| 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 | 38.9 | Very low | 31.4 | Very low | 250 Ų | 250 | 134.3 Ų | 134.3 | 100% | 1.232 | 85% | 0.845 | S | S | * | * | 0 | 86.7 | 0 | -101.5 | 159.4 | 166.6 | 0 | 0 | 107.2 | |||||
| 2 | E | 37.6 | Very low | 31.2 | Very low | 184 Ų | 184 | 136.5 Ų | 136.5 | 86% | 0.86 | 84% | 0.837 | S | S | * | * | trans | -81.7 | 157.6 | 147.7 | -61.7 | -177.8 | 123.6 | 0 | 0 | 107.3 | ||||
| 3 | P | 40.1 | Very low | 30.8 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | -135 | 149.6 | 81.6 | 20 | 2.8 | 0 | 0 | 0 | 113.3 | |||||
| 4 | N | 28.1 | Very low | 30.6 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | 70.2 | 105 | 69.6 | -132.4 | 26.5 | 0 | 0 | 0 | 112.9 | |||||
| 5 | C | 29.2 | Very low | 30.3 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 73% | 0.73 | 82% | 0.822 | S | S | * | * | 74.5 | 125.9 | 88.6 | -74.6 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 6 | T | 30.8 | Very low | 30 | Very low | 143 Ų | 143 | 137.1 Ų | 137.1 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -165.5 | 118 | 141.4 | 17.3 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 7 | A | 29.9 | Very low | 29.7 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | cis | 90 | 129 | 37.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 8 | G | 26.4 | Very low | 29.6 | Very low | 80 Ų | 80 | 143.2 Ų | 143.2 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | 129.4 | 99.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 9 | G | 25.9 | Very low | 29.5 | Very low | 83 Ų | 83 | 141.1 Ų | 141.1 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | cis | 76.5 | 119.7 | 44.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 10 | A | 29.1 | Very low | 29.9 | Very low | 79 Ų | 79 | 139.6 Ų | 139.6 | 65% | 0.653 | 81% | 0.809 | S | S | * | * | cis | -161.6 | 144.6 | 35.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 11 | E | 29.6 | Very low | 29.8 | Very low | 181 Ų | 181 | 140.3 Ų | 140.3 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | 80.6 | 133.7 | 105.5 | -76.1 | 175.2 | 164.9 | 0 | 0 | 113 | |||||
| 12 | E | 28.7 | Very low | 29.6 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | cis | -157.2 | 138.6 | 31.5 | -108.8 | 162.7 | 175.1 | 0 | 0 | 108.3 | ||||
| 13 | E | 25.7 | Very low | 29.2 | Very low | 162 Ų | 162 | 130.7 Ų | 130.7 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | 58 | 138.7 | 98.2 | -69.6 | -158.9 | 150.4 | 0 | 0 | 115.4 | |||||
| 14 | H | 27.8 | Very low | 28.6 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 69% | 0.69 | 79% | 0.785 | S | S | * | * | cis | -162.8 | 156.2 | 19.2 | -148.2 | -77.4 | 0 | 0 | 0 | 110.8 | ||||
| 15 | H | 26.2 | Very low | 28.6 | Very low | 179 Ų | 179 | 131.1 Ų | 131.1 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | -44.6 | 160.1 | 168.3 | -68.2 | -78.3 | 0 | 0 | 0 | 115.5 | ||||
| 16 | G | 25.6 | Very low | 28.5 | Very low | 65 Ų | 65 | 132.6 Ų | 132.6 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | cis | 164.2 | -167.7 | 9.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 17 | N | 26 | Very low | 28.5 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | 89.8 | 106.5 | 165.8 | -67 | -9.9 | 0 | 0 | 0 | 121 | ||||
| 18 | Y | 27.3 | Very low | 28.7 | Very low | 220 Ų | 220 | 131 Ų | 131 | 86% | 0.863 | 79% | 0.785 | S | S | * | * | 48.9 | 113.7 | 112.9 | -134.1 | -94.8 | 0 | 0 | 0 | 119.3 | |||||
| 19 | S | 28.6 | Very low | 28.8 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | -92.7 | 151.1 | 159.5 | -110.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 20 | P | 35.6 | Very low | 29 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | -145.3 | 161.8 | 78.5 | 32.3 | -11.4 | 0 | 0 | 0 | 117.2 | |||||
| 21 | N | 29.6 | Very low | 29 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -29.5 | 152 | 175 | -96.1 | -4.1 | 0 | 0 | 0 | 118.5 | ||||
| 22 | P | 34.4 | Very low | 29 | Very low | 111 Ų | 111 | 138 Ų | 138 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | -147.6 | 159.8 | 106.6 | 37 | -19.5 | 0 | 0 | 0 | 117.1 | |||||
| 23 | S | 28 | Very low | 29.2 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | 71.4 | 138.7 | 142.2 | -56.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 24 | A | 27.3 | Very low | 29.4 | Very low | 93 Ų | 93 | 134 Ų | 134 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -86.8 | 153.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 25 | E | 28.1 | Very low | 29.5 | Very low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | 162.5 | 116.9 | 125.2 | -88.5 | -173.7 | 157.5 | 0 | 0 | 110.6 | |||||
| 26 | V | 29.1 | Very low | 29.9 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | 81 | 120.7 | 110.5 | -178.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 27 | A | 30.7 | Very low | 30.2 | Very low | 92 Ų | 92 | 135.7 Ų | 135.7 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -92 | 169.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 28 | P | 34.2 | Very low | 30.4 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -105.4 | 162.9 | -156.9 | 39.2 | -32.5 | 0 | 0 | 0 | 115.5 | ||||
| 29 | G | 27.3 | Very low | 30.6 | Very low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | 83.5 | 103 | 128.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 30 | K | 29.8 | Very low | 31 | Very low | 212 Ų | 212 | 135.2 Ų | 135.2 | 92% | 0.922 | 81% | 0.806 | S | S | * | * | trans | -132.6 | 93.5 | 148.2 | -75.4 | -172.1 | 178.9 | -179.4 | 0 | 109.8 | ||||
| 31 | H | 29.5 | Very low | 30.8 | Very low | 197 Ų | 197 | 138.7 Ų | 138.7 | 91% | 0.912 | 81% | 0.813 | S | S | * | * | trans | -84.5 | 115.1 | 154.9 | -86.6 | -86.6 | 0 | 0 | 0 | 107.6 | ||||
| 32 | A | 30.1 | Very low | 31.2 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | trans | 170.3 | 81.7 | 151.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 33 | V | 33 | Very low | 31.3 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | trans | -160.1 | 85.8 | 136.1 | -174.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 34 | A | 28.8 | Very low | 31.7 | Very low | 92 Ų | 92 | 146.9 Ų | 146.9 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | trans | -101.9 | 109 | 160.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 35 | E | 31.1 | Very low | 32.2 | Very low | 189 Ų | 189 | 149.7 Ų | 149.7 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | trans | 167 | 95.1 | 150.3 | -99.4 | 177.1 | 156.1 | 0 | 0 | 110.4 | ||||
| 36 | A | 33.8 | Very low | 32.6 | Very low | 93 Ų | 93 | 150 Ų | 150 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | trans | 178 | 90 | 152.2 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 37 | L | 32 | Very low | 33.1 | Very low | 145 Ų | 145 | 152.3 Ų | 152.3 | 76% | 0.759 | 83% | 0.831 | S | S | * | * | 31.3 | 124.2 | 87.6 | -102.4 | 100.8 | 0 | 0 | 0 | 111.8 | |||||
| 38 | E | 31 | Very low | 33.8 | Very low | 160 Ų | 160 | 156.7 Ų | 156.7 | 75% | 0.748 | 84% | 0.836 | S | S | * | * | cis | -174.3 | 165.7 | 4.7 | -138.7 | 172.1 | -175 | 0 | 0 | 105.2 | ||||
| 39 | E | 31.5 | Very low | 34.5 | Very low | 179 Ų | 179 | 156.4 Ų | 156.4 | 84% | 0.836 | 83% | 0.834 | S | S | * | * | trans | 76.4 | 108.5 | 169 | -57.7 | -176.1 | 155.5 | 0 | 0 | 118.7 | ||||
| 40 | V | 36.6 | Very low | 35.7 | Very low | 139 Ų | 139 | 161.2 Ų | 161.2 | 84% | 0.842 | 84% | 0.842 | S | S | * | * | -172.5 | 98.7 | 110.9 | 172.1 | 0 | 0 | 0 | 0 | 109 | |||||
| 41 | Q | 31.8 | Very low | 36.9 | Very low | 184 Ų | 184 | 159.7 Ų | 159.7 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | trans | 43.6 | 111.8 | 137.2 | -143.7 | 122.9 | 14.6 | 0 | 0 | 121.3 | ||||
| 42 | E | 37.3 | Very low | 38.2 | Very low | 192 Ų | 192 | 158.4 Ų | 158.4 | 90% | 0.897 | 83% | 0.833 | S | S | * | * | trans | -66.3 | 136.9 | 155.5 | -77.3 | 171.1 | 131.4 | 0 | 0 | 111.4 | ||||
| 43 | E | 36.7 | Very low | 39.4 | Very low | 193 Ų | 193 | 162.9 Ų | 162.9 | 90% | 0.902 | 84% | 0.838 | S | S | * | * | trans | -133.8 | 125.5 | 157.8 | -125.1 | -178.3 | -172.8 | 0 | 0 | 110.2 | ||||
| 44 | L | 36.7 | Very low | 40.4 | Very low | 174 Ų | 174 | 162.6 Ų | 162.6 | 91% | 0.911 | 83% | 0.832 | S | S | * | * | trans | -90.3 | 129.7 | -171.8 | -175.2 | 75 | 0 | 0 | 0 | 109.7 | ||||
| 45 | I | 37.9 | Very low | 41.8 | Very low | 152 Ų | 152 | 164 Ų | 164 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | trans | -118.5 | 122.1 | 173.9 | -60.4 | 173.7 | 0 | 0 | 0 | 110 | ||||
| 46 | E | 35.3 | Very low | 43.2 | Very low | 186 Ų | 186 | 160.3 Ų | 160.3 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -87 | 139.2 | 179.5 | -168.7 | 173.4 | -176 | 0 | 0 | 111 | ||
| 47 | H | 40 | Very low | 44.3 | Very low | 186 Ų | 186 | 163.3 Ų | 163.3 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -98 | 130.4 | 178.3 | -75.7 | -71.7 | 0 | 0 | 0 | 112 | ||
| 48 | Q | 46.4 | Very low | 45.8 | Very low | 185 Ų | 185 | 162.7 Ų | 162.7 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 144.6 | 176.4 | -164.2 | 167.1 | 3.9 | 0 | 0 | 111.4 | ||
| 49 | P | 49 | Very low | 47.3 | Very low | 118 Ų | 118 | 163.5 Ų | 163.5 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 149.2 | -174.7 | 33.2 | -28.6 | 0 | 0 | 0 | 113.8 | ||
| 50 | L | 52.3 | Low | 48.7 | Very low | 170 Ų | 170 | 164.7 Ų | 164.7 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 140.2 | -178.4 | -78.8 | 157.8 | 0 | 0 | 0 | 113.2 | ||
| 51 | E | 55.2 | Low | 49.8 | Very low | 181 Ų | 181 | 164.6 Ų | 164.6 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 162.5 | 179.4 | -75.2 | -170.9 | 135.8 | 0 | 0 | 114.9 | E53 | E51-E53 VanDerWaalsContact C-N 3.33Å; E51-E53 PolarHBondContact O-N 2.76Å |
| 52 | Q | 56.1 | Low | 51.4 | Low | 170 Ų | 170 | 161.8 Ų | 161.8 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -77.4 | 22.3 | -157.9 | -154.1 | 138.4 | -9.1 | 0 | 0 | 117.4 | L55 | Q52-L55 HydrophobicContact CG-CD1 4.16Š|
| 53 | E | 55.7 | Low | 52.9 | Low | 185 Ų | 185 | 161.9 Ų | 161.9 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -83.8 | -5.5 | -175.8 | -69.4 | -162.4 | 150 | 0 | 0 | 115.1 | E51 L55 | E51-E53 VanDerWaalsContact C-N 3.33Å; E51-E53 PolarHBondContact O-N 2.76Å; E53-L55 VanDerWaalsContact C-N 3.31Å; E53-L55 PolarHBondContact O-N 3.25Å |
| 54 | D | 52.4 | Low | 54.2 | Low | 142 Ų | 142 | 158.6 Ų | 158.6 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -80.1 | -1 | -177.5 | -73.2 | -31.4 | 0 | 0 | 0 | 115.3 | ||
| 55 | L | 58.1 | Low | 55.4 | Low | 120 Ų | 120 | 159.6 Ų | 159.6 | 63% | 0.628 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -91.7 | 5.1 | -172.5 | -70.9 | 170 | 0 | 0 | 0 | 115.4 | Q52 E53 F57 | Q52-L55 HydrophobicContact CG-CD1 4.16Å; E53-L55 VanDerWaalsContact C-N 3.31Å; E53-L55 PolarHBondContact O-N 3.25Å; L55-F57 VanDerWaalsContact C-N 3.32Å; L55-F57 PolarHBondContact O-N 3.27Å |
| 56 | N | 61.8 | Low | 56.9 | Low | 112 Ų | 112 | 157.9 Ų | 157.9 | 60% | 0.599 | 77% | 0.774 | S | S | * | * | trans | -82.2 | 74.8 | 179.2 | -155.6 | -15.4 | 0 | 0 | 0 | 112.7 | E58 K59 | N56-E58 PolarHBondContact O-N 2.99Å; N56-K59 PolarHBondContact O-N 3.34Å | ||
| 57 | F | 57.3 | Low | 58.3 | Low | 157 Ų | 157 | 159.1 Ų | 159.1 | 69% | 0.689 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -65.9 | -11.8 | -178.4 | -91.7 | -92.7 | 0 | 0 | 0 | 115.2 | L55 K59 | L55-F57 VanDerWaalsContact C-N 3.32Å; L55-F57 PolarHBondContact O-N 3.27Å; F57-K59 VanDerWaalsContact C-N 3.34Å |
| 58 | E | 62.4 | Low | 59.6 | Low | 132 Ų | 132 | 157.8 Ų | 157.8 | 62% | 0.617 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -75.4 | -24.1 | -179.9 | -63.8 | -133.2 | 114.9 | 0 | 0 | 113.4 | N56 W60 K61 | N56-E58 PolarHBondContact O-N 2.99Å; E58-W60 PolarHBondContact O-N 3.46Å; E58-K61 PolarHBondContact O-N 3.42Å; E58-K61 IonicContact OE1-NZ 2.87Å; E58-K61 PolarHBondContact OE1-NZ 3.49Å |
| 59 | K | 62.2 | Low | 60.9 | Low | 177 Ų | 177 | 152.7 Ų | 152.7 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -63.9 | -24.2 | 177.7 | -169.6 | 173.7 | -179.8 | -179.3 | 0 | 112.8 | N56 F57 | N56-K59 PolarHBondContact O-N 3.34Å; F57-K59 VanDerWaalsContact C-N 3.34Å |
| 60 | W | 61.4 | Low | 62.1 | Low | 204 Ų | 204 | 154.1 Ų | 154.1 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -98.8 | 3.5 | -173.3 | -57.4 | 100.6 | 0 | 0 | 0 | 114 | E58 P62 | E58-W60 PolarHBondContact O-N 3.46Å; W60-P62 WeakPolarHBondContact O-CD 3.44Å |
| 61 | K | 60.3 | Low | 63.1 | Low | 136 Ų | 136 | 153.2 Ų | 153.2 | 59% | 0.591 | 74% | 0.736 | S | S | * | * | trans | -69.2 | 113.6 | 176.8 | -73.8 | 178.7 | -178.6 | 167.1 | 0 | 109.8 | E58 K63 | E58-K61 PolarHBondContact O-N 3.42Å; E58-K61 IonicContact OE1-NZ 2.87Å; E58-K61 PolarHBondContact OE1-NZ 3.49Å; K61-K63 PolarHBondContact O-N 3.41Å | ||
| 62 | P | 65.4 | Low | 64 | Low | 126 Ų | 126 | 149.1 Ų | 149.1 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 124.1 | -179.5 | 25.9 | -31.1 | 0 | 0 | 0 | 109.8 | W60 | W60-P62 WeakPolarHBondContact O-CD 3.44Š|
| 63 | K | 68.3 | Low | 65 | Low | 193 Ų | 193 | 146.5 Ų | 146.5 | 84% | 0.839 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 141.2 | 177.4 | -67.1 | -179.5 | 179.8 | 179.3 | 0 | 110.6 | K61 K65 | K61-K63 PolarHBondContact O-N 3.41Å; K63-K65 PolarHBondContact O-N 3.43Å |
| 64 | P | 64.8 | Low | 66 | Low | 125 Ų | 125 | 140.6 Ų | 140.6 | 81% | 0.812 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 125 | 178.9 | 25.2 | -32.2 | 0 | 0 | 0 | 110.5 | ||
| 65 | K | 61.3 | Low | 67.1 | Low | 194 Ų | 194 | 139.6 Ų | 139.6 | 84% | 0.843 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 133.4 | 178.5 | -64.3 | -177.3 | -178.6 | 179.9 | 0 | 109.5 | K63 | K63-K65 PolarHBondContact O-N 3.43Š|
| 66 | P | 69.8 | Low | 67.9 | Low | 116 Ų | 116 | 137.1 Ų | 137.1 | 75% | 0.753 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 144.3 | -180 | 24.7 | -33 | 0 | 0 | 0 | 111.5 | R68 | P66-R68 PolarHBondContact O-N 3.33Š|
| 67 | K | 64.1 | Low | 68.6 | Low | 212 Ų | 212 | 136.4 Ų | 136.4 | 92% | 0.922 | 66% | 0.662 | S | S | * | * | trans | -71.4 | 109.9 | 178.5 | -69.2 | -176.7 | -178.9 | 178.8 | 0 | 109.6 | ||||
| 68 | R | 66.3 | Low | 69.6 | Low | 159 Ų | 159 | 136.2 Ų | 136.2 | 60% | 0.6 | 66% | 0.661 | S | S | * | * | trans | -63.8 | 136.5 | -179.7 | -60.9 | -173.7 | -177.4 | -177.8 | 2.3 | 112.3 | P66 K73 D76 | P66-R68 PolarHBondContact O-N 3.33Å; R68-K73 HydrophobicContact CB-CG 4.3Å; R68-D76 IonicContact CZ-OD2 2.66Å; R68-D76 IonicContact NH1-OD2 3.49Å; R68-D76 PolarHBondContact NH1-OD2 2.75Å | ||
| 69 | T | 75.1 | Confident | 70.1 | Confident | 77 Ų | 77 | 132.3 Ų | 132.3 | 47% | 0.472 | 65% | 0.646 | S | S | . | * | trans | -70.6 | 155.7 | 175.8 | 62.6 | 0 | 0 | 0 | 0 | 111.5 | H71 E72 K73 | T69-H71 PolarHBondContact O-N 2.83Å; T69-E72 PolarHBondContact N-OE2 2.96Å; T69-E72 PolarHBondContact O-N 3.35Å; T69-E72 VanDerWaalsContact OG1-CG 3.23Å; T69-E72 WeakPolarHBondContact OG1-CG 3.38Å; T69-E72 PolarHBondContact OG1-OE2 3.46Å; T69-K73 PolarHBondContact O-N 2.95Å; T69-K73 VanDerWaalsContact O-N 3.13Å | ||
| 70 | L | 73.8 | Confident | 70.8 | Confident | 149 Ų | 149 | 131 Ų | 131 | 78% | 0.78 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -60 | -32.9 | -179.1 | -81.7 | 168.2 | 0 | 0 | 0 | 112.8 | K73 A74 | L70-K73 PolarHBondContact O-N 3.05Å; L70-A74 WeakPolarHBondContact O-CB 3.13Å; L70-A74 PolarHBondContact O-N 2.71Å |
| 71 | H | 73.3 | Confident | 71.6 | Confident | 150 Ų | 150 | 125.5 Ų | 125.5 | 69% | 0.694 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.3 | -40.8 | 177.8 | -172.1 | -87.6 | 0 | 0 | 0 | 112.1 | T69 K73 A74 F75 | T69-H71 PolarHBondContact O-N 2.83Å; H71-K73 VanDerWaalsContact C-N 3.33Å; H71-K73 PolarHBondContact O-N 3.18Å; H71-A74 PolarHBondContact O-N 3Å; H71-F75 WeakPolarHBondContact O-CB 3.23Å; H71-F75 PolarHBondContact O-N 3.2Å |
| 72 | E | 74.9 | Confident | 72.5 | Confident | 95 Ų | 95 | 126 Ų | 126 | 44% | 0.444 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.5 | -39.3 | 173.7 | -72.1 | 164.9 | 148.6 | 0 | 0 | 111.3 | T69 F75 D76 | T69-E72 PolarHBondContact N-OE2 2.96Å; T69-E72 PolarHBondContact O-N 3.35Å; T69-E72 VanDerWaalsContact OG1-CG 3.23Å; T69-E72 WeakPolarHBondContact OG1-CG 3.38Å; T69-E72 PolarHBondContact OG1-OE2 3.46Å; E72-F75 PolarHBondContact O-N 3.15Å; E72-D76 WeakPolarHBondContact O-CB 3.47Å; E72-D76 PolarHBondContact O-N 2.95Å |
| 73 | K | 76.6 | Confident | 73.2 | Confident | 116 Ų | 116 | 121.7 Ų | 121.7 | 50% | 0.504 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.9 | -42.6 | 174.6 | -67.1 | 178.9 | -178.1 | -179.9 | 0 | 112.2 | R68 T69 L70 H71 D76 V77 | R68-K73 HydrophobicContact CB-CG 4.3Å; T69-K73 PolarHBondContact O-N 2.95Å; T69-K73 VanDerWaalsContact O-N 3.13Å; L70-K73 PolarHBondContact O-N 3.05Å; H71-K73 VanDerWaalsContact C-N 3.33Å; H71-K73 PolarHBondContact O-N 3.18Å; K73-D76 PolarHBondContact O-N 2.84Å; K73-V77 WeakPolarHBondContact O-CG2 3.46Å; K73-V77 PolarHBondContact O-N 3.48Å |
| 74 | A | 76.5 | Confident | 73.4 | Confident | 61 Ų | 61 | 116 Ų | 116 | 50% | 0.504 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.2 | -37.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L70 H71 V77 K78 | L70-A74 WeakPolarHBondContact O-CB 3.13Å; L70-A74 PolarHBondContact O-N 2.71Å; H71-A74 PolarHBondContact O-N 3Å; A74-V77 PolarHBondContact O-N 2.85Å; A74-K78 WeakPolarHBondContact O-CB 2.98Å; A74-K78 PolarHBondContact O-N 3.37Å |
| 75 | F | 75.8 | Confident | 73.8 | Confident | 120 Ų | 120 | 118.8 Ų | 118.8 | 53% | 0.526 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.3 | -44.5 | 173.7 | -173.8 | -94.8 | 0 | 0 | 0 | 111.5 | H71 E72 V77 K78 T79 | H71-F75 WeakPolarHBondContact O-CB 3.23Å; H71-F75 PolarHBondContact O-N 3.2Å; E72-F75 PolarHBondContact O-N 3.15Å; F75-V77 VanDerWaalsContact C-N 3.32Å; F75-V77 PolarHBondContact O-N 2.96Å; F75-K78 PolarHBondContact O-N 3.05Å; F75-T79 WeakPolarHBondContact O-CB 3.25Å; F75-T79 PolarHBondContact O-N 2.83Å; F75-T79 PolarHBondContact O-OG1 3.25Å |
| 76 | D | 74.2 | Confident | 74.3 | Confident | 69 Ų | 69 | 112.9 Ų | 112.9 | 37% | 0.369 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59 | -42.2 | 174.5 | -75.8 | -11.8 | 0 | 0 | 0 | 111.6 | R68 E72 K73 Y80 | R68-D76 IonicContact CZ-OD2 2.66Å; R68-D76 IonicContact NH1-OD2 3.49Å; R68-D76 PolarHBondContact NH1-OD2 2.75Å; E72-D76 WeakPolarHBondContact O-CB 3.47Å; E72-D76 PolarHBondContact O-N 2.95Å; K73-D76 PolarHBondContact O-N 2.84Å; D76-Y80 WeakPolarHBondContact O-CB 3.37Å; D76-Y80 PolarHBondContact O-N 2.78Å |
| 77 | V | 77.1 | Confident | 74.4 | Confident | 96 Ų | 96 | 116.8 Ų | 116.8 | 58% | 0.582 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66 | -41 | 176.3 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | K73 A74 F75 Y80 L81 | K73-V77 WeakPolarHBondContact O-CG2 3.46Å; K73-V77 PolarHBondContact O-N 3.48Å; A74-V77 PolarHBondContact O-N 2.85Å; F75-V77 VanDerWaalsContact C-N 3.32Å; F75-V77 PolarHBondContact O-N 2.96Å; V77-Y80 PolarHBondContact O-N 3.16Å; V77-L81 WeakPolarHBondContact O-CB 3.22Å; V77-L81 PolarHBondContact O-N 2.8Å |
| 78 | K | 78.1 | Confident | 75.1 | Confident | 154 Ų | 154 | 109.6 Ų | 109.6 | 67% | 0.67 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.4 | -45.4 | 177.4 | -176.5 | -179.1 | 176.6 | -176.1 | 0 | 111.4 | A74 F75 L81 W82 | A74-K78 WeakPolarHBondContact O-CB 2.98Å; A74-K78 PolarHBondContact O-N 3.37Å; F75-K78 PolarHBondContact O-N 3.05Å; K78-L81 PolarHBondContact O-N 3.03Å; K78-W82 PolarHBondContact O-N 2.87Å |
| 79 | T | 72.6 | Confident | 75.6 | Confident | 49 Ų | 49 | 105.9 Ų | 105.9 | 30% | 0.301 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.2 | -34.1 | 178.2 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | F75 W82 N83 | F75-T79 WeakPolarHBondContact O-CB 3.25Å; F75-T79 PolarHBondContact O-N 2.83Å; F75-T79 PolarHBondContact O-OG1 3.25Å; T79-W82 CarbonylContact O-C 3.5Å; T79-N83 PolarHBondContact O-N 2.88Å |
| 80 | Y | 76.4 | Confident | 75.8 | Confident | 150 Ų | 150 | 105.7 Ų | 105.7 | 59% | 0.588 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.9 | -42.1 | 171.7 | 177.9 | -100.3 | 0 | 0 | 0 | 111.9 | D76 V77 M90 | D76-Y80 WeakPolarHBondContact O-CB 3.37Å; D76-Y80 PolarHBondContact O-N 2.78Å; V77-Y80 PolarHBondContact O-N 3.16Å; Y80-M90 HydrophobicContact CE1-CB 4.49Å; Y80-M90 HydrophobicContact CE1-CG 4.44Å; Y80-M90 WeakPolarHBondContact O-CA 3.47Å; Y80-M90 PolarHBondContact O-N 2.82Å |
| 81 | L | 79.4 | Confident | 75.8 | Confident | 88 Ų | 88 | 101 Ų | 101 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 178.6 | -161.4 | 78.3 | 0 | 0 | 0 | 111.1 | V77 K78 F89 M90 | V77-L81 WeakPolarHBondContact O-CB 3.22Å; V77-L81 PolarHBondContact O-N 2.8Å; K78-L81 PolarHBondContact O-N 3.03Å; L81-F89 WeakPolarHBondContact O-CD2 3.38Å; L81-M90 HydrophobicContact CD1-CE 3.57Å; L81-M90 PolarHBondContact O-N 3.09Å |
| 82 | W | 79.4 | Confident | 76.2 | Confident | 146 Ų | 146 | 100 Ų | 100 | 55% | 0.553 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 115.6 | 178.5 | 179.9 | -101.9 | 0 | 0 | 0 | 111.3 | K78 T79 F89 | K78-W82 PolarHBondContact O-N 2.87Å; T79-W82 CarbonylContact O-C 3.5Å; W82-F89 HydrophobicContact CE3-CB 4.18Å; W82-F89 HydrophobicContact CE3-CD2 4.16Å; W82-F89 HydrophobicContact CZ3-CB 4.28Å |
| 83 | N | 79.1 | Confident | 76.7 | Confident | 37 Ų | 37 | 98.3 Ų | 98.3 | 20% | 0.198 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 106.4 | 170.9 | -168.7 | -18.3 | 0 | 0 | 0 | 109.6 | T79 E85 T86 R87 E88 | T79-N83 PolarHBondContact O-N 2.88Å; N83-E85 VanDerWaalsContact C-N 3.29Å; N83-E85 PolarHBondContact O-N 2.77Å; N83-E85 PolarHBondContact OD1-N 3.22Å; N83-E85 VanDerWaalsContact OD1-N 3.12Å; N83-T86 WeakPolarHBondContact CB-OG1 3.36Å; N83-T86 VanDerWaalsContact CG-OG1 3.24Å; N83-T86 PolarHBondContact ND2-OG1 2.79Å; N83-R87 VanDerWaalsContact O-CA 3.29Å; N83-R87 WeakPolarHBondContact O-CA 3Å; N83-R87 PolarHBondContact O-N 2.04Å; N83-E88 PolarHBondContact N-O 2.83Å; N83-E88 PolarHBondContact O-N 2.75Å |
| 84 | A | 72.7 | Confident | 77 | Confident | 74 Ų | 74 | 95.2 Ų | 95.2 | 61% | 0.612 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -24 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 85 | E | 73.6 | Confident | 77.3 | Confident | 183 Ų | 183 | 98.6 Ų | 98.6 | 86% | 0.855 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -42.8 | -178.8 | -66 | -177.5 | 171.9 | 0 | 0 | 111.8 | N83 | N83-E85 VanDerWaalsContact C-N 3.29Å; N83-E85 PolarHBondContact O-N 2.77Å; N83-E85 PolarHBondContact OD1-N 3.22Å; N83-E85 VanDerWaalsContact OD1-N 3.12Å |
| 86 | T | 70.9 | Confident | 77.9 | Confident | 69 Ų | 69 | 94.7 Ų | 94.7 | 42% | 0.423 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -6.8 | 179.1 | 59 | 0 | 0 | 0 | 0 | 113.7 | N83 E88 | N83-T86 WeakPolarHBondContact CB-OG1 3.36Å; N83-T86 VanDerWaalsContact CG-OG1 3.24Å; N83-T86 PolarHBondContact ND2-OG1 2.79Å; T86-E88 VanDerWaalsContact C-N 3.26Å; T86-E88 PolarHBondContact O-N 2.89Å; T86-E88 VanDerWaalsContact OG1-CD 3.32Å; T86-E88 WeakPolarHBondContact OG1-CG 3.49Å; T86-E88 PolarHBondContact OG1-OE2 2.82Å |
| 87 | R | 71.7 | Confident | 78.5 | Confident | 198 Ų | 198 | 94.8 Ų | 94.8 | 75% | 0.747 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 40.9 | -172.5 | -59.5 | -178.6 | -179.9 | 170.1 | 0.2 | 112.7 | N83 | N83-R87 VanDerWaalsContact O-CA 3.29Å; N83-R87 WeakPolarHBondContact O-CA 3Å; N83-R87 PolarHBondContact O-N 2.04Å |
| 88 | E | 80.1 | Confident | 79.1 | Confident | 61 Ų | 61 | 96.2 Ų | 96.2 | 29% | 0.285 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 137.3 | 178.7 | -67.9 | 171 | 154.6 | 0 | 0 | 110.8 | N83 T86 R92 T93 | N83-E88 PolarHBondContact N-O 2.83Å; N83-E88 PolarHBondContact O-N 2.75Å; T86-E88 VanDerWaalsContact C-N 3.26Å; T86-E88 PolarHBondContact O-N 2.89Å; T86-E88 VanDerWaalsContact OG1-CD 3.32Å; T86-E88 WeakPolarHBondContact OG1-CG 3.49Å; T86-E88 PolarHBondContact OG1-OE2 2.82Å; E88-R92 WeakPolarHBondContact CA-O 3.02Å; E88-T93 HydrophobicContact CG-CG2 4.05Å |
| 89 | F | 76.9 | Confident | 79.8 | Confident | 81 Ų | 81 | 92.9 Ų | 92.9 | 36% | 0.355 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.5 | 173.5 | 179.9 | -105.2 | 0 | 0 | 0 | 108.3 | L81 W82 G91 R92 W97 | L81-F89 WeakPolarHBondContact O-CD2 3.38Å; W82-F89 HydrophobicContact CE3-CB 4.18Å; W82-F89 HydrophobicContact CE3-CD2 4.16Å; W82-F89 HydrophobicContact CZ3-CB 4.28Å; F89-G91 PolarHBondContact O-N 3.49Å; F89-G91 VanDerWaalsContact O-N 3.16Å; F89-R92 PolarHBondContact N-O 2.87Å; F89-R92 PolarHBondContact O-N 3.14Å; F89-R92 VanDerWaalsContact O-N 3.11Å; F89-W97 AromaticContact CD1-CE2 3.81Å; F89-W97 AromaticContact CD1-CZ2 4Å; F89-W97 HydrophobicContact CD1-CZ2 4Å; F89-W97 AromaticContact CD1-NE1 3.68Å; F89-W97 HydrophobicContact CE1-CZ2 4.27Å; F89-W97 PolarHBondContact O-NE1 3.25Å |
| 90 | M | 77.8 | Confident | 80.7 | Confident | 73 Ų | 73 | 92.3 Ų | 92.3 | 36% | 0.36 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 40.6 | -177.9 | -62.4 | -176.4 | 175.5 | 0 | 0 | 113.7 | Y80 L81 R92 W97 | Y80-M90 HydrophobicContact CE1-CB 4.49Å; Y80-M90 HydrophobicContact CE1-CG 4.44Å; Y80-M90 WeakPolarHBondContact O-CA 3.47Å; Y80-M90 PolarHBondContact O-N 2.82Å; L81-M90 HydrophobicContact CD1-CE 3.57Å; L81-M90 PolarHBondContact O-N 3.09Å; M90-R92 PolarHBondContact O-N 3.08Å; M90-W97 HydrophobicContact CB-CZ2 4.22Å |
| 91 | G | 73.9 | Confident | 81.5 | Confident | 51 Ų | 51 | 89.7 Ų | 89.7 | 53% | 0.526 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 16.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | F89 | F89-G91 PolarHBondContact O-N 3.49Å; F89-G91 VanDerWaalsContact O-N 3.16Å |
| 92 | R | 82 | Confident | 82.3 | Confident | 128 Ų | 128 | 90.1 Ų | 90.1 | 48% | 0.483 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 147.9 | 173.2 | -67 | -177.2 | 175.8 | 152.1 | -1.6 | 111.7 | E88 F89 M90 I100 | E88-R92 WeakPolarHBondContact CA-O 3.02Å; F89-R92 PolarHBondContact N-O 2.87Å; F89-R92 PolarHBondContact O-N 3.14Å; F89-R92 VanDerWaalsContact O-N 3.11Å; M90-R92 PolarHBondContact O-N 3.08Å; R92-I100 VanDerWaalsContact NH1-CD1 3.29Å |
| 93 | T | 86 | Confident | 83.1 | Confident | 60 Ų | 60 | 88.9 Ų | 88.9 | 37% | 0.368 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 152.9 | 175 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | E88 H95 S96 W97 | E88-T93 HydrophobicContact CG-CG2 4.05Å; T93-H95 PolarHBondContact O-N 2.86Å; T93-S96 WeakPolarHBondContact O-CB 3.1Å; T93-S96 PolarHBondContact O-N 2.59Å; T93-S96 PolarHBondContact OG1-N 3.46Å; T93-W97 PolarHBondContact O-N 3.42Å |
| 94 | G | 82.1 | Confident | 83.9 | Confident | 51 Ų | 51 | 92.5 Ų | 92.5 | 53% | 0.526 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -56.1 | -32.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | W97 F98 | G94-W97 PolarHBondContact O-N 3.19Å; G94-F98 WeakPolarHBondContact O-CB 3.17Å; G94-F98 PolarHBondContact O-N 2.95Å |
| 95 | H | 84.3 | Confident | 85.1 | Confident | 133 Ų | 133 | 93.2 Ų | 93.2 | 62% | 0.616 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.4 | -43.3 | 174 | -177.8 | -97.5 | 0 | 0 | 0 | 112.4 | T93 F98 L99 | T93-H95 PolarHBondContact O-N 2.86Å; H95-F98 PolarHBondContact O-N 3.26Å; H95-L99 VanDerWaalsContact CE1-CD1 3.46Å; H95-L99 WeakPolarHBondContact CE1-CD1 3.37Å; H95-L99 WeakPolarHBondContact O-CG 3.47Å; H95-L99 PolarHBondContact O-N 3.09Å |
| 96 | S | 87.1 | Confident | 86.2 | Confident | 38 Ų | 38 | 87.4 Ų | 87.4 | 27% | 0.266 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 174.9 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | T93 L99 I100 | T93-S96 WeakPolarHBondContact O-CB 3.1Å; T93-S96 PolarHBondContact O-N 2.59Å; T93-S96 PolarHBondContact OG1-N 3.46Å; S96-L99 PolarHBondContact O-N 3.23Å; S96-I100 WeakPolarHBondContact O-CB 3.42Å; S96-I100 WeakPolarHBondContact O-CD1 3.39Å; S96-I100 WeakPolarHBondContact O-CG1 3.42Å; S96-I100 PolarHBondContact O-N 3.14Å |
| 97 | W | 87.7 | Confident | 87.4 | Confident | 71 Ų | 71 | 87.3 Ų | 87.3 | 27% | 0.269 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 174.2 | -89.3 | 108.2 | 0 | 0 | 0 | 112.9 | F89 M90 T93 G94 L99 I100 I101 | F89-W97 AromaticContact CD1-CE2 3.81Å; F89-W97 AromaticContact CD1-CZ2 4Å; F89-W97 HydrophobicContact CD1-CZ2 4Å; F89-W97 AromaticContact CD1-NE1 3.68Å; F89-W97 HydrophobicContact CE1-CZ2 4.27Å; F89-W97 PolarHBondContact O-NE1 3.25Å; M90-W97 HydrophobicContact CB-CZ2 4.22Å; T93-W97 PolarHBondContact O-N 3.42Å; G94-W97 PolarHBondContact O-N 3.19Å; W97-L99 PolarHBondContact O-N 3.48Å; W97-I100 PolarHBondContact O-N 2.96Å; W97-I101 HydrophobicContact CE3-CD1 4.31Å; W97-I101 HydrophobicContact CE3-CG1 4.43Å; W97-I101 WeakPolarHBondContact O-CB 3.22Å; W97-I101 VanDerWaalsContact O-CG1 3.24Å; W97-I101 WeakPolarHBondContact O-CG1 3.47Å; W97-I101 PolarHBondContact O-N 3.07Å |
| 98 | F | 90 | Very high | 88.7 | Confident | 126 Ų | 126 | 85 Ų | 85 | 55% | 0.553 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -59.7 | -46.1 | 175.7 | 175.8 | -100.9 | 0 | 0 | 0 | 111.7 | G94 H95 I100 I101 L102 | G94-F98 WeakPolarHBondContact O-CB 3.17Å; G94-F98 PolarHBondContact O-N 2.95Å; H95-F98 PolarHBondContact O-N 3.26Å; F98-I100 PolarHBondContact O-N 2.84Å; F98-I101 PolarHBondContact O-N 3Å; F98-L102 HydrophobicContact CZ-CD1 4.42Å; F98-L102 VanDerWaalsContact O-CB 3.23Å; F98-L102 WeakPolarHBondContact O-CB 3.43Å; F98-L102 PolarHBondContact O-N 2.79Å |
| 99 | L | 91.1 | Very high | 89.5 | Confident | 84 Ų | 84 | 85 Ų | 85 | 44% | 0.44 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 177.2 | -72.1 | 175.7 | 0 | 0 | 0 | 112.6 | H95 S96 W97 F103 | H95-L99 VanDerWaalsContact CE1-CD1 3.46Å; H95-L99 WeakPolarHBondContact CE1-CD1 3.37Å; H95-L99 WeakPolarHBondContact O-CG 3.47Å; H95-L99 PolarHBondContact O-N 3.09Å; S96-L99 PolarHBondContact O-N 3.23Å; W97-L99 PolarHBondContact O-N 3.48Å; L99-F103 VanDerWaalsContact O-CB 3.23Å; L99-F103 WeakPolarHBondContact O-CB 3.37Å; L99-F103 PolarHBondContact O-N 3.38Å |
| 100 | I | 92.7 | Very high | 90.5 | Very high | 36 Ų | 36 | 88.1 Ų | 88.1 | 19% | 0.185 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.8 | -48.5 | 176.6 | -70.3 | 161.3 | 0 | 0 | 0 | 110.2 | R92 S96 W97 F98 L102 F103 Y104 | R92-I100 VanDerWaalsContact NH1-CD1 3.29Å; S96-I100 WeakPolarHBondContact O-CB 3.42Å; S96-I100 WeakPolarHBondContact O-CD1 3.39Å; S96-I100 WeakPolarHBondContact O-CG1 3.42Å; S96-I100 PolarHBondContact O-N 3.14Å; W97-I100 PolarHBondContact O-N 2.96Å; F98-I100 PolarHBondContact O-N 2.84Å; I100-L102 PolarHBondContact O-N 2.87Å; I100-F103 PolarHBondContact O-N 2.9Å; I100-Y104 HydrophobicContact CG2-CD2 3.62Å; I100-Y104 HydrophobicContact CG2-CE2 3.76Å; I100-Y104 VanDerWaalsContact O-CD2 3.26Å; I100-Y104 WeakPolarHBondContact O-CD2 3.06Å; I100-Y104 PolarHBondContact O-N 3.19Å |
| 101 | I | 93.6 | Very high | 91.5 | Very high | 96 Ų | 96 | 88.1 Ų | 88.1 | 49% | 0.492 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 179.7 | -69.8 | 166.4 | 0 | 0 | 0 | 110.3 | W97 F98 F103 Y104 T105 | W97-I101 HydrophobicContact CE3-CD1 4.31Å; W97-I101 HydrophobicContact CE3-CG1 4.43Å; W97-I101 WeakPolarHBondContact O-CB 3.22Å; W97-I101 VanDerWaalsContact O-CG1 3.24Å; W97-I101 WeakPolarHBondContact O-CG1 3.47Å; W97-I101 PolarHBondContact O-N 3.07Å; F98-I101 PolarHBondContact O-N 3Å; I101-F103 PolarHBondContact O-N 2.85Å; I101-Y104 PolarHBondContact O-N 3.31Å; I101-T105 VanDerWaalsContact O-CB 3.22Å; I101-T105 WeakPolarHBondContact O-CB 3.35Å; I101-T105 PolarHBondContact O-N 2.95Å; I101-T105 PolarHBondContact O-OG1 2.93Å |
| 102 | L | 95.1 | Very high | 92.6 | Very high | 96 Ų | 96 | 88.6 Ų | 88.6 | 50% | 0.503 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.9 | -47.4 | 176.4 | -174.4 | 82.4 | 0 | 0 | 0 | 111 | F98 I100 T105 A106 | F98-L102 HydrophobicContact CZ-CD1 4.42Å; F98-L102 VanDerWaalsContact O-CB 3.23Å; F98-L102 WeakPolarHBondContact O-CB 3.43Å; F98-L102 PolarHBondContact O-N 2.79Å; I100-L102 PolarHBondContact O-N 2.87Å; L102-T105 PolarHBondContact O-N 3.26Å; L102-A106 WeakPolarHBondContact O-CB 3.23Å; L102-A106 PolarHBondContact O-N 2.8Å |
| 103 | F | 96.1 | Very high | 93.4 | Very high | 120 Ų | 120 | 85.5 Ų | 85.5 | 53% | 0.526 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.1 | -53 | 177.6 | 170 | -98 | 0 | 0 | 0 | 111.7 | L99 I100 I101 T105 A106 L107 | L99-F103 VanDerWaalsContact O-CB 3.23Å; L99-F103 WeakPolarHBondContact O-CB 3.37Å; L99-F103 PolarHBondContact O-N 3.38Å; I100-F103 PolarHBondContact O-N 2.9Å; I101-F103 PolarHBondContact O-N 2.85Å; F103-T105 VanDerWaalsContact C-N 3.31Å; F103-T105 PolarHBondContact O-N 2.97Å; F103-A106 PolarHBondContact O-N 3.13Å; F103-L107 HydrophobicContact CE1-CD2 4.1Å; F103-L107 HydrophobicContact CZ-CD2 4.27Å; F103-L107 VanDerWaalsContact O-CB 3.3Å; F103-L107 WeakPolarHBondContact O-CB 3.44Å; F103-L107 PolarHBondContact O-N 2.04Å |
| 104 | Y | 96.7 | Very high | 93.9 | Very high | 114 Ų | 114 | 87.5 Ų | 87.5 | 45% | 0.447 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.8 | -35.1 | 179.7 | -82.5 | -73.6 | 0 | 0 | 0 | 112.1 | I100 I101 L107 Y108 | I100-Y104 HydrophobicContact CG2-CD2 3.62Å; I100-Y104 HydrophobicContact CG2-CE2 3.76Å; I100-Y104 VanDerWaalsContact O-CD2 3.26Å; I100-Y104 WeakPolarHBondContact O-CD2 3.06Å; I100-Y104 PolarHBondContact O-N 3.19Å; I101-Y104 PolarHBondContact O-N 3.31Å; Y104-L107 HydrophobicContact CD1-CD2 4.18Å; Y104-L107 HydrophobicContact CE1-CD2 4.39Å; Y104-L107 PolarHBondContact O-N 3.05Å; Y104-Y108 HydrophobicContact CD1-CD2 4.24Å; Y104-Y108 AromaticContact CD1-CE2 3.68Å; Y104-Y108 HydrophobicContact CD1-CE2 3.68Å; Y104-Y108 HydrophobicContact CG-CE2 4.43Å; Y104-Y108 WeakPolarHBondContact O-CB 3.3Å; Y104-Y108 WeakPolarHBondContact O-CD2 3.49Å; Y104-Y108 PolarHBondContact O-N 3.31Å |
| 105 | T | 96.7 | Very high | 94.7 | Very high | 88 Ų | 88 | 91.4 Ų | 91.4 | 54% | 0.54 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.1 | -48 | 175.1 | -58 | 0 | 0 | 0 | 0 | 110.5 | I101 L102 F103 A109 | I101-T105 VanDerWaalsContact O-CB 3.22Å; I101-T105 WeakPolarHBondContact O-CB 3.35Å; I101-T105 PolarHBondContact O-N 2.95Å; I101-T105 PolarHBondContact O-OG1 2.93Å; L102-T105 PolarHBondContact O-N 3.26Å; F103-T105 VanDerWaalsContact C-N 3.31Å; F103-T105 PolarHBondContact O-N 2.97Å; T105-A109 WeakPolarHBondContact O-CB 3.06Å; T105-A109 PolarHBondContact O-N 3.26Å |
| 106 | A | 97.3 | Very high | 95.4 | Very high | 62 Ų | 62 | 86.8 Ų | 86.8 | 51% | 0.512 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L102 F103 A109 F110 | L102-A106 WeakPolarHBondContact O-CB 3.23Å; L102-A106 PolarHBondContact O-N 2.8Å; F103-A106 PolarHBondContact O-N 3.13Å; A106-A109 PolarHBondContact O-N 2.75Å; A106-F110 PolarHBondContact O-N 2.86Å |
| 107 | L | 97.4 | Very high | 95.9 | Very high | 67 Ų | 67 | 87.7 Ų | 87.7 | 35% | 0.351 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.9 | -51.5 | 177.9 | -179.5 | 70.6 | 0 | 0 | 0 | 111.5 | F103 Y104 A109 F110 L111 | F103-L107 HydrophobicContact CE1-CD2 4.1Å; F103-L107 HydrophobicContact CZ-CD2 4.27Å; F103-L107 VanDerWaalsContact O-CB 3.3Å; F103-L107 WeakPolarHBondContact O-CB 3.44Å; F103-L107 PolarHBondContact O-N 2.04Å; Y104-L107 HydrophobicContact CD1-CD2 4.18Å; Y104-L107 HydrophobicContact CE1-CD2 4.39Å; Y104-L107 PolarHBondContact O-N 3.05Å; L107-A109 VanDerWaalsContact C-N 3.34Å; L107-A109 PolarHBondContact O-N 3.19Å; L107-F110 PolarHBondContact O-N 3.38Å; L107-L111 HydrophobicContact CG-CD1 4.24Å; L107-L111 WeakPolarHBondContact O-CG 3.42Å; L107-L111 PolarHBondContact O-N 2.89Å |
| 108 | Y | 97.8 | Very high | 96.3 | Very high | 150 Ų | 150 | 88.1 Ų | 88.1 | 59% | 0.588 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69.4 | -31.9 | 180 | -78.6 | -64 | 0 | 0 | 0 | 112.5 | Y104 L111 A112 | Y104-Y108 HydrophobicContact CD1-CD2 4.24Å; Y104-Y108 AromaticContact CD1-CE2 3.68Å; Y104-Y108 HydrophobicContact CD1-CE2 3.68Å; Y104-Y108 HydrophobicContact CG-CE2 4.43Å; Y104-Y108 WeakPolarHBondContact O-CB 3.3Å; Y104-Y108 WeakPolarHBondContact O-CD2 3.49Å; Y104-Y108 PolarHBondContact O-N 3.31Å; Y108-L111 HydrophobicContact CD1-CD1 4.18Å; Y108-L111 HydrophobicContact CE1-CD1 4.44Å; Y108-L111 PolarHBondContact O-N 3.36Å; Y108-A112 WeakPolarHBondContact O-CB 3.17Å; Y108-A112 PolarHBondContact O-N 2.96Å |
| 109 | A | 97.6 | Very high | 96.7 | Very high | 61 Ų | 61 | 85.9 Ų | 85.9 | 50% | 0.504 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | T105 A106 L107 A112 A113 | T105-A109 WeakPolarHBondContact O-CB 3.06Å; T105-A109 PolarHBondContact O-N 3.26Å; A106-A109 PolarHBondContact O-N 2.75Å; L107-A109 VanDerWaalsContact C-N 3.34Å; L107-A109 PolarHBondContact O-N 3.19Å; A109-A112 PolarHBondContact O-N 2.94Å; A109-A113 WeakPolarHBondContact O-CB 3.34Å; A109-A113 PolarHBondContact O-N 3.05Å |
| 110 | F | 98 | Very high | 96.9 | Very high | 146 Ų | 146 | 90.5 Ų | 90.5 | 64% | 0.64 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.9 | -45.3 | 175.7 | 179.9 | -99.9 | 0 | 0 | 0 | 112.2 | A106 L107 A112 A113 M114 | A106-F110 PolarHBondContact O-N 2.86Å; L107-F110 PolarHBondContact O-N 3.38Å; F110-A112 VanDerWaalsContact C-N 3.33Å; F110-A112 PolarHBondContact O-N 3.07Å; F110-A113 PolarHBondContact O-N 3.37Å; F110-M114 PolarHBondContact O-N 3.47Å |
| 111 | L | 97.7 | Very high | 97.1 | Very high | 73 Ų | 73 | 92.7 Ų | 92.7 | 38% | 0.382 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 176.1 | -72.6 | 172.9 | 0 | 0 | 0 | 112 | L107 Y108 M114 F115 | L107-L111 HydrophobicContact CG-CD1 4.24Å; L107-L111 WeakPolarHBondContact O-CG 3.42Å; L107-L111 PolarHBondContact O-N 2.89Å; Y108-L111 HydrophobicContact CD1-CD1 4.18Å; Y108-L111 HydrophobicContact CE1-CD1 4.44Å; Y108-L111 PolarHBondContact O-N 3.36Å; L111-M114 PolarHBondContact O-N 3.12Å; L111-F115 WeakPolarHBondContact O-CB 3.25Å; L111-F115 PolarHBondContact O-N 3.2Å |
| 112 | A | 97.9 | Very high | 97.2 | Very high | 61 Ų | 61 | 92.2 Ų | 92.2 | 50% | 0.504 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y108 A109 F110 F115 G116 | Y108-A112 WeakPolarHBondContact O-CB 3.17Å; Y108-A112 PolarHBondContact O-N 2.96Å; A109-A112 PolarHBondContact O-N 2.94Å; F110-A112 VanDerWaalsContact C-N 3.33Å; F110-A112 PolarHBondContact O-N 3.07Å; A112-F115 PolarHBondContact O-N 3.2Å; A112-G116 PolarHBondContact O-N 3.41Å |
| 113 | A | 97.9 | Very high | 97.2 | Very high | 62 Ų | 62 | 93.6 Ų | 93.6 | 51% | 0.512 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A109 F110 G116 A117 | A109-A113 WeakPolarHBondContact O-CB 3.34Å; A109-A113 PolarHBondContact O-N 3.05Å; F110-A113 PolarHBondContact O-N 3.37Å; A113-G116 PolarHBondContact O-N 3.14Å; A113-A117 WeakPolarHBondContact O-CB 3.34Å; A113-A117 PolarHBondContact O-N 3.27Å |
| 114 | M | 98.1 | Very high | 97.1 | Very high | 102 Ų | 102 | 94 Ų | 94 | 50% | 0.502 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 175.2 | -173.9 | -164.7 | 74.5 | 0 | 0 | 111.1 | F110 L111 G116 A117 C118 | F110-M114 PolarHBondContact O-N 3.47Å; L111-M114 PolarHBondContact O-N 3.12Å; M114-G116 PolarHBondContact O-N 3.24Å; M114-A117 PolarHBondContact O-N 2.69Å; M114-C118 PolarHBondContact O-N 3.26Å; M114-C118 PolarHBondContact O-SG 2.85Å |
| 115 | F | 98.1 | Very high | 96.9 | Very high | 133 Ų | 133 | 92.7 Ų | 92.7 | 58% | 0.583 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61 | -43.9 | 176 | 176.6 | -101.7 | 0 | 0 | 0 | 112.1 | L111 A112 A117 C118 M119 | L111-F115 WeakPolarHBondContact O-CB 3.25Å; L111-F115 PolarHBondContact O-N 3.2Å; A112-F115 PolarHBondContact O-N 3.2Å; F115-A117 VanDerWaalsContact C-N 3.34Å; F115-A117 PolarHBondContact O-N 3.11Å; F115-C118 PolarHBondContact O-N 3.37Å; F115-M119 HydrophobicContact CD1-CG 4.25Å; F115-M119 HydrophobicContact CD2-CG 4.46Å; F115-M119 HydrophobicContact CE1-CG 3.74Å; F115-M119 HydrophobicContact CE2-CG 3.98Å; F115-M119 HydrophobicContact CE2-SD 4.34Å; F115-M119 HydrophobicContact CZ-CG 3.58Å; F115-M119 HydrophobicContact CZ-SD 4.05Å; F115-M119 WeakPolarHBondContact O-CG 3.14Å; F115-M119 PolarHBondContact O-N 3.4Å |
| 116 | G | 97.9 | Very high | 96.7 | Very high | 37 Ų | 37 | 91.8 Ų | 91.8 | 38% | 0.381 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A112 A113 M114 M119 W120 | A112-G116 PolarHBondContact O-N 3.41Å; A113-G116 PolarHBondContact O-N 3.14Å; M114-G116 PolarHBondContact O-N 3.24Å; G116-M119 PolarHBondContact O-N 2.94Å; G116-W120 WeakPolarHBondContact O-CB 3.31Å; G116-W120 PolarHBondContact O-N 2.93Å |
| 117 | A | 97.7 | Very high | 96.3 | Very high | 56 Ų | 56 | 90.4 Ų | 90.4 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | A113 M114 F115 M119 W120 C121 | A113-A117 WeakPolarHBondContact O-CB 3.34Å; A113-A117 PolarHBondContact O-N 3.27Å; M114-A117 PolarHBondContact O-N 2.69Å; F115-A117 VanDerWaalsContact C-N 3.34Å; F115-A117 PolarHBondContact O-N 3.11Å; A117-M119 PolarHBondContact O-N 2.64Å; A117-W120 WeakPolarHBondContact O-CB 3.33Å; A117-W120 PolarHBondContact O-N 3.17Å; A117-C121 PolarHBondContact O-N 3.08Å; A117-C121 PolarHBondContact O-SG 2.02Å; A117-C121 VanDerWaalsContact O-SG 3.36Å |
| 118 | C | 97.4 | Very high | 96 | Very high | 80 Ų | 80 | 91.4 Ų | 91.4 | 54% | 0.541 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 174.4 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | M114 F115 C121 L122 | M114-C118 PolarHBondContact O-N 3.26Å; M114-C118 PolarHBondContact O-SG 2.85Å; F115-C118 PolarHBondContact O-N 3.37Å; C118-C121 PolarHBondContact O-N 3.04Å; C118-L122 PolarHBondContact O-N 2.57Å |
| 119 | M | 97.3 | Very high | 95.6 | Very high | 80 Ų | 80 | 87.6 Ų | 87.6 | 39% | 0.394 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -38.5 | 175.9 | -74.9 | -60.2 | -64.2 | 0 | 0 | 112.1 | F115 G116 A117 L122 M123 | F115-M119 HydrophobicContact CD1-CG 4.25Å; F115-M119 HydrophobicContact CD2-CG 4.46Å; F115-M119 HydrophobicContact CE1-CG 3.74Å; F115-M119 HydrophobicContact CE2-CG 3.98Å; F115-M119 HydrophobicContact CE2-SD 4.34Å; F115-M119 HydrophobicContact CZ-CG 3.58Å; F115-M119 HydrophobicContact CZ-SD 4.05Å; F115-M119 WeakPolarHBondContact O-CG 3.14Å; F115-M119 PolarHBondContact O-N 3.4Å; G116-M119 PolarHBondContact O-N 2.94Å; A117-M119 PolarHBondContact O-N 2.64Å; M119-L122 HydrophobicContact CE-CD2 4.44Å; M119-L122 WeakPolarHBondContact O-CB 3.47Å; M119-L122 PolarHBondContact O-N 3.42Å; M119-L122 HydrophobicContact SD-CD2 4.22Å; M119-M123 WeakPolarHBondContact O-CG 3.44Å; M119-M123 PolarHBondContact O-N 2.88Å |
| 120 | W | 96.7 | Very high | 95.2 | Very high | 180 Ų | 180 | 88.7 Ų | 88.7 | 68% | 0.682 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.9 | -48.2 | 175.3 | -177.7 | -86.1 | 0 | 0 | 0 | 111.7 | G116 A117 L122 M123 L124 | G116-W120 WeakPolarHBondContact O-CB 3.31Å; G116-W120 PolarHBondContact O-N 2.93Å; A117-W120 WeakPolarHBondContact O-CB 3.33Å; A117-W120 PolarHBondContact O-N 3.17Å; W120-L122 VanDerWaalsContact C-N 3.29Å; W120-L122 PolarHBondContact O-N 3.23Å; W120-M123 PolarHBondContact O-N 3.29Å; W120-M123 VanDerWaalsContact O-N 3.14Å; W120-L124 WeakPolarHBondContact O-CG 3.21Å; W120-L124 PolarHBondContact O-N 3.43Å |
| 121 | C | 96.7 | Very high | 94.9 | Very high | 83 Ų | 83 | 84.5 Ų | 84.5 | 56% | 0.561 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -58.7 | -41 | 175.1 | -69.1 | 0 | 0 | 0 | 0 | 112.1 | A117 C118 L124 S125 | A117-C121 PolarHBondContact O-N 3.08Å; A117-C121 PolarHBondContact O-SG 2.02Å; A117-C121 VanDerWaalsContact O-SG 3.36Å; C118-C121 PolarHBondContact O-N 3.04Å; C121-L124 PolarHBondContact O-N 3.05Å; C121-S125 PolarHBondContact O-N 2.75Å |
| 122 | L | 95.4 | Very high | 94.5 | Very high | 86 Ų | 86 | 85.5 Ų | 85.5 | 45% | 0.45 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 174.5 | 179.3 | 66.1 | 0 | 0 | 0 | 111.4 | C118 M119 W120 L124 S125 I126 | C118-L122 PolarHBondContact O-N 2.57Å; M119-L122 HydrophobicContact CE-CD2 4.44Å; M119-L122 WeakPolarHBondContact O-CB 3.47Å; M119-L122 PolarHBondContact O-N 3.42Å; M119-L122 HydrophobicContact SD-CD2 4.22Å; W120-L122 VanDerWaalsContact C-N 3.29Å; W120-L122 PolarHBondContact O-N 3.23Å; L122-L124 VanDerWaalsContact C-N 3.27Å; L122-L124 PolarHBondContact O-N 3.19Å; L122-S125 PolarHBondContact O-N 3.04Å; L122-S125 PolarHBondContact O-OG 2.85Å; L122-I126 HydrophobicContact CD1-CD1 4.18Å; L122-I126 HydrophobicContact CG-CD1 4.11Å; L122-I126 PolarHBondContact O-N 3.14Å |
| 123 | M | 94.6 | Very high | 94.2 | Very high | 125 Ų | 125 | 89.7 Ų | 89.7 | 62% | 0.616 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.7 | -31 | 178.9 | -68.9 | -58.4 | -63 | 0 | 0 | 113 | M119 W120 S125 I126 | M119-M123 WeakPolarHBondContact O-CG 3.44Å; M119-M123 PolarHBondContact O-N 2.88Å; W120-M123 PolarHBondContact O-N 3.29Å; W120-M123 VanDerWaalsContact O-N 3.14Å; M123-S125 VanDerWaalsContact C-N 3.3Å; M123-I126 PolarHBondContact O-N 3.43Å |
| 124 | L | 93.5 | Very high | 93.7 | Very high | 127 Ų | 127 | 88.9 Ų | 88.9 | 67% | 0.665 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69.6 | -26.5 | 173.1 | -67.6 | 177.8 | 0 | 0 | 0 | 113.2 | W120 C121 L122 I126 | W120-L124 WeakPolarHBondContact O-CG 3.21Å; W120-L124 PolarHBondContact O-N 3.43Å; C121-L124 PolarHBondContact O-N 3.05Å; L122-L124 VanDerWaalsContact C-N 3.27Å; L122-L124 PolarHBondContact O-N 3.19Å; L124-I126 VanDerWaalsContact C-N 3.33Å |
| 125 | S | 92.9 | Very high | 93.2 | Very high | 87 Ų | 87 | 89.7 Ų | 89.7 | 61% | 0.608 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -80.8 | -12.8 | 179.5 | 73.1 | 0 | 0 | 0 | 0 | 114 | C121 L122 M123 | C121-S125 PolarHBondContact O-N 2.75Å; L122-S125 PolarHBondContact O-N 3.04Å; L122-S125 PolarHBondContact O-OG 2.85Å; M123-S125 VanDerWaalsContact C-N 3.3Å |
| 126 | I | 92.8 | Very high | 92.7 | Very high | 70 Ų | 70 | 95.3 Ų | 95.3 | 36% | 0.359 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -104.6 | 128.7 | -175.4 | -62.3 | 168.1 | 0 | 0 | 0 | 109.4 | L122 M123 L124 | L122-I126 HydrophobicContact CD1-CD1 4.18Å; L122-I126 HydrophobicContact CG-CD1 4.11Å; L122-I126 PolarHBondContact O-N 3.14Å; M123-I126 PolarHBondContact O-N 3.43Å; L124-I126 VanDerWaalsContact C-N 3.33Å |
| 127 | S | 89.6 | Confident | 92.1 | Very high | 33 Ų | 33 | 97.1 Ų | 97.1 | 23% | 0.231 | 51% | 0.511 | C | S | . | . | trans | -74.2 | 143.9 | 172.5 | 90.3 | 0 | 0 | 0 | 0 | 110.6 | Y129 H130 | S127-Y129 VanDerWaalsContact C-N 3.26Å; S127-Y129 PolarHBondContact O-N 3.23Å; S127-H130 PolarHBondContact OG-CD2 2.85Å; S127-H130 PolarHBondContact OG-CE1 2.77Å; S127-H130 VanDerWaalsContact OG-CG 3.3Å; S127-H130 PolarHBondContact OG-N 3.11Å; S127-H130 VanDerWaalsContact OG-N 3.17Å; S127-H130 PolarHBondContact OG-ND1 2.83Å; S127-H130 PolarHBondContact OG-NE2 3.29Å; S127-H130 PolarHBondContact OG-O 2.93Å | ||
| 128 | P | 90.1 | Very high | 91.6 | Very high | 88 Ų | 88 | 98.7 Ų | 98.7 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -74.2 | -19.3 | 174.8 | 29.7 | -33.8 | 0 | 0 | 0 | 112.3 | L291 | P128-L291 HydrophobicContact CB-CD1 3.93Å; P128-L291 WeakPolarHBondContact O-CD1 3.2Å |
| 129 | Y | 89.3 | Confident | 91.1 | Very high | 70 Ų | 70 | 96 Ų | 96 | 28% | 0.275 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -95.9 | -24.2 | -166.7 | -58.7 | -60 | 0 | 0 | 0 | 114.7 | S127 E203 L245 R292 | S127-Y129 VanDerWaalsContact C-N 3.26Å; S127-Y129 PolarHBondContact O-N 3.23Å; Y129-E203 HydrophobicContact CD2-CG 3.88Å; Y129-E203 HydrophobicContact CG-CG 4.26Å; Y129-L245 VanDerWaalsContact O-CD1 3.26Å; Y129-L245 WeakPolarHBondContact O-CD1 3.17Å; Y129-R292 HydrophobicContact CD1-CG 3.57Å; Y129-R292 HydrophobicContact CE1-CG 4Å; Y129-R292 HydrophobicContact CG-CG 4.47Å; Y129-R292 PolarHBondContact O-NH2 2.89Å |
| 130 | H | 88.9 | Confident | 90.8 | Very high | 84 Ų | 84 | 92.2 Ų | 92.2 | 39% | 0.389 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -143.2 | 135.5 | 178.6 | 62.8 | -93.6 | 0 | 0 | 0 | 110.7 | S127 E203 L245 | S127-H130 PolarHBondContact OG-CD2 2.85Å; S127-H130 PolarHBondContact OG-CE1 2.77Å; S127-H130 VanDerWaalsContact OG-CG 3.3Å; S127-H130 PolarHBondContact OG-N 3.11Å; S127-H130 VanDerWaalsContact OG-N 3.17Å; S127-H130 PolarHBondContact OG-ND1 2.83Å; S127-H130 PolarHBondContact OG-NE2 3.29Å; S127-H130 PolarHBondContact OG-O 2.93Å; H130-E203 IonicContact CE1-OE1 2.63Å; H130-E203 IonicContact ND1-OE1 3.38Å; H130-E203 PolarHBondContact ND1-OE1 2.81Å; H130-E203 VanDerWaalsContact ND1-OE1 3.09Å; H130-L245 HydrophobicContact CB-CD2 4.13Å |
| 131 | P | 92 | Very high | 90.6 | Very high | 57 Ų | 57 | 84 Ų | 84 | 37% | 0.37 | 44% | 0.444 | S | S | . | . | trans | -69.1 | 143.4 | 172.8 | 30.4 | -35.9 | 0 | 0 | 0 | 110.5 | H133 N134 | P131-H133 VanDerWaalsContact C-N 3.31Å; P131-H133 PolarHBondContact O-N 3.27Å; P131-N134 WeakPolarHBondContact CG-OD1 3.4Å | ||
| 132 | T | 90.6 | Very high | 90.3 | Very high | 94 Ų | 94 | 80.1 Ų | 80.1 | 58% | 0.577 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -64.5 | -34.1 | 178.5 | -44.6 | 0 | 0 | 0 | 0 | 112.7 | ||
| 133 | H | 90.2 | Very high | 90.2 | Very high | 150 Ų | 150 | 77.8 Ų | 77.8 | 69% | 0.694 | 41% | 0.407 | S | S | * | . | trans | -133.1 | 129.9 | -178.5 | -62.1 | -68.5 | 0 | 0 | 0 | 111.4 | P131 | P131-H133 VanDerWaalsContact C-N 3.31Å; P131-H133 PolarHBondContact O-N 3.27Å | ||
| 134 | N | 87.8 | Confident | 90.1 | Very high | 44 Ų | 44 | 71.8 Ų | 71.8 | 24% | 0.235 | 38% | 0.377 | C | S | . | . | trans | -117.1 | 2.4 | 179.3 | -76.7 | -43.1 | 0 | 0 | 0 | 113.9 | P131 R136 V137 M138 | P131-N134 WeakPolarHBondContact CG-OD1 3.4Å; N134-R136 PolarHBondContact O-N 3.08Å; N134-R136 VanDerWaalsContact O-N 3.14Å; N134-V137 HydrophobicContact CB-CG2 4.17Å; N134-V137 WeakPolarHBondContact O-CG2 3.47Å; N134-V137 PolarHBondContact O-N 3.48Å; N134-V137 VanDerWaalsContact O-N 3.11Å; N134-M138 HydrophobicContact CB-CE 4.33Å; N134-M138 PolarHBondContact O-N 3.37Å | ||
| 135 | D | 87.4 | Confident | 90.1 | Very high | 119 Ų | 119 | 66.3 Ų | 66.3 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -25.6 | -169.4 | -51.3 | -44.6 | 0 | 0 | 0 | 113.4 | ||
| 136 | R | 87.6 | Confident | 90.1 | Very high | 251 Ų | 251 | 62.3 Ų | 62.3 | 95% | 0.947 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -14.3 | 179.6 | -63.5 | -165.1 | -179.1 | -178.9 | 1.9 | 114.4 | N134 | N134-R136 PolarHBondContact O-N 3.08Å; N134-R136 VanDerWaalsContact O-N 3.14Å |
| 137 | V | 86.8 | Confident | 89.9 | Confident | 76 Ų | 76 | 61.8 Ų | 61.8 | 46% | 0.461 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -11.8 | -177.8 | -62.4 | 0 | 0 | 0 | 0 | 112.9 | N134 P139 I244 | N134-V137 HydrophobicContact CB-CG2 4.17Å; N134-V137 WeakPolarHBondContact O-CG2 3.47Å; N134-V137 PolarHBondContact O-N 3.48Å; N134-V137 VanDerWaalsContact O-N 3.11Å; V137-P139 CarbonylContact O-C 3.36Å; V137-I244 HydrophobicContact CG2-CG2 3.95Å; V137-I244 WeakPolarHBondContact O-CD1 3.31Å |
| 138 | M | 85.4 | Confident | 89.7 | Confident | 89 Ų | 89 | 62.3 Ų | 62.3 | 44% | 0.438 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -94.7 | 139 | 174.3 | -65.9 | -172.2 | -65.8 | 0 | 0 | 110.1 | N134 I244 Y247 | N134-M138 HydrophobicContact CB-CE 4.33Å; N134-M138 PolarHBondContact O-N 3.37Å; M138-I244 HydrophobicContact CG-CD1 4.43Å; M138-Y247 HydrophobicContact SD-CD2 4.44Å |
| 139 | P | 87.3 | Confident | 89.2 | Confident | 23 Ų | 23 | 64.8 Ų | 64.8 | 15% | 0.149 | 33% | 0.326 | C | S | . | . | S | Bend | cis | -77.1 | 165.4 | -3.8 | 33.9 | -39.4 | 0 | 0 | 0 | 113.7 | V137 I326 L335 | V137-P139 CarbonylContact O-C 3.36Å; P139-I326 HydrophobicContact CG-CB 3.98Å; P139-I326 HydrophobicContact CG-CD1 3.99Å; P139-I326 HydrophobicContact CG-CG1 4.11Å; P139-L335 HydrophobicContact CG-CD1 4.22Å; P139-L335 HydrophobicContact CG-CD2 3.38Å; P139-L335 HydrophobicContact CG-CG 3.91Å |
| 140 | P | 91.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 137.4 | -177.2 | 28.7 | -38 | 0 | 0 | 0 | 113.1 | M241 I244 Y247 G336 | P140-M241 HydrophobicContact CB-CG 3.86Å; P140-M241 HydrophobicContact CB-SD 4.05Å; P140-M241 HydrophobicContact CG-CG 4.29Å; P140-M241 HydrophobicContact CG-SD 3.8Å; P140-I244 HydrophobicContact CB-CD1 3.78Å; P140-Y247 HydrophobicContact CB-CE1 4.35Å; P140-Y247 VanDerWaalsContact CD-CZ 3.4Å; P140-Y247 VanDerWaalsContact CD-OH 3.26Å; P140-Y247 WeakPolarHBondContact CD-OH 3.05Å; P140-Y247 HydrophobicContact CG-CD1 4.42Å; P140-Y247 HydrophobicContact CG-CE1 3.57Å; P140-G336 PolarHBondContact O-N 2.82Å; P140-G336 VanDerWaalsContact O-N 3.13Å |
| 141 | G | 92.1 | Very high | 88.4 | Confident | 9 Ų | 9 | 66 Ų | 66 | 9% | 0.093 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -77.1 | 168.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N242 F334 | G141-N242 WeakPolarHBondContact O-CB 3.11Å; G141-N242 PolarHBondContact O-N 3.26Å; G141-F334 CarbonylContact C-O 3.43Å; G141-F334 WeakPolarHBondContact CA-O 3.23Å |
| 142 | M | 91.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136 | 176.1 | -170.3 | 176.4 | -171.6 | 0 | 0 | 109.9 | L239 V257 C318 L320 F334 V338 | M142-L239 HydrophobicContact CE-CB 3.54Å; M142-L239 HydrophobicContact CE-CD1 3.54Å; M142-L239 HydrophobicContact CE-CD2 3.97Å; M142-L239 HydrophobicContact CE-CG 3.86Å; M142-V257 HydrophobicContact CE-CG1 3.68Å; M142-C318 HydrophobicContact CE-CB 4.15Å; M142-C318 HydrophobicContact SD-CB 4.37Å; M142-L320 HydrophobicContact CB-CD1 4.16Å; M142-L320 HydrophobicContact CB-CG 4.32Å; M142-L320 HydrophobicContact CE-CD2 3.89Å; M142-L320 HydrophobicContact CG-CD1 4.47Å; M142-L320 HydrophobicContact CG-CD2 4.32Å; M142-L320 HydrophobicContact CG-CG 4.31Å; M142-L320 HydrophobicContact SD-CD2 3.7Å; M142-L320 HydrophobicContact SD-CG 3.75Å; M142-F334 PolarHBondContact N-O 2.81Å; M142-V338 HydrophobicContact CB-CB 4.43Å; M142-V338 HydrophobicContact CE-CG1 4.41Å; M142-V338 HydrophobicContact CG-CB 4.39Å; M142-V338 HydrophobicContact CG-CG1 3.99Å; M142-V338 HydrophobicContact SD-CG1 3.92Å |
| 143 | T | 92.4 | Very high | 88.3 | Confident | 37 Ų | 37 | 65.9 Ų | 65.9 | 23% | 0.227 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 147.4 | 176.5 | 49.7 | 0 | 0 | 0 | 0 | 109.9 | R240 N242 | T143-R240 PolarHBondContact N-O 3.2Å; T143-R240 PolarHBondContact O-N 3.36Å; T143-R240 PolarHBondContact OG1-O 3.02Å; T143-N242 VanDerWaalsContact CG2-OD1 3.32Å; T143-N242 WeakPolarHBondContact CG2-OD1 3.47Å |
| 144 | M | 93.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 158.3 | 174.6 | 75.2 | 80.3 | 167.9 | 0 | 0 | 110.4 | Q147 Y152 I154 I237 L238 L239 V338 F340 | M144-Q147 HydrophobicContact CE-CG 3.91Å; M144-Q147 WeakPolarHBondContact O-CG 3.45Å; M144-Q147 PolarHBondContact O-NE2 2.87Å; M144-Q147 HydrophobicContact SD-CG 3.93Å; M144-Y152 HydrophobicContact CE-CD1 3.48Å; M144-Y152 VanDerWaalsContact CE-CD1 3.48Å; M144-Y152 HydrophobicContact CE-CE1 4.35Å; M144-Y152 HydrophobicContact CE-CG 4.03Å; M144-Y152 HydrophobicContact CG-CD1 3.66Å; M144-Y152 HydrophobicContact CG-CE1 3.89Å; M144-Y152 HydrophobicContact SD-CD1 4.29Å; M144-I154 HydrophobicContact CE-CD1 4.19Å; M144-I154 HydrophobicContact CE-CG1 4.36Å; M144-I154 HydrophobicContact SD-CD1 4.47Å; M144-I237 HydrophobicContact CB-CG2 4.07Å; M144-I237 HydrophobicContact SD-CG2 4.38Å; M144-L238 CarbonylContact C-O 3.34Å; M144-L238 VanDerWaalsContact CA-O 3.24Å; M144-L238 WeakPolarHBondContact CA-O 3.28Å; M144-L239 HydrophobicContact CB-CD2 3.78Å; M144-V338 HydrophobicContact CB-CG1 4.16Å; M144-V338 HydrophobicContact CB-CG2 4.02Å; M144-V338 HydrophobicContact CG-CG2 3.8Å; M144-F340 HydrophobicContact CB-CD1 4.48Å; M144-F340 HydrophobicContact CE-CB 3.86Å; M144-F340 HydrophobicContact CE-CG 4.36Å; M144-F340 HydrophobicContact CG-CD1 4.1Å; M144-F340 HydrophobicContact CG-CG 4.49Å |
| 145 | S | 93 | Very high | 88.6 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 142 | 172.6 | -46.1 | 0 | 0 | 0 | 0 | 109.2 | Q174 I237 L238 | S145-Q174 VanDerWaalsContact CB-NE2 3.35Å; S145-Q174 PolarHBondContact OG-NE2 3.43Å; S145-Q174 PolarHBondContact OG-OE1 3.38Å; S145-I237 WeakPolarHBondContact O-CG2 3.24Å; S145-L238 PolarHBondContact N-O 3.17Å; S145-L238 PolarHBondContact O-N 3.36Å |
| 146 | P | 92.7 | Very high | 88.8 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | cis | -87.8 | 146.2 | 12.3 | 30.7 | -26.4 | 0 | 0 | 0 | 114.1 | Y167 L170 M171 F230 | P146-Y167 HydrophobicContact CB-CD1 4.09Å; P146-Y167 HydrophobicContact CG-CD1 3.81Å; P146-Y167 HydrophobicContact CG-CG 4.15Å; P146-L170 HydrophobicContact CB-CB 4.12Å; P146-L170 HydrophobicContact CB-CD1 4.37Å; P146-M171 HydrophobicContact CB-CG 4.06Å; P146-M171 HydrophobicContact CB-SD 4.41Å; P146-M171 HydrophobicContact CG-CG 3.92Å; P146-M171 HydrophobicContact CG-SD 4.2Å; P146-F230 HydrophobicContact CG-CZ 3.98Å | ||
| 147 | Q | 88.6 | Confident | 89.1 | Confident | 59 Ų | 59 | 44.1 Ų | 44.1 | 28% | 0.276 | 25% | 0.247 | S | C | . | . | trans | -115.1 | 125.6 | 171.9 | -62.1 | 177.2 | 21.5 | 0 | 0 | 108.9 | M144 Y152 | M144-Q147 HydrophobicContact CE-CG 3.91Å; M144-Q147 WeakPolarHBondContact O-CG 3.45Å; M144-Q147 PolarHBondContact O-NE2 2.87Å; M144-Q147 HydrophobicContact SD-CG 3.93Å; Q147-Y152 VanDerWaalsContact CD-CE1 3.49Å; Q147-Y152 VanDerWaalsContact CD-CZ 3.49Å; Q147-Y152 HydrophobicContact CG-CD1 4.38Å; Q147-Y152 HydrophobicContact CG-CE1 4.12Å; Q147-Y152 VanDerWaalsContact NE2-CZ 3.35Å; Q147-Y152 PolarHBondContact NE2-OH 3.08Å; Q147-Y152 VanDerWaalsContact NE2-OH 3.15Å; Q147-Y152 PolarHBondContact OE1-OH 2.74Å | ||
| 148 | L | 85.8 | Confident | 89.3 | Confident | 45 Ų | 45 | 41 Ų | 41 | 24% | 0.236 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -100.6 | 123.4 | 177 | -167.9 | 67.8 | 0 | 0 | 0 | 109.1 | G150 H151 K166 Y167 L170 | L148-G150 PolarHBondContact O-N 2.86Å; L148-H151 PolarHBondContact O-N 3.04Å; L148-K166 HydrophobicContact CD1-CB 4.39Å; L148-K166 HydrophobicContact CD1-CD 4.38Å; L148-K166 HydrophobicContact CD2-CD 4.43Å; L148-Y167 HydrophobicContact CB-CE1 3.86Å; L148-Y167 HydrophobicContact CD2-CE1 4.27Å; L148-L170 HydrophobicContact CD1-CD1 4.21Å |
| 149 | D | 80.1 | Confident | 89.5 | Confident | 140 Ų | 140 | 41.5 Ų | 41.5 | 75% | 0.749 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 30.1 | 178 | -57.3 | -36.9 | 0 | 0 | 0 | 114.8 | H151 | D149-H151 VanDerWaalsContact C-N 3.25Å; D149-H151 PolarHBondContact O-CD2 3.14Å; D149-H151 PolarHBondContact O-N 3.4Å |
| 150 | G | 76.9 | Confident | 89.8 | Confident | 53 Ų | 53 | 44 Ų | 44 | 55% | 0.546 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 4.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L148 | L148-G150 PolarHBondContact O-N 2.86Š|
| 151 | H | 84.4 | Confident | 89.9 | Confident | 126 Ų | 126 | 51.3 Ų | 51.3 | 58% | 0.583 | 28% | 0.282 | S | S | * | . | B | Isolated β-bridge | trans | -91.6 | 138.6 | 175.5 | -61.7 | -70.8 | 0 | 0 | 0 | 111.3 | L148 D149 E153 | L148-H151 PolarHBondContact O-N 3.04Å; D149-H151 VanDerWaalsContact C-N 3.25Å; D149-H151 PolarHBondContact O-CD2 3.14Å; D149-H151 PolarHBondContact O-N 3.4Å; H151-E153 PolarHBondContact O-N 3.06Å |
| 152 | Y | 87.9 | Confident | 89.9 | Confident | 55 Ų | 55 | 59.1 Ų | 59.1 | 22% | 0.216 | 31% | 0.313 | C | S | . | . | trans | -94.3 | 38.4 | 177.5 | -67.6 | -98.9 | 0 | 0 | 0 | 111.2 | M144 Q147 F334 V338 F340 S341 | M144-Y152 HydrophobicContact CE-CD1 3.48Å; M144-Y152 VanDerWaalsContact CE-CD1 3.48Å; M144-Y152 HydrophobicContact CE-CE1 4.35Å; M144-Y152 HydrophobicContact CE-CG 4.03Å; M144-Y152 HydrophobicContact CG-CD1 3.66Å; M144-Y152 HydrophobicContact CG-CE1 3.89Å; M144-Y152 HydrophobicContact SD-CD1 4.29Å; Q147-Y152 VanDerWaalsContact CD-CE1 3.49Å; Q147-Y152 VanDerWaalsContact CD-CZ 3.49Å; Q147-Y152 HydrophobicContact CG-CD1 4.38Å; Q147-Y152 HydrophobicContact CG-CE1 4.12Å; Q147-Y152 VanDerWaalsContact NE2-CZ 3.35Å; Q147-Y152 PolarHBondContact NE2-OH 3.08Å; Q147-Y152 VanDerWaalsContact NE2-OH 3.15Å; Q147-Y152 PolarHBondContact OE1-OH 2.74Å; Y152-F334 AromaticContact CD1-CE1 3.91Å; Y152-F334 HydrophobicContact CD1-CE1 3.91Å; Y152-F334 HydrophobicContact CD1-CZ 4.5Å; Y152-F334 AromaticContact CD2-CE1 3.97Å; Y152-F334 HydrophobicContact CD2-CE1 3.97Å; Y152-F334 AromaticContact CD2-CZ 3.72Å; Y152-F334 HydrophobicContact CD2-CZ 3.72Å; Y152-F334 HydrophobicContact CE1-CD1 4.28Å; Y152-F334 AromaticContact CE1-CE1 3.51Å; Y152-F334 HydrophobicContact CE1-CE1 3.51Å; Y152-F334 HydrophobicContact CE1-CZ 4.19Å; Y152-F334 AromaticContact CE2-CE1 3.58Å; Y152-F334 HydrophobicContact CE2-CE1 3.58Å; Y152-F334 HydrophobicContact CE2-CE2 4.33Å; Y152-F334 AromaticContact CE2-CZ 3.34Å; Y152-F334 HydrophobicContact CE2-CZ 3.34Å; Y152-F334 HydrophobicContact CG-CE1 4.13Å; Y152-F334 HydrophobicContact CG-CZ 4.3Å; Y152-F334 AromaticContact CZ-CE1 3.34Å; Y152-F334 AromaticContact CZ-CZ 3.61Å; Y152-V338 HydrophobicContact CD1-CG2 3.99Å; Y152-V338 HydrophobicContact CE1-CG2 3.93Å; Y152-F340 CarbonylContact O-C 3.6Å; Y152-F340 WeakPolarHBondContact O-CA 3.38Å; Y152-F340 WeakPolarHBondContact O-CB 3.26Å; Y152-S341 PolarHBondContact O-N 3.4Å | ||
| 153 | E | 90.9 | Very high | 89.9 | Confident | 94 Ų | 94 | 60.5 Ų | 60.5 | 44% | 0.439 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 120.2 | -179.1 | 177 | 166.9 | -152.2 | 0 | 0 | 108.1 | H151 S341 | H151-E153 PolarHBondContact O-N 3.06Å; E153-S341 WeakPolarHBondContact CA-OG 3.15Å; E153-S341 WeakPolarHBondContact CB-OG 3.34Å; E153-S341 WeakPolarHBondContact CG-OG 3.06Å |
| 154 | I | 92.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 89.1 | -177.1 | -57 | 179.6 | 0 | 0 | 0 | 106.8 | M144 F156 F230 I237 F340 S341 F342 D343 | M144-I154 HydrophobicContact CE-CD1 4.19Å; M144-I154 HydrophobicContact CE-CG1 4.36Å; M144-I154 HydrophobicContact SD-CD1 4.47Å; I154-F156 HydrophobicContact CG2-CD1 3.81Å; I154-F156 HydrophobicContact CG2-CE1 3.98Å; I154-F230 HydrophobicContact CG2-CE1 4.22Å; I154-I237 HydrophobicContact CD1-CD1 3.3Å; I154-I237 HydrophobicContact CD1-CG1 4.29Å; I154-F340 HydrophobicContact CD1-CD2 4.25Å; I154-S341 PolarHBondContact N-O 2.93Å; I154-F342 HydrophobicContact CB-CD1 3.8Å; I154-F342 HydrophobicContact CB-CE1 4Å; I154-F342 HydrophobicContact CD1-CE1 3.93Å; I154-F342 HydrophobicContact CD1-CZ 4.5Å; I154-F342 HydrophobicContact CG2-CD1 3.95Å; I154-F342 HydrophobicContact CG2-CE1 3.95Å; I154-F342 WeakPolarHBondContact O-CA 3.47Å; I154-D343 PolarHBondContact O-N 3.01Å |
| 155 | A | 92.5 | Very high | 89.9 | Confident | 43 Ų | 43 | 65.5 Ų | 65.5 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y167 D343 | A155-Y167 PolarHBondContact N-OH 3Å; A155-Y167 WeakPolarHBondContact O-CE2 3.4Å; A155-Y167 PolarHBondContact O-OH 2.72Å; A155-D343 VanDerWaalsContact CA-O 3.26Å; A155-D343 WeakPolarHBondContact CA-O 3.46Å; A155-D343 HydrophobicContact CB-CB 4.09Å |
| 156 | F | 92.5 | Very high | 89.9 | Confident | 10 Ų | 10 | 71 Ų | 71 | 4% | 0.044 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 157.9 | 174.1 | 69.5 | -83.9 | 0 | 0 | 0 | 111.6 | I154 W164 Y167 F230 P235 D343 V344 G345 | I154-F156 HydrophobicContact CG2-CD1 3.81Å; I154-F156 HydrophobicContact CG2-CE1 3.98Å; F156-W164 HydrophobicContact CB-CB 4.17Å; F156-W164 HydrophobicContact CD2-CB 4.17Å; F156-W164 HydrophobicContact CG-CB 4.34Å; F156-Y167 HydrophobicContact CB-CD2 4.37Å; F156-Y167 HydrophobicContact CB-CE2 4.01Å; F156-F230 AromaticContact CD1-CD1 3.86Å; F156-F230 HydrophobicContact CD1-CD1 3.86Å; F156-F230 HydrophobicContact CD1-CE1 4.07Å; F156-F230 HydrophobicContact CD2-CD1 4.14Å; F156-F230 AromaticContact CE1-CD1 3.64Å; F156-F230 HydrophobicContact CE1-CD1 3.64Å; F156-F230 AromaticContact CE1-CE1 3.86Å; F156-F230 HydrophobicContact CE1-CE1 3.86Å; F156-F230 HydrophobicContact CE2-CB 4.37Å; F156-F230 AromaticContact CE2-CD1 3.94Å; F156-F230 HydrophobicContact CE2-CD1 3.94Å; F156-F230 WeakPolarHBondContact CE2-O 3.16Å; F156-F230 HydrophobicContact CG-CD1 4.11Å; F156-F230 AromaticContact CZ-CD1 3.69Å; F156-F230 HydrophobicContact CZ-CD1 3.69Å; F156-F230 HydrophobicContact CZ-CE1 4.32Å; F156-P235 HydrophobicContact CE1-CB 4.02Å; F156-P235 HydrophobicContact CE1-CG 4.02Å; F156-P235 HydrophobicContact CZ-CB 3.93Å; F156-P235 HydrophobicContact CZ-CG 3.9Å; F156-D343 PolarHBondContact N-O 3.38Å; F156-V344 HydrophobicContact CD1-CG2 4.23Å; F156-V344 HydrophobicContact CE1-CG1 4.39Å; F156-V344 HydrophobicContact CE1-CG2 3.57Å; F156-V344 HydrophobicContact CE2-CG1 3.9Å; F156-V344 HydrophobicContact CZ-CB 4.44Å; F156-V344 HydrophobicContact CZ-CG1 3.8Å; F156-V344 HydrophobicContact CZ-CG2 3.76Å; F156-V344 CarbonylContact O-C 3.34Å; F156-V344 WeakPolarHBondContact O-CA 3.39Å; F156-G345 PolarHBondContact O-N 3.23Å |
| 157 | N | 93.2 | Very high | 89.9 | Confident | 53 Ų | 53 | 71.4 Ų | 71.4 | 28% | 0.283 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 127.4 | 172 | 177.3 | -54.9 | 0 | 0 | 0 | 108.2 | S159 D160 S163 G345 A346 | N157-S159 VanDerWaalsContact C-N 3.32Å; N157-S159 PolarHBondContact O-N 3.4Å; N157-S159 WeakPolarHBondContact OD1-CA 3.45Å; N157-S159 VanDerWaalsContact OD1-CB 3.28Å; N157-S159 WeakPolarHBondContact OD1-CB 3.49Å; N157-S159 PolarHBondContact OD1-N 3.47Å; N157-D160 HydrophobicContact CB-CB 4.23Å; N157-D160 PolarHBondContact O-N 2.79Å; N157-D160 PolarHBondContact OD1-N 3.26Å; N157-S163 PolarHBondContact N-OG 2.83Å; N157-S163 PolarHBondContact O-OG 2.69Å; N157-G345 WeakPolarHBondContact CA-O 3.45Å; N157-A346 VanDerWaalsContact CG-O 3.31Å; N157-A346 PolarHBondContact ND2-O 2.99Å; N157-A346 PolarHBondContact OD1-O 3.42Å; N157-A346 PolarHBondContact OD1-OXT 3.31Å |
| 158 | A | 90.4 | Very high | 90.2 | Very high | 11 Ų | 11 | 69 Ų | 69 | 9% | 0.091 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -62.2 | -40.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W164 Y310 G345 | A158-W164 PolarHBondContact O-NE1 3.26Å; A158-Y310 HydrophobicContact CB-CE1 4.16Å; A158-G345 PolarHBondContact N-O 3.12Å |
| 159 | S | 90.4 | Very high | 90.5 | Very high | 99 Ų | 99 | 73.6 Ų | 73.6 | 69% | 0.692 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -67.4 | -35.5 | 176.4 | -64.2 | 0 | 0 | 0 | 0 | 113.5 | N157 R161 A346 | N157-S159 VanDerWaalsContact C-N 3.32Å; N157-S159 PolarHBondContact O-N 3.4Å; N157-S159 WeakPolarHBondContact OD1-CA 3.45Å; N157-S159 VanDerWaalsContact OD1-CB 3.28Å; N157-S159 WeakPolarHBondContact OD1-CB 3.49Å; N157-S159 PolarHBondContact OD1-N 3.47Å; S159-R161 PolarHBondContact O-N 3.12Å; S159-A346 VanDerWaalsContact CB-OXT 3.28Å; S159-A346 WeakPolarHBondContact CB-OXT 3.29Å; S159-A346 PolarHBondContact N-OXT 2.94Å; S159-A346 PolarHBondContact OG-OXT 3.42Å |
| 160 | D | 93.7 | Very high | 91.2 | Very high | 74 Ų | 74 | 69.8 Ų | 69.8 | 40% | 0.396 | 35% | 0.352 | S | S | . | . | trans | -87.5 | 105.3 | 179.7 | -178.6 | 23.8 | 0 | 0 | 0 | 113.3 | N157 K162 S163 W164 | N157-D160 HydrophobicContact CB-CB 4.23Å; N157-D160 PolarHBondContact O-N 2.79Å; N157-D160 PolarHBondContact OD1-N 3.26Å; D160-K162 PolarHBondContact O-N 2.88Å; D160-K162 PolarHBondContact OD1-N 2.56Å; D160-S163 WeakPolarHBondContact O-CB 2.95Å; D160-S163 PolarHBondContact O-N 2.87Å; D160-S163 VanDerWaalsContact O-N 3.17Å; D160-S163 PolarHBondContact O-OG 2.94Å; D160-S163 PolarHBondContact OD2-N 2.79Å; D160-W164 PolarHBondContact O-NE1 2.62Å | ||
| 161 | R | 93 | Very high | 92 | Very high | 155 Ų | 155 | 67.2 Ų | 67.2 | 59% | 0.585 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -54.6 | -33.7 | 173.9 | -176.4 | 172.7 | -174 | -170.5 | 4.6 | 114.2 | S159 S163 W164 K165 | S159-R161 PolarHBondContact O-N 3.12Å; R161-S163 VanDerWaalsContact C-N 3.3Å; R161-S163 PolarHBondContact O-N 3.17Å; R161-W164 HydrophobicContact CB-CZ2 3.95Å; R161-W164 HydrophobicContact CG-CH2 3.82Å; R161-W164 HydrophobicContact CG-CZ2 3.71Å; R161-K165 WeakPolarHBondContact O-CB 3.24Å; R161-K165 PolarHBondContact O-N 2.77Å |
| 162 | K | 92.1 | Very high | 92.4 | Very high | 173 Ų | 173 | 64.1 Ų | 64.1 | 75% | 0.752 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -69.8 | -32.3 | -176.8 | -69.2 | 179.3 | -178.1 | 173.5 | 0 | 111.7 | D160 | D160-K162 PolarHBondContact O-N 2.88Å; D160-K162 PolarHBondContact OD1-N 2.56Å |
| 163 | S | 91.7 | Very high | 92.7 | Very high | 28 Ų | 28 | 66.3 Ų | 66.3 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.8 | -53.2 | 179.4 | 77.6 | 0 | 0 | 0 | 0 | 111.5 | N157 D160 R161 | N157-S163 PolarHBondContact N-OG 2.83Å; N157-S163 PolarHBondContact O-OG 2.69Å; D160-S163 WeakPolarHBondContact O-CB 2.95Å; D160-S163 PolarHBondContact O-N 2.87Å; D160-S163 VanDerWaalsContact O-N 3.17Å; D160-S163 PolarHBondContact O-OG 2.94Å; D160-S163 PolarHBondContact OD2-N 2.79Å; R161-S163 VanDerWaalsContact C-N 3.3Å; R161-S163 PolarHBondContact O-N 3.17Å |
| 164 | W | 92 | Very high | 92.8 | Very high | 17 Ų | 17 | 64.2 Ų | 64.2 | 6% | 0.064 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -90.8 | -16.8 | -172.1 | 56.4 | -105.9 | 0 | 0 | 0 | 115.7 | F156 A158 D160 R161 K166 Y167 A168 H227 F230 | F156-W164 HydrophobicContact CB-CB 4.17Å; F156-W164 HydrophobicContact CD2-CB 4.17Å; F156-W164 HydrophobicContact CG-CB 4.34Å; A158-W164 PolarHBondContact O-NE1 3.26Å; D160-W164 PolarHBondContact O-NE1 2.62Å; R161-W164 HydrophobicContact CB-CZ2 3.95Å; R161-W164 HydrophobicContact CG-CH2 3.82Å; R161-W164 HydrophobicContact CG-CZ2 3.71Å; W164-K166 PolarHBondContact O-N 2.93Å; W164-K166 VanDerWaalsContact O-N 3.1Å; W164-Y167 HydrophobicContact CB-CD2 4.5Å; W164-Y167 PolarHBondContact O-N 3.15Å; W164-A168 HydrophobicContact CE3-CB 4.32Å; W164-A168 PolarHBondContact O-N 3.26Å; W164-H227 HydrophobicContact CE3-CB 4.45Å; W164-H227 HydrophobicContact CH2-CB 4.12Å; W164-H227 AromaticContact CH2-CD2 3.27Å; W164-H227 WeakPolarHBondContact CH2-CD2 3.44Å; W164-H227 AromaticContact CH2-CG 3.83Å; W164-H227 HydrophobicContact CZ3-CB 3.88Å; W164-H227 AromaticContact CZ3-CD2 3.46Å; W164-H227 VanDerWaalsContact CZ3-CD2 3.46Å; W164-H227 WeakPolarHBondContact CZ3-CD2 3.34Å; W164-H227 AromaticContact CZ3-CG 3.96Å; W164-F230 HydrophobicContact CB-CB 3.64Å; W164-F230 HydrophobicContact CB-CD1 4.19Å; W164-F230 HydrophobicContact CB-CG 4.05Å; W164-F230 HydrophobicContact CD2-CB 4.15Å; W164-F230 HydrophobicContact CE3-CB 4.36Å; W164-F230 HydrophobicContact CG-CB 3.85Å |
| 165 | K | 93.8 | Very high | 92.9 | Very high | 126 Ų | 126 | 64.2 Ų | 64.2 | 55% | 0.548 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.6 | -31.9 | 179.2 | 179.5 | 178.8 | -179.3 | -176.8 | 0 | 112.8 | R161 K169 | R161-K165 WeakPolarHBondContact O-CB 3.24Å; R161-K165 PolarHBondContact O-N 2.77Å; K165-K169 WeakPolarHBondContact O-CB 3.03Å; K165-K169 PolarHBondContact O-N 3.17Å |
| 166 | K | 93.1 | Very high | 92.9 | Very high | 127 Ų | 127 | 68.2 Ų | 68.2 | 55% | 0.552 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.3 | -48.3 | 176 | -66.9 | 179.9 | -178.4 | 179.5 | 0 | 111.3 | L148 W164 K169 L170 | L148-K166 HydrophobicContact CD1-CB 4.39Å; L148-K166 HydrophobicContact CD1-CD 4.38Å; L148-K166 HydrophobicContact CD2-CD 4.43Å; W164-K166 PolarHBondContact O-N 2.93Å; W164-K166 VanDerWaalsContact O-N 3.1Å; K166-K169 PolarHBondContact O-N 2.63Å; K166-L170 WeakPolarHBondContact O-CG 3.07Å; K166-L170 PolarHBondContact O-N 3.31Å; K166-L170 VanDerWaalsContact O-N 3.14Å |
| 167 | Y | 93.2 | Very high | 92.9 | Very high | 11 Ų | 11 | 70.7 Ų | 70.7 | 4% | 0.043 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.9 | -46 | 178 | -60.1 | -62.3 | 0 | 0 | 0 | 111.8 | P146 L148 A155 F156 W164 K169 L170 M171 F230 | P146-Y167 HydrophobicContact CB-CD1 4.09Å; P146-Y167 HydrophobicContact CG-CD1 3.81Å; P146-Y167 HydrophobicContact CG-CG 4.15Å; L148-Y167 HydrophobicContact CB-CE1 3.86Å; L148-Y167 HydrophobicContact CD2-CE1 4.27Å; A155-Y167 PolarHBondContact N-OH 3Å; A155-Y167 WeakPolarHBondContact O-CE2 3.4Å; A155-Y167 PolarHBondContact O-OH 2.72Å; F156-Y167 HydrophobicContact CB-CD2 4.37Å; F156-Y167 HydrophobicContact CB-CE2 4.01Å; W164-Y167 HydrophobicContact CB-CD2 4.5Å; W164-Y167 PolarHBondContact O-N 3.15Å; Y167-K169 VanDerWaalsContact C-N 3.31Å; Y167-K169 PolarHBondContact O-N 2.92Å; Y167-L170 PolarHBondContact O-N 3.02Å; Y167-M171 VanDerWaalsContact O-CG 3.28Å; Y167-M171 WeakPolarHBondContact O-CG 3.46Å; Y167-M171 PolarHBondContact O-N 3.1Å; Y167-F230 HydrophobicContact CD2-CE1 4.28Å; Y167-F230 HydrophobicContact CG-CE1 4.29Å; Y167-F230 HydrophobicContact CG-CZ 4.34Å |
| 168 | A | 93.6 | Very high | 92.9 | Very high | 9 Ų | 9 | 68.3 Ų | 68.3 | 7% | 0.074 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.9 | -39.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | W164 M171 E172 F228 | W164-A168 HydrophobicContact CE3-CB 4.32Å; W164-A168 PolarHBondContact O-N 3.26Å; A168-M171 PolarHBondContact O-N 3.07Å; A168-E172 WeakPolarHBondContact O-CB 3.39Å; A168-E172 PolarHBondContact O-N 3.49Å; A168-F228 HydrophobicContact CB-CD2 4.15Å; A168-F228 WeakPolarHBondContact O-CE2 3.47Å |
| 169 | K | 93.8 | Very high | 93.1 | Very high | 140 Ų | 140 | 70.3 Ų | 70.3 | 61% | 0.609 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.3 | -43.2 | 176.6 | -174.1 | -175.8 | 174.7 | -170 | 0 | 112.2 | K165 K166 Y167 M171 E172 E173 | K165-K169 WeakPolarHBondContact O-CB 3.03Å; K165-K169 PolarHBondContact O-N 3.17Å; K166-K169 PolarHBondContact O-N 2.63Å; Y167-K169 VanDerWaalsContact C-N 3.31Å; Y167-K169 PolarHBondContact O-N 2.92Å; K169-M171 VanDerWaalsContact C-N 3.35Å; K169-E172 PolarHBondContact O-N 3.38Å; K169-E173 WeakPolarHBondContact O-CB 3.47Å; K169-E173 PolarHBondContact O-N 2.94Å |
| 170 | L | 93.3 | Very high | 93.3 | Very high | 60 Ų | 60 | 67.6 Ų | 67.6 | 31% | 0.314 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 177.6 | -70.1 | 170.9 | 0 | 0 | 0 | 111.4 | P146 L148 K166 Y167 E173 Q174 | P146-L170 HydrophobicContact CB-CB 4.12Å; P146-L170 HydrophobicContact CB-CD1 4.37Å; L148-L170 HydrophobicContact CD1-CD1 4.21Å; K166-L170 WeakPolarHBondContact O-CG 3.07Å; K166-L170 PolarHBondContact O-N 3.31Å; K166-L170 VanDerWaalsContact O-N 3.14Å; Y167-L170 PolarHBondContact O-N 3.02Å; L170-E173 PolarHBondContact O-N 3.43Å; L170-Q174 WeakPolarHBondContact O-CB 3.5Å; L170-Q174 PolarHBondContact O-N 3.03Å |
| 171 | M | 93.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 175.3 | -71.5 | -79.9 | -75.8 | 0 | 0 | 111.7 | P146 Y167 A168 K169 E173 Q174 L175 F228 C236 L238 | P146-M171 HydrophobicContact CB-CG 4.06Å; P146-M171 HydrophobicContact CB-SD 4.41Å; P146-M171 HydrophobicContact CG-CG 3.92Å; P146-M171 HydrophobicContact CG-SD 4.2Å; Y167-M171 VanDerWaalsContact O-CG 3.28Å; Y167-M171 WeakPolarHBondContact O-CG 3.46Å; Y167-M171 PolarHBondContact O-N 3.1Å; A168-M171 PolarHBondContact O-N 3.07Å; K169-M171 VanDerWaalsContact C-N 3.35Å; M171-E173 PolarHBondContact O-N 3.17Å; M171-Q174 PolarHBondContact O-N 3.43Å; M171-L175 WeakPolarHBondContact O-CB 3.39Å; M171-L175 WeakPolarHBondContact O-CG 3.48Å; M171-L175 PolarHBondContact O-N 2.98Å; M171-F228 HydrophobicContact CB-CD1 4.28Å; M171-F228 HydrophobicContact CB-CD2 3.85Å; M171-F228 HydrophobicContact CB-CE1 4.19Å; M171-F228 HydrophobicContact CB-CE2 3.74Å; M171-F228 HydrophobicContact CB-CG 4.12Å; M171-F228 HydrophobicContact CB-CZ 3.91Å; M171-F228 HydrophobicContact CE-CB 4.26Å; M171-F228 HydrophobicContact CE-CD1 3.77Å; M171-F228 HydrophobicContact CE-CE1 4.35Å; M171-F228 HydrophobicContact CE-CG 4.09Å; M171-C236 HydrophobicContact CE-CB 4.31Å; M171-C236 VanDerWaalsContact CE-O 3.26Å; M171-C236 WeakPolarHBondContact CE-O 3.36Å; M171-L238 HydrophobicContact CE-CD1 3.92Å; M171-L238 HydrophobicContact CE-CD2 4.1Å; M171-L238 HydrophobicContact CE-CG 3.6Å; M171-L238 HydrophobicContact SD-CD1 3.71Å; M171-L238 HydrophobicContact SD-CG 3.7Å |
| 172 | E | 94.1 | Very high | 93.3 | Very high | 60 Ų | 60 | 63.6 Ų | 63.6 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.2 | -48.6 | 176.4 | -178.2 | 57.9 | -144 | 0 | 0 | 111.4 | A168 K169 Q174 L175 R176 R214 F228 | A168-E172 WeakPolarHBondContact O-CB 3.39Å; A168-E172 PolarHBondContact O-N 3.49Å; K169-E172 PolarHBondContact O-N 3.38Å; E172-Q174 VanDerWaalsContact C-N 3.3Å; E172-Q174 PolarHBondContact O-N 2.98Å; E172-L175 PolarHBondContact O-N 3.22Å; E172-L175 VanDerWaalsContact O-N 3.12Å; E172-R176 WeakPolarHBondContact O-CG 3.27Å; E172-R176 PolarHBondContact O-N 3.18Å; E172-R176 VanDerWaalsContact O-N 3.08Å; E172-R214 IonicContact OE1-CZ 3.54Å; E172-R214 IonicContact OE1-NH1 3.49Å; E172-R214 PolarHBondContact OE1-NH1 2.93Å; E172-R214 IonicContact OE1-NH2 3.09Å; E172-R214 IonicContact OE2-CZ 2.77Å; E172-R214 IonicContact OE2-NH1 3.91Å; E172-R214 PolarHBondContact OE2-NH1 3.39Å; E172-R214 IonicContact OE2-NH2 2.77Å; E172-R214 PolarHBondContact OE2-NH2 2.87Å; E172-F228 HydrophobicContact CB-CE2 4.33Å; E172-F228 HydrophobicContact CB-CZ 4.5Å |
| 173 | E | 93.9 | Very high | 93.4 | Very high | 102 Ų | 102 | 55.7 Ų | 55.7 | 48% | 0.477 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.9 | -40.6 | -179.9 | -177.8 | 162 | -157.8 | 0 | 0 | 112.4 | K169 L170 M171 R176 | K169-E173 WeakPolarHBondContact O-CB 3.47Å; K169-E173 PolarHBondContact O-N 2.94Å; L170-E173 PolarHBondContact O-N 3.43Å; M171-E173 PolarHBondContact O-N 3.17Å; E173-R176 PolarHBondContact O-N 2.96Å |
| 174 | Q | 92.3 | Very high | 93.4 | Very high | 50 Ų | 50 | 59.3 Ų | 59.3 | 23% | 0.234 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.9 | -36 | 175.2 | 178.1 | 165.5 | -28.2 | 0 | 0 | 113 | S145 L170 M171 E172 Y178 | S145-Q174 VanDerWaalsContact CB-NE2 3.35Å; S145-Q174 PolarHBondContact OG-NE2 3.43Å; S145-Q174 PolarHBondContact OG-OE1 3.38Å; L170-Q174 WeakPolarHBondContact O-CB 3.5Å; L170-Q174 PolarHBondContact O-N 3.03Å; M171-Q174 PolarHBondContact O-N 3.43Å; E172-Q174 VanDerWaalsContact C-N 3.3Å; E172-Q174 PolarHBondContact O-N 2.98Å; Q174-Y178 WeakPolarHBondContact O-CD2 3.49Å; Q174-Y178 WeakPolarHBondContact O-CE2 3.08Å |
| 175 | L | 94.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -80.9 | -11.6 | -178.9 | -70.5 | 177.2 | 0 | 0 | 0 | 114 | M171 E172 S177 Y178 L217 F228 L238 | M171-L175 WeakPolarHBondContact O-CB 3.39Å; M171-L175 WeakPolarHBondContact O-CG 3.48Å; M171-L175 PolarHBondContact O-N 2.98Å; E172-L175 PolarHBondContact O-N 3.22Å; E172-L175 VanDerWaalsContact O-N 3.12Å; L175-S177 VanDerWaalsContact C-N 3.25Å; L175-S177 PolarHBondContact O-N 3.36Å; L175-Y178 HydrophobicContact CD2-CD2 4.15Å; L175-Y178 WeakPolarHBondContact O-CA 3.12Å; L175-Y178 WeakPolarHBondContact O-CB 3.44Å; L175-Y178 PolarHBondContact O-N 3.06Å; L175-L217 HydrophobicContact CD1-CD1 4.22Å; L175-L217 HydrophobicContact CD2-CD1 3.45Å; L175-L217 VanDerWaalsContact CD2-CD1 3.45Å; L175-F228 HydrophobicContact CD1-CE1 3.51Å; L175-F228 HydrophobicContact CD1-CZ 3.99Å; L175-L238 HydrophobicContact CD1-CD1 4.19Å; L175-L238 HydrophobicContact CD2-CD1 3.76Å; L175-L238 HydrophobicContact CG-CD1 3.89Å |
| 176 | R | 93.3 | Very high | 93.3 | Very high | 128 Ų | 128 | 67.5 Ų | 67.5 | 48% | 0.483 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -53.5 | -38.7 | 178.5 | -77 | 175.5 | -175.1 | 166.5 | -0.3 | 113.7 | E172 E173 Y178 N179 | E172-R176 WeakPolarHBondContact O-CG 3.27Å; E172-R176 PolarHBondContact O-N 3.18Å; E172-R176 VanDerWaalsContact O-N 3.08Å; E173-R176 PolarHBondContact O-N 2.96Å; R176-Y178 PolarHBondContact O-N 3.02Å; R176-N179 PolarHBondContact O-N 3.09Å; R176-N179 PolarHBondContact O-ND2 2.97Å |
| 177 | S | 92 | Very high | 93.3 | Very high | 61 Ų | 61 | 61.8 Ų | 61.8 | 43% | 0.427 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -69.7 | -15.9 | 178.6 | 58.3 | 0 | 0 | 0 | 0 | 113.7 | L175 Q183 | L175-S177 VanDerWaalsContact C-N 3.25Å; L175-S177 PolarHBondContact O-N 3.36Å; S177-Q183 PolarHBondContact O-NE2 3.33Å |
| 178 | Y | 94.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 64.1 Ų | 64.1 | 2% | 0.016 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -99.3 | 1.8 | -176.6 | -60.4 | -88 | 0 | 0 | 0 | 113.2 | Q174 L175 R176 D180 F212 R214 T297 A298 V300 | Q174-Y178 WeakPolarHBondContact O-CD2 3.49Å; Q174-Y178 WeakPolarHBondContact O-CE2 3.08Å; L175-Y178 HydrophobicContact CD2-CD2 4.15Å; L175-Y178 WeakPolarHBondContact O-CA 3.12Å; L175-Y178 WeakPolarHBondContact O-CB 3.44Å; L175-Y178 PolarHBondContact O-N 3.06Å; R176-Y178 PolarHBondContact O-N 3.02Å; Y178-D180 PolarHBondContact O-N 3.12Å; Y178-F212 HydrophobicContact CD1-CB 4.2Å; Y178-F212 AromaticContact CD1-CD1 3.48Å; Y178-F212 HydrophobicContact CD1-CD1 3.48Å; Y178-F212 VanDerWaalsContact CD1-CD1 3.48Å; Y178-F212 HydrophobicContact CD1-CE1 4.25Å; Y178-F212 HydrophobicContact CD1-CG 4.15Å; Y178-F212 AromaticContact CE1-CD1 4Å; Y178-F212 HydrophobicContact CE1-CD1 4Å; Y178-F212 HydrophobicContact CE1-CG 4.41Å; Y178-F212 HydrophobicContact CG-CD1 4.37Å; Y178-R214 WeakPolarHBondContact O-CB 3.45Å; Y178-R214 PolarHBondContact O-N 3.32Å; Y178-T297 HydrophobicContact CD1-CG2 4.21Å; Y178-T297 HydrophobicContact CE1-CG2 4.08Å; Y178-A298 VanDerWaalsContact CE1-O 3.27Å; Y178-A298 WeakPolarHBondContact CE1-O 3.49Å; Y178-A298 PolarHBondContact OH-O 2.81Å; Y178-A298 VanDerWaalsContact OH-O 3.04Å; Y178-V300 HydrophobicContact CE1-CG2 4.08Å; Y178-V300 HydrophobicContact CE2-CG2 4.37Å; Y178-V300 WeakPolarHBondContact OH-CG2 3.43Å |
| 179 | N | 94.4 | Very high | 93.2 | Very high | 53 Ų | 53 | 71.1 Ų | 71.1 | 28% | 0.283 | 35% | 0.345 | S | S | . | . | trans | -54.2 | 131.9 | 177.8 | -73.1 | -16 | 0 | 0 | 0 | 111.1 | R176 A181 L182 Q183 R214 | R176-N179 PolarHBondContact O-N 3.09Å; R176-N179 PolarHBondContact O-ND2 2.97Å; N179-A181 VanDerWaalsContact C-N 3.32Å; N179-A181 PolarHBondContact O-N 3.49Å; N179-L182 HydrophobicContact CB-CD1 4.37Å; N179-L182 PolarHBondContact O-N 3.49Å; N179-Q183 PolarHBondContact O-N 3.49Å; N179-R214 WeakPolarHBondContact OD1-CD 3.42Å; N179-R214 PolarHBondContact OD1-NH1 3.45Å; N179-R214 VanDerWaalsContact OD1-NH1 3.16Å | ||
| 180 | D | 94.4 | Very high | 93.1 | Very high | 41 Ų | 41 | 65.4 Ų | 65.4 | 22% | 0.219 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.8 | -44.1 | -169.3 | -66.4 | 16.3 | 0 | 0 | 0 | 112.5 | Y178 L182 Q183 E184 K213 R214 S215 | Y178-D180 PolarHBondContact O-N 3.12Å; D180-L182 PolarHBondContact O-N 3.35Å; D180-Q183 PolarHBondContact O-N 3.14Å; D180-E184 WeakPolarHBondContact O-CB 3.4Å; D180-E184 WeakPolarHBondContact O-CG 3.46Å; D180-E184 PolarHBondContact O-N 2.92Å; D180-K213 WeakPolarHBondContact OD1-CB 3.14Å; D180-R214 PolarHBondContact OD1-N 3.23Å; D180-S215 PolarHBondContact OD1-N 2.98Å; D180-S215 WeakPolarHBondContact OD2-CB 3.24Å; D180-S215 PolarHBondContact OD2-OG 3.45Å |
| 181 | A | 93.7 | Very high | 92.8 | Very high | 74 Ų | 74 | 66.2 Ų | 66.2 | 61% | 0.612 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.2 | -39.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N179 Q185 | N179-A181 VanDerWaalsContact C-N 3.32Å; N179-A181 PolarHBondContact O-N 3.49Å; A181-Q185 WeakPolarHBondContact O-CB 3.34Å; A181-Q185 PolarHBondContact O-N 3.2Å |
| 182 | L | 93.1 | Very high | 92.1 | Very high | 72 Ų | 72 | 73 Ų | 73 | 38% | 0.377 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.5 | -37.7 | 178 | -70.7 | 177.7 | 0 | 0 | 0 | 111.3 | N179 D180 R186 | N179-L182 HydrophobicContact CB-CD1 4.37Å; N179-L182 PolarHBondContact O-N 3.49Å; D180-L182 PolarHBondContact O-N 3.35Å; L182-R186 WeakPolarHBondContact O-CB 3.3Å; L182-R186 PolarHBondContact O-N 2.66Å; L182-R186 VanDerWaalsContact O-N 3.11Å |
| 183 | Q | 93.7 | Very high | 91.5 | Very high | 6 Ų | 6 | 75 Ų | 75 | 3% | 0.028 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.6 | -42.6 | 178.7 | -70.3 | -69.1 | -52.7 | 0 | 0 | 111.3 | S177 N179 D180 Q185 R186 N187 F212 T297 | S177-Q183 PolarHBondContact O-NE2 3.33Å; N179-Q183 PolarHBondContact O-N 3.49Å; D180-Q183 PolarHBondContact O-N 3.14Å; Q183-Q185 VanDerWaalsContact C-N 3.32Å; Q183-Q185 PolarHBondContact O-N 3.13Å; Q183-R186 PolarHBondContact O-N 3.24Å; Q183-N187 WeakPolarHBondContact O-CA 3.15Å; Q183-N187 VanDerWaalsContact O-CB 3.32Å; Q183-N187 WeakPolarHBondContact O-CB 3.19Å; Q183-N187 PolarHBondContact O-N 3.36Å; Q183-N187 PolarHBondContact OE1-ND2 3.18Å; Q183-F212 WeakPolarHBondContact CG-O 3.13Å; Q183-F212 VanDerWaalsContact OE1-N 3.15Å; Q183-T297 PolarHBondContact OE1-OG1 3.27Å; Q183-T297 VanDerWaalsContact OE1-OG1 3.1Å |
| 184 | E | 92.7 | Very high | 91.3 | Very high | 105 Ų | 105 | 72.4 Ų | 72.4 | 49% | 0.491 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65 | -35.1 | 177 | -73.9 | 178.1 | 176.6 | 0 | 0 | 112.7 | D180 K213 | D180-E184 WeakPolarHBondContact O-CB 3.4Å; D180-E184 WeakPolarHBondContact O-CG 3.46Å; D180-E184 PolarHBondContact O-N 2.92Å; E184-K213 VanDerWaalsContact OE1-CE 3.24Å; E184-K213 WeakPolarHBondContact OE1-CE 3.32Å; E184-K213 IonicContact OE1-NZ 2.74Å; E184-K213 PolarHBondContact OE1-NZ 3.39Å |
| 185 | Q | 92.4 | Very high | 91.3 | Very high | 157 Ų | 157 | 72.6 Ų | 72.6 | 73% | 0.734 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -73.1 | -38.8 | 178 | -171.6 | -177.7 | 23.3 | 0 | 0 | 113 | A181 Q183 | A181-Q185 WeakPolarHBondContact O-CB 3.34Å; A181-Q185 PolarHBondContact O-N 3.2Å; Q183-Q185 VanDerWaalsContact C-N 3.32Å; Q183-Q185 PolarHBondContact O-N 3.13Å |
| 186 | R | 90.8 | Very high | 91.2 | Very high | 157 Ų | 157 | 74.6 Ų | 74.6 | 59% | 0.592 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -98.3 | -28.4 | -169.1 | -72.3 | -176.9 | 152.1 | -172.3 | -7.4 | 114.7 | L182 Q183 N295 | L182-R186 WeakPolarHBondContact O-CB 3.3Å; L182-R186 PolarHBondContact O-N 2.66Å; L182-R186 VanDerWaalsContact O-N 3.11Å; Q183-R186 PolarHBondContact O-N 3.24Å; R186-N295 HydrophobicContact CB-CB 4.14Å |
| 187 | N | 93.5 | Very high | 91.1 | Very high | 8 Ų | 8 | 72.5 Ų | 72.5 | 4% | 0.043 | 38% | 0.376 | C | S | . | . | trans | -121.5 | 164.5 | -166.7 | -65.9 | -16.1 | 0 | 0 | 0 | 110.9 | Q183 S209 Q211 N295 | Q183-N187 WeakPolarHBondContact O-CA 3.15Å; Q183-N187 VanDerWaalsContact O-CB 3.32Å; Q183-N187 WeakPolarHBondContact O-CB 3.19Å; Q183-N187 PolarHBondContact O-N 3.36Å; Q183-N187 PolarHBondContact OE1-ND2 3.18Å; N187-S209 WeakPolarHBondContact CB-O 3.28Å; N187-S209 WeakPolarHBondContact OD1-CB 3.38Å; N187-Q211 HydrophobicContact CB-CB 4.42Å; N187-Q211 HydrophobicContact CB-CG 3.61Å; N187-Q211 PolarHBondContact O-NE2 3.11Å; N187-N295 PolarHBondContact ND2-O 3.24Å; N187-N295 WeakPolarHBondContact OD1-CB 2.99Å; N187-N295 PolarHBondContact OD1-O 3.27Å | ||
| 188 | I | 93.2 | Very high | 90.9 | Very high | 60 Ų | 60 | 70.2 Ų | 70.2 | 31% | 0.308 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -110.8 | 161.4 | -178.9 | 59.2 | 165.3 | 0 | 0 | 0 | 112 | F196 K208 S209 C210 Q211 | I188-F196 HydrophobicContact CD1-CE1 3.94Å; I188-F196 HydrophobicContact CD1-CZ 3.6Å; I188-K208 HydrophobicContact CD1-CB 3.74Å; I188-K208 HydrophobicContact CD1-CD 3.79Å; I188-K208 HydrophobicContact CD1-CG 4.42Å; I188-K208 HydrophobicContact CG1-CB 4.05Å; I188-K208 HydrophobicContact CG2-CD 4.19Å; I188-S209 WeakPolarHBondContact CG1-O 3.28Å; I188-S209 PolarHBondContact N-O 3.22Å; I188-C210 WeakPolarHBondContact O-CA 3.37Å; I188-Q211 WeakPolarHBondContact O-CG 3.35Å; I188-Q211 PolarHBondContact O-N 3.06Å |
| 189 | Q | 91.8 | Very high | 90.3 | Very high | 156 Ų | 156 | 74.8 Ų | 74.8 | 73% | 0.729 | 38% | 0.384 | S | S | * | . | trans | -79.3 | 126.1 | 170.5 | -64.8 | -179.5 | 10.5 | 0 | 0 | 109.4 | ||||
| 190 | C | 90.6 | Very high | 89.6 | Confident | 20 Ų | 20 | 80.2 Ų | 80.2 | 14% | 0.135 | 41% | 0.413 | C | S | . | . | trans | -104.2 | 155 | -177.5 | -68.7 | 0 | 0 | 0 | 0 | 111.6 | Q192 C210 M283 | C190-Q192 PolarHBondContact O-N 2.85Å; C190-C210 HydrophobicContact CB-CB 3.74Å; C190-C210 WeakPolarHBondContact CB-SG 2.95Å; C190-C210 WeakPolarHBondContact SG-CA 3.5Å; C190-C210 WeakPolarHBondContact SG-CB 3.16Å; C190-C210 CovalentContact SG-SG 2.02Å; C190-C210 PolarHBondContact SG-SG 3.1Å; C190-M283 HydrophobicContact CB-CB 4.12Å; C190-M283 HydrophobicContact CB-CG 4.42Å; C190-M283 HydrophobicContact CB-SD 4.21Å | ||
| 191 | P | 86.6 | Confident | 89 | Confident | 77 Ų | 77 | 82 Ų | 82 | 50% | 0.5 | 42% | 0.42 | S | S | . | . | trans | -62.7 | 134.8 | 172 | 27.6 | -34.1 | 0 | 0 | 0 | 110 | M283 | P191-M283 WeakPolarHBondContact O-CB 3.14Š| ||
| 192 | Q | 80.2 | Confident | 88.5 | Confident | 142 Ų | 142 | 85.6 Ų | 85.6 | 66% | 0.664 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 148.3 | 176.6 | -65 | -176.9 | -10 | 0 | 0 | 110.2 | C190 A194 M283 | C190-Q192 PolarHBondContact O-N 2.85Å; Q192-A194 VanDerWaalsContact C-N 3.26Å; Q192-A194 PolarHBondContact O-N 3.45Å; Q192-M283 HydrophobicContact CG-SD 4.34Å |
| 193 | D | 81.1 | Confident | 87.9 | Confident | 103 Ų | 103 | 86.7 Ų | 86.7 | 55% | 0.551 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 7.4 | 168.3 | -52.2 | -31.4 | 0 | 0 | 0 | 116.7 | N281 | D193-N281 PolarHBondContact N-OD1 3.5Å; D193-N281 PolarHBondContact OD1-ND2 3.29Å |
| 194 | A | 89.4 | Confident | 87.3 | Confident | 47 Ų | 47 | 89.6 Ų | 89.6 | 39% | 0.388 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -123.7 | 158.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q192 L282 M283 | Q192-A194 VanDerWaalsContact C-N 3.26Å; Q192-A194 PolarHBondContact O-N 3.45Å; A194-L282 CarbonylContact O-C 3.53Å; A194-M283 WeakPolarHBondContact O-CA 3.38Å; A194-M283 PolarHBondContact O-N 3.45Å; A194-M283 VanDerWaalsContact O-N 3.12Å |
| 195 | Y | 91.7 | Very high | 87.1 | Confident | 53 Ų | 53 | 86 Ų | 86 | 21% | 0.208 | 44% | 0.436 | C | S | . | . | trans | -69.8 | 140.2 | 171.3 | -62.2 | -63.6 | 0 | 0 | 0 | 110.9 | M197 L248 P249 Q251 G252 L282 | Y195-M197 VanDerWaalsContact C-N 3.34Å; Y195-M197 PolarHBondContact O-N 3.28Å; Y195-M197 VanDerWaalsContact O-N 3.17Å; Y195-L248 HydrophobicContact CD1-CD2 3.71Å; Y195-L248 HydrophobicContact CD2-CD2 4.31Å; Y195-L248 HydrophobicContact CE1-CB 4.15Å; Y195-L248 HydrophobicContact CE1-CD2 3.88Å; Y195-L248 HydrophobicContact CE2-CD2 4.46Å; Y195-L248 HydrophobicContact CG-CD2 3.91Å; Y195-P249 PolarHBondContact OH-O 2.89Å; Y195-Q251 PolarHBondContact OH-N 3.36Å; Y195-G252 PolarHBondContact OH-N 3.25Å; Y195-L282 HydrophobicContact CD1-CB 3.93Å; Y195-L282 HydrophobicContact CD1-CD2 4.48Å; Y195-L282 HydrophobicContact CE1-CB 4.02Å; Y195-L282 HydrophobicContact CE1-CD1 4.48Å; Y195-L282 HydrophobicContact CE1-CD2 3.71Å; Y195-L282 HydrophobicContact CE1-CG 4.27Å | ||
| 196 | F | 91.9 | Very high | 87 | Confident | 42 Ų | 42 | 85.4 Ų | 85.4 | 18% | 0.184 | 43% | 0.433 | C | S | . | . | trans | -91.9 | 74.2 | 176.8 | -170 | -136.7 | 0 | 0 | 0 | 110.8 | I188 Q198 K208 C210 M283 Y285 | I188-F196 HydrophobicContact CD1-CE1 3.94Å; I188-F196 HydrophobicContact CD1-CZ 3.6Å; F196-Q198 VanDerWaalsContact CD1-NE2 3.28Å; F196-Q198 HydrophobicContact CE1-CG 4.31Å; F196-Q198 HydrophobicContact CE2-CG 4.47Å; F196-Q198 HydrophobicContact CZ-CG 4.16Å; F196-K208 HydrophobicContact CE1-CB 4.37Å; F196-K208 WeakPolarHBondContact CE1-O 3.26Å; F196-C210 VanDerWaalsContact CD1-SG 3.51Å; F196-M283 WeakPolarHBondContact CB-O 3.47Å; F196-Y285 PolarHBondContact N-O 2.86Å | ||
| 197 | M | 90.8 | Very high | 87.1 | Confident | 84 Ų | 84 | 78.8 Ų | 78.8 | 41% | 0.414 | 41% | 0.408 | S | S | . | . | trans | -73.9 | 137.1 | 176.9 | -53.6 | -65.6 | -66.2 | 0 | 0 | 110 | Y195 D199 L248 P286 | Y195-M197 VanDerWaalsContact C-N 3.34Å; Y195-M197 PolarHBondContact O-N 3.28Å; Y195-M197 VanDerWaalsContact O-N 3.17Å; M197-D199 WeakPolarHBondContact CE-OD2 3.42Å; M197-L248 HydrophobicContact SD-CD2 4.19Å; M197-P286 HydrophobicContact SD-CG 3.85Å | ||
| 198 | Q | 88.5 | Confident | 87 | Confident | 13 Ų | 13 | 84.1 Ų | 84.1 | 6% | 0.061 | 43% | 0.431 | C | S | . | . | trans | -128.8 | 35.2 | 177.4 | -68.1 | 175 | 41.2 | 0 | 0 | 110.6 | F196 D200 R207 K208 Y288 | F196-Q198 VanDerWaalsContact CD1-NE2 3.28Å; F196-Q198 HydrophobicContact CE1-CG 4.31Å; F196-Q198 HydrophobicContact CE2-CG 4.47Å; F196-Q198 HydrophobicContact CZ-CG 4.16Å; Q198-D200 PolarHBondContact O-N 3.18Å; Q198-D200 VanDerWaalsContact O-N 3.12Å; Q198-R207 PolarHBondContact O-NH1 3.16Å; Q198-R207 VanDerWaalsContact OE1-CA 3.26Å; Q198-K208 PolarHBondContact NE2-O 2.77Å; Q198-Y288 HydrophobicContact CB-CE2 4.27Å; Q198-Y288 PolarHBondContact N-OH 3Å | ||
| 199 | D | 81.4 | Confident | 87 | Confident | 101 Ų | 101 | 81.4 Ų | 81.4 | 54% | 0.54 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -14.3 | -168.3 | -58.6 | -18.7 | 0 | 0 | 0 | 113.5 | M197 Q201 Y288 | M197-D199 WeakPolarHBondContact CE-OD2 3.42Å; D199-Q201 VanDerWaalsContact C-N 3.26Å; D199-Q201 PolarHBondContact O-N 2.8Å; D199-Y288 PolarHBondContact OD1-OH 2.82Å |
| 200 | D | 79.9 | Confident | 87.1 | Confident | 167 Ų | 167 | 74.2 Ų | 74.2 | 89% | 0.893 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -10.6 | -177.9 | -56.8 | -42 | 0 | 0 | 0 | 114.9 | Q198 | Q198-D200 PolarHBondContact O-N 3.18Å; Q198-D200 VanDerWaalsContact O-N 3.12Å |
| 201 | Q | 81.7 | Confident | 87.2 | Confident | 79 Ų | 79 | 74.1 Ų | 74.1 | 37% | 0.369 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -100.4 | 155 | 179.6 | -27.1 | 171.5 | -51 | 0 | 0 | 111.6 | D199 A205 R207 | D199-Q201 VanDerWaalsContact C-N 3.26Å; D199-Q201 PolarHBondContact O-N 2.8Å; Q201-A205 HydrophobicContact CB-CB 4.04Å; Q201-R207 VanDerWaalsContact CG-NH1 3.35Å; Q201-R207 PolarHBondContact O-NH2 3.41Å |
| 202 | E | 83.8 | Confident | 87.6 | Confident | 149 Ų | 149 | 70.8 Ų | 70.8 | 70% | 0.696 | 36% | 0.36 | S | S | * | . | trans | -50.6 | 151.4 | 177 | -64.6 | -178.7 | 179.2 | 0 | 0 | 113.1 | S204 A205 R207 | E202-S204 VanDerWaalsContact C-N 3.25Å; E202-S204 PolarHBondContact O-N 3.29Å; E202-A205 HydrophobicContact CB-CB 4.41Å; E202-A205 WeakPolarHBondContact O-CB 3.44Å; E202-A205 PolarHBondContact O-N 3.08Å; E202-A205 VanDerWaalsContact O-N 3.08Å; E202-R207 PolarHBondContact O-NH2 2.84Å | ||
| 203 | E | 80.1 | Confident | 88.3 | Confident | 95 Ų | 95 | 65.9 Ų | 65.9 | 44% | 0.444 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -37.1 | -175.3 | -168.5 | 176.1 | -173.1 | 0 | 0 | 112.2 | Y129 H130 A205 R292 | Y129-E203 HydrophobicContact CD2-CG 3.88Å; Y129-E203 HydrophobicContact CG-CG 4.26Å; H130-E203 IonicContact CE1-OE1 2.63Å; H130-E203 IonicContact ND1-OE1 3.38Å; H130-E203 PolarHBondContact ND1-OE1 2.81Å; H130-E203 VanDerWaalsContact ND1-OE1 3.09Å; E203-A205 VanDerWaalsContact C-N 3.33Å; E203-A205 PolarHBondContact O-N 3.24Å; E203-R292 WeakPolarHBondContact O-CD 3.43Å |
| 204 | S | 81 | Confident | 88.9 | Confident | 66 Ų | 66 | 61.3 Ų | 61.3 | 46% | 0.462 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -13.6 | 179.5 | 58.1 | 0 | 0 | 0 | 0 | 114.5 | E202 | E202-S204 VanDerWaalsContact C-N 3.25Å; E202-S204 PolarHBondContact O-N 3.29Å |
| 205 | A | 89.3 | Confident | 89.1 | Confident | 29 Ų | 29 | 61.4 Ų | 61.4 | 24% | 0.24 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -66.8 | 141.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q201 E202 E203 R207 | Q201-A205 HydrophobicContact CB-CB 4.04Å; E202-A205 HydrophobicContact CB-CB 4.41Å; E202-A205 WeakPolarHBondContact O-CB 3.44Å; E202-A205 PolarHBondContact O-N 3.08Å; E202-A205 VanDerWaalsContact O-N 3.08Å; E203-A205 VanDerWaalsContact C-N 3.33Å; E203-A205 PolarHBondContact O-N 3.24Å; A205-R207 PolarHBondContact O-N 2.82Å; A205-R207 PolarHBondContact O-NE 2.73Å |
| 206 | E | 90.7 | Very high | 89.3 | Confident | 146 Ų | 146 | 63.6 Ų | 63.6 | 68% | 0.682 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 131.1 | 173.2 | -67.8 | -172.1 | -178.7 | 0 | 0 | 110.7 | R292 | E206-R292 WeakPolarHBondContact CA-O 3.21Š|
| 207 | R | 91.1 | Very high | 89.4 | Confident | 17 Ų | 17 | 61.6 Ų | 61.6 | 6% | 0.064 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -94.8 | 137.2 | -178.6 | -53.7 | -51.3 | 176 | 151.2 | 7 | 110.3 | Q198 Q201 E202 A205 Y288 R292 H293 | Q198-R207 PolarHBondContact O-NH1 3.16Å; Q198-R207 VanDerWaalsContact OE1-CA 3.26Å; Q201-R207 VanDerWaalsContact CG-NH1 3.35Å; Q201-R207 PolarHBondContact O-NH2 3.41Å; E202-R207 PolarHBondContact O-NH2 2.84Å; A205-R207 PolarHBondContact O-N 2.82Å; A205-R207 PolarHBondContact O-NE 2.73Å; R207-Y288 HydrophobicContact CB-CD2 4.26Å; R207-Y288 HydrophobicContact CB-CG 4.42Å; R207-Y288 HydrophobicContact CG-CD1 4.44Å; R207-Y288 HydrophobicContact CG-CD2 4.16Å; R207-Y288 HydrophobicContact CG-CG 3.89Å; R207-R292 HydrophobicContact CG-CB 3.99Å; R207-R292 PolarHBondContact N-O 3.47Å; R207-H293 PolarHBondContact O-CD2 2.82Å |
| 208 | K | 91.6 | Very high | 89.5 | Confident | 121 Ų | 121 | 58.6 Ų | 58.6 | 53% | 0.526 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 140.9 | 178.8 | -63 | -173.3 | -178.8 | 179 | 0 | 110.3 | I188 F196 Q198 H293 | I188-K208 HydrophobicContact CD1-CB 3.74Å; I188-K208 HydrophobicContact CD1-CD 3.79Å; I188-K208 HydrophobicContact CD1-CG 4.42Å; I188-K208 HydrophobicContact CG1-CB 4.05Å; I188-K208 HydrophobicContact CG2-CD 4.19Å; F196-K208 HydrophobicContact CE1-CB 4.37Å; F196-K208 WeakPolarHBondContact CE1-O 3.26Å; Q198-K208 PolarHBondContact NE2-O 2.77Å; K208-H293 PolarHBondContact O-NE2 2.89Å |
| 209 | S | 93.1 | Very high | 89.6 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -101.7 | 149.5 | 176.3 | -53.1 | 0 | 0 | 0 | 0 | 111.9 | N187 I188 H293 N295 Y296 | N187-S209 WeakPolarHBondContact CB-O 3.28Å; N187-S209 WeakPolarHBondContact OD1-CB 3.38Å; I188-S209 WeakPolarHBondContact CG1-O 3.28Å; I188-S209 PolarHBondContact N-O 3.22Å; S209-H293 WeakPolarHBondContact CA-NE2 3.33Å; S209-H293 WeakPolarHBondContact CB-NE2 3.23Å; S209-H293 PolarHBondContact OG-CD2 3.38Å; S209-H293 PolarHBondContact OG-NE2 3.05Å; S209-N295 VanDerWaalsContact OG-C 3.3Å; S209-Y296 WeakPolarHBondContact OG-CA 3.37Å; S209-Y296 PolarHBondContact OG-N 3.3Å; S209-Y296 VanDerWaalsContact OG-N 3.13Å |
| 210 | C | 94 | Very high | 90.2 | Very high | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.034 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -77.4 | 138.4 | 171.4 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | I188 C190 F196 M283 Y284 | I188-C210 WeakPolarHBondContact O-CA 3.37Å; C190-C210 HydrophobicContact CB-CB 3.74Å; C190-C210 WeakPolarHBondContact CB-SG 2.95Å; C190-C210 WeakPolarHBondContact SG-CA 3.5Å; C190-C210 WeakPolarHBondContact SG-CB 3.16Å; C190-C210 CovalentContact SG-SG 2.02Å; C190-C210 PolarHBondContact SG-SG 3.1Å; F196-C210 VanDerWaalsContact CD1-SG 3.51Å; C210-M283 PolarHBondContact SG-O 2.77Å; C210-Y284 HydrophobicContact CB-CD1 3.88Å; C210-Y284 HydrophobicContact CB-CE1 3.75Å |
| 211 | Q | 94.2 | Very high | 90.9 | Very high | 18 Ų | 18 | 49.2 Ų | 49.2 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 135.2 | 175 | -69.6 | 171.1 | 6.8 | 0 | 0 | 110.9 | N187 I188 W216 Y284 | N187-Q211 HydrophobicContact CB-CB 4.42Å; N187-Q211 HydrophobicContact CB-CG 3.61Å; N187-Q211 PolarHBondContact O-NE2 3.11Å; I188-Q211 WeakPolarHBondContact O-CG 3.35Å; I188-Q211 PolarHBondContact O-N 3.06Å; Q211-W216 WeakPolarHBondContact O-CZ3 3.43Å; Q211-Y284 PolarHBondContact O-OH 3.5Å |
| 212 | F | 94.5 | Very high | 91.3 | Very high | 7 Ų | 7 | 46 Ų | 46 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | trans | -126.1 | 106.6 | 163.2 | -174.4 | -79.6 | 0 | 0 | 0 | 108.5 | Y178 Q183 W216 L217 Y284 P299 V300 | Y178-F212 HydrophobicContact CD1-CB 4.2Å; Y178-F212 AromaticContact CD1-CD1 3.48Å; Y178-F212 HydrophobicContact CD1-CD1 3.48Å; Y178-F212 VanDerWaalsContact CD1-CD1 3.48Å; Y178-F212 HydrophobicContact CD1-CE1 4.25Å; Y178-F212 HydrophobicContact CD1-CG 4.15Å; Y178-F212 AromaticContact CE1-CD1 4Å; Y178-F212 HydrophobicContact CE1-CD1 4Å; Y178-F212 HydrophobicContact CE1-CG 4.41Å; Y178-F212 HydrophobicContact CG-CD1 4.37Å; Q183-F212 WeakPolarHBondContact CG-O 3.13Å; Q183-F212 VanDerWaalsContact OE1-N 3.15Å; F212-W216 HydrophobicContact CD2-CE3 4.14Å; F212-W216 HydrophobicContact CD2-CZ3 4.33Å; F212-W216 HydrophobicContact CE2-CE3 4.35Å; F212-W216 HydrophobicContact CG-CE3 4.38Å; F212-L217 HydrophobicContact CE1-CD1 4.4Å; F212-L217 HydrophobicContact CE1-CD2 4.13Å; F212-L217 HydrophobicContact CE1-CG 4.13Å; F212-L217 HydrophobicContact CZ-CD2 3.93Å; F212-L217 HydrophobicContact CZ-CG 4.37Å; F212-Y284 HydrophobicContact CB-CE1 3.98Å; F212-Y284 HydrophobicContact CD2-CE1 4.43Å; F212-Y284 HydrophobicContact CD2-CE2 4.19Å; F212-Y284 AromaticContact CD2-CZ 3.75Å; F212-Y284 WeakPolarHBondContact CD2-OH 3.48Å; F212-P299 HydrophobicContact CD2-CB 4.29Å; F212-P299 HydrophobicContact CE2-CB 4.4Å; F212-V300 HydrophobicContact CE1-CB 4.44Å; F212-V300 WeakPolarHBondContact CE2-O 3.46Å; F212-V300 HydrophobicContact CZ-CB 4.31Å; F212-V300 WeakPolarHBondContact CZ-O 3.44Å | ||
| 213 | K | 93.6 | Very high | 91.6 | Very high | 38 Ų | 38 | 43.9 Ų | 43.9 | 17% | 0.165 | 23% | 0.228 | C | C | . | . | trans | -82.1 | 138.6 | -176.8 | -63.8 | -175.5 | 173.2 | -168.4 | 0 | 110.9 | D180 E184 S215 W216 | D180-K213 WeakPolarHBondContact OD1-CB 3.14Å; E184-K213 VanDerWaalsContact OE1-CE 3.24Å; E184-K213 WeakPolarHBondContact OE1-CE 3.32Å; E184-K213 IonicContact OE1-NZ 2.74Å; E184-K213 PolarHBondContact OE1-NZ 3.39Å; K213-S215 PolarHBondContact O-N 3.02Å; K213-W216 HydrophobicContact CB-CD2 3.88Å; K213-W216 HydrophobicContact CB-CE3 4.46Å; K213-W216 HydrophobicContact CB-CG 4.08Å; K213-W216 HydrophobicContact CB-CZ2 4.26Å; K213-W216 HydrophobicContact CD-CZ2 4.08Å; K213-W216 HydrophobicContact CG-CZ2 4.02Å; K213-W216 WeakPolarHBondContact O-CB 3.32Å; K213-W216 PolarHBondContact O-N 3.18Å | ||
| 214 | R | 94.5 | Very high | 92 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -64.2 | -32.3 | 175.7 | 177 | 174.5 | 177 | 171.8 | 2.6 | 111.4 | E172 Y178 N179 D180 W216 L217 S221 | E172-R214 IonicContact OE1-CZ 3.54Å; E172-R214 IonicContact OE1-NH1 3.49Å; E172-R214 PolarHBondContact OE1-NH1 2.93Å; E172-R214 IonicContact OE1-NH2 3.09Å; E172-R214 IonicContact OE2-CZ 2.77Å; E172-R214 IonicContact OE2-NH1 3.91Å; E172-R214 PolarHBondContact OE2-NH1 3.39Å; E172-R214 IonicContact OE2-NH2 2.77Å; E172-R214 PolarHBondContact OE2-NH2 2.87Å; Y178-R214 WeakPolarHBondContact O-CB 3.45Å; Y178-R214 PolarHBondContact O-N 3.32Å; N179-R214 WeakPolarHBondContact OD1-CD 3.42Å; N179-R214 PolarHBondContact OD1-NH1 3.45Å; N179-R214 VanDerWaalsContact OD1-NH1 3.16Å; D180-R214 PolarHBondContact OD1-N 3.23Å; R214-W216 PolarHBondContact O-N 2.88Å; R214-L217 WeakPolarHBondContact O-CB 3.26Å; R214-L217 PolarHBondContact O-N 3.4Å; R214-L217 VanDerWaalsContact O-N 3.11Å; R214-S221 PolarHBondContact NE-O 3.33Å; R214-S221 PolarHBondContact NH2-O 3.45Å; R214-S221 WeakPolarHBondContact O-CB 3.26Å |
| 215 | S | 94.4 | Very high | 92.5 | Very high | 49 Ų | 49 | 44.9 Ų | 44.9 | 34% | 0.343 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -57.9 | -26.4 | 174.7 | 50.5 | 0 | 0 | 0 | 0 | 113.9 | D180 K213 L217 G218 | D180-S215 PolarHBondContact OD1-N 2.98Å; D180-S215 WeakPolarHBondContact OD2-CB 3.24Å; D180-S215 PolarHBondContact OD2-OG 3.45Å; K213-S215 PolarHBondContact O-N 3.02Å; S215-L217 PolarHBondContact O-N 3.03Å; S215-G218 PolarHBondContact O-N 2.98Å; S215-G218 VanDerWaalsContact O-N 3.14Å |
| 216 | W | 94.3 | Very high | 92.5 | Very high | 99 Ų | 99 | 47.2 Ų | 47.2 | 38% | 0.375 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -69.2 | -17.4 | 178 | -61 | -15.3 | 0 | 0 | 0 | 113.8 | Q211 F212 K213 R214 G218 P276 Y284 | Q211-W216 WeakPolarHBondContact O-CZ3 3.43Å; F212-W216 HydrophobicContact CD2-CE3 4.14Å; F212-W216 HydrophobicContact CD2-CZ3 4.33Å; F212-W216 HydrophobicContact CE2-CE3 4.35Å; F212-W216 HydrophobicContact CG-CE3 4.38Å; K213-W216 HydrophobicContact CB-CD2 3.88Å; K213-W216 HydrophobicContact CB-CE3 4.46Å; K213-W216 HydrophobicContact CB-CG 4.08Å; K213-W216 HydrophobicContact CB-CZ2 4.26Å; K213-W216 HydrophobicContact CD-CZ2 4.08Å; K213-W216 HydrophobicContact CG-CZ2 4.02Å; K213-W216 WeakPolarHBondContact O-CB 3.32Å; K213-W216 PolarHBondContact O-N 3.18Å; R214-W216 PolarHBondContact O-N 2.88Å; W216-G218 PolarHBondContact O-N 3.43Å; W216-P276 HydrophobicContact CB-CB 4.26Å; W216-P276 HydrophobicContact CB-CG 4.26Å; W216-P276 WeakPolarHBondContact O-CA 3.48Å; W216-P276 WeakPolarHBondContact O-CB 3.47Å; W216-Y284 VanDerWaalsContact CZ3-OH 3.3Å; W216-Y284 WeakPolarHBondContact CZ3-OH 3.3Å |
| 217 | L | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -76 | 1 | 174 | -60.6 | 171.6 | 0 | 0 | 0 | 112.7 | L175 F212 R214 S215 E219 C220 L238 F275 A302 | L175-L217 HydrophobicContact CD1-CD1 4.22Å; L175-L217 HydrophobicContact CD2-CD1 3.45Å; L175-L217 VanDerWaalsContact CD2-CD1 3.45Å; F212-L217 HydrophobicContact CE1-CD1 4.4Å; F212-L217 HydrophobicContact CE1-CD2 4.13Å; F212-L217 HydrophobicContact CE1-CG 4.13Å; F212-L217 HydrophobicContact CZ-CD2 3.93Å; F212-L217 HydrophobicContact CZ-CG 4.37Å; R214-L217 WeakPolarHBondContact O-CB 3.26Å; R214-L217 PolarHBondContact O-N 3.4Å; R214-L217 VanDerWaalsContact O-N 3.11Å; S215-L217 PolarHBondContact O-N 3.03Å; L217-E219 PolarHBondContact O-N 3.33Å; L217-C220 PolarHBondContact O-N 3.14Å; L217-L238 HydrophobicContact CD1-CD2 4.31Å; L217-F275 WeakPolarHBondContact O-CB 3.26Å; L217-A302 HydrophobicContact CD2-CB 4.02Å |
| 218 | G | 92.5 | Very high | 92.7 | Very high | 22 Ų | 22 | 42.3 Ų | 42.3 | 23% | 0.227 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | 58.5 | -126.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S215 W216 C220 S221 | S215-G218 PolarHBondContact O-N 2.98Å; S215-G218 VanDerWaalsContact O-N 3.14Å; W216-G218 PolarHBondContact O-N 3.43Å; G218-C220 VanDerWaalsContact C-N 3.26Å; G218-C220 PolarHBondContact O-N 2.95Å; G218-S221 WeakPolarHBondContact O-CB 3.23Å; G218-S221 PolarHBondContact O-N 3.17Å; G218-S221 VanDerWaalsContact O-N 3.14Å; G218-S221 PolarHBondContact O-OG 3.4Å |
| 219 | E | 92 | Very high | 92.7 | Very high | 81 Ų | 81 | 36.6 Ų | 36.6 | 38% | 0.379 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -67.5 | -26.3 | -179.8 | -61.2 | 175.7 | 135.8 | 0 | 0 | 112.7 | L217 S221 R304 | L217-E219 PolarHBondContact O-N 3.33Å; E219-S221 PolarHBondContact O-N 3.05Å; E219-R304 IonicContact OE1-NH1 2.59Å; E219-R304 PolarHBondContact OE1-NH1 3.47Å; E219-R304 IonicContact OE2-CZ 3.82Å; E219-R304 IonicContact OE2-NH1 3.74Å; E219-R304 PolarHBondContact OE2-NH1 2.97Å |
| 220 | C | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -83 | 5.2 | 175.8 | -63.3 | 0 | 0 | 0 | 0 | 113.2 | L217 G218 G222 F228 C236 A302 | L217-C220 PolarHBondContact O-N 3.14Å; G218-C220 VanDerWaalsContact C-N 3.26Å; G218-C220 PolarHBondContact O-N 2.95Å; C220-G222 VanDerWaalsContact C-N 3.32Å; C220-F228 WeakPolarHBondContact O-CD1 3.41Å; C220-F228 WeakPolarHBondContact O-CE1 3.26Å; C220-C236 WeakPolarHBondContact CA-SG 3.48Å; C220-C236 HydrophobicContact CB-CB 3.59Å; C220-C236 WeakPolarHBondContact CB-SG 3.2Å; C220-C236 WeakPolarHBondContact SG-CB 3.33Å; C220-C236 CovalentContact SG-SG 2.04Å; C220-C236 PolarHBondContact SG-SG 2.95Å; C220-A302 HydrophobicContact CB-CB 3.55Å |
| 221 | S | 93.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -71.7 | -24 | 178.7 | 64.5 | 0 | 0 | 0 | 0 | 113 | R214 G218 E219 L223 | R214-S221 PolarHBondContact NE-O 3.33Å; R214-S221 PolarHBondContact NH2-O 3.45Å; R214-S221 WeakPolarHBondContact O-CB 3.26Å; G218-S221 WeakPolarHBondContact O-CB 3.23Å; G218-S221 PolarHBondContact O-N 3.17Å; G218-S221 VanDerWaalsContact O-N 3.14Å; G218-S221 PolarHBondContact O-OG 3.4Å; E219-S221 PolarHBondContact O-N 3.05Å; S221-L223 PolarHBondContact O-N 3.37Å; S221-L223 PolarHBondContact OG-N 3.49Å |
| 222 | G | 90.7 | Very high | 92.4 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 10% | 0.103 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 81.2 | -1.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | C220 D225 F228 | C220-G222 VanDerWaalsContact C-N 3.32Å; G222-D225 VanDerWaalsContact CA-O 3.27Å; G222-D225 WeakPolarHBondContact CA-O 3.47Å; G222-F228 VanDerWaalsContact CA-CE1 3.49Å |
| 223 | L | 90.1 | Very high | 92.2 | Very high | 106 Ų | 106 | 42 Ų | 42 | 56% | 0.555 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -80.1 | -39.6 | 178.6 | -64.1 | 174.6 | 0 | 0 | 0 | 112.1 | S221 | S221-L223 PolarHBondContact O-N 3.37Å; S221-L223 PolarHBondContact OG-N 3.49Å |
| 224 | Q | 88.9 | Confident | 92.1 | Very high | 151 Ų | 151 | 43.8 Ų | 43.8 | 71% | 0.706 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -87.8 | -48.1 | 176.4 | -62.5 | 178.9 | 17.2 | 0 | 0 | 111 | ||
| 225 | D | 90.1 | Very high | 92.1 | Very high | 30 Ų | 30 | 43.5 Ų | 43.5 | 16% | 0.16 | 23% | 0.229 | C | C | . | . | trans | -118.2 | 105.9 | 176.8 | 177.5 | 26.8 | 0 | 0 | 0 | 111 | G222 H227 F228 G229 | G222-D225 VanDerWaalsContact CA-O 3.27Å; G222-D225 WeakPolarHBondContact CA-O 3.47Å; D225-H227 PolarHBondContact O-N 3.08Å; D225-H227 VanDerWaalsContact O-N 3.08Å; D225-H227 WeakPolarHBondContact OD1-CB 3.27Å; D225-H227 IonicContact OD1-CE1 3.51Å; D225-H227 IonicContact OD1-CG 3.79Å; D225-H227 PolarHBondContact OD1-N 3.48Å; D225-H227 IonicContact OD1-ND1 3.46Å; D225-H227 PolarHBondContact OD1-ND1 2.87Å; D225-F228 PolarHBondContact O-N 3.5Å; D225-F228 PolarHBondContact OD2-N 3.37Å; D225-G229 WeakPolarHBondContact OD2-CA 3.07Å; D225-G229 PolarHBondContact OD2-N 3.5Å | ||
| 226 | P | 90.8 | Very high | 92.1 | Very high | 78 Ų | 78 | 41.2 Ų | 41.2 | 51% | 0.506 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -8.3 | 179.5 | 29.7 | -35.1 | 0 | 0 | 0 | 113.1 | F228 | P226-F228 WeakPolarHBondContact O-CD2 3.27Š|
| 227 | H | 92.1 | Very high | 92.1 | Very high | 60 Ų | 60 | 36.5 Ų | 36.5 | 28% | 0.278 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 2.1 | 179.2 | -37.6 | 103.6 | 0 | 0 | 0 | 113.1 | W164 D225 G229 F230 | W164-H227 HydrophobicContact CE3-CB 4.45Å; W164-H227 HydrophobicContact CH2-CB 4.12Å; W164-H227 AromaticContact CH2-CD2 3.27Å; W164-H227 WeakPolarHBondContact CH2-CD2 3.44Å; W164-H227 AromaticContact CH2-CG 3.83Å; W164-H227 HydrophobicContact CZ3-CB 3.88Å; W164-H227 AromaticContact CZ3-CD2 3.46Å; W164-H227 VanDerWaalsContact CZ3-CD2 3.46Å; W164-H227 WeakPolarHBondContact CZ3-CD2 3.34Å; W164-H227 AromaticContact CZ3-CG 3.96Å; D225-H227 PolarHBondContact O-N 3.08Å; D225-H227 VanDerWaalsContact O-N 3.08Å; D225-H227 WeakPolarHBondContact OD1-CB 3.27Å; D225-H227 IonicContact OD1-CE1 3.51Å; D225-H227 IonicContact OD1-CG 3.79Å; D225-H227 PolarHBondContact OD1-N 3.48Å; D225-H227 IonicContact OD1-ND1 3.46Å; D225-H227 PolarHBondContact OD1-ND1 2.87Å; H227-G229 PolarHBondContact O-N 2.65Å; H227-G229 VanDerWaalsContact O-N 3.08Å; H227-F230 WeakPolarHBondContact O-CB 3.42Å; H227-F230 VanDerWaalsContact O-CD2 3.23Å; H227-F230 WeakPolarHBondContact O-CD2 3.2Å; H227-F230 PolarHBondContact O-N 3.37Å |
| 228 | F | 93.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 34.4 | 176.4 | -59.9 | -86.6 | 0 | 0 | 0 | 114.1 | A168 M171 E172 L175 C220 G222 D225 P226 F230 C236 | A168-F228 HydrophobicContact CB-CD2 4.15Å; A168-F228 WeakPolarHBondContact O-CE2 3.47Å; M171-F228 HydrophobicContact CB-CD1 4.28Å; M171-F228 HydrophobicContact CB-CD2 3.85Å; M171-F228 HydrophobicContact CB-CE1 4.19Å; M171-F228 HydrophobicContact CB-CE2 3.74Å; M171-F228 HydrophobicContact CB-CG 4.12Å; M171-F228 HydrophobicContact CB-CZ 3.91Å; M171-F228 HydrophobicContact CE-CB 4.26Å; M171-F228 HydrophobicContact CE-CD1 3.77Å; M171-F228 HydrophobicContact CE-CE1 4.35Å; M171-F228 HydrophobicContact CE-CG 4.09Å; E172-F228 HydrophobicContact CB-CE2 4.33Å; E172-F228 HydrophobicContact CB-CZ 4.5Å; L175-F228 HydrophobicContact CD1-CE1 3.51Å; L175-F228 HydrophobicContact CD1-CZ 3.99Å; C220-F228 WeakPolarHBondContact O-CD1 3.41Å; C220-F228 WeakPolarHBondContact O-CE1 3.26Å; G222-F228 VanDerWaalsContact CA-CE1 3.49Å; D225-F228 PolarHBondContact O-N 3.5Å; D225-F228 PolarHBondContact OD2-N 3.37Å; P226-F228 WeakPolarHBondContact O-CD2 3.27Å; F228-F230 HydrophobicContact CB-CD2 4Å; F228-F230 HydrophobicContact CB-CE2 4.08Å; F228-F230 PolarHBondContact O-N 3.37Å; F228-C236 HydrophobicContact CB-CB 4.36Å; F228-C236 WeakPolarHBondContact O-CB 3.45Å; F228-C236 PolarHBondContact O-N 3.42Å |
| 229 | G | 92.2 | Very high | 92.4 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | -2.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | D225 H227 S231 Q232 K234 | D225-G229 WeakPolarHBondContact OD2-CA 3.07Å; D225-G229 PolarHBondContact OD2-N 3.5Å; H227-G229 PolarHBondContact O-N 2.65Å; H227-G229 VanDerWaalsContact O-N 3.08Å; G229-S231 VanDerWaalsContact C-N 3.32Å; G229-S231 PolarHBondContact O-N 3.24Å; G229-Q232 PolarHBondContact O-N 3.46Å; G229-K234 CarbonylContact C-O 3.58Å; G229-K234 VanDerWaalsContact CA-O 3.27Å; G229-K234 WeakPolarHBondContact CA-O 3.44Å; G229-K234 CarbonylContact O-C 3.53Å; G229-K234 VanDerWaalsContact O-C 3.26Å; G229-K234 PolarHBondContact O-N 3.01Å |
| 230 | F | 92.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -63.2 | -35.8 | -179.9 | -74.5 | -79.2 | 0 | 0 | 0 | 113 | P146 I154 F156 W164 Y167 H227 F228 Q232 G233 P235 | P146-F230 HydrophobicContact CG-CZ 3.98Å; I154-F230 HydrophobicContact CG2-CE1 4.22Å; F156-F230 AromaticContact CD1-CD1 3.86Å; F156-F230 HydrophobicContact CD1-CD1 3.86Å; F156-F230 HydrophobicContact CD1-CE1 4.07Å; F156-F230 HydrophobicContact CD2-CD1 4.14Å; F156-F230 AromaticContact CE1-CD1 3.64Å; F156-F230 HydrophobicContact CE1-CD1 3.64Å; F156-F230 AromaticContact CE1-CE1 3.86Å; F156-F230 HydrophobicContact CE1-CE1 3.86Å; F156-F230 HydrophobicContact CE2-CB 4.37Å; F156-F230 AromaticContact CE2-CD1 3.94Å; F156-F230 HydrophobicContact CE2-CD1 3.94Å; F156-F230 WeakPolarHBondContact CE2-O 3.16Å; F156-F230 HydrophobicContact CG-CD1 4.11Å; F156-F230 AromaticContact CZ-CD1 3.69Å; F156-F230 HydrophobicContact CZ-CD1 3.69Å; F156-F230 HydrophobicContact CZ-CE1 4.32Å; W164-F230 HydrophobicContact CB-CB 3.64Å; W164-F230 HydrophobicContact CB-CD1 4.19Å; W164-F230 HydrophobicContact CB-CG 4.05Å; W164-F230 HydrophobicContact CD2-CB 4.15Å; W164-F230 HydrophobicContact CE3-CB 4.36Å; W164-F230 HydrophobicContact CG-CB 3.85Å; Y167-F230 HydrophobicContact CD2-CE1 4.28Å; Y167-F230 HydrophobicContact CG-CE1 4.29Å; Y167-F230 HydrophobicContact CG-CZ 4.34Å; H227-F230 WeakPolarHBondContact O-CB 3.42Å; H227-F230 VanDerWaalsContact O-CD2 3.23Å; H227-F230 WeakPolarHBondContact O-CD2 3.2Å; H227-F230 PolarHBondContact O-N 3.37Å; F228-F230 HydrophobicContact CB-CD2 4Å; F228-F230 HydrophobicContact CB-CE2 4.08Å; F228-F230 PolarHBondContact O-N 3.37Å; F230-Q232 PolarHBondContact O-N 3.04Å; F230-G233 PolarHBondContact O-N 3.33Å; F230-P235 HydrophobicContact CD1-CB 3.79Å; F230-P235 HydrophobicContact CE1-CB 3.58Å; F230-P235 HydrophobicContact CG-CB 4.46Å; F230-P235 HydrophobicContact CZ-CB 4.09Å |
| 231 | S | 90.8 | Very high | 92.5 | Very high | 44 Ų | 44 | 34.5 Ų | 34.5 | 31% | 0.308 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -66.7 | -21.7 | 178.2 | 57.1 | 0 | 0 | 0 | 0 | 113.8 | G229 | G229-S231 VanDerWaalsContact C-N 3.32Å; G229-S231 PolarHBondContact O-N 3.24Å |
| 232 | Q | 90.6 | Very high | 92.5 | Very high | 100 Ų | 100 | 37.4 Ų | 37.4 | 47% | 0.467 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -99.4 | 4.4 | -179.3 | -60.5 | 177.2 | 2.3 | 0 | 0 | 112.5 | G229 F230 K234 Y310 | G229-Q232 PolarHBondContact O-N 3.46Å; F230-Q232 PolarHBondContact O-N 3.04Å; Q232-K234 PolarHBondContact O-N 3.38Å; Q232-Y310 PolarHBondContact O-OH 3.5Å |
| 233 | G | 89.9 | Confident | 92.6 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 15.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F230 P235 | F230-G233 PolarHBondContact O-N 3.33Å; G233-P235 VanDerWaalsContact C-CD 3.45Å; G233-P235 VanDerWaalsContact O-CD 3.24Å; G233-P235 WeakPolarHBondContact O-CD 3.44Å |
| 234 | K | 92.3 | Very high | 92.8 | Very high | 76 Ų | 76 | 37.8 Ų | 37.8 | 33% | 0.33 | 18% | 0.184 | S | C | . | . | trans | -117.3 | 68.6 | -178 | -63.9 | -179.7 | -177.4 | -178.3 | 0 | 110.7 | G229 Q232 F305 N306 | G229-K234 CarbonylContact C-O 3.58Å; G229-K234 VanDerWaalsContact CA-O 3.27Å; G229-K234 WeakPolarHBondContact CA-O 3.44Å; G229-K234 CarbonylContact O-C 3.53Å; G229-K234 VanDerWaalsContact O-C 3.26Å; G229-K234 PolarHBondContact O-N 3.01Å; Q232-K234 PolarHBondContact O-N 3.38Å; K234-F305 VanDerWaalsContact CA-O 3.23Å; K234-F305 WeakPolarHBondContact CA-O 2.91Å; K234-F305 WeakPolarHBondContact CB-O 3.48Å; K234-N306 VanDerWaalsContact CE-O 3.3Å; K234-N306 WeakPolarHBondContact CE-O 3.47Å | ||
| 235 | P | 93.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -66.3 | 143.3 | -169.8 | 29.2 | -35.2 | 0 | 0 | 0 | 111.6 | F156 F230 G233 F305 L308 F342 | F156-P235 HydrophobicContact CE1-CB 4.02Å; F156-P235 HydrophobicContact CE1-CG 4.02Å; F156-P235 HydrophobicContact CZ-CB 3.93Å; F156-P235 HydrophobicContact CZ-CG 3.9Å; F230-P235 HydrophobicContact CD1-CB 3.79Å; F230-P235 HydrophobicContact CE1-CB 3.58Å; F230-P235 HydrophobicContact CG-CB 4.46Å; F230-P235 HydrophobicContact CZ-CB 4.09Å; G233-P235 VanDerWaalsContact C-CD 3.45Å; G233-P235 VanDerWaalsContact O-CD 3.24Å; G233-P235 WeakPolarHBondContact O-CD 3.44Å; P235-F305 HydrophobicContact CG-CB 4.45Å; P235-F305 WeakPolarHBondContact O-CD2 3.48Å; P235-F305 PolarHBondContact O-N 3.33Å; P235-L308 HydrophobicContact CG-CD2 4.27Å; P235-F342 HydrophobicContact CB-CE1 4.44Å; P235-F342 HydrophobicContact CG-CD1 4.46Å; P235-F342 HydrophobicContact CG-CE1 3.76Å; P235-F342 HydrophobicContact CG-CZ 4.2Å | ||
| 236 | C | 94.9 | Very high | 93 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 128.2 | 168.3 | -73.2 | 0 | 0 | 0 | 0 | 110.5 | M171 C220 F228 V303 | M171-C236 HydrophobicContact CE-CB 4.31Å; M171-C236 VanDerWaalsContact CE-O 3.26Å; M171-C236 WeakPolarHBondContact CE-O 3.36Å; C220-C236 WeakPolarHBondContact CA-SG 3.48Å; C220-C236 HydrophobicContact CB-CB 3.59Å; C220-C236 WeakPolarHBondContact CB-SG 3.2Å; C220-C236 WeakPolarHBondContact SG-CB 3.33Å; C220-C236 CovalentContact SG-SG 2.04Å; C220-C236 PolarHBondContact SG-SG 2.95Å; F228-C236 HydrophobicContact CB-CB 4.36Å; F228-C236 WeakPolarHBondContact O-CB 3.45Å; F228-C236 PolarHBondContact O-N 3.42Å; C236-V303 WeakPolarHBondContact CA-O 3.43Å |
| 237 | I | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130.5 | 175.9 | -53.8 | -56.1 | 0 | 0 | 0 | 109.4 | M144 S145 I154 L239 A302 V303 F305 F340 F342 | M144-I237 HydrophobicContact CB-CG2 4.07Å; M144-I237 HydrophobicContact SD-CG2 4.38Å; S145-I237 WeakPolarHBondContact O-CG2 3.24Å; I154-I237 HydrophobicContact CD1-CD1 3.3Å; I154-I237 HydrophobicContact CD1-CG1 4.29Å; I237-L239 HydrophobicContact CG2-CD2 4.12Å; I237-A302 CarbonylContact O-C 3.4Å; I237-A302 WeakPolarHBondContact O-CA 3.4Å; I237-V303 PolarHBondContact N-O 3.42Å; I237-V303 PolarHBondContact O-N 3.48Å; I237-F305 HydrophobicContact CB-CE2 4.03Å; I237-F305 HydrophobicContact CG1-CD2 4.1Å; I237-F305 HydrophobicContact CG1-CE2 3.57Å; I237-F340 HydrophobicContact CG1-CE2 4.22Å; I237-F340 HydrophobicContact CG1-CZ 4.48Å; I237-F340 HydrophobicContact CG2-CZ 4.18Å; I237-F342 HydrophobicContact CD1-CE1 4.18Å; I237-F342 HydrophobicContact CD1-CZ 4.17Å; I237-F342 HydrophobicContact CG1-CE1 4.35Å; I237-F342 HydrophobicContact CG1-CZ 3.83Å |
| 238 | L | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 130.4 | 175.6 | -58.2 | 178.8 | 0 | 0 | 0 | 109.8 | M144 S145 M171 L175 L217 V300 A302 | M144-L238 CarbonylContact C-O 3.34Å; M144-L238 VanDerWaalsContact CA-O 3.24Å; M144-L238 WeakPolarHBondContact CA-O 3.28Å; S145-L238 PolarHBondContact N-O 3.17Å; S145-L238 PolarHBondContact O-N 3.36Å; M171-L238 HydrophobicContact CE-CD1 3.92Å; M171-L238 HydrophobicContact CE-CD2 4.1Å; M171-L238 HydrophobicContact CE-CG 3.6Å; M171-L238 HydrophobicContact SD-CD1 3.71Å; M171-L238 HydrophobicContact SD-CG 3.7Å; L175-L238 HydrophobicContact CD1-CD1 4.19Å; L175-L238 HydrophobicContact CD2-CD1 3.76Å; L175-L238 HydrophobicContact CG-CD1 3.89Å; L217-L238 HydrophobicContact CD1-CD2 4.31Å; L238-V300 HydrophobicContact CB-CG1 3.74Å; L238-V300 HydrophobicContact CD1-CG1 4.42Å; L238-V300 HydrophobicContact CD2-CG1 3.92Å; L238-V300 HydrophobicContact CG-CG1 4.21Å; L238-A302 HydrophobicContact CD2-CB 3.69Å |
| 239 | L | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 131 | 178.6 | -62 | -177.9 | 0 | 0 | 0 | 109.3 | M142 M144 I237 V257 V301 V303 C318 V338 | M142-L239 HydrophobicContact CE-CB 3.54Å; M142-L239 HydrophobicContact CE-CD1 3.54Å; M142-L239 HydrophobicContact CE-CD2 3.97Å; M142-L239 HydrophobicContact CE-CG 3.86Å; M144-L239 HydrophobicContact CB-CD2 3.78Å; I237-L239 HydrophobicContact CG2-CD2 4.12Å; L239-V257 HydrophobicContact CD1-CG1 3.74Å; L239-V301 WeakPolarHBondContact CB-O 3.38Å; L239-V301 PolarHBondContact N-O 2.87Å; L239-V301 PolarHBondContact O-N 3.31Å; L239-V303 HydrophobicContact CD1-CB 4.49Å; L239-V303 HydrophobicContact CD1-CG2 3.33Å; L239-V303 HydrophobicContact CG-CG2 4.02Å; L239-C318 HydrophobicContact CD1-CB 3.99Å; L239-C318 HydrophobicContact CD2-CB 4.48Å; L239-V338 HydrophobicContact CD2-CG1 4.12Å |
| 240 | R | 94.6 | Very high | 92.4 | Very high | 60 Ų | 60 | 31.4 Ų | 31.4 | 23% | 0.226 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 135.9 | -177 | -178.3 | -179.8 | 177.5 | 164.1 | 8.1 | 110.5 | T143 A298 | T143-R240 PolarHBondContact N-O 3.2Å; T143-R240 PolarHBondContact O-N 3.36Å; T143-R240 PolarHBondContact OG1-O 3.02Å; R240-A298 HydrophobicContact CG-CB 4.39Å; R240-A298 VanDerWaalsContact NE-CB 3.35Å |
| 241 | M | 93.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 139.5 | 170 | -173.2 | 162.8 | 58.5 | 0 | 0 | 110.6 | P140 R243 P249 F280 Y285 L320 | P140-M241 HydrophobicContact CB-CG 3.86Å; P140-M241 HydrophobicContact CB-SD 4.05Å; P140-M241 HydrophobicContact CG-CG 4.29Å; P140-M241 HydrophobicContact CG-SD 3.8Å; M241-R243 PolarHBondContact O-N 3.04Å; M241-P249 HydrophobicContact CE-CB 4.01Å; M241-P249 HydrophobicContact CE-CG 4.15Å; M241-F280 HydrophobicContact CB-CE2 4.41Å; M241-F280 HydrophobicContact CB-CZ 4.38Å; M241-Y285 HydrophobicContact CE-CE1 3.6Å; M241-Y285 HydrophobicContact CE-CE2 3.91Å; M241-Y285 WeakPolarHBondContact CE-OH 3.39Å; M241-L320 HydrophobicContact CB-CD1 4.48Å; M241-L320 HydrophobicContact CG-CD1 4.03Å; M241-L320 HydrophobicContact SD-CD1 3.87Å |
| 242 | N | 93.9 | Very high | 91.8 | Very high | 64 Ų | 64 | 38.5 Ų | 38.5 | 34% | 0.342 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -65.4 | 128.3 | 176.2 | -73.1 | -5.5 | 0 | 0 | 0 | 110.2 | G141 T143 I244 | G141-N242 WeakPolarHBondContact O-CB 3.11Å; G141-N242 PolarHBondContact O-N 3.26Å; T143-N242 VanDerWaalsContact CG2-OD1 3.32Å; T143-N242 WeakPolarHBondContact CG2-OD1 3.47Å; N242-I244 PolarHBondContact O-N 3.14Å |
| 243 | R | 93.3 | Very high | 91.8 | Very high | 111 Ų | 111 | 36.8 Ų | 36.8 | 42% | 0.419 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -74 | 126.1 | 178 | 62.6 | -176.2 | 178 | -178.7 | -3.7 | 109.7 | M241 F287 Y296 | M241-R243 PolarHBondContact O-N 3.04Å; R243-F287 HydrophobicContact CB-CD1 4.05Å; R243-F287 HydrophobicContact CB-CE1 4.45Å; R243-F287 HydrophobicContact CB-CG 4.24Å; R243-F287 HydrophobicContact CG-CD1 4.2Å; R243-F287 HydrophobicContact CG-CE1 4.11Å; R243-Y296 HydrophobicContact CB-CE1 4.36Å |
| 244 | I | 93 | Very high | 91.9 | Very high | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | trans | -121.1 | 136.4 | 174.7 | -60.3 | 169.9 | 0 | 0 | 0 | 107.5 | V137 M138 P140 N242 G246 Y247 | V137-I244 HydrophobicContact CG2-CG2 3.95Å; V137-I244 WeakPolarHBondContact O-CD1 3.31Å; M138-I244 HydrophobicContact CG-CD1 4.43Å; P140-I244 HydrophobicContact CB-CD1 3.78Å; N242-I244 PolarHBondContact O-N 3.14Å; I244-G246 PolarHBondContact O-N 3.32Å; I244-Y247 HydrophobicContact CB-CG 4.22Å; I244-Y247 HydrophobicContact CD1-CG 4.45Å; I244-Y247 PolarHBondContact O-N 2.98Å | ||
| 245 | L | 92.8 | Very high | 91.9 | Very high | 40 Ų | 40 | 35.3 Ų | 35.3 | 21% | 0.209 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -65 | 128.7 | -178.5 | -168 | 146.5 | 0 | 0 | 0 | 110.4 | Y129 H130 Y247 F287 | Y129-L245 VanDerWaalsContact O-CD1 3.26Å; Y129-L245 WeakPolarHBondContact O-CD1 3.17Å; H130-L245 HydrophobicContact CB-CD2 4.13Å; L245-Y247 PolarHBondContact O-N 3.3Å; L245-Y247 VanDerWaalsContact O-N 3.17Å; L245-F287 CarbonylContact C-O 3.56Å; L245-F287 VanDerWaalsContact CA-O 3.26Å; L245-F287 WeakPolarHBondContact CA-O 3.12Å |
| 246 | G | 90.4 | Very high | 91.9 | Very high | 45 Ų | 45 | 38.2 Ų | 38.2 | 46% | 0.464 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 3.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | I244 F287 | I244-G246 PolarHBondContact O-N 3.32Å; G246-F287 PolarHBondContact N-O 3.43Å |
| 247 | Y | 91.7 | Very high | 92 | Very high | 29 Ų | 29 | 38.3 Ų | 38.3 | 11% | 0.114 | 21% | 0.21 | C | C | . | . | trans | -76.2 | 132 | -175.4 | -180 | -104.7 | 0 | 0 | 0 | 112.4 | M138 P140 I244 L245 P249 | M138-Y247 HydrophobicContact SD-CD2 4.44Å; P140-Y247 HydrophobicContact CB-CE1 4.35Å; P140-Y247 VanDerWaalsContact CD-CZ 3.4Å; P140-Y247 VanDerWaalsContact CD-OH 3.26Å; P140-Y247 WeakPolarHBondContact CD-OH 3.05Å; P140-Y247 HydrophobicContact CG-CD1 4.42Å; P140-Y247 HydrophobicContact CG-CE1 3.57Å; I244-Y247 HydrophobicContact CB-CG 4.22Å; I244-Y247 HydrophobicContact CD1-CG 4.45Å; I244-Y247 PolarHBondContact O-N 2.98Å; L245-Y247 PolarHBondContact O-N 3.3Å; L245-Y247 VanDerWaalsContact O-N 3.17Å; Y247-P249 HydrophobicContact CD1-CB 4.44Å; Y247-P249 HydrophobicContact CE1-CB 3.79Å; Y247-P249 HydrophobicContact CE1-CG 4.5Å; Y247-P249 WeakPolarHBondContact O-CD 3.01Å | ||
| 248 | L | 91.9 | Very high | 91.9 | Very high | 71 Ų | 71 | 40.7 Ų | 40.7 | 37% | 0.372 | 22% | 0.224 | S | C | . | . | trans | -112.9 | 98.7 | 179.5 | -63.7 | 176.8 | 0 | 0 | 0 | 110.2 | Y195 M197 P286 | Y195-L248 HydrophobicContact CD1-CD2 3.71Å; Y195-L248 HydrophobicContact CD2-CD2 4.31Å; Y195-L248 HydrophobicContact CE1-CB 4.15Å; Y195-L248 HydrophobicContact CE1-CD2 3.88Å; Y195-L248 HydrophobicContact CE2-CD2 4.46Å; Y195-L248 HydrophobicContact CG-CD2 3.91Å; M197-L248 HydrophobicContact SD-CD2 4.19Å; L248-P286 HydrophobicContact CD2-CB 3.84Å; L248-P286 HydrophobicContact CD2-CG 4.06Å | ||
| 249 | P | 90.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -68.1 | 136.6 | -176.1 | 24.1 | -32.3 | 0 | 0 | 0 | 113.1 | Y195 M241 Y247 Q251 V255 L282 Y285 | Y195-P249 PolarHBondContact OH-O 2.89Å; M241-P249 HydrophobicContact CE-CB 4.01Å; M241-P249 HydrophobicContact CE-CG 4.15Å; Y247-P249 HydrophobicContact CD1-CB 4.44Å; Y247-P249 HydrophobicContact CE1-CB 3.79Å; Y247-P249 HydrophobicContact CE1-CG 4.5Å; Y247-P249 WeakPolarHBondContact O-CD 3.01Å; P249-Q251 PolarHBondContact O-N 2.95Å; P249-Q251 VanDerWaalsContact O-N 3.14Å; P249-V255 HydrophobicContact CB-CG2 3.64Å; P249-L282 HydrophobicContact CG-CD2 4.34Å; P249-Y285 HydrophobicContact CG-CD1 3.96Å; P249-Y285 HydrophobicContact CG-CD2 3.48Å; P249-Y285 VanDerWaalsContact CG-CD2 3.48Å; P249-Y285 HydrophobicContact CG-CE1 4.31Å; P249-Y285 HydrophobicContact CG-CE2 3.86Å; P249-Y285 HydrophobicContact CG-CG 3.55Å |
| 250 | G | 83.8 | Confident | 91.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | 70 | 10.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | G252 T253 K323 | G250-G252 VanDerWaalsContact C-N 3.26Å; G250-G252 PolarHBondContact O-N 3.48Å; G250-T253 WeakPolarHBondContact CA-O 3.28Å; G250-T253 PolarHBondContact O-N 3.47Å; G250-T253 PolarHBondContact O-OG1 3.28Å; G250-K323 WeakPolarHBondContact CA-O 3.46Å |
| 251 | Q | 85.6 | Confident | 91.6 | Very high | 153 Ų | 153 | 42.2 Ų | 42.2 | 72% | 0.715 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | 49.2 | 43.4 | 176.8 | -64.3 | -178.9 | -18.6 | 0 | 0 | 113.5 | Y195 P249 | Y195-Q251 PolarHBondContact OH-N 3.36Å; P249-Q251 PolarHBondContact O-N 2.95Å; P249-Q251 VanDerWaalsContact O-N 3.14Å |
| 252 | G | 83.9 | Confident | 91.5 | Very high | 40 Ų | 40 | 47.4 Ų | 47.4 | 41% | 0.412 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | 95.5 | 0.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y195 G250 L282 | Y195-G252 PolarHBondContact OH-N 3.25Å; G250-G252 VanDerWaalsContact C-N 3.26Å; G250-G252 PolarHBondContact O-N 3.48Å; G252-L282 WeakPolarHBondContact O-CD1 3.39Å |
| 253 | T | 90.3 | Very high | 91.3 | Very high | 64 Ų | 64 | 51.3 Ų | 51.3 | 39% | 0.393 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -107.6 | 126.9 | 168.9 | 54.9 | 0 | 0 | 0 | 0 | 110.3 | G250 V255 | G250-T253 WeakPolarHBondContact CA-O 3.28Å; G250-T253 PolarHBondContact O-N 3.47Å; G250-T253 PolarHBondContact O-OG1 3.28Å; T253-V255 PolarHBondContact O-N 2.88Å |
| 254 | P | 91.6 | Very high | 91 | Very high | 48 Ų | 48 | 48.3 Ų | 48.3 | 31% | 0.312 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 132.7 | 176.3 | -24.5 | 32.5 | 0 | 0 | 0 | 111.5 | N256 I279 L282 | P254-N256 PolarHBondContact O-N 3.46Å; P254-I279 HydrophobicContact CB-CB 4.34Å; P254-I279 HydrophobicContact CB-CD1 4.23Å; P254-L282 HydrophobicContact CB-CG 4.49Å; P254-L282 HydrophobicContact CG-CD1 4.23Å; P254-L282 HydrophobicContact CG-CG 4.09Å |
| 255 | V | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 127.2 | 178.3 | 171.8 | 0 | 0 | 0 | 0 | 108.7 | P249 T253 I279 F280 L320 I325 | P249-V255 HydrophobicContact CB-CG2 3.64Å; T253-V255 PolarHBondContact O-N 2.88Å; V255-I279 CarbonylContact O-C 3.53Å; V255-I279 VanDerWaalsContact O-CA 3.31Å; V255-I279 WeakPolarHBondContact O-CA 3.5Å; V255-F280 HydrophobicContact CG1-CD2 4.44Å; V255-F280 PolarHBondContact O-N 2.95Å; V255-L320 HydrophobicContact CG1-CB 3.89Å; V255-L320 HydrophobicContact CG1-CD2 4.25Å; V255-I325 HydrophobicContact CB-CD1 4.17Å; V255-I325 HydrophobicContact CG1-CD1 3.41Å; V255-I325 VanDerWaalsContact CG1-CD1 3.41Å; V255-I325 HydrophobicContact CG2-CD1 3.6Å |
| 256 | N | 94.6 | Very high | 90.2 | Very high | 61 Ų | 61 | 54.4 Ų | 54.4 | 33% | 0.326 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 160.6 | 177.2 | 73.9 | 15.8 | 0 | 0 | 0 | 111.4 | P254 S278 I279 L320 N321 | P254-N256 PolarHBondContact O-N 3.46Å; N256-S278 CarbonylContact C-O 3.26Å; N256-S278 VanDerWaalsContact CA-O 3.25Å; N256-S278 WeakPolarHBondContact CA-O 3.5Å; N256-I279 HydrophobicContact CB-CG2 4.07Å; N256-L320 CarbonylContact O-C 3.6Å; N256-L320 WeakPolarHBondContact O-CA 3.26Å; N256-N321 PolarHBondContact N-O 2.95Å; N256-N321 PolarHBondContact O-N 2.81Å; N256-N321 WeakPolarHBondContact OD1-CA 3.46Å; N256-N321 WeakPolarHBondContact OD1-CB 3.21Å; N256-N321 VanDerWaalsContact OD1-CG 3.29Å; N256-N321 PolarHBondContact OD1-N 3.19Å; N256-N321 PolarHBondContact OD1-ND2 2.98Å; N256-N321 PolarHBondContact OD1-O 2.85Å |
| 257 | V | 95.3 | Very high | 89.8 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.012 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129.2 | 178.7 | -173.9 | 0 | 0 | 0 | 0 | 108.6 | M142 L239 F274 S278 F280 L320 | M142-V257 HydrophobicContact CE-CG1 3.68Å; L239-V257 HydrophobicContact CD1-CG1 3.74Å; V257-F274 HydrophobicContact CG1-CE1 4.31Å; V257-S278 PolarHBondContact N-O 2.84Å; V257-F280 HydrophobicContact CG2-CD2 3.83Å; V257-F280 HydrophobicContact CG2-CE2 3.31Å; V257-F280 HydrophobicContact CG2-CZ 4.13Å; V257-L320 HydrophobicContact CG2-CD2 3.88Å |
| 258 | T | 94.3 | Very high | 89.4 | Confident | 50 Ų | 50 | 58.5 Ų | 58.5 | 31% | 0.307 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 135.5 | 174.4 | 55 | 0 | 0 | 0 | 0 | 109.3 | C318 K319 N321 | T258-C318 CarbonylContact O-C 3.55Å; T258-C318 WeakPolarHBondContact O-CA 3.21Å; T258-K319 PolarHBondContact N-O 3.39Å; T258-K319 WeakPolarHBondContact O-CG 3.39Å; T258-K319 PolarHBondContact O-N 2.88Å; T258-K319 VanDerWaalsContact OG1-CE 3.23Å; T258-K319 WeakPolarHBondContact OG1-CE 3.23Å; T258-K319 WeakPolarHBondContact OG1-CG 3.19Å; T258-N321 WeakPolarHBondContact CG2-ND2 3.22Å; T258-N321 PolarHBondContact OG1-ND2 3.16Å |
| 259 | C | 94.1 | Very high | 89.1 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 14% | 0.142 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 142.7 | 176.4 | -60.1 | 0 | 0 | 0 | 0 | 109.4 | L272 F274 V316 K317 C318 | C259-L272 HydrophobicContact CB-CD1 3.84Å; C259-F274 HydrophobicContact CB-CZ 4.48Å; C259-V316 HydrophobicContact CB-CG1 4.23Å; C259-K317 WeakPolarHBondContact CA-O 3.41Å; C259-C318 HydrophobicContact CB-CB 4.11Å; C259-C318 WeakPolarHBondContact CB-SG 3.35Å; C259-C318 WeakPolarHBondContact SG-CB 3.3Å; C259-C318 CovalentContact SG-SG 2.04Å; C259-C318 PolarHBondContact SG-SG 3.45Å |
| 260 | G | 92.8 | Very high | 88.8 | Confident | 28 Ų | 28 | 57.3 Ų | 57.3 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 167.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | K262 V316 K317 | G260-K262 PolarHBondContact O-N 3.31Å; G260-V316 WeakPolarHBondContact O-CA 3.45Å; G260-K317 PolarHBondContact N-O 2.89Å; G260-K317 PolarHBondContact O-N 3.32Å |
| 261 | V | 93.8 | Very high | 89.1 | Confident | 43 Ų | 43 | 63.9 Ų | 63.9 | 26% | 0.261 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 126.9 | 178.4 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | K263 L269 | V261-K263 WeakPolarHBondContact CG1-O 3.46Å; V261-L269 HydrophobicContact CG2-CB 3.6Å; V261-L269 HydrophobicContact CG2-CD1 4.47Å; V261-L269 HydrophobicContact CG2-CD2 3.68Å; V261-L269 HydrophobicContact CG2-CG 4.12Å |
| 262 | K | 90.9 | Very high | 89.4 | Confident | 111 Ų | 111 | 58.3 Ų | 58.3 | 48% | 0.483 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -39.7 | 172.6 | -174.2 | -177.1 | -176.1 | 177.2 | 0 | 111.7 | G260 V315 K317 | G260-K262 PolarHBondContact O-N 3.31Å; K262-V315 HydrophobicContact CB-CG1 4.44Å; K262-V315 PolarHBondContact N-O 3.35Å; K262-K317 HydrophobicContact CB-CB 3.96Å; K262-K317 HydrophobicContact CD-CB 4.25Å; K262-K317 HydrophobicContact CD-CD 4.36Å |
| 263 | K | 89.8 | Confident | 89.9 | Confident | 145 Ų | 145 | 59.2 Ų | 59.2 | 63% | 0.63 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142 | 136.9 | 174.5 | -60.1 | -176 | 175.6 | -175.2 | 0 | 109.2 | V261 V315 | V261-K263 WeakPolarHBondContact CG1-O 3.46Å; K263-V315 HydrophobicContact CB-CB 3.98Å; K263-V315 HydrophobicContact CB-CG2 4.03Å; K263-V315 PolarHBondContact N-O 2.87Å; K263-V315 PolarHBondContact O-N 2.83Å |
| 264 | G | 86.2 | Confident | 90.2 | Very high | 48 Ų | 48 | 58.5 Ų | 58.5 | 50% | 0.495 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 117.3 | -177.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 265 | V | 85.1 | Confident | 90.3 | Very high | 83 Ų | 83 | 58.2 Ų | 58.2 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | trans | -76.9 | 128.1 | 177.8 | -174 | 0 | 0 | 0 | 0 | 108.8 | E267 S268 | V265-E267 HydrophobicContact CG1-CB 4.07Å; V265-E267 HydrophobicContact CG1-CG 4.48Å; V265-E267 PolarHBondContact O-N 2.94Å; V265-S268 PolarHBondContact O-N 3.46Å; V265-S268 PolarHBondContact O-OG 3.42Å | ||
| 266 | P | 83.6 | Confident | 90.3 | Very high | 100 Ų | 100 | 61.3 Ų | 61.3 | 65% | 0.649 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -59.7 | -33.7 | 179.5 | -26.7 | 35.5 | 0 | 0 | 0 | 113.9 | S268 L269 | P266-S268 PolarHBondContact O-N 3.24Å; P266-L269 PolarHBondContact O-N 2.9Å |
| 267 | E | 84 | Confident | 90.2 | Very high | 158 Ų | 158 | 65 Ų | 65 | 74% | 0.738 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -67.3 | -22.7 | -178.6 | -62.4 | 173 | -179.5 | 0 | 0 | 113.2 | V265 L269 | V265-E267 HydrophobicContact CG1-CB 4.07Å; V265-E267 HydrophobicContact CG1-CG 4.48Å; V265-E267 PolarHBondContact O-N 2.94Å; E267-L269 VanDerWaalsContact C-N 3.29Å; E267-L269 PolarHBondContact O-N 2.93Å |
| 268 | S | 82.3 | Confident | 90.2 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.007 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -78.5 | -10.5 | -177.6 | 64.1 | 0 | 0 | 0 | 0 | 114.1 | V265 P266 L308 Q309 I314 | V265-S268 PolarHBondContact O-N 3.46Å; V265-S268 PolarHBondContact O-OG 3.42Å; P266-S268 PolarHBondContact O-N 3.24Å; S268-L308 WeakPolarHBondContact O-CA 3.49Å; S268-Q309 PolarHBondContact O-N 3.44Å; S268-I314 WeakPolarHBondContact OG-CG2 3.27Å |
| 269 | L | 84.9 | Confident | 90.2 | Very high | 11 Ų | 11 | 67.3 Ų | 67.3 | 6% | 0.058 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -79.2 | -31.8 | 175.7 | -169.2 | 64 | 0 | 0 | 0 | 112.5 | V261 P266 E267 L272 F305 G307 L308 I314 V316 | V261-L269 HydrophobicContact CG2-CB 3.6Å; V261-L269 HydrophobicContact CG2-CD1 4.47Å; V261-L269 HydrophobicContact CG2-CD2 3.68Å; V261-L269 HydrophobicContact CG2-CG 4.12Å; P266-L269 PolarHBondContact O-N 2.9Å; E267-L269 VanDerWaalsContact C-N 3.29Å; E267-L269 PolarHBondContact O-N 2.93Å; L269-L272 HydrophobicContact CD1-CD2 4.39Å; L269-L272 HydrophobicContact CD2-CD1 4.14Å; L269-L272 HydrophobicContact CD2-CD2 4.34Å; L269-L272 HydrophobicContact CD2-CG 4.47Å; L269-L272 HydrophobicContact CG-CD2 4.08Å; L269-F305 HydrophobicContact CD1-CD1 3.63Å; L269-F305 HydrophobicContact CD1-CE1 3.7Å; L269-F305 HydrophobicContact CG-CD1 4.44Å; L269-G307 CarbonylContact C-O 3.59Å; L269-L308 HydrophobicContact CD1-CD1 4.48Å; L269-I314 HydrophobicContact CD1-CD1 3.69Å; L269-V316 HydrophobicContact CD1-CG1 4.46Å; L269-V316 HydrophobicContact CD1-CG2 3.45Å; L269-V316 VanDerWaalsContact CD1-CG2 3.45Å |
| 270 | G | 85.1 | Confident | 90.1 | Very high | 37 Ų | 37 | 66.4 Ų | 66.4 | 38% | 0.381 | 36% | 0.364 | S | S | . | . | trans | 61.4 | -160.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | G307 | G270-G307 WeakPolarHBondContact CA-O 3.41Å; G270-G307 PolarHBondContact N-O 3.48Å | ||
| 271 | E | 88.7 | Confident | 90.2 | Very high | 137 Ų | 137 | 66.3 Ų | 66.3 | 64% | 0.64 | 36% | 0.356 | S | S | * | . | trans | -76.3 | 134.9 | 179.1 | -167.5 | -175.8 | 167.7 | 0 | 0 | 111.7 | N306 | E271-N306 PolarHBondContact O-N 2.82Š| ||
| 272 | L | 93 | Very high | 90.1 | Very high | 37 Ų | 37 | 64.3 Ų | 64.3 | 19% | 0.194 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 135.3 | 178.5 | -59.7 | 177.6 | 0 | 0 | 0 | 110.6 | C259 L269 F274 V303 F305 | C259-L272 HydrophobicContact CB-CD1 3.84Å; L269-L272 HydrophobicContact CD1-CD2 4.39Å; L269-L272 HydrophobicContact CD2-CD1 4.14Å; L269-L272 HydrophobicContact CD2-CD2 4.34Å; L269-L272 HydrophobicContact CD2-CG 4.47Å; L269-L272 HydrophobicContact CG-CD2 4.08Å; L272-F274 HydrophobicContact CB-CE2 4.07Å; L272-V303 HydrophobicContact CB-CG1 4.48Å; L272-V303 HydrophobicContact CD2-CG1 4.28Å; L272-F305 HydrophobicContact CD2-CD1 3.21Å; L272-F305 HydrophobicContact CD2-CE1 3.35Å; L272-F305 HydrophobicContact CD2-CG 4.05Å; L272-F305 HydrophobicContact CD2-CZ 4.27Å |
| 273 | Q | 94.6 | Very high | 90.2 | Very high | 59 Ų | 59 | 59.7 Ų | 59.7 | 28% | 0.276 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133.3 | 174 | -66.8 | -179.9 | -4.8 | 0 | 0 | 110.5 | F275 V303 R304 N306 | Q273-F275 HydrophobicContact CB-CE2 4.19Å; Q273-F275 HydrophobicContact CB-CZ 4.39Å; Q273-V303 CarbonylContact O-C 3.41Å; Q273-V303 WeakPolarHBondContact O-CA 3.34Å; Q273-R304 HydrophobicContact CB-CB 4.38Å; Q273-R304 PolarHBondContact N-O 2.84Å; Q273-R304 PolarHBondContact O-N 3.4Å; Q273-N306 PolarHBondContact NE2-ND2 3.43Å; Q273-N306 PolarHBondContact OE1-ND2 2.9Å; Q273-N306 VanDerWaalsContact OE1-ND2 3.09Å |
| 274 | F | 95.6 | Very high | 90.4 | Very high | 49 Ų | 49 | 53.2 Ų | 53.2 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 135.4 | -177.8 | -67 | -94.6 | 0 | 0 | 0 | 110.5 | V257 C259 L272 V301 A302 V303 | V257-F274 HydrophobicContact CG1-CE1 4.31Å; C259-F274 HydrophobicContact CB-CZ 4.48Å; L272-F274 HydrophobicContact CB-CE2 4.07Å; F274-V301 HydrophobicContact CD1-CG1 3.94Å; F274-A302 CarbonylContact C-O 3.5Å; F274-A302 WeakPolarHBondContact CA-O 3.43Å; F274-V303 HydrophobicContact CD1-CB 4.45Å; F274-V303 HydrophobicContact CD1-CG1 4.45Å; F274-V303 HydrophobicContact CD1-CG2 3.51Å; F274-V303 HydrophobicContact CE1-CB 4.31Å; F274-V303 HydrophobicContact CE1-CG1 4.06Å; F274-V303 HydrophobicContact CE1-CG2 3.34Å; F274-V303 HydrophobicContact CZ-CG1 4.22Å; F274-V303 HydrophobicContact CZ-CG2 4.27Å |
| 275 | F | 95.2 | Very high | 90.8 | Very high | 42 Ų | 42 | 51.2 Ų | 51.2 | 18% | 0.184 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 137.3 | 176.6 | -59.3 | -78.9 | 0 | 0 | 0 | 111.7 | L217 Q273 A302 R304 | L217-F275 WeakPolarHBondContact O-CB 3.26Å; Q273-F275 HydrophobicContact CB-CE2 4.19Å; Q273-F275 HydrophobicContact CB-CZ 4.39Å; F275-A302 HydrophobicContact CB-CB 4.36Å; F275-A302 PolarHBondContact N-O 2.97Å; F275-A302 PolarHBondContact O-N 3.31Å; F275-R304 HydrophobicContact CE2-CB 4.14Å |
| 276 | P | 93.1 | Very high | 91.2 | Very high | 65 Ų | 65 | 47.6 Ų | 47.6 | 42% | 0.422 | 25% | 0.252 | S | S | . | . | S | Bend | cis | -70.7 | -33.9 | -11.3 | 25.1 | -31.8 | 0 | 0 | 0 | 113.2 | W216 | W216-P276 HydrophobicContact CB-CB 4.26Å; W216-P276 HydrophobicContact CB-CG 4.26Å; W216-P276 WeakPolarHBondContact O-CA 3.48Å; W216-P276 WeakPolarHBondContact O-CB 3.47Å |
| 277 | K | 92.7 | Very high | 91.7 | Very high | 138 Ų | 138 | 43.4 Ų | 43.4 | 60% | 0.6 | 22% | 0.224 | S | C | * | . | trans | -143.3 | 160.1 | 176.4 | -65.2 | -177.7 | -179.3 | 178.1 | 0 | 107.8 | I279 | K277-I279 HydrophobicContact CB-CG1 3.8Å; K277-I279 HydrophobicContact CD-CD1 4.14Å; K277-I279 HydrophobicContact CD-CG1 4.26Å; K277-I279 PolarHBondContact O-N 3.44Å | ||
| 278 | S | 93.8 | Very high | 92.1 | Very high | 47 Ų | 47 | 36.6 Ų | 36.6 | 33% | 0.329 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -75.5 | 28.9 | 173.8 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | N256 V257 | N256-S278 CarbonylContact C-O 3.26Å; N256-S278 VanDerWaalsContact CA-O 3.25Å; N256-S278 WeakPolarHBondContact CA-O 3.5Å; V257-S278 PolarHBondContact N-O 2.84Å |
| 279 | I | 94.1 | Very high | 92.6 | Very high | 53 Ų | 53 | 37 Ų | 37 | 27% | 0.272 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 147.7 | -176.6 | 64.5 | 169.4 | 0 | 0 | 0 | 111.8 | P254 V255 N256 K277 | P254-I279 HydrophobicContact CB-CB 4.34Å; P254-I279 HydrophobicContact CB-CD1 4.23Å; V255-I279 CarbonylContact O-C 3.53Å; V255-I279 VanDerWaalsContact O-CA 3.31Å; V255-I279 WeakPolarHBondContact O-CA 3.5Å; N256-I279 HydrophobicContact CB-CG2 4.07Å; K277-I279 HydrophobicContact CB-CG1 3.8Å; K277-I279 HydrophobicContact CD-CD1 4.14Å; K277-I279 HydrophobicContact CD-CG1 4.26Å; K277-I279 PolarHBondContact O-N 3.44Å |
| 280 | F | 93.7 | Very high | 93 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 113.1 | 165.5 | -68.4 | -72.8 | 0 | 0 | 0 | 109.3 | M241 V255 V257 Y285 P299 V301 L320 | M241-F280 HydrophobicContact CB-CE2 4.41Å; M241-F280 HydrophobicContact CB-CZ 4.38Å; V255-F280 HydrophobicContact CG1-CD2 4.44Å; V255-F280 PolarHBondContact O-N 2.95Å; V257-F280 HydrophobicContact CG2-CD2 3.83Å; V257-F280 HydrophobicContact CG2-CE2 3.31Å; V257-F280 HydrophobicContact CG2-CZ 4.13Å; F280-Y285 HydrophobicContact CB-CE2 4.46Å; F280-P299 HydrophobicContact CD1-CB 3.98Å; F280-P299 HydrophobicContact CD1-CG 3.82Å; F280-P299 WeakPolarHBondContact CE1-O 3.37Å; F280-V301 HydrophobicContact CD1-CG2 4.1Å; F280-V301 HydrophobicContact CE1-CB 4.48Å; F280-V301 HydrophobicContact CE1-CG2 3.73Å; F280-V301 HydrophobicContact CE2-CG2 4.38Å; F280-V301 HydrophobicContact CZ-CB 4.37Å; F280-V301 HydrophobicContact CZ-CG2 3.88Å; F280-L320 HydrophobicContact CD2-CD2 4.08Å; F280-L320 HydrophobicContact CE2-CD2 3.5Å; F280-L320 VanDerWaalsContact CE2-CD2 3.5Å |
| 281 | N | 93.2 | Very high | 93.3 | Very high | 26 Ų | 26 | 47.9 Ų | 47.9 | 14% | 0.139 | 24% | 0.237 | C | C | . | . | trans | -66.6 | 138 | -179.8 | -161.8 | -48.6 | 0 | 0 | 0 | 110.7 | D193 M283 Y284 | D193-N281 PolarHBondContact N-OD1 3.5Å; D193-N281 PolarHBondContact OD1-ND2 3.29Å; N281-M283 HydrophobicContact CB-CE 4.42Å; N281-M283 HydrophobicContact CB-CG 4.17Å; N281-M283 PolarHBondContact O-N 2.94Å; N281-M283 PolarHBondContact OD1-N 2.84Å; N281-M283 VanDerWaalsContact OD1-N 3.14Å; N281-Y284 HydrophobicContact CB-CD2 4.26Å; N281-Y284 HydrophobicContact CB-CE2 4.3Å; N281-Y284 PolarHBondContact O-N 3.33Å | ||
| 282 | L | 93.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -63.6 | -24.3 | -177.9 | -59.5 | 178.1 | 0 | 0 | 0 | 112.9 | A194 Y195 P249 G252 P254 Y284 Y285 | A194-L282 CarbonylContact O-C 3.53Å; Y195-L282 HydrophobicContact CD1-CB 3.93Å; Y195-L282 HydrophobicContact CD1-CD2 4.48Å; Y195-L282 HydrophobicContact CE1-CB 4.02Å; Y195-L282 HydrophobicContact CE1-CD1 4.48Å; Y195-L282 HydrophobicContact CE1-CD2 3.71Å; Y195-L282 HydrophobicContact CE1-CG 4.27Å; P249-L282 HydrophobicContact CG-CD2 4.34Å; G252-L282 WeakPolarHBondContact O-CD1 3.39Å; P254-L282 HydrophobicContact CB-CG 4.49Å; P254-L282 HydrophobicContact CG-CD1 4.23Å; P254-L282 HydrophobicContact CG-CG 4.09Å; L282-Y284 PolarHBondContact O-N 3.22Å; L282-Y285 PolarHBondContact O-N 2.9Å |
| 283 | M | 93.1 | Very high | 93.3 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 6% | 0.064 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -59.1 | -22.8 | -178.5 | 72.9 | -174.8 | -178.6 | 0 | 0 | 114.3 | C190 P191 Q192 A194 F196 C210 N281 Y285 | C190-M283 HydrophobicContact CB-CB 4.12Å; C190-M283 HydrophobicContact CB-CG 4.42Å; C190-M283 HydrophobicContact CB-SD 4.21Å; P191-M283 WeakPolarHBondContact O-CB 3.14Å; Q192-M283 HydrophobicContact CG-SD 4.34Å; A194-M283 WeakPolarHBondContact O-CA 3.38Å; A194-M283 PolarHBondContact O-N 3.45Å; A194-M283 VanDerWaalsContact O-N 3.12Å; F196-M283 WeakPolarHBondContact CB-O 3.47Å; C210-M283 PolarHBondContact SG-O 2.77Å; N281-M283 HydrophobicContact CB-CE 4.42Å; N281-M283 HydrophobicContact CB-CG 4.17Å; N281-M283 PolarHBondContact O-N 2.94Å; N281-M283 PolarHBondContact OD1-N 2.84Å; N281-M283 VanDerWaalsContact OD1-N 3.14Å; M283-Y285 PolarHBondContact O-N 3.44Å |
| 284 | Y | 93.9 | Very high | 93.1 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -81.6 | -0.9 | 177.1 | -65.6 | -74.4 | 0 | 0 | 0 | 114.5 | C210 Q211 F212 W216 N281 L282 Y296 P299 | C210-Y284 HydrophobicContact CB-CD1 3.88Å; C210-Y284 HydrophobicContact CB-CE1 3.75Å; Q211-Y284 PolarHBondContact O-OH 3.5Å; F212-Y284 HydrophobicContact CB-CE1 3.98Å; F212-Y284 HydrophobicContact CD2-CE1 4.43Å; F212-Y284 HydrophobicContact CD2-CE2 4.19Å; F212-Y284 AromaticContact CD2-CZ 3.75Å; F212-Y284 WeakPolarHBondContact CD2-OH 3.48Å; W216-Y284 VanDerWaalsContact CZ3-OH 3.3Å; W216-Y284 WeakPolarHBondContact CZ3-OH 3.3Å; N281-Y284 HydrophobicContact CB-CD2 4.26Å; N281-Y284 HydrophobicContact CB-CE2 4.3Å; N281-Y284 PolarHBondContact O-N 3.33Å; L282-Y284 PolarHBondContact O-N 3.22Å; Y284-Y296 VanDerWaalsContact O-CE2 3.26Å; Y284-Y296 WeakPolarHBondContact O-CE2 3.36Å; Y284-Y296 PolarHBondContact O-OH 3.22Å; Y284-P299 HydrophobicContact CD2-CB 3.56Å; Y284-P299 HydrophobicContact CD2-CG 3.77Å; Y284-P299 HydrophobicContact CE2-CB 3.84Å; Y284-P299 HydrophobicContact CG-CB 3.93Å; Y284-P299 HydrophobicContact CG-CG 3.81Å |
| 285 | Y | 93.9 | Very high | 93 | Very high | 6 Ų | 6 | 42.5 Ų | 42.5 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | trans | -122.9 | 147.2 | -176.8 | -57.5 | -81.8 | 0 | 0 | 0 | 109.8 | F196 M241 P249 F280 L282 M283 P299 | F196-Y285 PolarHBondContact N-O 2.86Å; M241-Y285 HydrophobicContact CE-CE1 3.6Å; M241-Y285 HydrophobicContact CE-CE2 3.91Å; M241-Y285 WeakPolarHBondContact CE-OH 3.39Å; P249-Y285 HydrophobicContact CG-CD1 3.96Å; P249-Y285 HydrophobicContact CG-CD2 3.48Å; P249-Y285 VanDerWaalsContact CG-CD2 3.48Å; P249-Y285 HydrophobicContact CG-CE1 4.31Å; P249-Y285 HydrophobicContact CG-CE2 3.86Å; P249-Y285 HydrophobicContact CG-CG 3.55Å; F280-Y285 HydrophobicContact CB-CE2 4.46Å; L282-Y285 PolarHBondContact O-N 2.9Å; M283-Y285 PolarHBondContact O-N 3.44Å; Y285-P299 HydrophobicContact CE2-CG 4.14Å; Y285-P299 WeakPolarHBondContact OH-CG 3.49Å | ||
| 286 | P | 94.1 | Very high | 92.9 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 5% | 0.045 | 21% | 0.212 | C | C | . | . | S | Bend | cis | -81.5 | 162.1 | 2.7 | 31.5 | -33.8 | 0 | 0 | 0 | 114.3 | M197 L248 Y288 | M197-P286 HydrophobicContact SD-CG 3.85Å; L248-P286 HydrophobicContact CD2-CB 3.84Å; L248-P286 HydrophobicContact CD2-CG 4.06Å; P286-Y288 HydrophobicContact CG-CE1 4.48Å; P286-Y288 HydrophobicContact CG-CE2 3.87Å |
| 287 | F | 94.1 | Very high | 92.9 | Very high | 13 Ų | 13 | 38.7 Ų | 38.7 | 6% | 0.057 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -88.6 | 124.2 | 171.6 | 175.3 | -118.9 | 0 | 0 | 0 | 110.6 | R243 L245 G246 G289 H293 Y296 | R243-F287 HydrophobicContact CB-CD1 4.05Å; R243-F287 HydrophobicContact CB-CE1 4.45Å; R243-F287 HydrophobicContact CB-CG 4.24Å; R243-F287 HydrophobicContact CG-CD1 4.2Å; R243-F287 HydrophobicContact CG-CE1 4.11Å; L245-F287 CarbonylContact C-O 3.56Å; L245-F287 VanDerWaalsContact CA-O 3.26Å; L245-F287 WeakPolarHBondContact CA-O 3.12Å; G246-F287 PolarHBondContact N-O 3.43Å; F287-G289 VanDerWaalsContact CE1-CA 3.47Å; F287-G289 VanDerWaalsContact CZ-CA 3.47Å; F287-H293 HydrophobicContact CD2-CB 4.37Å; F287-H293 AromaticContact CD2-ND1 3.69Å; F287-H293 HydrophobicContact CE2-CB 4.05Å; F287-Y296 AromaticContact CD2-CD1 3.36Å; F287-Y296 HydrophobicContact CD2-CD1 3.36Å; F287-Y296 HydrophobicContact CD2-CD2 4.26Å; F287-Y296 AromaticContact CD2-CE1 3.58Å; F287-Y296 HydrophobicContact CD2-CE1 3.58Å; F287-Y296 HydrophobicContact CD2-CE2 4.41Å; F287-Y296 AromaticContact CD2-CG 3.7Å; F287-Y296 HydrophobicContact CD2-CG 3.7Å; F287-Y296 AromaticContact CE2-CD1 3.47Å; F287-Y296 HydrophobicContact CE2-CD1 3.47Å; F287-Y296 VanDerWaalsContact CE2-CD1 3.47Å; F287-Y296 HydrophobicContact CE2-CE1 4.11Å; F287-Y296 AromaticContact CE2-CG 3.84Å; F287-Y296 HydrophobicContact CE2-CG 3.84Å; F287-Y296 HydrophobicContact CG-CD1 4.4Å; F287-Y296 HydrophobicContact CG-CE1 4.24Å |
| 288 | Y | 92.9 | Very high | 93 | Very high | 15 Ų | 15 | 32.1 Ų | 32.1 | 6% | 0.059 | 17% | 0.166 | C | C | . | . | trans | -91.1 | 11 | -176.8 | -70.8 | -81.1 | 0 | 0 | 0 | 115.5 | Q198 D199 R207 P286 R292 | Q198-Y288 HydrophobicContact CB-CE2 4.27Å; Q198-Y288 PolarHBondContact N-OH 3Å; D199-Y288 PolarHBondContact OD1-OH 2.82Å; R207-Y288 HydrophobicContact CB-CD2 4.26Å; R207-Y288 HydrophobicContact CB-CG 4.42Å; R207-Y288 HydrophobicContact CG-CD1 4.44Å; R207-Y288 HydrophobicContact CG-CD2 4.16Å; R207-Y288 HydrophobicContact CG-CG 3.89Å; P286-Y288 HydrophobicContact CG-CE1 4.48Å; P286-Y288 HydrophobicContact CG-CE2 3.87Å; Y288-R292 PolarHBondContact O-NE 2.94Å; Y288-R292 PolarHBondContact O-NH2 2.65Å; Y288-R292 VanDerWaalsContact O-NH2 3.14Å | ||
| 289 | G | 92.5 | Very high | 93 | Very high | 9 Ų | 9 | 30 Ų | 30 | 9% | 0.093 | 15% | 0.152 | C | C | . | . | trans | 89.6 | 157.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F287 L291 R292 H293 | F287-G289 VanDerWaalsContact CE1-CA 3.47Å; F287-G289 VanDerWaalsContact CZ-CA 3.47Å; G289-L291 VanDerWaalsContact C-N 3.33Å; G289-L291 PolarHBondContact O-N 3.3Å; G289-R292 PolarHBondContact O-N 3.42Å; G289-H293 WeakPolarHBondContact O-CA 3.48Å; G289-H293 WeakPolarHBondContact O-CB 3.37Å; G289-H293 PolarHBondContact O-N 3.39Å | ||
| 290 | K | 92.6 | Very high | 93.1 | Very high | 161 Ų | 161 | 27.6 Ų | 27.6 | 70% | 0.7 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -32.8 | -172.3 | -174.2 | -177.8 | 175.1 | -171.7 | 0 | 113.3 | ||
| 291 | L | 91.7 | Very high | 93.2 | Very high | 115 Ų | 115 | 27.6 Ų | 27.6 | 60% | 0.602 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -40.4 | -178.2 | -72.1 | 172.9 | 0 | 0 | 0 | 112.4 | P128 G289 V294 | P128-L291 HydrophobicContact CB-CD1 3.93Å; P128-L291 WeakPolarHBondContact O-CD1 3.2Å; G289-L291 VanDerWaalsContact C-N 3.33Å; G289-L291 PolarHBondContact O-N 3.3Å; L291-V294 WeakPolarHBondContact O-CG2 3.43Å |
| 292 | R | 91.1 | Very high | 93.3 | Very high | 24 Ų | 24 | 26.4 Ų | 26.4 | 9% | 0.091 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -33.4 | -178.1 | -56.6 | -178.4 | -70.1 | 167.8 | -14.2 | 112.3 | Y129 E203 E206 R207 Y288 G289 V294 | Y129-R292 HydrophobicContact CD1-CG 3.57Å; Y129-R292 HydrophobicContact CE1-CG 4Å; Y129-R292 HydrophobicContact CG-CG 4.47Å; Y129-R292 PolarHBondContact O-NH2 2.89Å; E203-R292 WeakPolarHBondContact O-CD 3.43Å; E206-R292 WeakPolarHBondContact CA-O 3.21Å; R207-R292 HydrophobicContact CG-CB 3.99Å; R207-R292 PolarHBondContact N-O 3.47Å; Y288-R292 PolarHBondContact O-NE 2.94Å; Y288-R292 PolarHBondContact O-NH2 2.65Å; Y288-R292 VanDerWaalsContact O-NH2 3.14Å; G289-R292 PolarHBondContact O-N 3.42Å; R292-V294 PolarHBondContact O-N 3.42Å |
| 293 | H | 91.3 | Very high | 93.5 | Very high | 9 Ų | 9 | 26.3 Ų | 26.3 | 4% | 0.042 | 13% | 0.132 | C | C | . | . | trans | -106.1 | 60.6 | -173.7 | -150 | -178.4 | 0 | 0 | 0 | 110.5 | R207 K208 S209 F287 G289 N295 Y296 | R207-H293 PolarHBondContact O-CD2 2.82Å; K208-H293 PolarHBondContact O-NE2 2.89Å; S209-H293 WeakPolarHBondContact CA-NE2 3.33Å; S209-H293 WeakPolarHBondContact CB-NE2 3.23Å; S209-H293 PolarHBondContact OG-CD2 3.38Å; S209-H293 PolarHBondContact OG-NE2 3.05Å; F287-H293 HydrophobicContact CD2-CB 4.37Å; F287-H293 AromaticContact CD2-ND1 3.69Å; F287-H293 HydrophobicContact CE2-CB 4.05Å; G289-H293 WeakPolarHBondContact O-CA 3.48Å; G289-H293 WeakPolarHBondContact O-CB 3.37Å; G289-H293 PolarHBondContact O-N 3.39Å; H293-N295 PolarHBondContact O-N 2.92Å; H293-Y296 AromaticContact CE1-CD2 3.07Å; H293-Y296 WeakPolarHBondContact CE1-CD2 3.32Å; H293-Y296 AromaticContact CE1-CE2 3.73Å; H293-Y296 AromaticContact CE1-CG 3.77Å; H293-Y296 AromaticContact ND1-CD2 3.42Å; H293-Y296 WeakPolarHBondContact ND1-CD2 3.19Å; H293-Y296 AromaticContact ND1-CG 3.66Å; H293-Y296 AromaticContact NE2-CD2 3.6Å; H293-Y296 VanDerWaalsContact O-CB 3.3Å; H293-Y296 WeakPolarHBondContact O-CB 3.42Å; H293-Y296 PolarHBondContact O-N 3.2Å | ||
| 294 | V | 90.3 | Very high | 93.5 | Very high | 86 Ų | 86 | 26.8 Ų | 26.8 | 52% | 0.521 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -41.3 | -165.6 | -176.8 | 0 | 0 | 0 | 0 | 112.7 | L291 R292 | L291-V294 WeakPolarHBondContact O-CG2 3.43Å; R292-V294 PolarHBondContact O-N 3.42Å |
| 295 | N | 92.4 | Very high | 93.5 | Very high | 51 Ų | 51 | 26.3 Ų | 26.3 | 27% | 0.273 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 15.6 | -176.7 | -63.2 | -40.9 | 0 | 0 | 0 | 113.8 | R186 N187 S209 H293 T297 | R186-N295 HydrophobicContact CB-CB 4.14Å; N187-N295 PolarHBondContact ND2-O 3.24Å; N187-N295 WeakPolarHBondContact OD1-CB 2.99Å; N187-N295 PolarHBondContact OD1-O 3.27Å; S209-N295 VanDerWaalsContact OG-C 3.3Å; H293-N295 PolarHBondContact O-N 2.92Å; N295-T297 PolarHBondContact O-N 3.13Å |
| 296 | Y | 94 | Very high | 93.3 | Very high | 16 Ų | 16 | 27.7 Ų | 27.7 | 6% | 0.063 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 118.8 | -177.1 | -178.7 | -106.2 | 0 | 0 | 0 | 112.5 | S209 R243 Y284 F287 H293 A298 | S209-Y296 WeakPolarHBondContact OG-CA 3.37Å; S209-Y296 PolarHBondContact OG-N 3.3Å; S209-Y296 VanDerWaalsContact OG-N 3.13Å; R243-Y296 HydrophobicContact CB-CE1 4.36Å; Y284-Y296 VanDerWaalsContact O-CE2 3.26Å; Y284-Y296 WeakPolarHBondContact O-CE2 3.36Å; Y284-Y296 PolarHBondContact O-OH 3.22Å; F287-Y296 AromaticContact CD2-CD1 3.36Å; F287-Y296 HydrophobicContact CD2-CD1 3.36Å; F287-Y296 HydrophobicContact CD2-CD2 4.26Å; F287-Y296 AromaticContact CD2-CE1 3.58Å; F287-Y296 HydrophobicContact CD2-CE1 3.58Å; F287-Y296 HydrophobicContact CD2-CE2 4.41Å; F287-Y296 AromaticContact CD2-CG 3.7Å; F287-Y296 HydrophobicContact CD2-CG 3.7Å; F287-Y296 AromaticContact CE2-CD1 3.47Å; F287-Y296 HydrophobicContact CE2-CD1 3.47Å; F287-Y296 VanDerWaalsContact CE2-CD1 3.47Å; F287-Y296 HydrophobicContact CE2-CE1 4.11Å; F287-Y296 AromaticContact CE2-CG 3.84Å; F287-Y296 HydrophobicContact CE2-CG 3.84Å; F287-Y296 HydrophobicContact CG-CD1 4.4Å; F287-Y296 HydrophobicContact CG-CE1 4.24Å; H293-Y296 AromaticContact CE1-CD2 3.07Å; H293-Y296 WeakPolarHBondContact CE1-CD2 3.32Å; H293-Y296 AromaticContact CE1-CE2 3.73Å; H293-Y296 AromaticContact CE1-CG 3.77Å; H293-Y296 AromaticContact ND1-CD2 3.42Å; H293-Y296 WeakPolarHBondContact ND1-CD2 3.19Å; H293-Y296 AromaticContact ND1-CG 3.66Å; H293-Y296 AromaticContact NE2-CD2 3.6Å; H293-Y296 VanDerWaalsContact O-CB 3.3Å; H293-Y296 WeakPolarHBondContact O-CB 3.42Å; H293-Y296 PolarHBondContact O-N 3.2Å; Y296-A298 HydrophobicContact CE1-CB 3.98Å |
| 297 | T | 93.3 | Very high | 92.9 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 6% | 0.061 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -102.2 | 126.9 | 166.3 | 42.2 | 0 | 0 | 0 | 0 | 109.1 | Y178 Q183 N295 | Y178-T297 HydrophobicContact CD1-CG2 4.21Å; Y178-T297 HydrophobicContact CE1-CG2 4.08Å; Q183-T297 PolarHBondContact OE1-OG1 3.27Å; Q183-T297 VanDerWaalsContact OE1-OG1 3.1Å; N295-T297 PolarHBondContact O-N 3.13Å |
| 298 | A | 93.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -76.9 | 144.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y178 R240 Y296 | Y178-A298 VanDerWaalsContact CE1-O 3.27Å; Y178-A298 WeakPolarHBondContact CE1-O 3.49Å; Y178-A298 PolarHBondContact OH-O 2.81Å; Y178-A298 VanDerWaalsContact OH-O 3.04Å; R240-A298 HydrophobicContact CG-CB 4.39Å; R240-A298 VanDerWaalsContact NE-CB 3.35Å; Y296-A298 HydrophobicContact CE1-CB 3.98Å |
| 299 | P | 94.6 | Very high | 92.4 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.019 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 143 | 176.8 | 27.1 | -34.3 | 0 | 0 | 0 | 110.6 | F212 F280 Y284 Y285 | F212-P299 HydrophobicContact CD2-CB 4.29Å; F212-P299 HydrophobicContact CE2-CB 4.4Å; F280-P299 HydrophobicContact CD1-CB 3.98Å; F280-P299 HydrophobicContact CD1-CG 3.82Å; F280-P299 WeakPolarHBondContact CE1-O 3.37Å; Y284-P299 HydrophobicContact CD2-CB 3.56Å; Y284-P299 HydrophobicContact CD2-CG 3.77Å; Y284-P299 HydrophobicContact CE2-CB 3.84Å; Y284-P299 HydrophobicContact CG-CB 3.93Å; Y284-P299 HydrophobicContact CG-CG 3.81Å; Y285-P299 HydrophobicContact CE2-CG 4.14Å; Y285-P299 WeakPolarHBondContact OH-CG 3.49Å |
| 300 | V | 95.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 140.6 | 179.2 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | Y178 F212 L238 | Y178-V300 HydrophobicContact CE1-CG2 4.08Å; Y178-V300 HydrophobicContact CE2-CG2 4.37Å; Y178-V300 WeakPolarHBondContact OH-CG2 3.43Å; F212-V300 HydrophobicContact CE1-CB 4.44Å; F212-V300 WeakPolarHBondContact CE2-O 3.46Å; F212-V300 HydrophobicContact CZ-CB 4.31Å; F212-V300 WeakPolarHBondContact CZ-O 3.44Å; L238-V300 HydrophobicContact CB-CG1 3.74Å; L238-V300 HydrophobicContact CD1-CG1 4.42Å; L238-V300 HydrophobicContact CD2-CG1 3.92Å; L238-V300 HydrophobicContact CG-CG1 4.21Å |
| 301 | V | 96 | Very high | 92 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 123.3 | 171.4 | 175.5 | 0 | 0 | 0 | 0 | 107.5 | L239 F274 F280 | L239-V301 WeakPolarHBondContact CB-O 3.38Å; L239-V301 PolarHBondContact N-O 2.87Å; L239-V301 PolarHBondContact O-N 3.31Å; F274-V301 HydrophobicContact CD1-CG1 3.94Å; F280-V301 HydrophobicContact CD1-CG2 4.1Å; F280-V301 HydrophobicContact CE1-CB 4.48Å; F280-V301 HydrophobicContact CE1-CG2 3.73Å; F280-V301 HydrophobicContact CE2-CG2 4.38Å; F280-V301 HydrophobicContact CZ-CB 4.37Å; F280-V301 HydrophobicContact CZ-CG2 3.88Å |
| 302 | A | 96.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 139.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L217 C220 I237 L238 F274 F275 | L217-A302 HydrophobicContact CD2-CB 4.02Å; C220-A302 HydrophobicContact CB-CB 3.55Å; I237-A302 CarbonylContact O-C 3.4Å; I237-A302 WeakPolarHBondContact O-CA 3.4Å; L238-A302 HydrophobicContact CD2-CB 3.69Å; F274-A302 CarbonylContact C-O 3.5Å; F274-A302 WeakPolarHBondContact CA-O 3.43Å; F275-A302 HydrophobicContact CB-CB 4.36Å; F275-A302 PolarHBondContact N-O 2.97Å; F275-A302 PolarHBondContact O-N 3.31Å |
| 303 | V | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 120 | 171.4 | -172.2 | 0 | 0 | 0 | 0 | 108.1 | C236 I237 L239 L272 Q273 F274 F305 | C236-V303 WeakPolarHBondContact CA-O 3.43Å; I237-V303 PolarHBondContact N-O 3.42Å; I237-V303 PolarHBondContact O-N 3.48Å; L239-V303 HydrophobicContact CD1-CB 4.49Å; L239-V303 HydrophobicContact CD1-CG2 3.33Å; L239-V303 HydrophobicContact CG-CG2 4.02Å; L272-V303 HydrophobicContact CB-CG1 4.48Å; L272-V303 HydrophobicContact CD2-CG1 4.28Å; Q273-V303 CarbonylContact O-C 3.41Å; Q273-V303 WeakPolarHBondContact O-CA 3.34Å; F274-V303 HydrophobicContact CD1-CB 4.45Å; F274-V303 HydrophobicContact CD1-CG1 4.45Å; F274-V303 HydrophobicContact CD1-CG2 3.51Å; F274-V303 HydrophobicContact CE1-CB 4.31Å; F274-V303 HydrophobicContact CE1-CG1 4.06Å; F274-V303 HydrophobicContact CE1-CG2 3.34Å; F274-V303 HydrophobicContact CZ-CG1 4.22Å; F274-V303 HydrophobicContact CZ-CG2 4.27Å; V303-F305 HydrophobicContact CB-CE2 4.09Å; V303-F305 HydrophobicContact CB-CZ 4.37Å; V303-F305 HydrophobicContact CG1-CD2 4.46Å; V303-F305 HydrophobicContact CG1-CE1 4.38Å; V303-F305 HydrophobicContact CG1-CE2 3.85Å; V303-F305 HydrophobicContact CG1-CZ 3.8Å |
| 304 | R | 94.6 | Very high | 91.9 | Very high | 23 Ų | 23 | 35 Ų | 35 | 9% | 0.087 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 128.6 | 174.2 | -164.5 | -178.9 | 178.6 | -173.8 | -1.9 | 109.3 | E219 Q273 F275 N306 | E219-R304 IonicContact OE1-NH1 2.59Å; E219-R304 PolarHBondContact OE1-NH1 3.47Å; E219-R304 IonicContact OE2-CZ 3.82Å; E219-R304 IonicContact OE2-NH1 3.74Å; E219-R304 PolarHBondContact OE2-NH1 2.97Å; Q273-R304 HydrophobicContact CB-CB 4.38Å; Q273-R304 PolarHBondContact N-O 2.84Å; Q273-R304 PolarHBondContact O-N 3.4Å; F275-R304 HydrophobicContact CE2-CB 4.14Å; R304-N306 WeakPolarHBondContact CD-OD1 3.48Å; R304-N306 VanDerWaalsContact CG-OD1 3.25Å; R304-N306 WeakPolarHBondContact CG-OD1 3.33Å; R304-N306 PolarHBondContact NE-OD1 3.44Å |
| 305 | F | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 99 | 178.3 | -64.2 | -93.3 | 0 | 0 | 0 | 108.7 | K234 P235 I237 L269 L272 V303 V316 F340 F342 | K234-F305 VanDerWaalsContact CA-O 3.23Å; K234-F305 WeakPolarHBondContact CA-O 2.91Å; K234-F305 WeakPolarHBondContact CB-O 3.48Å; P235-F305 HydrophobicContact CG-CB 4.45Å; P235-F305 WeakPolarHBondContact O-CD2 3.48Å; P235-F305 PolarHBondContact O-N 3.33Å; I237-F305 HydrophobicContact CB-CE2 4.03Å; I237-F305 HydrophobicContact CG1-CD2 4.1Å; I237-F305 HydrophobicContact CG1-CE2 3.57Å; L269-F305 HydrophobicContact CD1-CD1 3.63Å; L269-F305 HydrophobicContact CD1-CE1 3.7Å; L269-F305 HydrophobicContact CG-CD1 4.44Å; L272-F305 HydrophobicContact CD2-CD1 3.21Å; L272-F305 HydrophobicContact CD2-CE1 3.35Å; L272-F305 HydrophobicContact CD2-CG 4.05Å; L272-F305 HydrophobicContact CD2-CZ 4.27Å; V303-F305 HydrophobicContact CB-CE2 4.09Å; V303-F305 HydrophobicContact CB-CZ 4.37Å; V303-F305 HydrophobicContact CG1-CD2 4.46Å; V303-F305 HydrophobicContact CG1-CE1 4.38Å; V303-F305 HydrophobicContact CG1-CE2 3.85Å; V303-F305 HydrophobicContact CG1-CZ 3.8Å; F305-V316 HydrophobicContact CE1-CG1 4.19Å; F305-V316 HydrophobicContact CE1-CG2 4.41Å; F305-V316 HydrophobicContact CZ-CG1 4.43Å; F305-F340 HydrophobicContact CE2-CE2 4.49Å; F305-F340 HydrophobicContact CE2-CZ 4.43Å; F305-F340 HydrophobicContact CZ-CE2 4.18Å; F305-F340 AromaticContact CZ-CZ 3.95Å; F305-F340 HydrophobicContact CZ-CZ 3.95Å; F305-F342 HydrophobicContact CD1-CE2 4.02Å; F305-F342 HydrophobicContact CD1-CZ 4.48Å; F305-F342 HydrophobicContact CD2-CE2 4.12Å; F305-F342 AromaticContact CD2-CZ 3.76Å; F305-F342 HydrophobicContact CD2-CZ 3.76Å; F305-F342 AromaticContact CE1-CE2 3.9Å; F305-F342 HydrophobicContact CE1-CE2 3.9Å; F305-F342 HydrophobicContact CE1-CZ 4.47Å; F305-F342 HydrophobicContact CE2-CE2 4.01Å; F305-F342 AromaticContact CE2-CZ 3.77Å; F305-F342 HydrophobicContact CE2-CZ 3.77Å; F305-F342 HydrophobicContact CG-CE2 4.14Å; F305-F342 HydrophobicContact CG-CZ 4.15Å; F305-F342 AromaticContact CZ-CE2 3.9Å; F305-F342 HydrophobicContact CZ-CE2 3.9Å; F305-F342 HydrophobicContact CZ-CZ 4.14Å |
| 306 | N | 89.8 | Confident | 92.2 | Very high | 34 Ų | 34 | 29.7 Ų | 29.7 | 18% | 0.182 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -88.4 | -27.4 | -171.1 | -81 | 3.4 | 0 | 0 | 0 | 114.3 | K234 E271 Q273 R304 | K234-N306 VanDerWaalsContact CE-O 3.3Å; K234-N306 WeakPolarHBondContact CE-O 3.47Å; E271-N306 PolarHBondContact O-N 2.82Å; Q273-N306 PolarHBondContact NE2-ND2 3.43Å; Q273-N306 PolarHBondContact OE1-ND2 2.9Å; Q273-N306 VanDerWaalsContact OE1-ND2 3.09Å; R304-N306 WeakPolarHBondContact CD-OD1 3.48Å; R304-N306 VanDerWaalsContact CG-OD1 3.25Å; R304-N306 WeakPolarHBondContact CG-OD1 3.33Å; R304-N306 PolarHBondContact NE-OD1 3.44Å |
| 307 | G | 84.9 | Confident | 92.2 | Very high | 33 Ų | 33 | 31.1 Ų | 31.1 | 34% | 0.34 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -117.3 | 34.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L269 G270 Q309 | L269-G307 CarbonylContact C-O 3.59Å; G270-G307 WeakPolarHBondContact CA-O 3.41Å; G270-G307 PolarHBondContact N-O 3.48Å; G307-Q309 PolarHBondContact O-N 2.89Å |
| 308 | L | 88.9 | Confident | 92.3 | Very high | 14 Ų | 14 | 30.7 Ų | 30.7 | 7% | 0.073 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 127 | 178.5 | -162.5 | 72.1 | 0 | 0 | 0 | 110.3 | P235 S268 L269 I314 F342 V344 | P235-L308 HydrophobicContact CG-CD2 4.27Å; S268-L308 WeakPolarHBondContact O-CA 3.49Å; L269-L308 HydrophobicContact CD1-CD1 4.48Å; L308-I314 HydrophobicContact CD1-CD1 3.3Å; L308-I314 HydrophobicContact CD1-CG1 4.21Å; L308-F342 HydrophobicContact CD1-CD2 4.31Å; L308-F342 HydrophobicContact CD2-CB 4.38Å; L308-F342 HydrophobicContact CD2-CD1 4.37Å; L308-F342 HydrophobicContact CD2-CG 4.25Å; L308-V344 HydrophobicContact CD2-CB 4.04Å; L308-V344 HydrophobicContact CD2-CG2 3.35Å |
| 309 | Q | 86.9 | Confident | 92.3 | Very high | 95 Ų | 95 | 35 Ų | 35 | 44% | 0.444 | 18% | 0.176 | S | C | . | . | P | Polyproline II helix | trans | -79.3 | 134.1 | 175.8 | -72 | -175.6 | 1.9 | 0 | 0 | 111.7 | S268 G307 T312 | S268-Q309 PolarHBondContact O-N 3.44Å; G307-Q309 PolarHBondContact O-N 2.89Å; Q309-T312 HydrophobicContact CB-CG2 4.24Å; Q309-T312 PolarHBondContact O-OG1 3.31Å |
| 310 | Y | 89.8 | Confident | 92.3 | Very high | 99 Ų | 99 | 34.9 Ų | 34.9 | 39% | 0.388 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | 153.8 | 174.7 | -62.8 | -75.7 | 0 | 0 | 0 | 112.1 | A158 Q232 T312 V344 A346 | A158-Y310 HydrophobicContact CB-CE1 4.16Å; Q232-Y310 PolarHBondContact O-OH 3.5Å; Y310-T312 PolarHBondContact O-N 3.48Å; Y310-T312 VanDerWaalsContact O-N 3.16Å; Y310-V344 CarbonylContact C-O 3.5Å; Y310-V344 VanDerWaalsContact CA-O 3.31Å; Y310-V344 WeakPolarHBondContact CA-O 3.45Å; Y310-V344 HydrophobicContact CD1-CG1 3.85Å; Y310-V344 HydrophobicContact CE1-CG1 3.95Å; Y310-A346 HydrophobicContact CD1-CB 4.22Å; Y310-A346 HydrophobicContact CG-CB 4.26Å |
| 311 | D | 88.1 | Confident | 92.2 | Very high | 121 Ų | 121 | 37 Ų | 37 | 65% | 0.647 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 27.2 | 175.6 | -52 | -46.8 | 0 | 0 | 0 | 113.8 | V344 | D311-V344 PolarHBondContact N-O 2.86Š|
| 312 | T | 87.8 | Confident | 92 | Very high | 39 Ų | 39 | 38.3 Ų | 38.3 | 24% | 0.239 | 20% | 0.2 | C | C | . | . | trans | -119.8 | 130.7 | 175.3 | 65.7 | 0 | 0 | 0 | 0 | 111.4 | Q309 Y310 | Q309-T312 HydrophobicContact CB-CG2 4.24Å; Q309-T312 PolarHBondContact O-OG1 3.31Å; Y310-T312 PolarHBondContact O-N 3.48Å; Y310-T312 VanDerWaalsContact O-N 3.16Å | ||
| 313 | H | 91 | Very high | 91.6 | Very high | 105 Ų | 105 | 44.3 Ų | 44.3 | 49% | 0.486 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 112 | 171.6 | 176.8 | -81.6 | 0 | 0 | 0 | 110 | F342 | H313-F342 WeakPolarHBondContact CA-O 3.47Å |
| 314 | I | 93.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 145.7 | -179.2 | 70.9 | 162.7 | 0 | 0 | 0 | 110.8 | S268 L269 L308 V316 S341 F342 | S268-I314 WeakPolarHBondContact OG-CG2 3.27Å; L269-I314 HydrophobicContact CD1-CD1 3.69Å; L308-I314 HydrophobicContact CD1-CD1 3.3Å; L308-I314 HydrophobicContact CD1-CG1 4.21Å; I314-V316 HydrophobicContact CD1-CG2 3.93Å; I314-V316 HydrophobicContact CG1-CG2 4.36Å; I314-S341 CarbonylContact O-C 3.55Å; I314-S341 WeakPolarHBondContact O-CA 3.42Å; I314-F342 HydrophobicContact CD1-CD2 4.18Å; I314-F342 HydrophobicContact CG1-CB 3.8Å; I314-F342 HydrophobicContact CG1-CD2 4.17Å; I314-F342 HydrophobicContact CG1-CG 4.5Å; I314-F342 PolarHBondContact N-O 3.5Å; I314-F342 VanDerWaalsContact N-O 3.07Å; I314-F342 PolarHBondContact O-N 3.17Å |
| 315 | V | 93.8 | Very high | 90.8 | Very high | 25 Ų | 25 | 47 Ų | 47 | 15% | 0.152 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 117.2 | 174.7 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | K262 K263 F340 | K262-V315 HydrophobicContact CB-CG1 4.44Å; K262-V315 PolarHBondContact N-O 3.35Å; K263-V315 HydrophobicContact CB-CB 3.98Å; K263-V315 HydrophobicContact CB-CG2 4.03Å; K263-V315 PolarHBondContact N-O 2.87Å; K263-V315 PolarHBondContact O-N 2.83Å; V315-F340 CarbonylContact C-O 3.09Å; V315-F340 WeakPolarHBondContact CA-O 3.45Å |
| 316 | V | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 135.9 | -179.9 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | C259 G260 L269 F305 I314 S339 F340 F342 | C259-V316 HydrophobicContact CB-CG1 4.23Å; G260-V316 WeakPolarHBondContact O-CA 3.45Å; L269-V316 HydrophobicContact CD1-CG1 4.46Å; L269-V316 HydrophobicContact CD1-CG2 3.45Å; L269-V316 VanDerWaalsContact CD1-CG2 3.45Å; F305-V316 HydrophobicContact CE1-CG1 4.19Å; F305-V316 HydrophobicContact CE1-CG2 4.41Å; F305-V316 HydrophobicContact CZ-CG1 4.43Å; I314-V316 HydrophobicContact CD1-CG2 3.93Å; I314-V316 HydrophobicContact CG1-CG2 4.36Å; V316-S339 VanDerWaalsContact O-CA 3.28Å; V316-S339 WeakPolarHBondContact O-CA 3.12Å; V316-F340 HydrophobicContact CB-CE2 4.21Å; V316-F340 HydrophobicContact CB-CZ 4.25Å; V316-F340 HydrophobicContact CG1-CZ 4.2Å; V316-F340 PolarHBondContact N-O 3.46Å; V316-F340 PolarHBondContact O-N 3.01Å; V316-F342 HydrophobicContact CG2-CD2 3.89Å; V316-F342 HydrophobicContact CG2-CE2 4.03Å |
| 317 | K | 94.4 | Very high | 90.2 | Very high | 47 Ų | 47 | 51 Ų | 51 | 20% | 0.204 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 116.9 | 169.5 | -175.4 | 179.6 | -177.5 | -173.9 | 0 | 108.7 | C259 G260 K262 N327 D328 S337 V338 | C259-K317 WeakPolarHBondContact CA-O 3.41Å; G260-K317 PolarHBondContact N-O 2.89Å; G260-K317 PolarHBondContact O-N 3.32Å; K262-K317 HydrophobicContact CB-CB 3.96Å; K262-K317 HydrophobicContact CD-CB 4.25Å; K262-K317 HydrophobicContact CD-CD 4.36Å; K317-N327 PolarHBondContact NZ-O 3.49Å; K317-D328 IonicContact NZ-OD1 3.57Å; K317-S337 VanDerWaalsContact CE-CB 3.42Å; K317-S337 WeakPolarHBondContact CE-OG 3.39Å; K317-V338 WeakPolarHBondContact CA-O 3.35Å |
| 318 | C | 94.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 135 | 167.4 | -65.4 | 0 | 0 | 0 | 0 | 109.2 | M142 L239 T258 C259 S337 V338 | M142-C318 HydrophobicContact CE-CB 4.15Å; M142-C318 HydrophobicContact SD-CB 4.37Å; L239-C318 HydrophobicContact CD1-CB 3.99Å; L239-C318 HydrophobicContact CD2-CB 4.48Å; T258-C318 CarbonylContact O-C 3.55Å; T258-C318 WeakPolarHBondContact O-CA 3.21Å; C259-C318 HydrophobicContact CB-CB 4.11Å; C259-C318 WeakPolarHBondContact CB-SG 3.35Å; C259-C318 WeakPolarHBondContact SG-CB 3.3Å; C259-C318 CovalentContact SG-SG 2.04Å; C259-C318 PolarHBondContact SG-SG 3.45Å; C318-S337 CarbonylContact O-C 3.51Å; C318-S337 WeakPolarHBondContact O-CA 3.15Å; C318-S337 WeakPolarHBondContact O-CB 3.36Å; C318-V338 HydrophobicContact CB-CG1 3.97Å; C318-V338 PolarHBondContact N-O 2.76Å; C318-V338 PolarHBondContact O-N 2.87Å |
| 319 | K | 94.8 | Very high | 89.6 | Confident | 92 Ų | 92 | 56.6 Ų | 56.6 | 40% | 0.4 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 144 | -176.7 | 55.9 | 178.7 | 176.4 | 173.1 | 0 | 110.7 | T258 | T258-K319 PolarHBondContact N-O 3.39Å; T258-K319 WeakPolarHBondContact O-CG 3.39Å; T258-K319 PolarHBondContact O-N 2.88Å; T258-K319 VanDerWaalsContact OG1-CE 3.23Å; T258-K319 WeakPolarHBondContact OG1-CE 3.23Å; T258-K319 WeakPolarHBondContact OG1-CG 3.19Å |
| 320 | L | 94.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 124.2 | 173.4 | -59.8 | 179.6 | 0 | 0 | 0 | 108.3 | M142 M241 V255 N256 V257 F280 I325 N327 G336 | M142-L320 HydrophobicContact CB-CD1 4.16Å; M142-L320 HydrophobicContact CB-CG 4.32Å; M142-L320 HydrophobicContact CE-CD2 3.89Å; M142-L320 HydrophobicContact CG-CD1 4.47Å; M142-L320 HydrophobicContact CG-CD2 4.32Å; M142-L320 HydrophobicContact CG-CG 4.31Å; M142-L320 HydrophobicContact SD-CD2 3.7Å; M142-L320 HydrophobicContact SD-CG 3.75Å; M241-L320 HydrophobicContact CB-CD1 4.48Å; M241-L320 HydrophobicContact CG-CD1 4.03Å; M241-L320 HydrophobicContact SD-CD1 3.87Å; V255-L320 HydrophobicContact CG1-CB 3.89Å; V255-L320 HydrophobicContact CG1-CD2 4.25Å; N256-L320 CarbonylContact O-C 3.6Å; N256-L320 WeakPolarHBondContact O-CA 3.26Å; V257-L320 HydrophobicContact CG2-CD2 3.88Å; F280-L320 HydrophobicContact CD2-CD2 4.08Å; F280-L320 HydrophobicContact CE2-CD2 3.5Å; F280-L320 VanDerWaalsContact CE2-CD2 3.5Å; L320-I325 HydrophobicContact CB-CD1 3.85Å; L320-I325 HydrophobicContact CB-CG2 3.96Å; L320-N327 PolarHBondContact O-ND2 3.17Å; L320-N327 PolarHBondContact O-OD1 3.41Å; L320-G336 WeakPolarHBondContact CB-O 3.24Å; L320-G336 WeakPolarHBondContact CG-O 3.23Å; L320-G336 PolarHBondContact N-O 3Å |
| 321 | N | 93.5 | Very high | 89 | Confident | 47 Ų | 47 | 59.6 Ų | 59.6 | 25% | 0.251 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 127.5 | 171.8 | -29.3 | -82.6 | 0 | 0 | 0 | 110.5 | N256 T258 | N256-N321 PolarHBondContact N-O 2.95Å; N256-N321 PolarHBondContact O-N 2.81Å; N256-N321 WeakPolarHBondContact OD1-CA 3.46Å; N256-N321 WeakPolarHBondContact OD1-CB 3.21Å; N256-N321 VanDerWaalsContact OD1-CG 3.29Å; N256-N321 PolarHBondContact OD1-N 3.19Å; N256-N321 PolarHBondContact OD1-ND2 2.98Å; N256-N321 PolarHBondContact OD1-O 2.85Å; T258-N321 WeakPolarHBondContact CG2-ND2 3.22Å; T258-N321 PolarHBondContact OG1-ND2 3.16Å |
| 322 | G | 90.9 | Very high | 88.8 | Confident | 30 Ų | 30 | 57 Ų | 57 | 31% | 0.309 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 178.7 | 161.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | G324 I325 | G322-G324 PolarHBondContact O-N 3.33Å; G322-I325 PolarHBondContact O-N 3Å |
| 323 | K | 89.1 | Confident | 88.7 | Confident | 125 Ų | 125 | 64.3 Ų | 64.3 | 54% | 0.543 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 132.2 | 176.7 | -65.7 | -178.6 | 179.4 | 178.4 | 0 | 110.2 | G250 I325 | G250-K323 WeakPolarHBondContact CA-O 3.46Å; K323-I325 VanDerWaalsContact C-N 3.33Å |
| 324 | G | 84.1 | Confident | 88.6 | Confident | 59 Ų | 59 | 62.7 Ų | 62.7 | 61% | 0.608 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | 2.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | G322 | G322-G324 PolarHBondContact O-N 3.33Š|
| 325 | I | 88.2 | Confident | 88.5 | Confident | 22 Ų | 22 | 64 Ų | 64 | 11% | 0.113 | 35% | 0.346 | C | S | . | . | trans | -95.7 | 130.2 | 174.8 | -58.5 | -177.5 | 0 | 0 | 0 | 109.5 | V255 L320 G322 K323 N327 | V255-I325 HydrophobicContact CB-CD1 4.17Å; V255-I325 HydrophobicContact CG1-CD1 3.41Å; V255-I325 VanDerWaalsContact CG1-CD1 3.41Å; V255-I325 HydrophobicContact CG2-CD1 3.6Å; L320-I325 HydrophobicContact CB-CD1 3.85Å; L320-I325 HydrophobicContact CB-CG2 3.96Å; G322-I325 PolarHBondContact O-N 3Å; K323-I325 VanDerWaalsContact C-N 3.33Å; I325-N327 WeakPolarHBondContact CG2-OD1 3.22Å | ||
| 326 | I | 86.4 | Confident | 88.4 | Confident | 93 Ų | 93 | 62.8 Ų | 62.8 | 48% | 0.477 | 34% | 0.339 | S | S | . | . | trans | -105.6 | 131.2 | 176.6 | -57.2 | 168 | 0 | 0 | 0 | 107.6 | P139 L335 G336 | P139-I326 HydrophobicContact CG-CB 3.98Å; P139-I326 HydrophobicContact CG-CD1 3.99Å; P139-I326 HydrophobicContact CG-CG1 4.11Å; I326-L335 HydrophobicContact CB-CD2 3.75Å; I326-L335 HydrophobicContact CG2-CD2 4.09Å; I326-L335 CarbonylContact O-C 3.59Å; I326-L335 WeakPolarHBondContact O-CD2 3.38Å; I326-G336 WeakPolarHBondContact O-CA 3.34Å | ||
| 327 | N | 85.3 | Confident | 88.3 | Confident | 24 Ų | 24 | 62.9 Ų | 62.9 | 13% | 0.128 | 34% | 0.34 | C | S | . | . | trans | -117.6 | -7.1 | -177.1 | -67.2 | -28.9 | 0 | 0 | 0 | 114 | K317 L320 I325 G336 | K317-N327 PolarHBondContact NZ-O 3.49Å; L320-N327 PolarHBondContact O-ND2 3.17Å; L320-N327 PolarHBondContact O-OD1 3.41Å; I325-N327 WeakPolarHBondContact CG2-OD1 3.22Å; N327-G336 VanDerWaalsContact OD1-CA 3.22Å; N327-G336 WeakPolarHBondContact OD1-CA 3.18Å; N327-G336 PolarHBondContact OD1-O 3.32Å | ||
| 328 | D | 78.8 | Confident | 88.3 | Confident | 137 Ų | 137 | 60.6 Ų | 60.6 | 73% | 0.733 | 33% | 0.33 | S | S | * | . | trans | -119 | 39.3 | -168.9 | -60.2 | -40.6 | 0 | 0 | 0 | 111.2 | K317 P330 | K317-D328 IonicContact NZ-OD1 3.57Å; D328-P330 WeakPolarHBondContact O-CD 3.45Å | ||
| 329 | S | 82.9 | Confident | 88.2 | Confident | 28 Ų | 28 | 61.8 Ų | 61.8 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | trans | -74.3 | 125.7 | 172.2 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | T331 D332 | S329-T331 VanDerWaalsContact C-N 3.34Å; S329-T331 PolarHBondContact OG-OG1 3.11Å; S329-T331 VanDerWaalsContact OG-OG1 3.09Å; S329-D332 WeakPolarHBondContact CB-O 3.41Å; S329-D332 PolarHBondContact OG-N 2.93Å | ||
| 330 | P | 80.3 | Confident | 88.1 | Confident | 126 Ų | 126 | 57.5 Ų | 57.5 | 82% | 0.818 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -75.8 | -25.2 | 175.7 | 29.7 | -33.3 | 0 | 0 | 0 | 112.4 | D328 | D328-P330 WeakPolarHBondContact O-CD 3.45Š|
| 331 | T | 83.6 | Confident | 88.1 | Confident | 131 Ų | 131 | 58.3 Ų | 58.3 | 80% | 0.804 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -85.2 | -38.3 | -177.3 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | S329 | S329-T331 VanDerWaalsContact C-N 3.34Å; S329-T331 PolarHBondContact OG-OG1 3.11Å; S329-T331 VanDerWaalsContact OG-OG1 3.09Å |
| 332 | D | 83.7 | Confident | 88 | Confident | 66 Ų | 66 | 56.1 Ų | 56.1 | 35% | 0.353 | 31% | 0.313 | S | S | . | . | trans | -120.6 | 114.9 | -177.4 | -169.8 | -8.1 | 0 | 0 | 0 | 111.7 | S329 F334 L335 | S329-D332 WeakPolarHBondContact CB-O 3.41Å; S329-D332 PolarHBondContact OG-N 2.93Å; D332-F334 VanDerWaalsContact C-N 3.31Å; D332-F334 PolarHBondContact OD1-N 3.31Å; D332-L335 HydrophobicContact CB-CB 3.84Å; D332-L335 HydrophobicContact CB-CD1 4.2Å | ||
| 333 | R | 85.3 | Confident | 88.1 | Confident | 192 Ų | 192 | 57.9 Ų | 57.9 | 73% | 0.725 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -16.5 | -178.7 | -54 | 178.3 | -176.2 | 176.6 | 2.4 | 113 | S337 | R333-S337 VanDerWaalsContact O-O 3.13Š|
| 334 | F | 88.9 | Confident | 88 | Confident | 71 Ų | 71 | 52 Ų | 52 | 31% | 0.311 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -5.1 | -176.5 | -62.2 | -71.6 | 0 | 0 | 0 | 113.1 | G141 M142 Y152 D332 G336 S337 V338 | G141-F334 CarbonylContact C-O 3.43Å; G141-F334 WeakPolarHBondContact CA-O 3.23Å; M142-F334 PolarHBondContact N-O 2.81Å; Y152-F334 AromaticContact CD1-CE1 3.91Å; Y152-F334 HydrophobicContact CD1-CE1 3.91Å; Y152-F334 HydrophobicContact CD1-CZ 4.5Å; Y152-F334 AromaticContact CD2-CE1 3.97Å; Y152-F334 HydrophobicContact CD2-CE1 3.97Å; Y152-F334 AromaticContact CD2-CZ 3.72Å; Y152-F334 HydrophobicContact CD2-CZ 3.72Å; Y152-F334 HydrophobicContact CE1-CD1 4.28Å; Y152-F334 AromaticContact CE1-CE1 3.51Å; Y152-F334 HydrophobicContact CE1-CE1 3.51Å; Y152-F334 HydrophobicContact CE1-CZ 4.19Å; Y152-F334 AromaticContact CE2-CE1 3.58Å; Y152-F334 HydrophobicContact CE2-CE1 3.58Å; Y152-F334 HydrophobicContact CE2-CE2 4.33Å; Y152-F334 AromaticContact CE2-CZ 3.34Å; Y152-F334 HydrophobicContact CE2-CZ 3.34Å; Y152-F334 HydrophobicContact CG-CE1 4.13Å; Y152-F334 HydrophobicContact CG-CZ 4.3Å; Y152-F334 AromaticContact CZ-CE1 3.34Å; Y152-F334 AromaticContact CZ-CZ 3.61Å; D332-F334 VanDerWaalsContact C-N 3.31Å; D332-F334 PolarHBondContact OD1-N 3.31Å; F334-G336 PolarHBondContact O-N 3.46Å; F334-S337 CarbonylContact C-O 3.53Å; F334-S337 WeakPolarHBondContact CA-O 3.33Å; F334-S337 VanDerWaalsContact O-O 3.09Å; F334-V338 HydrophobicContact CD1-CG2 4.04Å; F334-V338 HydrophobicContact CE1-CG2 4.09Å |
| 335 | L | 91.8 | Very high | 88.2 | Confident | 28 Ų | 28 | 49.7 Ų | 49.7 | 15% | 0.147 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -75.9 | 115.7 | 179.9 | -167.2 | 158.8 | 0 | 0 | 0 | 109.3 | P139 I326 D332 S337 | P139-L335 HydrophobicContact CG-CD1 4.22Å; P139-L335 HydrophobicContact CG-CD2 3.38Å; P139-L335 HydrophobicContact CG-CG 3.91Å; I326-L335 HydrophobicContact CB-CD2 3.75Å; I326-L335 HydrophobicContact CG2-CD2 4.09Å; I326-L335 CarbonylContact O-C 3.59Å; I326-L335 WeakPolarHBondContact O-CD2 3.38Å; D332-L335 HydrophobicContact CB-CB 3.84Å; D332-L335 HydrophobicContact CB-CD1 4.2Å; L335-S337 PolarHBondContact O-N 2.91Å |
| 336 | G | 90.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 62.4 | -8.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | P140 L320 I326 N327 F334 | P140-G336 PolarHBondContact O-N 2.82Å; P140-G336 VanDerWaalsContact O-N 3.13Å; L320-G336 WeakPolarHBondContact CB-O 3.24Å; L320-G336 WeakPolarHBondContact CG-O 3.23Å; L320-G336 PolarHBondContact N-O 3Å; I326-G336 WeakPolarHBondContact O-CA 3.34Å; N327-G336 VanDerWaalsContact OD1-CA 3.22Å; N327-G336 WeakPolarHBondContact OD1-CA 3.18Å; N327-G336 PolarHBondContact OD1-O 3.32Å; F334-G336 PolarHBondContact O-N 3.46Å |
| 337 | S | 93.1 | Very high | 87.6 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.014 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 159.3 | -177.4 | 64.7 | 0 | 0 | 0 | 0 | 111.6 | K317 C318 R333 F334 L335 | K317-S337 VanDerWaalsContact CE-CB 3.42Å; K317-S337 WeakPolarHBondContact CE-OG 3.39Å; C318-S337 CarbonylContact O-C 3.51Å; C318-S337 WeakPolarHBondContact O-CA 3.15Å; C318-S337 WeakPolarHBondContact O-CB 3.36Å; R333-S337 VanDerWaalsContact O-O 3.13Å; F334-S337 CarbonylContact C-O 3.53Å; F334-S337 WeakPolarHBondContact CA-O 3.33Å; F334-S337 VanDerWaalsContact O-O 3.09Å; L335-S337 PolarHBondContact O-N 2.91Å |
| 338 | V | 93.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 132.8 | 174.8 | 61.7 | 0 | 0 | 0 | 0 | 108.5 | M142 M144 Y152 L239 K317 C318 F334 F340 | M142-V338 HydrophobicContact CB-CB 4.43Å; M142-V338 HydrophobicContact CE-CG1 4.41Å; M142-V338 HydrophobicContact CG-CB 4.39Å; M142-V338 HydrophobicContact CG-CG1 3.99Å; M142-V338 HydrophobicContact SD-CG1 3.92Å; M144-V338 HydrophobicContact CB-CG1 4.16Å; M144-V338 HydrophobicContact CB-CG2 4.02Å; M144-V338 HydrophobicContact CG-CG2 3.8Å; Y152-V338 HydrophobicContact CD1-CG2 3.99Å; Y152-V338 HydrophobicContact CE1-CG2 3.93Å; L239-V338 HydrophobicContact CD2-CG1 4.12Å; K317-V338 WeakPolarHBondContact CA-O 3.35Å; C318-V338 HydrophobicContact CB-CG1 3.97Å; C318-V338 PolarHBondContact N-O 2.76Å; C318-V338 PolarHBondContact O-N 2.87Å; F334-V338 HydrophobicContact CD1-CG2 4.04Å; F334-V338 HydrophobicContact CE1-CG2 4.09Å; V338-F340 HydrophobicContact CG1-CD1 4.45Å; V338-F340 HydrophobicContact CG1-CE1 4.39Å; V338-F340 HydrophobicContact CG2-CD1 4.47Å |
| 339 | S | 93.3 | Very high | 88.2 | Confident | 24 Ų | 24 | 46.3 Ų | 46.3 | 17% | 0.168 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132.2 | 175.9 | -54.9 | 0 | 0 | 0 | 0 | 109.5 | V316 | V316-S339 VanDerWaalsContact O-CA 3.28Å; V316-S339 WeakPolarHBondContact O-CA 3.12Å |
| 340 | F | 93.6 | Very high | 88.5 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 154 | 177.6 | 54 | -85.9 | 0 | 0 | 0 | 110.6 | M144 Y152 I154 I237 F305 V315 V316 V338 F342 | M144-F340 HydrophobicContact CB-CD1 4.48Å; M144-F340 HydrophobicContact CE-CB 3.86Å; M144-F340 HydrophobicContact CE-CG 4.36Å; M144-F340 HydrophobicContact CG-CD1 4.1Å; M144-F340 HydrophobicContact CG-CG 4.49Å; Y152-F340 CarbonylContact O-C 3.6Å; Y152-F340 WeakPolarHBondContact O-CA 3.38Å; Y152-F340 WeakPolarHBondContact O-CB 3.26Å; I154-F340 HydrophobicContact CD1-CD2 4.25Å; I237-F340 HydrophobicContact CG1-CE2 4.22Å; I237-F340 HydrophobicContact CG1-CZ 4.48Å; I237-F340 HydrophobicContact CG2-CZ 4.18Å; F305-F340 HydrophobicContact CE2-CE2 4.49Å; F305-F340 HydrophobicContact CE2-CZ 4.43Å; F305-F340 HydrophobicContact CZ-CE2 4.18Å; F305-F340 AromaticContact CZ-CZ 3.95Å; F305-F340 HydrophobicContact CZ-CZ 3.95Å; V315-F340 CarbonylContact C-O 3.09Å; V315-F340 WeakPolarHBondContact CA-O 3.45Å; V316-F340 HydrophobicContact CB-CE2 4.21Å; V316-F340 HydrophobicContact CB-CZ 4.25Å; V316-F340 HydrophobicContact CG1-CZ 4.2Å; V316-F340 PolarHBondContact N-O 3.46Å; V316-F340 PolarHBondContact O-N 3.01Å; V338-F340 HydrophobicContact CG1-CD1 4.45Å; V338-F340 HydrophobicContact CG1-CE1 4.39Å; V338-F340 HydrophobicContact CG2-CD1 4.47Å; F340-F342 HydrophobicContact CD2-CD2 4.39Å; F340-F342 AromaticContact CD2-CE2 3.97Å; F340-F342 HydrophobicContact CD2-CE2 3.97Å; F340-F342 HydrophobicContact CD2-CZ 4.13Å; F340-F342 HydrophobicContact CE2-CD2 4.2Å; F340-F342 HydrophobicContact CE2-CE1 4.43Å; F340-F342 AromaticContact CE2-CE2 3.38Å; F340-F342 HydrophobicContact CE2-CE2 3.38Å; F340-F342 AromaticContact CE2-CZ 3.53Å; F340-F342 HydrophobicContact CE2-CZ 3.53Å; F340-F342 HydrophobicContact CZ-CE2 4.42Å |
| 341 | S | 93 | Very high | 89.1 | Confident | 16 Ų | 16 | 42.4 Ų | 42.4 | 11% | 0.112 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 149.6 | 177.3 | 50.1 | 0 | 0 | 0 | 0 | 111.9 | Y152 E153 I154 I314 | Y152-S341 PolarHBondContact O-N 3.4Å; E153-S341 WeakPolarHBondContact CA-OG 3.15Å; E153-S341 WeakPolarHBondContact CB-OG 3.34Å; E153-S341 WeakPolarHBondContact CG-OG 3.06Å; I154-S341 PolarHBondContact N-O 2.93Å; I314-S341 CarbonylContact O-C 3.55Å; I314-S341 WeakPolarHBondContact O-CA 3.42Å |
| 342 | F | 92.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 137.2 | 168.2 | -75.1 | -68.6 | 0 | 0 | 0 | 109.6 | I154 P235 I237 F305 L308 H313 I314 V316 F340 V344 | I154-F342 HydrophobicContact CB-CD1 3.8Å; I154-F342 HydrophobicContact CB-CE1 4Å; I154-F342 HydrophobicContact CD1-CE1 3.93Å; I154-F342 HydrophobicContact CD1-CZ 4.5Å; I154-F342 HydrophobicContact CG2-CD1 3.95Å; I154-F342 HydrophobicContact CG2-CE1 3.95Å; I154-F342 WeakPolarHBondContact O-CA 3.47Å; P235-F342 HydrophobicContact CB-CE1 4.44Å; P235-F342 HydrophobicContact CG-CD1 4.46Å; P235-F342 HydrophobicContact CG-CE1 3.76Å; P235-F342 HydrophobicContact CG-CZ 4.2Å; I237-F342 HydrophobicContact CD1-CE1 4.18Å; I237-F342 HydrophobicContact CD1-CZ 4.17Å; I237-F342 HydrophobicContact CG1-CE1 4.35Å; I237-F342 HydrophobicContact CG1-CZ 3.83Å; F305-F342 HydrophobicContact CD1-CE2 4.02Å; F305-F342 HydrophobicContact CD1-CZ 4.48Å; F305-F342 HydrophobicContact CD2-CE2 4.12Å; F305-F342 AromaticContact CD2-CZ 3.76Å; F305-F342 HydrophobicContact CD2-CZ 3.76Å; F305-F342 AromaticContact CE1-CE2 3.9Å; F305-F342 HydrophobicContact CE1-CE2 3.9Å; F305-F342 HydrophobicContact CE1-CZ 4.47Å; F305-F342 HydrophobicContact CE2-CE2 4.01Å; F305-F342 AromaticContact CE2-CZ 3.77Å; F305-F342 HydrophobicContact CE2-CZ 3.77Å; F305-F342 HydrophobicContact CG-CE2 4.14Å; F305-F342 HydrophobicContact CG-CZ 4.15Å; F305-F342 AromaticContact CZ-CE2 3.9Å; F305-F342 HydrophobicContact CZ-CE2 3.9Å; F305-F342 HydrophobicContact CZ-CZ 4.14Å; L308-F342 HydrophobicContact CD1-CD2 4.31Å; L308-F342 HydrophobicContact CD2-CB 4.38Å; L308-F342 HydrophobicContact CD2-CD1 4.37Å; L308-F342 HydrophobicContact CD2-CG 4.25Å; H313-F342 WeakPolarHBondContact CA-O 3.47Å; I314-F342 HydrophobicContact CD1-CD2 4.18Å; I314-F342 HydrophobicContact CG1-CB 3.8Å; I314-F342 HydrophobicContact CG1-CD2 4.17Å; I314-F342 HydrophobicContact CG1-CG 4.5Å; I314-F342 PolarHBondContact N-O 3.5Å; I314-F342 VanDerWaalsContact N-O 3.07Å; I314-F342 PolarHBondContact O-N 3.17Å; V316-F342 HydrophobicContact CG2-CD2 3.89Å; V316-F342 HydrophobicContact CG2-CE2 4.03Å; F340-F342 HydrophobicContact CD2-CD2 4.39Å; F340-F342 AromaticContact CD2-CE2 3.97Å; F340-F342 HydrophobicContact CD2-CE2 3.97Å; F340-F342 HydrophobicContact CD2-CZ 4.13Å; F340-F342 HydrophobicContact CE2-CD2 4.2Å; F340-F342 HydrophobicContact CE2-CE1 4.43Å; F340-F342 AromaticContact CE2-CE2 3.38Å; F340-F342 HydrophobicContact CE2-CE2 3.38Å; F340-F342 AromaticContact CE2-CZ 3.53Å; F340-F342 HydrophobicContact CE2-CZ 3.53Å; F340-F342 HydrophobicContact CZ-CE2 4.42Å; F342-V344 HydrophobicContact CB-CG2 4.35Å; F342-V344 HydrophobicContact CD1-CG2 4.39Å |
| 343 | D | 91.5 | Very high | 89.8 | Confident | 67 Ų | 67 | 34.4 Ų | 34.4 | 36% | 0.358 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 99.2 | 165.3 | -171.5 | -0.4 | 0 | 0 | 0 | 107.3 | I154 A155 F156 | I154-D343 PolarHBondContact O-N 3.01Å; A155-D343 VanDerWaalsContact CA-O 3.26Å; A155-D343 WeakPolarHBondContact CA-O 3.46Å; A155-D343 HydrophobicContact CB-CB 4.09Å; F156-D343 PolarHBondContact N-O 3.38Å |
| 344 | V | 88.8 | Confident | 90.2 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 106.8 | -171.6 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | F156 L308 Y310 D311 F342 | F156-V344 HydrophobicContact CD1-CG2 4.23Å; F156-V344 HydrophobicContact CE1-CG1 4.39Å; F156-V344 HydrophobicContact CE1-CG2 3.57Å; F156-V344 HydrophobicContact CE2-CG1 3.9Å; F156-V344 HydrophobicContact CZ-CB 4.44Å; F156-V344 HydrophobicContact CZ-CG1 3.8Å; F156-V344 HydrophobicContact CZ-CG2 3.76Å; F156-V344 CarbonylContact O-C 3.34Å; F156-V344 WeakPolarHBondContact O-CA 3.39Å; L308-V344 HydrophobicContact CD2-CB 4.04Å; L308-V344 HydrophobicContact CD2-CG2 3.35Å; Y310-V344 CarbonylContact C-O 3.5Å; Y310-V344 VanDerWaalsContact CA-O 3.31Å; Y310-V344 WeakPolarHBondContact CA-O 3.45Å; Y310-V344 HydrophobicContact CD1-CG1 3.85Å; Y310-V344 HydrophobicContact CE1-CG1 3.95Å; D311-V344 PolarHBondContact N-O 2.86Å; F342-V344 HydrophobicContact CB-CG2 4.35Å; F342-V344 HydrophobicContact CD1-CG2 4.39Å |
| 345 | G | 86.7 | Confident | 90.3 | Very high | 11 Ų | 11 | 18.3 Ų | 18.3 | 11% | 0.113 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 149.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F156 N157 A158 | F156-G345 PolarHBondContact O-N 3.23Å; N157-G345 WeakPolarHBondContact CA-O 3.45Å; A158-G345 PolarHBondContact N-O 3.12Å |
| 346 | A | 75.4 | Confident | 90.1 | Very high | 65 Ų | 65 | 17.4 Ų | 17.4 | 54% | 0.537 | 12% | 0.121 | S | C | . | . | trans | -73.4 | 0 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N157 S159 Y310 | N157-A346 VanDerWaalsContact CG-O 3.31Å; N157-A346 PolarHBondContact ND2-O 2.99Å; N157-A346 PolarHBondContact OD1-O 3.42Å; N157-A346 PolarHBondContact OD1-OXT 3.31Å; S159-A346 VanDerWaalsContact CB-OXT 3.28Å; S159-A346 WeakPolarHBondContact CB-OXT 3.29Å; S159-A346 PolarHBondContact N-OXT 2.94Å; S159-A346 PolarHBondContact OG-OXT 3.42Å; Y310-A346 HydrophobicContact CD1-CB 4.22Å; Y310-A346 HydrophobicContact CG-CB 4.26Å |
Retrieved 346 of 346 residues in 176.3 ms
(Link to these results)