| 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 | 30.7 | Very low | 37 | Very low | 243 Ų | 243 | 146.5 Ų | 146.5 | 100% | 1.197 | 82% | 0.823 | S | S | * | * | 0 | 118.8 | 0 | -82.4 | 179.8 | 163.2 | 0 | 0 | 106.9 | |||||
| 2 | D | 42.9 | Very low | 37.3 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | -57.2 | 159.4 | 167.2 | -58 | -91.8 | 0 | 0 | 0 | 110.9 | ||||
| 3 | P | 48.1 | Very low | 37.3 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | -135.4 | -174.5 | 50.8 | 38.5 | -16.3 | 0 | 0 | 0 | 113.6 | |||||
| 4 | S | 33.4 | Very low | 37.1 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | cis | -155.5 | 138.6 | 26.9 | -61.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 5 | Y | 40.1 | Very low | 36.6 | Very low | 208 Ų | 208 | 143.4 Ų | 143.4 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | 47.9 | 114 | 129.1 | -135.8 | -94.4 | 0 | 0 | 0 | 122 | |||||
| 6 | C | 31.9 | Very low | 36.3 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | -165.8 | 140.1 | 116.1 | -112.4 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 7 | P | 46.7 | Very low | 35.9 | Very low | 101 Ų | 101 | 142.4 Ų | 142.4 | 66% | 0.656 | 82% | 0.815 | S | S | * | * | trans | -94.3 | 160.2 | -170.4 | 36.7 | -36.1 | 0 | 0 | 0 | 114.7 | ||||
| 8 | A | 40 | Very low | 35.5 | Very low | 95 Ų | 95 | 147.8 Ų | 147.8 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | -93.4 | 149 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 9 | H | 32.8 | Very low | 35.5 | Very low | 195 Ų | 195 | 145.7 Ų | 145.7 | 90% | 0.903 | 81% | 0.814 | S | S | * | * | trans | -140.6 | 142.6 | 158.4 | -97.3 | -94.4 | 0 | 0 | 0 | 107.9 | ||||
| 10 | G | 29.7 | Very low | 35.3 | Very low | 61 Ų | 61 | 146.9 Ų | 146.9 | 63% | 0.629 | 82% | 0.818 | S | S | * | * | trans | -129.6 | 165.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 11 | F | 31 | Very low | 35 | Very low | 209 Ų | 209 | 145.2 Ų | 145.2 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | trans | -152.9 | 166.7 | 170.4 | -92.6 | -53.9 | 0 | 0 | 0 | 109 | ||||
| 12 | P | 40.3 | Very low | 35 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 66% | 0.662 | 79% | 0.794 | S | S | * | * | trans | -123 | -179.4 | -137 | 38.2 | -20.9 | 0 | 0 | 0 | 114.5 | ||||
| 13 | S | 37.6 | Very low | 34.5 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -62.6 | 143.2 | 166.5 | -164.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 14 | Q | 33.9 | Very low | 33.5 | Very low | 174 Ų | 174 | 142 Ų | 142 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -157.3 | 137.3 | 163.8 | -133.9 | 170.8 | 116.4 | 0 | 0 | 110.7 | ||||
| 15 | D | 30.4 | Very low | 33.2 | Very low | 147 Ų | 147 | 149 Ų | 149 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | -72.8 | 148.3 | -178.2 | -56.9 | -95.4 | 0 | 0 | 0 | 113.1 | ||||
| 16 | A | 31.2 | Very low | 32.6 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -117.7 | 88 | 167 | 0 | 0 | 0 | 0 | 0 | 109.4 | W18 | A16-W18 PolarHBondContact O-N 2.96Š| ||
| 17 | L | 29.7 | Very low | 32.4 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -62.6 | 125.6 | 177.7 | -71.5 | 155.2 | 0 | 0 | 0 | 110.9 | P19 | L17-P19 WeakPolarHBondContact O-CD 3.42Š| ||
| 18 | W | 28.9 | Very low | 31.6 | Very low | 240 Ų | 240 | 141.4 Ų | 141.4 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -89.9 | 113.5 | 169.5 | -163.4 | -81.6 | 0 | 0 | 0 | 110.1 | A16 L20 | A16-W18 PolarHBondContact O-N 2.96Å; W18-L20 PolarHBondContact O-N 3.12Å | ||
| 19 | P | 35.3 | Very low | 31 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | trans | -78.4 | 119.5 | -177.5 | 30.3 | -33.2 | 0 | 0 | 0 | 111.5 | L17 S21 | L17-P19 WeakPolarHBondContact O-CD 3.42Å; P19-S21 PolarHBondContact O-N 3.44Å | ||
| 20 | L | 31.7 | Very low | 30.7 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | trans | -70.9 | 117.1 | 160.1 | -94.6 | 161 | 0 | 0 | 0 | 109.3 | W18 | W18-L20 PolarHBondContact O-N 3.12Š| ||
| 21 | S | 28.8 | Very low | 30.6 | Very low | 111 Ų | 111 | 149.2 Ų | 149.2 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -148.3 | 102.7 | 161.7 | -170.2 | 0 | 0 | 0 | 0 | 110.9 | P19 | P19-S21 PolarHBondContact O-N 3.44Š| ||
| 22 | S | 30.4 | Very low | 30.5 | Very low | 106 Ų | 106 | 147.1 Ų | 147.1 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -87.9 | 107 | 168.5 | -66.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 23 | Q | 31.8 | Very low | 30.3 | Very low | 179 Ų | 179 | 148.2 Ų | 148.2 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | -164.5 | 155 | 152.1 | -117.1 | 154.3 | 110.3 | 0 | 0 | 114.6 | ||||
| 24 | Q | 27.7 | Very low | 29.9 | Very low | 164 Ų | 164 | 147 Ų | 147 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | 70.3 | 63.8 | 152.5 | -148.4 | 155.8 | 35.7 | 0 | 0 | 118.1 | S26 | Q24-S26 PolarHBondContact O-N 2.83Š| ||
| 25 | W | 26.3 | Very low | 29.8 | Very low | 251 Ų | 251 | 143.8 Ų | 143.8 | 95% | 0.951 | 80% | 0.801 | S | S | * | * | trans | -67.7 | 111.6 | 147.6 | -172.3 | -79.8 | 0 | 0 | 0 | 108.5 | ||||
| 26 | S | 29 | Very low | 29.9 | Very low | 85 Ų | 85 | 140.6 Ų | 140.6 | 59% | 0.594 | 80% | 0.804 | S | S | * | * | trans | -127 | 138.9 | 171.9 | -70.1 | 0 | 0 | 0 | 0 | 109.3 | Q24 | Q24-S26 PolarHBondContact O-N 2.83Š| ||
| 27 | S | 28.1 | Very low | 29.8 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -54.7 | 159.5 | 171.8 | -48.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 28 | A | 28.4 | Very low | 29.9 | Very low | 77 Ų | 77 | 137.7 Ų | 137.7 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | cis | -172.5 | -172.2 | 44.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 29 | H | 27.4 | Very low | 30.3 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | 74.8 | 111.1 | 159.5 | -69.7 | -68 | 0 | 0 | 0 | 120.4 | ||||
| 30 | Y | 27.5 | Very low | 30.1 | Very low | 209 Ų | 209 | 132.4 Ų | 132.4 | 82% | 0.82 | 80% | 0.799 | S | S | * | * | trans | -46.3 | 151.1 | 147.7 | -97.9 | -114.8 | 0 | 0 | 0 | 113.1 | ||||
| 31 | S | 27.3 | Very low | 30.2 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -151.2 | 131.6 | 143.5 | -78 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 32 | E | 29.6 | Very low | 30.3 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 136.8 | -175.9 | -178.7 | -171 | 131.2 | 0 | 0 | 110 | ||
| 33 | P | 34.3 | Very low | 30.4 | Very low | 125 Ų | 125 | 134 Ų | 134 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 116.7 | 171.4 | 32.2 | -30 | 0 | 0 | 0 | 110.9 | ||
| 34 | A | 29.7 | Very low | 30.6 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 157.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 35 | A | 32.9 | Very low | 31.1 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 137.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 36 | G | 30.9 | Very low | 31.4 | Very low | 81 Ų | 81 | 124.8 Ų | 124.8 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 119.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 37 | G | 29.6 | Very low | 31.7 | Very low | 76 Ų | 76 | 125.7 Ų | 125.7 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -88 | 158 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 38 | C | 32.2 | Very low | 32.3 | Very low | 132 Ų | 132 | 125 Ų | 125 | 89% | 0.892 | 81% | 0.813 | S | S | * | * | trans | -140.1 | 138.6 | 171.2 | -76.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 39 | N | 36.3 | Very low | 33.1 | Very low | 176 Ų | 176 | 127.3 Ų | 127.3 | 94% | 0.941 | 82% | 0.822 | S | S | * | * | trans | -136.7 | 148.9 | 178.4 | -98.7 | -28.5 | 0 | 0 | 0 | 109.5 | ||||
| 40 | G | 31.1 | Very low | 33.5 | Very low | 62 Ų | 62 | 121.7 Ų | 121.7 | 64% | 0.639 | 81% | 0.813 | S | S | * | * | trans | 108.7 | 103.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 41 | T | 34.9 | Very low | 34.3 | Very low | 135 Ų | 135 | 118 Ų | 118 | 83% | 0.828 | 82% | 0.815 | S | S | * | * | 68.9 | 107.1 | 75 | 63 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 42 | E | 31.4 | Very low | 35.1 | Very low | 192 Ų | 192 | 116.5 Ų | 116.5 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | 172.5 | 168 | 113.3 | -92.6 | -159.4 | 111 | 0 | 0 | 114.6 | |||||
| 43 | A | 32.2 | Very low | 36.2 | Very low | 91 Ų | 91 | 115.5 Ų | 115.5 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | trans | 61.2 | 89.7 | 151 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 44 | M | 36.9 | Very low | 36.9 | Very low | 162 Ų | 162 | 113.9 Ų | 113.9 | 80% | 0.798 | 81% | 0.812 | S | S | * | * | trans | 2.2 | 153.6 | 131.9 | -57 | 168.2 | 69.4 | 0 | 0 | 122.4 | ||||
| 45 | N | 37.4 | Very low | 38.3 | Very low | 158 Ų | 158 | 113.4 Ų | 113.4 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | 90.4 | 135 | 155.4 | -52.8 | -48.5 | 0 | 0 | 0 | 118.9 | ||||
| 46 | G | 32.3 | Very low | 39.2 | Very low | 81 Ų | 81 | 114.1 Ų | 114.1 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | 155.1 | 107.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 47 | A | 35.1 | Very low | 40.7 | Very low | 104 Ų | 104 | 116.4 Ų | 116.4 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -74 | 152 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 48 | A | 41.3 | Very low | 42 | Very low | 96 Ų | 96 | 118 Ų | 118 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | -65.1 | 157.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 49 | P | 44.5 | Very low | 43.4 | Very low | 126 Ų | 126 | 117.9 Ų | 117.9 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | -142.9 | 141.3 | 106.4 | 36.7 | -24.2 | 0 | 0 | 0 | 115.2 | |||||
| 50 | G | 35.9 | Very low | 44.8 | Very low | 64 Ų | 64 | 115 Ų | 115 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | trans | 69.1 | 121.4 | 147.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | A52 | G50-A52 PolarHBondContact O-N 3.15Š| ||
| 51 | P | 45.1 | Very low | 46.3 | Very low | 132 Ų | 132 | 118.2 Ų | 118.2 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | -72.1 | 94.8 | 167 | 30.8 | -32.8 | 0 | 0 | 0 | 110.2 | T53 | P51-T53 PolarHBondContact O-N 3.08Š| ||
| 52 | A | 43.4 | Very low | 48 | Very low | 93 Ų | 93 | 117 Ų | 117 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -58.3 | 133.5 | 163 | 0 | 0 | 0 | 0 | 0 | 108.9 | G50 A54 | G50-A52 PolarHBondContact O-N 3.15Å; A52-A54 PolarHBondContact O-N 3.34Å | ||
| 53 | T | 52.5 | Low | 50.6 | Low | 143 Ų | 143 | 110.8 Ų | 110.8 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | trans | -70.5 | 89.6 | -170.7 | -44.4 | 0 | 0 | 0 | 0 | 111.1 | P51 A55 | P51-T53 PolarHBondContact O-N 3.08Å; T53-A55 PolarHBondContact O-N 3.03Å; T53-A55 VanDerWaalsContact O-N 3.12Å | ||
| 54 | A | 50.3 | Low | 53.3 | Low | 91 Ų | 91 | 114.2 Ų | 114.2 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | -60.1 | 114.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | A52 | A52-A54 PolarHBondContact O-N 3.34Š| ||
| 55 | A | 58.1 | Low | 55.9 | Low | 81 Ų | 81 | 113.9 Ų | 113.9 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 142.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | T53 V57 | T53-A55 PolarHBondContact O-N 3.03Å; T53-A55 VanDerWaalsContact O-N 3.12Å; A55-V57 PolarHBondContact O-N 3.01Å; A55-V57 VanDerWaalsContact O-N 3.08Å |
| 56 | P | 53 | Low | 58.3 | Low | 121 Ų | 121 | 112.5 Ų | 112.5 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 118.8 | -179.7 | 24.9 | -33.5 | 0 | 0 | 0 | 109.5 | P58 | P56-P58 WeakPolarHBondContact O-CD 3.43Š|
| 57 | V | 61.8 | Low | 60.9 | Low | 128 Ų | 128 | 114.4 Ų | 114.4 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 124 | 170.7 | 178.7 | 0 | 0 | 0 | 0 | 107.2 | A55 V59 | A55-V57 PolarHBondContact O-N 3.01Å; A55-V57 VanDerWaalsContact O-N 3.08Å; V57-V59 PolarHBondContact O-N 3.29Å; V57-V59 VanDerWaalsContact O-N 3.08Å |
| 58 | P | 57.3 | Low | 63.4 | Low | 111 Ų | 111 | 112.6 Ų | 112.6 | 72% | 0.721 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 119.2 | 178 | -25 | 34.7 | 0 | 0 | 0 | 109.6 | P56 P60 | P56-P58 WeakPolarHBondContact O-CD 3.43Å; P58-P60 WeakPolarHBondContact O-CD 3.13Å |
| 59 | V | 60 | Low | 65.8 | Low | 129 Ų | 129 | 113.5 Ų | 113.5 | 78% | 0.782 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 125 | 171.2 | 179.8 | 0 | 0 | 0 | 0 | 106.8 | V57 V61 | V57-V59 PolarHBondContact O-N 3.29Å; V57-V59 VanDerWaalsContact O-N 3.08Å; V59-V61 PolarHBondContact O-N 3.24Å; V59-V61 VanDerWaalsContact O-N 3.08Å |
| 60 | P | 66.8 | Low | 68 | Low | 114 Ų | 114 | 112.6 Ų | 112.6 | 74% | 0.74 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 120.8 | 179.1 | -27 | 35.5 | 0 | 0 | 0 | 110 | P58 | P58-P60 WeakPolarHBondContact O-CD 3.13Š|
| 61 | V | 63.1 | Low | 70.5 | Confident | 131 Ų | 131 | 114.1 Ų | 114.1 | 79% | 0.794 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 129.1 | 172.2 | -176.2 | 0 | 0 | 0 | 0 | 106.7 | V59 D63 | V59-V61 PolarHBondContact O-N 3.24Å; V59-V61 VanDerWaalsContact O-N 3.08Å; V61-D63 PolarHBondContact O-N 3.08Å |
| 62 | P | 70.1 | Confident | 72.7 | Confident | 110 Ų | 110 | 110.6 Ų | 110.6 | 71% | 0.714 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 126.8 | -178.4 | 22.5 | -33.5 | 0 | 0 | 0 | 109.6 | W64 | P62-W64 PolarHBondContact O-N 3.08Å; P62-W64 VanDerWaalsContact O-N 3.17Å |
| 63 | D | 85.9 | Confident | 75 | Confident | 61 Ų | 61 | 111.5 Ų | 111.5 | 33% | 0.326 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 122 | -177.7 | -179.8 | 7.3 | 0 | 0 | 0 | 109.2 | V61 R65 Q66 F67 | V61-D63 PolarHBondContact O-N 3.08Å; D63-R65 PolarHBondContact O-N 2.83Å; D63-R65 VanDerWaalsContact O-N 3.13Å; D63-R65 WeakPolarHBondContact OD1-CB 3.32Å; D63-R65 WeakPolarHBondContact OD1-CG 3.27Å; D63-R65 PolarHBondContact OD1-N 3.23Å; D63-Q66 HydrophobicContact CB-CB 4.25Å; D63-Q66 HydrophobicContact CB-CG 4Å; D63-Q66 PolarHBondContact O-N 3.37Å; D63-F67 PolarHBondContact O-N 2.89Å |
| 64 | W | 88.3 | Confident | 76.8 | Confident | 163 Ų | 163 | 107.5 Ų | 107.5 | 62% | 0.617 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -58.4 | -27.4 | 178.8 | 68 | -92.9 | 0 | 0 | 0 | 111.4 | P62 C68 | P62-W64 PolarHBondContact O-N 3.08Å; P62-W64 VanDerWaalsContact O-N 3.17Å; W64-C68 WeakPolarHBondContact O-CB 3.44Å; W64-C68 PolarHBondContact O-N 2.96Å; W64-C68 PolarHBondContact O-SG 3.02Å |
| 65 | R | 91.3 | Very high | 78.7 | Confident | 154 Ų | 154 | 104.5 Ų | 104.5 | 58% | 0.581 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.3 | -49.2 | 174.8 | -57.5 | 177.8 | 173.2 | -77.1 | 0.6 | 111.2 | D63 F67 C68 E69 | D63-R65 PolarHBondContact O-N 2.83Å; D63-R65 VanDerWaalsContact O-N 3.13Å; D63-R65 WeakPolarHBondContact OD1-CB 3.32Å; D63-R65 WeakPolarHBondContact OD1-CG 3.27Å; D63-R65 PolarHBondContact OD1-N 3.23Å; R65-F67 VanDerWaalsContact C-N 3.33Å; R65-F67 PolarHBondContact O-N 3.45Å; R65-C68 PolarHBondContact O-N 3.01Å; R65-E69 VanDerWaalsContact O-CB 3.3Å; R65-E69 WeakPolarHBondContact O-CB 3.36Å; R65-E69 PolarHBondContact O-N 3.27Å |
| 66 | Q | 88.9 | Confident | 80.4 | Confident | 129 Ų | 129 | 103.2 Ų | 103.2 | 60% | 0.603 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.8 | -38.5 | 176.4 | -64.9 | 178.9 | -2.3 | 0 | 0 | 111.6 | D63 E69 L70 | D63-Q66 HydrophobicContact CB-CB 4.25Å; D63-Q66 HydrophobicContact CB-CG 4Å; D63-Q66 PolarHBondContact O-N 3.37Å; Q66-E69 PolarHBondContact O-N 3.2Å; Q66-L70 WeakPolarHBondContact O-CB 3.46Å; Q66-L70 PolarHBondContact O-N 2.55Å |
| 67 | F | 85.8 | Confident | 82.3 | Confident | 122 Ų | 122 | 101.4 Ų | 101.4 | 54% | 0.535 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.7 | -50.4 | 172.9 | 174.3 | -91.2 | 0 | 0 | 0 | 111.6 | D63 R65 H71 | D63-F67 PolarHBondContact O-N 2.89Å; R65-F67 VanDerWaalsContact C-N 3.33Å; R65-F67 PolarHBondContact O-N 3.45Å; F67-H71 AromaticContact CD2-CE1 3.59Å; F67-H71 AromaticContact CD2-ND1 3.79Å; F67-H71 AromaticContact CE2-CE1 3.25Å; F67-H71 WeakPolarHBondContact CE2-CE1 3.44Å; F67-H71 AromaticContact CE2-ND1 3.67Å; F67-H71 AromaticContact CZ-CE1 3.74Å; F67-H71 AromaticContact CZ-ND1 3.85Å; F67-H71 PolarHBondContact O-N 3.34Å; F67-H71 PolarHBondContact O-ND1 2.64Å |
| 68 | C | 89 | Confident | 83.7 | Confident | 66 Ų | 66 | 99 Ų | 99 | 45% | 0.446 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 177.6 | -74.5 | 0 | 0 | 0 | 0 | 112 | W64 R65 H71 A72 | W64-C68 WeakPolarHBondContact O-CB 3.44Å; W64-C68 PolarHBondContact O-N 2.96Å; W64-C68 PolarHBondContact O-SG 3.02Å; R65-C68 PolarHBondContact O-N 3.01Å; C68-H71 PolarHBondContact O-N 2.77Å; C68-A72 WeakPolarHBondContact O-CB 3.49Å; C68-A72 PolarHBondContact O-N 2.93Å |
| 69 | E | 90.3 | Very high | 85.5 | Confident | 114 Ų | 114 | 96 Ų | 96 | 53% | 0.533 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -49 | 178.9 | -179.4 | 172.2 | -169.7 | 0 | 0 | 111.9 | R65 Q66 H71 A72 Q73 | R65-E69 VanDerWaalsContact O-CB 3.3Å; R65-E69 WeakPolarHBondContact O-CB 3.36Å; R65-E69 PolarHBondContact O-N 3.27Å; Q66-E69 PolarHBondContact O-N 3.2Å; E69-H71 VanDerWaalsContact C-N 3.32Å; E69-H71 PolarHBondContact O-N 2.92Å; E69-A72 PolarHBondContact O-N 2.72Å; E69-Q73 HydrophobicContact CG-CG 4.5Å; E69-Q73 WeakPolarHBondContact O-CB 3.32Å; E69-Q73 WeakPolarHBondContact O-CG 3.42Å; E69-Q73 PolarHBondContact O-N 3.28Å; E69-Q73 PolarHBondContact OE1-NE2 3.24Å |
| 70 | L | 90.9 | Very high | 87.1 | Confident | 107 Ų | 107 | 91.9 Ų | 91.9 | 56% | 0.56 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.6 | -41.7 | 178.8 | -178.2 | 149.1 | 0 | 0 | 0 | 112.1 | Q66 A74 | Q66-L70 WeakPolarHBondContact O-CB 3.46Å; Q66-L70 PolarHBondContact O-N 2.55Å; L70-A74 PolarHBondContact O-N 3.17Å |
| 71 | H | 89.4 | Confident | 88.3 | Confident | 96 Ų | 96 | 92.9 Ų | 92.9 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -76 | -32.5 | 178.6 | -68.3 | 85.1 | 0 | 0 | 0 | 112.6 | F67 C68 E69 A74 A75 | F67-H71 AromaticContact CD2-CE1 3.59Å; F67-H71 AromaticContact CD2-ND1 3.79Å; F67-H71 AromaticContact CE2-CE1 3.25Å; F67-H71 WeakPolarHBondContact CE2-CE1 3.44Å; F67-H71 AromaticContact CE2-ND1 3.67Å; F67-H71 AromaticContact CZ-CE1 3.74Å; F67-H71 AromaticContact CZ-ND1 3.85Å; F67-H71 PolarHBondContact O-N 3.34Å; F67-H71 PolarHBondContact O-ND1 2.64Å; C68-H71 PolarHBondContact O-N 2.77Å; E69-H71 VanDerWaalsContact C-N 3.32Å; E69-H71 PolarHBondContact O-N 2.92Å; H71-A74 PolarHBondContact O-N 3.4Å; H71-A75 WeakPolarHBondContact O-CB 3.45Å; H71-A75 PolarHBondContact O-N 2.77Å |
| 72 | A | 90.6 | Very high | 89.7 | Confident | 59 Ų | 59 | 92.4 Ų | 92.4 | 49% | 0.488 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | C68 E69 A75 A76 | C68-A72 WeakPolarHBondContact O-CB 3.49Å; C68-A72 PolarHBondContact O-N 2.93Å; E69-A72 PolarHBondContact O-N 2.72Å; A72-A75 PolarHBondContact O-N 2.84Å; A72-A76 VanDerWaalsContact O-CB 3.25Å; A72-A76 WeakPolarHBondContact O-CB 3.24Å; A72-A76 PolarHBondContact O-N 2.93Å |
| 73 | Q | 91.5 | Very high | 90.9 | Very high | 112 Ų | 112 | 88.8 Ų | 88.8 | 52% | 0.523 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 173 | -71.2 | 177.5 | 15.7 | 0 | 0 | 111.2 | E69 A75 A76 V77 | E69-Q73 HydrophobicContact CG-CG 4.5Å; E69-Q73 WeakPolarHBondContact O-CB 3.32Å; E69-Q73 WeakPolarHBondContact O-CG 3.42Å; E69-Q73 PolarHBondContact O-N 3.28Å; E69-Q73 PolarHBondContact OE1-NE2 3.24Å; Q73-A75 PolarHBondContact O-N 2.93Å; Q73-A76 PolarHBondContact O-N 2.79Å; Q73-V77 WeakPolarHBondContact O-CG2 3.39Å; Q73-V77 PolarHBondContact O-N 3Å |
| 74 | A | 89.7 | Confident | 91.2 | Very high | 59 Ų | 59 | 89.7 Ų | 89.7 | 49% | 0.488 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | L70 H71 V77 D78 | L70-A74 PolarHBondContact O-N 3.17Å; H71-A74 PolarHBondContact O-N 3.4Å; A74-V77 PolarHBondContact O-N 3.16Å; A74-D78 PolarHBondContact O-N 2.96Å; A74-D78 VanDerWaalsContact O-N 3.09Å |
| 75 | A | 91.4 | Very high | 91.5 | Very high | 28 Ų | 28 | 89.3 Ų | 89.3 | 23% | 0.231 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -65 | -39.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H71 A72 Q73 D78 F79 | H71-A75 WeakPolarHBondContact O-CB 3.45Å; H71-A75 PolarHBondContact O-N 2.77Å; A72-A75 PolarHBondContact O-N 2.84Å; Q73-A75 PolarHBondContact O-N 2.93Å; A75-D78 PolarHBondContact O-N 3.06Å; A75-F79 VanDerWaalsContact O-CB 3.32Å; A75-F79 WeakPolarHBondContact O-CB 3.28Å; A75-F79 PolarHBondContact O-N 3.13Å |
| 76 | A | 93.4 | Very high | 91.6 | Very high | 53 Ų | 53 | 85.2 Ų | 85.2 | 44% | 0.438 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65 | -39.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A72 Q73 A80 | A72-A76 VanDerWaalsContact O-CB 3.25Å; A72-A76 WeakPolarHBondContact O-CB 3.24Å; A72-A76 PolarHBondContact O-N 2.93Å; Q73-A76 PolarHBondContact O-N 2.79Å; A76-A80 WeakPolarHBondContact O-CB 3.37Å; A76-A80 PolarHBondContact O-N 3.22Å |
| 77 | V | 91.9 | Very high | 91.9 | Very high | 83 Ų | 83 | 79.8 Ų | 79.8 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.2 | -43.7 | 176.4 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | Q73 A74 A80 H81 | Q73-V77 WeakPolarHBondContact O-CG2 3.39Å; Q73-V77 PolarHBondContact O-N 3Å; A74-V77 PolarHBondContact O-N 3.16Å; V77-A80 PolarHBondContact O-N 3.33Å; V77-H81 VanDerWaalsContact CG1-CE1 3.49Å; V77-H81 WeakPolarHBondContact CG1-CE1 2.92Å; V77-H81 PolarHBondContact O-N 3.23Å; V77-H81 VanDerWaalsContact O-N 3.12Å; V77-H81 PolarHBondContact O-ND1 2.78Å |
| 78 | D | 91.8 | Very high | 92.2 | Very high | 79 Ų | 79 | 81.9 Ų | 81.9 | 42% | 0.422 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 174.8 | 172.4 | 70 | 0 | 0 | 0 | 112 | A74 A75 H81 K82 | A74-D78 PolarHBondContact O-N 2.96Å; A74-D78 VanDerWaalsContact O-N 3.09Å; A75-D78 PolarHBondContact O-N 3.06Å; D78-H81 PolarHBondContact O-N 2.95Å; D78-K82 WeakPolarHBondContact O-CG 3.25Å; D78-K82 PolarHBondContact O-N 2.8Å; D78-K82 VanDerWaalsContact O-N 3.17Å; D78-K82 WeakPolarHBondContact OD1-CE 3.44Å; D78-K82 IonicContact OD1-NZ 3.5Å; D78-K82 PolarHBondContact OD1-NZ 3.42Å; D78-K82 WeakPolarHBondContact OD2-CE 3.48Å; D78-K82 IonicContact OD2-NZ 2.78Å; D78-K82 PolarHBondContact OD2-NZ 3.26Å |
| 79 | F | 95.3 | Very high | 92.3 | Very high | 46 Ų | 46 | 82.4 Ų | 82.4 | 20% | 0.202 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63 | -44 | 175 | -178.1 | -108 | 0 | 0 | 0 | 112.1 | A75 H81 K82 F83 F102 F106 | A75-F79 VanDerWaalsContact O-CB 3.32Å; A75-F79 WeakPolarHBondContact O-CB 3.28Å; A75-F79 PolarHBondContact O-N 3.13Å; F79-H81 PolarHBondContact O-N 3.21Å; F79-K82 CarbonylContact O-C 3.56Å; F79-K82 PolarHBondContact O-N 3.09Å; F79-K82 VanDerWaalsContact O-N 3.14Å; F79-F83 HydrophobicContact CE1-CB 4.4Å; F79-F83 VanDerWaalsContact O-CB 3.28Å; F79-F83 WeakPolarHBondContact O-CB 3.47Å; F79-F83 PolarHBondContact O-N 2.95Å; F79-F102 HydrophobicContact CZ-CB 4.32Å; F79-F106 HydrophobicContact CB-CD1 4.49Å; F79-F106 HydrophobicContact CB-CE1 4.11Å; F79-F106 HydrophobicContact CB-CE2 4.22Å; F79-F106 HydrophobicContact CB-CZ 3.97Å; F79-F106 HydrophobicContact CD1-CB 4.39Å; F79-F106 HydrophobicContact CD1-CD1 4.04Å; F79-F106 HydrophobicContact CD1-CE1 4.48Å; F79-F106 HydrophobicContact CD1-CG 4.07Å; F79-F106 HydrophobicContact CD2-CB 4.31Å; F79-F106 HydrophobicContact CD2-CD1 4.3Å; F79-F106 AromaticContact CD2-CD2 3.39Å; F79-F106 HydrophobicContact CD2-CD2 3.39Å; F79-F106 AromaticContact CD2-CE2 3.67Å; F79-F106 HydrophobicContact CD2-CE2 3.67Å; F79-F106 AromaticContact CD2-CG 3.74Å; F79-F106 HydrophobicContact CD2-CG 3.74Å; F79-F106 HydrophobicContact CD2-CZ 4.24Å; F79-F106 HydrophobicContact CE1-CB 3.9Å; F79-F106 HydrophobicContact CE1-CD1 4.37Å; F79-F106 HydrophobicContact CE1-CG 4.07Å; F79-F106 HydrophobicContact CE2-CB 3.8Å; F79-F106 AromaticContact CE2-CD2 3.56Å; F79-F106 HydrophobicContact CE2-CD2 3.56Å; F79-F106 HydrophobicContact CE2-CE2 4.3Å; F79-F106 AromaticContact CE2-CG 3.75Å; F79-F106 HydrophobicContact CE2-CG 3.75Å; F79-F106 HydrophobicContact CG-CD1 4.01Å; F79-F106 AromaticContact CG-CD2 3.92Å; F79-F106 HydrophobicContact CG-CD2 3.92Å; F79-F106 HydrophobicContact CG-CE1 4.12Å; F79-F106 HydrophobicContact CG-CE2 4.03Å; F79-F106 AromaticContact CG-CG 3.91Å; F79-F106 HydrophobicContact CG-CG 3.91Å; F79-F106 HydrophobicContact CG-CZ 4.13Å; F79-F106 HydrophobicContact CZ-CB 3.58Å; F79-F106 HydrophobicContact CZ-CD2 4.21Å; F79-F106 AromaticContact CZ-CG 3.91Å; F79-F106 HydrophobicContact CZ-CG 3.91Å |
| 80 | A | 94.4 | Very high | 92.3 | Very high | 44 Ų | 44 | 80 Ų | 80 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A76 V77 K82 F83 C84 | A76-A80 WeakPolarHBondContact O-CB 3.37Å; A76-A80 PolarHBondContact O-N 3.22Å; V77-A80 PolarHBondContact O-N 3.33Å; A80-K82 VanDerWaalsContact C-N 3.33Å; A80-K82 PolarHBondContact O-N 2.87Å; A80-F83 PolarHBondContact O-N 3.01Å; A80-C84 WeakPolarHBondContact O-CB 3.22Å; A80-C84 PolarHBondContact O-N 2.99Å; A80-C84 PolarHBondContact O-SG 3.47Å; A80-C84 VanDerWaalsContact O-SG 3.33Å |
| 81 | H | 91 | Very high | 92.4 | Very high | 135 Ų | 135 | 79.4 Ų | 79.4 | 63% | 0.625 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -61.6 | -40.1 | 174.7 | -70 | 126.2 | 0 | 0 | 0 | 112.6 | V77 D78 F79 R85 | V77-H81 VanDerWaalsContact CG1-CE1 3.49Å; V77-H81 WeakPolarHBondContact CG1-CE1 2.92Å; V77-H81 PolarHBondContact O-N 3.23Å; V77-H81 VanDerWaalsContact O-N 3.12Å; V77-H81 PolarHBondContact O-ND1 2.78Å; D78-H81 PolarHBondContact O-N 2.95Å; F79-H81 PolarHBondContact O-N 3.21Å; H81-R85 WeakPolarHBondContact O-CB 3.45Å; H81-R85 PolarHBondContact O-N 3.08Å; H81-R85 VanDerWaalsContact O-N 3.15Å |
| 82 | K | 93.3 | Very high | 92.5 | Very high | 121 Ų | 121 | 79.3 Ų | 79.3 | 53% | 0.526 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -69.8 | -38.2 | 177.2 | -71.1 | 167.4 | -178 | 168.4 | 0 | 112.1 | D78 F79 A80 F86 | D78-K82 WeakPolarHBondContact O-CG 3.25Å; D78-K82 PolarHBondContact O-N 2.8Å; D78-K82 VanDerWaalsContact O-N 3.17Å; D78-K82 WeakPolarHBondContact OD1-CE 3.44Å; D78-K82 IonicContact OD1-NZ 3.5Å; D78-K82 PolarHBondContact OD1-NZ 3.42Å; D78-K82 WeakPolarHBondContact OD2-CE 3.48Å; D78-K82 IonicContact OD2-NZ 2.78Å; D78-K82 PolarHBondContact OD2-NZ 3.26Å; F79-K82 CarbonylContact O-C 3.56Å; F79-K82 PolarHBondContact O-N 3.09Å; F79-K82 VanDerWaalsContact O-N 3.14Å; A80-K82 VanDerWaalsContact C-N 3.33Å; A80-K82 PolarHBondContact O-N 2.87Å; K82-F86 WeakPolarHBondContact O-CB 3.34Å; K82-F86 PolarHBondContact O-N 3.26Å |
| 83 | F | 94.4 | Very high | 92.4 | Very high | 34 Ų | 34 | 82.5 Ų | 82.5 | 15% | 0.149 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -65.9 | -52 | 176.2 | 169.3 | -104 | 0 | 0 | 0 | 112.1 | F79 A80 R85 F86 L87 A98 F102 | F79-F83 HydrophobicContact CE1-CB 4.4Å; F79-F83 VanDerWaalsContact O-CB 3.28Å; F79-F83 WeakPolarHBondContact O-CB 3.47Å; F79-F83 PolarHBondContact O-N 2.95Å; A80-F83 PolarHBondContact O-N 3.01Å; F83-R85 PolarHBondContact O-N 2.99Å; F83-F86 WeakPolarHBondContact O-CA 3.3Å; F83-F86 WeakPolarHBondContact O-CB 3.34Å; F83-F86 PolarHBondContact O-N 3.03Å; F83-L87 HydrophobicContact CD1-CD1 4.45Å; F83-L87 HydrophobicContact CD2-CG 4.4Å; F83-L87 HydrophobicContact CE1-CD1 3.73Å; F83-L87 HydrophobicContact CE1-CG 4.5Å; F83-L87 HydrophobicContact CE2-CD1 3.83Å; F83-L87 HydrophobicContact CE2-CD2 4.25Å; F83-L87 HydrophobicContact CE2-CG 3.99Å; F83-L87 HydrophobicContact CZ-CD1 3.38Å; F83-L87 HydrophobicContact CZ-CG 4.06Å; F83-L87 PolarHBondContact O-N 3.47Å; F83-A98 HydrophobicContact CE2-CB 4.44Å; F83-A98 HydrophobicContact CZ-CB 4.25Å; F83-F102 HydrophobicContact CD2-CB 3.87Å; F83-F102 AromaticContact CD2-CD1 3.82Å; F83-F102 HydrophobicContact CD2-CD1 3.82Å; F83-F102 AromaticContact CD2-CG 3.93Å; F83-F102 HydrophobicContact CD2-CG 3.93Å; F83-F102 HydrophobicContact CE2-CB 3.67Å; F83-F102 AromaticContact CE2-CD1 3.94Å; F83-F102 HydrophobicContact CE2-CD1 3.94Å; F83-F102 HydrophobicContact CE2-CD2 4.09Å; F83-F102 AromaticContact CE2-CG 3.65Å; F83-F102 HydrophobicContact CE2-CG 3.65Å |
| 84 | C | 93.4 | Very high | 92.4 | Very high | 80 Ų | 80 | 82.4 Ų | 82.4 | 54% | 0.541 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.5 | -34.9 | 177.3 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | A80 R88 | A80-C84 WeakPolarHBondContact O-CB 3.22Å; A80-C84 PolarHBondContact O-N 2.99Å; A80-C84 PolarHBondContact O-SG 3.47Å; A80-C84 VanDerWaalsContact O-SG 3.33Å; C84-R88 PolarHBondContact O-N 2.92Å |
| 85 | R | 93.7 | Very high | 92.5 | Very high | 155 Ų | 155 | 83 Ų | 83 | 59% | 0.585 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.5 | -48.2 | 168.8 | 174.4 | 164.7 | -168.9 | 168.5 | 3.4 | 111.7 | H81 F83 L87 R88 D89 | H81-R85 WeakPolarHBondContact O-CB 3.45Å; H81-R85 PolarHBondContact O-N 3.08Å; H81-R85 VanDerWaalsContact O-N 3.15Å; F83-R85 PolarHBondContact O-N 2.99Å; R85-L87 VanDerWaalsContact C-N 3.34Å; R85-L87 PolarHBondContact O-N 2.89Å; R85-R88 PolarHBondContact O-N 3.26Å; R85-D89 WeakPolarHBondContact CG-OD2 3.26Å; R85-D89 IonicContact CZ-OD2 2.84Å; R85-D89 IonicContact NE-OD2 2.77Å; R85-D89 PolarHBondContact NE-OD2 3.08Å; R85-D89 VanDerWaalsContact O-CB 3.24Å; R85-D89 WeakPolarHBondContact O-CB 3.44Å; R85-D89 PolarHBondContact O-N 3.29Å |
| 86 | F | 93.6 | Very high | 92.3 | Very high | 68 Ų | 68 | 88.8 Ų | 88.8 | 30% | 0.298 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59 | -43 | -179 | 178.9 | -92.1 | 0 | 0 | 0 | 112.4 | K82 F83 D89 N90 Y93 F102 | K82-F86 WeakPolarHBondContact O-CB 3.34Å; K82-F86 PolarHBondContact O-N 3.26Å; F83-F86 WeakPolarHBondContact O-CA 3.3Å; F83-F86 WeakPolarHBondContact O-CB 3.34Å; F83-F86 PolarHBondContact O-N 3.03Å; F86-D89 CarbonylContact O-C 3.53Å; F86-D89 PolarHBondContact O-N 3.16Å; F86-N90 HydrophobicContact CE1-CB 4.44Å; F86-N90 HydrophobicContact CZ-CB 4.4Å; F86-N90 WeakPolarHBondContact O-CB 3.21Å; F86-N90 PolarHBondContact O-N 3.27Å; F86-N90 PolarHBondContact O-ND2 3.49Å; F86-Y93 HydrophobicContact CE1-CD2 4.02Å; F86-Y93 HydrophobicContact CE1-CG 4.2Å; F86-Y93 HydrophobicContact CZ-CD2 4.21Å; F86-Y93 HydrophobicContact CZ-CE2 4.45Å; F86-F102 AromaticContact CD1-CE1 3.87Å; F86-F102 HydrophobicContact CD1-CE1 3.87Å; F86-F102 HydrophobicContact CD1-CZ 4.33Å; F86-F102 AromaticContact CE1-CE1 3.72Å; F86-F102 HydrophobicContact CE1-CE1 3.72Å; F86-F102 AromaticContact CE1-CZ 3.88Å; F86-F102 HydrophobicContact CE1-CZ 3.88Å |
| 87 | L | 94.9 | Very high | 92.1 | Very high | 14 Ų | 14 | 89.9 Ų | 89.9 | 7% | 0.073 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -65.1 | -48.2 | 177.1 | -69 | -173.1 | 0 | 0 | 0 | 112.4 | F83 R85 D89 N90 P91 D94 | F83-L87 HydrophobicContact CD1-CD1 4.45Å; F83-L87 HydrophobicContact CD2-CG 4.4Å; F83-L87 HydrophobicContact CE1-CD1 3.73Å; F83-L87 HydrophobicContact CE1-CG 4.5Å; F83-L87 HydrophobicContact CE2-CD1 3.83Å; F83-L87 HydrophobicContact CE2-CD2 4.25Å; F83-L87 HydrophobicContact CE2-CG 3.99Å; F83-L87 HydrophobicContact CZ-CD1 3.38Å; F83-L87 HydrophobicContact CZ-CG 4.06Å; F83-L87 PolarHBondContact O-N 3.47Å; R85-L87 VanDerWaalsContact C-N 3.34Å; R85-L87 PolarHBondContact O-N 2.89Å; L87-D89 VanDerWaalsContact C-N 3.28Å; L87-D89 PolarHBondContact O-N 2.79Å; L87-N90 CarbonylContact O-C 3.51Å; L87-N90 PolarHBondContact O-N 3.23Å; L87-P91 WeakPolarHBondContact O-CA 3.39Å; L87-P91 VanDerWaalsContact O-N 3.11Å; L87-D94 HydrophobicContact CD2-CB 4.38Å |
| 88 | R | 92.1 | Very high | 91.9 | Very high | 166 Ų | 166 | 86 Ų | 86 | 63% | 0.626 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -59.5 | -41 | 175.8 | -176.9 | -166.9 | 63.3 | -141.8 | -7.9 | 111.9 | C84 R85 N90 | C84-R88 PolarHBondContact O-N 2.92Å; R85-R88 PolarHBondContact O-N 3.26Å; R88-N90 VanDerWaalsContact C-N 3.26Å; R88-N90 PolarHBondContact O-N 2.83Å |
| 89 | D | 91.8 | Very high | 91.7 | Very high | 77 Ų | 77 | 84 Ų | 84 | 41% | 0.412 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -77.8 | -11.7 | 179.8 | -58.1 | 3.4 | 0 | 0 | 0 | 111.1 | R85 F86 L87 | R85-D89 WeakPolarHBondContact CG-OD2 3.26Å; R85-D89 IonicContact CZ-OD2 2.84Å; R85-D89 IonicContact NE-OD2 2.77Å; R85-D89 PolarHBondContact NE-OD2 3.08Å; R85-D89 VanDerWaalsContact O-CB 3.24Å; R85-D89 WeakPolarHBondContact O-CB 3.44Å; R85-D89 PolarHBondContact O-N 3.29Å; F86-D89 CarbonylContact O-C 3.53Å; F86-D89 PolarHBondContact O-N 3.16Å; L87-D89 VanDerWaalsContact C-N 3.28Å; L87-D89 PolarHBondContact O-N 2.79Å |
| 90 | N | 90.1 | Very high | 91.5 | Very high | 64 Ų | 64 | 83.9 Ų | 83.9 | 34% | 0.342 | 46% | 0.457 | S | S | . | . | trans | -146.2 | 71.1 | 178.7 | -53.2 | -99.2 | 0 | 0 | 0 | 113.1 | F86 L87 R88 A92 Y93 | F86-N90 HydrophobicContact CE1-CB 4.44Å; F86-N90 HydrophobicContact CZ-CB 4.4Å; F86-N90 WeakPolarHBondContact O-CB 3.21Å; F86-N90 PolarHBondContact O-N 3.27Å; F86-N90 PolarHBondContact O-ND2 3.49Å; L87-N90 CarbonylContact O-C 3.51Å; L87-N90 PolarHBondContact O-N 3.23Å; R88-N90 VanDerWaalsContact C-N 3.26Å; R88-N90 PolarHBondContact O-N 2.83Å; N90-A92 PolarHBondContact O-N 3.48Å; N90-Y93 HydrophobicContact CB-CD2 3.84Å; N90-Y93 HydrophobicContact CB-CE2 4.27Å; N90-Y93 PolarHBondContact O-N 3.36Å | ||
| 91 | P | 92.4 | Very high | 91.4 | Very high | 95 Ų | 95 | 84.2 Ų | 84.2 | 62% | 0.617 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -60.9 | -18 | -169.7 | -27.6 | 36.6 | 0 | 0 | 0 | 116.5 | L87 Y93 D94 | L87-P91 WeakPolarHBondContact O-CA 3.39Å; L87-P91 VanDerWaalsContact O-N 3.11Å; P91-Y93 PolarHBondContact O-N 3.46Å; P91-Y93 VanDerWaalsContact O-N 3.13Å; P91-D94 WeakPolarHBondContact O-CB 3.33Å; P91-D94 PolarHBondContact O-N 2.97Å; P91-D94 VanDerWaalsContact O-N 3.08Å |
| 92 | A | 92.6 | Very high | 91.5 | Very high | 94 Ų | 94 | 80.8 Ų | 80.8 | 78% | 0.777 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -64 | -13.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N90 | N90-A92 PolarHBondContact O-N 3.48Š|
| 93 | Y | 87.7 | Confident | 91.5 | Very high | 126 Ų | 126 | 77.6 Ų | 77.6 | 49% | 0.494 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -101.9 | -1.9 | 175.6 | -59 | -82 | 0 | 0 | 0 | 113.3 | F86 N90 P91 T95 A98 | F86-Y93 HydrophobicContact CE1-CD2 4.02Å; F86-Y93 HydrophobicContact CE1-CG 4.2Å; F86-Y93 HydrophobicContact CZ-CD2 4.21Å; F86-Y93 HydrophobicContact CZ-CE2 4.45Å; N90-Y93 HydrophobicContact CB-CD2 3.84Å; N90-Y93 HydrophobicContact CB-CE2 4.27Å; N90-Y93 PolarHBondContact O-N 3.36Å; P91-Y93 PolarHBondContact O-N 3.46Å; P91-Y93 VanDerWaalsContact O-N 3.13Å; Y93-T95 PolarHBondContact O-N 3.3Å; Y93-A98 WeakPolarHBondContact O-CB 3.47Å |
| 94 | D | 91.3 | Very high | 91.4 | Very high | 109 Ų | 109 | 83 Ų | 83 | 58% | 0.583 | 45% | 0.452 | S | S | * | . | trans | -78.6 | 72.3 | 179.4 | -163.2 | 10 | 0 | 0 | 0 | 110.6 | L87 P91 | L87-D94 HydrophobicContact CD2-CB 4.38Å; P91-D94 WeakPolarHBondContact O-CB 3.33Å; P91-D94 PolarHBondContact O-N 2.97Å; P91-D94 VanDerWaalsContact O-N 3.08Å | ||
| 95 | T | 92.3 | Very high | 91.3 | Very high | 73 Ų | 73 | 85.5 Ų | 85.5 | 45% | 0.448 | 46% | 0.456 | S | S | . | . | trans | -102.5 | 154 | 178.4 | 61.9 | 0 | 0 | 0 | 0 | 110 | Y93 D97 A98 | Y93-T95 PolarHBondContact O-N 3.3Å; T95-D97 PolarHBondContact O-N 2.89Å; T95-D97 VanDerWaalsContact O-N 3.11Å; T95-A98 WeakPolarHBondContact O-CB 3.39Å; T95-A98 PolarHBondContact O-N 2.99Å; T95-A98 PolarHBondContact OG1-N 3.16Å | ||
| 96 | P | 87.2 | Confident | 91.4 | Very high | 148 Ų | 148 | 81.4 Ų | 81.4 | 96% | 0.961 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -22.5 | -176.9 | 22.1 | -33.3 | 0 | 0 | 0 | 114.8 | ||
| 97 | D | 89.6 | Confident | 91.4 | Very high | 76 Ų | 76 | 80.7 Ų | 80.7 | 41% | 0.406 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -4.6 | 172.1 | -170 | 70.3 | 0 | 0 | 0 | 113.4 | T95 G99 A100 S101 R104 | T95-D97 PolarHBondContact O-N 2.89Å; T95-D97 VanDerWaalsContact O-N 3.11Å; D97-G99 VanDerWaalsContact C-N 3.27Å; D97-G99 PolarHBondContact O-N 2.9Å; D97-G99 VanDerWaalsContact O-N 3.14Å; D97-A100 PolarHBondContact O-N 3.47Å; D97-S101 PolarHBondContact O-N 3.45Å; D97-S101 WeakPolarHBondContact OD2-CB 3.21Å; D97-S101 PolarHBondContact OD2-OG 2.84Å; D97-R104 IonicContact OD1-NH2 2.67Å; D97-R104 PolarHBondContact OD1-NH2 3.01Å; D97-R104 IonicContact OD2-NH2 3.56Å; D97-R104 PolarHBondContact OD2-NH2 3.11Å |
| 98 | A | 87.1 | Confident | 91.2 | Very high | 1 Ų | 1 | 82.3 Ų | 82.3 | 1% | 0.008 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -53.8 | -42.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F83 Y93 T95 A100 S101 F102 | F83-A98 HydrophobicContact CE2-CB 4.44Å; F83-A98 HydrophobicContact CZ-CB 4.25Å; Y93-A98 WeakPolarHBondContact O-CB 3.47Å; T95-A98 WeakPolarHBondContact O-CB 3.39Å; T95-A98 PolarHBondContact O-N 2.99Å; T95-A98 PolarHBondContact OG1-N 3.16Å; A98-A100 VanDerWaalsContact C-N 3.35Å; A98-A100 PolarHBondContact O-N 2.72Å; A98-S101 PolarHBondContact O-N 2.79Å; A98-F102 HydrophobicContact CB-CD2 4.31Å; A98-F102 HydrophobicContact CB-CE2 4.41Å; A98-F102 VanDerWaalsContact O-CB 3.25Å; A98-F102 WeakPolarHBondContact O-CB 3.43Å; A98-F102 WeakPolarHBondContact O-CD2 3.41Å; A98-F102 PolarHBondContact O-N 2.92Å |
| 99 | G | 88.3 | Confident | 91.1 | Very high | 38 Ų | 38 | 77.9 Ų | 77.9 | 39% | 0.392 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D97 S103 | D97-G99 VanDerWaalsContact C-N 3.27Å; D97-G99 PolarHBondContact O-N 2.9Å; D97-G99 VanDerWaalsContact O-N 3.14Å; G99-S103 WeakPolarHBondContact O-CB 3.44Å; G99-S103 PolarHBondContact O-N 2.84Å; G99-S103 PolarHBondContact O-OG 3.08Å |
| 100 | A | 91.3 | Very high | 91.2 | Very high | 44 Ų | 44 | 78.8 Ų | 78.8 | 36% | 0.364 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -78.4 | -38.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D97 A98 S103 R104 | D97-A100 PolarHBondContact O-N 3.47Å; A98-A100 VanDerWaalsContact C-N 3.35Å; A98-A100 PolarHBondContact O-N 2.72Å; A100-S103 PolarHBondContact O-OG 2.86Å; A100-R104 WeakPolarHBondContact O-CB 3.37Å; A100-R104 VanDerWaalsContact O-CG 3.22Å; A100-R104 WeakPolarHBondContact O-CG 3.29Å; A100-R104 PolarHBondContact O-N 3Å; A100-R104 VanDerWaalsContact O-N 3.14Å; A100-R104 PolarHBondContact O-NE 2.81Å |
| 101 | S | 91.1 | Very high | 91.2 | Very high | 51 Ų | 51 | 81.3 Ų | 81.3 | 36% | 0.357 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.7 | -46.6 | 175.9 | -88.2 | 0 | 0 | 0 | 0 | 112.6 | D97 A98 R104 H105 | D97-S101 PolarHBondContact O-N 3.45Å; D97-S101 WeakPolarHBondContact OD2-CB 3.21Å; D97-S101 PolarHBondContact OD2-OG 2.84Å; A98-S101 PolarHBondContact O-N 2.79Å; S101-R104 PolarHBondContact OG-NH2 2.93Å; S101-H105 WeakPolarHBondContact O-CB 3.48Å; S101-H105 PolarHBondContact O-N 3.29Å |
| 102 | F | 92.6 | Very high | 90.8 | Very high | 62 Ų | 62 | 82.1 Ų | 82.1 | 27% | 0.272 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.6 | -38.7 | 179.4 | -79.7 | -118.5 | 0 | 0 | 0 | 112 | F79 F83 F86 A98 H105 F106 | F79-F102 HydrophobicContact CZ-CB 4.32Å; F83-F102 HydrophobicContact CD2-CB 3.87Å; F83-F102 AromaticContact CD2-CD1 3.82Å; F83-F102 HydrophobicContact CD2-CD1 3.82Å; F83-F102 AromaticContact CD2-CG 3.93Å; F83-F102 HydrophobicContact CD2-CG 3.93Å; F83-F102 HydrophobicContact CE2-CB 3.67Å; F83-F102 AromaticContact CE2-CD1 3.94Å; F83-F102 HydrophobicContact CE2-CD1 3.94Å; F83-F102 HydrophobicContact CE2-CD2 4.09Å; F83-F102 AromaticContact CE2-CG 3.65Å; F83-F102 HydrophobicContact CE2-CG 3.65Å; F86-F102 AromaticContact CD1-CE1 3.87Å; F86-F102 HydrophobicContact CD1-CE1 3.87Å; F86-F102 HydrophobicContact CD1-CZ 4.33Å; F86-F102 AromaticContact CE1-CE1 3.72Å; F86-F102 HydrophobicContact CE1-CE1 3.72Å; F86-F102 AromaticContact CE1-CZ 3.88Å; F86-F102 HydrophobicContact CE1-CZ 3.88Å; A98-F102 HydrophobicContact CB-CD2 4.31Å; A98-F102 HydrophobicContact CB-CE2 4.41Å; A98-F102 VanDerWaalsContact O-CB 3.25Å; A98-F102 WeakPolarHBondContact O-CB 3.43Å; A98-F102 WeakPolarHBondContact O-CD2 3.41Å; A98-F102 PolarHBondContact O-N 2.92Å; F102-H105 PolarHBondContact O-N 3.48Å; F102-F106 VanDerWaalsContact O-CB 3.29Å; F102-F106 WeakPolarHBondContact O-CB 3.28Å; F102-F106 PolarHBondContact O-N 3.23Å |
| 103 | S | 93.4 | Very high | 90.5 | Very high | 55 Ų | 55 | 82.1 Ų | 82.1 | 39% | 0.385 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.4 | -41.1 | 177 | 57.3 | 0 | 0 | 0 | 0 | 112.9 | G99 A100 F106 A107 | G99-S103 WeakPolarHBondContact O-CB 3.44Å; G99-S103 PolarHBondContact O-N 2.84Å; G99-S103 PolarHBondContact O-OG 3.08Å; A100-S103 PolarHBondContact O-OG 2.86Å; S103-F106 PolarHBondContact O-N 3.46Å; S103-A107 WeakPolarHBondContact O-CB 3.35Å; S103-A107 PolarHBondContact O-N 3.49Å |
| 104 | R | 93.7 | Very high | 90.6 | Very high | 147 Ų | 147 | 81.5 Ų | 81.5 | 56% | 0.555 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -59 | -46.1 | 171.8 | -78.4 | 177.6 | -70.5 | 171.3 | -5.5 | 111.7 | D97 A100 S101 A107 A108 | D97-R104 IonicContact OD1-NH2 2.67Å; D97-R104 PolarHBondContact OD1-NH2 3.01Å; D97-R104 IonicContact OD2-NH2 3.56Å; D97-R104 PolarHBondContact OD2-NH2 3.11Å; A100-R104 WeakPolarHBondContact O-CB 3.37Å; A100-R104 VanDerWaalsContact O-CG 3.22Å; A100-R104 WeakPolarHBondContact O-CG 3.29Å; A100-R104 PolarHBondContact O-N 3Å; A100-R104 VanDerWaalsContact O-N 3.14Å; A100-R104 PolarHBondContact O-NE 2.81Å; S101-R104 PolarHBondContact OG-NH2 2.93Å; R104-A107 PolarHBondContact O-N 2.88Å; R104-A108 PolarHBondContact O-N 3.17Å; R104-A108 VanDerWaalsContact O-N 3.13Å |
| 105 | H | 91.3 | Very high | 90.2 | Very high | 132 Ų | 132 | 77.8 Ų | 77.8 | 61% | 0.611 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -67.4 | -40.2 | 179.9 | -166 | 72.6 | 0 | 0 | 0 | 112.2 | S101 F102 A108 N109 | S101-H105 WeakPolarHBondContact O-CB 3.48Å; S101-H105 PolarHBondContact O-N 3.29Å; F102-H105 PolarHBondContact O-N 3.48Å; H105-A108 PolarHBondContact O-N 2.93Å; H105-N109 PolarHBondContact CD2-ND2 3.27Å; H105-N109 VanDerWaalsContact CD2-ND2 3.33Å; H105-N109 PolarHBondContact CE1-ND2 2.92Å; H105-N109 PolarHBondContact NE2-ND2 3.1Å; H105-N109 VanDerWaalsContact NE2-ND2 3.14Å; H105-N109 PolarHBondContact O-N 3.44Å; H105-N109 VanDerWaalsContact O-N 3.16Å; H105-N109 PolarHBondContact O-ND2 2.95Å |
| 106 | F | 94.3 | Very high | 89.8 | Confident | 70 Ų | 70 | 79.7 Ų | 79.7 | 31% | 0.307 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 172.7 | 172.3 | -103 | 0 | 0 | 0 | 112.1 | F79 F102 S103 A108 N109 F110 | F79-F106 HydrophobicContact CB-CD1 4.49Å; F79-F106 HydrophobicContact CB-CE1 4.11Å; F79-F106 HydrophobicContact CB-CE2 4.22Å; F79-F106 HydrophobicContact CB-CZ 3.97Å; F79-F106 HydrophobicContact CD1-CB 4.39Å; F79-F106 HydrophobicContact CD1-CD1 4.04Å; F79-F106 HydrophobicContact CD1-CE1 4.48Å; F79-F106 HydrophobicContact CD1-CG 4.07Å; F79-F106 HydrophobicContact CD2-CB 4.31Å; F79-F106 HydrophobicContact CD2-CD1 4.3Å; F79-F106 AromaticContact CD2-CD2 3.39Å; F79-F106 HydrophobicContact CD2-CD2 3.39Å; F79-F106 AromaticContact CD2-CE2 3.67Å; F79-F106 HydrophobicContact CD2-CE2 3.67Å; F79-F106 AromaticContact CD2-CG 3.74Å; F79-F106 HydrophobicContact CD2-CG 3.74Å; F79-F106 HydrophobicContact CD2-CZ 4.24Å; F79-F106 HydrophobicContact CE1-CB 3.9Å; F79-F106 HydrophobicContact CE1-CD1 4.37Å; F79-F106 HydrophobicContact CE1-CG 4.07Å; F79-F106 HydrophobicContact CE2-CB 3.8Å; F79-F106 AromaticContact CE2-CD2 3.56Å; F79-F106 HydrophobicContact CE2-CD2 3.56Å; F79-F106 HydrophobicContact CE2-CE2 4.3Å; F79-F106 AromaticContact CE2-CG 3.75Å; F79-F106 HydrophobicContact CE2-CG 3.75Å; F79-F106 HydrophobicContact CG-CD1 4.01Å; F79-F106 AromaticContact CG-CD2 3.92Å; F79-F106 HydrophobicContact CG-CD2 3.92Å; F79-F106 HydrophobicContact CG-CE1 4.12Å; F79-F106 HydrophobicContact CG-CE2 4.03Å; F79-F106 AromaticContact CG-CG 3.91Å; F79-F106 HydrophobicContact CG-CG 3.91Å; F79-F106 HydrophobicContact CG-CZ 4.13Å; F79-F106 HydrophobicContact CZ-CB 3.58Å; F79-F106 HydrophobicContact CZ-CD2 4.21Å; F79-F106 AromaticContact CZ-CG 3.91Å; F79-F106 HydrophobicContact CZ-CG 3.91Å; F102-F106 VanDerWaalsContact O-CB 3.29Å; F102-F106 WeakPolarHBondContact O-CB 3.28Å; F102-F106 PolarHBondContact O-N 3.23Å; S103-F106 PolarHBondContact O-N 3.46Å; F106-A108 VanDerWaalsContact C-N 3.34Å; F106-A108 PolarHBondContact O-N 2.92Å; F106-N109 PolarHBondContact O-N 2.85Å; F106-F110 HydrophobicContact CZ-CD2 4.44Å; F106-F110 VanDerWaalsContact O-CB 3.23Å; F106-F110 WeakPolarHBondContact O-CB 3.49Å; F106-F110 PolarHBondContact O-N 2.99Å |
| 107 | A | 93.9 | Very high | 89.7 | Confident | 52 Ų | 52 | 76.1 Ų | 76.1 | 43% | 0.43 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.4 | -37.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S103 R104 L111 | S103-A107 WeakPolarHBondContact O-CB 3.35Å; S103-A107 PolarHBondContact O-N 3.49Å; R104-A107 PolarHBondContact O-N 2.88Å; A107-L111 WeakPolarHBondContact O-CG 3.45Å; A107-L111 PolarHBondContact O-N 2.94Å |
| 108 | A | 90.9 | Very high | 89.3 | Confident | 48 Ų | 48 | 75.2 Ų | 75.2 | 40% | 0.397 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.5 | -60.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R104 H105 F106 F110 L111 D112 | R104-A108 PolarHBondContact O-N 3.17Å; R104-A108 VanDerWaalsContact O-N 3.13Å; H105-A108 PolarHBondContact O-N 2.93Å; F106-A108 VanDerWaalsContact C-N 3.34Å; F106-A108 PolarHBondContact O-N 2.92Å; A108-F110 PolarHBondContact O-N 3.41Å; A108-F110 VanDerWaalsContact O-N 3.13Å; A108-L111 PolarHBondContact O-N 3.39Å; A108-D112 PolarHBondContact O-N 2.92Å |
| 109 | N | 90.8 | Very high | 89.2 | Confident | 73 Ų | 73 | 81.9 Ų | 81.9 | 39% | 0.39 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56.8 | -33.6 | -179.7 | -76.4 | -97.2 | 0 | 0 | 0 | 112.7 | H105 F106 D112 V113 | H105-N109 PolarHBondContact CD2-ND2 3.27Å; H105-N109 VanDerWaalsContact CD2-ND2 3.33Å; H105-N109 PolarHBondContact CE1-ND2 2.92Å; H105-N109 PolarHBondContact NE2-ND2 3.1Å; H105-N109 VanDerWaalsContact NE2-ND2 3.14Å; H105-N109 PolarHBondContact O-N 3.44Å; H105-N109 VanDerWaalsContact O-N 3.16Å; H105-N109 PolarHBondContact O-ND2 2.95Å; F106-N109 PolarHBondContact O-N 2.85Å; N109-D112 PolarHBondContact O-N 3.43Å; N109-V113 WeakPolarHBondContact O-CB 3.45Å; N109-V113 WeakPolarHBondContact O-CG2 3.34Å; N109-V113 PolarHBondContact O-N 2.86Å |
| 110 | F | 93.6 | Very high | 88.9 | Confident | 96 Ų | 96 | 88 Ų | 88 | 42% | 0.421 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 176.7 | 177.8 | -91.4 | 0 | 0 | 0 | 111.9 | F106 A108 F114 | F106-F110 HydrophobicContact CZ-CD2 4.44Å; F106-F110 VanDerWaalsContact O-CB 3.23Å; F106-F110 WeakPolarHBondContact O-CB 3.49Å; F106-F110 PolarHBondContact O-N 2.99Å; A108-F110 PolarHBondContact O-N 3.41Å; A108-F110 VanDerWaalsContact O-N 3.13Å; F110-F114 HydrophobicContact CE1-CB 4.31Å; F110-F114 HydrophobicContact CE1-CG 4.46Å; F110-F114 HydrophobicContact CZ-CD2 4.35Å; F110-F114 WeakPolarHBondContact O-CB 3.21Å; F110-F114 PolarHBondContact O-N 3.23Å |
| 111 | L | 89.9 | Confident | 88.2 | Confident | 117 Ų | 117 | 90 Ų | 90 | 61% | 0.613 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -67.3 | -42.8 | 179.9 | -67.7 | 170.3 | 0 | 0 | 0 | 111.7 | A107 A108 F114 G115 | A107-L111 WeakPolarHBondContact O-CG 3.45Å; A107-L111 PolarHBondContact O-N 2.94Å; A108-L111 PolarHBondContact O-N 3.39Å; L111-F114 PolarHBondContact O-N 3.4Å; L111-G115 PolarHBondContact O-N 3.06Å; L111-G115 VanDerWaalsContact O-N 3.08Å |
| 112 | D | 83.1 | Confident | 87.3 | Confident | 113 Ų | 113 | 93.9 Ų | 93.9 | 60% | 0.604 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.2 | -52.7 | 178.1 | -59.1 | -42.6 | 0 | 0 | 0 | 110.9 | A108 N109 G115 E116 | A108-D112 PolarHBondContact O-N 2.92Å; N109-D112 PolarHBondContact O-N 3.43Å; D112-G115 PolarHBondContact O-N 2.95Å; D112-E116 WeakPolarHBondContact O-CG 3.49Å; D112-E116 PolarHBondContact O-N 2.91Å |
| 113 | V | 86.9 | Confident | 86 | Confident | 94 Ų | 94 | 97.2 Ų | 97.2 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.6 | -34.8 | -179.9 | 176.7 | 0 | 0 | 0 | 0 | 112.2 | N109 G115 E116 E117 | N109-V113 WeakPolarHBondContact O-CB 3.45Å; N109-V113 WeakPolarHBondContact O-CG2 3.34Å; N109-V113 PolarHBondContact O-N 2.86Å; V113-G115 VanDerWaalsContact C-N 3.32Å; V113-G115 PolarHBondContact O-N 2.94Å; V113-E116 WeakPolarHBondContact O-CB 3.32Å; V113-E116 PolarHBondContact O-N 2.81Å; V113-E117 WeakPolarHBondContact O-CB 3.45Å; V113-E117 PolarHBondContact O-N 2.82Å |
| 114 | F | 90.3 | Very high | 84 | Confident | 113 Ų | 113 | 98.5 Ų | 98.5 | 50% | 0.496 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 175.4 | 178.1 | -102.8 | 0 | 0 | 0 | 111.7 | F110 L111 E116 E117 V118 | F110-F114 HydrophobicContact CE1-CB 4.31Å; F110-F114 HydrophobicContact CE1-CG 4.46Å; F110-F114 HydrophobicContact CZ-CD2 4.35Å; F110-F114 WeakPolarHBondContact O-CB 3.21Å; F110-F114 PolarHBondContact O-N 3.23Å; L111-F114 PolarHBondContact O-N 3.4Å; F114-E116 VanDerWaalsContact C-N 3.29Å; F114-E116 PolarHBondContact O-N 2.98Å; F114-E117 PolarHBondContact O-N 2.85Å; F114-V118 HydrophobicContact CD1-CG2 4.22Å; F114-V118 HydrophobicContact CD2-CG2 4.17Å; F114-V118 HydrophobicContact CE1-CG2 3.82Å; F114-V118 HydrophobicContact CE2-CG2 3.76Å; F114-V118 HydrophobicContact CG-CG2 4.39Å; F114-V118 HydrophobicContact CZ-CG2 3.57Å; F114-V118 WeakPolarHBondContact O-CB 3.21Å; F114-V118 WeakPolarHBondContact O-CG2 3.42Å; F114-V118 PolarHBondContact O-N 2.84Å |
| 115 | G | 81.8 | Confident | 81.3 | Confident | 30 Ų | 30 | 93.5 Ų | 93.5 | 31% | 0.309 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -35.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | L111 D112 V113 R119 | L111-G115 PolarHBondContact O-N 3.06Å; L111-G115 VanDerWaalsContact O-N 3.08Å; D112-G115 PolarHBondContact O-N 2.95Å; V113-G115 VanDerWaalsContact C-N 3.32Å; V113-G115 PolarHBondContact O-N 2.94Å; G115-R119 WeakPolarHBondContact O-CG 3.4Å; G115-R119 PolarHBondContact O-N 3.46Å; G115-R119 PolarHBondContact O-NE 3.05Å; G115-R119 PolarHBondContact O-NH2 2.87Å |
| 116 | E | 84.7 | Confident | 79 | Confident | 113 Ų | 113 | 92.7 Ų | 92.7 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.2 | -48.2 | 173.1 | -57.6 | -97.8 | 94.6 | 0 | 0 | 111.4 | D112 V113 F114 R119 R120 | D112-E116 WeakPolarHBondContact O-CG 3.49Å; D112-E116 PolarHBondContact O-N 2.91Å; V113-E116 WeakPolarHBondContact O-CB 3.32Å; V113-E116 PolarHBondContact O-N 2.81Å; F114-E116 VanDerWaalsContact C-N 3.29Å; F114-E116 PolarHBondContact O-N 2.98Å; E116-R119 WeakPolarHBondContact O-CB 3.27Å; E116-R119 PolarHBondContact O-N 3.03Å; E116-R119 IonicContact OE1-CZ 2.72Å; E116-R119 IonicContact OE1-NH1 3.15Å; E116-R119 PolarHBondContact OE1-NH1 2.88Å; E116-R119 IonicContact OE1-NH2 3.83Å; E116-R119 PolarHBondContact OE1-NH2 3.46Å; E116-R120 PolarHBondContact O-N 2.71Å |
| 117 | E | 84.6 | Confident | 76.4 | Confident | 73 Ų | 73 | 96 Ų | 96 | 34% | 0.341 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.8 | -41.3 | -174.8 | -175.6 | 60.2 | -168.9 | 0 | 0 | 112.1 | V113 F114 R119 R120 V121 | V113-E117 WeakPolarHBondContact O-CB 3.45Å; V113-E117 PolarHBondContact O-N 2.82Å; F114-E117 PolarHBondContact O-N 2.85Å; E117-R119 VanDerWaalsContact C-N 3.33Å; E117-R119 PolarHBondContact O-N 3.11Å; E117-R120 WeakPolarHBondContact O-CB 3.44Å; E117-R120 PolarHBondContact O-N 2.7Å; E117-R120 IonicContact OE1-CZ 2.7Å; E117-R120 IonicContact OE1-NE 2.73Å; E117-R120 IonicContact OE1-NH2 3.59Å; E117-R120 PolarHBondContact OE1-NH2 2.85Å; E117-R120 IonicContact OE2-CZ 2.71Å; E117-R120 IonicContact OE2-NE 2.85Å; E117-R120 PolarHBondContact OE2-NE 2.84Å; E117-R120 IonicContact OE2-NH2 3.21Å; E117-R120 PolarHBondContact OE2-NH2 2.73Å; E117-V121 WeakPolarHBondContact O-CG2 3.44Å; E117-V121 PolarHBondContact O-N 2.75Å |
| 118 | V | 82.6 | Confident | 73.5 | Confident | 58 Ų | 58 | 99.8 Ų | 99.8 | 35% | 0.352 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.3 | -40.9 | 174.2 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | F114 V121 L122 | F114-V118 HydrophobicContact CD1-CG2 4.22Å; F114-V118 HydrophobicContact CD2-CG2 4.17Å; F114-V118 HydrophobicContact CE1-CG2 3.82Å; F114-V118 HydrophobicContact CE2-CG2 3.76Å; F114-V118 HydrophobicContact CG-CG2 4.39Å; F114-V118 HydrophobicContact CZ-CG2 3.57Å; F114-V118 WeakPolarHBondContact O-CB 3.21Å; F114-V118 WeakPolarHBondContact O-CG2 3.42Å; F114-V118 PolarHBondContact O-N 2.84Å; V118-V121 PolarHBondContact O-N 2.7Å; V118-L122 HydrophobicContact CG1-CD1 3.75Å; V118-L122 HydrophobicContact CG1-CG 4.33Å; V118-L122 WeakPolarHBondContact O-CB 3.43Å; V118-L122 VanDerWaalsContact O-CG 3.24Å; V118-L122 WeakPolarHBondContact O-CG 3.36Å; V118-L122 PolarHBondContact O-N 2.72Å |
| 119 | R | 84.5 | Confident | 70.8 | Confident | 140 Ų | 140 | 109.6 Ų | 109.6 | 53% | 0.528 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.5 | -45.1 | 172.7 | -78.4 | 177.1 | -83.5 | 129.5 | -10.4 | 111.2 | G115 E116 E117 L122 V123 | G115-R119 WeakPolarHBondContact O-CG 3.4Å; G115-R119 PolarHBondContact O-N 3.46Å; G115-R119 PolarHBondContact O-NE 3.05Å; G115-R119 PolarHBondContact O-NH2 2.87Å; E116-R119 WeakPolarHBondContact O-CB 3.27Å; E116-R119 PolarHBondContact O-N 3.03Å; E116-R119 IonicContact OE1-CZ 2.72Å; E116-R119 IonicContact OE1-NH1 3.15Å; E116-R119 PolarHBondContact OE1-NH1 2.88Å; E116-R119 IonicContact OE1-NH2 3.83Å; E116-R119 PolarHBondContact OE1-NH2 3.46Å; E117-R119 VanDerWaalsContact C-N 3.33Å; E117-R119 PolarHBondContact O-N 3.11Å; R119-L122 PolarHBondContact O-N 3.07Å; R119-V123 WeakPolarHBondContact O-CG2 3.35Å; R119-V123 PolarHBondContact O-N 3.46Å; R119-V123 VanDerWaalsContact O-N 3.09Å |
| 120 | R | 82.1 | Confident | 68 | Low | 166 Ų | 166 | 109.6 Ų | 109.6 | 63% | 0.626 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.5 | -45.1 | 179.2 | -167.3 | 172 | 74.4 | 100.6 | -0.2 | 112.4 | E116 E117 A124 | E116-R120 PolarHBondContact O-N 2.71Å; E117-R120 WeakPolarHBondContact O-CB 3.44Å; E117-R120 PolarHBondContact O-N 2.7Å; E117-R120 IonicContact OE1-CZ 2.7Å; E117-R120 IonicContact OE1-NE 2.73Å; E117-R120 IonicContact OE1-NH2 3.59Å; E117-R120 PolarHBondContact OE1-NH2 2.85Å; E117-R120 IonicContact OE2-CZ 2.71Å; E117-R120 IonicContact OE2-NE 2.85Å; E117-R120 PolarHBondContact OE2-NE 2.84Å; E117-R120 IonicContact OE2-NH2 3.21Å; E117-R120 PolarHBondContact OE2-NH2 2.73Å; R120-A124 PolarHBondContact O-N 3.42Å |
| 121 | V | 76 | Confident | 64.9 | Low | 87 Ų | 87 | 109.8 Ų | 109.8 | 53% | 0.527 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -69.6 | -40 | 179.3 | 172.1 | 0 | 0 | 0 | 0 | 112.1 | E117 V118 A124 | E117-V121 WeakPolarHBondContact O-CG2 3.44Å; E117-V121 PolarHBondContact O-N 2.75Å; V118-V121 PolarHBondContact O-N 2.7Å; V121-A124 PolarHBondContact O-N 2.95Å |
| 122 | L | 73.1 | Confident | 62.3 | Low | 132 Ų | 132 | 109.3 Ų | 109.3 | 69% | 0.691 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.5 | -37.1 | 178 | -72.1 | 171.6 | 0 | 0 | 0 | 112.7 | V118 R119 A124 G125 | V118-L122 HydrophobicContact CG1-CD1 3.75Å; V118-L122 HydrophobicContact CG1-CG 4.33Å; V118-L122 WeakPolarHBondContact O-CB 3.43Å; V118-L122 VanDerWaalsContact O-CG 3.24Å; V118-L122 WeakPolarHBondContact O-CG 3.36Å; V118-L122 PolarHBondContact O-N 2.72Å; R119-L122 PolarHBondContact O-N 3.07Å; L122-A124 PolarHBondContact O-N 2.65Å; L122-G125 PolarHBondContact O-N 3.41Å |
| 123 | V | 63.7 | Low | 59.9 | Low | 132 Ų | 132 | 110.4 Ų | 110.4 | 80% | 0.8 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.4 | -24.2 | 174.1 | 171.8 | 0 | 0 | 0 | 0 | 112 | R119 G125 | R119-V123 WeakPolarHBondContact O-CG2 3.35Å; R119-V123 PolarHBondContact O-N 3.46Å; R119-V123 VanDerWaalsContact O-N 3.09Å; V123-G125 PolarHBondContact O-N 3.31Å |
| 124 | A | 51.3 | Low | 57.5 | Low | 82 Ų | 82 | 117.3 Ų | 117.3 | 68% | 0.678 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 14.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R120 V121 L122 | R120-A124 PolarHBondContact O-N 3.42Å; V121-A124 PolarHBondContact O-N 2.95Å; L122-A124 PolarHBondContact O-N 2.65Å |
| 125 | G | 37.5 | Very low | 54.6 | Low | 42 Ų | 42 | 116.4 Ų | 116.4 | 43% | 0.433 | 67% | 0.673 | S | S | . | * | trans | -57.9 | 152.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L122 V123 | L122-G125 PolarHBondContact O-N 3.41Å; V123-G125 PolarHBondContact O-N 3.31Å | ||
| 126 | P | 44.3 | Very low | 52.2 | Low | 115 Ų | 115 | 123.1 Ų | 123.1 | 75% | 0.747 | 70% | 0.697 | S | S | * | * | trans | -71.1 | 134.3 | -167.3 | 27.9 | -35.6 | 0 | 0 | 0 | 113.7 | T128 | P126-T128 PolarHBondContact O-N 3.21Š| ||
| 127 | T | 37.7 | Very low | 49.5 | Very low | 140 Ų | 140 | 122 Ų | 122 | 86% | 0.859 | 71% | 0.707 | S | S | * | * | trans | -76.3 | 82.9 | 174.7 | 37 | 0 | 0 | 0 | 0 | 111.9 | R129 | T127-R129 PolarHBondContact O-N 3.08Š| ||
| 128 | T | 34 | Very low | 46.8 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | trans | -64.1 | 100.4 | 174.6 | 39.3 | 0 | 0 | 0 | 0 | 111.7 | P126 G130 | P126-T128 PolarHBondContact O-N 3.21Å; T128-G130 PolarHBondContact O-N 3.31Å | ||
| 129 | R | 35.3 | Very low | 44.5 | Very low | 254 Ų | 254 | 131 Ų | 131 | 96% | 0.958 | 75% | 0.747 | S | S | * | * | trans | -86.6 | 93.3 | -174.9 | -171 | -176.7 | -175 | 168.7 | 3.4 | 112.7 | T127 | T127-R129 PolarHBondContact O-N 3.08Š| ||
| 130 | G | 30.6 | Very low | 42.1 | Very low | 72 Ų | 72 | 130.4 Ų | 130.4 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | trans | 127.7 | 111.3 | 140.5 | 0 | 0 | 0 | 0 | 0 | 118 | T128 | T128-G130 PolarHBondContact O-N 3.31Š| ||
| 131 | A | 29.5 | Very low | 39.5 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | -151.9 | 124.1 | 131.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 132 | A | 35.6 | Very low | 37.9 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 88% | 0.884 | 78% | 0.775 | S | S | * | * | trans | -109.5 | 108.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 133 | V | 32.6 | Very low | 35.8 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | -126.2 | 129.9 | 166.3 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 134 | R | 36.6 | Very low | 34.1 | Very low | 240 Ų | 240 | 128.3 Ų | 128.3 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | trans | -110.8 | 118.6 | 176.3 | -171.3 | -177.9 | -170.5 | 170.8 | 2.7 | 106.3 | ||||
| 135 | A | 29.5 | Very low | 33.1 | Very low | 93 Ų | 93 | 130.3 Ų | 130.3 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -125.3 | 142.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 136 | E | 29.7 | Very low | 32.7 | Very low | 172 Ų | 172 | 133.5 Ų | 133.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -97.8 | 153.2 | 179.1 | -82 | -76.1 | 157.2 | 0 | 0 | 110.8 | ||||
| 137 | A | 27.8 | Very low | 31.9 | Very low | 90 Ų | 90 | 132.2 Ų | 132.2 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | 65.6 | 160.6 | 149 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 138 | M | 28.2 | Very low | 31.6 | Very low | 170 Ų | 170 | 133.2 Ų | 133.2 | 84% | 0.837 | 79% | 0.786 | S | S | * | * | trans | 89.1 | 102.1 | 159.9 | -139.8 | 70.1 | -170.1 | 0 | 0 | 119.7 | ||||
| 139 | E | 35.7 | Very low | 31.3 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | -7 | 150.2 | 141 | -53.2 | -64 | 95 | 0 | 0 | 118.3 | ||||
| 140 | P | 32.7 | Very low | 30.9 | Very low | 126 Ų | 126 | 129 Ų | 129 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | -140.8 | 123.4 | 111 | 35.7 | -22.8 | 0 | 0 | 0 | 116.3 | |||||
| 141 | E | 28.4 | Very low | 30.8 | Very low | 147 Ų | 147 | 130.1 Ų | 130.1 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | trans | -74.7 | 157.2 | 142.2 | -93.6 | -71.1 | 132.2 | 0 | 0 | 108.7 | A143 | E141-A143 PolarHBondContact OE2-N 3.47Š| ||
| 142 | P | 41.3 | Very low | 31.7 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | -149.2 | 147.7 | 54.5 | 39.5 | -18.7 | 0 | 0 | 0 | 120 | |||||
| 143 | A | 29.7 | Very low | 31.3 | Very low | 74 Ų | 74 | 137.2 Ų | 137.2 | 61% | 0.612 | 78% | 0.783 | S | S | * | * | trans | 64 | 163.3 | 136.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | E141 | E141-A143 PolarHBondContact OE2-N 3.47Š| ||
| 144 | D | 28.4 | Very low | 31.1 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | cis | -154.8 | 155.1 | 11.5 | -149.7 | -17.1 | 0 | 0 | 0 | 113.5 | ||||
| 145 | T | 29.3 | Very low | 30.7 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | trans | 61.2 | 147.4 | 165.8 | 66.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 146 | S | 30.1 | Very low | 30.7 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | cis | -154.7 | 150 | -4.6 | 49 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 147 | A | 27.8 | Very low | 30.9 | Very low | 87 Ų | 87 | 133 Ų | 133 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | trans | 33.5 | 134.5 | 151.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 148 | L | 31.3 | Very low | 31 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | -162.2 | 120.2 | 63 | -86.7 | 166 | 0 | 0 | 0 | 115 | |||||
| 149 | K | 27.8 | Very low | 31.4 | Very low | 199 Ų | 199 | 128.8 Ų | 128.8 | 87% | 0.865 | 75% | 0.746 | S | S | * | * | trans | 49.3 | 129.7 | 131 | -148.5 | 178.6 | -176.4 | 178.1 | 0 | 122.8 | ||||
| 150 | A | 27.1 | Very low | 31.2 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | trans | 96.2 | 115.8 | 148.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 151 | A | 27.4 | Very low | 31.3 | Very low | 96 Ų | 96 | 129.5 Ų | 129.5 | 79% | 0.793 | 74% | 0.743 | S | S | * | * | trans | -131.8 | -174.3 | 148.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 152 | P | 48.8 | Very low | 31.5 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | cis | -133.2 | 179.9 | -4.7 | 43.4 | -27.7 | 0 | 0 | 0 | 114.4 | ||||
| 153 | Y | 28.1 | Very low | 31 | Very low | 242 Ų | 242 | 127.6 Ų | 127.6 | 95% | 0.949 | 74% | 0.742 | S | S | * | * | trans | 166.5 | 142.1 | 152.4 | -102.2 | -72 | 0 | 0 | 0 | 107.6 | ||||
| 154 | G | 27.6 | Very low | 31.2 | Very low | 63 Ų | 63 | 129.9 Ų | 129.9 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | cis | -138.4 | 172.3 | -19.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 155 | H | 29.3 | Very low | 31.3 | Very low | 190 Ų | 190 | 131.8 Ų | 131.8 | 88% | 0.88 | 75% | 0.753 | S | S | * | * | 45.3 | 128.3 | 61.6 | -92.8 | 67.2 | 0 | 0 | 0 | 114.3 | |||||
| 156 | S | 29.3 | Very low | 31.3 | Very low | 79 Ų | 79 | 129.8 Ų | 129.8 | 55% | 0.552 | 75% | 0.749 | S | S | * | * | cis | -174.2 | 154.4 | -7.3 | -144.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 157 | R | 33 | Very low | 31.3 | Very low | 221 Ų | 221 | 128.5 Ų | 128.5 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | trans | 62.6 | 166.2 | 147.6 | -76.9 | 176.9 | 169.3 | -92.5 | -1.5 | 119.3 | ||||
| 158 | S | 30.8 | Very low | 31.4 | Very low | 80 Ų | 80 | 131.4 Ų | 131.4 | 56% | 0.559 | 75% | 0.754 | S | S | * | * | cis | -174.2 | -173.6 | -25.6 | -167 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 159 | S | 35.6 | Very low | 31.5 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | trans | 84.8 | 151.3 | 148.2 | -51.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 160 | E | 31.7 | Very low | 31.6 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | cis | 179.7 | 160.2 | -25.5 | -103 | 139 | 61.6 | 0 | 0 | 106.4 | ||||
| 161 | D | 34.9 | Very low | 31.8 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | cis | -166.2 | -122.8 | -18.4 | -179.2 | -103 | 0 | 0 | 0 | 106.8 | S163 | D161-S163 PolarHBondContact OD1-OG 3.31Š| ||
| 162 | V | 31.4 | Very low | 31.9 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | 71.2 | 88.2 | 172.6 | -169.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 163 | S | 32.6 | Very low | 31.2 | Very low | 94 Ų | 94 | 144.6 Ų | 144.6 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | 74.4 | 135.3 | 65.4 | -73.1 | 0 | 0 | 0 | 0 | 114.7 | D161 | D161-S163 PolarHBondContact OD1-OG 3.31Š| |||
| 164 | T | 32.6 | Very low | 31.4 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | cis | -131.8 | -170.7 | 4 | 57.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 165 | H | 32.1 | Very low | 31.6 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | cis | -156.5 | -167.8 | 5.8 | -146.8 | 31.6 | 0 | 0 | 0 | 107.5 | ||||
| 166 | A | 27.9 | Very low | 31.6 | Very low | 81 Ų | 81 | 144.9 Ų | 144.9 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | cis | -148.5 | -121.2 | 4.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 167 | A | 29.6 | Very low | 31.7 | Very low | 84 Ų | 84 | 145.9 Ų | 145.9 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | trans | -149.5 | 158.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 168 | T | 31.3 | Very low | 31.8 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | -138.3 | 171.7 | 73.3 | 47.3 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 169 | K | 33.5 | Very low | 32.3 | Very low | 206 Ų | 206 | 151 Ų | 151 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | trans | -113.1 | 141.9 | -169.2 | -59.1 | 169.8 | -178.7 | 170.8 | 0 | 112.7 | ||||
| 170 | A | 28.6 | Very low | 31.9 | Very low | 103 Ų | 103 | 153.8 Ų | 153.8 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | -155.5 | 135.7 | 148 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 171 | R | 32.8 | Very low | 31.7 | Very low | 250 Ų | 250 | 153.4 Ų | 153.4 | 94% | 0.943 | 81% | 0.813 | S | S | * | * | trans | -127.3 | 117.4 | 167.1 | -82.3 | -177.9 | 172.1 | 178 | -2.8 | 108.4 | ||||
| 172 | V | 28.7 | Very low | 31.4 | Very low | 145 Ų | 145 | 150.9 Ų | 150.9 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -138.8 | 138 | 164.1 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 173 | R | 33.3 | Very low | 31.4 | Very low | 242 Ų | 242 | 152.7 Ų | 152.7 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | trans | -45 | 136.2 | 177 | -59.9 | 158.1 | 173.9 | 164.1 | -4.4 | 113.9 | ||||
| 174 | K | 32.9 | Very low | 31.1 | Very low | 216 Ų | 216 | 153.8 Ų | 153.8 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | trans | -87.7 | 108.2 | 164 | -167.1 | 169.3 | -175.2 | 174.9 | 0 | 109.4 | ||||
| 175 | G | 31.2 | Very low | 31.1 | Very low | 63 Ų | 63 | 154.3 Ų | 154.3 | 65% | 0.649 | 82% | 0.819 | S | S | * | * | trans | -84.1 | 162.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 176 | F | 29.4 | Very low | 31.1 | Very low | 222 Ų | 222 | 152.3 Ų | 152.3 | 97% | 0.974 | 82% | 0.819 | S | S | * | * | trans | -63 | 140.9 | 169.4 | -76.1 | -104.6 | 0 | 0 | 0 | 110.9 | ||||
| 177 | S | 32.2 | Very low | 31.3 | Very low | 100 Ų | 100 | 156.2 Ų | 156.2 | 70% | 0.699 | 83% | 0.828 | S | S | * | * | trans | -148 | 102.1 | 167.2 | -173.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 178 | L | 35.1 | Very low | 31.2 | Very low | 174 Ų | 174 | 155.7 Ų | 155.7 | 91% | 0.911 | 83% | 0.83 | S | S | * | * | trans | -80.3 | 112 | 168.1 | -74.3 | 168.5 | 0 | 0 | 0 | 108.8 | ||||
| 179 | R | 41.3 | Very low | 31.3 | Very low | 234 Ų | 234 | 155.5 Ų | 155.5 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | trans | -136.6 | 103.9 | 161.3 | -71.1 | -166.7 | 177.9 | -177.4 | -0.5 | 109.8 | ||||
| 180 | N | 27.1 | Very low | 31.4 | Very low | 151 Ų | 151 | 155.2 Ų | 155.2 | 81% | 0.807 | 82% | 0.822 | S | S | * | * | trans | -93.5 | 160.1 | 168.5 | -167.3 | 8.3 | 0 | 0 | 0 | 109.5 | ||||
| 181 | M | 28.3 | Very low | 31.5 | Very low | 151 Ų | 151 | 157.4 Ų | 157.4 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | trans | 75.9 | 105 | 165 | -55 | -153.3 | 73.9 | 0 | 0 | 119.6 | ||||
| 182 | S | 28.8 | Very low | 31.5 | Very low | 78 Ų | 78 | 152.2 Ų | 152.2 | 55% | 0.545 | 81% | 0.808 | S | S | . | * | 61 | 115.8 | 113.6 | 175.3 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 183 | L | 29.5 | Very low | 31.6 | Very low | 167 Ų | 167 | 154.6 Ų | 154.6 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -135.8 | 129.8 | 136.8 | -81.1 | -178.6 | 0 | 0 | 0 | 111.3 | ||||
| 184 | C | 27.2 | Very low | 31.4 | Very low | 117 Ų | 117 | 152.8 Ų | 152.8 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -134.5 | 109.6 | 158.6 | -54 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 185 | V | 32.7 | Very low | 31.2 | Very low | 134 Ų | 134 | 152.6 Ų | 152.6 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -145.2 | 142.4 | 164.8 | -178.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 186 | V | 32.1 | Very low | 30.9 | Very low | 134 Ų | 134 | 161.1 Ų | 161.1 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -104.2 | 150.2 | 172.6 | 171.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 187 | D | 31.3 | Very low | 30.7 | Very low | 163 Ų | 163 | 155.7 Ų | 155.7 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -46.4 | 149.2 | -172.3 | -76.9 | -82.2 | 0 | 0 | 0 | 117.5 | ||||
| 188 | G | 28.5 | Very low | 30.4 | Very low | 72 Ų | 72 | 156.6 Ų | 156.6 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | -138.2 | 87.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 189 | V | 32.2 | Very low | 30.6 | Very low | 143 Ų | 143 | 154.2 Ų | 154.2 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | 34.2 | 117 | 159.3 | -176.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 190 | R | 36.2 | Very low | 30.1 | Very low | 201 Ų | 201 | 150.6 Ų | 150.6 | 76% | 0.758 | 79% | 0.792 | S | S | * | * | trans | -43.5 | 130.6 | 160.3 | 170.2 | -168.9 | 77.4 | -159.3 | 1.6 | 114.2 | ||||
| 191 | D | 31.3 | Very low | 30.8 | Very low | 149 Ų | 149 | 149.5 Ų | 149.5 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | -153.5 | 167.8 | 121.2 | -115.3 | -36.3 | 0 | 0 | 0 | 115.5 | |||||
| 192 | M | 32.4 | Very low | 30.8 | Very low | 140 Ų | 140 | 149.2 Ų | 149.2 | 69% | 0.69 | 80% | 0.795 | S | S | * | * | trans | -120.5 | 139.9 | -151.7 | -108.5 | 171.4 | 55.5 | 0 | 0 | 115.1 | ||||
| 193 | W | 31.1 | Very low | 31 | Very low | 195 Ų | 195 | 150 Ų | 150 | 74% | 0.739 | 81% | 0.807 | S | S | * | * | trans | 32.3 | 123.7 | 162.5 | -50.9 | 94.3 | 0 | 0 | 0 | 119.9 | ||||
| 194 | H | 28.8 | Very low | 31 | Very low | 204 Ų | 204 | 146 Ų | 146 | 94% | 0.944 | 81% | 0.805 | S | S | * | * | -149.3 | 144.2 | 125 | -101.3 | -71.2 | 0 | 0 | 0 | 111.4 | |||||
| 195 | R | 27.9 | Very low | 31.2 | Very low | 212 Ų | 212 | 145.7 Ų | 145.7 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | trans | -135.8 | 109.2 | -175.5 | 179.6 | -129.3 | -65.2 | -110.7 | 4.4 | 110.7 | ||||
| 196 | R | 26.4 | Very low | 31.1 | Very low | 242 Ų | 242 | 144.6 Ų | 144.6 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | trans | 177.7 | 149.9 | 141.8 | -179.1 | 163.8 | -78.4 | -114.7 | 3.9 | 110.7 | ||||
| 197 | S | 23.9 | Very low | 31.5 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -102.2 | 156.8 | -179.7 | 50.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 198 | S | 25.8 | Very low | 31.3 | Very low | 120 Ų | 120 | 147 Ų | 147 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | -165.3 | 167.8 | 162.1 | -113.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 199 | P | 40.2 | Very low | 31.3 | Very low | 123 Ų | 123 | 148.3 Ų | 148.3 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | cis | -127.7 | -172.7 | 13.7 | 42.8 | -27 | 0 | 0 | 0 | 116.1 | ||||
| 200 | E | 30.8 | Very low | 31.3 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | trans | -70.9 | 176.2 | 174 | -128.9 | -177.6 | 100.4 | 0 | 0 | 113.6 | ||||
| 201 | P | 40.8 | Very low | 30.9 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | -144.5 | -172.7 | 63.9 | 39.9 | -18.6 | 0 | 0 | 0 | 117.6 | |||||
| 202 | D | 30 | Very low | 31.5 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | -98.2 | -174.5 | -156.7 | -170 | 20.6 | 0 | 0 | 0 | 116.1 | ||||
| 203 | A | 32.4 | Very low | 31 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | 93.4 | 136.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 204 | G | 29.6 | Very low | 30.8 | Very low | 82 Ų | 82 | 136.7 Ų | 136.7 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | trans | -158.5 | 131.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 205 | A | 31.7 | Very low | 31.1 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -155.6 | 155 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 206 | S | 30.2 | Very low | 31.1 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -113.4 | -174 | -169.5 | 79.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 207 | P | 40.1 | Very low | 31.4 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 69% | 0.688 | 80% | 0.801 | S | S | * | * | cis | -137 | 157.3 | -12.6 | 36 | -19.6 | 0 | 0 | 0 | 115.3 | ||||
| 208 | R | 27.9 | Very low | 31.5 | Very low | 242 Ų | 242 | 131.6 Ų | 131.6 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | 159.4 | 139.5 | 129.5 | -94.2 | 177.9 | 166.2 | -169.1 | -4 | 114.1 | |||||
| 209 | A | 28.6 | Very low | 31.6 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | 59.8 | 141.5 | 148.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 210 | A | 31.9 | Very low | 30.9 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | 70.4 | 117.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 211 | E | 26.2 | Very low | 31.4 | Very low | 174 Ų | 174 | 135 Ų | 135 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | 18.7 | 151.1 | 137.6 | -55.1 | -57.6 | 106.3 | 0 | 0 | 121.2 | ||||
| 212 | P | 44 | Very low | 30.8 | Very low | 108 Ų | 108 | 140 Ų | 140 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | cis | -141.1 | 171.9 | -34.6 | 39.2 | -23.6 | 0 | 0 | 0 | 113.2 | ||||
| 213 | S | 22.9 | Very low | 31.5 | Very low | 120 Ų | 120 | 144.3 Ų | 144.3 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -172.5 | 154.1 | 147.2 | 44.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 214 | A | 27.2 | Very low | 31.1 | Very low | 86 Ų | 86 | 147.1 Ų | 147.1 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | 49 | 96.5 | 151.3 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 215 | E | 34.5 | Very low | 31.8 | Very low | 183 Ų | 183 | 154.8 Ų | 154.8 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | 62.4 | 155.6 | 113.4 | -70.7 | -131.4 | 119.6 | 0 | 0 | 121.3 | |||||
| 216 | P | 27.1 | Very low | 31.6 | Very low | 111 Ų | 111 | 157 Ų | 157 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | cis | -134.2 | 173.5 | 19 | 43.5 | -28 | 0 | 0 | 0 | 117.6 | ||||
| 217 | R | 33.5 | Very low | 31.6 | Very low | 236 Ų | 236 | 156.6 Ų | 156.6 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | trans | 70.2 | 57.8 | 148.5 | -157.1 | 178.7 | -176.1 | 149.6 | 1.5 | 117.3 | ||||
| 218 | D | 25.9 | Very low | 31.1 | Very low | 128 Ų | 128 | 162.2 Ų | 162.2 | 68% | 0.684 | 80% | 0.8 | S | S | * | * | trans | -119.4 | 153.1 | 162.3 | -94.9 | -22.8 | 0 | 0 | 0 | 108.5 | ||||
| 219 | K | 28.1 | Very low | 31.1 | Very low | 125 Ų | 125 | 156.3 Ų | 156.3 | 54% | 0.543 | 79% | 0.791 | S | S | . | * | cis | -155.9 | 165 | -5.4 | -145.9 | 162.5 | -79.2 | 175.1 | 0 | 109.1 | ||||
| 220 | W | 26.7 | Very low | 31.3 | Very low | 214 Ų | 214 | 158.5 Ų | 158.5 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | 48.6 | 121.8 | 157 | -60.5 | -43 | 0 | 0 | 0 | 122.4 | R222 | W220-R222 PolarHBondContact O-N 3.49Å; W220-R222 VanDerWaalsContact O-N 3.15Å | ||
| 221 | T | 40.6 | Very low | 31.4 | Very low | 135 Ų | 135 | 158.4 Ų | 158.4 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | -23.2 | 107 | 126.8 | 50.6 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 222 | R | 28.8 | Very low | 31.9 | Very low | 234 Ų | 234 | 153.4 Ų | 153.4 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -141.6 | 140 | 146.2 | -168.4 | 163.5 | -71.3 | -133.7 | 1.9 | 110.6 | W220 L224 | W220-R222 PolarHBondContact O-N 3.49Å; W220-R222 VanDerWaalsContact O-N 3.15Å; R222-L224 PolarHBondContact O-N 2.91Å | ||
| 223 | R | 42.8 | Very low | 31.6 | Very low | 234 Ų | 234 | 156 Ų | 156 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -71.5 | 117.8 | -178.6 | -52.6 | 170.1 | -152.8 | -97.3 | -1 | 108.9 | ||||
| 224 | L | 25.8 | Very low | 32.7 | Very low | 154 Ų | 154 | 153.8 Ų | 153.8 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | trans | -100 | 108.9 | 152.5 | -73 | 177.1 | 0 | 0 | 0 | 108 | R222 L226 | R222-L224 PolarHBondContact O-N 2.91Å; L224-L226 PolarHBondContact O-N 2.85Å | ||
| 225 | R | 43.6 | Very low | 33.5 | Very low | 243 Ų | 243 | 154.1 Ų | 154.1 | 92% | 0.917 | 74% | 0.744 | S | S | * | * | trans | -70.6 | 88.8 | 160 | -78.2 | 177.1 | 169.8 | 157.9 | -6.3 | 106.7 | S227 | R225-S227 PolarHBondContact O-N 3.43Š| ||
| 226 | L | 28.4 | Very low | 34.3 | Very low | 158 Ų | 158 | 152.9 Ų | 152.9 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | trans | -74.4 | 110.9 | 161.2 | -74.8 | 174.2 | 0 | 0 | 0 | 107.2 | L224 R228 | L224-L226 PolarHBondContact O-N 2.85Å; L226-R228 PolarHBondContact O-N 2.89Å | ||
| 227 | S | 28.4 | Very low | 35.5 | Very low | 102 Ų | 102 | 152.9 Ų | 152.9 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | trans | -53.9 | 123 | 179.5 | -56.6 | 0 | 0 | 0 | 0 | 109.6 | R225 T229 | R225-S227 PolarHBondContact O-N 3.43Å; S227-T229 PolarHBondContact O-N 2.9Å | ||
| 228 | R | 29.5 | Very low | 37.6 | Very low | 225 Ų | 225 | 143 Ų | 143 | 85% | 0.849 | 71% | 0.705 | S | S | * | * | trans | -71.2 | 81.3 | 161.5 | -168.3 | -174.1 | 79.8 | -166.3 | 6.4 | 107.2 | L226 L230 | L226-R228 PolarHBondContact O-N 2.89Å; R228-L230 PolarHBondContact O-N 2.92Å | ||
| 229 | T | 29.4 | Very low | 40.3 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 72% | 0.724 | 69% | 0.685 | S | S | * | * | trans | -46.2 | 135.2 | 162.6 | 35.6 | 0 | 0 | 0 | 0 | 107.6 | S227 A231 | S227-T229 PolarHBondContact O-N 2.9Å; T229-A231 VanDerWaalsContact C-N 3.31Å; T229-A231 PolarHBondContact O-N 2.65Å | ||
| 230 | L | 32.7 | Very low | 43 | Very low | 144 Ų | 144 | 139 Ų | 139 | 75% | 0.754 | 69% | 0.685 | S | S | * | * | trans | -66.3 | 101.8 | 170.4 | -83.3 | 72.4 | 0 | 0 | 0 | 106.3 | R228 A232 | R228-L230 PolarHBondContact O-N 2.92Å; L230-A232 VanDerWaalsContact C-N 3.26Å; L230-A232 PolarHBondContact O-N 2.87Å | ||
| 231 | A | 33.8 | Very low | 46.2 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 79% | 0.785 | 65% | 0.653 | S | S | * | * | trans | -51.5 | 109.7 | 137.7 | 0 | 0 | 0 | 0 | 0 | 104.5 | T229 K233 | T229-A231 VanDerWaalsContact C-N 3.31Å; T229-A231 PolarHBondContact O-N 2.65Å; A231-K233 PolarHBondContact O-N 2.83Å | ||
| 232 | A | 37.3 | Very low | 48.7 | Very low | 68 Ų | 68 | 128.3 Ų | 128.3 | 56% | 0.562 | 63% | 0.633 | S | S | * | * | trans | -52.7 | 136.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | L230 V234 | L230-A232 VanDerWaalsContact C-N 3.26Å; L230-A232 PolarHBondContact O-N 2.87Å; A232-V234 PolarHBondContact O-N 2.98Å | ||
| 233 | K | 37.3 | Very low | 51.8 | Low | 164 Ų | 164 | 118.1 Ų | 118.1 | 71% | 0.713 | 60% | 0.601 | S | S | * | * | trans | -69.7 | 80.6 | 170 | 174.2 | 175 | 164.8 | -82.9 | 0 | 106 | A231 E235 | A231-K233 PolarHBondContact O-N 2.83Å; K233-E235 IonicContact NZ-OE1 2.55Å; K233-E235 PolarHBondContact NZ-OE1 3.42Å; K233-E235 PolarHBondContact O-N 3.45Å | ||
| 234 | V | 45.9 | Very low | 54.2 | Low | 73 Ų | 73 | 110.5 Ų | 110.5 | 44% | 0.442 | 59% | 0.588 | S | S | . | * | trans | -56 | 106.8 | 176.2 | 177.4 | 0 | 0 | 0 | 0 | 105.8 | A232 I239 | A232-V234 PolarHBondContact O-N 2.98Å; V234-I239 HydrophobicContact CG1-CG1 4.37Å | ||
| 235 | E | 43.3 | Very low | 57.6 | Low | 93 Ų | 93 | 103.8 Ų | 103.8 | 44% | 0.435 | 55% | 0.553 | S | S | . | * | trans | -73.6 | 146.3 | -177.9 | -157.7 | 113 | -96.8 | 0 | 0 | 107.1 | K233 V237 D238 | K233-E235 IonicContact NZ-OE1 2.55Å; K233-E235 PolarHBondContact NZ-OE1 3.42Å; K233-E235 PolarHBondContact O-N 3.45Å; E235-V237 HydrophobicContact CB-CB 4.46Å; E235-V237 HydrophobicContact CG-CB 4.27Å; E235-V237 HydrophobicContact CG-CG2 3.98Å; E235-V237 PolarHBondContact O-N 3.31Å; E235-D238 PolarHBondContact O-N 2.9Å | ||
| 236 | L | 52.5 | Low | 60 | Low | 156 Ų | 156 | 96.1 Ų | 96.1 | 82% | 0.817 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -59.4 | -18.3 | 179.2 | -122.9 | 78.6 | 0 | 0 | 0 | 112.6 | D238 | L236-D238 VanDerWaalsContact C-N 3.29Å; L236-D238 PolarHBondContact O-N 2.84Å |
| 237 | V | 52 | Low | 63.2 | Low | 112 Ų | 112 | 88.7 Ų | 88.7 | 68% | 0.679 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -69.5 | -18.7 | 176.1 | -173.6 | 0 | 0 | 0 | 0 | 113.2 | E235 | E235-V237 HydrophobicContact CB-CB 4.46Å; E235-V237 HydrophobicContact CG-CB 4.27Å; E235-V237 HydrophobicContact CG-CG2 3.98Å; E235-V237 PolarHBondContact O-N 3.31Å |
| 238 | D | 76.1 | Confident | 66.2 | Low | 29 Ų | 29 | 84.5 Ų | 84.5 | 16% | 0.155 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | -91.8 | -6.4 | 179.1 | -69.7 | -46 | 0 | 0 | 0 | 113.8 | E235 L236 R271 R272 | E235-D238 PolarHBondContact O-N 2.9Å; L236-D238 VanDerWaalsContact C-N 3.29Å; L236-D238 PolarHBondContact O-N 2.84Å; D238-R271 CarbonylContact O-C 3.6Å; D238-R271 VanDerWaalsContact O-CA 3.28Å; D238-R271 WeakPolarHBondContact O-CA 3.44Å; D238-R271 WeakPolarHBondContact O-CB 3.43Å; D238-R272 HydrophobicContact CB-CB 4.23Å; D238-R272 PolarHBondContact O-N 3.48Å; D238-R272 IonicContact OD1-CZ 3.2Å; D238-R272 IonicContact OD1-NE 2.84Å; D238-R272 PolarHBondContact OD1-NE 3.46Å; D238-R272 IonicContact OD1-NH2 2.72Å; D238-R272 PolarHBondContact OD1-NH2 2.95Å |
| 239 | I | 83.4 | Confident | 69.2 | Low | 52 Ų | 52 | 76.5 Ų | 76.5 | 27% | 0.267 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 114.3 | -178.1 | -60.2 | 175.7 | 0 | 0 | 0 | 109.4 | V234 L269 | V234-I239 HydrophobicContact CG1-CG1 4.37Å; I239-L269 HydrophobicContact CB-CD1 4.46Å; I239-L269 HydrophobicContact CD1-CD1 4.21Å; I239-L269 HydrophobicContact CG1-CD1 4.15Å; I239-L269 HydrophobicContact CG2-CD1 3.58Å |
| 240 | Q | 85.4 | Confident | 71.7 | Confident | 115 Ų | 115 | 72.7 Ų | 72.7 | 54% | 0.537 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -43.8 | 173.1 | -65.1 | -73 | 31.8 | 0 | 0 | 110.9 | L270 F279 | Q240-L270 HydrophobicContact CB-CD2 4.1Å; Q240-L270 HydrophobicContact CB-CG 4.07Å; Q240-L270 PolarHBondContact N-O 2.82Å; Q240-F279 HydrophobicContact CG-CD1 4.23Å; Q240-F279 HydrophobicContact CG-CE1 3.66Å |
| 241 | R | 93.3 | Very high | 73.7 | Confident | 38 Ų | 38 | 72 Ų | 72 | 14% | 0.143 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 139.1 | -177.1 | -144.4 | -172.7 | -163.1 | -72.9 | 3 | 112.6 | L270 S341 W342 D345 | R241-L270 HydrophobicContact CB-CB 4.16Å; R241-L270 PolarHBondContact N-O 2.81Å; R241-L270 VanDerWaalsContact N-O 3.08Å; R241-L270 PolarHBondContact O-N 2.92Å; R241-S341 PolarHBondContact NH2-OG 3.42Å; R241-W342 HydrophobicContact CB-CH2 4.03Å; R241-W342 HydrophobicContact CB-CZ3 3.97Å; R241-W342 HydrophobicContact CG-CH2 4.04Å; R241-W342 HydrophobicContact CG-CZ2 4.3Å; R241-W342 HydrophobicContact CG-CZ3 4.17Å; R241-W342 VanDerWaalsContact NH1-CE2 3.26Å; R241-W342 VanDerWaalsContact NH1-NE1 3.2Å; R241-D345 VanDerWaalsContact CD-OD2 3.28Å; R241-D345 WeakPolarHBondContact CD-OD2 3.12Å; R241-D345 IonicContact CZ-OD2 2.75Å; R241-D345 IonicContact NE-OD2 2.8Å; R241-D345 PolarHBondContact NE-OD2 3.19Å; R241-D345 IonicContact NH2-OD2 2.93Å |
| 242 | E | 94 | Very high | 74.7 | Confident | 88 Ų | 88 | 75.6 Ų | 75.6 | 41% | 0.411 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 147.5 | 167.9 | -163.8 | -178.8 | 127.8 | 0 | 0 | 110 | R267 L268 L269 | E242-R267 HydrophobicContact CG-CG 4.09Å; E242-R267 WeakPolarHBondContact OE1-CD 3.35Å; E242-R267 IonicContact OE1-CZ 3.53Å; E242-R267 IonicContact OE1-NE 3.16Å; E242-R267 IonicContact OE1-NH1 3.65Å; E242-R267 PolarHBondContact OE1-NH1 2.8Å; E242-R267 IonicContact OE2-NH1 3.61Å; E242-R267 PolarHBondContact OE2-NH1 2.88Å; E242-R267 VanDerWaalsContact OE2-NH1 3.16Å; E242-L268 CarbonylContact C-O 3.52Å; E242-L268 WeakPolarHBondContact CA-O 3.25Å; E242-L269 HydrophobicContact CB-CD1 3.97Å; E242-L269 HydrophobicContact CG-CD1 3.99Å |
| 243 | G | 92.3 | Very high | 75.2 | Confident | 20 Ų | 20 | 76 Ų | 76 | 21% | 0.206 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.6 | 157.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R267 L268 | G243-R267 CarbonylContact O-C 3.54Å; G243-R267 WeakPolarHBondContact O-CA 3.42Å; G243-L268 PolarHBondContact N-O 2.94Å; G243-L268 PolarHBondContact O-N 3.49Å |
| 244 | A | 94.4 | Very high | 75.2 | Confident | 73 Ų | 73 | 72.5 Ų | 72.5 | 60% | 0.603 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 129.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | C266 | A244-C266 WeakPolarHBondContact CA-O 3.41Å |
| 245 | L | 95.9 | Very high | 75.2 | Confident | 14 Ų | 14 | 74.7 Ų | 74.7 | 7% | 0.073 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 173.7 | -175.8 | -64.9 | -179.6 | 0 | 0 | 0 | 110.8 | C266 L268 L331 T333 W342 | L245-C266 PolarHBondContact N-O 2.75Å; L245-C266 PolarHBondContact O-N 3.06Å; L245-L268 HydrophobicContact CD1-CB 3.83Å; L245-L268 HydrophobicContact CD1-CD2 3.53Å; L245-L268 HydrophobicContact CD1-CG 4.33Å; L245-L268 HydrophobicContact CG-CB 4.48Å; L245-L331 HydrophobicContact CD1-CD2 4.03Å; L245-T333 HydrophobicContact CD2-CG2 3.75Å; L245-W342 HydrophobicContact CD1-CD2 4.36Å; L245-W342 HydrophobicContact CD1-CZ2 4.19Å |
| 246 | R | 94.6 | Very high | 75 | Confident | 81 Ų | 81 | 73.1 Ų | 73.1 | 31% | 0.306 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 148 | 159.2 | -70 | 173.3 | 72.3 | -135 | 16.4 | 108.7 | W263 Q264 K265 L331 E332 | R246-W263 HydrophobicContact CB-CE3 3.88Å; R246-W263 HydrophobicContact CB-CZ3 4.49Å; R246-W263 VanDerWaalsContact CZ-CB 3.46Å; R246-Q264 CarbonylContact C-O 3.57Å; R246-Q264 VanDerWaalsContact CA-O 3.32Å; R246-Q264 WeakPolarHBondContact CA-O 3.44Å; R246-K265 HydrophobicContact CG-CG 3.91Å; R246-L331 WeakPolarHBondContact O-CA 3.42Å; R246-E332 HydrophobicContact CB-CB 4.23Å; R246-E332 WeakPolarHBondContact CB-OE2 3.24Å; R246-E332 VanDerWaalsContact CD-OE2 3.25Å; R246-E332 WeakPolarHBondContact CD-OE2 3.38Å; R246-E332 IonicContact CZ-OE2 3.87Å; R246-E332 PolarHBondContact N-O 2.79Å; R246-E332 VanDerWaalsContact N-O 3.14Å; R246-E332 IonicContact NE-OE2 2.74Å; R246-E332 IonicContact NH1-OE1 3.9Å; R246-E332 PolarHBondContact NH1-OE1 3.09Å; R246-E332 IonicContact NH1-OE2 3.23Å; R246-E332 PolarHBondContact NH1-OE2 2.92Å; R246-E332 PolarHBondContact O-N 3.18Å |
| 247 | F | 94.9 | Very high | 74.8 | Confident | 3 Ų | 3 | 72 Ų | 72 | 1% | 0.013 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 159.9 | 173 | 83.9 | -69.9 | 0 | 0 | 0 | 111.1 | V249 W263 Q264 C266 F283 V285 Y329 I330 L331 | F247-V249 HydrophobicContact CE2-CG2 4.36Å; F247-W263 CarbonylContact O-C 3.53Å; F247-W263 WeakPolarHBondContact O-CA 3.35Å; F247-Q264 HydrophobicContact CD1-CB 4.01Å; F247-Q264 WeakPolarHBondContact CD1-O 3.43Å; F247-Q264 HydrophobicContact CE1-CB 3.52Å; F247-Q264 HydrophobicContact CZ-CB 4.13Å; F247-Q264 PolarHBondContact N-O 3.06Å; F247-Q264 PolarHBondContact O-N 3.09Å; F247-C266 HydrophobicContact CD1-CB 3.72Å; F247-C266 HydrophobicContact CE1-CB 3.9Å; F247-F283 HydrophobicContact CB-CE1 4.28Å; F247-F283 HydrophobicContact CD1-CD1 4.16Å; F247-F283 HydrophobicContact CD2-CD1 4.02Å; F247-F283 AromaticContact CD2-CE1 3.97Å; F247-F283 HydrophobicContact CD2-CE1 3.97Å; F247-F283 HydrophobicContact CE1-CD1 4.37Å; F247-F283 HydrophobicContact CE2-CD1 4.22Å; F247-F283 AromaticContact CG-CD1 3.99Å; F247-F283 HydrophobicContact CG-CD1 3.99Å; F247-F283 HydrophobicContact CG-CE1 4.03Å; F247-F283 HydrophobicContact CZ-CD1 4.39Å; F247-V285 HydrophobicContact CE1-CG2 3.54Å; F247-V285 HydrophobicContact CZ-CG2 3.95Å; F247-Y329 HydrophobicContact CD2-CD1 4.04Å; F247-Y329 HydrophobicContact CE2-CD1 4.18Å; F247-Y329 HydrophobicContact CE2-CE1 4.48Å; F247-I330 CarbonylContact C-O 3.59Å; F247-I330 WeakPolarHBondContact CA-O 3.28Å; F247-L331 HydrophobicContact CB-CG 3.94Å |
| 248 | M | 92.9 | Very high | 74.5 | Confident | 14 Ų | 14 | 70.2 Ų | 70.2 | 7% | 0.069 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 161.4 | 165.6 | 53.1 | 173.6 | 37 | 0 | 0 | 108.9 | A261 W263 Y329 I330 | M248-A261 HydrophobicContact CE-CB 3.59Å; M248-A261 WeakPolarHBondContact CE-O 3.42Å; M248-A261 HydrophobicContact SD-CB 3.99Å; M248-W263 HydrophobicContact CB-CE3 4.45Å; M248-W263 HydrophobicContact CE-CD2 3.73Å; M248-W263 VanDerWaalsContact CE-CE2 3.45Å; M248-W263 HydrophobicContact CE-CE3 4.43Å; M248-W263 HydrophobicContact CE-CG 3.85Å; M248-W263 HydrophobicContact CE-CZ2 3.93Å; M248-W263 HydrophobicContact CG-CD2 4.41Å; M248-W263 HydrophobicContact CG-CE3 4.18Å; M248-W263 HydrophobicContact CG-CH2 4.13Å; M248-W263 HydrophobicContact CG-CZ2 4.36Å; M248-W263 HydrophobicContact CG-CZ3 4.04Å; M248-W263 HydrophobicContact SD-CH2 4.23Å; M248-W263 HydrophobicContact SD-CZ2 3.92Å; M248-Y329 WeakPolarHBondContact O-CA 3.2Å; M248-I330 HydrophobicContact CG-CB 3.83Å; M248-I330 HydrophobicContact CG-CG1 4.49Å; M248-I330 PolarHBondContact N-O 3.11Å; M248-I330 PolarHBondContact O-N 3.12Å; M248-I330 HydrophobicContact SD-CB 4.39Å; M248-I330 HydrophobicContact SD-CD1 4.24Å |
| 249 | V | 91.3 | Very high | 73.2 | Confident | 57 Ų | 57 | 72.7 Ų | 72.7 | 35% | 0.345 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 129.2 | 164.8 | -176.6 | 0 | 0 | 0 | 0 | 106.1 | F247 D251 E328 Y329 | F247-V249 HydrophobicContact CE2-CG2 4.36Å; V249-D251 PolarHBondContact O-N 3.45Å; V249-E328 CarbonylContact C-O 3.36Å; V249-E328 WeakPolarHBondContact CA-O 3.36Å; V249-Y329 HydrophobicContact CG2-CD1 3.91Å; V249-Y329 HydrophobicContact CG2-CE1 3.79Å |
| 250 | A | 83.5 | Confident | 71.7 | Confident | 38 Ų | 38 | 75 Ų | 75 | 31% | 0.314 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 110.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | E328 I330 | A250-E328 HydrophobicContact CB-CB 4.05Å; A250-E328 PolarHBondContact N-O 2.73Å; A250-I330 HydrophobicContact CB-CD1 4.32Å; A250-I330 HydrophobicContact CB-CG1 4.49Å |
| 251 | D | 73.6 | Confident | 70.8 | Confident | 130 Ų | 130 | 72.3 Ų | 72.3 | 70% | 0.695 | 51% | 0.513 | S | S | * | . | trans | -100.5 | 108.2 | -177.2 | -164.5 | -7.1 | 0 | 0 | 0 | 109.1 | V249 A253 | V249-D251 PolarHBondContact O-N 3.45Å; D251-A253 VanDerWaalsContact C-N 3.29Å; D251-A253 VanDerWaalsContact OD1-CB 3.24Å; D251-A253 WeakPolarHBondContact OD1-CB 3.2Å; D251-A253 PolarHBondContact OD1-N 3.47Å | ||
| 252 | D | 55.2 | Low | 70.4 | Confident | 170 Ų | 170 | 77.3 Ų | 77.3 | 91% | 0.909 | 54% | 0.538 | S | S | * | . | trans | -87.9 | -2.5 | 177.4 | -139.1 | 6.3 | 0 | 0 | 0 | 111.2 | A254 | D252-A254 PolarHBondContact O-N 2.88Å; D252-A254 VanDerWaalsContact O-N 3.11Å | ||
| 253 | A | 47.7 | Very low | 70.2 | Confident | 75 Ų | 75 | 75.5 Ų | 75.5 | 62% | 0.62 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -85.7 | 86.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D251 | D251-A253 VanDerWaalsContact C-N 3.29Å; D251-A253 VanDerWaalsContact OD1-CB 3.24Å; D251-A253 WeakPolarHBondContact OD1-CB 3.2Å; D251-A253 PolarHBondContact OD1-N 3.47Å |
| 254 | A | 36.3 | Very low | 70.3 | Confident | 91 Ų | 91 | 76.9 Ų | 76.9 | 75% | 0.752 | 53% | 0.529 | S | S | * | . | trans | 78.2 | 127.9 | 166 | 0 | 0 | 0 | 0 | 0 | 117.9 | D252 G256 | D252-A254 PolarHBondContact O-N 2.88Å; D252-A254 VanDerWaalsContact O-N 3.11Å; A254-G256 VanDerWaalsContact C-N 3.26Å; A254-G256 PolarHBondContact O-N 2.84Å | ||
| 255 | A | 46.9 | Very low | 70.3 | Confident | 120 Ų | 120 | 80.5 Ų | 80.5 | 99% | 0.992 | 53% | 0.531 | S | S | * | . | trans | -65.3 | 81.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 256 | G | 39.6 | Very low | 70.3 | Confident | 60 Ų | 60 | 79.9 Ų | 79.9 | 62% | 0.619 | 53% | 0.528 | S | S | * | . | trans | -128.3 | 70.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A254 | A254-G256 VanDerWaalsContact C-N 3.26Å; A254-G256 PolarHBondContact O-N 2.84Å | ||
| 257 | S | 47.4 | Very low | 70.4 | Confident | 132 Ų | 132 | 79.2 Ų | 79.2 | 92% | 0.923 | 53% | 0.525 | S | S | * | . | S | Bend | trans | 31.4 | 91.5 | 166.2 | -157.8 | 0 | 0 | 0 | 0 | 118.1 | ||
| 258 | G | 46.3 | Very low | 70.5 | Confident | 75 Ų | 75 | 79 Ų | 79 | 77% | 0.773 | 52% | 0.524 | S | S | * | . | trans | 108.4 | 0.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | S260 | G258-S260 PolarHBondContact O-N 3.13Š| ||
| 259 | G | 48.6 | Very low | 70.6 | Confident | 80 Ų | 80 | 79 Ų | 79 | 83% | 0.825 | 52% | 0.524 | S | S | * | . | trans | -69.8 | 64.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A261 | G259-A261 PolarHBondContact O-N 2.79Š| ||
| 260 | S | 51.5 | Low | 70.8 | Confident | 100 Ų | 100 | 76.2 Ų | 76.2 | 70% | 0.699 | 51% | 0.508 | S | S | * | . | trans | -62.8 | 126.4 | 175.8 | 63.6 | 0 | 0 | 0 | 0 | 110.5 | G258 Q262 | G258-S260 PolarHBondContact O-N 3.13Å; S260-Q262 PolarHBondContact O-N 2.9Å | ||
| 261 | A | 66.7 | Low | 71.2 | Confident | 59 Ų | 59 | 76.4 Ų | 76.4 | 49% | 0.488 | 50% | 0.5 | S | S | . | . | trans | -56.4 | 103.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111 | M248 G259 | M248-A261 HydrophobicContact CE-CB 3.59Å; M248-A261 WeakPolarHBondContact CE-O 3.42Å; M248-A261 HydrophobicContact SD-CB 3.99Å; G259-A261 PolarHBondContact O-N 2.79Å | ||
| 262 | Q | 83.8 | Confident | 71.8 | Confident | 143 Ų | 143 | 75.6 Ų | 75.6 | 67% | 0.668 | 49% | 0.488 | S | S | * | . | trans | -96.2 | 111.8 | -171.2 | -169.9 | -174.8 | -2.6 | 0 | 0 | 111.6 | S260 Q264 | S260-Q262 PolarHBondContact O-N 2.9Å; Q262-Q264 PolarHBondContact O-N 3.33Å; Q262-Q264 VanDerWaalsContact O-N 3.09Å | ||
| 263 | W | 90.6 | Very high | 72.9 | Confident | 51 Ų | 51 | 68.2 Ų | 68.2 | 19% | 0.193 | 45% | 0.45 | C | S | . | . | trans | -56.3 | 109.6 | 168.9 | -71.4 | 104.7 | 0 | 0 | 0 | 112.3 | R246 F247 M248 M312 T318 I330 E332 | R246-W263 HydrophobicContact CB-CE3 3.88Å; R246-W263 HydrophobicContact CB-CZ3 4.49Å; R246-W263 VanDerWaalsContact CZ-CB 3.46Å; F247-W263 CarbonylContact O-C 3.53Å; F247-W263 WeakPolarHBondContact O-CA 3.35Å; M248-W263 HydrophobicContact CB-CE3 4.45Å; M248-W263 HydrophobicContact CE-CD2 3.73Å; M248-W263 VanDerWaalsContact CE-CE2 3.45Å; M248-W263 HydrophobicContact CE-CE3 4.43Å; M248-W263 HydrophobicContact CE-CG 3.85Å; M248-W263 HydrophobicContact CE-CZ2 3.93Å; M248-W263 HydrophobicContact CG-CD2 4.41Å; M248-W263 HydrophobicContact CG-CE3 4.18Å; M248-W263 HydrophobicContact CG-CH2 4.13Å; M248-W263 HydrophobicContact CG-CZ2 4.36Å; M248-W263 HydrophobicContact CG-CZ3 4.04Å; M248-W263 HydrophobicContact SD-CH2 4.23Å; M248-W263 HydrophobicContact SD-CZ2 3.92Å; W263-M312 HydrophobicContact CZ2-CE 3.89Å; W263-M312 HydrophobicContact CZ2-SD 4.4Å; W263-T318 HydrophobicContact CH2-CG2 4.01Å; W263-I330 HydrophobicContact CH2-CG2 4.05Å; W263-E332 HydrophobicContact CE3-CB 4.22Å; W263-E332 HydrophobicContact CH2-CB 3.79Å; W263-E332 HydrophobicContact CZ3-CB 3.51Å | ||
| 264 | Q | 94.2 | Very high | 73.8 | Confident | 49 Ų | 49 | 71 Ų | 71 | 23% | 0.229 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 135.8 | 173.2 | -73.6 | 158.8 | 85.1 | 0 | 0 | 110.1 | R246 F247 Q262 V285 | R246-Q264 CarbonylContact C-O 3.57Å; R246-Q264 VanDerWaalsContact CA-O 3.32Å; R246-Q264 WeakPolarHBondContact CA-O 3.44Å; F247-Q264 HydrophobicContact CD1-CB 4.01Å; F247-Q264 WeakPolarHBondContact CD1-O 3.43Å; F247-Q264 HydrophobicContact CE1-CB 3.52Å; F247-Q264 HydrophobicContact CZ-CB 4.13Å; F247-Q264 PolarHBondContact N-O 3.06Å; F247-Q264 PolarHBondContact O-N 3.09Å; Q262-Q264 PolarHBondContact O-N 3.33Å; Q262-Q264 VanDerWaalsContact O-N 3.09Å; Q264-V285 HydrophobicContact CB-CG1 4.35Å |
| 265 | K | 93.9 | Very high | 75 | Confident | 149 Ų | 149 | 70.1 Ų | 70.1 | 65% | 0.648 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 127.4 | 169.2 | -70.4 | -179.4 | 177.9 | -177.2 | 0 | 109.1 | R246 P287 | R246-K265 HydrophobicContact CG-CG 3.91Å; K265-P287 HydrophobicContact CB-CG 4.18Å; K265-P287 WeakPolarHBondContact O-CD 3.36Å |
| 266 | C | 96.3 | Very high | 75.6 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 163.3 | 175.7 | 67.2 | 0 | 0 | 0 | 0 | 111.7 | A244 L245 F247 F284 V285 | A244-C266 WeakPolarHBondContact CA-O 3.41Å; L245-C266 PolarHBondContact N-O 2.75Å; L245-C266 PolarHBondContact O-N 3.06Å; F247-C266 HydrophobicContact CD1-CB 3.72Å; F247-C266 HydrophobicContact CE1-CB 3.9Å; C266-F284 CarbonylContact C-O 3.58Å; C266-F284 VanDerWaalsContact CA-O 3.27Å; C266-F284 WeakPolarHBondContact CA-O 3.37Å; C266-V285 HydrophobicContact CB-CG2 3.8Å |
| 267 | R | 97 | Very high | 76.7 | Confident | 67 Ų | 67 | 74 Ų | 74 | 25% | 0.253 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 115.4 | 157.2 | 176.9 | 173.7 | 75.8 | 101.6 | 5.2 | 105.9 | E242 G243 F284 P287 | E242-R267 HydrophobicContact CG-CG 4.09Å; E242-R267 WeakPolarHBondContact OE1-CD 3.35Å; E242-R267 IonicContact OE1-CZ 3.53Å; E242-R267 IonicContact OE1-NE 3.16Å; E242-R267 IonicContact OE1-NH1 3.65Å; E242-R267 PolarHBondContact OE1-NH1 2.8Å; E242-R267 IonicContact OE2-NH1 3.61Å; E242-R267 PolarHBondContact OE2-NH1 2.88Å; E242-R267 VanDerWaalsContact OE2-NH1 3.16Å; G243-R267 CarbonylContact O-C 3.54Å; G243-R267 WeakPolarHBondContact O-CA 3.42Å; R267-F284 HydrophobicContact CB-CB 4.16Å; R267-F284 PolarHBondContact N-O 2.99Å; R267-F284 PolarHBondContact O-N 3.5Å; R267-P287 HydrophobicContact CB-CB 3.91Å; R267-P287 WeakPolarHBondContact CD-O 3.43Å; R267-P287 PolarHBondContact NE-O 3.14Å |
| 268 | L | 97.3 | Very high | 78 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 132.6 | -179.6 | -168.1 | 68.9 | 0 | 0 | 0 | 108.8 | E242 G243 L245 L281 E282 F283 L331 W342 | E242-L268 CarbonylContact C-O 3.52Å; E242-L268 WeakPolarHBondContact CA-O 3.25Å; G243-L268 PolarHBondContact N-O 2.94Å; G243-L268 PolarHBondContact O-N 3.49Å; L245-L268 HydrophobicContact CD1-CB 3.83Å; L245-L268 HydrophobicContact CD1-CD2 3.53Å; L245-L268 HydrophobicContact CD1-CG 4.33Å; L245-L268 HydrophobicContact CG-CB 4.48Å; L268-L281 HydrophobicContact CD1-CD1 3.91Å; L268-L281 HydrophobicContact CD1-CD2 4.16Å; L268-L281 HydrophobicContact CD1-CG 3.76Å; L268-L281 HydrophobicContact CD2-CD1 4.03Å; L268-L281 HydrophobicContact CG-CD1 3.84Å; L268-L281 HydrophobicContact CG-CG 4.27Å; L268-E282 WeakPolarHBondContact CA-O 3.46Å; L268-F283 HydrophobicContact CD1-CD1 3.85Å; L268-F283 HydrophobicContact CD1-CD2 3.66Å; L268-F283 HydrophobicContact CD1-CE1 3.8Å; L268-F283 HydrophobicContact CD1-CE2 3.59Å; L268-F283 HydrophobicContact CD1-CG 3.78Å; L268-F283 HydrophobicContact CD1-CZ 3.67Å; L268-L331 HydrophobicContact CD1-CD2 4.43Å; L268-L331 HydrophobicContact CD2-CD2 3.62Å; L268-W342 HydrophobicContact CB-CH2 3.95Å; L268-W342 HydrophobicContact CB-CZ2 4.28Å; L268-W342 HydrophobicContact CB-CZ3 4.48Å; L268-W342 HydrophobicContact CD2-CD2 4.27Å; L268-W342 HydrophobicContact CD2-CE3 3.8Å; L268-W342 HydrophobicContact CD2-CH2 3.87Å; L268-W342 HydrophobicContact CD2-CZ2 4.3Å; L268-W342 HydrophobicContact CD2-CZ3 3.59Å; L268-W342 HydrophobicContact CG-CH2 3.98Å; L268-W342 HydrophobicContact CG-CZ3 4.01Å |
| 269 | L | 96.1 | Very high | 80.1 | Confident | 12 Ų | 12 | 72.2 Ų | 72.2 | 6% | 0.063 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 114.4 | -179.6 | 177.6 | 65.3 | 0 | 0 | 0 | 109.2 | I239 E242 R271 L281 E282 F284 | I239-L269 HydrophobicContact CB-CD1 4.46Å; I239-L269 HydrophobicContact CD1-CD1 4.21Å; I239-L269 HydrophobicContact CG1-CD1 4.15Å; I239-L269 HydrophobicContact CG2-CD1 3.58Å; E242-L269 HydrophobicContact CB-CD1 3.97Å; E242-L269 HydrophobicContact CG-CD1 3.99Å; L269-R271 HydrophobicContact CD2-CG 4.47Å; L269-R271 HydrophobicContact CG-CB 4.35Å; L269-R271 HydrophobicContact CG-CG 4.35Å; L269-L281 WeakPolarHBondContact O-CA 3.43Å; L269-E282 HydrophobicContact CB-CB 4.3Å; L269-E282 PolarHBondContact N-O 3.04Å; L269-E282 PolarHBondContact O-N 2.74Å; L269-F284 HydrophobicContact CB-CD2 4.45Å; L269-F284 HydrophobicContact CB-CE2 3.99Å; L269-F284 HydrophobicContact CD2-CE2 3.83Å; L269-F284 HydrophobicContact CD2-CZ 4.27Å |
| 270 | L | 95.2 | Very high | 82.3 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 115.4 | 167.9 | 176.6 | 64.9 | 0 | 0 | 0 | 107.9 | Q240 R241 L281 L298 W342 D345 I346 | Q240-L270 HydrophobicContact CB-CD2 4.1Å; Q240-L270 HydrophobicContact CB-CG 4.07Å; Q240-L270 PolarHBondContact N-O 2.82Å; R241-L270 HydrophobicContact CB-CB 4.16Å; R241-L270 PolarHBondContact N-O 2.81Å; R241-L270 VanDerWaalsContact N-O 3.08Å; R241-L270 PolarHBondContact O-N 2.92Å; L270-L281 HydrophobicContact CB-CD1 3.91Å; L270-L281 HydrophobicContact CD1-CD1 4.15Å; L270-L298 HydrophobicContact CD1-CD1 3.63Å; L270-L298 HydrophobicContact CD1-CD2 3.71Å; L270-L298 HydrophobicContact CD1-CG 4.33Å; L270-W342 HydrophobicContact CB-CZ3 4.27Å; L270-D345 HydrophobicContact CD2-CB 4.45Å; L270-D345 VanDerWaalsContact CD2-O 3.29Å; L270-D345 WeakPolarHBondContact CD2-O 3.03Å; L270-I346 HydrophobicContact CD2-CG1 4.21Å |
| 271 | R | 91.3 | Very high | 84.4 | Confident | 42 Ų | 42 | 66.4 Ų | 66.4 | 16% | 0.158 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 151.9 | -177.8 | 64 | 173.1 | -173.6 | 78.3 | 3.3 | 112.3 | D238 L269 F279 R280 E282 | D238-R271 CarbonylContact O-C 3.6Å; D238-R271 VanDerWaalsContact O-CA 3.28Å; D238-R271 WeakPolarHBondContact O-CA 3.44Å; D238-R271 WeakPolarHBondContact O-CB 3.43Å; L269-R271 HydrophobicContact CD2-CG 4.47Å; L269-R271 HydrophobicContact CG-CB 4.35Å; L269-R271 HydrophobicContact CG-CG 4.35Å; R271-F279 WeakPolarHBondContact O-CA 3.04Å; R271-R280 PolarHBondContact N-O 3.09Å; R271-R280 VanDerWaalsContact N-O 3.08Å; R271-R280 PolarHBondContact O-N 2.8Å; R271-E282 IonicContact CZ-OE1 3.21Å; R271-E282 IonicContact CZ-OE2 2.74Å; R271-E282 IonicContact NE-OE1 3.64Å; R271-E282 IonicContact NE-OE2 2.79Å; R271-E282 PolarHBondContact NE-OE2 3.23Å; R271-E282 VanDerWaalsContact NH2-CD 3.34Å; R271-E282 IonicContact NH2-OE1 2.77Å; R271-E282 PolarHBondContact NH2-OE1 3.01Å; R271-E282 IonicContact NH2-OE2 3.4Å; R271-E282 PolarHBondContact NH2-OE2 3.41Å |
| 272 | R | 86.2 | Confident | 85.7 | Confident | 113 Ų | 113 | 64.5 Ų | 64.5 | 43% | 0.426 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 145.3 | 165.9 | -168.5 | 164.2 | 60 | -170.3 | -2.1 | 109.3 | D238 R278 F279 | D238-R272 HydrophobicContact CB-CB 4.23Å; D238-R272 PolarHBondContact O-N 3.48Å; D238-R272 IonicContact OD1-CZ 3.2Å; D238-R272 IonicContact OD1-NE 2.84Å; D238-R272 PolarHBondContact OD1-NE 3.46Å; D238-R272 IonicContact OD1-NH2 2.72Å; D238-R272 PolarHBondContact OD1-NH2 2.95Å; R272-R278 WeakPolarHBondContact CA-O 3.49Å; R272-R278 WeakPolarHBondContact CG-O 3.25Å; R272-F279 HydrophobicContact CB-CD1 4.12Å; R272-F279 HydrophobicContact CB-CE1 3.9Å; R272-F279 HydrophobicContact CG-CE1 4.31Å |
| 273 | A | 79.3 | Confident | 86.4 | Confident | 14 Ų | 14 | 57.7 Ų | 57.7 | 12% | 0.116 | 27% | 0.271 | C | S | . | . | trans | -111.5 | 157.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110 | A275 E277 R278 R280 | A273-A275 VanDerWaalsContact C-N 3.33Å; A273-E277 WeakPolarHBondContact CB-O 3.21Å; A273-R278 PolarHBondContact N-O 3.29Å; A273-R280 HydrophobicContact CB-CG 3.97Å | ||
| 274 | V | 66.2 | Low | 86.7 | Confident | 135 Ų | 135 | 56 Ų | 56 | 82% | 0.818 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -104.4 | 30.5 | -171.4 | -157.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 275 | A | 60.8 | Low | 86.7 | Confident | 72 Ų | 72 | 54.9 Ų | 54.9 | 60% | 0.595 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -130.9 | -172.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | A273 E277 | A273-A275 VanDerWaalsContact C-N 3.33Å; A275-E277 PolarHBondContact O-N 2.88Å |
| 276 | E | 59.4 | Low | 86.6 | Confident | 202 Ų | 202 | 52 Ų | 52 | 94% | 0.944 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -59.6 | -31.1 | 177.8 | -65.3 | 164.3 | 170.7 | 0 | 0 | 112.2 | R278 | E276-R278 PolarHBondContact O-N 3.2Š|
| 277 | E | 63.6 | Low | 86.3 | Confident | 60 Ų | 60 | 54 Ų | 54 | 28% | 0.28 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -65.3 | 114.1 | 164.5 | -64 | 174.1 | 177.9 | 0 | 0 | 111 | A273 A275 R280 P297 | A273-E277 WeakPolarHBondContact CB-O 3.21Å; A275-E277 PolarHBondContact O-N 2.88Å; E277-R280 IonicContact OE1-NH1 2.93Å; E277-R280 PolarHBondContact OE1-NH1 2.74Å; E277-R280 WeakPolarHBondContact OE2-CD 3.32Å; E277-R280 VanDerWaalsContact OE2-CG 3.27Å; E277-R280 WeakPolarHBondContact OE2-CG 3.37Å; E277-R280 IonicContact OE2-CZ 3.45Å; E277-R280 IonicContact OE2-NE 3.64Å; E277-R280 IonicContact OE2-NH1 2.64Å; E277-R280 PolarHBondContact OE2-NH1 2.77Å; E277-P297 HydrophobicContact CG-CB 4.17Å; E277-P297 WeakPolarHBondContact OE1-CB 3.32Å |
| 278 | R | 74.4 | Confident | 85.9 | Confident | 134 Ų | 134 | 59.6 Ų | 59.6 | 51% | 0.506 | 30% | 0.297 | S | S | . | . | trans | -66.7 | -38.3 | 178.4 | -55.6 | -172.2 | -162.4 | -171.2 | 9.1 | 112.8 | R272 A273 E276 P352 D354 | R272-R278 WeakPolarHBondContact CA-O 3.49Å; R272-R278 WeakPolarHBondContact CG-O 3.25Å; A273-R278 PolarHBondContact N-O 3.29Å; E276-R278 PolarHBondContact O-N 3.2Å; R278-P352 VanDerWaalsContact CZ-CB 3.46Å; R278-P352 VanDerWaalsContact NH1-CB 3.28Å; R278-D354 IonicContact NH2-OD1 3.93Å | ||
| 279 | F | 91.1 | Very high | 85.6 | Confident | 35 Ų | 35 | 60.8 Ų | 60.8 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 148.7 | -175.1 | -66.7 | -78.2 | 0 | 0 | 0 | 113.5 | Q240 R271 R272 L298 C349 | Q240-F279 HydrophobicContact CG-CD1 4.23Å; Q240-F279 HydrophobicContact CG-CE1 3.66Å; R271-F279 WeakPolarHBondContact O-CA 3.04Å; R272-F279 HydrophobicContact CB-CD1 4.12Å; R272-F279 HydrophobicContact CB-CE1 3.9Å; R272-F279 HydrophobicContact CG-CE1 4.31Å; F279-L298 HydrophobicContact CB-CB 4.13Å; F279-L298 HydrophobicContact CB-CD1 4.12Å; F279-L298 HydrophobicContact CB-CD2 3.82Å; F279-L298 HydrophobicContact CB-CG 4.23Å; F279-L298 PolarHBondContact O-N 2.79Å; F279-C349 HydrophobicContact CB-CB 4.41Å; F279-C349 HydrophobicContact CD1-CB 4.35Å; F279-C349 HydrophobicContact CD2-CB 3.73Å; F279-C349 WeakPolarHBondContact CD2-O 3.25Å; F279-C349 HydrophobicContact CE2-CB 4.04Å; F279-C349 HydrophobicContact CG-CB 3.92Å; F279-C349 HydrophobicContact CZ-CB 4.5Å |
| 280 | R | 93.1 | Very high | 85.3 | Confident | 58 Ų | 58 | 66 Ų | 66 | 22% | 0.219 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 147.3 | 173.7 | -61.8 | -178.5 | 73.1 | 102.5 | 5.3 | 111.5 | R271 A273 E277 S295 P297 | R271-R280 PolarHBondContact N-O 3.09Å; R271-R280 VanDerWaalsContact N-O 3.08Å; R271-R280 PolarHBondContact O-N 2.8Å; A273-R280 HydrophobicContact CB-CG 3.97Å; E277-R280 IonicContact OE1-NH1 2.93Å; E277-R280 PolarHBondContact OE1-NH1 2.74Å; E277-R280 WeakPolarHBondContact OE2-CD 3.32Å; E277-R280 VanDerWaalsContact OE2-CG 3.27Å; E277-R280 WeakPolarHBondContact OE2-CG 3.37Å; E277-R280 IonicContact OE2-CZ 3.45Å; E277-R280 IonicContact OE2-NE 3.64Å; E277-R280 IonicContact OE2-NH1 2.64Å; E277-R280 PolarHBondContact OE2-NH1 2.77Å; R280-S295 PolarHBondContact NE-OG 3.13Å; R280-S295 VanDerWaalsContact NE-OG 3.16Å; R280-S295 PolarHBondContact NH2-OG 3.47Å; R280-P297 HydrophobicContact CG-CB 4.48Å |
| 281 | L | 95.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 121.1 | 176.6 | -166.7 | 69.1 | 0 | 0 | 0 | 110.3 | L268 L269 L270 F283 S295 I296 L298 I301 L321 I346 | L268-L281 HydrophobicContact CD1-CD1 3.91Å; L268-L281 HydrophobicContact CD1-CD2 4.16Å; L268-L281 HydrophobicContact CD1-CG 3.76Å; L268-L281 HydrophobicContact CD2-CD1 4.03Å; L268-L281 HydrophobicContact CG-CD1 3.84Å; L268-L281 HydrophobicContact CG-CG 4.27Å; L269-L281 WeakPolarHBondContact O-CA 3.43Å; L270-L281 HydrophobicContact CB-CD1 3.91Å; L270-L281 HydrophobicContact CD1-CD1 4.15Å; L281-F283 HydrophobicContact CD2-CE2 3.91Å; L281-F283 HydrophobicContact CD2-CZ 4.24Å; L281-F283 HydrophobicContact CG-CE2 4.08Å; L281-S295 WeakPolarHBondContact O-CA 3.48Å; L281-I296 PolarHBondContact N-O 2.84Å; L281-I296 PolarHBondContact O-N 3.41Å; L281-L298 HydrophobicContact CB-CD1 3.84Å; L281-I301 HydrophobicContact CD2-CD1 4.25Å; L281-L321 HydrophobicContact CD2-CD1 3.43Å; L281-L321 VanDerWaalsContact CD2-CD1 3.43Å; L281-I346 HydrophobicContact CD1-CD1 4.33Å; L281-I346 HydrophobicContact CD1-CG1 4.49Å; L281-I346 HydrophobicContact CD2-CD1 4.18Å |
| 282 | E | 96 | Very high | 85.2 | Confident | 18 Ų | 18 | 75.6 Ų | 75.6 | 8% | 0.084 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 122.1 | -168.9 | -69.1 | -171.8 | 151 | 0 | 0 | 112.6 | L268 L269 R271 F284 P292 S295 | L268-E282 WeakPolarHBondContact CA-O 3.46Å; L269-E282 HydrophobicContact CB-CB 4.3Å; L269-E282 PolarHBondContact N-O 3.04Å; L269-E282 PolarHBondContact O-N 2.74Å; R271-E282 IonicContact CZ-OE1 3.21Å; R271-E282 IonicContact CZ-OE2 2.74Å; R271-E282 IonicContact NE-OE1 3.64Å; R271-E282 IonicContact NE-OE2 2.79Å; R271-E282 PolarHBondContact NE-OE2 3.23Å; R271-E282 VanDerWaalsContact NH2-CD 3.34Å; R271-E282 IonicContact NH2-OE1 2.77Å; R271-E282 PolarHBondContact NH2-OE1 3.01Å; R271-E282 IonicContact NH2-OE2 3.4Å; R271-E282 PolarHBondContact NH2-OE2 3.41Å; E282-F284 HydrophobicContact CB-CD2 4.44Å; E282-F284 HydrophobicContact CB-CE2 3.8Å; E282-P292 HydrophobicContact CB-CB 3.98Å; E282-P292 HydrophobicContact CB-CG 4.31Å; E282-P292 HydrophobicContact CG-CB 4.44Å; E282-P292 HydrophobicContact CG-CG 4.29Å; E282-S295 PolarHBondContact OE1-OG 3.07Å |
| 283 | F | 96.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 101.1 | -177.7 | -65.8 | -116.3 | 0 | 0 | 0 | 109.7 | F247 L268 L281 V285 P292 K293 V294 I296 L321 Y329 L331 | F247-F283 HydrophobicContact CB-CE1 4.28Å; F247-F283 HydrophobicContact CD1-CD1 4.16Å; F247-F283 HydrophobicContact CD2-CD1 4.02Å; F247-F283 AromaticContact CD2-CE1 3.97Å; F247-F283 HydrophobicContact CD2-CE1 3.97Å; F247-F283 HydrophobicContact CE1-CD1 4.37Å; F247-F283 HydrophobicContact CE2-CD1 4.22Å; F247-F283 AromaticContact CG-CD1 3.99Å; F247-F283 HydrophobicContact CG-CD1 3.99Å; F247-F283 HydrophobicContact CG-CE1 4.03Å; F247-F283 HydrophobicContact CZ-CD1 4.39Å; L268-F283 HydrophobicContact CD1-CD1 3.85Å; L268-F283 HydrophobicContact CD1-CD2 3.66Å; L268-F283 HydrophobicContact CD1-CE1 3.8Å; L268-F283 HydrophobicContact CD1-CE2 3.59Å; L268-F283 HydrophobicContact CD1-CG 3.78Å; L268-F283 HydrophobicContact CD1-CZ 3.67Å; L281-F283 HydrophobicContact CD2-CE2 3.91Å; L281-F283 HydrophobicContact CD2-CZ 4.24Å; L281-F283 HydrophobicContact CG-CE2 4.08Å; F283-V285 HydrophobicContact CB-CG2 4.34Å; F283-V285 PolarHBondContact O-N 3.44Å; F283-P292 CarbonylContact O-C 3.58Å; F283-P292 WeakPolarHBondContact O-CA 3.17Å; F283-K293 PolarHBondContact O-N 3.13Å; F283-V294 HydrophobicContact CB-CB 4.06Å; F283-V294 HydrophobicContact CB-CG2 4.49Å; F283-V294 HydrophobicContact CD2-CB 4.18Å; F283-V294 HydrophobicContact CG-CB 4.28Å; F283-V294 PolarHBondContact N-O 3.35Å; F283-V294 PolarHBondContact O-N 2.87Å; F283-I296 HydrophobicContact CD2-CD1 4.4Å; F283-I296 HydrophobicContact CE2-CD1 3.64Å; F283-I296 HydrophobicContact CE2-CG1 4.25Å; F283-I296 HydrophobicContact CZ-CD1 4.26Å; F283-L321 HydrophobicContact CZ-CD1 4.33Å; F283-Y329 HydrophobicContact CE1-CD1 4.4Å; F283-Y329 HydrophobicContact CZ-CD1 4.39Å; F283-L331 HydrophobicContact CE1-CD1 4.41Å; F283-L331 HydrophobicContact CE1-CD2 3.91Å; F283-L331 HydrophobicContact CE1-CG 4.33Å; F283-L331 HydrophobicContact CZ-CD1 4.44Å; F283-L331 HydrophobicContact CZ-CD2 4.15Å |
| 284 | F | 96.7 | Very high | 86.3 | Confident | 15 Ų | 15 | 77.2 Ų | 77.2 | 7% | 0.066 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 113.8 | 173.9 | -65.4 | -98.9 | 0 | 0 | 0 | 109.8 | C266 R267 L269 E282 P286 P287 A289 R291 P292 | C266-F284 CarbonylContact C-O 3.58Å; C266-F284 VanDerWaalsContact CA-O 3.27Å; C266-F284 WeakPolarHBondContact CA-O 3.37Å; R267-F284 HydrophobicContact CB-CB 4.16Å; R267-F284 PolarHBondContact N-O 2.99Å; R267-F284 PolarHBondContact O-N 3.5Å; L269-F284 HydrophobicContact CB-CD2 4.45Å; L269-F284 HydrophobicContact CB-CE2 3.99Å; L269-F284 HydrophobicContact CD2-CE2 3.83Å; L269-F284 HydrophobicContact CD2-CZ 4.27Å; E282-F284 HydrophobicContact CB-CD2 4.44Å; E282-F284 HydrophobicContact CB-CE2 3.8Å; F284-P286 CarbonylContact C-O 3.57Å; F284-P286 VanDerWaalsContact C-O 3.28Å; F284-P286 CarbonylContact O-C 3.52Å; F284-P287 WeakPolarHBondContact O-CA 3.44Å; F284-A289 VanDerWaalsContact CD1-O 3.26Å; F284-A289 WeakPolarHBondContact CD1-O 3.4Å; F284-R291 VanDerWaalsContact CD1-C 3.4Å; F284-R291 WeakPolarHBondContact CD1-O 3.41Å; F284-R291 VanDerWaalsContact CE1-C 3.46Å; F284-P292 HydrophobicContact CD1-CB 4.43Å; F284-P292 HydrophobicContact CD2-CB 4.41Å; F284-P292 HydrophobicContact CE1-CB 4.34Å; F284-P292 HydrophobicContact CE2-CB 4.29Å; F284-P292 HydrophobicContact CG-CB 4.48Å; F284-P292 HydrophobicContact CZ-CB 4.26Å; F284-P292 HydrophobicContact CZ-CG 4.37Å |
| 285 | V | 94.8 | Very high | 87.6 | Confident | 27 Ų | 27 | 72.8 Ų | 72.8 | 16% | 0.164 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -134.1 | 111.6 | -175 | -171.3 | 0 | 0 | 0 | 0 | 108.8 | F247 Q264 C266 F283 K293 | F247-V285 HydrophobicContact CE1-CG2 3.54Å; F247-V285 HydrophobicContact CZ-CG2 3.95Å; Q264-V285 HydrophobicContact CB-CG1 4.35Å; C266-V285 HydrophobicContact CB-CG2 3.8Å; F283-V285 HydrophobicContact CB-CG2 4.34Å; F283-V285 PolarHBondContact O-N 3.44Å; V285-K293 HydrophobicContact CB-CB 3.82Å; V285-K293 HydrophobicContact CB-CD 3.71Å; V285-K293 HydrophobicContact CB-CG 4.38Å; V285-K293 HydrophobicContact CG1-CD 3.99Å; V285-K293 HydrophobicContact CG2-CB 4.07Å; V285-K293 HydrophobicContact CG2-CD 4.19Å |
| 286 | P | 91.1 | Very high | 89.2 | Confident | 89 Ų | 89 | 69.7 Ų | 69.7 | 58% | 0.578 | 35% | 0.345 | S | S | * | . | S | Bend | cis | -63.3 | 164.8 | -3.8 | 29.5 | -37.1 | 0 | 0 | 0 | 112.8 | F284 K288 A289 | F284-P286 CarbonylContact C-O 3.57Å; F284-P286 VanDerWaalsContact C-O 3.28Å; F284-P286 CarbonylContact O-C 3.52Å; P286-K288 PolarHBondContact O-N 3.16Å; P286-A289 WeakPolarHBondContact O-CB 3.2Å; P286-A289 PolarHBondContact O-N 3.45Å |
| 287 | P | 90.6 | Very high | 90.8 | Very high | 41 Ų | 41 | 61.2 Ų | 61.2 | 27% | 0.266 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -31.1 | -176.2 | -30.9 | 37.5 | 0 | 0 | 0 | 115.3 | K265 R267 F284 A289 | K265-P287 HydrophobicContact CB-CG 4.18Å; K265-P287 WeakPolarHBondContact O-CD 3.36Å; R267-P287 HydrophobicContact CB-CB 3.91Å; R267-P287 WeakPolarHBondContact CD-O 3.43Å; R267-P287 PolarHBondContact NE-O 3.14Å; F284-P287 WeakPolarHBondContact O-CA 3.44Å; P287-A289 VanDerWaalsContact C-N 3.34Å |
| 288 | K | 88.9 | Confident | 92.1 | Very high | 185 Ų | 185 | 58.6 Ų | 58.6 | 80% | 0.804 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 6.9 | 179.8 | -61 | -175 | 177.6 | -177.7 | 0 | 114.3 | P286 | P286-K288 PolarHBondContact O-N 3.16Š|
| 289 | A | 90.4 | Very high | 92.8 | Very high | 25 Ų | 25 | 56.8 Ų | 56.8 | 21% | 0.207 | 30% | 0.303 | C | S | . | . | trans | -64.1 | 145.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | F284 P286 P287 R291 | F284-A289 VanDerWaalsContact CD1-O 3.26Å; F284-A289 WeakPolarHBondContact CD1-O 3.4Å; P286-A289 WeakPolarHBondContact O-CB 3.2Å; P286-A289 PolarHBondContact O-N 3.45Å; P287-A289 VanDerWaalsContact C-N 3.34Å; A289-R291 VanDerWaalsContact C-N 3.32Å; A289-R291 WeakPolarHBondContact CB-O 3.47Å | ||
| 290 | S | 89.5 | Confident | 92.8 | Very high | 120 Ų | 120 | 55.2 Ų | 55.2 | 84% | 0.839 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -82.8 | -7.8 | 176.2 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 291 | R | 91.2 | Very high | 92.8 | Very high | 201 Ų | 201 | 52.9 Ų | 52.9 | 76% | 0.758 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -138.6 | 148.1 | 176 | -65.8 | -180 | 65.8 | -167 | -1.4 | 108.9 | F284 A289 | F284-R291 VanDerWaalsContact CD1-C 3.4Å; F284-R291 WeakPolarHBondContact CD1-O 3.41Å; F284-R291 VanDerWaalsContact CE1-C 3.46Å; A289-R291 VanDerWaalsContact C-N 3.32Å; A289-R291 WeakPolarHBondContact CB-O 3.47Å |
| 292 | P | 94.4 | Very high | 92.6 | Very high | 44 Ų | 44 | 58.1 Ų | 58.1 | 29% | 0.286 | 32% | 0.315 | S | S | . | . | trans | -69.2 | 148.9 | 173.9 | 28.8 | -33.5 | 0 | 0 | 0 | 111.4 | E282 F283 F284 | E282-P292 HydrophobicContact CB-CB 3.98Å; E282-P292 HydrophobicContact CB-CG 4.31Å; E282-P292 HydrophobicContact CG-CB 4.44Å; E282-P292 HydrophobicContact CG-CG 4.29Å; F283-P292 CarbonylContact O-C 3.58Å; F283-P292 WeakPolarHBondContact O-CA 3.17Å; F284-P292 HydrophobicContact CD1-CB 4.43Å; F284-P292 HydrophobicContact CD2-CB 4.41Å; F284-P292 HydrophobicContact CE1-CB 4.34Å; F284-P292 HydrophobicContact CE2-CB 4.29Å; F284-P292 HydrophobicContact CG-CB 4.48Å; F284-P292 HydrophobicContact CZ-CB 4.26Å; F284-P292 HydrophobicContact CZ-CG 4.37Å | ||
| 293 | K | 93.8 | Very high | 92.4 | Very high | 128 Ų | 128 | 60.7 Ų | 60.7 | 56% | 0.557 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -81.1 | -34.7 | 169.4 | 179.5 | -179.3 | 173.8 | -179.3 | 0 | 111 | F283 V285 | F283-K293 PolarHBondContact O-N 3.13Å; V285-K293 HydrophobicContact CB-CB 3.82Å; V285-K293 HydrophobicContact CB-CD 3.71Å; V285-K293 HydrophobicContact CB-CG 4.38Å; V285-K293 HydrophobicContact CG1-CD 3.99Å; V285-K293 HydrophobicContact CG2-CB 4.07Å; V285-K293 HydrophobicContact CG2-CD 4.19Å |
| 294 | V | 93.8 | Very high | 92.4 | Very high | 33 Ų | 33 | 61.5 Ų | 61.5 | 20% | 0.2 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 135.2 | 175.2 | -165.6 | 0 | 0 | 0 | 0 | 108.2 | F283 I296 Y329 | F283-V294 HydrophobicContact CB-CB 4.06Å; F283-V294 HydrophobicContact CB-CG2 4.49Å; F283-V294 HydrophobicContact CD2-CB 4.18Å; F283-V294 HydrophobicContact CG-CB 4.28Å; F283-V294 PolarHBondContact N-O 3.35Å; F283-V294 PolarHBondContact O-N 2.87Å; V294-I296 HydrophobicContact CG1-CD1 4.12Å; V294-I296 HydrophobicContact CG1-CG1 3.78Å; V294-Y329 HydrophobicContact CG1-CE1 4.25Å |
| 295 | S | 93.9 | Very high | 92.2 | Very high | 41 Ų | 41 | 63.6 Ų | 63.6 | 29% | 0.287 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 112.1 | 175.7 | 179.3 | 0 | 0 | 0 | 0 | 107.5 | R280 L281 E282 | R280-S295 PolarHBondContact NE-OG 3.13Å; R280-S295 VanDerWaalsContact NE-OG 3.16Å; R280-S295 PolarHBondContact NH2-OG 3.47Å; L281-S295 WeakPolarHBondContact O-CA 3.48Å; E282-S295 PolarHBondContact OE1-OG 3.07Å |
| 296 | I | 93.6 | Very high | 92.1 | Very high | 8 Ų | 8 | 64.4 Ų | 64.4 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 122.1 | -172.9 | -46.6 | 178.6 | 0 | 0 | 0 | 107.1 | L281 F283 V294 A300 I301 V323 Y329 | L281-I296 PolarHBondContact N-O 2.84Å; L281-I296 PolarHBondContact O-N 3.41Å; F283-I296 HydrophobicContact CD2-CD1 4.4Å; F283-I296 HydrophobicContact CE2-CD1 3.64Å; F283-I296 HydrophobicContact CE2-CG1 4.25Å; F283-I296 HydrophobicContact CZ-CD1 4.26Å; V294-I296 HydrophobicContact CG1-CD1 4.12Å; V294-I296 HydrophobicContact CG1-CG1 3.78Å; I296-A300 HydrophobicContact CG2-CB 4.46Å; I296-I301 HydrophobicContact CG2-CD1 4.49Å; I296-I301 HydrophobicContact CG2-CG1 3.99Å; I296-V323 HydrophobicContact CD1-CG2 4.13Å; I296-V323 HydrophobicContact CG2-CG1 4.07Å; I296-V323 HydrophobicContact CG2-CG2 4.02Å; I296-Y329 HydrophobicContact CD1-CD2 4.16Å; I296-Y329 HydrophobicContact CD1-CE1 4.41Å; I296-Y329 HydrophobicContact CD1-CE2 3.8Å |
| 297 | P | 92.6 | Very high | 92.1 | Very high | 23 Ų | 23 | 60.9 Ų | 60.9 | 15% | 0.149 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 143.8 | 171.3 | 31.8 | -32.7 | 0 | 0 | 0 | 109.5 | E277 R280 S299 A300 | E277-P297 HydrophobicContact CG-CB 4.17Å; E277-P297 WeakPolarHBondContact OE1-CB 3.32Å; R280-P297 HydrophobicContact CG-CB 4.48Å; P297-S299 PolarHBondContact O-N 3.14Å; P297-A300 HydrophobicContact CG-CB 3.79Å; P297-A300 WeakPolarHBondContact O-CB 3.38Å; P297-A300 PolarHBondContact O-N 3.4Å |
| 298 | L | 91.2 | Very high | 91.9 | Very high | 5 Ų | 5 | 64.1 Ų | 64.1 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -65.8 | -27.1 | -174.9 | -99.7 | 69.6 | 0 | 0 | 0 | 112.9 | L270 F279 L281 A300 I301 I346 C349 V350 | L270-L298 HydrophobicContact CD1-CD1 3.63Å; L270-L298 HydrophobicContact CD1-CD2 3.71Å; L270-L298 HydrophobicContact CD1-CG 4.33Å; F279-L298 HydrophobicContact CB-CB 4.13Å; F279-L298 HydrophobicContact CB-CD1 4.12Å; F279-L298 HydrophobicContact CB-CD2 3.82Å; F279-L298 HydrophobicContact CB-CG 4.23Å; F279-L298 PolarHBondContact O-N 2.79Å; L281-L298 HydrophobicContact CB-CD1 3.84Å; L298-A300 PolarHBondContact O-N 2.91Å; L298-I301 HydrophobicContact CD1-CD1 4.3Å; L298-I301 HydrophobicContact CG-CD1 4.12Å; L298-I301 WeakPolarHBondContact O-CB 3.39Å; L298-I301 PolarHBondContact O-N 2.78Å; L298-I301 VanDerWaalsContact O-N 3.08Å; L298-I346 HydrophobicContact CD2-CG2 4.34Å; L298-C349 HydrophobicContact CD2-CB 3.37Å; L298-V350 HydrophobicContact CB-CG2 4.16Å; L298-V350 HydrophobicContact CD2-CG2 3.88Å; L298-V350 HydrophobicContact CG-CG2 4Å |
| 299 | S | 89.1 | Confident | 91.2 | Very high | 97 Ų | 97 | 60.4 Ų | 60.4 | 68% | 0.678 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -62.3 | -21.5 | 172.3 | 51.5 | 0 | 0 | 0 | 0 | 114.3 | P297 | P297-S299 PolarHBondContact O-N 3.14Š|
| 300 | A | 91.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 2% | 0.017 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -87.8 | -4.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | I296 P297 L298 I302 V323 E324 | I296-A300 HydrophobicContact CG2-CB 4.46Å; P297-A300 HydrophobicContact CG-CB 3.79Å; P297-A300 WeakPolarHBondContact O-CB 3.38Å; P297-A300 PolarHBondContact O-N 3.4Å; L298-A300 PolarHBondContact O-N 2.91Å; A300-I302 PolarHBondContact O-N 3.17Å; A300-V323 HydrophobicContact CB-CG1 4.1Å; A300-V323 CarbonylContact O-C 3.28Å; A300-V323 VanDerWaalsContact O-CA 3.28Å; A300-V323 WeakPolarHBondContact O-CA 3.41Å; A300-V323 WeakPolarHBondContact O-CG1 3.29Å; A300-E324 HydrophobicContact CB-CG 3.97Å; A300-E324 WeakPolarHBondContact CB-OE1 3.38Å; A300-E324 PolarHBondContact O-N 3.43Å |
| 301 | I | 92.4 | Very high | 90.3 | Very high | 9 Ų | 9 | 65 Ų | 65 | 5% | 0.046 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 105 | 179.5 | -55.2 | -177.6 | 0 | 0 | 0 | 108.4 | L281 I296 L298 V304 L321 K322 I346 | L281-I301 HydrophobicContact CD2-CD1 4.25Å; I296-I301 HydrophobicContact CG2-CD1 4.49Å; I296-I301 HydrophobicContact CG2-CG1 3.99Å; L298-I301 HydrophobicContact CD1-CD1 4.3Å; L298-I301 HydrophobicContact CG-CD1 4.12Å; L298-I301 WeakPolarHBondContact O-CB 3.39Å; L298-I301 PolarHBondContact O-N 2.78Å; L298-I301 VanDerWaalsContact O-N 3.08Å; I301-V304 HydrophobicContact CG2-CG2 3.52Å; I301-L321 HydrophobicContact CG2-CD2 4.38Å; I301-K322 CarbonylContact C-O 3.51Å; I301-K322 WeakPolarHBondContact CA-O 3.23Å; I301-I346 HydrophobicContact CD1-CG2 4.37Å |
| 302 | I | 92.2 | Very high | 89.8 | Confident | 110 Ų | 110 | 56.9 Ų | 56.9 | 56% | 0.564 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -18.5 | -177.3 | 64.9 | 171.5 | 0 | 0 | 0 | 113.1 | A300 K322 E324 | A300-I302 PolarHBondContact O-N 3.17Å; I302-K322 HydrophobicContact CD1-CD 4.17Å; I302-K322 HydrophobicContact CD1-CG 3.98Å; I302-K322 HydrophobicContact CG1-CB 4.05Å; I302-K322 HydrophobicContact CG1-CD 4.39Å; I302-K322 HydrophobicContact CG1-CG 3.91Å; I302-K322 PolarHBondContact N-O 3.32Å; I302-E324 HydrophobicContact CG2-CB 4.03Å |
| 303 | E | 92.3 | Very high | 88.9 | Confident | 71 Ų | 71 | 58.6 Ų | 58.6 | 33% | 0.332 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 133.1 | -179.5 | -155.8 | -174.9 | 165.7 | 0 | 0 | 111.1 | R305 K322 | E303-R305 HydrophobicContact CG-CG 4.42Å; E303-R305 WeakPolarHBondContact OE1-CD 3.44Å; E303-R305 IonicContact OE1-CZ 3.87Å; E303-R305 IonicContact OE1-NE 3.7Å; E303-R305 PolarHBondContact OE1-NE 3.43Å; E303-K322 HydrophobicContact CB-CB 3.66Å; E303-K322 PolarHBondContact N-O 3.12Å; E303-K322 PolarHBondContact O-N 3.01Å; E303-K322 WeakPolarHBondContact OE2-CD 3.36Å |
| 304 | V | 95.2 | Very high | 88.1 | Confident | 18 Ų | 18 | 62.3 Ų | 62.3 | 11% | 0.109 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 111.4 | 170.7 | -176.3 | 0 | 0 | 0 | 0 | 107.9 | I301 L321 V343 I346 Q347 | I301-V304 HydrophobicContact CG2-CG2 3.52Å; V304-L321 HydrophobicContact CB-CD2 4.18Å; V304-L321 HydrophobicContact CG1-CD2 3.78Å; V304-L321 HydrophobicContact CG2-CD2 3.71Å; V304-V343 HydrophobicContact CG1-CB 4.43Å; V304-V343 HydrophobicContact CG1-CG1 4.16Å; V304-V343 HydrophobicContact CG1-CG2 4.29Å; V304-I346 HydrophobicContact CG1-CG2 4.49Å; V304-I346 HydrophobicContact CG2-CG2 3.92Å; V304-Q347 HydrophobicContact CB-CG 3.91Å; V304-Q347 HydrophobicContact CG1-CG 4.01Å; V304-Q347 PolarHBondContact O-NE2 3.25Å |
| 305 | R | 93 | Very high | 87.5 | Confident | 58 Ų | 58 | 63.5 Ų | 63.5 | 22% | 0.219 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 160.3 | -179.6 | 61.6 | 168.3 | 170.6 | 90.1 | -1.4 | 112.9 | E303 E311 F319 V320 | E303-R305 HydrophobicContact CG-CG 4.42Å; E303-R305 WeakPolarHBondContact OE1-CD 3.44Å; E303-R305 IonicContact OE1-CZ 3.87Å; E303-R305 IonicContact OE1-NE 3.7Å; E303-R305 PolarHBondContact OE1-NE 3.43Å; R305-E311 IonicContact CZ-OE1 2.7Å; R305-E311 VanDerWaalsContact CZ-OE1 3.23Å; R305-E311 IonicContact CZ-OE2 3.73Å; R305-E311 IonicContact NH1-OE1 2.83Å; R305-E311 PolarHBondContact NH1-OE1 3.15Å; R305-E311 IonicContact NH1-OE2 2.65Å; R305-E311 PolarHBondContact NH1-OE2 3.48Å; R305-E311 IonicContact NH2-OE1 2.65Å; R305-E311 PolarHBondContact NH2-OE1 3.33Å; R305-F319 CarbonylContact O-C 3.55Å; R305-F319 WeakPolarHBondContact O-CA 3.44Å; R305-F319 WeakPolarHBondContact O-CB 3.46Å; R305-V320 HydrophobicContact CG-CB 4.38Å; R305-V320 PolarHBondContact N-O 2.79Å; R305-V320 PolarHBondContact O-N 3.06Å |
| 306 | T | 93.4 | Very high | 87.2 | Confident | 45 Ų | 45 | 66.2 Ų | 66.2 | 28% | 0.276 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 148.7 | 167.2 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | K339 | T306-K339 HydrophobicContact CG2-CD 3.69Å; T306-K339 HydrophobicContact CG2-CG 4.3Å |
| 307 | T | 90.3 | Very high | 87.2 | Confident | 14 Ų | 14 | 67 Ų | 67 | 9% | 0.086 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 139.6 | 171.6 | 49.4 | 0 | 0 | 0 | 0 | 110.7 | E311 M312 T318 V320 I330 | T307-E311 WeakPolarHBondContact CA-OE2 3.37Å; T307-M312 HydrophobicContact CG2-CB 4.14Å; T307-M312 HydrophobicContact CG2-CG 3.75Å; T307-T318 PolarHBondContact N-O 2.67Å; T307-T318 WeakPolarHBondContact OG1-CB 3.34Å; T307-T318 PolarHBondContact OG1-O 3.48Å; T307-T318 VanDerWaalsContact OG1-O 3.11Å; T307-T318 PolarHBondContact OG1-OG1 3.33Å; T307-V320 HydrophobicContact CG2-CG2 3.56Å; T307-I330 HydrophobicContact CG2-CG2 3.91Å |
| 308 | M | 85.8 | Confident | 87.3 | Confident | 110 Ų | 110 | 65.9 Ų | 65.9 | 54% | 0.542 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 151.2 | 168.6 | -65.6 | -63.4 | 178.9 | 0 | 0 | 110.3 | L310 E311 M312 | M308-L310 PolarHBondContact O-N 3.22Å; M308-E311 HydrophobicContact CB-CG 4.31Å; M308-E311 PolarHBondContact N-OE2 3.26Å; M308-E311 PolarHBondContact O-N 2.89Å; M308-M312 PolarHBondContact O-N 2.82Å |
| 309 | P | 74.4 | Confident | 87.5 | Confident | 106 Ų | 106 | 65.7 Ų | 65.7 | 69% | 0.688 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -17.3 | -179.3 | -26 | 35.4 | 0 | 0 | 0 | 115.4 | P313 | P309-P313 VanDerWaalsContact O-CA 3.29Å; P309-P313 WeakPolarHBondContact O-CA 3.35Å |
| 310 | L | 79.1 | Confident | 87.8 | Confident | 166 Ų | 166 | 61.2 Ų | 61.2 | 87% | 0.869 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -26.2 | 175.1 | -173.8 | 61.8 | 0 | 0 | 0 | 112.9 | M308 | M308-L310 PolarHBondContact O-N 3.22Š|
| 311 | E | 81.8 | Confident | 88 | Confident | 77 Ų | 77 | 61.1 Ų | 61.1 | 36% | 0.36 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -45.3 | 179.1 | -57.4 | 170.5 | 132.7 | 0 | 0 | 111 | R305 T307 M308 | R305-E311 IonicContact CZ-OE1 2.7Å; R305-E311 VanDerWaalsContact CZ-OE1 3.23Å; R305-E311 IonicContact CZ-OE2 3.73Å; R305-E311 IonicContact NH1-OE1 2.83Å; R305-E311 PolarHBondContact NH1-OE1 3.15Å; R305-E311 IonicContact NH1-OE2 2.65Å; R305-E311 PolarHBondContact NH1-OE2 3.48Å; R305-E311 IonicContact NH2-OE1 2.65Å; R305-E311 PolarHBondContact NH2-OE1 3.33Å; T307-E311 WeakPolarHBondContact CA-OE2 3.37Å; M308-E311 HydrophobicContact CB-CG 4.31Å; M308-E311 PolarHBondContact N-OE2 3.26Å; M308-E311 PolarHBondContact O-N 2.89Å |
| 312 | M | 82.3 | Confident | 88.1 | Confident | 29 Ų | 29 | 63.6 Ų | 63.6 | 14% | 0.143 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -131.3 | 82.3 | 177.6 | -71.8 | -56.4 | -44 | 0 | 0 | 109.5 | W263 T307 M308 K315 I330 | W263-M312 HydrophobicContact CZ2-CE 3.89Å; W263-M312 HydrophobicContact CZ2-SD 4.4Å; T307-M312 HydrophobicContact CG2-CB 4.14Å; T307-M312 HydrophobicContact CG2-CG 3.75Å; M308-M312 PolarHBondContact O-N 2.82Å; M312-K315 HydrophobicContact CB-CB 4.49Å; M312-K315 HydrophobicContact CE-CD 3.93Å; M312-I330 HydrophobicContact CG-CG2 4.06Å; M312-I330 HydrophobicContact SD-CD1 4.36Å; M312-I330 HydrophobicContact SD-CG2 4.44Å |
| 313 | P | 74.8 | Confident | 88.1 | Confident | 81 Ų | 81 | 58.9 Ų | 58.9 | 53% | 0.526 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 154.7 | 172.3 | 25.5 | -34.2 | 0 | 0 | 0 | 111.1 | P309 K315 | P309-P313 VanDerWaalsContact O-CA 3.29Å; P309-P313 WeakPolarHBondContact O-CA 3.35Å; P313-K315 PolarHBondContact O-N 2.9Å |
| 314 | E | 76.2 | Confident | 88.1 | Confident | 205 Ų | 205 | 62 Ų | 62 | 96% | 0.958 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 9 | 177.5 | -57.6 | 173.8 | -166.1 | 0 | 0 | 115.7 | ||
| 315 | K | 82.1 | Confident | 87.6 | Confident | 58 Ų | 58 | 67 Ų | 67 | 25% | 0.252 | 34% | 0.344 | S | S | . | . | trans | -127.2 | 109.2 | -179.5 | -63.1 | -159 | -172.9 | -173.8 | 0 | 113.6 | M312 P313 N317 T318 E332 | M312-K315 HydrophobicContact CB-CB 4.49Å; M312-K315 HydrophobicContact CE-CD 3.93Å; P313-K315 PolarHBondContact O-N 2.9Å; K315-N317 WeakPolarHBondContact CB-OD1 3.4Å; K315-T318 HydrophobicContact CB-CG2 4.21Å; K315-T318 HydrophobicContact CD-CG2 4.04Å; K315-T318 PolarHBondContact O-OG1 3.02Å; K315-E332 IonicContact NZ-OE1 3Å; K315-E332 PolarHBondContact NZ-OE1 2.99Å | ||
| 316 | D | 87.8 | Confident | 87.2 | Confident | 98 Ų | 98 | 67 Ų | 67 | 52% | 0.524 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -86.3 | -9.2 | 172.1 | 77.8 | -32.1 | 0 | 0 | 0 | 112.9 | S336 K339 | D316-S336 WeakPolarHBondContact O-CB 3.45Å; D316-S336 WeakPolarHBondContact OD2-CB 3.36Å; D316-S336 PolarHBondContact OD2-OG 3.22Å; D316-K339 VanDerWaalsContact O-CD 3.23Å; D316-K339 WeakPolarHBondContact O-CD 3.27Å; D316-K339 VanDerWaalsContact O-CE 3.25Å; D316-K339 WeakPolarHBondContact O-CE 3.37Å; D316-K339 PolarHBondContact O-NZ 3.29Å |
| 317 | N | 92.8 | Very high | 86.9 | Confident | 25 Ų | 25 | 65.7 Ų | 65.7 | 13% | 0.134 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -101.3 | 10.1 | -170.4 | 67 | -28 | 0 | 0 | 0 | 114.3 | K315 E332 T333 | K315-N317 WeakPolarHBondContact CB-OD1 3.4Å; N317-E332 WeakPolarHBondContact ND2-CG 3.35Å; N317-T333 PolarHBondContact ND2-O 2.72Å; N317-T333 PolarHBondContact O-N 3.42Å; N317-T333 PolarHBondContact O-OG1 3.24Å |
| 318 | T | 95.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 146 | -176.9 | 39.9 | 0 | 0 | 0 | 0 | 115 | W263 T307 K315 L331 E332 K339 | W263-T318 HydrophobicContact CH2-CG2 4.01Å; T307-T318 PolarHBondContact N-O 2.67Å; T307-T318 WeakPolarHBondContact OG1-CB 3.34Å; T307-T318 PolarHBondContact OG1-O 3.48Å; T307-T318 VanDerWaalsContact OG1-O 3.11Å; T307-T318 PolarHBondContact OG1-OG1 3.33Å; K315-T318 HydrophobicContact CB-CG2 4.21Å; K315-T318 HydrophobicContact CD-CG2 4.04Å; K315-T318 PolarHBondContact O-OG1 3.02Å; T318-L331 CarbonylContact C-O 3.55Å; T318-L331 WeakPolarHBondContact CA-O 3.25Å; T318-E332 HydrophobicContact CG2-CB 3.78Å; T318-E332 HydrophobicContact CG2-CG 4.08Å; T318-K339 WeakPolarHBondContact O-CD 3.43Å |
| 319 | F | 96.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 158.5 | 174.8 | 68.6 | -85.8 | 0 | 0 | 0 | 111.8 | R305 L321 I330 L331 T333 K339 W342 V343 I346 | R305-F319 CarbonylContact O-C 3.55Å; R305-F319 WeakPolarHBondContact O-CA 3.44Å; R305-F319 WeakPolarHBondContact O-CB 3.46Å; F319-L321 HydrophobicContact CD2-CD2 4.22Å; F319-L321 HydrophobicContact CD2-CG 4.23Å; F319-L321 HydrophobicContact CE2-CD1 4.17Å; F319-L321 HydrophobicContact CE2-CD2 3.99Å; F319-L321 HydrophobicContact CE2-CG 3.94Å; F319-I330 WeakPolarHBondContact O-CA 3.02Å; F319-L331 HydrophobicContact CD1-CB 4.03Å; F319-L331 HydrophobicContact CD2-CB 4.39Å; F319-L331 HydrophobicContact CE1-CB 3.66Å; F319-L331 HydrophobicContact CE1-CD2 4.44Å; F319-L331 HydrophobicContact CE2-CB 4.05Å; F319-L331 HydrophobicContact CE2-CD1 4.21Å; F319-L331 HydrophobicContact CE2-CD2 4.11Å; F319-L331 HydrophobicContact CE2-CG 4.35Å; F319-L331 HydrophobicContact CG-CB 4.39Å; F319-L331 HydrophobicContact CZ-CB 3.68Å; F319-L331 HydrophobicContact CZ-CD2 3.73Å; F319-L331 HydrophobicContact CZ-CG 4.18Å; F319-L331 PolarHBondContact N-O 3.16Å; F319-L331 PolarHBondContact O-N 3Å; F319-T333 HydrophobicContact CD1-CG2 4.05Å; F319-T333 HydrophobicContact CE1-CG2 3.65Å; F319-K339 HydrophobicContact CB-CG 3.96Å; F319-K339 HydrophobicContact CD1-CB 4.49Å; F319-K339 HydrophobicContact CD1-CG 4.02Å; F319-K339 HydrophobicContact CG-CG 4.44Å; F319-W342 HydrophobicContact CE1-CB 3.77Å; F319-W342 HydrophobicContact CE1-CG 4.27Å; F319-W342 HydrophobicContact CZ-CB 3.74Å; F319-W342 HydrophobicContact CZ-CG 4.24Å; F319-V343 HydrophobicContact CB-CG2 3.73Å; F319-V343 HydrophobicContact CD2-CG2 4.05Å; F319-V343 HydrophobicContact CG-CG2 3.88Å; F319-I346 HydrophobicContact CE2-CD1 4.12Å; F319-I346 HydrophobicContact CZ-CD1 4.47Å |
| 320 | V | 95.5 | Very high | 88.4 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 138.4 | -179.4 | -169.5 | 0 | 0 | 0 | 0 | 109.5 | R305 T307 Y329 | R305-V320 HydrophobicContact CG-CB 4.38Å; R305-V320 PolarHBondContact N-O 2.79Å; R305-V320 PolarHBondContact O-N 3.06Å; T307-V320 HydrophobicContact CG2-CG2 3.56Å; V320-Y329 CarbonylContact C-O 3.55Å; V320-Y329 WeakPolarHBondContact CA-O 3.41Å |
| 321 | L | 95.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 116.7 | 164 | -59.9 | 175 | 0 | 0 | 0 | 108.2 | L281 F283 I301 V304 F319 Y329 L331 I346 | L281-L321 HydrophobicContact CD2-CD1 3.43Å; L281-L321 VanDerWaalsContact CD2-CD1 3.43Å; F283-L321 HydrophobicContact CZ-CD1 4.33Å; I301-L321 HydrophobicContact CG2-CD2 4.38Å; V304-L321 HydrophobicContact CB-CD2 4.18Å; V304-L321 HydrophobicContact CG1-CD2 3.78Å; V304-L321 HydrophobicContact CG2-CD2 3.71Å; F319-L321 HydrophobicContact CD2-CD2 4.22Å; F319-L321 HydrophobicContact CD2-CG 4.23Å; F319-L321 HydrophobicContact CE2-CD1 4.17Å; F319-L321 HydrophobicContact CE2-CD2 3.99Å; F319-L321 HydrophobicContact CE2-CG 3.94Å; L321-Y329 PolarHBondContact N-O 3.43Å; L321-Y329 PolarHBondContact O-N 2.87Å; L321-L331 HydrophobicContact CB-CD1 4.45Å; L321-L331 HydrophobicContact CD1-CD1 3.72Å; L321-L331 HydrophobicContact CD1-CD2 4.34Å; L321-L331 HydrophobicContact CG-CD1 3.92Å; L321-I346 HydrophobicContact CD1-CD1 4.37Å; L321-I346 HydrophobicContact CD2-CD1 4.13Å; L321-I346 HydrophobicContact CD2-CG2 4.48Å |
| 322 | K | 93.6 | Very high | 89.9 | Confident | 61 Ų | 61 | 48.7 Ų | 48.7 | 27% | 0.265 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 132.5 | 174.4 | -165.6 | 166.9 | -174.3 | 142.3 | 0 | 109.7 | I301 I302 E303 E328 | I301-K322 CarbonylContact C-O 3.51Å; I301-K322 WeakPolarHBondContact CA-O 3.23Å; I302-K322 HydrophobicContact CD1-CD 4.17Å; I302-K322 HydrophobicContact CD1-CG 3.98Å; I302-K322 HydrophobicContact CG1-CB 4.05Å; I302-K322 HydrophobicContact CG1-CD 4.39Å; I302-K322 HydrophobicContact CG1-CG 3.91Å; I302-K322 PolarHBondContact N-O 3.32Å; E303-K322 HydrophobicContact CB-CB 3.66Å; E303-K322 PolarHBondContact N-O 3.12Å; E303-K322 PolarHBondContact O-N 3.01Å; E303-K322 WeakPolarHBondContact OE2-CD 3.36Å; K322-E328 HydrophobicContact CB-CG 4.2Å; K322-E328 HydrophobicContact CD-CG 4.14Å; K322-E328 WeakPolarHBondContact CD-OE1 3.47Å; K322-E328 WeakPolarHBondContact CE-OE1 3.28Å; K322-E328 HydrophobicContact CG-CG 3.76Å; K322-E328 IonicContact NZ-OE1 3.49Å; K322-E328 PolarHBondContact NZ-OE1 3.26Å |
| 323 | V | 94.1 | Very high | 90.5 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 147.4 | -175.7 | -174.1 | 0 | 0 | 0 | 0 | 110.1 | I296 A300 N325 G326 A327 Y329 | I296-V323 HydrophobicContact CD1-CG2 4.13Å; I296-V323 HydrophobicContact CG2-CG1 4.07Å; I296-V323 HydrophobicContact CG2-CG2 4.02Å; A300-V323 HydrophobicContact CB-CG1 4.1Å; A300-V323 CarbonylContact O-C 3.28Å; A300-V323 VanDerWaalsContact O-CA 3.28Å; A300-V323 WeakPolarHBondContact O-CA 3.41Å; A300-V323 WeakPolarHBondContact O-CG1 3.29Å; V323-N325 PolarHBondContact O-N 2.88Å; V323-G326 PolarHBondContact O-N 2.83Å; V323-A327 PolarHBondContact N-O 2.82Å; V323-Y329 HydrophobicContact CG2-CD2 3.93Å; V323-Y329 HydrophobicContact CG2-CE2 3.7Å |
| 324 | E | 90.7 | Very high | 91.1 | Very high | 138 Ų | 138 | 50.4 Ų | 50.4 | 65% | 0.645 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -28.5 | -178.4 | 71.7 | -174.1 | 159.3 | 0 | 0 | 114.4 | A300 I302 G326 | A300-E324 HydrophobicContact CB-CG 3.97Å; A300-E324 WeakPolarHBondContact CB-OE1 3.38Å; A300-E324 PolarHBondContact O-N 3.43Å; I302-E324 HydrophobicContact CG2-CB 4.03Å; E324-G326 PolarHBondContact O-N 2.81Å |
| 325 | N | 85.7 | Confident | 91.9 | Very high | 122 Ų | 122 | 43.6 Ų | 43.6 | 65% | 0.652 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 5.3 | 179.3 | 88.5 | -31.6 | 0 | 0 | 0 | 114.1 | V323 A327 | V323-N325 PolarHBondContact O-N 2.88Å; N325-A327 WeakPolarHBondContact OD1-CB 3.28Å; N325-A327 PolarHBondContact OD1-N 2.66Å; N325-A327 VanDerWaalsContact OD1-N 3.11Å |
| 326 | G | 83.4 | Confident | 92.3 | Very high | 57 Ų | 57 | 42.6 Ų | 42.6 | 59% | 0.588 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 90.2 | -6.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | V323 E324 | V323-G326 PolarHBondContact O-N 2.83Å; E324-G326 PolarHBondContact O-N 2.81Å |
| 327 | A | 89 | Confident | 92.5 | Very high | 19 Ų | 19 | 43 Ų | 43 | 16% | 0.157 | 24% | 0.236 | C | C | . | . | trans | -75.2 | 127.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V323 N325 Y329 | V323-A327 PolarHBondContact N-O 2.82Å; N325-A327 WeakPolarHBondContact OD1-CB 3.28Å; N325-A327 PolarHBondContact OD1-N 2.66Å; N325-A327 VanDerWaalsContact OD1-N 3.11Å; A327-Y329 HydrophobicContact CB-CD2 4.49Å; A327-Y329 HydrophobicContact CB-CE2 3.67Å | ||
| 328 | E | 92.6 | Very high | 92.4 | Very high | 44 Ų | 44 | 43.3 Ų | 43.3 | 21% | 0.206 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 127.6 | 172.3 | -77.2 | -175.6 | -160 | 0 | 0 | 110.9 | V249 A250 K322 | V249-E328 CarbonylContact C-O 3.36Å; V249-E328 WeakPolarHBondContact CA-O 3.36Å; A250-E328 HydrophobicContact CB-CB 4.05Å; A250-E328 PolarHBondContact N-O 2.73Å; K322-E328 HydrophobicContact CB-CG 4.2Å; K322-E328 HydrophobicContact CD-CG 4.14Å; K322-E328 WeakPolarHBondContact CD-OE1 3.47Å; K322-E328 WeakPolarHBondContact CE-OE1 3.28Å; K322-E328 HydrophobicContact CG-CG 3.76Å; K322-E328 IonicContact NZ-OE1 3.49Å; K322-E328 PolarHBondContact NZ-OE1 3.26Å |
| 329 | Y | 93.8 | Very high | 92.4 | Very high | 27 Ų | 27 | 44.1 Ų | 44.1 | 11% | 0.106 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 120 | 177.8 | -60.3 | -102 | 0 | 0 | 0 | 108.9 | F247 M248 V249 F283 V294 I296 V320 L321 V323 A327 L331 | F247-Y329 HydrophobicContact CD2-CD1 4.04Å; F247-Y329 HydrophobicContact CE2-CD1 4.18Å; F247-Y329 HydrophobicContact CE2-CE1 4.48Å; M248-Y329 WeakPolarHBondContact O-CA 3.2Å; V249-Y329 HydrophobicContact CG2-CD1 3.91Å; V249-Y329 HydrophobicContact CG2-CE1 3.79Å; F283-Y329 HydrophobicContact CE1-CD1 4.4Å; F283-Y329 HydrophobicContact CZ-CD1 4.39Å; V294-Y329 HydrophobicContact CG1-CE1 4.25Å; I296-Y329 HydrophobicContact CD1-CD2 4.16Å; I296-Y329 HydrophobicContact CD1-CE1 4.41Å; I296-Y329 HydrophobicContact CD1-CE2 3.8Å; V320-Y329 CarbonylContact C-O 3.55Å; V320-Y329 WeakPolarHBondContact CA-O 3.41Å; L321-Y329 PolarHBondContact N-O 3.43Å; L321-Y329 PolarHBondContact O-N 2.87Å; V323-Y329 HydrophobicContact CG2-CD2 3.93Å; V323-Y329 HydrophobicContact CG2-CE2 3.7Å; A327-Y329 HydrophobicContact CB-CD2 4.49Å; A327-Y329 HydrophobicContact CB-CE2 3.67Å; Y329-L331 WeakPolarHBondContact O-CD1 3.13Å |
| 330 | I | 94.4 | Very high | 92.2 | Very high | 18 Ų | 18 | 49 Ų | 49 | 9% | 0.092 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 121.5 | 171.8 | -49.9 | 178 | 0 | 0 | 0 | 107.9 | F247 M248 A250 W263 T307 M312 F319 | F247-I330 CarbonylContact C-O 3.59Å; F247-I330 WeakPolarHBondContact CA-O 3.28Å; M248-I330 HydrophobicContact CG-CB 3.83Å; M248-I330 HydrophobicContact CG-CG1 4.49Å; M248-I330 PolarHBondContact N-O 3.11Å; M248-I330 PolarHBondContact O-N 3.12Å; M248-I330 HydrophobicContact SD-CB 4.39Å; M248-I330 HydrophobicContact SD-CD1 4.24Å; A250-I330 HydrophobicContact CB-CD1 4.32Å; A250-I330 HydrophobicContact CB-CG1 4.49Å; W263-I330 HydrophobicContact CH2-CG2 4.05Å; T307-I330 HydrophobicContact CG2-CG2 3.91Å; M312-I330 HydrophobicContact CG-CG2 4.06Å; M312-I330 HydrophobicContact SD-CD1 4.36Å; M312-I330 HydrophobicContact SD-CG2 4.44Å; F319-I330 WeakPolarHBondContact O-CA 3.02Å |
| 331 | L | 96.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.8 | -178.3 | -70.7 | 86.1 | 0 | 0 | 0 | 110.4 | L245 R246 F247 L268 F283 T318 F319 L321 Y329 | L245-L331 HydrophobicContact CD1-CD2 4.03Å; R246-L331 WeakPolarHBondContact O-CA 3.42Å; F247-L331 HydrophobicContact CB-CG 3.94Å; L268-L331 HydrophobicContact CD1-CD2 4.43Å; L268-L331 HydrophobicContact CD2-CD2 3.62Å; F283-L331 HydrophobicContact CE1-CD1 4.41Å; F283-L331 HydrophobicContact CE1-CD2 3.91Å; F283-L331 HydrophobicContact CE1-CG 4.33Å; F283-L331 HydrophobicContact CZ-CD1 4.44Å; F283-L331 HydrophobicContact CZ-CD2 4.15Å; T318-L331 CarbonylContact C-O 3.55Å; T318-L331 WeakPolarHBondContact CA-O 3.25Å; F319-L331 HydrophobicContact CD1-CB 4.03Å; F319-L331 HydrophobicContact CD2-CB 4.39Å; F319-L331 HydrophobicContact CE1-CB 3.66Å; F319-L331 HydrophobicContact CE1-CD2 4.44Å; F319-L331 HydrophobicContact CE2-CB 4.05Å; F319-L331 HydrophobicContact CE2-CD1 4.21Å; F319-L331 HydrophobicContact CE2-CD2 4.11Å; F319-L331 HydrophobicContact CE2-CG 4.35Å; F319-L331 HydrophobicContact CG-CB 4.39Å; F319-L331 HydrophobicContact CZ-CB 3.68Å; F319-L331 HydrophobicContact CZ-CD2 3.73Å; F319-L331 HydrophobicContact CZ-CG 4.18Å; F319-L331 PolarHBondContact N-O 3.16Å; F319-L331 PolarHBondContact O-N 3Å; L321-L331 HydrophobicContact CB-CD1 4.45Å; L321-L331 HydrophobicContact CD1-CD1 3.72Å; L321-L331 HydrophobicContact CD1-CD2 4.34Å; L321-L331 HydrophobicContact CG-CD1 3.92Å; Y329-L331 WeakPolarHBondContact O-CD1 3.13Å |
| 332 | E | 95.5 | Very high | 92.2 | Very high | 26 Ų | 26 | 50.7 Ų | 50.7 | 12% | 0.121 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129.1 | 178.9 | 179.4 | -169 | -118.7 | 0 | 0 | 109.6 | R246 W263 K315 N317 T318 | R246-E332 HydrophobicContact CB-CB 4.23Å; R246-E332 WeakPolarHBondContact CB-OE2 3.24Å; R246-E332 VanDerWaalsContact CD-OE2 3.25Å; R246-E332 WeakPolarHBondContact CD-OE2 3.38Å; R246-E332 IonicContact CZ-OE2 3.87Å; R246-E332 PolarHBondContact N-O 2.79Å; R246-E332 VanDerWaalsContact N-O 3.14Å; R246-E332 IonicContact NE-OE2 2.74Å; R246-E332 IonicContact NH1-OE1 3.9Å; R246-E332 PolarHBondContact NH1-OE1 3.09Å; R246-E332 IonicContact NH1-OE2 3.23Å; R246-E332 PolarHBondContact NH1-OE2 2.92Å; R246-E332 PolarHBondContact O-N 3.18Å; W263-E332 HydrophobicContact CE3-CB 4.22Å; W263-E332 HydrophobicContact CH2-CB 3.79Å; W263-E332 HydrophobicContact CZ3-CB 3.51Å; K315-E332 IonicContact NZ-OE1 3Å; K315-E332 PolarHBondContact NZ-OE1 2.99Å; N317-E332 WeakPolarHBondContact ND2-CG 3.35Å; T318-E332 HydrophobicContact CG2-CB 3.78Å; T318-E332 HydrophobicContact CG2-CG 4.08Å |
| 333 | T | 95.6 | Very high | 92.3 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 5% | 0.049 | 27% | 0.265 | C | S | . | . | trans | -106.8 | 175.2 | -178.2 | 66.2 | 0 | 0 | 0 | 0 | 111.9 | L245 N317 F319 D335 Q338 K339 | L245-T333 HydrophobicContact CD2-CG2 3.75Å; N317-T333 PolarHBondContact ND2-O 2.72Å; N317-T333 PolarHBondContact O-N 3.42Å; N317-T333 PolarHBondContact O-OG1 3.24Å; F319-T333 HydrophobicContact CD1-CG2 4.05Å; F319-T333 HydrophobicContact CE1-CG2 3.65Å; T333-D335 VanDerWaalsContact C-N 3.33Å; T333-D335 PolarHBondContact OG1-O 2.96Å; T333-Q338 HydrophobicContact CG2-CB 4.41Å; T333-K339 HydrophobicContact CG2-CB 4.18Å; T333-K339 PolarHBondContact OG1-N 3.41Å | ||
| 334 | I | 88.7 | Confident | 92.3 | Very high | 139 Ų | 139 | 50.4 Ų | 50.4 | 71% | 0.713 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -66.5 | -37.1 | 179.7 | -61.9 | 170.4 | 0 | 0 | 0 | 111.5 | ||
| 335 | D | 91.2 | Very high | 92.4 | Very high | 62 Ų | 62 | 46.7 Ų | 46.7 | 33% | 0.332 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -155.7 | 160 | -175.9 | 53.8 | 56.2 | 0 | 0 | 0 | 109.9 | T333 L337 Q338 K339 | T333-D335 VanDerWaalsContact C-N 3.33Å; T333-D335 PolarHBondContact OG1-O 2.96Å; D335-L337 PolarHBondContact O-N 3.26Å; D335-L337 VanDerWaalsContact O-N 3.16Å; D335-L337 WeakPolarHBondContact OD1-CB 3.44Å; D335-L337 PolarHBondContact OD1-N 3.03Å; D335-Q338 PolarHBondContact O-N 2.91Å; D335-Q338 WeakPolarHBondContact OD1-CG 3.29Å; D335-Q338 PolarHBondContact OD1-N 2.74Å; D335-K339 PolarHBondContact O-N 3.3Å; D335-K339 VanDerWaalsContact O-N 3.11Å |
| 336 | S | 91.3 | Very high | 92.8 | Very high | 37 Ų | 37 | 40.9 Ų | 40.9 | 26% | 0.259 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.6 | -27.9 | 178.4 | 37.6 | 0 | 0 | 0 | 0 | 114 | D316 K339 H340 | D316-S336 WeakPolarHBondContact O-CB 3.45Å; D316-S336 WeakPolarHBondContact OD2-CB 3.36Å; D316-S336 PolarHBondContact OD2-OG 3.22Å; S336-K339 WeakPolarHBondContact O-CB 3.18Å; S336-K339 PolarHBondContact O-N 2.75Å; S336-H340 PolarHBondContact O-CD2 3.11Å; S336-H340 PolarHBondContact O-N 3.14Å |
| 337 | L | 91.3 | Very high | 93.1 | Very high | 105 Ų | 105 | 42 Ų | 42 | 55% | 0.55 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.1 | -37.5 | 174.3 | 179.1 | 64.3 | 0 | 0 | 0 | 111.8 | D335 S341 | D335-L337 PolarHBondContact O-N 3.26Å; D335-L337 VanDerWaalsContact O-N 3.16Å; D335-L337 WeakPolarHBondContact OD1-CB 3.44Å; D335-L337 PolarHBondContact OD1-N 3.03Å; L337-S341 WeakPolarHBondContact O-CB 3.43Å; L337-S341 PolarHBondContact O-N 3.43Å |
| 338 | Q | 91.1 | Very high | 93 | Very high | 32 Ų | 32 | 44.1 Ų | 44.1 | 15% | 0.15 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.5 | -38.3 | 170.4 | -72.8 | -48 | -81.9 | 0 | 0 | 112.4 | T333 D335 S341 W342 | T333-Q338 HydrophobicContact CG2-CB 4.41Å; D335-Q338 PolarHBondContact O-N 2.91Å; D335-Q338 WeakPolarHBondContact OD1-CG 3.29Å; D335-Q338 PolarHBondContact OD1-N 2.74Å; Q338-S341 PolarHBondContact O-N 3.33Å; Q338-W342 WeakPolarHBondContact O-CB 3.43Å; Q338-W342 VanDerWaalsContact O-CD1 3.23Å; Q338-W342 PolarHBondContact O-N 2.86Å |
| 339 | K | 94.8 | Very high | 92.7 | Very high | 18 Ų | 18 | 42.7 Ų | 42.7 | 8% | 0.078 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.4 | -53.6 | 170.5 | 174.1 | -152.5 | 66.7 | -174.9 | 0 | 111.2 | T306 D316 T318 F319 T333 D335 S336 S341 W342 V343 | T306-K339 HydrophobicContact CG2-CD 3.69Å; T306-K339 HydrophobicContact CG2-CG 4.3Å; D316-K339 VanDerWaalsContact O-CD 3.23Å; D316-K339 WeakPolarHBondContact O-CD 3.27Å; D316-K339 VanDerWaalsContact O-CE 3.25Å; D316-K339 WeakPolarHBondContact O-CE 3.37Å; D316-K339 PolarHBondContact O-NZ 3.29Å; T318-K339 WeakPolarHBondContact O-CD 3.43Å; F319-K339 HydrophobicContact CB-CG 3.96Å; F319-K339 HydrophobicContact CD1-CB 4.49Å; F319-K339 HydrophobicContact CD1-CG 4.02Å; F319-K339 HydrophobicContact CG-CG 4.44Å; T333-K339 HydrophobicContact CG2-CB 4.18Å; T333-K339 PolarHBondContact OG1-N 3.41Å; D335-K339 PolarHBondContact O-N 3.3Å; D335-K339 VanDerWaalsContact O-N 3.11Å; S336-K339 WeakPolarHBondContact O-CB 3.18Å; S336-K339 PolarHBondContact O-N 2.75Å; K339-S341 VanDerWaalsContact C-N 3.34Å; K339-S341 PolarHBondContact O-N 2.81Å; K339-W342 PolarHBondContact O-N 3.14Å; K339-V343 WeakPolarHBondContact O-CG2 3.27Å; K339-V343 PolarHBondContact O-N 3.26Å |
| 340 | H | 93.7 | Very high | 92.1 | Very high | 101 Ų | 101 | 43.6 Ų | 43.6 | 47% | 0.468 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.4 | -37.8 | -178.5 | -73.9 | -66.7 | 0 | 0 | 0 | 112.6 | S336 A344 | S336-H340 PolarHBondContact O-CD2 3.11Å; S336-H340 PolarHBondContact O-N 3.14Å; H340-A344 WeakPolarHBondContact O-CB 3.4Å; H340-A344 PolarHBondContact O-N 2.63Å; H340-A344 VanDerWaalsContact O-N 3.07Å |
| 341 | S | 94.3 | Very high | 90.4 | Very high | 37 Ų | 37 | 49.2 Ų | 49.2 | 26% | 0.259 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.4 | -54.4 | 171.3 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | R241 L337 Q338 K339 V343 A344 D345 | R241-S341 PolarHBondContact NH2-OG 3.42Å; L337-S341 WeakPolarHBondContact O-CB 3.43Å; L337-S341 PolarHBondContact O-N 3.43Å; Q338-S341 PolarHBondContact O-N 3.33Å; K339-S341 VanDerWaalsContact C-N 3.34Å; K339-S341 PolarHBondContact O-N 2.81Å; S341-V343 VanDerWaalsContact C-N 3.26Å; S341-V343 PolarHBondContact O-N 3.04Å; S341-A344 PolarHBondContact O-N 3.45Å; S341-A344 VanDerWaalsContact O-N 3.09Å; S341-D345 WeakPolarHBondContact O-CB 3.25Å; S341-D345 PolarHBondContact O-N 2.88Å; S341-D345 PolarHBondContact OG-OD2 2.99Å |
| 342 | W | 95.8 | Very high | 88.5 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 1% | 0.011 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.9 | -39.8 | 179.3 | -87.7 | 111.1 | 0 | 0 | 0 | 113 | R241 L245 L268 L270 F319 Q338 K339 I346 | R241-W342 HydrophobicContact CB-CH2 4.03Å; R241-W342 HydrophobicContact CB-CZ3 3.97Å; R241-W342 HydrophobicContact CG-CH2 4.04Å; R241-W342 HydrophobicContact CG-CZ2 4.3Å; R241-W342 HydrophobicContact CG-CZ3 4.17Å; R241-W342 VanDerWaalsContact NH1-CE2 3.26Å; R241-W342 VanDerWaalsContact NH1-NE1 3.2Å; L245-W342 HydrophobicContact CD1-CD2 4.36Å; L245-W342 HydrophobicContact CD1-CZ2 4.19Å; L268-W342 HydrophobicContact CB-CH2 3.95Å; L268-W342 HydrophobicContact CB-CZ2 4.28Å; L268-W342 HydrophobicContact CB-CZ3 4.48Å; L268-W342 HydrophobicContact CD2-CD2 4.27Å; L268-W342 HydrophobicContact CD2-CE3 3.8Å; L268-W342 HydrophobicContact CD2-CH2 3.87Å; L268-W342 HydrophobicContact CD2-CZ2 4.3Å; L268-W342 HydrophobicContact CD2-CZ3 3.59Å; L268-W342 HydrophobicContact CG-CH2 3.98Å; L268-W342 HydrophobicContact CG-CZ3 4.01Å; L270-W342 HydrophobicContact CB-CZ3 4.27Å; F319-W342 HydrophobicContact CE1-CB 3.77Å; F319-W342 HydrophobicContact CE1-CG 4.27Å; F319-W342 HydrophobicContact CZ-CB 3.74Å; F319-W342 HydrophobicContact CZ-CG 4.24Å; Q338-W342 WeakPolarHBondContact O-CB 3.43Å; Q338-W342 VanDerWaalsContact O-CD1 3.23Å; Q338-W342 PolarHBondContact O-N 2.86Å; K339-W342 PolarHBondContact O-N 3.14Å; W342-I346 HydrophobicContact CE3-CD1 4.22Å; W342-I346 HydrophobicContact CE3-CG1 4.45Å; W342-I346 WeakPolarHBondContact O-CB 3.23Å; W342-I346 WeakPolarHBondContact O-CD1 3.22Å; W342-I346 WeakPolarHBondContact O-CG1 3.43Å; W342-I346 PolarHBondContact O-N 2.85Å |
| 343 | V | 95.6 | Very high | 86 | Confident | 11 Ų | 11 | 54 Ų | 54 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.5 | -51.3 | 175 | 165.6 | 0 | 0 | 0 | 0 | 110.9 | V304 F319 K339 S341 I346 Q347 | V304-V343 HydrophobicContact CG1-CB 4.43Å; V304-V343 HydrophobicContact CG1-CG1 4.16Å; V304-V343 HydrophobicContact CG1-CG2 4.29Å; F319-V343 HydrophobicContact CB-CG2 3.73Å; F319-V343 HydrophobicContact CD2-CG2 4.05Å; F319-V343 HydrophobicContact CG-CG2 3.88Å; K339-V343 WeakPolarHBondContact O-CG2 3.27Å; K339-V343 PolarHBondContact O-N 3.26Å; S341-V343 VanDerWaalsContact C-N 3.26Å; S341-V343 PolarHBondContact O-N 3.04Å; V343-I346 PolarHBondContact O-N 3.29Å; V343-Q347 HydrophobicContact CG1-CG 4.43Å; V343-Q347 WeakPolarHBondContact O-CB 3.32Å; V343-Q347 VanDerWaalsContact O-CG 3.25Å; V343-Q347 WeakPolarHBondContact O-CG 3.49Å; V343-Q347 PolarHBondContact O-N 3.33Å |
| 344 | A | 93.1 | Very high | 83.4 | Confident | 54 Ų | 54 | 59.5 Ų | 59.5 | 45% | 0.446 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H340 S341 I346 Q347 G348 | H340-A344 WeakPolarHBondContact O-CB 3.4Å; H340-A344 PolarHBondContact O-N 2.63Å; H340-A344 VanDerWaalsContact O-N 3.07Å; S341-A344 PolarHBondContact O-N 3.45Å; S341-A344 VanDerWaalsContact O-N 3.09Å; A344-I346 VanDerWaalsContact C-N 3.32Å; A344-I346 PolarHBondContact O-N 2.9Å; A344-Q347 PolarHBondContact O-N 3.06Å; A344-G348 PolarHBondContact O-N 3.47Å |
| 345 | D | 93.3 | Very high | 80.9 | Confident | 60 Ų | 60 | 58.8 Ų | 58.8 | 32% | 0.321 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.4 | -34.1 | -179.6 | -63.7 | -45 | 0 | 0 | 0 | 111.5 | R241 L270 S341 C349 | R241-D345 VanDerWaalsContact CD-OD2 3.28Å; R241-D345 WeakPolarHBondContact CD-OD2 3.12Å; R241-D345 IonicContact CZ-OD2 2.75Å; R241-D345 IonicContact NE-OD2 2.8Å; R241-D345 PolarHBondContact NE-OD2 3.19Å; R241-D345 IonicContact NH2-OD2 2.93Å; L270-D345 HydrophobicContact CD2-CB 4.45Å; L270-D345 VanDerWaalsContact CD2-O 3.29Å; L270-D345 WeakPolarHBondContact CD2-O 3.03Å; S341-D345 WeakPolarHBondContact O-CB 3.25Å; S341-D345 PolarHBondContact O-N 2.88Å; S341-D345 PolarHBondContact OG-OD2 2.99Å; D345-C349 PolarHBondContact O-SG 2.88Å |
| 346 | I | 93.6 | Very high | 78.8 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -76.1 | -50 | 173 | -65 | 167.4 | 0 | 0 | 0 | 110.6 | L270 L281 L298 I301 V304 F319 L321 W342 V343 A344 G348 C349 V350 | L270-I346 HydrophobicContact CD2-CG1 4.21Å; L281-I346 HydrophobicContact CD1-CD1 4.33Å; L281-I346 HydrophobicContact CD1-CG1 4.49Å; L281-I346 HydrophobicContact CD2-CD1 4.18Å; L298-I346 HydrophobicContact CD2-CG2 4.34Å; I301-I346 HydrophobicContact CD1-CG2 4.37Å; V304-I346 HydrophobicContact CG1-CG2 4.49Å; V304-I346 HydrophobicContact CG2-CG2 3.92Å; F319-I346 HydrophobicContact CE2-CD1 4.12Å; F319-I346 HydrophobicContact CZ-CD1 4.47Å; L321-I346 HydrophobicContact CD1-CD1 4.37Å; L321-I346 HydrophobicContact CD2-CD1 4.13Å; L321-I346 HydrophobicContact CD2-CG2 4.48Å; W342-I346 HydrophobicContact CE3-CD1 4.22Å; W342-I346 HydrophobicContact CE3-CG1 4.45Å; W342-I346 WeakPolarHBondContact O-CB 3.23Å; W342-I346 WeakPolarHBondContact O-CD1 3.22Å; W342-I346 WeakPolarHBondContact O-CG1 3.43Å; W342-I346 PolarHBondContact O-N 2.85Å; V343-I346 PolarHBondContact O-N 3.29Å; A344-I346 VanDerWaalsContact C-N 3.32Å; A344-I346 PolarHBondContact O-N 2.9Å; I346-G348 PolarHBondContact O-N 2.9Å; I346-C349 CarbonylContact O-C 3.48Å; I346-C349 WeakPolarHBondContact O-CA 3.21Å; I346-C349 PolarHBondContact O-N 2.87Å; I346-V350 HydrophobicContact CG2-CG2 4.17Å; I346-V350 WeakPolarHBondContact O-CG2 3.38Å; I346-V350 PolarHBondContact O-N 2.86Å; I346-V350 VanDerWaalsContact O-N 3.1Å |
| 347 | Q | 91.4 | Very high | 76.4 | Confident | 81 Ų | 81 | 72.5 Ų | 72.5 | 38% | 0.379 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -56.9 | -46.5 | -179.5 | -75.7 | 171.6 | -20.1 | 0 | 0 | 111.9 | V304 V343 A344 C349 V350 D351 | V304-Q347 HydrophobicContact CB-CG 3.91Å; V304-Q347 HydrophobicContact CG1-CG 4.01Å; V304-Q347 PolarHBondContact O-NE2 3.25Å; V343-Q347 HydrophobicContact CG1-CG 4.43Å; V343-Q347 WeakPolarHBondContact O-CB 3.32Å; V343-Q347 VanDerWaalsContact O-CG 3.25Å; V343-Q347 WeakPolarHBondContact O-CG 3.49Å; V343-Q347 PolarHBondContact O-N 3.33Å; A344-Q347 PolarHBondContact O-N 3.06Å; Q347-C349 PolarHBondContact O-N 3.28Å; Q347-V350 PolarHBondContact O-N 3.02Å; Q347-D351 PolarHBondContact O-N 2.93Å |
| 348 | G | 87 | Confident | 73.8 | Confident | 63 Ų | 63 | 73.9 Ų | 73.9 | 65% | 0.649 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.4 | -2.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A344 I346 | A344-G348 PolarHBondContact O-N 3.47Å; I346-G348 PolarHBondContact O-N 2.9Å |
| 349 | C | 85.6 | Confident | 71.4 | Confident | 15 Ų | 15 | 78.8 Ų | 78.8 | 10% | 0.101 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -114.1 | -6.6 | 170.3 | -63.5 | 0 | 0 | 0 | 0 | 113.3 | F279 L298 D345 I346 Q347 | F279-C349 HydrophobicContact CB-CB 4.41Å; F279-C349 HydrophobicContact CD1-CB 4.35Å; F279-C349 HydrophobicContact CD2-CB 3.73Å; F279-C349 WeakPolarHBondContact CD2-O 3.25Å; F279-C349 HydrophobicContact CE2-CB 4.04Å; F279-C349 HydrophobicContact CG-CB 3.92Å; F279-C349 HydrophobicContact CZ-CB 4.5Å; L298-C349 HydrophobicContact CD2-CB 3.37Å; D345-C349 PolarHBondContact O-SG 2.88Å; I346-C349 CarbonylContact O-C 3.48Å; I346-C349 WeakPolarHBondContact O-CA 3.21Å; I346-C349 PolarHBondContact O-N 2.87Å; Q347-C349 PolarHBondContact O-N 3.28Å |
| 350 | V | 80.1 | Confident | 68.7 | Low | 45 Ų | 45 | 86 Ų | 86 | 27% | 0.273 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -88 | -31 | 176.3 | 168.7 | 0 | 0 | 0 | 0 | 111.5 | L298 I346 Q347 P352 | L298-V350 HydrophobicContact CB-CG2 4.16Å; L298-V350 HydrophobicContact CD2-CG2 3.88Å; L298-V350 HydrophobicContact CG-CG2 4Å; I346-V350 HydrophobicContact CG2-CG2 4.17Å; I346-V350 WeakPolarHBondContact O-CG2 3.38Å; I346-V350 PolarHBondContact O-N 2.86Å; I346-V350 VanDerWaalsContact O-N 3.1Å; Q347-V350 PolarHBondContact O-N 3.02Å; V350-P352 VanDerWaalsContact C-CD 3.49Å; V350-P352 WeakPolarHBondContact O-CD 3.44Å |
| 351 | D | 58.7 | Low | 65.7 | Low | 136 Ų | 136 | 89.5 Ų | 89.5 | 73% | 0.727 | 52% | 0.52 | S | S | * | . | trans | -89 | 103.7 | 177.5 | -79.2 | -55.6 | 0 | 0 | 0 | 113.4 | Q347 | Q347-D351 PolarHBondContact O-N 2.93Š| ||
| 352 | P | 57.3 | Low | 62.6 | Low | 55 Ų | 55 | 92.7 Ų | 92.7 | 36% | 0.357 | 54% | 0.542 | S | S | . | . | trans | -128.2 | 67.1 | 148.6 | 39 | -29 | 0 | 0 | 0 | 110.3 | R278 V350 D354 | R278-P352 VanDerWaalsContact CZ-CB 3.46Å; R278-P352 VanDerWaalsContact NH1-CB 3.28Å; V350-P352 VanDerWaalsContact C-CD 3.49Å; V350-P352 WeakPolarHBondContact O-CD 3.44Å; P352-D354 PolarHBondContact O-N 2.84Å; P352-D354 VanDerWaalsContact O-N 3.16Å | ||
| 353 | G | 43.7 | Very low | 59.3 | Low | 72 Ų | 72 | 97.7 Ų | 97.7 | 74% | 0.742 | 58% | 0.577 | S | S | * | * | trans | -62.6 | 114.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 354 | D | 39.7 | Very low | 56.2 | Low | 123 Ų | 123 | 103.3 Ų | 103.3 | 66% | 0.658 | 61% | 0.611 | S | S | * | * | trans | -67.5 | 151.2 | 171.3 | -68.3 | -54.1 | 0 | 0 | 0 | 110.5 | R278 P352 | R278-D354 IonicContact NH2-OD1 3.93Å; P352-D354 PolarHBondContact O-N 2.84Å; P352-D354 VanDerWaalsContact O-N 3.16Å | ||
| 355 | S | 37.4 | Very low | 53.2 | Low | 124 Ų | 124 | 112.4 Ų | 112.4 | 87% | 0.867 | 63% | 0.634 | S | S | * | * | trans | -145.7 | 73.7 | 169.7 | -69.7 | 0 | 0 | 0 | 0 | 107.6 | E357 | S355-E357 PolarHBondContact O-N 2.9Š| ||
| 356 | E | 45.8 | Very low | 50.2 | Low | 193 Ų | 193 | 113.6 Ų | 113.6 | 90% | 0.902 | 66% | 0.66 | S | S | * | * | trans | -72.1 | 102.2 | 171.1 | -62.1 | -173.7 | 124.8 | 0 | 0 | 109.1 | ||||
| 357 | E | 40.4 | Very low | 47.2 | Very low | 194 Ų | 194 | 117 Ų | 117 | 91% | 0.907 | 70% | 0.695 | S | S | * | * | trans | -124 | 136.3 | 151.9 | -164.9 | 171 | 109.8 | 0 | 0 | 108.6 | S355 | S355-E357 PolarHBondContact O-N 2.9Š| ||
| 358 | D | 37.8 | Very low | 44.4 | Very low | 134 Ų | 134 | 119.2 Ų | 119.2 | 72% | 0.717 | 72% | 0.718 | S | S | * | * | trans | -91.2 | 125.7 | -162 | -177.3 | 12.7 | 0 | 0 | 0 | 112.3 | ||||
| 359 | T | 41 | Very low | 41.7 | Very low | 136 Ų | 136 | 124.4 Ų | 124.4 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | trans | -152.7 | 101.7 | 153.7 | -64 | 0 | 0 | 0 | 0 | 108.9 | L361 | T359-L361 PolarHBondContact O-N 3.49Š| ||
| 360 | E | 37.5 | Very low | 39.1 | Very low | 169 Ų | 169 | 128.4 Ų | 128.4 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -55.1 | 133.8 | 168.3 | -66 | -168.2 | 106.9 | 0 | 0 | 112 | ||||
| 361 | L | 30.7 | Very low | 36.6 | Very low | 175 Ų | 175 | 132.1 Ų | 132.1 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | -164.5 | 107.8 | 125.1 | -105.2 | 173.6 | 0 | 0 | 0 | 110.4 | T359 | T359-L361 PolarHBondContact O-N 3.49Š| |||
| 362 | S | 29.5 | Very low | 35.5 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -81.9 | 138.6 | 179.8 | 179.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 363 | C | 26.5 | Very low | 34.4 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 73% | 0.73 | 83% | 0.826 | S | S | * | * | -170.3 | 108.4 | 125.6 | -99.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 364 | T | 30.9 | Very low | 33.7 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 79% | 0.791 | 83% | 0.827 | S | S | * | * | trans | 59.6 | 142.1 | 138.9 | 65.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 365 | R | 30.5 | Very low | 33.4 | Very low | 244 Ų | 244 | 142 Ų | 142 | 92% | 0.921 | 83% | 0.834 | S | S | * | * | trans | 87.6 | 59.8 | 150 | -149.9 | 174.1 | -170.1 | 158.7 | 2 | 119 | ||||
| 366 | G | 29.2 | Very low | 32.8 | Very low | 85 Ų | 85 | 142.1 Ų | 142.1 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | trans | -14.3 | 145.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 367 | G | 31.4 | Very low | 31.9 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 83% | 0.829 | S | S | * | * | trans | 162 | 114.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 368 | C | 31.6 | Very low | 31.4 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 87% | 0.865 | 82% | 0.823 | S | S | * | * | trans | 61.9 | 122.9 | 170.2 | -58.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 369 | L | 31.6 | Very low | 31.4 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | -174 | 120.8 | 108.5 | -96 | 173.2 | 0 | 0 | 0 | 109.4 | |||||
| 370 | A | 29.6 | Very low | 30.8 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 127.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 371 | S | 28.5 | Very low | 30.6 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 159.7 | -175.1 | -162.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 372 | R | 34.6 | Very low | 30.5 | Very low | 239 Ų | 239 | 133.9 Ų | 133.9 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -86 | 144 | -177.5 | -66.2 | 179.6 | 175.6 | -176.1 | -1 | 111.3 | ||
| 373 | V | 34.1 | Very low | 30.6 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 89% | 0.885 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 131.3 | 171.6 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 374 | A | 29.7 | Very low | 30.7 | Very low | 93 Ų | 93 | 135 Ų | 135 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -82 | 147.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 375 | S | 32.7 | Very low | 30.8 | Very low | 116 Ų | 116 | 135 Ų | 135 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 145.4 | 174.2 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 376 | C | 25.1 | Very low | 30.6 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 86% | 0.858 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 154.7 | 174.5 | -53.8 | 0 | 0 | 0 | 0 | 112.2 | ||
| 377 | S | 28 | Very low | 30.6 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -118.7 | 161.2 | 176.9 | -61.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 378 | C | 28 | Very low | 30.9 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | 169.7 | 140.9 | 160.5 | -95.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 379 | E | 38 | Very low | 30.6 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 70% | 0.696 | 82% | 0.815 | S | S | * | * | cis | -147.7 | 163.2 | 24.1 | -90.4 | -59.5 | 82.6 | 0 | 0 | 114 | ||||
| 380 | L | 29.1 | Very low | 31.4 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 72% | 0.723 | 81% | 0.808 | S | S | * | * | trans | 66.1 | 91.2 | 144.8 | -70.4 | 163.5 | 0 | 0 | 0 | 123.9 | ||||
| 381 | L | 32.7 | Very low | 32.2 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 80% | 0.801 | 81% | 0.805 | S | S | * | * | 34.8 | 122 | 121.7 | -59.4 | 176.4 | 0 | 0 | 0 | 122.6 | |||||
| 382 | T | 30.3 | Very low | 32.1 | Very low | 156 Ų | 156 | 142 Ų | 142 | 96% | 0.957 | 80% | 0.803 | S | S | * | * | -159.5 | 170.6 | 114.5 | 7.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 383 | D | 29.9 | Very low | 31.8 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | -113.3 | 166.6 | -156.8 | -159 | -0.8 | 0 | 0 | 0 | 114.9 | ||||
| 384 | A | 30 | Very low | 31.5 | Very low | 75 Ų | 75 | 137 Ų | 137 | 62% | 0.62 | 79% | 0.79 | S | S | * | * | trans | 83 | 102.9 | 156.8 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 385 | V | 31.5 | Very low | 31.4 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | 82.2 | 122 | 123.9 | 177 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 386 | D | 27.6 | Very low | 31.3 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | 75.9 | 154.4 | 152.2 | -87.2 | -44.2 | 0 | 0 | 0 | 125.8 | ||||
| 387 | L | 28.1 | Very low | 31.3 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | trans | -103.3 | 176.5 | -177.8 | -116.7 | 68.1 | 0 | 0 | 0 | 111.2 | ||||
| 388 | P | 38.7 | Very low | 31.4 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | cis | -134.8 | -170.6 | -7.7 | 35.5 | -13.8 | 0 | 0 | 0 | 115.5 | ||||
| 389 | R | 25.3 | Very low | 31.5 | Very low | 234 Ų | 234 | 136.5 Ų | 136.5 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -51.7 | 163.6 | 166.5 | -91.4 | -176 | 167.7 | 103.9 | -4.9 | 113.9 | ||||
| 390 | P | 48.4 | Very low | 31.2 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | cis | -132.3 | -145.2 | 23.7 | 43.9 | -23.8 | 0 | 0 | 0 | 111.9 | ||||
| 391 | P | 46.1 | Very low | 31.1 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | cis | -132.3 | -92 | -11.9 | 34.5 | -10.4 | 0 | 0 | 0 | 116.6 | ||||
| 392 | E | 26.9 | Very low | 30.9 | Very low | 174 Ų | 174 | 132 Ų | 132 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -136.6 | 165.9 | -165 | -61.8 | 177 | 105.7 | 0 | 0 | 109 | ||||
| 393 | M | 28.7 | Very low | 31.3 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 80% | 0.803 | 79% | 0.793 | S | S | * | * | cis | -173.8 | 160.1 | 47.8 | -163.9 | -175.5 | -168.2 | 0 | 0 | 112.3 | ||||
| 394 | T | 27.8 | Very low | 31.3 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 71% | 0.712 | 79% | 0.794 | S | S | * | * | trans | 60 | 105.6 | 158.1 | 33.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 395 | A | 27.5 | Very low | 31.4 | Very low | 90 Ų | 90 | 133.9 Ų | 133.9 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | 34.3 | 124.6 | 122.8 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 396 | T | 28.7 | Very low | 31.4 | Very low | 152 Ų | 152 | 139.7 Ų | 139.7 | 93% | 0.933 | 81% | 0.811 | S | S | * | * | -161.9 | 159.5 | 109.9 | 13 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 397 | G | 25.7 | Very low | 31.5 | Very low | 83 Ų | 83 | 135.4 Ų | 135.4 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -102.6 | 160.1 | -171 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 398 | A | 31 | Very low | 31.6 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | -135.4 | 121.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 399 | V | 29.2 | Very low | 31.2 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -82.5 | 126 | 168.4 | 169.7 | 0 | 0 | 0 | 0 | 108.2 | T401 | V399-T401 HydrophobicContact CG1-CG2 3.97Š| ||
| 400 | V | 31.9 | Very low | 31.4 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | trans | -125 | 119.4 | 164.8 | -179.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 401 | T | 27.2 | Very low | 30.7 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 71% | 0.712 | 81% | 0.805 | S | S | * | * | trans | -102.4 | 155.8 | -179.6 | 44.2 | 0 | 0 | 0 | 0 | 111.8 | V399 | V399-T401 HydrophobicContact CG1-CG2 3.97Š| ||
| 402 | A | 27.7 | Very low | 30.1 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | trans | 72.6 | 164 | 163.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 403 | P | 40 | Very low | 30.6 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | cis | -116.7 | 172.3 | -5.7 | 24.3 | -3.1 | 0 | 0 | 0 | 114.4 | ||||
| 404 | H | 30.3 | Very low | 31.3 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | -75.4 | 143.2 | 169.2 | -66.3 | 59.7 | 0 | 0 | 0 | 110.6 | ||||
| 405 | S | 30.5 | Very low | 32.7 | Very low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | -126.8 | 121.3 | 150.9 | 51.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 406 | R | 32.8 | Very low | 34.9 | Very low | 252 Ų | 252 | 131.4 Ų | 131.4 | 95% | 0.951 | 76% | 0.757 | S | S | * | * | trans | -58.9 | 141.7 | 152 | -72.6 | 170.7 | 166.5 | 163.4 | -7.9 | 106.3 | ||||
| 407 | G | 28.6 | Very low | 37.7 | Very low | 65 Ų | 65 | 127.7 Ų | 127.7 | 67% | 0.67 | 73% | 0.729 | S | S | * | * | cis | 120.6 | 112.7 | 22.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 408 | R | 30.7 | Very low | 40.8 | Very low | 243 Ų | 243 | 125 Ų | 125 | 92% | 0.917 | 70% | 0.696 | S | S | * | * | trans | -129.5 | 103.6 | 167.5 | -82.5 | -173.3 | 66.9 | -166.9 | 0 | 107.2 | A410 | R408-A410 PolarHBondContact O-N 3.39Š| ||
| 409 | D | 30.8 | Very low | 43.7 | Very low | 155 Ų | 155 | 123.6 Ų | 123.6 | 83% | 0.829 | 68% | 0.679 | S | S | * | * | trans | -61.4 | 102.5 | 169.2 | -62.9 | -81.9 | 0 | 0 | 0 | 109.4 | V411 | D409-V411 PolarHBondContact O-N 3.36Š| ||
| 410 | A | 29.6 | Very low | 46.6 | Very low | 95 Ų | 95 | 117.1 Ų | 117.1 | 79% | 0.785 | 64% | 0.64 | S | S | * | * | trans | -76.4 | 96.6 | 157.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | R408 R412 | R408-A410 PolarHBondContact O-N 3.39Å; A410-R412 PolarHBondContact O-N 3.49Å | ||
| 411 | V | 32.8 | Very low | 49.2 | Very low | 115 Ų | 115 | 115.5 Ų | 115.5 | 70% | 0.697 | 62% | 0.623 | S | S | * | * | trans | -51.1 | 108.6 | -179.2 | 176.3 | 0 | 0 | 0 | 0 | 109.2 | D409 E413 | D409-V411 PolarHBondContact O-N 3.36Å; V411-E413 PolarHBondContact O-N 2.81Å | ||
| 412 | R | 34 | Very low | 52 | Low | 239 Ų | 239 | 113.5 Ų | 113.5 | 90% | 0.902 | 61% | 0.611 | S | S | * | * | trans | -79.2 | 73.2 | 176 | -168.9 | -177.7 | -171.9 | 176.9 | 3.6 | 108.4 | A410 S414 | A410-R412 PolarHBondContact O-N 3.49Å; R412-S414 PolarHBondContact O-N 2.74Å | ||
| 413 | E | 37.6 | Very low | 54.8 | Low | 107 Ų | 107 | 110.3 Ų | 110.3 | 50% | 0.5 | 58% | 0.579 | S | S | . | * | trans | -51.7 | 103.2 | 176 | -164.3 | 64.8 | -120.5 | 0 | 0 | 109 | V411 L415 Q563 | V411-E413 PolarHBondContact O-N 2.81Å; E413-L415 HydrophobicContact CG-CD2 4.34Å; E413-L415 PolarHBondContact O-N 2.8Å; E413-Q563 PolarHBondContact OE1-NE2 3.23Å | ||
| 414 | S | 42.3 | Very low | 57 | Low | 95 Ų | 95 | 105.1 Ų | 105.1 | 66% | 0.664 | 55% | 0.545 | S | S | * | . | trans | -80.5 | 77.2 | -172.6 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | R412 I416 | R412-S414 PolarHBondContact O-N 2.74Å; S414-I416 VanDerWaalsContact O-CG1 3.29Å; S414-I416 WeakPolarHBondContact O-CG1 3.48Å; S414-I416 PolarHBondContact O-N 3.45Å | ||
| 415 | L | 57.4 | Low | 59.3 | Low | 50 Ų | 50 | 100.6 Ų | 100.6 | 26% | 0.262 | 52% | 0.524 | S | S | . | . | trans | -49.8 | 105.5 | 178.7 | -66.4 | 179.9 | 0 | 0 | 0 | 110.4 | E413 H417 L475 A478 V560 | E413-L415 HydrophobicContact CG-CD2 4.34Å; E413-L415 PolarHBondContact O-N 2.8Å; L415-H417 PolarHBondContact O-N 3.42Å; L415-L475 HydrophobicContact CD1-CD2 3.66Å; L415-L475 HydrophobicContact CD2-CD2 3.67Å; L415-L475 HydrophobicContact CG-CD2 4.34Å; L415-A478 HydrophobicContact CD1-CB 4Å; L415-V560 HydrophobicContact CB-CG1 4.4Å; L415-V560 HydrophobicContact CD2-CG1 4.3Å | ||
| 416 | I | 74.6 | Confident | 61.6 | Low | 99 Ų | 99 | 99.8 Ų | 99.8 | 51% | 0.508 | 52% | 0.515 | S | S | . | . | trans | -75.4 | 97.1 | -175.6 | -51.5 | -178.6 | 0 | 0 | 0 | 107.7 | S414 V418 R561 | S414-I416 VanDerWaalsContact O-CG1 3.29Å; S414-I416 WeakPolarHBondContact O-CG1 3.48Å; S414-I416 PolarHBondContact O-N 3.45Å; I416-V418 HydrophobicContact CG2-CG2 3.87Å; I416-V418 PolarHBondContact O-N 2.9Å; I416-R561 HydrophobicContact CB-CB 4.33Å; I416-R561 PolarHBondContact O-N 2.78Å | ||
| 417 | H | 87.3 | Confident | 63.4 | Low | 73 Ų | 73 | 91.7 Ų | 91.7 | 34% | 0.338 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 114.6 | 168.4 | -53 | 143.4 | 0 | 0 | 0 | 108.5 | L415 N483 L486 Y559 | L415-H417 PolarHBondContact O-N 3.42Å; H417-N483 PolarHBondContact CE1-ND2 2.88Å; H417-L486 HydrophobicContact CB-CD1 4.2Å; H417-Y559 WeakPolarHBondContact CA-O 3.14Å |
| 418 | V | 90.4 | Very high | 64.8 | Low | 27 Ų | 27 | 93.7 Ų | 93.7 | 16% | 0.164 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131 | -179.4 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | I416 L420 S558 Y559 R561 | I416-V418 HydrophobicContact CG2-CG2 3.87Å; I416-V418 PolarHBondContact O-N 2.9Å; V418-L420 PolarHBondContact O-N 2.95Å; V418-S558 CarbonylContact O-C 3.56Å; V418-S558 WeakPolarHBondContact O-CA 3.44Å; V418-S558 WeakPolarHBondContact O-CB 3.07Å; V418-Y559 HydrophobicContact CB-CD1 4.27Å; V418-Y559 HydrophobicContact CB-CD2 4.36Å; V418-Y559 HydrophobicContact CB-CE1 3.76Å; V418-Y559 HydrophobicContact CB-CE2 3.87Å; V418-Y559 HydrophobicContact CG1-CE1 3.84Å; V418-Y559 HydrophobicContact CG1-CE2 4.45Å; V418-Y559 WeakPolarHBondContact CG1-OH 3.26Å; V418-Y559 HydrophobicContact CG2-CE2 4.11Å; V418-Y559 PolarHBondContact N-O 3.15Å; V418-Y559 WeakPolarHBondContact O-CD1 3.08Å; V418-Y559 PolarHBondContact O-N 2.8Å; V418-R561 HydrophobicContact CG2-CB 4.2Å |
| 419 | P | 92.1 | Very high | 65.3 | Low | 67 Ų | 67 | 86.5 Ų | 86.5 | 44% | 0.435 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 136 | 172.8 | -23.2 | 34 | 0 | 0 | 0 | 111.5 | E421 | P419-E421 VanDerWaalsContact C-N 3.32Å; P419-E421 PolarHBondContact O-N 3.39Å |
| 420 | L | 89.6 | Confident | 66.2 | Low | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -66.2 | -38.8 | 179.6 | 176.3 | 56 | 0 | 0 | 0 | 111 | V418 T422 F423 L424 F487 L536 H540 L556 R557 | V418-L420 PolarHBondContact O-N 2.95Å; L420-T422 VanDerWaalsContact C-N 3.34Å; L420-T422 PolarHBondContact O-N 3.18Å; L420-F423 HydrophobicContact CD1-CD1 4.36Å; L420-F423 WeakPolarHBondContact O-CB 3.32Å; L420-F423 PolarHBondContact O-N 2.87Å; L420-F423 VanDerWaalsContact O-N 3.08Å; L420-L424 HydrophobicContact CD1-CD1 4.41Å; L420-L424 HydrophobicContact CD1-CD2 4.32Å; L420-L424 HydrophobicContact CD1-CG 4.09Å; L420-L424 HydrophobicContact CD2-CD1 4.49Å; L420-L424 HydrophobicContact CG-CD1 3.99Å; L420-L424 HydrophobicContact CG-CG 4.16Å; L420-L424 WeakPolarHBondContact O-CG 3.21Å; L420-L424 PolarHBondContact O-N 3.45Å; L420-F487 HydrophobicContact CB-CE1 4.36Å; L420-F487 HydrophobicContact CD1-CE1 4.36Å; L420-F487 HydrophobicContact CD1-CZ 4.07Å; L420-F487 HydrophobicContact CD2-CE1 3.88Å; L420-F487 HydrophobicContact CD2-CZ 4.17Å; L420-F487 HydrophobicContact CG-CE1 4.43Å; L420-L536 HydrophobicContact CD2-CB 4.42Å; L420-H540 HydrophobicContact CD2-CB 3.96Å; L420-L556 HydrophobicContact CD2-CB 3.84Å; L420-R557 PolarHBondContact N-O 2.89Å |
| 421 | E | 87.3 | Confident | 66.6 | Low | 103 Ų | 103 | 84.8 Ų | 84.8 | 48% | 0.481 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -52 | -46.9 | 177.5 | -179.9 | 171.3 | -159.7 | 0 | 0 | 113.1 | P419 F423 L424 Q425 | P419-E421 VanDerWaalsContact C-N 3.32Å; P419-E421 PolarHBondContact O-N 3.39Å; E421-F423 VanDerWaalsContact C-N 3.25Å; E421-F423 PolarHBondContact O-N 2.86Å; E421-L424 PolarHBondContact O-N 3.06Å; E421-L424 VanDerWaalsContact O-N 3.08Å; E421-Q425 HydrophobicContact CG-CG 4.16Å; E421-Q425 VanDerWaalsContact CG-NE2 3.29Å; E421-Q425 WeakPolarHBondContact O-CB 3.47Å; E421-Q425 WeakPolarHBondContact O-CG 3.42Å; E421-Q425 PolarHBondContact O-N 2.94Å; E421-Q425 PolarHBondContact OE1-NE2 2.9Å |
| 422 | T | 85.5 | Confident | 66.5 | Low | 73 Ų | 73 | 83.1 Ų | 83.1 | 45% | 0.448 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.3 | -36.7 | 179.2 | -48.8 | 0 | 0 | 0 | 0 | 112.3 | L420 T426 | L420-T422 VanDerWaalsContact C-N 3.34Å; L420-T422 PolarHBondContact O-N 3.18Å; T422-T426 PolarHBondContact O-N 2.92Å; T422-T426 PolarHBondContact O-OG1 2.85Å |
| 423 | F | 87 | Confident | 66.9 | Low | 27 Ų | 27 | 77.9 Ų | 77.9 | 12% | 0.118 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -71.2 | -41.6 | 175 | 176.9 | -98.2 | 0 | 0 | 0 | 111.9 | L420 E421 T426 L427 Y460 P461 W462 L533 Y559 | L420-F423 HydrophobicContact CD1-CD1 4.36Å; L420-F423 WeakPolarHBondContact O-CB 3.32Å; L420-F423 PolarHBondContact O-N 2.87Å; L420-F423 VanDerWaalsContact O-N 3.08Å; E421-F423 VanDerWaalsContact C-N 3.25Å; E421-F423 PolarHBondContact O-N 2.86Å; F423-T426 PolarHBondContact O-N 2.94Å; F423-L427 HydrophobicContact CD1-CD1 4.24Å; F423-L427 HydrophobicContact CE1-CD1 3.53Å; F423-L427 HydrophobicContact CE2-CD1 4.36Å; F423-L427 HydrophobicContact CZ-CD1 3.6Å; F423-L427 HydrophobicContact CZ-CG 4.4Å; F423-L427 PolarHBondContact O-N 2.84Å; F423-Y460 HydrophobicContact CE1-CD1 4.41Å; F423-Y460 AromaticContact CZ-CD1 3.74Å; F423-Y460 HydrophobicContact CZ-CD1 3.74Å; F423-Y460 HydrophobicContact CZ-CE1 4.11Å; F423-P461 HydrophobicContact CD2-CG 3.99Å; F423-P461 HydrophobicContact CE2-CG 3.85Å; F423-W462 AromaticContact CD1-NE1 3.91Å; F423-W462 AromaticContact CE1-CD1 3.9Å; F423-W462 AromaticContact CE1-NE1 3.26Å; F423-W462 VanDerWaalsContact CE1-NE1 3.26Å; F423-W462 AromaticContact CZ-NE1 3.58Å; F423-L533 HydrophobicContact CE1-CD1 3.97Å; F423-Y559 HydrophobicContact CB-CE1 3.86Å; F423-Y559 HydrophobicContact CG-CE1 4.34Å |
| 424 | L | 85.1 | Confident | 66.5 | Low | 12 Ų | 12 | 76.2 Ų | 76.2 | 6% | 0.063 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 177.8 | -63.4 | 178.8 | 0 | 0 | 0 | 112 | L420 E421 T426 L427 E428 L533 R537 H540 | L420-L424 HydrophobicContact CD1-CD1 4.41Å; L420-L424 HydrophobicContact CD1-CD2 4.32Å; L420-L424 HydrophobicContact CD1-CG 4.09Å; L420-L424 HydrophobicContact CD2-CD1 4.49Å; L420-L424 HydrophobicContact CG-CD1 3.99Å; L420-L424 HydrophobicContact CG-CG 4.16Å; L420-L424 WeakPolarHBondContact O-CG 3.21Å; L420-L424 PolarHBondContact O-N 3.45Å; E421-L424 PolarHBondContact O-N 3.06Å; E421-L424 VanDerWaalsContact O-N 3.08Å; L424-T426 VanDerWaalsContact C-N 3.28Å; L424-T426 PolarHBondContact O-N 3.26Å; L424-L427 PolarHBondContact O-N 3.19Å; L424-L427 VanDerWaalsContact O-N 3.09Å; L424-E428 WeakPolarHBondContact O-CG 3.39Å; L424-E428 PolarHBondContact O-N 2.81Å; L424-L533 HydrophobicContact CD2-CD1 3.65Å; L424-R537 HydrophobicContact CD1-CG 4.15Å; L424-R537 HydrophobicContact CD2-CG 3.76Å; L424-H540 HydrophobicContact CD1-CB 4.25Å |
| 425 | Q | 79.1 | Confident | 66.2 | Low | 99 Ų | 99 | 76 Ų | 76 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.7 | -36 | 176.3 | -70.6 | 173.7 | -6.8 | 0 | 0 | 112.7 | E421 L427 E428 S429 | E421-Q425 HydrophobicContact CG-CG 4.16Å; E421-Q425 VanDerWaalsContact CG-NE2 3.29Å; E421-Q425 WeakPolarHBondContact O-CB 3.47Å; E421-Q425 WeakPolarHBondContact O-CG 3.42Å; E421-Q425 PolarHBondContact O-N 2.94Å; E421-Q425 PolarHBondContact OE1-NE2 2.9Å; Q425-L427 VanDerWaalsContact C-N 3.27Å; Q425-L427 PolarHBondContact O-N 3.02Å; Q425-E428 PolarHBondContact O-N 3.36Å; Q425-S429 PolarHBondContact O-N 2.84Å; Q425-S429 PolarHBondContact O-OG 3.22Å; Q425-S429 VanDerWaalsContact O-OG 3.13Å |
| 426 | T | 78.5 | Confident | 65.1 | Low | 100 Ų | 100 | 81.8 Ų | 81.8 | 61% | 0.613 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.2 | -33.5 | 176.7 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | T422 F423 L424 | T422-T426 PolarHBondContact O-N 2.92Å; T422-T426 PolarHBondContact O-OG1 2.85Å; F423-T426 PolarHBondContact O-N 2.94Å; L424-T426 VanDerWaalsContact C-N 3.28Å; L424-T426 PolarHBondContact O-N 3.26Å |
| 427 | L | 71.6 | Confident | 63.6 | Low | 81 Ų | 81 | 81.9 Ų | 81.9 | 42% | 0.424 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -6 | 178.7 | -63.6 | 176.8 | 0 | 0 | 0 | 114 | F423 L424 Q425 L533 | F423-L427 HydrophobicContact CD1-CD1 4.24Å; F423-L427 HydrophobicContact CE1-CD1 3.53Å; F423-L427 HydrophobicContact CE2-CD1 4.36Å; F423-L427 HydrophobicContact CZ-CD1 3.6Å; F423-L427 HydrophobicContact CZ-CG 4.4Å; F423-L427 PolarHBondContact O-N 2.84Å; L424-L427 PolarHBondContact O-N 3.19Å; L424-L427 VanDerWaalsContact O-N 3.09Å; Q425-L427 VanDerWaalsContact C-N 3.27Å; Q425-L427 PolarHBondContact O-N 3.02Å; L427-L533 HydrophobicContact CD1-CD1 3.63Å; L427-L533 HydrophobicContact CD1-CD2 3.71Å; L427-L533 HydrophobicContact CD1-CG 4.35Å |
| 428 | E | 57.4 | Low | 61.3 | Low | 107 Ų | 107 | 85.2 Ų | 85.2 | 50% | 0.5 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 0.2 | -174.3 | -74.8 | 166.9 | -161.3 | 0 | 0 | 113.2 | L424 Q425 P430 R537 | L424-E428 WeakPolarHBondContact O-CG 3.39Å; L424-E428 PolarHBondContact O-N 2.81Å; Q425-E428 PolarHBondContact O-N 3.36Å; E428-P430 VanDerWaalsContact O-CD 3.32Å; E428-P430 WeakPolarHBondContact O-CD 3.37Å; E428-R537 IonicContact OE1-CZ 2.96Å; E428-R537 IonicContact OE1-NE 2.74Å; E428-R537 PolarHBondContact OE1-NE 3.14Å; E428-R537 IonicContact OE1-NH2 3.39Å; E428-R537 PolarHBondContact OE1-NH2 2.84Å |
| 429 | S | 42 | Very low | 58.8 | Low | 92 Ų | 92 | 91 Ų | 91 | 64% | 0.643 | 58% | 0.579 | S | S | * | * | trans | -85.3 | 110.8 | 178.1 | -64.9 | 0 | 0 | 0 | 0 | 111.8 | Q425 G431 | Q425-S429 PolarHBondContact O-N 2.84Å; Q425-S429 PolarHBondContact O-OG 3.22Å; Q425-S429 VanDerWaalsContact O-OG 3.13Å; S429-G431 PolarHBondContact O-N 2.61Å | ||
| 430 | P | 49.4 | Very low | 56 | Low | 133 Ų | 133 | 94.2 Ų | 94.2 | 86% | 0.864 | 60% | 0.598 | S | S | * | * | trans | -94.9 | 99.2 | -174.2 | 34.4 | -27.2 | 0 | 0 | 0 | 111.8 | E428 | E428-P430 VanDerWaalsContact O-CD 3.32Å; E428-P430 WeakPolarHBondContact O-CD 3.37Å | ||
| 431 | G | 37.3 | Very low | 53.6 | Low | 81 Ų | 81 | 97.6 Ų | 97.6 | 84% | 0.835 | 63% | 0.633 | S | S | * | * | trans | 112.3 | 113.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S429 | S429-G431 PolarHBondContact O-N 2.61Š| ||
| 432 | G | 31 | Very low | 51.1 | Low | 80 Ų | 80 | 102.2 Ų | 102.2 | 83% | 0.825 | 66% | 0.655 | S | S | * | * | trans | -158.3 | 66.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 433 | S | 41.7 | Very low | 49 | Very low | 130 Ų | 130 | 108 Ų | 108 | 91% | 0.909 | 68% | 0.677 | S | S | * | * | trans | -66.2 | 132.8 | -177.4 | -171.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 434 | G | 30.8 | Very low | 46.6 | Very low | 71 Ų | 71 | 110.6 Ų | 110.6 | 73% | 0.732 | 71% | 0.711 | S | S | * | * | trans | -154.6 | 30.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | D436 | G434-D436 PolarHBondContact O-N 3.01Š| ||
| 435 | S | 34.6 | Very low | 44.3 | Very low | 92 Ų | 92 | 114.8 Ų | 114.8 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | trans | -94.3 | 81.5 | 176.5 | -166.3 | 0 | 0 | 0 | 0 | 111.3 | S437 | S435-S437 PolarHBondContact O-N 3.21Å; S435-S437 PolarHBondContact OG-OG 3.18Å | ||
| 436 | D | 34.4 | Very low | 42.3 | Very low | 170 Ų | 170 | 119.7 Ų | 119.7 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | trans | -77.6 | 74.6 | 169.1 | -76.9 | -35.6 | 0 | 0 | 0 | 110.4 | G434 | G434-D436 PolarHBondContact O-N 3.01Š| ||
| 437 | S | 44.5 | Very low | 40.4 | Very low | 101 Ų | 101 | 121.4 Ų | 121.4 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -87.3 | 122.7 | 172.9 | -63.3 | 0 | 0 | 0 | 0 | 110.4 | S435 | S435-S437 PolarHBondContact O-N 3.21Å; S435-S437 PolarHBondContact OG-OG 3.18Å | ||
| 438 | N | 38.7 | Very low | 38.6 | Very low | 143 Ų | 143 | 124 Ų | 124 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | trans | -143.8 | 109.8 | 178.7 | -143.5 | -3.8 | 0 | 0 | 0 | 111.1 | ||||
| 439 | N | 37.1 | Very low | 38.2 | Very low | 148 Ų | 148 | 124.7 Ų | 124.7 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | 63.8 | 148.4 | 179.5 | -58.6 | -30 | 0 | 0 | 0 | 116.3 | ||||
| 440 | T | 33.8 | Very low | 38 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | cis | -136.4 | 152.4 | -1.8 | -34.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 441 | G | 38.5 | Very low | 37.5 | Very low | 71 Ų | 71 | 126.8 Ų | 126.8 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | -96.5 | 154.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 442 | E | 35.1 | Very low | 37.4 | Very low | 200 Ų | 200 | 130 Ų | 130 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | trans | -149.2 | 175.5 | 159.2 | -121.4 | 173.6 | 158.7 | 0 | 0 | 109.4 | ||||
| 443 | E | 41.3 | Very low | 37.9 | Very low | 195 Ų | 195 | 131.4 Ų | 131.4 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -84.1 | 146.8 | -154.1 | -60.7 | -177.8 | 98.6 | 0 | 0 | 117.3 | ||||
| 444 | G | 37 | Very low | 38 | Very low | 80 Ų | 80 | 133.6 Ų | 133.6 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | 76.7 | 94.7 | 123 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 445 | A | 37.3 | Very low | 39.2 | Very low | 101 Ų | 101 | 135 Ų | 135 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | -143.4 | 143.5 | 148.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 446 | E | 36.7 | Very low | 40.9 | Very low | 202 Ų | 202 | 136.5 Ų | 136.5 | 94% | 0.944 | 78% | 0.783 | S | S | * | * | trans | -80 | 154.1 | -173.5 | -60.3 | -166 | 111.2 | 0 | 0 | 112.8 | ||||
| 447 | T | 38.1 | Very low | 43.2 | Very low | 136 Ų | 136 | 129.1 Ų | 129.1 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | trans | -90.3 | 114.5 | -174.9 | -39.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 448 | D | 34.8 | Very low | 45 | Very low | 135 Ų | 135 | 128.3 Ų | 128.3 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | -90.3 | 118.1 | 169.1 | -174.9 | 13.1 | 0 | 0 | 0 | 110.2 | ||||
| 449 | P | 48.7 | Very low | 47.2 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | trans | -99.6 | 27.2 | -173.5 | 40 | -35.7 | 0 | 0 | 0 | 114.3 | ||||
| 450 | E | 38.2 | Very low | 49.6 | Very low | 180 Ų | 180 | 124.5 Ų | 124.5 | 84% | 0.841 | 71% | 0.711 | S | S | * | * | trans | -113.3 | 34.8 | 179.2 | -153.9 | 161.3 | 111.2 | 0 | 0 | 114.7 | ||||
| 451 | A | 37.8 | Very low | 52.3 | Low | 89 Ų | 89 | 119.6 Ų | 119.6 | 74% | 0.736 | 68% | 0.682 | S | S | * | * | trans | -89.9 | 98.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 452 | E | 35.9 | Very low | 54.9 | Low | 150 Ų | 150 | 116.3 Ų | 116.3 | 70% | 0.701 | 65% | 0.647 | S | S | * | * | trans | -56.7 | 134.4 | 157.7 | -70.8 | -157.3 | 137.6 | 0 | 0 | 107.6 | E454 | E452-E454 VanDerWaalsContact C-N 3.3Å; E452-E454 PolarHBondContact O-N 2.88Å | ||
| 453 | P | 40.9 | Very low | 57.7 | Low | 108 Ų | 108 | 107.6 Ų | 107.6 | 70% | 0.701 | 61% | 0.606 | S | S | * | * | trans | -70.3 | 90.8 | 178.9 | 28.3 | -33.6 | 0 | 0 | 0 | 109.1 | L455 | P453-L455 PolarHBondContact O-N 3.39Å; P453-L455 VanDerWaalsContact O-N 3.09Å | ||
| 454 | E | 43.6 | Very low | 60.2 | Low | 177 Ų | 177 | 100 Ų | 100 | 83% | 0.827 | 57% | 0.571 | S | S | * | * | trans | -52.1 | 119.6 | 164.9 | -76.7 | -155.3 | 113.1 | 0 | 0 | 107.4 | E452 E456 | E452-E454 VanDerWaalsContact C-N 3.3Å; E452-E454 PolarHBondContact O-N 2.88Å; E454-E456 VanDerWaalsContact C-N 3.34Å; E454-E456 PolarHBondContact O-N 3.19Å | ||
| 455 | L | 57.3 | Low | 62.8 | Low | 99 Ų | 99 | 97.3 Ų | 97.3 | 52% | 0.518 | 54% | 0.543 | S | S | . | . | trans | -78.8 | 90.7 | -170.5 | -71.9 | 162.1 | 0 | 0 | 0 | 109 | P453 L457 | P453-L455 PolarHBondContact O-N 3.39Å; P453-L455 VanDerWaalsContact O-N 3.09Å; L455-L457 PolarHBondContact O-N 2.93Å | ||
| 456 | E | 70.3 | Confident | 65.3 | Low | 124 Ų | 124 | 97.1 Ų | 97.1 | 58% | 0.579 | 53% | 0.532 | S | S | * | . | trans | -66.2 | 74.3 | -179.2 | -62.2 | -159.1 | 106.1 | 0 | 0 | 111.6 | E454 S458 D459 | E454-E456 VanDerWaalsContact C-N 3.34Å; E454-E456 PolarHBondContact O-N 3.19Å; E456-S458 PolarHBondContact O-N 2.56Å; E456-D459 PolarHBondContact O-N 3.49Å; E456-D459 VanDerWaalsContact O-N 3.09Å | ||
| 457 | L | 82.2 | Confident | 68 | Low | 16 Ų | 16 | 88.1 Ų | 88.1 | 8% | 0.084 | 49% | 0.49 | C | S | . | . | G | 310 helix | trans | -54.1 | -22.6 | 167.3 | -69.2 | 166.5 | 0 | 0 | 0 | 111.3 | L455 D459 Y460 W462 F463 Y499 L516 V532 | L455-L457 PolarHBondContact O-N 2.93Å; L457-D459 PolarHBondContact O-N 2.82Å; L457-Y460 WeakPolarHBondContact O-CB 3.48Å; L457-Y460 PolarHBondContact O-N 3.48Å; L457-W462 HydrophobicContact CD2-CH2 3.75Å; L457-W462 HydrophobicContact CD2-CZ3 4.17Å; L457-F463 HydrophobicContact CB-CD1 3.99Å; L457-F463 HydrophobicContact CB-CD2 4.3Å; L457-F463 HydrophobicContact CB-CE1 4.07Å; L457-F463 HydrophobicContact CB-CE2 4.43Å; L457-F463 HydrophobicContact CB-CG 4.07Å; L457-F463 HydrophobicContact CB-CZ 4.3Å; L457-F463 VanDerWaalsContact O-CB 3.22Å; L457-F463 WeakPolarHBondContact O-CB 3.33Å; L457-F463 WeakPolarHBondContact O-CD1 3.5Å; L457-F463 WeakPolarHBondContact O-CG 3.48Å; L457-Y499 HydrophobicContact CD1-CD1 3.95Å; L457-Y499 HydrophobicContact CD1-CE1 3.46Å; L457-Y499 VanDerWaalsContact CD1-CE1 3.46Å; L457-Y499 HydrophobicContact CD1-CE2 4.4Å; L457-L516 HydrophobicContact CD1-CD1 3.67Å; L457-V532 HydrophobicContact CD2-CB 4.38Å; L457-V532 HydrophobicContact CD2-CG2 4.16Å |
| 458 | S | 82.1 | Confident | 70.6 | Confident | 84 Ų | 84 | 83.7 Ų | 83.7 | 59% | 0.587 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -41 | -41.1 | 167.7 | -53.6 | 0 | 0 | 0 | 0 | 114.2 | E456 Y460 | E456-S458 PolarHBondContact O-N 2.56Å; S458-Y460 VanDerWaalsContact C-N 3.29Å; S458-Y460 PolarHBondContact O-N 2.86Å |
| 459 | D | 84.6 | Confident | 73.3 | Confident | 127 Ų | 127 | 84.5 Ų | 84.5 | 68% | 0.679 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -75.6 | -17.9 | -176.2 | -74.9 | -1.3 | 0 | 0 | 0 | 113.4 | E456 L457 | E456-D459 PolarHBondContact O-N 3.49Å; E456-D459 VanDerWaalsContact O-N 3.09Å; L457-D459 PolarHBondContact O-N 2.82Å |
| 460 | Y | 88.6 | Confident | 75.5 | Confident | 83 Ų | 83 | 83.5 Ų | 83.5 | 33% | 0.325 | 45% | 0.449 | S | S | . | . | trans | -82.7 | 124 | -171.1 | -72.7 | -98.9 | 0 | 0 | 0 | 110.8 | F423 L457 S458 W462 F463 | F423-Y460 HydrophobicContact CE1-CD1 4.41Å; F423-Y460 AromaticContact CZ-CD1 3.74Å; F423-Y460 HydrophobicContact CZ-CD1 3.74Å; F423-Y460 HydrophobicContact CZ-CE1 4.11Å; L457-Y460 WeakPolarHBondContact O-CB 3.48Å; L457-Y460 PolarHBondContact O-N 3.48Å; S458-Y460 VanDerWaalsContact C-N 3.29Å; S458-Y460 PolarHBondContact O-N 2.86Å; Y460-W462 AromaticContact CD1-CE2 3.6Å; Y460-W462 HydrophobicContact CD1-CH2 4.02Å; Y460-W462 AromaticContact CD1-CZ2 3.22Å; Y460-W462 HydrophobicContact CD1-CZ2 3.22Å; Y460-W462 AromaticContact CD1-NE1 3.76Å; Y460-W462 HydrophobicContact CE1-CZ2 4.01Å; Y460-W462 AromaticContact CG-CE2 3.94Å; Y460-W462 AromaticContact CG-CH2 3.9Å; Y460-W462 HydrophobicContact CG-CH2 3.9Å; Y460-W462 AromaticContact CG-CZ2 3.54Å; Y460-W462 HydrophobicContact CG-CZ2 3.54Å; Y460-W462 PolarHBondContact O-N 3.41Å; Y460-F463 WeakPolarHBondContact O-CB 3.29Å; Y460-F463 PolarHBondContact O-N 2.87Å | ||
| 461 | P | 90.2 | Very high | 78.2 | Confident | 34 Ų | 34 | 80.2 Ų | 80.2 | 22% | 0.221 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -3.5 | -170.6 | 30.7 | -38.4 | 0 | 0 | 0 | 114.1 | F423 Y559 R561 A562 | F423-P461 HydrophobicContact CD2-CG 3.99Å; F423-P461 HydrophobicContact CE2-CG 3.85Å; P461-Y559 HydrophobicContact CB-CE2 3.88Å; P461-Y559 HydrophobicContact CG-CE2 3.93Å; P461-Y559 WeakPolarHBondContact O-CD2 3.16Å; P461-Y559 WeakPolarHBondContact O-CE2 3.33Å; P461-R561 HydrophobicContact CB-CG 4.4Å; P461-R561 CarbonylContact O-C 3.58Å; P461-R561 WeakPolarHBondContact O-CA 3.34Å; P461-A562 PolarHBondContact O-N 3.42Å |
| 462 | W | 92.3 | Very high | 80.9 | Confident | 1 Ų | 1 | 76 Ų | 76 | 0% | 0.004 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -4 | 171.5 | 45.3 | -108.1 | 0 | 0 | 0 | 113.9 | F423 L457 Y460 F487 I489 V532 L536 Y559 | F423-W462 AromaticContact CD1-NE1 3.91Å; F423-W462 AromaticContact CE1-CD1 3.9Å; F423-W462 AromaticContact CE1-NE1 3.26Å; F423-W462 VanDerWaalsContact CE1-NE1 3.26Å; F423-W462 AromaticContact CZ-NE1 3.58Å; L457-W462 HydrophobicContact CD2-CH2 3.75Å; L457-W462 HydrophobicContact CD2-CZ3 4.17Å; Y460-W462 AromaticContact CD1-CE2 3.6Å; Y460-W462 HydrophobicContact CD1-CH2 4.02Å; Y460-W462 AromaticContact CD1-CZ2 3.22Å; Y460-W462 HydrophobicContact CD1-CZ2 3.22Å; Y460-W462 AromaticContact CD1-NE1 3.76Å; Y460-W462 HydrophobicContact CE1-CZ2 4.01Å; Y460-W462 AromaticContact CG-CE2 3.94Å; Y460-W462 AromaticContact CG-CH2 3.9Å; Y460-W462 HydrophobicContact CG-CH2 3.9Å; Y460-W462 AromaticContact CG-CZ2 3.54Å; Y460-W462 HydrophobicContact CG-CZ2 3.54Å; Y460-W462 PolarHBondContact O-N 3.41Å; W462-F487 HydrophobicContact CB-CE2 3.97Å; W462-F487 HydrophobicContact CB-CZ 4.42Å; W462-F487 HydrophobicContact CG-CE2 4.36Å; W462-I489 HydrophobicContact CE3-CB 3.87Å; W462-I489 HydrophobicContact CE3-CD1 3.78Å; W462-I489 HydrophobicContact CE3-CG1 4.03Å; W462-I489 HydrophobicContact CH2-CD1 4.39Å; W462-I489 HydrophobicContact CZ3-CB 4.03Å; W462-I489 HydrophobicContact CZ3-CD1 3.67Å; W462-I489 HydrophobicContact CZ3-CG1 4.27Å; W462-I489 HydrophobicContact CZ3-CG2 4.36Å; W462-I489 PolarHBondContact O-N 2.93Å; W462-V532 HydrophobicContact CH2-CB 4.22Å; W462-V532 HydrophobicContact CH2-CG1 3.51Å; W462-V532 HydrophobicContact CZ2-CG1 4.26Å; W462-V532 HydrophobicContact CZ3-CG1 3.99Å; W462-L536 HydrophobicContact CD2-CD1 3.92Å; W462-L536 VanDerWaalsContact CE2-CD1 3.46Å; W462-L536 HydrophobicContact CG-CD1 4.31Å; W462-L536 HydrophobicContact CH2-CD1 4.39Å; W462-L536 HydrophobicContact CZ2-CD1 3.71Å; W462-Y559 HydrophobicContact CB-CD1 4.37Å; W462-Y559 HydrophobicContact CB-CD2 3.69Å; W462-Y559 HydrophobicContact CB-CE2 4.37Å; W462-Y559 HydrophobicContact CB-CG 3.68Å |
| 463 | F | 94.3 | Very high | 83.8 | Confident | 17 Ų | 17 | 69.8 Ų | 69.8 | 8% | 0.075 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -99.8 | 128.3 | 179.6 | 178 | -111.7 | 0 | 0 | 0 | 111.3 | L457 Y460 G465 I489 Y499 A562 | L457-F463 HydrophobicContact CB-CD1 3.99Å; L457-F463 HydrophobicContact CB-CD2 4.3Å; L457-F463 HydrophobicContact CB-CE1 4.07Å; L457-F463 HydrophobicContact CB-CE2 4.43Å; L457-F463 HydrophobicContact CB-CG 4.07Å; L457-F463 HydrophobicContact CB-CZ 4.3Å; L457-F463 VanDerWaalsContact O-CB 3.22Å; L457-F463 WeakPolarHBondContact O-CB 3.33Å; L457-F463 WeakPolarHBondContact O-CD1 3.5Å; L457-F463 WeakPolarHBondContact O-CG 3.48Å; Y460-F463 WeakPolarHBondContact O-CB 3.29Å; Y460-F463 PolarHBondContact O-N 2.87Å; F463-G465 VanDerWaalsContact CZ-CA 3.49Å; F463-I489 WeakPolarHBondContact CA-O 3.46Å; F463-I489 HydrophobicContact CD2-CB 4.47Å; F463-I489 HydrophobicContact CD2-CG2 4.14Å; F463-Y499 AromaticContact CE2-CD1 3.75Å; F463-Y499 HydrophobicContact CE2-CD1 3.75Å; F463-Y499 AromaticContact CE2-CE1 3.71Å; F463-Y499 HydrophobicContact CE2-CE1 3.71Å; F463-Y499 HydrophobicContact CZ-CD1 4.39Å; F463-Y499 AromaticContact CZ-CE1 3.9Å; F463-Y499 HydrophobicContact CZ-CE1 3.9Å; F463-A562 WeakPolarHBondContact O-CB 3.46Å |
| 464 | H | 93.1 | Very high | 86.4 | Confident | 36 Ų | 36 | 70.8 Ų | 70.8 | 17% | 0.167 | 37% | 0.367 | C | S | . | . | trans | -109.8 | 21.3 | -172.7 | -72.2 | -121.4 | 0 | 0 | 0 | 113.3 | L467 V488 I489 V560 A562 | H464-L467 HydrophobicContact CB-CB 3.8Å; H464-L467 HydrophobicContact CB-CD1 4.38Å; H464-L467 HydrophobicContact CB-CD2 3.71Å; H464-L467 HydrophobicContact CB-CG 4.17Å; H464-V488 WeakPolarHBondContact NE2-CG1 3.45Å; H464-I489 PolarHBondContact N-O 3.02Å; H464-V560 PolarHBondContact NE2-O 2.87Å; H464-A562 PolarHBondContact NE2-N 3.22Å | ||
| 465 | G | 91.5 | Very high | 88.8 | Confident | 24 Ų | 24 | 63.4 Ų | 63.4 | 25% | 0.247 | 33% | 0.333 | C | S | . | . | S | Bend | trans | 58.2 | -142.1 | -176 | 0 | 0 | 0 | 0 | 0 | 112.3 | F463 L467 R490 Q491 | F463-G465 VanDerWaalsContact CZ-CA 3.49Å; G465-L467 PolarHBondContact O-N 3.44Å; G465-R490 WeakPolarHBondContact O-CA 3.48Å; G465-Q491 PolarHBondContact O-N 3.36Å |
| 466 | T | 91.4 | Very high | 90.7 | Very high | 97 Ų | 97 | 58.7 Ų | 58.7 | 60% | 0.595 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -75.8 | 87.3 | 167.1 | -68.5 | 0 | 0 | 0 | 0 | 110.2 | Q491 E493 | T466-Q491 PolarHBondContact OG1-OE1 3.3Å; T466-E493 HydrophobicContact CG2-CG 4.33Å |
| 467 | L | 91.7 | Very high | 91.9 | Very high | 13 Ų | 13 | 55.5 Ų | 55.5 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | trans | -100.8 | 140.1 | 172.8 | -171 | 72.3 | 0 | 0 | 0 | 110.3 | H464 G465 K471 A472 L475 V488 R490 | H464-L467 HydrophobicContact CB-CB 3.8Å; H464-L467 HydrophobicContact CB-CD1 4.38Å; H464-L467 HydrophobicContact CB-CD2 3.71Å; H464-L467 HydrophobicContact CB-CG 4.17Å; G465-L467 PolarHBondContact O-N 3.44Å; L467-K471 HydrophobicContact CD1-CB 4.18Å; L467-K471 HydrophobicContact CD1-CD 3.6Å; L467-K471 HydrophobicContact CD1-CG 3.83Å; L467-K471 HydrophobicContact CG-CB 4.43Å; L467-A472 HydrophobicContact CD2-CB 3.72Å; L467-A472 HydrophobicContact CG-CB 4.31Å; L467-L475 HydrophobicContact CD2-CD1 3.85Å; L467-V488 HydrophobicContact CD2-CG2 4.27Å; L467-R490 HydrophobicContact CB-CB 3.78Å; L467-R490 WeakPolarHBondContact O-CD 3.43Å; L467-R490 PolarHBondContact O-NH1 2.84Å | ||
| 468 | S | 93.1 | Very high | 92.1 | Very high | 43 Ų | 43 | 57.9 Ų | 57.9 | 30% | 0.301 | 32% | 0.317 | S | S | . | . | trans | -72.5 | 152.4 | -177.4 | 78.8 | 0 | 0 | 0 | 0 | 114.4 | V470 K471 A472 E493 | S468-V470 PolarHBondContact O-N 2.89Å; S468-K471 PolarHBondContact O-N 3.35Å; S468-K471 VanDerWaalsContact OG-CB 3.26Å; S468-K471 WeakPolarHBondContact OG-CB 3.02Å; S468-K471 PolarHBondContact OG-N 2.86Å; S468-K471 VanDerWaalsContact OG-N 3.08Å; S468-A472 VanDerWaalsContact O-CB 3.23Å; S468-A472 WeakPolarHBondContact O-CB 3.12Å; S468-A472 PolarHBondContact O-N 3.38Å; S468-E493 WeakPolarHBondContact CA-OE1 3.29Å; S468-E493 WeakPolarHBondContact CA-OE2 3.47Å; S468-E493 WeakPolarHBondContact CB-OE1 3.4Å | ||
| 469 | R | 92.3 | Very high | 92.2 | Very high | 152 Ų | 152 | 55.2 Ų | 55.2 | 57% | 0.574 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -53.7 | -41.5 | 175.9 | -173.4 | -177.5 | 173.8 | -173.7 | -6 | 112 | A473 E493 H511 | R469-A473 WeakPolarHBondContact O-CB 3.2Å; R469-A473 PolarHBondContact O-N 3.42Å; R469-A473 VanDerWaalsContact O-N 3.11Å; R469-E493 PolarHBondContact N-OE2 3.13Å; R469-H511 PolarHBondContact NE-CD2 3.25Å; R469-H511 VanDerWaalsContact NE-CD2 3.3Å; R469-H511 PolarHBondContact NE-NE2 3.36Å |
| 470 | V | 94.6 | Very high | 92.4 | Very high | 99 Ų | 99 | 50.2 Ų | 50.2 | 60% | 0.6 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -70.7 | -48.3 | -179.5 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | S468 A472 A473 Q474 | S468-V470 PolarHBondContact O-N 2.89Å; V470-A472 PolarHBondContact O-N 3.42Å; V470-A473 WeakPolarHBondContact O-CB 3.38Å; V470-A473 PolarHBondContact O-N 2.89Å; V470-Q474 WeakPolarHBondContact O-CG 3.28Å; V470-Q474 PolarHBondContact O-N 3.14Å |
| 471 | K | 94.2 | Very high | 92.5 | Very high | 112 Ų | 112 | 50.5 Ų | 50.5 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 179.4 | -169.8 | 173.4 | 169.9 | -173.3 | 0 | 111.5 | L467 S468 A473 Q474 L475 | L467-K471 HydrophobicContact CD1-CB 4.18Å; L467-K471 HydrophobicContact CD1-CD 3.6Å; L467-K471 HydrophobicContact CD1-CG 3.83Å; L467-K471 HydrophobicContact CG-CB 4.43Å; S468-K471 PolarHBondContact O-N 3.35Å; S468-K471 VanDerWaalsContact OG-CB 3.26Å; S468-K471 WeakPolarHBondContact OG-CB 3.02Å; S468-K471 PolarHBondContact OG-N 2.86Å; S468-K471 VanDerWaalsContact OG-N 3.08Å; K471-A473 VanDerWaalsContact C-N 3.34Å; K471-A473 PolarHBondContact O-N 2.97Å; K471-Q474 PolarHBondContact O-N 3.46Å; K471-L475 WeakPolarHBondContact O-CG 3.34Å; K471-L475 PolarHBondContact O-N 3.11Å |
| 472 | A | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.9 | -40 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L467 S468 V470 V476 V488 T502 | L467-A472 HydrophobicContact CD2-CB 3.72Å; L467-A472 HydrophobicContact CG-CB 4.31Å; S468-A472 VanDerWaalsContact O-CB 3.23Å; S468-A472 WeakPolarHBondContact O-CB 3.12Å; S468-A472 PolarHBondContact O-N 3.38Å; V470-A472 PolarHBondContact O-N 3.42Å; A472-V476 PolarHBondContact O-N 3.4Å; A472-V488 HydrophobicContact CB-CG2 3.97Å; A472-T502 HydrophobicContact CB-CG2 3.91Å |
| 473 | A | 96.1 | Very high | 92.4 | Very high | 20 Ų | 20 | 60 Ų | 60 | 17% | 0.165 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R469 V470 K471 L475 V476 L477 A509 | R469-A473 WeakPolarHBondContact O-CB 3.2Å; R469-A473 PolarHBondContact O-N 3.42Å; R469-A473 VanDerWaalsContact O-N 3.11Å; V470-A473 WeakPolarHBondContact O-CB 3.38Å; V470-A473 PolarHBondContact O-N 2.89Å; K471-A473 VanDerWaalsContact C-N 3.34Å; K471-A473 PolarHBondContact O-N 2.97Å; A473-L475 PolarHBondContact O-N 3.24Å; A473-V476 PolarHBondContact O-N 3.21Å; A473-L477 WeakPolarHBondContact O-CB 3.32Å; A473-L477 WeakPolarHBondContact O-CG 3.24Å; A473-L477 PolarHBondContact O-N 2.78Å; A473-A509 HydrophobicContact CB-CB 3.69Å |
| 474 | Q | 95.3 | Very high | 92.4 | Very high | 128 Ų | 128 | 61.2 Ų | 61.2 | 60% | 0.598 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -57.2 | -47.1 | 176.1 | -71.7 | 167.8 | -21.6 | 0 | 0 | 111.9 | V470 K471 L477 A478 | V470-Q474 WeakPolarHBondContact O-CG 3.28Å; V470-Q474 PolarHBondContact O-N 3.14Å; K471-Q474 PolarHBondContact O-N 3.46Å; Q474-L477 PolarHBondContact O-N 3.5Å; Q474-A478 PolarHBondContact O-N 3.23Å; Q474-A478 VanDerWaalsContact O-N 3.14Å |
| 475 | L | 94.9 | Very high | 92.4 | Very high | 22 Ų | 22 | 59.5 Ų | 59.5 | 12% | 0.115 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.9 | -50.5 | 179.4 | -70.1 | -176.6 | 0 | 0 | 0 | 112.4 | L415 L467 K471 A473 L477 V488 V560 | L415-L475 HydrophobicContact CD1-CD2 3.66Å; L415-L475 HydrophobicContact CD2-CD2 3.67Å; L415-L475 HydrophobicContact CG-CD2 4.34Å; L467-L475 HydrophobicContact CD2-CD1 3.85Å; K471-L475 WeakPolarHBondContact O-CG 3.34Å; K471-L475 PolarHBondContact O-N 3.11Å; A473-L475 PolarHBondContact O-N 3.24Å; L475-L477 VanDerWaalsContact C-N 3.3Å; L475-L477 PolarHBondContact O-N 2.78Å; L475-V488 HydrophobicContact CD1-CG1 4.47Å; L475-V560 HydrophobicContact CB-CG2 4.21Å; L475-V560 HydrophobicContact CD1-CG1 4.43Å; L475-V560 HydrophobicContact CD2-CG1 4.46Å |
| 476 | V | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -73.9 | -21.5 | -177.7 | -55 | 0 | 0 | 0 | 0 | 113.1 | A472 A473 L486 V488 T502 N504 A509 | A472-V476 PolarHBondContact O-N 3.4Å; A473-V476 PolarHBondContact O-N 3.21Å; V476-L486 HydrophobicContact CB-CG 4.47Å; V476-V488 HydrophobicContact CG1-CG1 4.38Å; V476-V488 HydrophobicContact CG1-CG2 4.19Å; V476-T502 HydrophobicContact CG2-CG2 4.24Å; V476-N504 HydrophobicContact CB-CB 4.1Å; V476-N504 HydrophobicContact CG2-CB 4.23Å; V476-N504 WeakPolarHBondContact O-CB 3.44Å; V476-N504 PolarHBondContact O-ND2 2.91Å; V476-A509 HydrophobicContact CG2-CB 4.3Å |
| 477 | L | 94.9 | Very high | 93 | Very high | 57 Ų | 57 | 53.7 Ų | 53.7 | 30% | 0.298 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -92 | -4.1 | 179.9 | -66.5 | -179.1 | 0 | 0 | 0 | 114.7 | A473 Q474 L475 G479 G480 G507 A509 | A473-L477 WeakPolarHBondContact O-CB 3.32Å; A473-L477 WeakPolarHBondContact O-CG 3.24Å; A473-L477 PolarHBondContact O-N 2.78Å; Q474-L477 PolarHBondContact O-N 3.5Å; L475-L477 VanDerWaalsContact C-N 3.3Å; L475-L477 PolarHBondContact O-N 2.78Å; L477-G479 PolarHBondContact O-N 2.96Å; L477-G480 PolarHBondContact O-N 3.34Å; L477-G507 VanDerWaalsContact CD2-O 3.28Å; L477-G507 WeakPolarHBondContact CD2-O 3.45Å; L477-A509 HydrophobicContact CD1-CB 4Å; L477-A509 HydrophobicContact CG-CB 4.24Å |
| 478 | A | 87.7 | Confident | 93.2 | Very high | 66 Ų | 66 | 53.1 Ų | 53.1 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -17.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L415 Q474 | L415-A478 HydrophobicContact CD1-CB 4Å; Q474-A478 PolarHBondContact O-N 3.23Å; Q474-A478 VanDerWaalsContact O-N 3.14Å |
| 479 | G | 83.1 | Confident | 93.4 | Very high | 28 Ų | 28 | 51.1 Ų | 51.1 | 29% | 0.289 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 14.3 | 172 | 0 | 0 | 0 | 0 | 0 | 115 | L477 R482 N483 | L477-G479 PolarHBondContact O-N 2.96Å; G479-R482 PolarHBondContact O-N 2.89Å; G479-N483 WeakPolarHBondContact CA-ND2 3.32Å; G479-N483 PolarHBondContact N-ND2 3.39Å |
| 480 | G | 89.9 | Confident | 93.5 | Very high | 23 Ų | 23 | 44.4 Ų | 44.4 | 24% | 0.237 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | 57.6 | -145.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L477 R482 N483 N504 | L477-G480 PolarHBondContact O-N 3.34Å; G480-R482 PolarHBondContact O-N 3.38Å; G480-N483 PolarHBondContact O-N 3.43Å; G480-N504 PolarHBondContact O-ND2 2.72Å |
| 481 | P | 89.8 | Confident | 93.4 | Very high | 89 Ų | 89 | 42.8 Ų | 42.8 | 58% | 0.578 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -61.8 | -20.1 | 179.3 | -24.3 | 34.5 | 0 | 0 | 0 | 115.3 | N483 H484 | P481-N483 PolarHBondContact O-N 3.37Å; P481-H484 WeakPolarHBondContact O-CB 3.4Å; P481-H484 PolarHBondContact O-N 2.7Å |
| 482 | R | 89 | Confident | 93 | Very high | 212 Ų | 212 | 37.8 Ų | 37.8 | 80% | 0.8 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -66.2 | -23 | 177.6 | -63.3 | -173.3 | 68.8 | -108.4 | 0.6 | 112.7 | G479 G480 H484 | G479-R482 PolarHBondContact O-N 2.89Å; G480-R482 PolarHBondContact O-N 3.38Å; R482-H484 VanDerWaalsContact C-N 3.34Å |
| 483 | N | 92.4 | Very high | 92.5 | Very high | 22 Ų | 22 | 42.3 Ų | 42.3 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -95.9 | 25.1 | 177.8 | -67.4 | 15.2 | 0 | 0 | 0 | 112.2 | H417 G479 G480 P481 G485 L486 N504 | H417-N483 PolarHBondContact CE1-ND2 2.88Å; G479-N483 WeakPolarHBondContact CA-ND2 3.32Å; G479-N483 PolarHBondContact N-ND2 3.39Å; G480-N483 PolarHBondContact O-N 3.43Å; P481-N483 PolarHBondContact O-N 3.37Å; N483-G485 PolarHBondContact O-N 2.79Å; N483-L486 HydrophobicContact CB-CB 3.92Å; N483-L486 HydrophobicContact CB-CD2 3.83Å; N483-L486 VanDerWaalsContact ND2-CD2 3.33Å; N483-L486 WeakPolarHBondContact ND2-CD2 3.4Å; N483-L486 WeakPolarHBondContact O-CB 3.11Å; N483-L486 PolarHBondContact O-N 3.19Å; N483-N504 VanDerWaalsContact O-CB 3.29Å; N483-N504 WeakPolarHBondContact O-CB 3.24Å; N483-N504 VanDerWaalsContact O-CG 3.27Å; N483-N504 PolarHBondContact O-ND2 3.27Å |
| 484 | H | 93.7 | Very high | 91.6 | Very high | 42 Ų | 42 | 46.7 Ų | 46.7 | 19% | 0.194 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 126.8 | 171.6 | 176.9 | 114.2 | 0 | 0 | 0 | 110.1 | P481 R482 F505 Q506 I554 | P481-H484 WeakPolarHBondContact O-CB 3.4Å; P481-H484 PolarHBondContact O-N 2.7Å; R482-H484 VanDerWaalsContact C-N 3.34Å; H484-F505 AromaticContact CE1-CD2 3.96Å; H484-Q506 WeakPolarHBondContact ND1-CG 3.48Å; H484-Q506 PolarHBondContact ND1-N 3.04Å; H484-I554 VanDerWaalsContact NE2-CD1 3.27Å; H484-I554 WeakPolarHBondContact NE2-CD1 3.46Å |
| 485 | G | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | -1.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | N483 N504 T555 R557 S558 | N483-G485 PolarHBondContact O-N 2.79Å; G485-N504 PolarHBondContact N-O 2.6Å; G485-T555 VanDerWaalsContact CA-O 3.27Å; G485-T555 WeakPolarHBondContact CA-O 3.48Å; G485-R557 PolarHBondContact O-N 2.9Å; G485-S558 PolarHBondContact O-N 3.1Å |
| 486 | L | 96.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 133 | 169.5 | -179.8 | 62.4 | 0 | 0 | 0 | 110.5 | H417 V476 N483 F503 N504 S558 V560 | H417-L486 HydrophobicContact CB-CD1 4.2Å; V476-L486 HydrophobicContact CB-CG 4.47Å; N483-L486 HydrophobicContact CB-CB 3.92Å; N483-L486 HydrophobicContact CB-CD2 3.83Å; N483-L486 VanDerWaalsContact ND2-CD2 3.33Å; N483-L486 WeakPolarHBondContact ND2-CD2 3.4Å; N483-L486 WeakPolarHBondContact O-CB 3.11Å; N483-L486 PolarHBondContact O-N 3.19Å; L486-F503 CarbonylContact O-C 3.51Å; L486-F503 VanDerWaalsContact O-CA 3.28Å; L486-F503 WeakPolarHBondContact O-CA 3.26Å; L486-N504 HydrophobicContact CB-CB 4.44Å; L486-N504 PolarHBondContact O-N 3.03Å; L486-S558 CarbonylContact C-O 2.99Å; L486-S558 VanDerWaalsContact CA-O 3.26Å; L486-S558 WeakPolarHBondContact CA-O 3.38Å; L486-S558 WeakPolarHBondContact CD1-OG 3.22Å; L486-V560 HydrophobicContact CD1-CG2 3.75Å; L486-V560 HydrophobicContact CD2-CG2 3.94Å; L486-V560 HydrophobicContact CG-CG2 3.92Å |
| 487 | F | 97.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 169.4 | -177.9 | 75.1 | -87.3 | 0 | 0 | 0 | 115.6 | L420 W462 I489 L501 T502 F503 L536 L556 S558 Y559 V560 | L420-F487 HydrophobicContact CB-CE1 4.36Å; L420-F487 HydrophobicContact CD1-CE1 4.36Å; L420-F487 HydrophobicContact CD1-CZ 4.07Å; L420-F487 HydrophobicContact CD2-CE1 3.88Å; L420-F487 HydrophobicContact CD2-CZ 4.17Å; L420-F487 HydrophobicContact CG-CE1 4.43Å; W462-F487 HydrophobicContact CB-CE2 3.97Å; W462-F487 HydrophobicContact CB-CZ 4.42Å; W462-F487 HydrophobicContact CG-CE2 4.36Å; F487-I489 HydrophobicContact CD2-CG1 4.4Å; F487-I489 HydrophobicContact CE2-CG1 4.47Å; F487-L501 HydrophobicContact CB-CD1 3.86Å; F487-L501 HydrophobicContact CD2-CD1 3.41Å; F487-L501 VanDerWaalsContact CD2-CD1 3.41Å; F487-L501 HydrophobicContact CE2-CD1 4.21Å; F487-L501 HydrophobicContact CG-CD1 3.85Å; F487-T502 CarbonylContact C-O 3.46Å; F487-T502 VanDerWaalsContact CA-O 3.24Å; F487-T502 WeakPolarHBondContact CA-O 3.46Å; F487-T502 WeakPolarHBondContact CB-O 3.38Å; F487-F503 HydrophobicContact CB-CB 3.7Å; F487-L536 HydrophobicContact CD2-CD2 4.42Å; F487-L536 HydrophobicContact CE1-CD2 4.5Å; F487-L536 HydrophobicContact CE2-CD1 4.37Å; F487-L536 HydrophobicContact CE2-CD2 3.61Å; F487-L536 HydrophobicContact CZ-CD1 4.33Å; F487-L536 HydrophobicContact CZ-CD2 3.66Å; F487-L556 HydrophobicContact CB-CD2 4.01Å; F487-L556 HydrophobicContact CD1-CB 3.9Å; F487-L556 HydrophobicContact CD1-CD1 4.28Å; F487-L556 HydrophobicContact CD1-CD2 3.83Å; F487-L556 HydrophobicContact CD1-CG 4.22Å; F487-L556 HydrophobicContact CE1-CB 3.93Å; F487-L556 HydrophobicContact CE1-CD1 4.3Å; F487-L556 HydrophobicContact CG-CD2 4.02Å; F487-S558 WeakPolarHBondContact CD1-O 3.46Å; F487-S558 WeakPolarHBondContact CE1-O 3.49Å; F487-S558 PolarHBondContact N-O 3.08Å; F487-Y559 VanDerWaalsContact O-CA 3.26Å; F487-Y559 WeakPolarHBondContact O-CA 3.41Å; F487-V560 PolarHBondContact O-N 3.4Å |
| 488 | V | 96.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 150.1 | 163.6 | -64.3 | 0 | 0 | 0 | 0 | 109.2 | H464 L467 A472 L475 V476 T502 V560 | H464-V488 WeakPolarHBondContact NE2-CG1 3.45Å; L467-V488 HydrophobicContact CD2-CG2 4.27Å; A472-V488 HydrophobicContact CB-CG2 3.97Å; L475-V488 HydrophobicContact CD1-CG1 4.47Å; V476-V488 HydrophobicContact CG1-CG1 4.38Å; V476-V488 HydrophobicContact CG1-CG2 4.19Å; V488-T502 PolarHBondContact N-O 2.83Å; V488-T502 PolarHBondContact O-N 3.08Å; V488-V560 HydrophobicContact CG1-CB 3.69Å; V488-V560 HydrophobicContact CG1-CG2 3.94Å |
| 489 | I | 96.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 139.2 | 164.6 | -60 | -177.7 | 0 | 0 | 0 | 108.6 | W462 F463 H464 F487 L501 L514 V532 M535 L536 | W462-I489 HydrophobicContact CE3-CB 3.87Å; W462-I489 HydrophobicContact CE3-CD1 3.78Å; W462-I489 HydrophobicContact CE3-CG1 4.03Å; W462-I489 HydrophobicContact CH2-CD1 4.39Å; W462-I489 HydrophobicContact CZ3-CB 4.03Å; W462-I489 HydrophobicContact CZ3-CD1 3.67Å; W462-I489 HydrophobicContact CZ3-CG1 4.27Å; W462-I489 HydrophobicContact CZ3-CG2 4.36Å; W462-I489 PolarHBondContact O-N 2.93Å; F463-I489 WeakPolarHBondContact CA-O 3.46Å; F463-I489 HydrophobicContact CD2-CB 4.47Å; F463-I489 HydrophobicContact CD2-CG2 4.14Å; H464-I489 PolarHBondContact N-O 3.02Å; F487-I489 HydrophobicContact CD2-CG1 4.4Å; F487-I489 HydrophobicContact CE2-CG1 4.47Å; I489-L501 HydrophobicContact CD1-CD1 4.2Å; I489-L501 HydrophobicContact CG1-CB 4.32Å; I489-L501 HydrophobicContact CG1-CD1 3.69Å; I489-L514 HydrophobicContact CD1-CD1 4.04Å; I489-L514 HydrophobicContact CG1-CD1 4.49Å; I489-L514 HydrophobicContact CG2-CD1 4Å; I489-V532 HydrophobicContact CD1-CG1 3.72Å; I489-M535 HydrophobicContact CD1-CE 3.92Å; I489-L536 HydrophobicContact CD1-CD1 4.48Å; I489-L536 HydrophobicContact CD1-CD2 4.15Å |
| 490 | R | 94.9 | Very high | 89.4 | Confident | 12 Ų | 12 | 48.7 Ų | 48.7 | 5% | 0.045 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 156.3 | -179.8 | 71 | -163.4 | -169.9 | 84.5 | 4 | 111.3 | G465 L467 E493 Y499 V500 | G465-R490 WeakPolarHBondContact O-CA 3.48Å; L467-R490 HydrophobicContact CB-CB 3.78Å; L467-R490 WeakPolarHBondContact O-CD 3.43Å; L467-R490 PolarHBondContact O-NH1 2.84Å; R490-E493 IonicContact CZ-OE2 3.68Å; R490-E493 IonicContact NH1-OE2 2.75Å; R490-E493 PolarHBondContact NH1-OE2 3.45Å; R490-E493 IonicContact NH2-OE2 3.76Å; R490-Y499 CarbonylContact O-C 3.46Å; R490-Y499 WeakPolarHBondContact O-CA 3.39Å; R490-V500 HydrophobicContact CG-CB 4.09Å; R490-V500 PolarHBondContact N-O 3.02Å; R490-V500 VanDerWaalsContact N-O 3.1Å; R490-V500 PolarHBondContact O-N 3.42Å |
| 491 | Q | 92.4 | Very high | 89.7 | Confident | 64 Ų | 64 | 47.6 Ų | 47.6 | 30% | 0.299 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 148.9 | 166.2 | -162.4 | 174.3 | 17.1 | 0 | 0 | 110.3 | G465 T466 E493 | G465-Q491 PolarHBondContact O-N 3.36Å; T466-Q491 PolarHBondContact OG1-OE1 3.3Å; Q491-E493 PolarHBondContact O-N 2.99Å |
| 492 | S | 86.3 | Confident | 90.1 | Very high | 8 Ų | 8 | 43.3 Ų | 43.3 | 6% | 0.056 | 22% | 0.221 | C | C | . | . | trans | -87.1 | 107.4 | -176.4 | 178.8 | 0 | 0 | 0 | 0 | 112.3 | T494 R495 E498 | S492-T494 PolarHBondContact O-N 3.22Å; S492-R495 WeakPolarHBondContact CB-O 3.35Å; S492-R495 CarbonylContact O-C 3.55Å; S492-R495 PolarHBondContact O-N 3.31Å; S492-R495 VanDerWaalsContact O-N 3.08Å; S492-E498 VanDerWaalsContact CB-O 3.29Å; S492-E498 WeakPolarHBondContact CB-O 3.48Å; S492-E498 PolarHBondContact N-O 3.38Å | ||
| 493 | E | 84.5 | Confident | 90.5 | Very high | 95 Ų | 95 | 33.3 Ų | 33.3 | 44% | 0.444 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.6 | -36.7 | 177.6 | -59.5 | 151.6 | 102.6 | 0 | 0 | 114.5 | T466 S468 R469 R490 Q491 | T466-E493 HydrophobicContact CG2-CG 4.33Å; S468-E493 WeakPolarHBondContact CA-OE1 3.29Å; S468-E493 WeakPolarHBondContact CA-OE2 3.47Å; S468-E493 WeakPolarHBondContact CB-OE1 3.4Å; R469-E493 PolarHBondContact N-OE2 3.13Å; R490-E493 IonicContact CZ-OE2 3.68Å; R490-E493 IonicContact NH1-OE2 2.75Å; R490-E493 PolarHBondContact NH1-OE2 3.45Å; R490-E493 IonicContact NH2-OE2 3.76Å; Q491-E493 PolarHBondContact O-N 2.99Å |
| 494 | T | 77 | Confident | 90.6 | Very high | 111 Ų | 111 | 32.2 Ų | 32.2 | 68% | 0.681 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -7.9 | -173.1 | 55.6 | 0 | 0 | 0 | 0 | 114.1 | S492 | S492-T494 PolarHBondContact O-N 3.22Š|
| 495 | R | 77.3 | Confident | 90.7 | Very high | 94 Ų | 94 | 31.1 Ų | 31.1 | 36% | 0.355 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -148.4 | 96.2 | -174.2 | -62.9 | -167.7 | -56.2 | -85.8 | -9.1 | 110.1 | S492 E498 | S492-R495 WeakPolarHBondContact CB-O 3.35Å; S492-R495 CarbonylContact O-C 3.55Å; S492-R495 PolarHBondContact O-N 3.31Å; S492-R495 VanDerWaalsContact O-N 3.08Å; R495-E498 HydrophobicContact CB-CB 4.31Å; R495-E498 HydrophobicContact CB-CG 4.12Å; R495-E498 VanDerWaalsContact CD-OE1 3.23Å; R495-E498 WeakPolarHBondContact CD-OE1 3.45Å; R495-E498 IonicContact CZ-OE1 3.9Å; R495-E498 IonicContact CZ-OE2 3.18Å; R495-E498 IonicContact NE-OE1 2.83Å; R495-E498 PolarHBondContact NE-OE1 3.27Å; R495-E498 IonicContact NE-OE2 2.79Å; R495-E498 PolarHBondContact NE-OE2 2.87Å; R495-E498 IonicContact NH2-OE2 2.7Å; R495-E498 PolarHBondContact NH2-OE2 3.09Å; R495-E498 WeakPolarHBondContact O-CB 3.32Å; R495-E498 PolarHBondContact O-N 3.33Å |
| 496 | P | 75.1 | Confident | 90.5 | Very high | 125 Ų | 125 | 36.1 Ų | 36.1 | 81% | 0.812 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 147.8 | 176.5 | -27.1 | 35.8 | 0 | 0 | 0 | 112.6 | E498 | P496-E498 PolarHBondContact O-N 3.39Š|
| 497 | G | 76.9 | Confident | 90.2 | Very high | 50 Ų | 50 | 37.3 Ų | 37.3 | 52% | 0.515 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | -6.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 498 | E | 87.5 | Confident | 90 | Very high | 21 Ų | 21 | 41.7 Ų | 41.7 | 10% | 0.098 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 148.1 | 173.7 | -66 | -174.8 | -151.6 | 0 | 0 | 113 | S492 R495 P496 R513 | S492-E498 VanDerWaalsContact CB-O 3.29Å; S492-E498 WeakPolarHBondContact CB-O 3.48Å; S492-E498 PolarHBondContact N-O 3.38Å; R495-E498 HydrophobicContact CB-CB 4.31Å; R495-E498 HydrophobicContact CB-CG 4.12Å; R495-E498 VanDerWaalsContact CD-OE1 3.23Å; R495-E498 WeakPolarHBondContact CD-OE1 3.45Å; R495-E498 IonicContact CZ-OE1 3.9Å; R495-E498 IonicContact CZ-OE2 3.18Å; R495-E498 IonicContact NE-OE1 2.83Å; R495-E498 PolarHBondContact NE-OE1 3.27Å; R495-E498 IonicContact NE-OE2 2.79Å; R495-E498 PolarHBondContact NE-OE2 2.87Å; R495-E498 IonicContact NH2-OE2 2.7Å; R495-E498 PolarHBondContact NH2-OE2 3.09Å; R495-E498 WeakPolarHBondContact O-CB 3.32Å; R495-E498 PolarHBondContact O-N 3.33Å; P496-E498 PolarHBondContact O-N 3.39Å; E498-R513 IonicContact OE1-CZ 2.66Å; E498-R513 IonicContact OE1-NH1 3.99Å; E498-R513 PolarHBondContact OE1-NH1 3.18Å; E498-R513 IonicContact OE1-NH2 3.48Å; E498-R513 PolarHBondContact OE1-NH2 3.48Å; E498-R513 IonicContact OE2-CZ 3.06Å; E498-R513 IonicContact OE2-NE 3.9Å; E498-R513 PolarHBondContact OE2-NE 3.13Å; E498-R513 IonicContact OE2-NH1 2.84Å; E498-R513 PolarHBondContact OE2-NH1 2.96Å; E498-R513 IonicContact OE2-NH2 3.73Å; E498-R513 PolarHBondContact OE2-NH2 3.03Å |
| 499 | Y | 93.8 | Very high | 89.9 | Confident | 44 Ų | 44 | 43.1 Ų | 43.1 | 17% | 0.173 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 155.4 | 178.3 | -62.7 | -99.6 | 0 | 0 | 0 | 109.8 | L457 F463 R490 L514 L516 | L457-Y499 HydrophobicContact CD1-CD1 3.95Å; L457-Y499 HydrophobicContact CD1-CE1 3.46Å; L457-Y499 VanDerWaalsContact CD1-CE1 3.46Å; L457-Y499 HydrophobicContact CD1-CE2 4.4Å; F463-Y499 AromaticContact CE2-CD1 3.75Å; F463-Y499 HydrophobicContact CE2-CD1 3.75Å; F463-Y499 AromaticContact CE2-CE1 3.71Å; F463-Y499 HydrophobicContact CE2-CE1 3.71Å; F463-Y499 HydrophobicContact CZ-CD1 4.39Å; F463-Y499 AromaticContact CZ-CE1 3.9Å; F463-Y499 HydrophobicContact CZ-CE1 3.9Å; R490-Y499 CarbonylContact O-C 3.46Å; R490-Y499 WeakPolarHBondContact O-CA 3.39Å; Y499-L514 PolarHBondContact N-O 3.2Å; Y499-L514 PolarHBondContact O-N 2.88Å; Y499-L514 VanDerWaalsContact O-O 3.12Å; Y499-L516 HydrophobicContact CD2-CD1 3.69Å; Y499-L516 HydrophobicContact CD2-CG 3.91Å; Y499-L516 HydrophobicContact CE2-CD1 3.66Å; Y499-L516 HydrophobicContact CE2-CG 4.19Å; Y499-L516 HydrophobicContact CG-CD1 4.32Å |
| 500 | V | 95.5 | Very high | 89.9 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 6% | 0.055 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 114.2 | -175.8 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | R490 T502 H511 L512 | R490-V500 HydrophobicContact CG-CB 4.09Å; R490-V500 PolarHBondContact N-O 3.02Å; R490-V500 VanDerWaalsContact N-O 3.1Å; R490-V500 PolarHBondContact O-N 3.42Å; V500-T502 PolarHBondContact O-N 3.08Å; V500-H511 HydrophobicContact CG1-CB 3.79Å; V500-L512 WeakPolarHBondContact CA-O 3.49Å |
| 501 | L | 96.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 113.5 | 163.8 | 174.3 | 67.7 | 0 | 0 | 0 | 107.8 | F487 I489 F503 H511 L512 L514 M535 L556 | F487-L501 HydrophobicContact CB-CD1 3.86Å; F487-L501 HydrophobicContact CD2-CD1 3.41Å; F487-L501 VanDerWaalsContact CD2-CD1 3.41Å; F487-L501 HydrophobicContact CE2-CD1 4.21Å; F487-L501 HydrophobicContact CG-CD1 3.85Å; I489-L501 HydrophobicContact CD1-CD1 4.2Å; I489-L501 HydrophobicContact CG1-CB 4.32Å; I489-L501 HydrophobicContact CG1-CD1 3.69Å; L501-F503 HydrophobicContact CD2-CD1 4.4Å; L501-F503 HydrophobicContact CG-CD1 4.15Å; L501-H511 WeakPolarHBondContact O-CA 2.97Å; L501-L512 HydrophobicContact CB-CB 4.31Å; L501-L512 HydrophobicContact CD2-CD2 4.15Å; L501-L512 PolarHBondContact N-O 2.86Å; L501-L512 PolarHBondContact O-N 2.97Å; L501-L514 HydrophobicContact CB-CD1 4.2Å; L501-L514 HydrophobicContact CB-CD2 4.06Å; L501-L514 HydrophobicContact CB-CG 4.26Å; L501-M535 HydrophobicContact CD2-SD 4.23Å; L501-L556 HydrophobicContact CD1-CD1 4.31Å; L501-L556 HydrophobicContact CD1-CD2 4.44Å; L501-L556 HydrophobicContact CD2-CD1 4.03Å; L501-L556 HydrophobicContact CD2-CD2 4.28Å |
| 502 | T | 97.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125 | 174.2 | -61.8 | 0 | 0 | 0 | 0 | 108.6 | A472 V476 F487 V488 V500 K510 H511 | A472-T502 HydrophobicContact CB-CG2 3.91Å; V476-T502 HydrophobicContact CG2-CG2 4.24Å; F487-T502 CarbonylContact C-O 3.46Å; F487-T502 VanDerWaalsContact CA-O 3.24Å; F487-T502 WeakPolarHBondContact CA-O 3.46Å; F487-T502 WeakPolarHBondContact CB-O 3.38Å; V488-T502 PolarHBondContact N-O 2.83Å; V488-T502 PolarHBondContact O-N 3.08Å; V500-T502 PolarHBondContact O-N 3.08Å; T502-K510 WeakPolarHBondContact CA-O 3.14Å; T502-H511 VanDerWaalsContact CG2-ND1 3.35Å; T502-H511 WeakPolarHBondContact CG2-ND1 3.11Å; T502-H511 PolarHBondContact OG1-ND1 3.33Å |
| 503 | F | 97.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 157.1 | -173.1 | 64.6 | -83.6 | 0 | 0 | 0 | 112.6 | L486 F487 L501 F505 K510 L512 I544 L546 I554 L556 | L486-F503 CarbonylContact O-C 3.51Å; L486-F503 VanDerWaalsContact O-CA 3.28Å; L486-F503 WeakPolarHBondContact O-CA 3.26Å; F487-F503 HydrophobicContact CB-CB 3.7Å; L501-F503 HydrophobicContact CD2-CD1 4.4Å; L501-F503 HydrophobicContact CG-CD1 4.15Å; F503-F505 HydrophobicContact CE2-CB 4.25Å; F503-K510 HydrophobicContact CD1-CB 4.14Å; F503-K510 HydrophobicContact CD2-CB 4.12Å; F503-K510 HydrophobicContact CE1-CB 3.61Å; F503-K510 HydrophobicContact CE2-CB 3.58Å; F503-K510 HydrophobicContact CE2-CG 3.98Å; F503-K510 HydrophobicContact CG-CB 4.37Å; F503-K510 HydrophobicContact CZ-CB 3.3Å; F503-K510 HydrophobicContact CZ-CG 4.01Å; F503-K510 PolarHBondContact N-O 3.45Å; F503-K510 PolarHBondContact O-N 2.86Å; F503-L512 HydrophobicContact CE1-CB 4.06Å; F503-I544 HydrophobicContact CD1-CD1 4.41Å; F503-I544 HydrophobicContact CD2-CD1 4.34Å; F503-I544 HydrophobicContact CE1-CD1 4.16Å; F503-I544 HydrophobicContact CE2-CD1 4.09Å; F503-I544 HydrophobicContact CG-CD1 4.49Å; F503-I544 HydrophobicContact CZ-CD1 3.98Å; F503-L546 HydrophobicContact CE2-CD1 4.28Å; F503-L546 HydrophobicContact CZ-CD1 4.22Å; F503-L546 HydrophobicContact CZ-CD2 4Å; F503-I554 HydrophobicContact CD2-CD1 4.2Å; F503-I554 HydrophobicContact CD2-CG1 4Å; F503-I554 HydrophobicContact CE2-CD1 4.47Å; F503-I554 HydrophobicContact CE2-CG1 3.82Å; F503-L556 HydrophobicContact CB-CD2 4.21Å |
| 504 | N | 95.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 117.2 | 178.2 | 177.7 | -24.9 | 0 | 0 | 0 | 110.8 | V476 G480 N483 G485 L486 Q506 G507 | V476-N504 HydrophobicContact CB-CB 4.1Å; V476-N504 HydrophobicContact CG2-CB 4.23Å; V476-N504 WeakPolarHBondContact O-CB 3.44Å; V476-N504 PolarHBondContact O-ND2 2.91Å; G480-N504 PolarHBondContact O-ND2 2.72Å; N483-N504 VanDerWaalsContact O-CB 3.29Å; N483-N504 WeakPolarHBondContact O-CB 3.24Å; N483-N504 VanDerWaalsContact O-CG 3.27Å; N483-N504 PolarHBondContact O-ND2 3.27Å; G485-N504 PolarHBondContact N-O 2.6Å; L486-N504 HydrophobicContact CB-CB 4.44Å; L486-N504 PolarHBondContact O-N 3.03Å; N504-Q506 PolarHBondContact OD1-N 3.34Å; N504-G507 WeakPolarHBondContact OD1-CA 3.28Å; N504-G507 PolarHBondContact OD1-N 3.5Å |
| 505 | F | 94.6 | Very high | 91.2 | Very high | 19 Ų | 19 | 42.8 Ų | 42.8 | 8% | 0.083 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 97.8 | 171 | -176.4 | -103 | 0 | 0 | 0 | 109.4 | H484 F503 G507 K508 K510 L546 A552 I554 | H484-F505 AromaticContact CE1-CD2 3.96Å; F503-F505 HydrophobicContact CE2-CB 4.25Å; F505-G507 VanDerWaalsContact C-N 3.3Å; F505-G507 PolarHBondContact O-N 3.48Å; F505-K508 PolarHBondContact N-O 2.88Å; F505-K508 WeakPolarHBondContact O-CB 3.49Å; F505-K508 PolarHBondContact O-N 3.45Å; F505-K510 HydrophobicContact CB-CG 3.64Å; F505-K510 HydrophobicContact CG-CG 4.36Å; F505-L546 HydrophobicContact CD2-CD1 4.06Å; F505-L546 HydrophobicContact CE2-CD1 4.2Å; F505-L546 HydrophobicContact CG-CD1 4.37Å; F505-A552 WeakPolarHBondContact CE2-O 3.49Å; F505-A552 HydrophobicContact CZ-CB 4.35Å; F505-I554 HydrophobicContact CD2-CB 3.65Å; F505-I554 HydrophobicContact CD2-CD1 4.35Å; F505-I554 HydrophobicContact CD2-CG1 3.93Å; F505-I554 HydrophobicContact CD2-CG2 3.78Å; F505-I554 HydrophobicContact CE2-CB 3.79Å; F505-I554 HydrophobicContact CE2-CG2 3.71Å |
| 506 | Q | 91.3 | Very high | 91.8 | Very high | 105 Ų | 105 | 40.5 Ų | 40.5 | 49% | 0.491 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 39.9 | 178.1 | -57.6 | -174.3 | -25.8 | 0 | 0 | 114.1 | H484 N504 | H484-Q506 WeakPolarHBondContact ND1-CG 3.48Å; H484-Q506 PolarHBondContact ND1-N 3.04Å; N504-Q506 PolarHBondContact OD1-N 3.34Å |
| 507 | G | 90.8 | Very high | 92.3 | Very high | 25 Ų | 25 | 37.9 Ų | 37.9 | 26% | 0.258 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 12.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L477 N504 F505 | L477-G507 VanDerWaalsContact CD2-O 3.28Å; L477-G507 WeakPolarHBondContact CD2-O 3.45Å; N504-G507 WeakPolarHBondContact OD1-CA 3.28Å; N504-G507 PolarHBondContact OD1-N 3.5Å; F505-G507 VanDerWaalsContact C-N 3.3Å; F505-G507 PolarHBondContact O-N 3.48Å |
| 508 | K | 92.9 | Very high | 92.4 | Very high | 91 Ų | 91 | 38.6 Ų | 38.6 | 40% | 0.396 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 128.9 | 170.7 | -61 | -178 | -178.5 | 179.7 | 0 | 110 | F505 K510 | F505-K508 PolarHBondContact N-O 2.88Å; F505-K508 WeakPolarHBondContact O-CB 3.49Å; F505-K508 PolarHBondContact O-N 3.45Å; K508-K510 PolarHBondContact O-N 3.41Å |
| 509 | A | 95.2 | Very high | 92 | Very high | 30 Ų | 30 | 44.2 Ų | 44.2 | 25% | 0.248 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 129.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110 | A473 V476 L477 | A473-A509 HydrophobicContact CB-CB 3.69Å; V476-A509 HydrophobicContact CG2-CB 4.3Å; L477-A509 HydrophobicContact CD1-CB 4Å; L477-A509 HydrophobicContact CG-CB 4.24Å |
| 510 | K | 95 | Very high | 91.3 | Very high | 56 Ų | 56 | 42.5 Ų | 42.5 | 24% | 0.243 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 148.4 | 170.8 | -66.6 | -71.5 | -177.5 | 174.5 | 0 | 108.5 | T502 F503 F505 K508 S548 | T502-K510 WeakPolarHBondContact CA-O 3.14Å; F503-K510 HydrophobicContact CD1-CB 4.14Å; F503-K510 HydrophobicContact CD2-CB 4.12Å; F503-K510 HydrophobicContact CE1-CB 3.61Å; F503-K510 HydrophobicContact CE2-CB 3.58Å; F503-K510 HydrophobicContact CE2-CG 3.98Å; F503-K510 HydrophobicContact CG-CB 4.37Å; F503-K510 HydrophobicContact CZ-CB 3.3Å; F503-K510 HydrophobicContact CZ-CG 4.01Å; F503-K510 PolarHBondContact N-O 3.45Å; F503-K510 PolarHBondContact O-N 2.86Å; F505-K510 HydrophobicContact CB-CG 3.64Å; F505-K510 HydrophobicContact CG-CG 4.36Å; K508-K510 PolarHBondContact O-N 3.41Å; K510-S548 PolarHBondContact NZ-OG 2.9Å |
| 511 | H | 93.4 | Very high | 90.9 | Very high | 62 Ų | 62 | 44.1 Ų | 44.1 | 29% | 0.287 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 121 | 178.9 | -50.3 | -72.6 | 0 | 0 | 0 | 108.6 | R469 V500 L501 T502 | R469-H511 PolarHBondContact NE-CD2 3.25Å; R469-H511 VanDerWaalsContact NE-CD2 3.3Å; R469-H511 PolarHBondContact NE-NE2 3.36Å; V500-H511 HydrophobicContact CG1-CB 3.79Å; L501-H511 WeakPolarHBondContact O-CA 2.97Å; T502-H511 VanDerWaalsContact CG2-ND1 3.35Å; T502-H511 WeakPolarHBondContact CG2-ND1 3.11Å; T502-H511 PolarHBondContact OG1-ND1 3.33Å |
| 512 | L | 93.3 | Very high | 90.7 | Very high | 13 Ų | 13 | 44.1 Ų | 44.1 | 7% | 0.068 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 116.5 | 178.5 | -176.3 | 60.8 | 0 | 0 | 0 | 108.3 | V500 L501 F503 L514 V524 Q525 F539 I544 | V500-L512 WeakPolarHBondContact CA-O 3.49Å; L501-L512 HydrophobicContact CB-CB 4.31Å; L501-L512 HydrophobicContact CD2-CD2 4.15Å; L501-L512 PolarHBondContact N-O 2.86Å; L501-L512 PolarHBondContact O-N 2.97Å; F503-L512 HydrophobicContact CE1-CB 4.06Å; L512-L514 PolarHBondContact O-N 3.08Å; L512-V524 HydrophobicContact CD1-CG1 3.84Å; L512-V524 HydrophobicContact CD2-CG1 3.46Å; L512-V524 VanDerWaalsContact CD2-CG1 3.46Å; L512-V524 HydrophobicContact CG-CG1 3.6Å; L512-Q525 HydrophobicContact CD1-CG 3.94Å; L512-F539 HydrophobicContact CD2-CE2 4.32Å; L512-I544 HydrophobicContact CD2-CG2 3.81Å |
| 513 | R | 92.9 | Very high | 90.4 | Very high | 122 Ų | 122 | 48.2 Ų | 48.2 | 46% | 0.46 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 124.8 | 176.1 | 173.7 | -175.8 | 166.1 | 128.5 | 10.2 | 109 | E498 S515 | E498-R513 IonicContact OE1-CZ 2.66Å; E498-R513 IonicContact OE1-NH1 3.99Å; E498-R513 PolarHBondContact OE1-NH1 3.18Å; E498-R513 IonicContact OE1-NH2 3.48Å; E498-R513 PolarHBondContact OE1-NH2 3.48Å; E498-R513 IonicContact OE2-CZ 3.06Å; E498-R513 IonicContact OE2-NE 3.9Å; E498-R513 PolarHBondContact OE2-NE 3.13Å; E498-R513 IonicContact OE2-NH1 2.84Å; E498-R513 PolarHBondContact OE2-NH1 2.96Å; E498-R513 IonicContact OE2-NH2 3.73Å; E498-R513 PolarHBondContact OE2-NH2 3.03Å; R513-S515 PolarHBondContact NE-OG 2.92Å |
| 514 | L | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 148.7 | 167.2 | -44.2 | 178.4 | 0 | 0 | 0 | 107.6 | I489 Y499 L501 L512 V524 M535 | I489-L514 HydrophobicContact CD1-CD1 4.04Å; I489-L514 HydrophobicContact CG1-CD1 4.49Å; I489-L514 HydrophobicContact CG2-CD1 4Å; Y499-L514 PolarHBondContact N-O 3.2Å; Y499-L514 PolarHBondContact O-N 2.88Å; Y499-L514 VanDerWaalsContact O-O 3.12Å; L501-L514 HydrophobicContact CB-CD1 4.2Å; L501-L514 HydrophobicContact CB-CD2 4.06Å; L501-L514 HydrophobicContact CB-CG 4.26Å; L512-L514 PolarHBondContact O-N 3.08Å; L514-V524 HydrophobicContact CD2-CG1 4.29Å; L514-V524 HydrophobicContact CD2-CG2 3.56Å; L514-M535 HydrophobicContact CD1-CE 3.9Å; L514-M535 HydrophobicContact CD2-CE 4.02Å; L514-M535 HydrophobicContact CD2-SD 4.35Å |
| 515 | S | 90.4 | Very high | 89.6 | Confident | 32 Ų | 32 | 52.4 Ų | 52.4 | 22% | 0.224 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 128 | 169.4 | -61.6 | 0 | 0 | 0 | 0 | 108.4 | R513 H523 | R513-S515 PolarHBondContact NE-OG 2.92Å; S515-H523 PolarHBondContact N-O 3.1Å; S515-H523 PolarHBondContact O-N 2.87Å |
| 516 | L | 89.3 | Confident | 89 | Confident | 46 Ų | 46 | 57.6 Ų | 57.6 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 150.4 | -177.6 | -49.1 | -176 | 0 | 0 | 0 | 108.9 | L457 Y499 Q521 C522 V532 | L457-L516 HydrophobicContact CD1-CD1 3.67Å; Y499-L516 HydrophobicContact CD2-CD1 3.69Å; Y499-L516 HydrophobicContact CD2-CG 3.91Å; Y499-L516 HydrophobicContact CE2-CD1 3.66Å; Y499-L516 HydrophobicContact CE2-CG 4.19Å; Y499-L516 HydrophobicContact CG-CD1 4.32Å; L516-Q521 WeakPolarHBondContact CA-O 3.17Å; L516-C522 HydrophobicContact CD2-CB 3.85Å; L516-V532 HydrophobicContact CD1-CG2 4.14Å; L516-V532 HydrophobicContact CD2-CG2 3.64Å |
| 517 | N | 85.8 | Confident | 88.9 | Confident | 69 Ų | 69 | 54.7 Ų | 54.7 | 37% | 0.369 | 29% | 0.287 | S | S | . | . | trans | -101.2 | 173.6 | 163.5 | 63.8 | 11.2 | 0 | 0 | 0 | 110.2 | H519 G520 Q521 | N517-H519 PolarHBondContact O-N 2.84Å; N517-H519 PolarHBondContact OD1-N 3.03Å; N517-G520 PolarHBondContact O-N 3.24Å; N517-G520 PolarHBondContact OD1-N 2.83Å; N517-Q521 PolarHBondContact ND2-OE1 2.91Å; N517-Q521 WeakPolarHBondContact OD1-CB 3.33Å; N517-Q521 PolarHBondContact OD1-N 3.08Å | ||
| 518 | G | 78.9 | Confident | 88.9 | Confident | 66 Ų | 66 | 59.9 Ų | 59.9 | 68% | 0.68 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -14.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 519 | H | 78.6 | Confident | 88.9 | Confident | 139 Ų | 139 | 56.7 Ų | 56.7 | 64% | 0.644 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 13.7 | 174.7 | -46.8 | -44.8 | 0 | 0 | 0 | 113.3 | N517 Q521 | N517-H519 PolarHBondContact O-N 2.84Å; N517-H519 PolarHBondContact OD1-N 3.03Å; H519-Q521 VanDerWaalsContact C-N 3.28Å; H519-Q521 HydrophobicContact CB-CG 4.48Å; H519-Q521 PolarHBondContact O-N 2.79Å |
| 520 | G | 78.9 | Confident | 88.8 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 8% | 0.082 | 30% | 0.298 | C | S | . | . | trans | 78.2 | -1.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | N517 C522 | N517-G520 PolarHBondContact O-N 3.24Å; N517-G520 PolarHBondContact OD1-N 2.83Å; G520-C522 PolarHBondContact O-N 2.95Å | ||
| 521 | Q | 87.6 | Confident | 88.6 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 20% | 0.201 | 30% | 0.297 | C | S | . | . | trans | -70.1 | 126.7 | -172.3 | -58.7 | 167.1 | -3.6 | 0 | 0 | 109.6 | L516 N517 H519 W528 F529 | L516-Q521 WeakPolarHBondContact CA-O 3.17Å; N517-Q521 PolarHBondContact ND2-OE1 2.91Å; N517-Q521 WeakPolarHBondContact OD1-CB 3.33Å; N517-Q521 PolarHBondContact OD1-N 3.08Å; H519-Q521 VanDerWaalsContact C-N 3.28Å; H519-Q521 HydrophobicContact CB-CG 4.48Å; H519-Q521 PolarHBondContact O-N 2.79Å; Q521-W528 HydrophobicContact CB-CZ2 4.24Å; Q521-W528 HydrophobicContact CG-CZ2 4.01Å; Q521-F529 CarbonylContact C-O 3.5Å; Q521-F529 WeakPolarHBondContact CA-O 3.26Å | ||
| 522 | C | 92 | Very high | 88.5 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 113.6 | -172.3 | -167.6 | 0 | 0 | 0 | 0 | 110.8 | L516 G520 F529 V532 M535 | L516-C522 HydrophobicContact CD2-CB 3.85Å; G520-C522 PolarHBondContact O-N 2.95Å; C522-F529 HydrophobicContact CB-CB 4.33Å; C522-F529 PolarHBondContact N-O 3.42Å; C522-F529 PolarHBondContact O-N 3.25Å; C522-V532 HydrophobicContact CB-CG2 4.15Å; C522-M535 HydrophobicContact CB-CB 4.42Å |
| 523 | H | 91.2 | Very high | 88.4 | Confident | 86 Ų | 86 | 57.5 Ų | 57.5 | 40% | 0.398 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 130 | 174.9 | -173.7 | -96.1 | 0 | 0 | 0 | 111.4 | S515 Q525 L527 | S515-H523 PolarHBondContact N-O 3.1Å; S515-H523 PolarHBondContact O-N 2.87Å; H523-Q525 PolarHBondContact CE1-O 2.89Å; H523-Q525 VanDerWaalsContact CE1-O 3.22Å; H523-L527 PolarHBondContact CD2-O 2.75Å |
| 524 | V | 90.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 106.5 | -171.1 | -172.8 | 0 | 0 | 0 | 0 | 110.5 | L512 L514 H526 L527 F529 M535 F539 | L512-V524 HydrophobicContact CD1-CG1 3.84Å; L512-V524 HydrophobicContact CD2-CG1 3.46Å; L512-V524 VanDerWaalsContact CD2-CG1 3.46Å; L512-V524 HydrophobicContact CG-CG1 3.6Å; L514-V524 HydrophobicContact CD2-CG1 4.29Å; L514-V524 HydrophobicContact CD2-CG2 3.56Å; V524-H526 VanDerWaalsContact C-N 3.35Å; V524-H526 PolarHBondContact O-N 2.71Å; V524-L527 PolarHBondContact N-O 3.28Å; V524-L527 PolarHBondContact O-N 2.84Å; V524-F529 HydrophobicContact CB-CE2 4.26Å; V524-F529 HydrophobicContact CG2-CD2 4.27Å; V524-F529 HydrophobicContact CG2-CE2 4.19Å; V524-M535 HydrophobicContact CG2-CG 3.91Å; V524-F539 HydrophobicContact CG1-CE2 4.26Å; V524-F539 HydrophobicContact CG1-CZ 4.43Å |
| 525 | Q | 86.2 | Confident | 88.5 | Confident | 87 Ų | 87 | 54 Ų | 54 | 41% | 0.407 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | -86.1 | -171 | -56.4 | 176.2 | 20.7 | 0 | 0 | 114 | L512 H523 P545 | L512-Q525 HydrophobicContact CD1-CG 3.94Å; H523-Q525 PolarHBondContact CE1-O 2.89Å; H523-Q525 VanDerWaalsContact CE1-O 3.22Å; Q525-P545 PolarHBondContact NE2-O 3.2Å |
| 526 | H | 81.4 | Confident | 88.7 | Confident | 129 Ų | 129 | 52.5 Ų | 52.5 | 60% | 0.597 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.1 | 2.4 | -176.9 | 67.6 | -88.7 | 0 | 0 | 0 | 112 | V524 | V524-H526 VanDerWaalsContact C-N 3.35Å; V524-H526 PolarHBondContact O-N 2.71Å |
| 527 | L | 88.3 | Confident | 88.9 | Confident | 43 Ų | 43 | 53.6 Ų | 53.6 | 23% | 0.225 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 146.1 | 176.7 | -59.7 | 175 | 0 | 0 | 0 | 108.9 | H523 V524 F529 F539 P545 | H523-L527 PolarHBondContact CD2-O 2.75Å; V524-L527 PolarHBondContact N-O 3.28Å; V524-L527 PolarHBondContact O-N 2.84Å; L527-F529 HydrophobicContact CB-CE2 3.72Å; L527-F529 HydrophobicContact CB-CZ 3.79Å; L527-F529 HydrophobicContact CD1-CZ 4.13Å; L527-F539 HydrophobicContact CD1-CE1 3.94Å; L527-F539 HydrophobicContact CD1-CZ 3.88Å; L527-P545 HydrophobicContact CD1-CG 4.08Å |
| 528 | W | 92.6 | Very high | 89.2 | Confident | 135 Ų | 135 | 53 Ų | 53 | 51% | 0.511 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 136.3 | -179.3 | 174.7 | 96.9 | 0 | 0 | 0 | 108.4 | Q521 Q530 | Q521-W528 HydrophobicContact CB-CZ2 4.24Å; Q521-W528 HydrophobicContact CG-CZ2 4.01Å; W528-Q530 VanDerWaalsContact CH2-OE1 3.29Å |
| 529 | F | 92.7 | Very high | 90 | Very high | 23 Ų | 23 | 49.9 Ų | 49.9 | 10% | 0.101 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 147.8 | -176 | -55.9 | -80.1 | 0 | 0 | 0 | 109.9 | Q521 C522 V524 L527 S531 M535 H538 F539 | Q521-F529 CarbonylContact C-O 3.5Å; Q521-F529 WeakPolarHBondContact CA-O 3.26Å; C522-F529 HydrophobicContact CB-CB 4.33Å; C522-F529 PolarHBondContact N-O 3.42Å; C522-F529 PolarHBondContact O-N 3.25Å; V524-F529 HydrophobicContact CB-CE2 4.26Å; V524-F529 HydrophobicContact CG2-CD2 4.27Å; V524-F529 HydrophobicContact CG2-CE2 4.19Å; L527-F529 HydrophobicContact CB-CE2 3.72Å; L527-F529 HydrophobicContact CB-CZ 3.79Å; L527-F529 HydrophobicContact CD1-CZ 4.13Å; F529-S531 WeakPolarHBondContact CB-O 3.22Å; F529-S531 PolarHBondContact O-N 3.29Å; F529-M535 HydrophobicContact CB-CB 4.01Å; F529-M535 HydrophobicContact CD1-CB 4.32Å; F529-M535 HydrophobicContact CD2-CB 3.52Å; F529-M535 HydrophobicContact CD2-CG 3.61Å; F529-M535 HydrophobicContact CE2-CB 4.03Å; F529-M535 HydrophobicContact CE2-CG 3.69Å; F529-M535 HydrophobicContact CG-CB 3.68Å; F529-M535 HydrophobicContact CG-CG 4.27Å; F529-M535 HydrophobicContact CZ-CG 4.43Å; F529-H538 HydrophobicContact CD1-CB 4.27Å; F529-H538 HydrophobicContact CE1-CB 3.57Å; F529-H538 AromaticContact CE1-CD2 3.53Å; F529-H538 AromaticContact CE1-CG 3.55Å; F529-H538 HydrophobicContact CZ-CB 4.25Å; F529-H538 AromaticContact CZ-CD2 3.55Å; F529-F539 HydrophobicContact CE2-CE2 4.19Å; F529-F539 HydrophobicContact CE2-CZ 4.17Å; F529-F539 HydrophobicContact CZ-CE1 4.49Å; F529-F539 HydrophobicContact CZ-CE2 4.28Å; F529-F539 HydrophobicContact CZ-CZ 4.01Å |
| 530 | Q | 91.2 | Very high | 90.7 | Very high | 109 Ų | 109 | 45.5 Ų | 45.5 | 51% | 0.509 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -65.4 | -28 | -177.3 | -158.2 | 62.2 | 72.9 | 0 | 0 | 112.4 | W528 | W528-Q530 VanDerWaalsContact CH2-OE1 3.29Š|
| 531 | S | 91.1 | Very high | 91.3 | Very high | 33 Ų | 33 | 49.5 Ų | 49.5 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -149 | 173.6 | 174.7 | 72.6 | 0 | 0 | 0 | 0 | 111.8 | F529 L533 D534 M535 | F529-S531 WeakPolarHBondContact CB-O 3.22Å; F529-S531 PolarHBondContact O-N 3.29Å; S531-L533 VanDerWaalsContact C-N 3.28Å; S531-L533 WeakPolarHBondContact OG-CB 3.23Å; S531-L533 PolarHBondContact OG-N 3.18Å; S531-D534 WeakPolarHBondContact CB-OD2 3.46Å; S531-D534 PolarHBondContact N-OD2 2.82Å; S531-D534 VanDerWaalsContact OG-CG 3.23Å; S531-D534 PolarHBondContact OG-N 3.11Å; S531-D534 VanDerWaalsContact OG-N 3.1Å; S531-D534 PolarHBondContact OG-OD2 3.26Å; S531-M535 PolarHBondContact O-N 3.08Å |
| 532 | V | 91.6 | Very high | 91.5 | Very high | 11 Ų | 11 | 52 Ų | 52 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.6 | -32.7 | 168 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | L457 W462 I489 L516 C522 M535 L536 | L457-V532 HydrophobicContact CD2-CB 4.38Å; L457-V532 HydrophobicContact CD2-CG2 4.16Å; W462-V532 HydrophobicContact CH2-CB 4.22Å; W462-V532 HydrophobicContact CH2-CG1 3.51Å; W462-V532 HydrophobicContact CZ2-CG1 4.26Å; W462-V532 HydrophobicContact CZ3-CG1 3.99Å; I489-V532 HydrophobicContact CD1-CG1 3.72Å; L516-V532 HydrophobicContact CD1-CG2 4.14Å; L516-V532 HydrophobicContact CD2-CG2 3.64Å; C522-V532 HydrophobicContact CB-CG2 4.15Å; V532-M535 HydrophobicContact CG1-CE 3.77Å; V532-M535 WeakPolarHBondContact O-CB 3.29Å; V532-M535 PolarHBondContact O-N 2.92Å; V532-L536 WeakPolarHBondContact O-CG 3.43Å; V532-L536 PolarHBondContact O-N 3.44Å; V532-L536 VanDerWaalsContact O-N 3.08Å |
| 533 | L | 92.3 | Very high | 91.4 | Very high | 25 Ų | 25 | 54.7 Ų | 54.7 | 13% | 0.131 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 178.3 | 177.7 | 64.2 | 0 | 0 | 0 | 111.7 | F423 L424 L427 S531 M535 L536 R537 | F423-L533 HydrophobicContact CE1-CD1 3.97Å; L424-L533 HydrophobicContact CD2-CD1 3.65Å; L427-L533 HydrophobicContact CD1-CD1 3.63Å; L427-L533 HydrophobicContact CD1-CD2 3.71Å; L427-L533 HydrophobicContact CD1-CG 4.35Å; S531-L533 VanDerWaalsContact C-N 3.28Å; S531-L533 WeakPolarHBondContact OG-CB 3.23Å; S531-L533 PolarHBondContact OG-N 3.18Å; L533-M535 VanDerWaalsContact C-N 3.33Å; L533-M535 PolarHBondContact O-N 2.89Å; L533-L536 WeakPolarHBondContact O-CB 3.48Å; L533-L536 PolarHBondContact O-N 3.47Å; L533-L536 VanDerWaalsContact O-N 3.15Å; L533-R537 PolarHBondContact O-N 3.49Å |
| 534 | D | 92.8 | Very high | 91.4 | Very high | 50 Ų | 50 | 50.8 Ų | 50.8 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -72.8 | -29.5 | -179.6 | -53.8 | -50.7 | 0 | 0 | 0 | 112.1 | S531 R537 H538 | S531-D534 WeakPolarHBondContact CB-OD2 3.46Å; S531-D534 PolarHBondContact N-OD2 2.82Å; S531-D534 VanDerWaalsContact OG-CG 3.23Å; S531-D534 PolarHBondContact OG-N 3.11Å; S531-D534 VanDerWaalsContact OG-N 3.1Å; S531-D534 PolarHBondContact OG-OD2 3.26Å; D534-R537 PolarHBondContact O-N 3.28Å; D534-R537 IonicContact OD1-CZ 2.78Å; D534-R537 IonicContact OD1-NH1 3.04Å; D534-R537 PolarHBondContact OD1-NH1 2.97Å; D534-H538 VanDerWaalsContact O-CB 3.28Å; D534-H538 WeakPolarHBondContact O-CB 3.33Å; D534-H538 PolarHBondContact O-N 3.46Å |
| 535 | M | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 167.6 | -178.6 | -83.5 | -58.8 | 0 | 0 | 111.5 | I489 L501 L514 C522 V524 F529 S531 V532 L533 F539 | I489-M535 HydrophobicContact CD1-CE 3.92Å; L501-M535 HydrophobicContact CD2-SD 4.23Å; L514-M535 HydrophobicContact CD1-CE 3.9Å; L514-M535 HydrophobicContact CD2-CE 4.02Å; L514-M535 HydrophobicContact CD2-SD 4.35Å; C522-M535 HydrophobicContact CB-CB 4.42Å; V524-M535 HydrophobicContact CG2-CG 3.91Å; F529-M535 HydrophobicContact CB-CB 4.01Å; F529-M535 HydrophobicContact CD1-CB 4.32Å; F529-M535 HydrophobicContact CD2-CB 3.52Å; F529-M535 HydrophobicContact CD2-CG 3.61Å; F529-M535 HydrophobicContact CE2-CB 4.03Å; F529-M535 HydrophobicContact CE2-CG 3.69Å; F529-M535 HydrophobicContact CG-CB 3.68Å; F529-M535 HydrophobicContact CG-CG 4.27Å; F529-M535 HydrophobicContact CZ-CG 4.43Å; S531-M535 PolarHBondContact O-N 3.08Å; V532-M535 HydrophobicContact CG1-CE 3.77Å; V532-M535 WeakPolarHBondContact O-CB 3.29Å; V532-M535 PolarHBondContact O-N 2.92Å; L533-M535 VanDerWaalsContact C-N 3.33Å; L533-M535 PolarHBondContact O-N 2.89Å; M535-F539 HydrophobicContact CG-CD2 3.93Å; M535-F539 HydrophobicContact CG-CE2 3.74Å; M535-F539 WeakPolarHBondContact O-CD2 3.44Å; M535-F539 PolarHBondContact O-N 2.72Å; M535-F539 HydrophobicContact SD-CD2 3.52Å; M535-F539 VanDerWaalsContact SD-CD2 3.52Å; M535-F539 HydrophobicContact SD-CE2 3.74Å |
| 536 | L | 94.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.3 | -44.6 | 174.1 | -67.6 | 177.6 | 0 | 0 | 0 | 112.4 | L420 W462 F487 I489 V532 L533 H538 F539 H540 L556 | L420-L536 HydrophobicContact CD2-CB 4.42Å; W462-L536 HydrophobicContact CD2-CD1 3.92Å; W462-L536 VanDerWaalsContact CE2-CD1 3.46Å; W462-L536 HydrophobicContact CG-CD1 4.31Å; W462-L536 HydrophobicContact CH2-CD1 4.39Å; W462-L536 HydrophobicContact CZ2-CD1 3.71Å; F487-L536 HydrophobicContact CD2-CD2 4.42Å; F487-L536 HydrophobicContact CE1-CD2 4.5Å; F487-L536 HydrophobicContact CE2-CD1 4.37Å; F487-L536 HydrophobicContact CE2-CD2 3.61Å; F487-L536 HydrophobicContact CZ-CD1 4.33Å; F487-L536 HydrophobicContact CZ-CD2 3.66Å; I489-L536 HydrophobicContact CD1-CD1 4.48Å; I489-L536 HydrophobicContact CD1-CD2 4.15Å; V532-L536 WeakPolarHBondContact O-CG 3.43Å; V532-L536 PolarHBondContact O-N 3.44Å; V532-L536 VanDerWaalsContact O-N 3.08Å; L533-L536 WeakPolarHBondContact O-CB 3.48Å; L533-L536 PolarHBondContact O-N 3.47Å; L533-L536 VanDerWaalsContact O-N 3.15Å; L536-H538 VanDerWaalsContact C-N 3.33Å; L536-H538 PolarHBondContact O-N 2.97Å; L536-F539 PolarHBondContact O-N 3.03Å; L536-H540 WeakPolarHBondContact O-CB 3.48Å; L536-H540 PolarHBondContact O-N 3.09Å; L536-L556 HydrophobicContact CD2-CD1 3.44Å; L536-L556 VanDerWaalsContact CD2-CD1 3.44Å |
| 537 | R | 92.9 | Very high | 90.1 | Very high | 69 Ų | 69 | 54.2 Ų | 54.2 | 26% | 0.26 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56.4 | -46.2 | 173 | -74 | 177 | 168.8 | 124 | 2.4 | 112.1 | L424 E428 L533 D534 H540 T541 | L424-R537 HydrophobicContact CD1-CG 4.15Å; L424-R537 HydrophobicContact CD2-CG 3.76Å; E428-R537 IonicContact OE1-CZ 2.96Å; E428-R537 IonicContact OE1-NE 2.74Å; E428-R537 PolarHBondContact OE1-NE 3.14Å; E428-R537 IonicContact OE1-NH2 3.39Å; E428-R537 PolarHBondContact OE1-NH2 2.84Å; L533-R537 PolarHBondContact O-N 3.49Å; D534-R537 PolarHBondContact O-N 3.28Å; D534-R537 IonicContact OD1-CZ 2.78Å; D534-R537 IonicContact OD1-NH1 3.04Å; D534-R537 PolarHBondContact OD1-NH1 2.97Å; R537-H540 PolarHBondContact O-N 2.99Å; R537-T541 PolarHBondContact O-OG1 3.48Å |
| 538 | H | 93 | Very high | 88.5 | Confident | 55 Ų | 55 | 54.7 Ų | 54.7 | 26% | 0.255 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63 | -51.6 | 179.8 | -177.7 | 71.2 | 0 | 0 | 0 | 110.8 | F529 D534 L536 H540 T541 H542 | F529-H538 HydrophobicContact CD1-CB 4.27Å; F529-H538 HydrophobicContact CE1-CB 3.57Å; F529-H538 AromaticContact CE1-CD2 3.53Å; F529-H538 AromaticContact CE1-CG 3.55Å; F529-H538 HydrophobicContact CZ-CB 4.25Å; F529-H538 AromaticContact CZ-CD2 3.55Å; D534-H538 VanDerWaalsContact O-CB 3.28Å; D534-H538 WeakPolarHBondContact O-CB 3.33Å; D534-H538 PolarHBondContact O-N 3.46Å; L536-H538 VanDerWaalsContact C-N 3.33Å; L536-H538 PolarHBondContact O-N 2.97Å; H538-H540 VanDerWaalsContact C-N 3.28Å; H538-H540 PolarHBondContact O-N 3.09Å; H538-T541 PolarHBondContact O-N 3.22Å; H538-T541 VanDerWaalsContact O-N 3.12Å; H538-T541 PolarHBondContact O-OG1 2.82Å; H538-T541 VanDerWaalsContact O-OG1 3.06Å; H538-H542 AromaticContact CE1-CD2 3.77Å; H538-H542 AromaticContact CE1-CG 3.48Å; H538-H542 VanDerWaalsContact CE1-CG 3.48Å; H538-H542 AromaticContact CE1-ND1 3.79Å; H538-H542 AromaticContact ND1-CG 3.72Å; H538-H542 AromaticContact ND1-ND1 3.55Å; H538-H542 WeakPolarHBondContact O-CB 3.34Å; H538-H542 PolarHBondContact O-N 2.92Å; H538-H542 PolarHBondContact O-ND1 3.04Å |
| 539 | F | 95.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -76.8 | -6.5 | -179.8 | -62.9 | -44.9 | 0 | 0 | 0 | 115.1 | L512 V524 L527 F529 M535 L536 H542 I544 T555 L556 | L512-F539 HydrophobicContact CD2-CE2 4.32Å; V524-F539 HydrophobicContact CG1-CE2 4.26Å; V524-F539 HydrophobicContact CG1-CZ 4.43Å; L527-F539 HydrophobicContact CD1-CE1 3.94Å; L527-F539 HydrophobicContact CD1-CZ 3.88Å; F529-F539 HydrophobicContact CE2-CE2 4.19Å; F529-F539 HydrophobicContact CE2-CZ 4.17Å; F529-F539 HydrophobicContact CZ-CE1 4.49Å; F529-F539 HydrophobicContact CZ-CE2 4.28Å; F529-F539 HydrophobicContact CZ-CZ 4.01Å; M535-F539 HydrophobicContact CG-CD2 3.93Å; M535-F539 HydrophobicContact CG-CE2 3.74Å; M535-F539 WeakPolarHBondContact O-CD2 3.44Å; M535-F539 PolarHBondContact O-N 2.72Å; M535-F539 HydrophobicContact SD-CD2 3.52Å; M535-F539 VanDerWaalsContact SD-CD2 3.52Å; M535-F539 HydrophobicContact SD-CE2 3.74Å; L536-F539 PolarHBondContact O-N 3.03Å; F539-H542 WeakPolarHBondContact CA-O 3.45Å; F539-I544 HydrophobicContact CB-CD1 4.49Å; F539-I544 HydrophobicContact CB-CG1 3.87Å; F539-I544 HydrophobicContact CD1-CB 4.28Å; F539-I544 HydrophobicContact CD1-CG1 3.72Å; F539-I544 HydrophobicContact CD2-CG1 4.16Å; F539-I544 HydrophobicContact CE1-CB 4.43Å; F539-I544 HydrophobicContact CE1-CG1 4.28Å; F539-I544 HydrophobicContact CE1-CG2 4.46Å; F539-I544 HydrophobicContact CG-CG1 3.67Å; F539-T555 CarbonylContact O-C 3.57Å; F539-T555 WeakPolarHBondContact O-CA 3.37Å; F539-T555 VanDerWaalsContact O-CB 3.29Å; F539-T555 WeakPolarHBondContact O-CB 3.37Å; F539-L556 HydrophobicContact CB-CD1 3.88Å; F539-L556 HydrophobicContact CB-CG 3.93Å; F539-L556 PolarHBondContact O-N 3.04Å |
| 540 | H | 94 | Very high | 84.2 | Confident | 47 Ų | 47 | 53.8 Ų | 53.8 | 22% | 0.218 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.9 | -36.4 | 164.1 | -175.8 | -106.4 | 0 | 0 | 0 | 111.6 | L420 L424 L536 R537 H538 T555 L556 | L420-H540 HydrophobicContact CD2-CB 3.96Å; L424-H540 HydrophobicContact CD1-CB 4.25Å; L536-H540 WeakPolarHBondContact O-CB 3.48Å; L536-H540 PolarHBondContact O-N 3.09Å; R537-H540 PolarHBondContact O-N 2.99Å; H538-H540 VanDerWaalsContact C-N 3.28Å; H538-H540 PolarHBondContact O-N 3.09Å; H540-T555 WeakPolarHBondContact O-CB 3.4Å; H540-T555 WeakPolarHBondContact O-CG2 3.41Å; H540-L556 WeakPolarHBondContact CA-O 3.45Å; H540-L556 PolarHBondContact CD2-O 2.89Å |
| 541 | T | 91.6 | Very high | 82.2 | Confident | 93 Ų | 93 | 55 Ų | 55 | 57% | 0.571 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -105.8 | -25.8 | -171.1 | 49 | 0 | 0 | 0 | 0 | 113.8 | R537 H538 | R537-T541 PolarHBondContact O-OG1 3.48Å; H538-T541 PolarHBondContact O-N 3.22Å; H538-T541 VanDerWaalsContact O-N 3.12Å; H538-T541 PolarHBondContact O-OG1 2.82Å; H538-T541 VanDerWaalsContact O-OG1 3.06Å |
| 542 | H | 90.3 | Very high | 80.6 | Confident | 96 Ų | 96 | 54.7 Ų | 54.7 | 44% | 0.444 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -120.1 | 140.1 | -178.2 | -58.9 | 70.5 | 0 | 0 | 0 | 109.7 | H538 F539 | H538-H542 AromaticContact CE1-CD2 3.77Å; H538-H542 AromaticContact CE1-CG 3.48Å; H538-H542 VanDerWaalsContact CE1-CG 3.48Å; H538-H542 AromaticContact CE1-ND1 3.79Å; H538-H542 AromaticContact ND1-CG 3.72Å; H538-H542 AromaticContact ND1-ND1 3.55Å; H538-H542 WeakPolarHBondContact O-CB 3.34Å; H538-H542 PolarHBondContact O-N 2.92Å; H538-H542 PolarHBondContact O-ND1 3.04Å; F539-H542 WeakPolarHBondContact CA-O 3.45Å |
| 543 | P | 90.7 | Very high | 80.2 | Confident | 55 Ų | 55 | 60.4 Ų | 60.4 | 36% | 0.357 | 37% | 0.365 | S | S | . | . | trans | -66 | 139.5 | 179.9 | 26.1 | -33.5 | 0 | 0 | 0 | 112.1 | P545 D553 I554 | P543-P545 WeakPolarHBondContact O-CD 3.49Å; P543-D553 HydrophobicContact CB-CB 3.84Å; P543-D553 WeakPolarHBondContact CB-OD1 3.23Å; P543-D553 HydrophobicContact CG-CB 4.4Å; P543-D553 WeakPolarHBondContact CG-OD1 3.46Å; P543-I554 CarbonylContact C-O 3.51Å; P543-I554 WeakPolarHBondContact CA-O 3.48Å | ||
| 544 | I | 90.5 | Very high | 80.1 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 3% | 0.026 | 36% | 0.359 | C | S | . | . | trans | -64.4 | 122.6 | 172.4 | -55.5 | 171.8 | 0 | 0 | 0 | 108.4 | F503 L512 F539 L546 I554 L556 | F503-I544 HydrophobicContact CD1-CD1 4.41Å; F503-I544 HydrophobicContact CD2-CD1 4.34Å; F503-I544 HydrophobicContact CE1-CD1 4.16Å; F503-I544 HydrophobicContact CE2-CD1 4.09Å; F503-I544 HydrophobicContact CG-CD1 4.49Å; F503-I544 HydrophobicContact CZ-CD1 3.98Å; L512-I544 HydrophobicContact CD2-CG2 3.81Å; F539-I544 HydrophobicContact CB-CD1 4.49Å; F539-I544 HydrophobicContact CB-CG1 3.87Å; F539-I544 HydrophobicContact CD1-CB 4.28Å; F539-I544 HydrophobicContact CD1-CG1 3.72Å; F539-I544 HydrophobicContact CD2-CG1 4.16Å; F539-I544 HydrophobicContact CE1-CB 4.43Å; F539-I544 HydrophobicContact CE1-CG1 4.28Å; F539-I544 HydrophobicContact CE1-CG2 4.46Å; F539-I544 HydrophobicContact CG-CG1 3.67Å; I544-L546 HydrophobicContact CB-CD2 4.41Å; I544-L546 HydrophobicContact CG2-CD2 3.72Å; I544-L546 HydrophobicContact CG2-CG 4.45Å; I544-L546 PolarHBondContact O-N 3.05Å; I544-I554 HydrophobicContact CB-CG2 4.23Å; I544-I554 HydrophobicContact CD1-CG1 4.35Å; I544-I554 PolarHBondContact N-O 3.42Å; I544-L556 HydrophobicContact CD1-CD2 3.85Å; I544-L556 HydrophobicContact CD1-CG 4.21Å | ||
| 545 | P | 83.5 | Confident | 80.2 | Confident | 48 Ų | 48 | 58.2 Ų | 58.2 | 31% | 0.312 | 35% | 0.354 | S | S | . | . | trans | -68.9 | 108.7 | 177.3 | 27.1 | -33.2 | 0 | 0 | 0 | 110.1 | Q525 L527 P543 | Q525-P545 PolarHBondContact NE2-O 3.2Å; L527-P545 HydrophobicContact CD1-CG 4.08Å; P543-P545 WeakPolarHBondContact O-CD 3.49Å | ||
| 546 | L | 79.7 | Confident | 80.3 | Confident | 46 Ų | 46 | 58.2 Ų | 58.2 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | trans | -109.3 | 129.9 | 176.2 | -57.3 | -171.4 | 0 | 0 | 0 | 111 | F503 F505 I544 S548 I554 | F503-L546 HydrophobicContact CE2-CD1 4.28Å; F503-L546 HydrophobicContact CZ-CD1 4.22Å; F503-L546 HydrophobicContact CZ-CD2 4Å; F505-L546 HydrophobicContact CD2-CD1 4.06Å; F505-L546 HydrophobicContact CE2-CD1 4.2Å; F505-L546 HydrophobicContact CG-CD1 4.37Å; I544-L546 HydrophobicContact CB-CD2 4.41Å; I544-L546 HydrophobicContact CG2-CD2 3.72Å; I544-L546 HydrophobicContact CG2-CG 4.45Å; I544-L546 PolarHBondContact O-N 3.05Å; L546-S548 PolarHBondContact O-N 2.85Å; L546-I554 HydrophobicContact CD1-CG2 3.87Å; L546-I554 HydrophobicContact CG-CG2 4.19Å | ||
| 547 | E | 68.1 | Low | 80.3 | Confident | 195 Ų | 195 | 65.6 Ų | 65.6 | 91% | 0.911 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -65.3 | -6.1 | 168.3 | -56.3 | -174.5 | 146.9 | 0 | 0 | 112.9 | G549 | E547-G549 PolarHBondContact O-N 3.48Å; E547-G549 VanDerWaalsContact O-N 3.13Å |
| 548 | S | 55.3 | Low | 80.4 | Confident | 52 Ų | 52 | 63.5 Ų | 63.5 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -78.6 | 85 | 171.4 | -59 | 0 | 0 | 0 | 0 | 110 | K510 L546 G550 | K510-S548 PolarHBondContact NZ-OG 2.9Å; L546-S548 PolarHBondContact O-N 2.85Å; S548-G550 VanDerWaalsContact C-N 3.26Å; S548-G550 PolarHBondContact O-N 3.32Å |
| 549 | G | 45.7 | Very low | 80.5 | Confident | 87 Ų | 87 | 61.5 Ų | 61.5 | 90% | 0.897 | 37% | 0.369 | S | S | * | . | trans | -65.3 | 69.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | E547 | E547-G549 PolarHBondContact O-N 3.48Å; E547-G549 VanDerWaalsContact O-N 3.13Å | ||
| 550 | G | 48.3 | Very low | 80.5 | Confident | 53 Ų | 53 | 61.5 Ų | 61.5 | 55% | 0.546 | 37% | 0.369 | S | S | . | . | trans | -100 | 158.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S548 A552 | S548-G550 VanDerWaalsContact C-N 3.26Å; S548-G550 PolarHBondContact O-N 3.32Å; G550-A552 PolarHBondContact O-N 2.87Å | ||
| 551 | S | 48.8 | Very low | 80.4 | Confident | 135 Ų | 135 | 66 Ų | 66 | 94% | 0.944 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -76.6 | 19.3 | -176.7 | 52.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 552 | A | 59.1 | Low | 80.1 | Confident | 26 Ų | 26 | 62.6 Ų | 62.6 | 22% | 0.215 | 37% | 0.365 | C | S | . | . | trans | -121.2 | 108.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F505 G550 | F505-A552 WeakPolarHBondContact CE2-O 3.49Å; F505-A552 HydrophobicContact CZ-CB 4.35Å; G550-A552 PolarHBondContact O-N 2.87Å | ||
| 553 | D | 82.5 | Confident | 79.1 | Confident | 130 Ų | 130 | 64.7 Ų | 64.7 | 70% | 0.695 | 38% | 0.375 | S | S | * | . | trans | -58.5 | 136.9 | 166.3 | -72.6 | -48.4 | 0 | 0 | 0 | 111.1 | P543 | P543-D553 HydrophobicContact CB-CB 3.84Å; P543-D553 WeakPolarHBondContact CB-OD1 3.23Å; P543-D553 HydrophobicContact CG-CB 4.4Å; P543-D553 WeakPolarHBondContact CG-OD1 3.46Å | ||
| 554 | I | 91.4 | Very high | 77.5 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.015 | 39% | 0.385 | C | S | . | . | trans | -125.1 | 109.1 | -176.6 | 167.2 | 64.6 | 0 | 0 | 0 | 110.1 | H484 F503 F505 P543 I544 L546 | H484-I554 VanDerWaalsContact NE2-CD1 3.27Å; H484-I554 WeakPolarHBondContact NE2-CD1 3.46Å; F503-I554 HydrophobicContact CD2-CD1 4.2Å; F503-I554 HydrophobicContact CD2-CG1 4Å; F503-I554 HydrophobicContact CE2-CD1 4.47Å; F503-I554 HydrophobicContact CE2-CG1 3.82Å; F505-I554 HydrophobicContact CD2-CB 3.65Å; F505-I554 HydrophobicContact CD2-CD1 4.35Å; F505-I554 HydrophobicContact CD2-CG1 3.93Å; F505-I554 HydrophobicContact CD2-CG2 3.78Å; F505-I554 HydrophobicContact CE2-CB 3.79Å; F505-I554 HydrophobicContact CE2-CG2 3.71Å; P543-I554 CarbonylContact C-O 3.51Å; P543-I554 WeakPolarHBondContact CA-O 3.48Å; I544-I554 HydrophobicContact CB-CG2 4.23Å; I544-I554 HydrophobicContact CD1-CG1 4.35Å; I544-I554 PolarHBondContact N-O 3.42Å; L546-I554 HydrophobicContact CD1-CG2 3.87Å; L546-I554 HydrophobicContact CG-CG2 4.19Å | ||
| 555 | T | 94.9 | Very high | 75.5 | Confident | 27 Ų | 27 | 70.2 Ų | 70.2 | 17% | 0.166 | 42% | 0.421 | C | S | . | . | trans | -101.1 | 152.5 | 166.9 | 56 | 0 | 0 | 0 | 0 | 111 | G485 F539 H540 | G485-T555 VanDerWaalsContact CA-O 3.27Å; G485-T555 WeakPolarHBondContact CA-O 3.48Å; F539-T555 CarbonylContact O-C 3.57Å; F539-T555 WeakPolarHBondContact O-CA 3.37Å; F539-T555 VanDerWaalsContact O-CB 3.29Å; F539-T555 WeakPolarHBondContact O-CB 3.37Å; H540-T555 WeakPolarHBondContact O-CB 3.4Å; H540-T555 WeakPolarHBondContact O-CG2 3.41Å | ||
| 556 | L | 96.1 | Very high | 73.6 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 44% | 0.442 | C | S | . | . | trans | -72.3 | 128.6 | 167.8 | -59.8 | -178.3 | 0 | 0 | 0 | 108.6 | L420 F487 L501 F503 L536 F539 H540 I544 | L420-L556 HydrophobicContact CD2-CB 3.84Å; F487-L556 HydrophobicContact CB-CD2 4.01Å; F487-L556 HydrophobicContact CD1-CB 3.9Å; F487-L556 HydrophobicContact CD1-CD1 4.28Å; F487-L556 HydrophobicContact CD1-CD2 3.83Å; F487-L556 HydrophobicContact CD1-CG 4.22Å; F487-L556 HydrophobicContact CE1-CB 3.93Å; F487-L556 HydrophobicContact CE1-CD1 4.3Å; F487-L556 HydrophobicContact CG-CD2 4.02Å; L501-L556 HydrophobicContact CD1-CD1 4.31Å; L501-L556 HydrophobicContact CD1-CD2 4.44Å; L501-L556 HydrophobicContact CD2-CD1 4.03Å; L501-L556 HydrophobicContact CD2-CD2 4.28Å; F503-L556 HydrophobicContact CB-CD2 4.21Å; L536-L556 HydrophobicContact CD2-CD1 3.44Å; L536-L556 VanDerWaalsContact CD2-CD1 3.44Å; F539-L556 HydrophobicContact CB-CD1 3.88Å; F539-L556 HydrophobicContact CB-CG 3.93Å; F539-L556 PolarHBondContact O-N 3.04Å; H540-L556 WeakPolarHBondContact CA-O 3.45Å; H540-L556 PolarHBondContact CD2-O 2.89Å; I544-L556 HydrophobicContact CD1-CD2 3.85Å; I544-L556 HydrophobicContact CD1-CG 4.21Å | ||
| 557 | R | 94.6 | Very high | 71.7 | Confident | 154 Ų | 154 | 77 Ų | 77 | 58% | 0.581 | 47% | 0.468 | S | S | * | . | trans | -121.6 | -35.7 | -172.9 | -69.1 | -178 | 175 | -118.1 | -1.8 | 113.2 | L420 G485 | L420-R557 PolarHBondContact N-O 2.89Å; G485-R557 PolarHBondContact O-N 2.9Å | ||
| 558 | S | 95.4 | Very high | 70.5 | Confident | 26 Ų | 26 | 76.3 Ų | 76.3 | 18% | 0.182 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 158.4 | -178 | 51.4 | 0 | 0 | 0 | 0 | 110.6 | V418 G485 L486 F487 | V418-S558 CarbonylContact O-C 3.56Å; V418-S558 WeakPolarHBondContact O-CA 3.44Å; V418-S558 WeakPolarHBondContact O-CB 3.07Å; G485-S558 PolarHBondContact O-N 3.1Å; L486-S558 CarbonylContact C-O 2.99Å; L486-S558 VanDerWaalsContact CA-O 3.26Å; L486-S558 WeakPolarHBondContact CA-O 3.38Å; L486-S558 WeakPolarHBondContact CD1-OG 3.22Å; F487-S558 WeakPolarHBondContact CD1-O 3.46Å; F487-S558 WeakPolarHBondContact CE1-O 3.49Å; F487-S558 PolarHBondContact N-O 3.08Å |
| 559 | Y | 95.8 | Very high | 70.3 | Confident | 13 Ų | 13 | 79.6 Ų | 79.6 | 5% | 0.051 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 151 | 174.8 | 61.5 | -87.2 | 0 | 0 | 0 | 111.1 | H417 V418 F423 P461 W462 F487 R561 | H417-Y559 WeakPolarHBondContact CA-O 3.14Å; V418-Y559 HydrophobicContact CB-CD1 4.27Å; V418-Y559 HydrophobicContact CB-CD2 4.36Å; V418-Y559 HydrophobicContact CB-CE1 3.76Å; V418-Y559 HydrophobicContact CB-CE2 3.87Å; V418-Y559 HydrophobicContact CG1-CE1 3.84Å; V418-Y559 HydrophobicContact CG1-CE2 4.45Å; V418-Y559 WeakPolarHBondContact CG1-OH 3.26Å; V418-Y559 HydrophobicContact CG2-CE2 4.11Å; V418-Y559 PolarHBondContact N-O 3.15Å; V418-Y559 WeakPolarHBondContact O-CD1 3.08Å; V418-Y559 PolarHBondContact O-N 2.8Å; F423-Y559 HydrophobicContact CB-CE1 3.86Å; F423-Y559 HydrophobicContact CG-CE1 4.34Å; P461-Y559 HydrophobicContact CB-CE2 3.88Å; P461-Y559 HydrophobicContact CG-CE2 3.93Å; P461-Y559 WeakPolarHBondContact O-CD2 3.16Å; P461-Y559 WeakPolarHBondContact O-CE2 3.33Å; W462-Y559 HydrophobicContact CB-CD1 4.37Å; W462-Y559 HydrophobicContact CB-CD2 3.69Å; W462-Y559 HydrophobicContact CB-CE2 4.37Å; W462-Y559 HydrophobicContact CB-CG 3.68Å; F487-Y559 VanDerWaalsContact O-CA 3.26Å; F487-Y559 WeakPolarHBondContact O-CA 3.41Å; Y559-R561 HydrophobicContact CE2-CB 4.48Å; Y559-R561 PolarHBondContact O-N 2.92Å |
| 560 | V | 94.5 | Very high | 70.5 | Confident | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.006 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 120.1 | 166.3 | -171.8 | 0 | 0 | 0 | 0 | 106.9 | L415 H464 L475 L486 F487 V488 A562 | L415-V560 HydrophobicContact CB-CG1 4.4Å; L415-V560 HydrophobicContact CD2-CG1 4.3Å; H464-V560 PolarHBondContact NE2-O 2.87Å; L475-V560 HydrophobicContact CB-CG2 4.21Å; L475-V560 HydrophobicContact CD1-CG1 4.43Å; L475-V560 HydrophobicContact CD2-CG1 4.46Å; L486-V560 HydrophobicContact CD1-CG2 3.75Å; L486-V560 HydrophobicContact CD2-CG2 3.94Å; L486-V560 HydrophobicContact CG-CG2 3.92Å; F487-V560 PolarHBondContact O-N 3.4Å; V488-V560 HydrophobicContact CG1-CB 3.69Å; V488-V560 HydrophobicContact CG1-CG2 3.94Å; V560-A562 PolarHBondContact O-N 3.44Å |
| 561 | R | 91.3 | Very high | 70.5 | Confident | 141 Ų | 141 | 82 Ų | 82 | 53% | 0.532 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -61 | 127.4 | 177.5 | -174.9 | 172.3 | -179.3 | 170.1 | 2.1 | 110 | I416 V418 P461 Y559 Q563 | I416-R561 HydrophobicContact CB-CB 4.33Å; I416-R561 PolarHBondContact O-N 2.78Å; V418-R561 HydrophobicContact CG2-CB 4.2Å; P461-R561 HydrophobicContact CB-CG 4.4Å; P461-R561 CarbonylContact O-C 3.58Å; P461-R561 WeakPolarHBondContact O-CA 3.34Å; Y559-R561 HydrophobicContact CE2-CB 4.48Å; Y559-R561 PolarHBondContact O-N 2.92Å; R561-Q563 PolarHBondContact O-N 2.98Å |
| 562 | A | 84.9 | Confident | 70.3 | Confident | 22 Ų | 22 | 79.6 Ų | 79.6 | 18% | 0.182 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 122.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | P461 F463 H464 V560 | P461-A562 PolarHBondContact O-N 3.42Å; F463-A562 WeakPolarHBondContact O-CB 3.46Å; H464-A562 PolarHBondContact NE2-N 3.22Å; V560-A562 PolarHBondContact O-N 3.44Å |
| 563 | Q | 70.6 | Confident | 69.7 | Low | 139 Ų | 139 | 83.9 Ų | 83.9 | 65% | 0.65 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -77.4 | 122.3 | 161.4 | -61.7 | -163.6 | 34.5 | 0 | 0 | 106.4 | E413 R561 | E413-Q563 PolarHBondContact OE1-NE2 3.23Å; R561-Q563 PolarHBondContact O-N 2.98Å |
| 564 | G | 57.4 | Low | 67.8 | Low | 55 Ų | 55 | 83.9 Ų | 83.9 | 57% | 0.567 | 51% | 0.506 | S | S | * | . | trans | -64.4 | 178.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 565 | P | 48.6 | Very low | 65.4 | Low | 122 Ų | 122 | 88.3 Ų | 88.3 | 79% | 0.792 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -50.3 | 137.2 | 166.6 | -22.2 | 33.2 | 0 | 0 | 0 | 109.4 | ||
| 566 | P | 41.9 | Very low | 62.8 | Low | 115 Ų | 115 | 91.5 Ų | 91.5 | 75% | 0.747 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 138.3 | 165.8 | 26.9 | -33.3 | 0 | 0 | 0 | 107.4 | E568 | P566-E568 PolarHBondContact O-N 2.98Š|
| 567 | P | 40.6 | Very low | 60.2 | Low | 121 Ų | 121 | 97.5 Ų | 97.5 | 79% | 0.786 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 136.1 | 176.3 | 24.7 | -33.6 | 0 | 0 | 0 | 108.4 | ||
| 568 | E | 43.1 | Very low | 57.7 | Low | 180 Ų | 180 | 94.4 Ų | 94.4 | 84% | 0.841 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 140.2 | 174.9 | -84.5 | -129.1 | 109.5 | 0 | 0 | 109.4 | P566 G570 | P566-E568 PolarHBondContact O-N 2.98Å; E568-G570 VanDerWaalsContact C-N 3.28Å; E568-G570 PolarHBondContact O-N 3.31Å |
| 569 | P | 50.2 | Low | 55 | Low | 122 Ų | 122 | 99 Ų | 99 | 79% | 0.792 | 65% | 0.648 | S | S | * | * | trans | -65.2 | 93.5 | 176.5 | 27.8 | -33.4 | 0 | 0 | 0 | 108.6 | ||||
| 570 | G | 50.4 | Low | 52.3 | Low | 55 Ų | 55 | 104.1 Ų | 104.1 | 57% | 0.567 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 148.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | E568 A572 | E568-G570 VanDerWaalsContact C-N 3.28Å; E568-G570 PolarHBondContact O-N 3.31Å; G570-A572 PolarHBondContact O-N 2.75Å; G570-A572 VanDerWaalsContact O-N 3.08Å |
| 571 | P | 49.2 | Very low | 49.7 | Very low | 134 Ų | 134 | 109.2 Ų | 109.2 | 87% | 0.87 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 119.8 | -166.5 | 19.4 | -32.8 | 0 | 0 | 0 | 111.1 | ||
| 572 | A | 43.4 | Very low | 46.9 | Very low | 85 Ų | 85 | 106.9 Ų | 106.9 | 70% | 0.702 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 140 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | G570 | G570-A572 PolarHBondContact O-N 2.75Å; G570-A572 VanDerWaalsContact O-N 3.08Å |
| 573 | P | 47.2 | Very low | 44.3 | Very low | 117 Ų | 117 | 117.4 Ų | 117.4 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 138.8 | 177.6 | 25 | -34 | 0 | 0 | 0 | 109.9 | A575 | P573-A575 PolarHBondContact O-N 3.08Š|
| 574 | P | 42.6 | Very low | 42.5 | Very low | 129 Ų | 129 | 116.1 Ų | 116.1 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 129.5 | -170.8 | 23.5 | -33.8 | 0 | 0 | 0 | 111.1 | A576 | P574-A576 PolarHBondContact O-N 3.31Š|
| 575 | A | 41.8 | Very low | 41 | Very low | 97 Ų | 97 | 120.7 Ų | 120.7 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 131.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P573 | P573-A575 PolarHBondContact O-N 3.08Š|
| 576 | A | 39.9 | Very low | 41.2 | Very low | 93 Ų | 93 | 119.6 Ų | 119.6 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 140.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | P574 | P574-A576 PolarHBondContact O-N 3.31Š|
| 577 | P | 40.3 | Very low | 41.5 | Very low | 126 Ų | 126 | 120.4 Ų | 120.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 143.3 | -172.3 | 28.3 | -35.4 | 0 | 0 | 0 | 112.5 | ||
| 578 | A | 42.7 | Very low | 41.1 | Very low | 90 Ų | 90 | 117.9 Ų | 117.9 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 144.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 579 | P | 38.2 | Very low | 40.6 | Very low | 123 Ų | 123 | 118.7 Ų | 118.7 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 146 | 173 | 28.8 | -34.3 | 0 | 0 | 0 | 111.4 | ||
| 580 | P | 39.1 | Very low | 39.8 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 156.3 | -170.6 | 32.6 | -36.9 | 0 | 0 | 0 | 113.8 | ||
| 581 | A | 40.3 | Very low | 39 | Very low | 107 Ų | 107 | 129.1 Ų | 129.1 | 88% | 0.884 | 80% | 0.796 | S | S | * | * | trans | -105.8 | 115.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 582 | C | 31.9 | Very low | 38.1 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 62% | 0.622 | 79% | 0.79 | S | S | * | * | trans | -169.6 | 150.9 | 169.7 | 60.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 583 | W | 30.5 | Very low | 37.4 | Very low | 244 Ų | 244 | 130.2 Ų | 130.2 | 92% | 0.924 | 78% | 0.78 | S | S | * | * | cis | -134.6 | -171.2 | 10.3 | -77.9 | 83.7 | 0 | 0 | 0 | 111 | ||||
| 584 | S | 33.3 | Very low | 36.7 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -106.6 | 141.7 | -166.9 | -38.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 585 | D | 26.1 | Very low | 36.4 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | 76.7 | -171.5 | 135.9 | -139 | 20.7 | 0 | 0 | 0 | 119.1 | ||||
| 586 | P | 52.7 | Low | 36 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | -121.4 | -152.1 | -112.1 | 43.9 | -25.8 | 0 | 0 | 0 | 112.7 | |||||
| 587 | P | 49 | Very low | 35.5 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | cis | -137.2 | -178.2 | -4.9 | 42.5 | -23.9 | 0 | 0 | 0 | 117.2 | ||||
| 588 | G | 30.3 | Very low | 35.1 | Very low | 69 Ų | 69 | 130.2 Ų | 130.2 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -173.8 | 79.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 589 | Q | 32.7 | Very low | 34.5 | Very low | 196 Ų | 196 | 130.8 Ų | 130.8 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | 72.8 | 171.5 | 146.4 | -53.7 | -168.7 | 7.6 | 0 | 0 | 121.7 | ||||
| 590 | H | 34.1 | Very low | 34.1 | Very low | 185 Ų | 185 | 130.9 Ų | 130.9 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | -138.9 | 152.7 | -156.3 | -50.4 | -112 | 0 | 0 | 0 | 115.4 | ||||
| 591 | Y | 33.2 | Very low | 34.7 | Very low | 212 Ų | 212 | 131 Ų | 131 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | -164.3 | 120.3 | 138.1 | -136.7 | -110.7 | 0 | 0 | 0 | 109.4 | ||||
| 592 | F | 30.5 | Very low | 35.3 | Very low | 170 Ų | 170 | 131.3 Ų | 131.3 | 75% | 0.746 | 78% | 0.78 | S | S | * | * | 59.7 | 125.9 | 81 | -120.4 | -116.4 | 0 | 0 | 0 | 114.7 | |||||
| 593 | S | 30.1 | Very low | 35.7 | Very low | 72 Ų | 72 | 131.5 Ų | 131.5 | 50% | 0.503 | 79% | 0.789 | S | S | . | * | cis | -161.5 | 143.6 | -0.5 | -137.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 594 | S | 31.7 | Very low | 35.9 | Very low | 103 Ų | 103 | 125.4 Ų | 125.4 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | 44.5 | 129.6 | 130.1 | -48.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 595 | L | 36.5 | Very low | 36.6 | Very low | 175 Ų | 175 | 126 Ų | 126 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | -161.5 | 149.4 | 110.1 | -106.1 | 170.5 | 0 | 0 | 0 | 113.4 | |||||
| 596 | A | 32.3 | Very low | 37 | Very low | 92 Ų | 92 | 124.5 Ų | 124.5 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | trans | -25.1 | 160.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 597 | A | 30.6 | Very low | 36 | Very low | 97 Ų | 97 | 127.7 Ų | 127.7 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | cis | -158.1 | 177.7 | 18.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 598 | A | 32.2 | Very low | 35.3 | Very low | 95 Ų | 95 | 126.1 Ų | 126.1 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | 80.2 | 95.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 599 | A | 30.3 | Very low | 35.3 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | 69.1 | 122.2 | 144 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 600 | C | 28 | Very low | 35.2 | Very low | 126 Ų | 126 | 122.1 Ų | 122.1 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -163.1 | 178 | 179.3 | -89.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 601 | P | 52.7 | Low | 35.1 | Very low | 121 Ų | 121 | 117.6 Ų | 117.6 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | -115.6 | -94.7 | -77.4 | 18.4 | 3.4 | 0 | 0 | 0 | 117.9 | |||||
| 602 | P | 51.8 | Low | 35 | Very low | 114 Ų | 114 | 113.4 Ų | 113.4 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | -120.6 | -159.5 | -125.6 | 42.3 | -26.9 | 0 | 0 | 0 | 115.7 | |||||
| 603 | A | 41.6 | Very low | 35 | Very low | 97 Ų | 97 | 110.2 Ų | 110.2 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -45 | 152.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 604 | S | 33.6 | Very low | 35.1 | Very low | 115 Ų | 115 | 111.2 Ų | 111.2 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -143.5 | 161 | 172.5 | -81.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 605 | P | 49.2 | Very low | 35.2 | Very low | 125 Ų | 125 | 111.9 Ų | 111.9 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -109 | -173.6 | -131.5 | 40.7 | -38.1 | 0 | 0 | 0 | 116.3 | ||||
| 606 | S | 34.5 | Very low | 35 | Very low | 120 Ų | 120 | 108.1 Ų | 108.1 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -49.7 | 154.3 | -179.2 | -38.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 607 | D | 31 | Very low | 35.1 | Very low | 166 Ų | 166 | 109.7 Ų | 109.7 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -152.1 | 167.8 | 145.9 | -145.3 | -21.6 | 0 | 0 | 0 | 112 | ||||
| 608 | A | 33.9 | Very low | 35.1 | Very low | 97 Ų | 97 | 110.4 Ų | 110.4 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | 65.3 | 128.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 609 | A | 31.7 | Very low | 35.2 | Very low | 106 Ų | 106 | 110.9 Ų | 110.9 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | trans | -136.1 | 156.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 610 | G | 29.8 | Very low | 35.7 | Very low | 76 Ų | 76 | 112.2 Ų | 112.2 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | 83.4 | 168.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 611 | A | 31.3 | Very low | 36 | Very low | 90 Ų | 90 | 110.8 Ų | 110.8 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | cis | -174.1 | 140.1 | -22.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 612 | S | 31.4 | Very low | 35.1 | Very low | 124 Ų | 124 | 109.7 Ų | 109.7 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | 63.6 | 148.2 | 164 | -53.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 613 | S | 31.5 | Very low | 34.1 | Very low | 102 Ų | 102 | 110.3 Ų | 110.3 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | cis | -162.2 | 169.2 | 28.3 | 49.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 614 | S | 32.4 | Very low | 33.6 | Very low | 94 Ų | 94 | 109.2 Ų | 109.2 | 66% | 0.657 | 81% | 0.807 | S | S | * | * | trans | 48.5 | 102.8 | 152.7 | 52.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 615 | S | 33.9 | Very low | 34.5 | Very low | 116 Ų | 116 | 109.7 Ų | 109.7 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | 69.5 | 140.8 | 84.5 | 78.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 616 | A | 30.7 | Very low | 33.6 | Very low | 97 Ų | 97 | 108.3 Ų | 108.3 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | cis | -152.5 | 180 | 10.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 617 | S | 35.3 | Very low | 34.4 | Very low | 124 Ų | 124 | 107.9 Ų | 107.9 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -59.9 | 147.3 | -177 | -40.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 618 | S | 30.8 | Very low | 34.4 | Very low | 113 Ų | 113 | 107 Ų | 107 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -144.7 | 143.8 | 142.7 | 56.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 619 | S | 34.5 | Very low | 34.3 | Very low | 104 Ų | 104 | 113.7 Ų | 113.7 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | cis | 162.8 | 134 | -30.9 | 46 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 620 | S | 40.9 | Very low | 35.4 | Very low | 129 Ų | 129 | 113.5 Ų | 113.5 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -62.6 | 140.4 | 176.9 | -29.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 621 | A | 34.6 | Very low | 35.5 | Very low | 97 Ų | 97 | 115.8 Ų | 115.8 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -165.4 | 152.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 622 | A | 32.6 | Very low | 35.5 | Very low | 98 Ų | 98 | 120.3 Ų | 120.3 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | cis | -167.3 | -176.3 | -20.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 623 | S | 30.8 | Very low | 35.6 | Very low | 126 Ų | 126 | 117.5 Ų | 117.5 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | trans | -116.3 | 131.1 | 177.5 | -57.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 624 | G | 31.1 | Very low | 36.8 | Very low | 75 Ų | 75 | 118.3 Ų | 118.3 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | 72.5 | -178.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 625 | P | 53.6 | Low | 37 | Very low | 124 Ų | 124 | 122.1 Ų | 122.1 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | cis | -138.9 | 152.6 | -10.5 | 39.4 | -22.4 | 0 | 0 | 0 | 117 | ||||
| 626 | A | 28.5 | Very low | 36.8 | Very low | 97 Ų | 97 | 122.2 Ų | 122.2 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | 59.7 | 174.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 627 | P | 51.7 | Low | 37 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | cis | -128.1 | -168.6 | -46.8 | 32.2 | -13.2 | 0 | 0 | 0 | 113.9 | ||||
| 628 | T | 31.2 | Very low | 37.1 | Very low | 148 Ų | 148 | 126.8 Ų | 126.8 | 91% | 0.908 | 80% | 0.796 | S | S | * | * | trans | 109 | 170.2 | 160.6 | 74.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 629 | R | 33 | Very low | 37 | Very low | 236 Ų | 236 | 125.4 Ų | 125.4 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | -120.3 | -176.8 | -144.5 | -117.9 | 174.4 | 169 | 172 | -5.3 | 110.6 | ||||
| 630 | P | 53.4 | Low | 37 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | cis | -137.4 | -159.6 | -8.4 | 32.9 | -8.2 | 0 | 0 | 0 | 114.2 | ||||
| 631 | V | 32.9 | Very low | 36.6 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | trans | 73.6 | 131.7 | 161.4 | 174.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 632 | E | 31.3 | Very low | 36.4 | Very low | 185 Ų | 185 | 132.2 Ų | 132.2 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | cis | -147.9 | 174.9 | -3.8 | -128.7 | 165.5 | -179.6 | 0 | 0 | 111.2 | ||||
| 633 | G | 33.7 | Very low | 36.3 | Very low | 66 Ų | 66 | 132.6 Ų | 132.6 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | trans | -118.5 | -155.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 634 | P | 56.3 | Low | 36.9 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | cis | -118.7 | -179.7 | -5.5 | 39.1 | -21.2 | 0 | 0 | 0 | 111.8 | ||||
| 635 | L | 35.6 | Very low | 36.8 | Very low | 174 Ų | 174 | 136.7 Ų | 136.7 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | -159.1 | 164.1 | 71.3 | -79.7 | 170.7 | 0 | 0 | 0 | 111.7 | |||||
| 636 | S | 31.3 | Very low | 36.4 | Very low | 117 Ų | 117 | 142 Ų | 142 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -134.4 | -173.5 | -169 | -166.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 637 | V | 35.1 | Very low | 36.7 | Very low | 103 Ų | 103 | 145 Ų | 145 | 62% | 0.624 | 78% | 0.783 | S | S | * | * | trans | 85.7 | 118.8 | -174.3 | 178.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 638 | R | 35.8 | Very low | 35.7 | Very low | 215 Ų | 215 | 146.4 Ų | 146.4 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | cis | -155.3 | -177.6 | -0.8 | -117.9 | 172.4 | -157.1 | 122.2 | 4.2 | 108.2 | ||||
| 639 | S | 29.4 | Very low | 35.5 | Very low | 84 Ų | 84 | 147 Ų | 147 | 59% | 0.587 | 78% | 0.777 | S | S | * | * | cis | -160.9 | 171.2 | 17.7 | -138.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 640 | R | 34.6 | Very low | 35.4 | Very low | 229 Ų | 229 | 139.4 Ų | 139.4 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | 12.6 | 117.3 | 150.7 | -61 | 173.8 | -178.6 | -176.6 | -2.5 | 118.5 | ||||
| 641 | S | 32.3 | Very low | 34.2 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | cis | 61.9 | 132.4 | 10.2 | 179.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 642 | N | 31.2 | Very low | 34 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | cis | -147.5 | -170.4 | 0.5 | -122.5 | 62.1 | 0 | 0 | 0 | 108.8 | ||||
| 643 | S | 30.2 | Very low | 34.1 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | cis | -158.5 | -166 | 11.7 | -142.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 644 | A | 42.1 | Very low | 34 | Very low | 87 Ų | 87 | 137.3 Ų | 137.3 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | trans | -130.6 | 168.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 645 | E | 30 | Very low | 32.9 | Very low | 200 Ų | 200 | 136 Ų | 136 | 94% | 0.935 | 78% | 0.779 | S | S | * | * | trans | 147.4 | 177.9 | 149.8 | -76.6 | -153.8 | 97.8 | 0 | 0 | 115.1 | ||||
| 646 | R | 45.6 | Very low | 32.7 | Very low | 236 Ų | 236 | 132.6 Ų | 132.6 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | trans | -124.2 | -178.8 | -167.6 | -62.4 | -177.1 | 78.5 | -167.4 | 6 | 113.9 | ||||
| 647 | L | 33.7 | Very low | 32.7 | Very low | 158 Ų | 158 | 131 Ų | 131 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | 84.5 | 151.4 | 174.5 | -57 | 169.4 | 0 | 0 | 0 | 114.9 | ||||
| 648 | L | 31.8 | Very low | 32.4 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | cis | -100.1 | -137.6 | 0.8 | -69.2 | 159.2 | 0 | 0 | 0 | 110.6 | ||||
| 649 | E | 26.5 | Very low | 32 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | cis | -158.8 | 172.5 | -1.2 | -167.5 | 44.7 | 88.6 | 0 | 0 | 110.7 | ||||
| 650 | A | 31 | Very low | 32.7 | Very low | 78 Ų | 78 | 133.7 Ų | 133.7 | 65% | 0.645 | 78% | 0.784 | S | S | * | * | trans | -127.6 | 170.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 651 | V | 28.9 | Very low | 32.3 | Very low | 139 Ų | 139 | 130.9 Ų | 130.9 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | 174 | 138.8 | 132.1 | 149.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 652 | A | 28.6 | Very low | 32.1 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | 59.9 | 125.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 653 | A | 32.6 | Very low | 31.8 | Very low | 102 Ų | 102 | 132 Ų | 132 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | cis | 90.1 | 134.4 | 25.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 654 | A | 32.8 | Very low | 32 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | cis | -166.2 | -174.1 | -17.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 655 | A | 31.8 | Very low | 32.1 | Very low | 91 Ų | 91 | 133.6 Ų | 133.6 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | cis | -162.5 | -176.8 | 3.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 656 | A | 31.4 | Very low | 32.1 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | 69.2 | 143.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 657 | A | 31 | Very low | 31.5 | Very low | 84 Ų | 84 | 127.8 Ų | 127.8 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | cis | -163.9 | 162.8 | -14.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 658 | E | 29.5 | Very low | 31.6 | Very low | 184 Ų | 184 | 125 Ų | 125 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | 59.2 | 154.2 | 163.8 | -52.6 | -44.9 | 91.1 | 0 | 0 | 124.3 | ||||
| 659 | E | 27.3 | Very low | 31.9 | Very low | 173 Ų | 173 | 129 Ų | 129 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | -116.9 | -177.2 | 171.3 | -92.5 | -89.7 | 146 | 0 | 0 | 108.2 | ||||
| 660 | P | 44 | Very low | 32.3 | Very low | 101 Ų | 101 | 126.3 Ų | 126.3 | 66% | 0.656 | 80% | 0.796 | S | S | * | * | cis | -136.4 | -173.1 | 3 | 42.4 | -24 | 0 | 0 | 0 | 116.3 | ||||
| 661 | Q | 27.1 | Very low | 32.3 | Very low | 169 Ų | 169 | 128.2 Ų | 128.2 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | 59.8 | 124.3 | 140.5 | -177.1 | -179.1 | -20.6 | 0 | 0 | 122.4 | ||||
| 662 | E | 26.7 | Very low | 32.5 | Very low | 178 Ų | 178 | 130.3 Ų | 130.3 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -178.6 | 173.4 | 134.7 | -103.3 | -81.6 | 48.2 | 0 | 0 | 112.9 | ||||
| 663 | A | 26.4 | Very low | 32.5 | Very low | 90 Ų | 90 | 132.3 Ų | 132.3 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | -108.7 | -166.5 | -159.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 664 | A | 34.4 | Very low | 32.6 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | -63.4 | -180 | -175 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 665 | P | 43.7 | Very low | 32.6 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | cis | -130 | -177.8 | 11.1 | 38.3 | -17.9 | 0 | 0 | 0 | 114.7 | ||||
| 666 | G | 29.6 | Very low | 32.7 | Very low | 72 Ų | 72 | 141 Ų | 141 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | cis | 134 | 66.3 | 2.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A668 | G666-A668 PolarHBondContact O-N 3.4Š| ||
| 667 | R | 32.9 | Very low | 32.8 | Very low | 242 Ų | 242 | 144.2 Ų | 144.2 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | trans | -83.4 | 92 | -176.2 | -170.9 | 176.6 | -177.2 | 176.7 | 1.7 | 112 | ||||
| 668 | A | 35.3 | Very low | 33.2 | Very low | 98 Ų | 98 | 154.4 Ų | 154.4 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -59.9 | 144.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G666 | G666-A668 PolarHBondContact O-N 3.4Š| ||
| 669 | R | 38.1 | Very low | 33.3 | Very low | 227 Ų | 227 | 153 Ų | 153 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | trans | -110.8 | 137.3 | 169 | -67.1 | -179.5 | 174.5 | 93.4 | -6.7 | 108.4 | ||||
| 670 | A | 34.3 | Very low | 33.6 | Very low | 102 Ų | 102 | 151.9 Ų | 151.9 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -71.8 | 132.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 671 | V | 32.9 | Very low | 33.1 | Very low | 119 Ų | 119 | 154.7 Ų | 154.7 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | trans | -114.1 | 130.2 | 172.9 | 178.1 | 0 | 0 | 0 | 0 | 107.8 | N673 | V671-N673 WeakPolarHBondContact CG1-OD1 3.29Š| ||
| 672 | E | 31.8 | Very low | 33.4 | Very low | 183 Ų | 183 | 153.9 Ų | 153.9 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | trans | -99 | 92.5 | 177.9 | -176.1 | 161.8 | -140.4 | 0 | 0 | 109.7 | ||||
| 673 | N | 28.3 | Very low | 33.8 | Very low | 133 Ų | 133 | 152.4 Ų | 152.4 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | trans | -91.4 | 114.3 | 172.6 | -77.7 | -8.7 | 0 | 0 | 0 | 110 | V671 | V671-N673 WeakPolarHBondContact CG1-OD1 3.29Š| ||
| 674 | Q | 35 | Very low | 34.3 | Very low | 173 Ų | 173 | 156.5 Ų | 156.5 | 81% | 0.808 | 82% | 0.823 | S | S | * | * | trans | -87.3 | 134.3 | 158.9 | -68.6 | 179.8 | -38.7 | 0 | 0 | 108.7 | ||||
| 675 | Y | 32.2 | Very low | 34.3 | Very low | 193 Ų | 193 | 160.9 Ų | 160.9 | 76% | 0.757 | 83% | 0.826 | S | S | * | * | trans | -132.6 | 122.7 | 163.3 | -105.5 | -83.7 | 0 | 0 | 0 | 108.8 | F677 | Y675-F677 AromaticContact CD1-CE2 3.73Å; Y675-F677 HydrophobicContact CD1-CE2 3.73Å; Y675-F677 HydrophobicContact CD1-CZ 4.18Å; Y675-F677 HydrophobicContact CE1-CE2 4.47Å; Y675-F677 HydrophobicContact CG-CE2 4.47Å | ||
| 676 | S | 35.5 | Very low | 33.6 | Very low | 111 Ų | 111 | 163.2 Ų | 163.2 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | trans | -87.6 | 140.9 | 171.3 | -50.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 677 | F | 33.2 | Very low | 34 | Very low | 169 Ų | 169 | 170.8 Ų | 170.8 | 74% | 0.741 | 83% | 0.83 | S | S | * | * | trans | -140.7 | 157.5 | 161.5 | -81.8 | -71.4 | 0 | 0 | 0 | 110.3 | Y675 | Y675-F677 AromaticContact CD1-CE2 3.73Å; Y675-F677 HydrophobicContact CD1-CE2 3.73Å; Y675-F677 HydrophobicContact CD1-CZ 4.18Å; Y675-F677 HydrophobicContact CE1-CE2 4.47Å; Y675-F677 HydrophobicContact CG-CE2 4.47Å | ||
| 678 | Y | 38.1 | Very low | 34.1 | Very low | 299 Ų | 299 | 164.3 Ų | 164.3 | 100% | 1.173 | 82% | 0.823 | S | S | * | * | trans | -65.5 | 0 | -166.3 | -63.2 | -94.7 | 0 | 0 | 0 | 114.6 |
Retrieved 678 of 678 residues in 1723.4 ms
(Link to these results)