; H298-H302 AromaticContact CD2-NE2 3.8Å; H298-H302 AromaticContact CE1-CE1 3.92Å; H298-H302 AromaticContact CE1-NE2 3.54Å; H298-H302 AromaticContact NE2-CE1 3.79Å; H298-H302 AromaticContact NE2-NE2 3.01Å; H298-H302 PolarHBondContact NE2-NE2 2.95Å |
| 299 | S | 93.1 | Very high | 92.5 | Very high | 48 Ų | 48 | 64.1 Ų | 64.1 | 34% | 0.336 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.2 | -27 | -178.4 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | L295 I296 K301 H302 T303 | L295-S299 PolarHBondContact O-N 3.15Å; I296-S299 PolarHBondContact O-OG 3.23Å; I296-S299 VanDerWaalsContact O-OG 3.07Å; S299-K301 PolarHBondContact O-N 3.36Å; S299-K301 VanDerWaalsContact O-N 3.09Å; S299-H302 PolarHBondContact O-N 2.16Å; S299-T303 PolarHBondContact O-N 2.84Å |
| 300 | R | 93.6 | Very high | 92.5 | Very high | 52 Ų | 52 | 62.1 Ų | 62.1 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -16.3 | 168.9 | -65.4 | 177.3 | -169.6 | 158.8 | 5.6 | 114.5 | H298 G304 F305 Q318 | H298-R300 PolarHBondContact O-N 2.97Å; R300-G304 CarbonylContact O-C 3.23Å; R300-G304 WeakPolarHBondContact O-CA 3.19Å; R300-G304 PolarHBondContact O-N 3.37Å; R300-F305 HydrophobicContact CG-CD1 4.26Å; R300-F305 PolarHBondContact O-N 2.91Å; R300-Q318 HydrophobicContact CB-CB 4.44Å; R300-Q318 HydrophobicContact CB-CG 4.13Å; R300-Q318 PolarHBondContact NH1-O 3.35Å; R300-Q318 PolarHBondContact O-NE2 3.37Å |
| 301 | K | 91 | Very high | 92.4 | Very high | 138 Ų | 138 | 69.5 Ų | 69.5 | 60% | 0.6 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -33.5 | 171.8 | -63.8 | -167.7 | 171.6 | -161.9 | 0 | 112.6 | H298 S299 | H298-K301 VanDerWaalsContact O-CB 3.24Å; H298-K301 WeakPolarHBondContact O-CB 3.19Å; H298-K301 WeakPolarHBondContact O-CG 3.47Å; H298-K301 PolarHBondContact O-N 3.43Å; S299-K301 PolarHBondContact O-N 3.36Å; S299-K301 VanDerWaalsContact O-N 3.09Å |
| 302 | H | 90.7 | Very high | 92.3 | Very high | 80 Ų | 80 | 70.8 Ų | 70.8 | 37% | 0.37 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -38.9 | 178.7 | -52.9 | -51 | 0 | 0 | 0 | 111.5 | C282 V284 H298 S299 | C282-H302 PolarHBondContact SG-NE2 3.03Å; V284-H302 HydrophobicContact CG1-CB 4.22Å; H298-H302 AromaticContact CD2-NE2 3.8Å; H298-H302 AromaticContact CE1-CE1 3.92Å; H298-H302 AromaticContact CE1-NE2 3.54Å; H298-H302 AromaticContact NE2-CE1 3.79Å; H298-H302 AromaticContact NE2-NE2 3.01Å; H298-H302 PolarHBondContact NE2-NE2 2.95Å; S299-H302 PolarHBondContact O-N 2.16Å |
| 303 | T | 89.6 | Confident | 92.3 | Very high | 101 Ų | 101 | 70.6 Ų | 70.6 | 62% | 0.62 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -86.6 | -2.1 | 178.6 | 63 | 0 | 0 | 0 | 0 | 114.3 | S299 F305 | S299-T303 PolarHBondContact O-N 2.84Å; T303-F305 PolarHBondContact O-N 3.45Å; T303-F305 WeakPolarHBondContact OG1-CB 3.46Å |
| 304 | G | 89.1 | Confident | 92.2 | Very high | 40 Ų | 40 | 72.5 Ų | 72.5 | 41% | 0.412 | 40% | 0.4 | S | S | . | . | trans | 64.1 | -2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | R300 K306 | R300-G304 CarbonylContact O-C 3.23Å; R300-G304 WeakPolarHBondContact O-CA 3.19Å; R300-G304 PolarHBondContact O-N 3.37Å; G304-K306 WeakPolarHBondContact O-CG 3.29Å; G304-K306 PolarHBondContact O-N 3.2Å | ||
| 305 | F | 91.5 | Very high | 92.1 | Very high | 119 Ų | 119 | 74.7 Ų | 74.7 | 52% | 0.522 | 41% | 0.406 | S | S | . | . | trans | -63.6 | 123.2 | -166.1 | -177.2 | -115.4 | 0 | 0 | 0 | 113.6 | R300 T303 P307 | R300-F305 HydrophobicContact CG-CD1 4.26Å; R300-F305 PolarHBondContact O-N 2.91Å; T303-F305 PolarHBondContact O-N 3.45Å; T303-F305 WeakPolarHBondContact OG1-CB 3.46Å; F305-P307 HydrophobicContact CD1-CB 4.39Å; F305-P307 HydrophobicContact CD1-CG 4.09Å; F305-P307 HydrophobicContact CE1-CB 3.63Å; F305-P307 HydrophobicContact CE1-CG 3.74Å; F305-P307 HydrophobicContact CZ-CB 3.83Å; F305-P307 HydrophobicContact CZ-CG 4.41Å; F305-P307 WeakPolarHBondContact O-CD 3.29Å | ||
| 306 | K | 92.4 | Very high | 91.9 | Very high | 124 Ų | 124 | 74 Ų | 74 | 54% | 0.539 | 41% | 0.408 | S | S | . | . | trans | -122.5 | 78.9 | -172.9 | -76.9 | 157 | 171.8 | -180 | 0 | 111.1 | G304 F308 G316 F317 Q318 | G304-K306 WeakPolarHBondContact O-CG 3.29Å; G304-K306 PolarHBondContact O-N 3.2Å; K306-F308 PolarHBondContact O-N 2.78Å; K306-F308 VanDerWaalsContact O-N 3.09Å; K306-G316 VanDerWaalsContact CD-O 3.29Å; K306-G316 WeakPolarHBondContact CD-O 3.36Å; K306-G316 WeakPolarHBondContact CE-O 3.2Å; K306-F317 CarbonylContact C-O 3.43Å; K306-F317 VanDerWaalsContact CA-O 3.29Å; K306-F317 WeakPolarHBondContact CA-O 3.3Å; K306-Q318 HydrophobicContact CG-CG 4.25Å | ||
| 307 | P | 91.4 | Very high | 91.9 | Very high | 53 Ų | 53 | 73.1 Ų | 73.1 | 34% | 0.344 | 40% | 0.402 | S | S | . | . | trans | -73.3 | 4.5 | -175 | 28.6 | -34.1 | 0 | 0 | 0 | 115.1 | F305 | F305-P307 HydrophobicContact CD1-CB 4.39Å; F305-P307 HydrophobicContact CD1-CG 4.09Å; F305-P307 HydrophobicContact CE1-CB 3.63Å; F305-P307 HydrophobicContact CE1-CG 3.74Å; F305-P307 HydrophobicContact CZ-CB 3.83Å; F305-P307 HydrophobicContact CZ-CG 4.41Å; F305-P307 WeakPolarHBondContact O-CD 3.29Å | ||
| 308 | F | 93.6 | Very high | 91.8 | Very high | 61 Ų | 61 | 73.4 Ų | 73.4 | 27% | 0.268 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 94.9 | -177.8 | -57.5 | -68 | 0 | 0 | 0 | 109.5 | K306 F317 K320 L323 | K306-F308 PolarHBondContact O-N 2.78Å; K306-F308 VanDerWaalsContact O-N 3.09Å; F308-F317 HydrophobicContact CB-CB 4.33Å; F308-F317 PolarHBondContact N-O 3.04Å; F308-F317 PolarHBondContact O-N 2.86Å; F308-K320 HydrophobicContact CD1-CB 4.11Å; F308-K320 VanDerWaalsContact CD2-N 3.34Å; F308-K320 HydrophobicContact CE1-CB 3.97Å; F308-K320 HydrophobicContact CE2-CB 4.42Å; F308-K320 HydrophobicContact CG-CB 4.4Å; F308-K320 HydrophobicContact CZ-CB 4.13Å; F308-L323 HydrophobicContact CB-CB 4.21Å; F308-L323 HydrophobicContact CB-CD2 3.89Å |
| 309 | G | 92.1 | Very high | 91.7 | Very high | 42 Ų | 42 | 77.2 Ų | 77.2 | 43% | 0.433 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 148.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K315 L323 | G309-K315 CarbonylContact C-O 3.52Å; G309-L323 WeakPolarHBondContact O-CD1 3.39Å; G309-L323 WeakPolarHBondContact O-CD2 3.44Å |
| 310 | C | 93.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 82 Ų | 82 | 2% | 0.02 | 43% | 0.429 | C | S | . | . | trans | -81.6 | 124.1 | 159.7 | 174.9 | 0 | 0 | 0 | 0 | 109.2 | I312 A314 K315 F317 L323 H326 H327 H331 | C310-I312 VanDerWaalsContact C-N 3.28Å; C310-I312 PolarHBondContact O-N 3.43Å; C310-I312 PolarHBondContact SG-N 2.9Å; C310-A314 WeakPolarHBondContact O-CA 3.36Å; C310-A314 PolarHBondContact O-N 3.14Å; C310-K315 HydrophobicContact CB-CB 4.42Å; C310-K315 PolarHBondContact N-O 3.17Å; C310-F317 HydrophobicContact CB-CE2 4.45Å; C310-L323 HydrophobicContact CB-CD1 3.8Å; C310-H326 WeakPolarHBondContact CB-NE2 3.39Å; C310-H326 PolarHBondContact SG-NE2 2.84Å; C310-H327 PolarHBondContact SG-NE2 3.25Å; C310-H327 VanDerWaalsContact SG-NE2 3.37Å; C310-H331 PolarHBondContact SG-NE2 3.3Å; C310-H331 VanDerWaalsContact SG-NE2 3.35Å | ||
| 311 | E | 90.8 | Very high | 91.6 | Very high | 189 Ų | 189 | 83.1 Ų | 83.1 | 88% | 0.883 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -26.9 | -179.8 | -70.3 | 158.3 | -156 | 0 | 0 | 112.3 | ||
| 312 | I | 90.6 | Very high | 91.7 | Very high | 99 Ų | 99 | 77.7 Ų | 77.7 | 51% | 0.508 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -35.5 | -175.7 | -59.2 | 168.7 | 0 | 0 | 0 | 112.3 | C310 H331 L333 | C310-I312 VanDerWaalsContact C-N 3.28Å; C310-I312 PolarHBondContact O-N 3.43Å; C310-I312 PolarHBondContact SG-N 2.9Å; I312-H331 HydrophobicContact CD1-CB 3.74Å; I312-L333 HydrophobicContact CD1-CD1 3.94Å |
| 313 | C | 93.2 | Very high | 91.9 | Very high | 59 Ų | 59 | 75 Ų | 75 | 40% | 0.399 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | 16.4 | -177.3 | 71.1 | 0 | 0 | 0 | 0 | 115.2 | K315 H326 | C313-K315 PolarHBondContact O-N 3.11Å; C313-H326 VanDerWaalsContact SG-CE1 3.51Å; C313-H326 PolarHBondContact SG-NE2 3.42Å |
| 314 | A | 89.8 | Confident | 92.1 | Very high | 90 Ų | 90 | 77.1 Ų | 77.1 | 74% | 0.744 | 40% | 0.404 | S | S | * | . | trans | 56.2 | 6.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | C310 G316 | C310-A314 WeakPolarHBondContact O-CA 3.36Å; C310-A314 PolarHBondContact O-N 3.14Å; A314-G316 PolarHBondContact O-N 3.27Å | ||
| 315 | K | 91.8 | Very high | 92.3 | Very high | 117 Ų | 117 | 81.7 Ų | 81.7 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | trans | -71.8 | 123 | -173.5 | -166.1 | 167.4 | -175.3 | 169.5 | 0 | 111.3 | G309 C310 C313 F317 | G309-K315 CarbonylContact C-O 3.52Å; C310-K315 HydrophobicContact CB-CB 4.42Å; C310-K315 PolarHBondContact N-O 3.17Å; C313-K315 PolarHBondContact O-N 3.11Å; K315-F317 HydrophobicContact CB-CE2 3.9Å; K315-F317 HydrophobicContact CB-CZ 4.27Å; K315-F317 HydrophobicContact CD-CE2 4.41Å; K315-F317 HydrophobicContact CD-CZ 3.92Å; K315-F317 HydrophobicContact CG-CE2 3.85Å; K315-F317 HydrophobicContact CG-CZ 3.8Å; K315-F317 WeakPolarHBondContact O-CD2 3.27Å; K315-F317 WeakPolarHBondContact O-CE2 3.32Å | ||
| 316 | G | 92.3 | Very high | 92.4 | Very high | 24 Ų | 24 | 76.8 Ų | 76.8 | 25% | 0.247 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 136.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | K306 A314 | K306-G316 VanDerWaalsContact CD-O 3.29Å; K306-G316 WeakPolarHBondContact CD-O 3.36Å; K306-G316 WeakPolarHBondContact CE-O 3.2Å; A314-G316 PolarHBondContact O-N 3.27Å |
| 317 | F | 92.3 | Very high | 92.3 | Very high | 30 Ų | 30 | 72.7 Ų | 72.7 | 13% | 0.132 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 152.1 | -176.8 | -61.9 | -92 | 0 | 0 | 0 | 113.2 | K306 F308 C310 K315 D322 L323 H326 | K306-F317 CarbonylContact C-O 3.43Å; K306-F317 VanDerWaalsContact CA-O 3.29Å; K306-F317 WeakPolarHBondContact CA-O 3.3Å; F308-F317 HydrophobicContact CB-CB 4.33Å; F308-F317 PolarHBondContact N-O 3.04Å; F308-F317 PolarHBondContact O-N 2.86Å; C310-F317 HydrophobicContact CB-CE2 4.45Å; K315-F317 HydrophobicContact CB-CE2 3.9Å; K315-F317 HydrophobicContact CB-CZ 4.27Å; K315-F317 HydrophobicContact CD-CE2 4.41Å; K315-F317 HydrophobicContact CD-CZ 3.92Å; K315-F317 HydrophobicContact CG-CE2 3.85Å; K315-F317 HydrophobicContact CG-CZ 3.8Å; K315-F317 WeakPolarHBondContact O-CD2 3.27Å; K315-F317 WeakPolarHBondContact O-CE2 3.32Å; F317-D322 HydrophobicContact CB-CB 4.37Å; F317-D322 HydrophobicContact CD1-CB 3.75Å; F317-D322 HydrophobicContact CG-CB 4.4Å; F317-L323 HydrophobicContact CB-CB 4.24Å; F317-L323 HydrophobicContact CD2-CB 4.06Å; F317-L323 HydrophobicContact CD2-CD1 3.7Å; F317-L323 HydrophobicContact CE2-CD1 3.97Å; F317-L323 HydrophobicContact CG-CB 4.21Å; F317-H326 HydrophobicContact CE1-CB 3.97Å; F317-H326 HydrophobicContact CE2-CB 4.17Å; F317-H326 AromaticContact CE2-CD2 3.18Å; F317-H326 WeakPolarHBondContact CE2-CD2 3.47Å; F317-H326 AromaticContact CE2-CG 3.81Å; F317-H326 AromaticContact CE2-NE2 3.86Å; F317-H326 HydrophobicContact CZ-CB 3.54Å; F317-H326 AromaticContact CZ-CD2 3.21Å; F317-H326 WeakPolarHBondContact CZ-CD2 3.39Å; F317-H326 AromaticContact CZ-CG 3.34Å; F317-H326 AromaticContact CZ-NE2 3.92Å |
| 318 | Q | 90.9 | Very high | 92.3 | Very high | 45 Ų | 45 | 73.8 Ų | 73.8 | 21% | 0.21 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -83.7 | -19.9 | 179.8 | -70.1 | 170.4 | -15.8 | 0 | 0 | 113.7 | R300 K306 | R300-Q318 HydrophobicContact CB-CB 4.44Å; R300-Q318 HydrophobicContact CB-CG 4.13Å; R300-Q318 PolarHBondContact NH1-O 3.35Å; R300-Q318 PolarHBondContact O-NE2 3.37Å; K306-Q318 HydrophobicContact CG-CG 4.25Å |
| 319 | R | 92.6 | Very high | 92.3 | Very high | 108 Ų | 108 | 74.6 Ų | 74.6 | 41% | 0.408 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -137.3 | 142.4 | 179.7 | -48.9 | -177.2 | -64.5 | 174.2 | 0.6 | 111 | T297 V321 D322 L323 | T297-R319 HydrophobicContact CG2-CG 3.51Å; R319-V321 HydrophobicContact CB-CG2 3.9Å; R319-V321 PolarHBondContact O-N 2.9Å; R319-D322 WeakPolarHBondContact CB-OD2 3.41Å; R319-D322 IonicContact CZ-OD1 3.65Å; R319-D322 IonicContact CZ-OD2 3.41Å; R319-D322 IonicContact NE-OD1 3.72Å; R319-D322 IonicContact NE-OD2 2.71Å; R319-D322 PolarHBondContact NE-OD2 3.48Å; R319-D322 IonicContact NH2-OD1 2.76Å; R319-D322 PolarHBondContact NH2-OD1 3.22Å; R319-D322 IonicContact NH2-OD2 3.25Å; R319-D322 PolarHBondContact NH2-OD2 3.09Å; R319-D322 PolarHBondContact O-N 2.87Å; R319-L323 PolarHBondContact O-N 3.47Å |
| 320 | K | 92.7 | Very high | 92.1 | Very high | 149 Ų | 149 | 78.6 Ų | 78.6 | 65% | 0.648 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -58.2 | -29.2 | 174.2 | -172.1 | 168.9 | -178 | 172.1 | 0 | 113.2 | F308 L323 R324 | F308-K320 HydrophobicContact CD1-CB 4.11Å; F308-K320 VanDerWaalsContact CD2-N 3.34Å; F308-K320 HydrophobicContact CE1-CB 3.97Å; F308-K320 HydrophobicContact CE2-CB 4.42Å; F308-K320 HydrophobicContact CG-CB 4.4Å; F308-K320 HydrophobicContact CZ-CB 4.13Å; K320-L323 PolarHBondContact O-N 2.7Å; K320-R324 WeakPolarHBondContact O-CB 3.4Å; K320-R324 PolarHBondContact O-N 3.21Å |
| 321 | V | 92.3 | Very high | 91.8 | Very high | 75 Ų | 75 | 81.1 Ų | 81.1 | 46% | 0.455 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70.1 | -30.2 | 175.9 | -60.8 | 0 | 0 | 0 | 0 | 113.5 | R319 R325 | R319-V321 HydrophobicContact CB-CG2 3.9Å; R319-V321 PolarHBondContact O-N 2.9Å; V321-R325 WeakPolarHBondContact O-CB 3.38Å; V321-R325 PolarHBondContact O-N 3.37Å; V321-R325 VanDerWaalsContact O-N 3.11Å |
| 322 | D | 93.6 | Very high | 91.2 | Very high | 24 Ų | 24 | 75 Ų | 75 | 13% | 0.128 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -77 | -37.4 | 175.3 | -59.2 | -53.5 | 0 | 0 | 0 | 110.9 | F317 R319 R325 H326 | F317-D322 HydrophobicContact CB-CB 4.37Å; F317-D322 HydrophobicContact CD1-CB 3.75Å; F317-D322 HydrophobicContact CG-CB 4.4Å; R319-D322 WeakPolarHBondContact CB-OD2 3.41Å; R319-D322 IonicContact CZ-OD1 3.65Å; R319-D322 IonicContact CZ-OD2 3.41Å; R319-D322 IonicContact NE-OD1 3.72Å; R319-D322 IonicContact NE-OD2 2.71Å; R319-D322 PolarHBondContact NE-OD2 3.48Å; R319-D322 IonicContact NH2-OD1 2.76Å; R319-D322 PolarHBondContact NH2-OD1 3.22Å; R319-D322 IonicContact NH2-OD2 3.25Å; R319-D322 PolarHBondContact NH2-OD2 3.09Å; R319-D322 PolarHBondContact O-N 2.87Å; D322-R325 IonicContact OD1-CZ 3.61Å; D322-R325 IonicContact OD1-NH1 3.64Å; D322-R325 IonicContact OD1-NH2 2.77Å; D322-R325 PolarHBondContact OD1-NH2 2.97Å; D322-H326 WeakPolarHBondContact O-CB 3.44Å; D322-H326 PolarHBondContact O-N 2.86Å |
| 323 | L | 94.1 | Very high | 89.9 | Confident | 22 Ų | 22 | 75 Ų | 75 | 12% | 0.115 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.9 | -48.7 | 170.3 | 175.8 | 65.1 | 0 | 0 | 0 | 111.3 | F308 G309 C310 F317 R319 K320 H326 H327 | F308-L323 HydrophobicContact CB-CB 4.21Å; F308-L323 HydrophobicContact CB-CD2 3.89Å; G309-L323 WeakPolarHBondContact O-CD1 3.39Å; G309-L323 WeakPolarHBondContact O-CD2 3.44Å; C310-L323 HydrophobicContact CB-CD1 3.8Å; F317-L323 HydrophobicContact CB-CB 4.24Å; F317-L323 HydrophobicContact CD2-CB 4.06Å; F317-L323 HydrophobicContact CD2-CD1 3.7Å; F317-L323 HydrophobicContact CE2-CD1 3.97Å; F317-L323 HydrophobicContact CG-CB 4.21Å; R319-L323 PolarHBondContact O-N 3.47Å; K320-L323 PolarHBondContact O-N 2.7Å; L323-H326 WeakPolarHBondContact O-CB 3.26Å; L323-H326 PolarHBondContact O-N 2.79Å; L323-H326 VanDerWaalsContact O-N 3.15Å; L323-H327 VanDerWaalsContact CD1-NE2 3.35Å; L323-H327 WeakPolarHBondContact CD1-NE2 3.35Å; L323-H327 PolarHBondContact O-CD2 2.95Å; L323-H327 PolarHBondContact O-N 3.31Å |
| 324 | R | 93.4 | Very high | 88.2 | Confident | 147 Ų | 147 | 84.5 Ų | 84.5 | 56% | 0.555 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61.4 | -49.4 | -180 | -164.7 | -168.9 | 65.8 | -166.9 | -6.5 | 111.4 | K320 H326 H327 E328 | K320-R324 WeakPolarHBondContact O-CB 3.4Å; K320-R324 PolarHBondContact O-N 3.21Å; R324-H326 PolarHBondContact O-N 3.09Å; R324-H327 PolarHBondContact O-N 2.9Å; R324-E328 VanDerWaalsContact CD-OE1 3.23Å; R324-E328 WeakPolarHBondContact CD-OE1 3.11Å; R324-E328 HydrophobicContact CG-CG 4.39Å; R324-E328 VanDerWaalsContact CG-OE1 3.27Å; R324-E328 WeakPolarHBondContact CG-OE1 3.44Å; R324-E328 IonicContact CZ-OE1 3.91Å; R324-E328 IonicContact NE-OE1 2.76Å; R324-E328 PolarHBondContact NE-OE1 3.47Å; R324-E328 IonicContact NH2-OE1 2.74Å; R324-E328 WeakPolarHBondContact O-CB 3.26Å; R324-E328 VanDerWaalsContact O-CG 3.28Å; R324-E328 WeakPolarHBondContact O-CG 3.28Å; R324-E328 PolarHBondContact O-N 3.43Å |
| 325 | R | 93.8 | Very high | 88.1 | Confident | 136 Ų | 136 | 84.3 Ų | 84.3 | 51% | 0.513 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -56.9 | -34.6 | 175 | -174.2 | -177.6 | 59.5 | -124.7 | -20.3 | 112.5 | V321 D322 E328 S329 | V321-R325 WeakPolarHBondContact O-CB 3.38Å; V321-R325 PolarHBondContact O-N 3.37Å; V321-R325 VanDerWaalsContact O-N 3.11Å; D322-R325 IonicContact OD1-CZ 3.61Å; D322-R325 IonicContact OD1-NH1 3.64Å; D322-R325 IonicContact OD1-NH2 2.77Å; D322-R325 PolarHBondContact OD1-NH2 2.97Å; R325-E328 VanDerWaalsContact CA-OE2 3.32Å; R325-E328 WeakPolarHBondContact CA-OE2 3Å; R325-S329 VanDerWaalsContact O-CB 3.28Å; R325-S329 WeakPolarHBondContact O-CB 3.37Å; R325-S329 PolarHBondContact O-N 3.06Å; R325-S329 PolarHBondContact O-OG 2.94Å; R325-S329 VanDerWaalsContact O-OG 3.05Å |
| 326 | H | 92.9 | Very high | 87.9 | Confident | 15 Ų | 15 | 82.5 Ų | 82.5 | 7% | 0.069 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -71.6 | -39.4 | 175.1 | 162.1 | 54.9 | 0 | 0 | 0 | 113.2 | C310 C313 F317 D322 L323 R324 S329 Q330 H331 | C310-H326 WeakPolarHBondContact CB-NE2 3.39Å; C310-H326 PolarHBondContact SG-NE2 2.84Å; C313-H326 VanDerWaalsContact SG-CE1 3.51Å; C313-H326 PolarHBondContact SG-NE2 3.42Å; F317-H326 HydrophobicContact CE1-CB 3.97Å; F317-H326 HydrophobicContact CE2-CB 4.17Å; F317-H326 AromaticContact CE2-CD2 3.18Å; F317-H326 WeakPolarHBondContact CE2-CD2 3.47Å; F317-H326 AromaticContact CE2-CG 3.81Å; F317-H326 AromaticContact CE2-NE2 3.86Å; F317-H326 HydrophobicContact CZ-CB 3.54Å; F317-H326 AromaticContact CZ-CD2 3.21Å; F317-H326 WeakPolarHBondContact CZ-CD2 3.39Å; F317-H326 AromaticContact CZ-CG 3.34Å; F317-H326 AromaticContact CZ-NE2 3.92Å; D322-H326 WeakPolarHBondContact O-CB 3.44Å; D322-H326 PolarHBondContact O-N 2.86Å; L323-H326 WeakPolarHBondContact O-CB 3.26Å; L323-H326 PolarHBondContact O-N 2.79Å; L323-H326 VanDerWaalsContact O-N 3.15Å; R324-H326 PolarHBondContact O-N 3.09Å; H326-S329 PolarHBondContact O-N 3.21Å; H326-Q330 WeakPolarHBondContact ND1-CG 3.45Å; H326-Q330 VanDerWaalsContact O-CB 3.28Å; H326-Q330 WeakPolarHBondContact O-CB 3.14Å; H326-Q330 PolarHBondContact O-N 3.44Å; H326-H331 AromaticContact CE1-NE2 3.66Å; H326-H331 AromaticContact NE2-NE2 3.74Å |
| 327 | H | 91.1 | Very high | 87.6 | Confident | 38 Ų | 38 | 85.8 Ų | 85.8 | 18% | 0.176 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.6 | -48.8 | 171.1 | -77.3 | -148.6 | 0 | 0 | 0 | 110.8 | C310 L323 R324 S329 H331 G332 | C310-H327 PolarHBondContact SG-NE2 3.25Å; C310-H327 VanDerWaalsContact SG-NE2 3.37Å; L323-H327 VanDerWaalsContact CD1-NE2 3.35Å; L323-H327 WeakPolarHBondContact CD1-NE2 3.35Å; L323-H327 PolarHBondContact O-CD2 2.95Å; L323-H327 PolarHBondContact O-N 3.31Å; R324-H327 PolarHBondContact O-N 2.9Å; H327-S329 VanDerWaalsContact C-N 3.33Å; H327-S329 PolarHBondContact O-N 3.48Å; H327-H331 CarbonylContact O-C 3.54Å; H327-H331 WeakPolarHBondContact O-CA 3.45Å; H327-H331 WeakPolarHBondContact O-CB 3.47Å; H327-H331 PolarHBondContact O-N 3.01Å; H327-G332 PolarHBondContact O-N 3.15Å |
| 328 | E | 91.5 | Very high | 87.4 | Confident | 77 Ų | 77 | 89.1 Ų | 89.1 | 36% | 0.36 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -53.8 | -46.8 | 175.7 | -69.1 | 161 | -174.9 | 0 | 0 | 111 | R324 R325 | R324-E328 VanDerWaalsContact CD-OE1 3.23Å; R324-E328 WeakPolarHBondContact CD-OE1 3.11Å; R324-E328 HydrophobicContact CG-CG 4.39Å; R324-E328 VanDerWaalsContact CG-OE1 3.27Å; R324-E328 WeakPolarHBondContact CG-OE1 3.44Å; R324-E328 IonicContact CZ-OE1 3.91Å; R324-E328 IonicContact NE-OE1 2.76Å; R324-E328 PolarHBondContact NE-OE1 3.47Å; R324-E328 IonicContact NH2-OE1 2.74Å; R324-E328 WeakPolarHBondContact O-CB 3.26Å; R324-E328 VanDerWaalsContact O-CG 3.28Å; R324-E328 WeakPolarHBondContact O-CG 3.28Å; R324-E328 PolarHBondContact O-N 3.43Å; R325-E328 VanDerWaalsContact CA-OE2 3.32Å; R325-E328 WeakPolarHBondContact CA-OE2 3Å |
| 329 | S | 92.7 | Very high | 87.1 | Confident | 77 Ų | 77 | 91.8 Ų | 91.8 | 54% | 0.538 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -93.4 | -11.9 | -171.8 | 79.1 | 0 | 0 | 0 | 0 | 116.7 | R325 H326 H327 | R325-S329 VanDerWaalsContact O-CB 3.28Å; R325-S329 WeakPolarHBondContact O-CB 3.37Å; R325-S329 PolarHBondContact O-N 3.06Å; R325-S329 PolarHBondContact O-OG 2.94Å; R325-S329 VanDerWaalsContact O-OG 3.05Å; H326-S329 PolarHBondContact O-N 3.21Å; H327-S329 VanDerWaalsContact C-N 3.33Å; H327-S329 PolarHBondContact O-N 3.48Å |
| 330 | Q | 87.9 | Confident | 86.8 | Confident | 127 Ų | 127 | 90.7 Ų | 90.7 | 59% | 0.593 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -125.4 | -16.7 | -178.6 | -55.2 | -74.2 | -107.2 | 0 | 0 | 113.6 | H326 | H326-Q330 WeakPolarHBondContact ND1-CG 3.45Å; H326-Q330 VanDerWaalsContact O-CB 3.28Å; H326-Q330 WeakPolarHBondContact O-CB 3.14Å; H326-Q330 PolarHBondContact O-N 3.44Å |
| 331 | H | 88 | Confident | 86.4 | Confident | 55 Ų | 55 | 86.6 Ų | 86.6 | 26% | 0.255 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | -1.7 | -177.5 | -55.4 | -44.6 | 0 | 0 | 0 | 113 | C310 I312 H326 H327 L333 | C310-H331 PolarHBondContact SG-NE2 3.3Å; C310-H331 VanDerWaalsContact SG-NE2 3.35Å; I312-H331 HydrophobicContact CD1-CB 3.74Å; H326-H331 AromaticContact CE1-NE2 3.66Å; H326-H331 AromaticContact NE2-NE2 3.74Å; H327-H331 CarbonylContact O-C 3.54Å; H327-H331 WeakPolarHBondContact O-CA 3.45Å; H327-H331 WeakPolarHBondContact O-CB 3.47Å; H327-H331 PolarHBondContact O-N 3.01Å; H331-L333 PolarHBondContact O-N 3.21Å |
| 332 | G | 77.2 | Confident | 85.9 | Confident | 60 Ų | 60 | 87.5 Ų | 87.5 | 62% | 0.619 | 43% | 0.429 | S | S | * | . | trans | 70.4 | -2.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116 | H327 | H327-G332 PolarHBondContact O-N 3.15Š| ||
| 333 | L | 63.5 | Low | 85.3 | Confident | 100 Ų | 100 | 92.8 Ų | 92.8 | 52% | 0.524 | 45% | 0.454 | S | S | . | . | trans | -73.8 | 124.3 | -180 | -65.5 | 168.9 | 0 | 0 | 0 | 110.3 | I312 H331 | I312-L333 HydrophobicContact CD1-CD1 3.94Å; H331-L333 PolarHBondContact O-N 3.21Å | ||
| 334 | K | 57.2 | Low | 84.5 | Confident | 259 Ų | 259 | 99.2 Ų | 99.2 | 100% | 1.126 | 48% | 0.484 | S | S | * | . | trans | -101.7 | 0 | 175 | -69.2 | -178.1 | 177.1 | 177.5 | 0 | 110.8 |
Retrieved 334 of 334 residues in 512.3 ms
(Link to these results)