| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.8 | Very low | 42 | Very low | 252 Ų | 252 | 154.6 Ų | 154.6 | 100% | 1.241 | 89% | 0.885 | S | S | * | * | 0 | 113.2 | 0 | -84.6 | 175.4 | 168.1 | 0 | 0 | 108.2 | |||||
| 2 | Q | 38 | Very low | 42.2 | Very low | 196 Ų | 196 | 152.2 Ų | 152.2 | 92% | 0.916 | 88% | 0.879 | S | S | * | * | trans | -104.2 | 137.7 | -179.1 | -88.2 | 168.1 | -3.7 | 0 | 0 | 110.7 | ||||
| 3 | A | 39 | Very low | 42 | Very low | 101 Ų | 101 | 156.3 Ų | 156.3 | 84% | 0.835 | 88% | 0.88 | S | S | * | * | trans | 31.3 | 132.8 | 145.6 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 4 | R | 38 | Very low | 41.8 | Very low | 257 Ų | 257 | 154.4 Ų | 154.4 | 97% | 0.97 | 88% | 0.877 | S | S | * | * | trans | -117.7 | 127.3 | 151 | -90.4 | -174.4 | 165.2 | -172.2 | -3.8 | 109.4 | ||||
| 5 | A | 45.7 | Very low | 41.6 | Very low | 104 Ų | 104 | 150.6 Ų | 150.6 | 86% | 0.86 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 142.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 6 | G | 39.1 | Very low | 41.1 | Very low | 75 Ų | 75 | 153 Ų | 153 | 77% | 0.773 | 88% | 0.876 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 165.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 7 | Y | 43.7 | Very low | 40.7 | Very low | 237 Ų | 237 | 156.6 Ų | 156.6 | 93% | 0.929 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 152.9 | 173.1 | -80.1 | -92.1 | 0 | 0 | 0 | 112.8 | ||
| 8 | P | 45.7 | Very low | 40.3 | Very low | 115 Ų | 115 | 156.9 Ų | 156.9 | 75% | 0.747 | 87% | 0.868 | S | S | * | * | trans | -118.2 | 167.9 | 154.3 | 36.1 | -24 | 0 | 0 | 0 | 113.9 | ||||
| 9 | P | 48.3 | Very low | 39.8 | Very low | 128 Ų | 128 | 153.1 Ų | 153.1 | 83% | 0.831 | 86% | 0.859 | S | S | * | * | trans | -106.7 | -179.1 | -159.9 | 40.3 | -31.4 | 0 | 0 | 0 | 116.2 | ||||
| 10 | V | 42.8 | Very low | 39.4 | Very low | 145 Ų | 145 | 150.8 Ų | 150.8 | 88% | 0.879 | 86% | 0.86 | S | S | * | * | trans | -59.7 | 149.9 | -171.7 | -178.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 11 | A | 42.6 | Very low | 38.9 | Very low | 91 Ų | 91 | 147.7 Ų | 147.7 | 75% | 0.752 | 86% | 0.861 | S | S | * | * | trans | -129.4 | 158.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 12 | P | 44.9 | Very low | 38.4 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 81% | 0.812 | 84% | 0.841 | S | S | * | * | trans | -104.2 | 170.1 | -150.1 | 39 | -33.5 | 0 | 0 | 0 | 116.6 | ||||
| 13 | K | 39.7 | Very low | 38.2 | Very low | 206 Ų | 206 | 135.3 Ų | 135.3 | 90% | 0.896 | 84% | 0.84 | S | S | * | * | trans | -76.4 | 157.9 | 171.7 | -71.4 | 179 | 175.7 | 176.3 | 0 | 112.9 | ||||
| 14 | P | 38.9 | Very low | 37.8 | Very low | 130 Ų | 130 | 134 Ų | 134 | 84% | 0.844 | 84% | 0.836 | S | S | * | * | trans | -121.9 | 158.8 | 145.2 | 35 | -22.7 | 0 | 0 | 0 | 113.4 | ||||
| 15 | A | 38.5 | Very low | 38 | Very low | 97 Ų | 97 | 128.1 Ų | 128.1 | 80% | 0.802 | 83% | 0.832 | S | S | * | * | trans | -134.2 | 144.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 16 | M | 34.4 | Very low | 37.4 | Very low | 189 Ų | 189 | 132.3 Ų | 132.3 | 93% | 0.931 | 83% | 0.834 | S | S | * | * | trans | 161 | 124.8 | 148.4 | -94.9 | -179 | 169.9 | 0 | 0 | 107.5 | ||||
| 17 | R | 34.1 | Very low | 37 | Very low | 215 Ų | 215 | 138.4 Ų | 138.4 | 81% | 0.811 | 84% | 0.842 | S | S | * | * | 86.7 | 131.9 | 51.7 | -103.6 | -165.1 | -177.5 | -153.9 | 1.1 | 115.9 | |||||
| 18 | M | 33 | Very low | 36.4 | Very low | 161 Ų | 161 | 132 Ų | 132 | 79% | 0.793 | 84% | 0.838 | S | S | * | * | trans | 80 | 146.7 | 164.1 | -53.7 | -58.5 | -166 | 0 | 0 | 117.5 | ||||
| 19 | A | 31.7 | Very low | 35.6 | Very low | 85 Ų | 85 | 130.2 Ų | 130.2 | 70% | 0.702 | 84% | 0.84 | S | S | * | * | cis | -175.2 | 158.4 | -18.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 20 | A | 31.7 | Very low | 34.7 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 88% | 0.884 | 85% | 0.845 | S | S | * | * | trans | 69.9 | 124.6 | 147.9 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 21 | G | 28.8 | Very low | 34.1 | Very low | 85 Ų | 85 | 130.2 Ų | 130.2 | 88% | 0.876 | 84% | 0.839 | S | S | * | * | 119.7 | 121.4 | 123.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 22 | G | 29 | Very low | 33.6 | Very low | 80 Ų | 80 | 131.1 Ų | 131.1 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | trans | 133.5 | 94 | 143.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 23 | A | 33 | Very low | 33 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | trans | 43.7 | 135.2 | 137.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 24 | G | 29.9 | Very low | 32.5 | Very low | 73 Ų | 73 | 127.6 Ų | 127.6 | 75% | 0.753 | 84% | 0.836 | S | S | * | * | trans | -70.7 | -167.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 25 | P | 43.8 | Very low | 32 | Very low | 134 Ų | 134 | 127 Ų | 127 | 87% | 0.87 | 83% | 0.83 | S | S | * | * | -135.2 | 163.9 | 74.8 | 33.7 | -17.6 | 0 | 0 | 0 | 116.1 | |||||
| 26 | E | 32.4 | Very low | 31.5 | Very low | 193 Ų | 193 | 131.3 Ų | 131.3 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | -64.3 | 142.7 | 167.8 | -73.7 | 171.9 | 104.2 | 0 | 0 | 112.5 | ||||
| 27 | E | 30.2 | Very low | 31.3 | Very low | 202 Ų | 202 | 132 Ų | 132 | 94% | 0.944 | 83% | 0.833 | S | S | * | * | trans | -151.9 | 146.8 | 133.3 | -128 | -176.7 | -174.4 | 0 | 0 | 111.6 | ||||
| 28 | A | 30.4 | Very low | 31.3 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | trans | -84.2 | 151.9 | -158.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 29 | G | 29.3 | Very low | 31.2 | Very low | 76 Ų | 76 | 132.3 Ų | 132.3 | 78% | 0.784 | 84% | 0.841 | S | S | * | * | trans | -160.2 | 98.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G31 | G29-G31 PolarHBondContact O-N 3.34Š| ||
| 30 | Q | 30.1 | Very low | 31.2 | Very low | 199 Ų | 199 | 133.1 Ų | 133.1 | 93% | 0.93 | 84% | 0.837 | S | S | * | * | trans | -56.7 | 117.5 | -175.8 | -68.2 | 162.2 | -2.3 | 0 | 0 | 113 | ||||
| 31 | G | 29.8 | Very low | 31.1 | Very low | 74 Ų | 74 | 132.8 Ų | 132.8 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | trans | -92.4 | 107.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | G29 | G29-G31 PolarHBondContact O-N 3.34Š| ||
| 32 | S | 32.3 | Very low | 31.1 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | trans | -61.8 | 134.2 | 170.7 | -70.1 | 0 | 0 | 0 | 0 | 110.9 | V34 | S32-V34 PolarHBondContact O-N 3.36Š| ||
| 33 | P | 33.1 | Very low | 31.2 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 77% | 0.766 | 82% | 0.823 | S | S | * | * | trans | -75.7 | 125.2 | 173.1 | 29 | -30 | 0 | 0 | 0 | 110 | V35 | P33-V35 PolarHBondContact O-N 3.32Å; P33-V35 VanDerWaalsContact O-N 3.16Å | ||
| 34 | V | 28.1 | Very low | 31 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | trans | -66.6 | 112.4 | 171.2 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | S32 M36 | S32-V34 PolarHBondContact O-N 3.36Å; V34-M36 PolarHBondContact O-N 2.93Å | ||
| 35 | V | 27.7 | Very low | 31.1 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 72% | 0.715 | 82% | 0.824 | S | S | * | * | trans | -63.5 | 113.2 | 176.1 | 175 | 0 | 0 | 0 | 0 | 109.9 | P33 K37 | P33-V35 PolarHBondContact O-N 3.32Å; P33-V35 VanDerWaalsContact O-N 3.16Å; V35-K37 PolarHBondContact O-N 3.27Å | ||
| 36 | M | 28.9 | Very low | 30.5 | Very low | 187 Ų | 187 | 147 Ų | 147 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -73.5 | 106.2 | 164.1 | -69.8 | -174.6 | 177.7 | 0 | 0 | 108.9 | V34 K38 | V34-M36 PolarHBondContact O-N 2.93Å; M36-K38 PolarHBondContact O-N 3.29Å; M36-K38 VanDerWaalsContact O-N 3.15Å | ||
| 37 | K | 31.1 | Very low | 30.4 | Very low | 203 Ų | 203 | 142.1 Ų | 142.1 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | trans | -69.8 | 105.9 | 168.6 | -81.6 | -179.4 | 174.6 | 178 | 0 | 109.6 | V35 | V35-K37 PolarHBondContact O-N 3.27Š| ||
| 38 | K | 32.3 | Very low | 30.7 | Very low | 197 Ų | 197 | 141.5 Ų | 141.5 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | trans | -81.6 | 139.2 | 155.1 | -106.8 | 179.8 | 175.6 | 176.6 | 0 | 108.7 | M36 | M36-K38 PolarHBondContact O-N 3.29Å; M36-K38 VanDerWaalsContact O-N 3.15Å | ||
| 39 | M | 30.7 | Very low | 31 | Very low | 185 Ų | 185 | 142.4 Ų | 142.4 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | 167.7 | 141.3 | 154.5 | -100.3 | 176.8 | 88.9 | 0 | 0 | 108.2 | ||||
| 40 | V | 31.8 | Very low | 31.1 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 62% | 0.618 | 81% | 0.813 | S | S | * | * | cis | -154.1 | 146.9 | 3.5 | -168.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 41 | P | 30.3 | Very low | 31.2 | Very low | 101 Ų | 101 | 139 Ų | 139 | 66% | 0.656 | 81% | 0.809 | S | S | * | * | trans | -76.3 | 126.8 | 163.7 | 28.9 | -28.5 | 0 | 0 | 0 | 111.3 | H43 | P41-H43 PolarHBondContact O-N 3.05Š| ||
| 42 | V | 29.6 | Very low | 31.4 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 87% | 0.873 | 81% | 0.812 | S | S | * | * | trans | -78.7 | 104.3 | 173.5 | 179 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 43 | H | 30.9 | Very low | 31.4 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | trans | -71.6 | 125.9 | 163.3 | -83.2 | -83.9 | 0 | 0 | 0 | 109.4 | P41 S45 | P41-H43 PolarHBondContact O-N 3.05Å; H43-S45 PolarHBondContact O-N 2.9Å | ||
| 44 | S | 29.1 | Very low | 31.3 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -73.8 | 106 | 167.3 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | R46 | S44-R46 PolarHBondContact O-N 3.49Š| ||
| 45 | S | 30.4 | Very low | 31.4 | Very low | 121 Ų | 121 | 141 Ų | 141 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -83.6 | 99.9 | 167.2 | 38.8 | 0 | 0 | 0 | 0 | 109.1 | H43 | H43-S45 PolarHBondContact O-N 2.9Š| ||
| 46 | R | 32.2 | Very low | 31.7 | Very low | 231 Ų | 231 | 140.5 Ų | 140.5 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 117.6 | 163.8 | -173.8 | 170.8 | 179.8 | 172.7 | 0.4 | 109.3 | S44 | S44-R46 PolarHBondContact O-N 3.49Š|
| 47 | A | 30 | Very low | 31.9 | Very low | 89 Ų | 89 | 140.6 Ų | 140.6 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65 | 134.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 48 | Q | 36.8 | Very low | 31.8 | Very low | 189 Ų | 189 | 140 Ų | 140 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 134.9 | 168.5 | -69.2 | 178.2 | -27.5 | 0 | 0 | 109.4 | ||
| 49 | P | 35.8 | Very low | 31.5 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 127.2 | 159.4 | 27.4 | -23.6 | 0 | 0 | 0 | 109.9 | ||
| 50 | A | 31.8 | Very low | 32.3 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 128.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 51 | A | 32.4 | Very low | 32.2 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | -105.6 | 113.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 52 | S | 34.9 | Very low | 32.2 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | trans | -61.9 | 133.5 | 176.7 | -33.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 53 | A | 31.1 | Very low | 32.2 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -73.7 | 134.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 54 | A | 31.7 | Very low | 32.2 | Very low | 103 Ų | 103 | 129 Ų | 129 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | trans | -147.2 | 117.1 | 150.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 55 | L | 31 | Very low | 32.3 | Very low | 162 Ų | 162 | 129 Ų | 129 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | trans | -70.6 | 147.9 | 170.2 | -81.7 | 89.6 | 0 | 0 | 0 | 111.5 | ||||
| 56 | S | 32.3 | Very low | 32.2 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | 146.4 | 149.3 | 133.3 | 52.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 57 | Q | 33.1 | Very low | 32 | Very low | 188 Ų | 188 | 118 Ų | 118 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | cis | -161.5 | 150.6 | -20.7 | -104.9 | -176.4 | 59 | 0 | 0 | 104.6 | ||||
| 58 | Q | 29.5 | Very low | 32.1 | Very low | 192 Ų | 192 | 124 Ų | 124 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -82.4 | 152 | 166.4 | -74.6 | 171.6 | -4.4 | 0 | 0 | 110.3 | ||||
| 59 | G | 26.9 | Very low | 31.8 | Very low | 73 Ų | 73 | 119.4 Ų | 119.4 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -68.7 | -146.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 60 | P | 45.8 | Very low | 31.6 | Very low | 122 Ų | 122 | 117.7 Ų | 117.7 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | cis | -142.1 | -168.1 | 2.3 | 32.8 | -6.9 | 0 | 0 | 0 | 116.2 | ||||
| 61 | V | 30.3 | Very low | 31.6 | Very low | 134 Ų | 134 | 120.5 Ų | 120.5 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | 84.7 | 128.6 | 151.9 | -137.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 62 | A | 30.2 | Very low | 31.6 | Very low | 97 Ų | 97 | 122.6 Ų | 122.6 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | 102.9 | 129.9 | 134.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 63 | G | 29.9 | Very low | 31.1 | Very low | 79 Ų | 79 | 128 Ų | 128 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | 89.5 | 138.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 64 | D | 30.8 | Very low | 31.1 | Very low | 156 Ų | 156 | 127.2 Ų | 127.2 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | cis | -166.3 | 169.3 | 8.7 | -168.8 | 26.6 | 0 | 0 | 0 | 108.8 | ||||
| 65 | V | 30.8 | Very low | 31.8 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -38.1 | 144.3 | -174.8 | 170.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 66 | G | 29 | Very low | 32.9 | Very low | 68 Ų | 68 | 126 Ų | 126 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | 77.8 | 139.3 | 133.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 67 | G | 29.1 | Very low | 32.8 | Very low | 52 Ų | 52 | 125.2 Ų | 125.2 | 54% | 0.536 | 77% | 0.766 | S | S | . | * | cis | 172.1 | 174.7 | 4.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 68 | Y | 30.7 | Very low | 32.9 | Very low | 214 Ų | 214 | 123 Ų | 123 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | 71.4 | 104.7 | 157.5 | -24.1 | -71.7 | 0 | 0 | 0 | 115.8 | ||||
| 69 | A | 31.6 | Very low | 33 | Very low | 94 Ų | 94 | 124.3 Ų | 124.3 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | 77.4 | 135.7 | 92.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 70 | S | 31.1 | Very low | 33.1 | Very low | 88 Ų | 88 | 127.7 Ų | 127.7 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | cis | 176.9 | 149.3 | 15.8 | 29.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 71 | E | 31.7 | Very low | 32.5 | Very low | 160 Ų | 160 | 128.6 Ų | 128.6 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | 66.5 | 150.5 | 140.7 | -69.4 | -177.8 | 123.8 | 0 | 0 | 117.7 | ||||
| 72 | Q | 31.3 | Very low | 32.5 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 67% | 0.673 | 76% | 0.759 | S | S | * | * | cis | -168.5 | 145 | 6.7 | -120.6 | 169.6 | 29.3 | 0 | 0 | 106.3 | ||||
| 73 | R | 26.4 | Very low | 32.6 | Very low | 233 Ų | 233 | 140 Ų | 140 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | 63.4 | 112.8 | 129.7 | -138.5 | 170 | -154.2 | -158.3 | 2.4 | 120.4 | |||||
| 74 | A | 30.8 | Very low | 32.7 | Very low | 84 Ų | 84 | 145.3 Ų | 145.3 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | trans | -32.7 | 171.6 | 147.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 75 | P | 45.3 | Very low | 33.2 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | cis | -155.7 | -145.1 | 35.6 | 50.2 | -25.4 | 0 | 0 | 0 | 114.4 | ||||
| 76 | P | 54.1 | Low | 33.2 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | -127 | 178.7 | -130 | 27 | 1.2 | 0 | 0 | 0 | 114.5 | |||||
| 77 | A | 31.3 | Very low | 33.3 | Very low | 92 Ų | 92 | 143.7 Ų | 143.7 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | trans | 175.6 | 115.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 78 | V | 33.5 | Very low | 33.6 | Very low | 140 Ų | 140 | 152 Ų | 152 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | 59.3 | 115.9 | 70.7 | -161.4 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 79 | R | 32.2 | Very low | 33.9 | Very low | 220 Ų | 220 | 147.3 Ų | 147.3 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | 126.3 | 151.9 | 152.3 | -81.8 | -168.1 | 152.1 | 151.3 | 3.7 | 113.7 | ||||
| 80 | E | 30 | Very low | 34.3 | Very low | 144 Ų | 144 | 149.6 Ų | 149.6 | 67% | 0.673 | 79% | 0.792 | S | S | * | * | cis | -175 | 138.4 | -26.2 | -149.1 | 175.5 | 153.9 | 0 | 0 | 103.8 | ||||
| 81 | D | 31.6 | Very low | 34.9 | Very low | 141 Ų | 141 | 150.8 Ų | 150.8 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | 64 | 152.2 | 145.9 | -127.6 | -26.6 | 0 | 0 | 0 | 124.8 | ||||
| 82 | R | 32.1 | Very low | 35.3 | Very low | 232 Ų | 232 | 148.7 Ų | 148.7 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | trans | 101.3 | 114.4 | 150.9 | -78.9 | -178.3 | 160.2 | -174.6 | -6 | 121.8 | ||||
| 83 | R | 30.8 | Very low | 35.7 | Very low | 238 Ų | 238 | 148 Ų | 148 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | trans | -65.2 | 147.3 | 163.1 | -60.4 | 172.2 | 176.1 | -179.9 | -2.4 | 112.5 | ||||
| 84 | Q | 33.2 | Very low | 36.4 | Very low | 192 Ų | 192 | 148.4 Ų | 148.4 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | 178.1 | 165.8 | 124.5 | -98.8 | -170.1 | 15 | 0 | 0 | 112.4 | |||||
| 85 | P | 40.8 | Very low | 37 | Very low | 112 Ų | 112 | 153.5 Ų | 153.5 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -113.6 | 180 | -136.1 | 43.1 | -35.2 | 0 | 0 | 0 | 116.2 | ||||
| 86 | A | 29.8 | Very low | 36.7 | Very low | 97 Ų | 97 | 156.7 Ų | 156.7 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | trans | 85 | 117.6 | 155.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 87 | A | 32.7 | Very low | 36.3 | Very low | 101 Ų | 101 | 156.3 Ų | 156.3 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | 177.4 | 146.7 | 108.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 88 | Y | 34.8 | Very low | 37.1 | Very low | 225 Ų | 225 | 157.5 Ų | 157.5 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | trans | -60.9 | 136.6 | -175 | -79.4 | -106.7 | 0 | 0 | 0 | 114.2 | ||||
| 89 | S | 35.9 | Very low | 37.4 | Very low | 117 Ų | 117 | 156.5 Ų | 156.5 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -158.3 | 115.3 | 149.7 | -72.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 90 | T | 40.2 | Very low | 37.7 | Very low | 142 Ų | 142 | 150.4 Ų | 150.4 | 87% | 0.871 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 130.3 | -178.6 | 8.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 91 | P | 43.8 | Very low | 38.1 | Very low | 112 Ų | 112 | 151.4 Ų | 151.4 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 158.4 | 161.4 | -0.7 | 21.1 | 0 | 0 | 0 | 112.2 | ||
| 92 | P | 41.4 | Very low | 38.9 | Very low | 117 Ų | 117 | 153.1 Ų | 153.1 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 168.9 | -173.2 | 34.1 | -35.9 | 0 | 0 | 0 | 112.5 | R94 | P92-R94 PolarHBondContact O-N 3.36Š|
| 93 | P | 39.2 | Very low | 39.5 | Very low | 130 Ų | 130 | 150.9 Ų | 150.9 | 84% | 0.844 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 123.8 | -152.4 | 29.3 | -32.3 | 0 | 0 | 0 | 112.4 | ||
| 94 | R | 41.1 | Very low | 39.9 | Very low | 241 Ų | 241 | 148.9 Ų | 148.9 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 128.5 | 159.2 | -87.1 | -179.3 | 173.2 | -176.1 | -2.6 | 108.5 | P92 Q96 | P92-R94 PolarHBondContact O-N 3.36Å; R94-Q96 PolarHBondContact O-N 2.82Å |
| 95 | Q | 44 | Very low | 40.6 | Very low | 190 Ų | 190 | 149.5 Ų | 149.5 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 129.4 | 168 | -71 | 169.3 | -7.9 | 0 | 0 | 109.5 | ||
| 96 | Q | 39 | Very low | 40.4 | Very low | 188 Ų | 188 | 147.8 Ų | 147.8 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -61 | 127.4 | 173.6 | -75.8 | 173 | -24.9 | 0 | 0 | 109.1 | R94 | R94-Q96 PolarHBondContact O-N 2.82Š|
| 97 | P | 45 | Very low | 40.7 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 142.1 | 154.7 | 29 | -29.3 | 0 | 0 | 0 | 108 | ||
| 98 | P | 48.9 | Very low | 40.9 | Very low | 117 Ų | 117 | 152.6 Ų | 152.6 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 152.9 | 175.2 | 25.8 | -31.7 | 0 | 0 | 0 | 110.5 | ||
| 99 | P | 39.5 | Very low | 41.1 | Very low | 118 Ų | 118 | 152.1 Ų | 152.1 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 146.7 | -177.7 | 26.2 | -32.1 | 0 | 0 | 0 | 110.7 | D101 | P99-D101 PolarHBondContact O-N 3.26Š|
| 100 | A | 38.3 | Very low | 41.1 | Very low | 93 Ų | 93 | 151.9 Ų | 151.9 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 125.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | E102 | A100-E102 VanDerWaalsContact C-N 3.26Å; A100-E102 PolarHBondContact O-N 2.98Å |
| 101 | D | 37.4 | Very low | 41.1 | Very low | 165 Ų | 165 | 149.6 Ų | 149.6 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -64.7 | 89.5 | 162.9 | -65.3 | -47.2 | 0 | 0 | 0 | 107.9 | P99 | P99-D101 PolarHBondContact O-N 3.26Š| ||
| 102 | E | 48.8 | Very low | 41.1 | Very low | 177 Ų | 177 | 147.6 Ų | 147.6 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -74.2 | 115.2 | 147.1 | -73.3 | -179.2 | 176 | 0 | 0 | 106 | A100 | A100-E102 VanDerWaalsContact C-N 3.26Å; A100-E102 PolarHBondContact O-N 2.98Å | ||
| 103 | E | 44.9 | Very low | 41.2 | Very low | 185 Ų | 185 | 146.2 Ų | 146.2 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | 137 | 77.9 | 159.9 | -73.8 | 176.6 | -156.8 | 0 | 0 | 112.9 | ||||
| 104 | E | 40.2 | Very low | 41.4 | Very low | 195 Ų | 195 | 143.2 Ų | 143.2 | 91% | 0.911 | 75% | 0.753 | S | S | * | * | trans | -135.8 | 58.9 | 145.6 | -78.3 | -161.2 | 165.9 | 0 | 0 | 110 | ||||
| 105 | E | 46.4 | Very low | 41.9 | Very low | 206 Ų | 206 | 134.8 Ų | 134.8 | 96% | 0.963 | 73% | 0.728 | S | S | * | * | trans | -95.1 | 77.9 | 145.1 | -94.4 | -165.6 | 160 | 0 | 0 | 107.2 | ||||
| 106 | A | 36.9 | Very low | 42.7 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 62% | 0.62 | 71% | 0.705 | S | S | * | * | trans | -130.1 | 97.7 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 107 | N | 37 | Very low | 44.5 | Very low | 141 Ų | 141 | 120.3 Ų | 120.3 | 75% | 0.754 | 67% | 0.665 | S | S | * | * | trans | 80.2 | 60.8 | 152 | -49.9 | -48.9 | 0 | 0 | 0 | 118.3 | Y109 | N107-Y109 PolarHBondContact O-N 2.78Š| ||
| 108 | D | 36.7 | Very low | 46.3 | Very low | 158 Ų | 158 | 115.4 Ų | 115.4 | 85% | 0.845 | 64% | 0.635 | S | S | * | * | trans | -86.1 | 55.9 | 149.8 | -162.1 | 30.7 | 0 | 0 | 0 | 110.8 | D110 | D108-D110 VanDerWaalsContact C-N 3.32Å; D108-D110 PolarHBondContact O-N 2.71Å | ||
| 109 | Y | 38.2 | Very low | 48.1 | Very low | 215 Ų | 215 | 110.9 Ų | 110.9 | 84% | 0.843 | 61% | 0.606 | S | S | * | * | trans | -89.2 | 82.4 | 167.3 | -91.8 | -76.7 | 0 | 0 | 0 | 108.6 | N107 S111 | N107-Y109 PolarHBondContact O-N 2.78Å; Y109-S111 VanDerWaalsContact C-N 3.29Å; Y109-S111 PolarHBondContact O-N 3.34Å | ||
| 110 | D | 35.8 | Very low | 50.6 | Low | 113 Ų | 113 | 105.2 Ų | 105.2 | 60% | 0.604 | 57% | 0.569 | S | S | * | * | trans | -56.7 | 85 | 165.1 | -174.4 | 16.6 | 0 | 0 | 0 | 110.7 | D108 | D108-D110 VanDerWaalsContact C-N 3.32Å; D108-D110 PolarHBondContact O-N 2.71Å | ||
| 111 | S | 40.9 | Very low | 53.2 | Low | 93 Ų | 93 | 103.5 Ų | 103.5 | 65% | 0.65 | 55% | 0.545 | S | S | * | . | trans | -100.9 | 103 | 167.2 | -168 | 0 | 0 | 0 | 0 | 108.2 | Y109 | Y109-S111 VanDerWaalsContact C-N 3.29Å; Y109-S111 PolarHBondContact O-N 3.34Å | ||
| 112 | D | 43.3 | Very low | 56 | Low | 70 Ų | 70 | 95.6 Ų | 95.6 | 37% | 0.374 | 50% | 0.503 | S | S | . | . | trans | 134.3 | 22.3 | 144.9 | -62.9 | -4.1 | 0 | 0 | 0 | 117 | A114 | D112-A114 PolarHBondContact O-N 2.88Å; D112-A114 VanDerWaalsContact O-N 3.13Å | ||
| 113 | E | 43.3 | Very low | 58.1 | Low | 89 Ų | 89 | 87.2 Ų | 87.2 | 42% | 0.416 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -15.1 | 171.7 | -75.4 | -131.2 | 111.3 | 0 | 0 | 115 | R179 | E113-R179 VanDerWaalsContact CD-CZ 3.48Å; E113-R179 IonicContact OE1-CZ 2.92Å; E113-R179 IonicContact OE1-NE 2.74Å; E113-R179 IonicContact OE1-NH1 3.36Å; E113-R179 PolarHBondContact OE1-NH1 2.88Å; E113-R179 VanDerWaalsContact OE1-NH1 3.09Å; E113-R179 IonicContact OE1-NH2 2.7Å; E113-R179 PolarHBondContact OE1-NH2 3.04Å; E113-R179 IonicContact OE2-CZ 3.57Å; E113-R179 IonicContact OE2-NH1 3.56Å; E113-R179 PolarHBondContact OE2-NH1 3.13Å; E113-R179 IonicContact OE2-NH2 2.71Å; E113-R179 PolarHBondContact OE2-NH2 3.26Å |
| 114 | A | 43.8 | Very low | 60.5 | Low | 67 Ų | 67 | 78.4 Ų | 78.4 | 55% | 0.554 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -18.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | D112 K144 | D112-A114 PolarHBondContact O-N 2.88Å; D112-A114 VanDerWaalsContact O-N 3.13Å; A114-K144 PolarHBondContact O-NZ 2.74Å |
| 115 | T | 50.6 | Low | 63.1 | Low | 63 Ų | 63 | 71 Ų | 71 | 39% | 0.387 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | -3.4 | -164.5 | 68.3 | 0 | 0 | 0 | 0 | 116.9 | R277 | T115-R277 PolarHBondContact O-NH1 3.39Å; T115-R277 VanDerWaalsContact O-NH1 3.1Å; T115-R277 PolarHBondContact O-NH2 2.84Å; T115-R277 PolarHBondContact OG1-NH1 2.61Å |
| 116 | T | 62.3 | Low | 65.3 | Low | 66 Ų | 66 | 61.5 Ų | 61.5 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | trans | -101.2 | 126.8 | 172.2 | 58.4 | 0 | 0 | 0 | 0 | 109 | G118 | T116-G118 PolarHBondContact O-N 3.26Š| ||
| 117 | L | 75.9 | Confident | 67.9 | Low | 8 Ų | 8 | 59.9 Ų | 59.9 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | trans | -73.6 | -6.7 | 175.6 | -62.7 | -178.6 | 0 | 0 | 0 | 112.5 | K144 I218 L240 E241 R242 | L117-K144 HydrophobicContact CD2-CB 4.37Å; L117-K144 HydrophobicContact CD2-CD 3.85Å; L117-K144 PolarHBondContact O-N 3.3Å; L117-I218 WeakPolarHBondContact CD1-O 3.42Å; L117-I218 VanDerWaalsContact CD2-O 3.28Å; L117-I218 WeakPolarHBondContact CD2-O 3.23Å; L117-I218 WeakPolarHBondContact O-CG2 3.28Å; L117-L240 HydrophobicContact CB-CB 3.91Å; L117-L240 WeakPolarHBondContact CD1-O 3.41Å; L117-E241 VanDerWaalsContact CD1-C 3.45Å; L117-R242 HydrophobicContact CD1-CB 4.22Å; L117-R242 HydrophobicContact CD1-CG 3.44Å; L117-R242 VanDerWaalsContact CD1-CG 3.44Å; L117-R242 VanDerWaalsContact CD1-N 3.35Å; L117-R242 HydrophobicContact CD2-CG 4.25Å; L117-R242 HydrophobicContact CG-CG 4.2Å | ||
| 118 | G | 84.1 | Confident | 70.2 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 9% | 0.093 | 31% | 0.305 | C | S | . | . | trans | 90.9 | 179.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T116 K141 G142 L240 | T116-G118 PolarHBondContact O-N 3.26Å; G118-K141 CarbonylContact C-O 3.56Å; G118-K141 WeakPolarHBondContact CA-O 3.41Å; G118-G142 WeakPolarHBondContact CA-O 3.29Å; G118-G142 PolarHBondContact N-O 3.2Å; G118-L240 PolarHBondContact O-N 2.83Å | ||
| 119 | S | 85.8 | Confident | 72.7 | Confident | 22 Ų | 22 | 57.3 Ų | 57.3 | 15% | 0.154 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 154.7 | 175.5 | 74.2 | 0 | 0 | 0 | 0 | 111.6 | G140 K141 V238 | S119-G140 CarbonylContact O-C 3.53Å; S119-G140 WeakPolarHBondContact O-CA 3.37Å; S119-K141 PolarHBondContact N-O 3.49Å; S119-K141 PolarHBondContact O-N 3.03Å; S119-V238 CarbonylContact C-O 3.49Å; S119-V238 WeakPolarHBondContact CA-O 3.38Å; S119-V238 WeakPolarHBondContact CB-O 3.47Å |
| 120 | L | 92.4 | Very high | 75.1 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127.4 | 177.8 | -177 | 68.3 | 0 | 0 | 0 | 110 | F122 I137 V156 W183 L204 V206 T221 V238 L240 | L120-F122 HydrophobicContact CD2-CD1 3.97Å; L120-F122 HydrophobicContact CD2-CE1 4.34Å; L120-F122 HydrophobicContact CG-CD1 3.95Å; L120-I137 HydrophobicContact CD1-CG2 4.3Å; L120-V156 HydrophobicContact CD1-CG2 4Å; L120-V156 HydrophobicContact CD2-CG1 4.12Å; L120-W183 HydrophobicContact CD1-CE3 4.37Å; L120-W183 HydrophobicContact CD1-CH2 4.19Å; L120-W183 HydrophobicContact CD1-CZ3 3.56Å; L120-L204 HydrophobicContact CD2-CB 4.12Å; L120-L204 HydrophobicContact CD2-CD2 4.06Å; L120-V206 HydrophobicContact CD1-CG2 4.37Å; L120-V206 HydrophobicContact CD2-CG2 4.12Å; L120-T221 HydrophobicContact CD2-CG2 4.42Å; L120-V238 PolarHBondContact N-O 2.8Å; L120-V238 PolarHBondContact O-N 3.06Å; L120-L240 HydrophobicContact CB-CD2 3.94Å; L120-L240 HydrophobicContact CB-CG 4.46Å; L120-L240 HydrophobicContact CD2-CD2 4.49Å |
| 121 | E | 92.1 | Very high | 77.6 | Confident | 56 Ų | 56 | 47.7 Ų | 47.7 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 123.5 | 174.6 | -162.9 | -178.4 | 139.6 | 0 | 0 | 110.2 | L138 K139 F236 N237 | E121-L138 HydrophobicContact CB-CB 4.47Å; E121-L138 HydrophobicContact CG-CD1 4.15Å; E121-L138 WeakPolarHBondContact O-CB 3.02Å; E121-L138 PolarHBondContact O-N 3.17Å; E121-K139 HydrophobicContact CB-CG 3.98Å; E121-K139 PolarHBondContact N-O 3.12Å; E121-K139 PolarHBondContact O-N 3.42Å; E121-K139 WeakPolarHBondContact OE2-CE 3.04Å; E121-K139 IonicContact OE2-NZ 3.06Å; E121-F236 CarbonylContact C-O 3.5Å; E121-F236 VanDerWaalsContact CA-O 3.27Å; E121-F236 WeakPolarHBondContact CA-O 3.24Å; E121-N237 HydrophobicContact CG-CB 4.37Å |
| 122 | F | 95.9 | Very high | 80 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 156.7 | -179 | 64.3 | -83.9 | 0 | 0 | 0 | 112 | L120 L124 S136 I137 L204 T221 V223 F236 V238 | L120-F122 HydrophobicContact CD2-CD1 3.97Å; L120-F122 HydrophobicContact CD2-CE1 4.34Å; L120-F122 HydrophobicContact CG-CD1 3.95Å; F122-L124 HydrophobicContact CD2-CD1 4.5Å; F122-L124 HydrophobicContact CD2-CD2 3.88Å; F122-L124 HydrophobicContact CD2-CG 3.92Å; F122-L124 HydrophobicContact CE2-CD1 3.95Å; F122-L124 HydrophobicContact CE2-CD2 4.11Å; F122-L124 HydrophobicContact CE2-CG 3.87Å; F122-S136 CarbonylContact C-O 3.52Å; F122-S136 WeakPolarHBondContact CA-O 3.28Å; F122-S136 WeakPolarHBondContact CB-O 3.41Å; F122-I137 HydrophobicContact CB-CD1 3.88Å; F122-L204 HydrophobicContact CD1-CD2 4.13Å; F122-L204 HydrophobicContact CD2-CD2 3.95Å; F122-L204 HydrophobicContact CE1-CD1 4.42Å; F122-L204 HydrophobicContact CE1-CD2 4.27Å; F122-L204 HydrophobicContact CE2-CD1 3.96Å; F122-L204 HydrophobicContact CE2-CD2 4.13Å; F122-L204 HydrophobicContact CG-CD2 3.95Å; F122-L204 HydrophobicContact CZ-CD1 3.86Å; F122-L204 HydrophobicContact CZ-CD2 4.28Å; F122-T221 HydrophobicContact CE1-CG2 4.04Å; F122-T221 HydrophobicContact CZ-CG2 4.34Å; F122-V223 HydrophobicContact CE2-CG2 3.99Å; F122-V223 HydrophobicContact CZ-CG2 3.74Å; F122-F236 HydrophobicContact CD1-CB 4.08Å; F122-F236 HydrophobicContact CD2-CB 4.21Å; F122-F236 AromaticContact CD2-CD2 3.99Å; F122-F236 HydrophobicContact CD2-CD2 3.99Å; F122-F236 HydrophobicContact CD2-CG 4.42Å; F122-F236 HydrophobicContact CE1-CB 3.73Å; F122-F236 HydrophobicContact CE1-CG 4.46Å; F122-F236 HydrophobicContact CE2-CB 3.83Å; F122-F236 AromaticContact CE2-CD2 3.55Å; F122-F236 HydrophobicContact CE2-CD2 3.55Å; F122-F236 HydrophobicContact CE2-CE2 4.26Å; F122-F236 AromaticContact CE2-CG 3.79Å; F122-F236 HydrophobicContact CE2-CG 3.79Å; F122-F236 HydrophobicContact CG-CB 4.33Å; F122-F236 HydrophobicContact CZ-CB 3.58Å; F122-F236 HydrophobicContact CZ-CD1 4.49Å; F122-F236 HydrophobicContact CZ-CD2 4.09Å; F122-F236 AromaticContact CZ-CG 3.82Å; F122-F236 HydrophobicContact CZ-CG 3.82Å; F122-F236 PolarHBondContact N-O 3.49Å; F122-F236 PolarHBondContact O-N 3.49Å; F122-V238 HydrophobicContact CE1-CG2 3.69Å; F122-V238 HydrophobicContact CZ-CG2 4.47Å |
| 123 | G | 94 | Very high | 82.4 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 138.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | C135 S136 K234 | G123-C135 CarbonylContact O-C 3.55Å; G123-S136 PolarHBondContact N-O 2.9Å; G123-S136 PolarHBondContact O-N 2.68Å; G123-K234 CarbonylContact C-O 3.53Å; G123-K234 VanDerWaalsContact CA-O 3.32Å; G123-K234 WeakPolarHBondContact CA-O 3.37Å |
| 124 | L | 95 | Very high | 84.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 134.3 | 173.1 | -56.3 | -177.8 | 0 | 0 | 0 | 110 | F122 Q134 C135 L202 V223 L228 K233 K234 F236 | F122-L124 HydrophobicContact CD2-CD1 4.5Å; F122-L124 HydrophobicContact CD2-CD2 3.88Å; F122-L124 HydrophobicContact CD2-CG 3.92Å; F122-L124 HydrophobicContact CE2-CD1 3.95Å; F122-L124 HydrophobicContact CE2-CD2 4.11Å; F122-L124 HydrophobicContact CE2-CG 3.87Å; L124-Q134 WeakPolarHBondContact CA-O 3.28Å; L124-C135 HydrophobicContact CD2-CB 3.93Å; L124-L202 HydrophobicContact CD1-CD2 3.91Å; L124-L202 HydrophobicContact CD2-CD2 3.56Å; L124-L202 HydrophobicContact CG-CD2 4.42Å; L124-V223 HydrophobicContact CD1-CB 4.12Å; L124-V223 HydrophobicContact CD1-CG1 3.87Å; L124-V223 HydrophobicContact CD1-CG2 4.34Å; L124-L228 HydrophobicContact CB-CD1 3.91Å; L124-L228 HydrophobicContact CB-CD2 3.98Å; L124-L228 HydrophobicContact CD1-CD1 3.99Å; L124-L228 HydrophobicContact CD1-CD2 4.18Å; L124-K233 WeakPolarHBondContact O-CA 3.48Å; L124-K234 PolarHBondContact N-O 3.38Å; L124-K234 PolarHBondContact O-N 3.04Å; L124-F236 HydrophobicContact CB-CE2 4.09Å; L124-F236 HydrophobicContact CD1-CD2 4.42Å; L124-F236 HydrophobicContact CD1-CE2 3.82Å; L124-F236 HydrophobicContact CD1-CZ 4.4Å; L124-F236 HydrophobicContact CG-CD2 4.21Å; L124-F236 HydrophobicContact CG-CE2 3.85Å |
| 125 | L | 94.6 | Very high | 87.3 | Confident | 38 Ų | 38 | 35.7 Ų | 35.7 | 20% | 0.199 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 118.6 | 174.1 | 170.8 | 65.5 | 0 | 0 | 0 | 108.4 | Q134 K233 | L125-Q134 HydrophobicContact CB-CB 4.34Å; L125-Q134 PolarHBondContact N-O 3.06Å; L125-Q134 PolarHBondContact O-N 2.79Å; L125-K233 HydrophobicContact CB-CB 4.25Å; L125-K233 HydrophobicContact CB-CG 4.41Å; L125-K233 HydrophobicContact CD1-CB 4.32Å |
| 126 | Y | 92.6 | Very high | 89.5 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 116.5 | 168.5 | 176.8 | -117.3 | 0 | 0 | 0 | 108.5 | Q128 S132 L192 D194 M197 N231 | Y126-Q128 HydrophobicContact CE1-CB 4.11Å; Y126-Q128 HydrophobicContact CE1-CG 4.34Å; Y126-S132 WeakPolarHBondContact CA-O 3.43Å; Y126-L192 HydrophobicContact CE2-CB 4.24Å; Y126-L192 PolarHBondContact OH-O 3.12Å; Y126-D194 PolarHBondContact OH-OD1 3.35Å; Y126-M197 HydrophobicContact CD1-CE 3.88Å; Y126-M197 HydrophobicContact CD1-CG 4.18Å; Y126-M197 HydrophobicContact CD1-SD 4.31Å; Y126-M197 HydrophobicContact CD2-CE 3.99Å; Y126-M197 HydrophobicContact CD2-CG 4.11Å; Y126-M197 HydrophobicContact CD2-SD 3.61Å; Y126-M197 HydrophobicContact CE1-CE 4.48Å; Y126-M197 HydrophobicContact CE1-CG 3.84Å; Y126-M197 HydrophobicContact CE1-SD 4.49Å; Y126-M197 HydrophobicContact CE2-CG 3.76Å; Y126-M197 HydrophobicContact CE2-SD 3.83Å; Y126-M197 HydrophobicContact CG-CE 3.58Å; Y126-M197 HydrophobicContact CG-CG 4.29Å; Y126-M197 HydrophobicContact CG-SD 3.86Å; Y126-N231 WeakPolarHBondContact O-CA 3.33Å; Y126-N231 PolarHBondContact O-N 3.08Å; Y126-N231 PolarHBondContact O-OD1 3.3Å |
| 127 | D | 91.3 | Very high | 91.2 | Very high | 40 Ų | 40 | 30.1 Ų | 30.1 | 21% | 0.214 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 112 | 171.8 | 175.5 | 15.5 | 0 | 0 | 0 | 108.8 | E129 S130 N131 S132 N231 | D127-E129 PolarHBondContact OD1-N 2.65Å; D127-E129 VanDerWaalsContact OD1-N 3.07Å; D127-S130 WeakPolarHBondContact CB-OG 3.42Å; D127-S130 WeakPolarHBondContact OD2-CB 3.45Å; D127-S130 PolarHBondContact OD2-OG 3.09Å; D127-N131 WeakPolarHBondContact O-CA 3.03Å; D127-N131 PolarHBondContact O-N 3.08Å; D127-N131 VanDerWaalsContact O-N 3.11Å; D127-S132 PolarHBondContact N-O 3.49Å; D127-S132 PolarHBondContact O-N 2.81Å; D127-N231 WeakPolarHBondContact CA-OD1 3.21Å |
| 128 | Q | 86.1 | Confident | 92 | Very high | 69 Ų | 69 | 31.7 Ų | 31.7 | 32% | 0.322 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -30.5 | -176.9 | -169.8 | 175.5 | 13.6 | 0 | 0 | 111.9 | Y126 S130 N131 D194 N231 | Y126-Q128 HydrophobicContact CE1-CB 4.11Å; Y126-Q128 HydrophobicContact CE1-CG 4.34Å; Q128-S130 VanDerWaalsContact C-N 3.31Å; Q128-S130 PolarHBondContact O-N 3.11Å; Q128-N131 PolarHBondContact O-N 3.38Å; Q128-N131 PolarHBondContact O-OD1 2.9Å; Q128-D194 PolarHBondContact NE2-OD2 2.73Å; Q128-N231 PolarHBondContact N-OD1 2.98Å |
| 129 | E | 88 | Confident | 92.4 | Very high | 176 Ų | 176 | 35.7 Ų | 35.7 | 82% | 0.822 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -37.3 | -178.2 | -66.4 | -177 | -178 | 0 | 0 | 111 | D127 | D127-E129 PolarHBondContact OD1-N 2.65Å; D127-E129 VanDerWaalsContact OD1-N 3.07Å |
| 130 | S | 88.9 | Confident | 92.7 | Very high | 54 Ų | 54 | 34.9 Ų | 34.9 | 38% | 0.378 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 1.8 | 177.9 | 66 | 0 | 0 | 0 | 0 | 114.3 | D127 Q128 S132 | D127-S130 WeakPolarHBondContact CB-OG 3.42Å; D127-S130 WeakPolarHBondContact OD2-CB 3.45Å; D127-S130 PolarHBondContact OD2-OG 3.09Å; Q128-S130 VanDerWaalsContact C-N 3.31Å; Q128-S130 PolarHBondContact O-N 3.11Å; S130-S132 PolarHBondContact O-N 3.12Å; S130-S132 WeakPolarHBondContact OG-CB 3.4Å; S130-S132 PolarHBondContact OG-OG 2.64Å |
| 131 | N | 89.1 | Confident | 92.5 | Very high | 72 Ų | 72 | 41.8 Ų | 41.8 | 39% | 0.385 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | 45.5 | -172.1 | -68.5 | -48.3 | 0 | 0 | 0 | 112 | D127 Q128 G191 L192 | D127-N131 WeakPolarHBondContact O-CA 3.03Å; D127-N131 PolarHBondContact O-N 3.08Å; D127-N131 VanDerWaalsContact O-N 3.11Å; Q128-N131 PolarHBondContact O-N 3.38Å; Q128-N131 PolarHBondContact O-OD1 2.9Å; N131-G191 PolarHBondContact O-N 3.25Å; N131-L192 WeakPolarHBondContact CB-O 3.19Å; N131-L192 PolarHBondContact O-N 3.47Å |
| 132 | S | 91.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138.2 | -172.9 | 78.6 | 0 | 0 | 0 | 0 | 113.2 | Y126 D127 S130 Y189 | Y126-S132 WeakPolarHBondContact CA-O 3.43Å; D127-S132 PolarHBondContact N-O 3.49Å; D127-S132 PolarHBondContact O-N 2.81Å; S130-S132 PolarHBondContact O-N 3.12Å; S130-S132 WeakPolarHBondContact OG-CB 3.4Å; S130-S132 PolarHBondContact OG-OG 2.64Å; S132-Y189 CarbonylContact C-O 3.55Å; S132-Y189 WeakPolarHBondContact CA-O 3.32Å; S132-Y189 WeakPolarHBondContact CB-O 3.24Å |
| 133 | L | 93 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 108.1 | 173.3 | 178 | 71.2 | 0 | 0 | 0 | 109 | L160 T188 Y189 L192 L202 L225 L228 | L133-L160 HydrophobicContact CD2-CD2 4.46Å; L133-T188 WeakPolarHBondContact O-CA 2.8Å; L133-Y189 HydrophobicContact CD2-CD2 4.45Å; L133-Y189 PolarHBondContact N-O 3.07Å; L133-Y189 PolarHBondContact O-N 3.05Å; L133-L192 HydrophobicContact CB-CD1 3.31Å; L133-L192 HydrophobicContact CD2-CD1 4.08Å; L133-L192 HydrophobicContact CG-CD1 4.34Å; L133-L202 HydrophobicContact CD2-CD2 4.45Å; L133-L225 HydrophobicContact CD2-CD1 4.18Å; L133-L225 HydrophobicContact CD2-CD2 3.71Å; L133-L228 HydrophobicContact CD1-CD1 3.78Å |
| 134 | Q | 94.8 | Very high | 91 | Very high | 64 Ų | 64 | 42.4 Ų | 42.4 | 30% | 0.299 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123.5 | 173.4 | -60.1 | -179.2 | 8.9 | 0 | 0 | 109.9 | L124 L125 T186 T188 | L124-Q134 WeakPolarHBondContact CA-O 3.28Å; L125-Q134 HydrophobicContact CB-CB 4.34Å; L125-Q134 PolarHBondContact N-O 3.06Å; L125-Q134 PolarHBondContact O-N 2.79Å; Q134-T186 HydrophobicContact CB-CG2 4.19Å; Q134-T188 HydrophobicContact CG-CG2 4.22Å |
| 135 | C | 95.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 96.6 | 177.7 | -54.4 | 0 | 0 | 0 | 0 | 109.1 | G123 L124 I137 L158 T186 L187 | G123-C135 CarbonylContact O-C 3.55Å; L124-C135 HydrophobicContact CD2-CB 3.93Å; C135-I137 PolarHBondContact O-N 3.41Å; C135-L158 HydrophobicContact CB-CD2 3.43Å; C135-L158 VanDerWaalsContact CB-CD2 3.43Å; C135-T186 WeakPolarHBondContact O-CA 3.2Å; C135-L187 WeakPolarHBondContact CA-O 3.1Å; C135-L187 VanDerWaalsContact CB-O 3.31Å; C135-L187 WeakPolarHBondContact CB-O 3.44Å; C135-L187 PolarHBondContact N-O 2.96Å; C135-L187 PolarHBondContact O-N 3.16Å |
| 136 | S | 96.8 | Very high | 89.5 | Confident | 12 Ų | 12 | 43.9 Ų | 43.9 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 102.5 | 175.7 | -59.4 | 0 | 0 | 0 | 0 | 110.4 | F122 G123 E185 T186 | F122-S136 CarbonylContact C-O 3.52Å; F122-S136 WeakPolarHBondContact CA-O 3.28Å; F122-S136 WeakPolarHBondContact CB-O 3.41Å; G123-S136 PolarHBondContact N-O 2.9Å; G123-S136 PolarHBondContact O-N 2.68Å; S136-E185 CarbonylContact C-O 3.53Å; S136-T186 PolarHBondContact OG-OG1 3.24Å |
| 137 | I | 97 | Very high | 88.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 112.4 | 175.2 | -49.5 | -51.7 | 0 | 0 | 0 | 108.5 | L120 F122 C135 V156 L158 T172 W183 N184 E185 L204 | L120-I137 HydrophobicContact CD1-CG2 4.3Å; F122-I137 HydrophobicContact CB-CD1 3.88Å; C135-I137 PolarHBondContact O-N 3.41Å; I137-V156 HydrophobicContact CG2-CB 4.26Å; I137-V156 HydrophobicContact CG2-CG2 3.84Å; I137-L158 HydrophobicContact CD1-CD1 4.11Å; I137-L158 HydrophobicContact CD1-CD2 4.4Å; I137-L158 HydrophobicContact CG1-CD1 4.25Å; I137-T172 HydrophobicContact CB-CG2 3.96Å; I137-T172 HydrophobicContact CG1-CG2 3.87Å; I137-T172 HydrophobicContact CG2-CG2 4.05Å; I137-W183 HydrophobicContact CG2-CB 4.35Å; I137-W183 HydrophobicContact CG2-CD2 4.19Å; I137-W183 HydrophobicContact CG2-CE3 3.78Å; I137-W183 HydrophobicContact CG2-CG 4.46Å; I137-W183 HydrophobicContact CG2-CZ3 4.4Å; I137-N184 CarbonylContact O-C 3.5Å; I137-N184 VanDerWaalsContact O-CA 3.3Å; I137-N184 WeakPolarHBondContact O-CA 3.28Å; I137-N184 PolarHBondContact O-N 3.23Å; I137-N184 VanDerWaalsContact O-N 3.08Å; I137-E185 PolarHBondContact N-O 3.47Å; I137-E185 PolarHBondContact O-N 3.01Å; I137-L204 HydrophobicContact CD1-CD2 3.62Å |
| 138 | L | 94 | Very high | 87.8 | Confident | 41 Ų | 41 | 49.6 Ų | 49.6 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -69.3 | -170.9 | -60.2 | 173.8 | 0 | 0 | 0 | 110.8 | E121 V182 W183 N184 | E121-L138 HydrophobicContact CB-CB 4.47Å; E121-L138 HydrophobicContact CG-CD1 4.15Å; E121-L138 WeakPolarHBondContact O-CB 3.02Å; E121-L138 PolarHBondContact O-N 3.17Å; L138-V182 CarbonylContact O-C 3.43Å; L138-W183 PolarHBondContact O-N 3.31Å; L138-N184 PolarHBondContact O-N 3.43Å; L138-N184 PolarHBondContact O-OD1 3.33Å |
| 139 | K | 92.9 | Very high | 87.3 | Confident | 93 Ų | 93 | 50.4 Ų | 50.4 | 40% | 0.404 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 157.3 | -175.1 | 61.2 | -179.3 | 176.3 | -175.1 | 0 | 112.8 | E121 P181 V182 | E121-K139 HydrophobicContact CB-CG 3.98Å; E121-K139 PolarHBondContact N-O 3.12Å; E121-K139 PolarHBondContact O-N 3.42Å; E121-K139 WeakPolarHBondContact OE2-CE 3.04Å; E121-K139 IonicContact OE2-NZ 3.06Å; K139-P181 CarbonylContact C-O 3.5Å; K139-P181 WeakPolarHBondContact CA-O 3.41Å; K139-P181 WeakPolarHBondContact CB-O 3.44Å; K139-V182 HydrophobicContact CB-CB 4.38Å; K139-V182 HydrophobicContact CB-CG1 4.47Å; K139-V182 HydrophobicContact CB-CG2 4.01Å |
| 140 | G | 91.5 | Very high | 86.5 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 4% | 0.041 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 152.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110 | S119 N180 P181 W183 | S119-G140 CarbonylContact O-C 3.53Å; S119-G140 WeakPolarHBondContact O-CA 3.37Å; G140-N180 CarbonylContact O-C 3.47Å; G140-N180 VanDerWaalsContact O-CA 3.27Å; G140-N180 WeakPolarHBondContact O-CA 3.25Å; G140-P181 PolarHBondContact N-O 2.94Å; G140-W183 VanDerWaalsContact N-CZ3 3.29Å |
| 141 | K | 87.9 | Confident | 86.1 | Confident | 146 Ų | 146 | 44 Ų | 44 | 64% | 0.635 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 133.2 | 175.7 | -172.3 | -178.1 | 177.9 | -177.4 | 0 | 110.7 | G118 S119 L143 N180 | G118-K141 CarbonylContact C-O 3.56Å; G118-K141 WeakPolarHBondContact CA-O 3.41Å; S119-K141 PolarHBondContact N-O 3.49Å; S119-K141 PolarHBondContact O-N 3.03Å; K141-L143 VanDerWaalsContact C-N 3.3Å; K141-L143 PolarHBondContact O-N 3.19Å; K141-N180 WeakPolarHBondContact CA-OD1 3.23Å; K141-N180 WeakPolarHBondContact CG-OD1 3.48Å |
| 142 | G | 84.4 | Confident | 85.8 | Confident | 24 Ų | 24 | 40.6 Ų | 40.6 | 25% | 0.247 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 58.9 | 39 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G118 R179 N180 | G118-G142 WeakPolarHBondContact CA-O 3.29Å; G118-G142 PolarHBondContact N-O 3.2Å; G142-R179 PolarHBondContact N-O 3.43Å; G142-R179 VanDerWaalsContact N-O 3.12Å; G142-N180 PolarHBondContact N-OD1 3.37Å |
| 143 | L | 85.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 144.2 | 177.1 | -61.9 | -176.9 | 0 | 0 | 0 | 110.4 | K141 P154 R179 P181 W183 V206 L240 | K141-L143 VanDerWaalsContact C-N 3.3Å; K141-L143 PolarHBondContact O-N 3.19Å; L143-P154 HydrophobicContact CD1-CB 3.49Å; L143-P154 VanDerWaalsContact CD1-CB 3.49Å; L143-P154 HydrophobicContact CD1-CG 3.8Å; L143-R179 PolarHBondContact N-O 3.29Å; L143-R179 PolarHBondContact O-NE 3.3Å; L143-R179 PolarHBondContact O-NH2 3.43Å; L143-P181 HydrophobicContact CD1-CG 3.54Å; L143-P181 HydrophobicContact CG-CG 4.46Å; L143-W183 HydrophobicContact CD1-CH2 4.37Å; L143-V206 HydrophobicContact CD1-CG1 4.07Å; L143-V206 HydrophobicContact CD2-CG1 4.32Å; L143-L240 HydrophobicContact CD2-CD1 3.57Å |
| 144 | K | 79.7 | Confident | 85.6 | Confident | 46 Ų | 46 | 41 Ų | 41 | 20% | 0.2 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -60.9 | 133.1 | 177.2 | -179.6 | 174.6 | 167.4 | 64.8 | 0 | 109.4 | A114 L117 M146 I218 | A114-K144 PolarHBondContact O-NZ 2.74Å; L117-K144 HydrophobicContact CD2-CB 4.37Å; L117-K144 HydrophobicContact CD2-CD 3.85Å; L117-K144 PolarHBondContact O-N 3.3Å; K144-M146 HydrophobicContact CB-CE 4.19Å; K144-M146 HydrophobicContact CD-CE 3.56Å; K144-M146 HydrophobicContact CD-SD 3.94Å; K144-M146 HydrophobicContact CG-CE 3.95Å; K144-M146 HydrophobicContact CG-SD 3.98Å; K144-M146 PolarHBondContact O-N 3.24Å; K144-I218 HydrophobicContact CB-CG2 4.3Å |
| 145 | P | 80.1 | Confident | 85.6 | Confident | 33 Ų | 33 | 38.6 Ų | 38.6 | 21% | 0.214 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -71.9 | 129.3 | 174.4 | 31.9 | -30.1 | 0 | 0 | 0 | 107.9 | G150 L151 R179 | P145-G150 VanDerWaalsContact CB-C 3.48Å; P145-G150 WeakPolarHBondContact CB-O 3.42Å; P145-L151 VanDerWaalsContact CA-O 3.29Å; P145-L151 WeakPolarHBondContact CA-O 3.49Å; P145-R179 VanDerWaalsContact CD-CZ 3.42Å |
| 146 | M | 79 | Confident | 85.5 | Confident | 36 Ų | 36 | 38.6 Ų | 38.6 | 18% | 0.177 | 22% | 0.219 | C | C | . | . | trans | -117.3 | -25.3 | 179.2 | -65.3 | -53.6 | -164.3 | 0 | 0 | 110.8 | K144 L151 D208 E216 I218 | K144-M146 HydrophobicContact CB-CE 4.19Å; K144-M146 HydrophobicContact CD-CE 3.56Å; K144-M146 HydrophobicContact CD-SD 3.94Å; K144-M146 HydrophobicContact CG-CE 3.95Å; K144-M146 HydrophobicContact CG-SD 3.98Å; K144-M146 PolarHBondContact O-N 3.24Å; M146-L151 PolarHBondContact N-O 3.34Å; M146-L151 VanDerWaalsContact N-O 3.08Å; M146-D208 HydrophobicContact CB-CB 4.21Å; M146-D208 VanDerWaalsContact CB-OD2 3.29Å; M146-D208 WeakPolarHBondContact CB-OD2 3.42Å; M146-E216 HydrophobicContact CB-CB 4.39Å; M146-E216 WeakPolarHBondContact CB-OE2 3.37Å; M146-E216 HydrophobicContact CE-CG 4.41Å; M146-E216 HydrophobicContact CG-CB 4.47Å; M146-E216 HydrophobicContact CG-CG 4.28Å; M146-E216 HydrophobicContact SD-CG 4.2Å; M146-I218 HydrophobicContact CE-CB 4.32Å; M146-I218 HydrophobicContact CE-CG1 4.09Å; M146-I218 HydrophobicContact CE-CG2 4.48Å; M146-I218 HydrophobicContact CG-CD1 4.45Å; M146-I218 HydrophobicContact CG-CG1 3.9Å | ||
| 147 | D | 77.3 | Confident | 85.3 | Confident | 30 Ų | 30 | 41.8 Ų | 41.8 | 16% | 0.16 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -74.4 | 147.6 | 171.2 | -75.1 | -46.5 | 0 | 0 | 0 | 112.9 | N149 G150 L151 A152 | D147-N149 WeakPolarHBondContact CB-OD1 3.33Å; D147-N149 PolarHBondContact O-N 3.38Å; D147-G150 PolarHBondContact O-N 3.39Å; D147-L151 WeakPolarHBondContact CB-O 3.49Å; D147-L151 PolarHBondContact N-O 3.13Å; D147-L151 VanDerWaalsContact N-O 3.12Å; D147-A152 WeakPolarHBondContact OD2-CA 3.48Å |
| 148 | S | 71.5 | Confident | 85 | Confident | 138 Ų | 138 | 41.8 Ų | 41.8 | 97% | 0.965 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -15.7 | 171.7 | 59.4 | 0 | 0 | 0 | 0 | 114.7 | G150 | S148-G150 VanDerWaalsContact C-N 3.29Š|
| 149 | N | 74.8 | Confident | 84.7 | Confident | 85 Ų | 85 | 40.8 Ų | 40.8 | 46% | 0.455 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -0.1 | 175.7 | 66.2 | 17.9 | 0 | 0 | 0 | 113.2 | D147 L151 N177 | D147-N149 WeakPolarHBondContact CB-OD1 3.33Å; D147-N149 PolarHBondContact O-N 3.38Å; N149-L151 VanDerWaalsContact C-N 3.34Å; N149-L151 WeakPolarHBondContact OD1-CA 3.42Å; N149-L151 VanDerWaalsContact OD1-CB 3.24Å; N149-L151 WeakPolarHBondContact OD1-CB 3.02Å; N149-L151 PolarHBondContact OD1-N 3.49Å; N149-N177 PolarHBondContact ND2-OD1 2.93Å |
| 150 | G | 70.4 | Confident | 84.2 | Confident | 35 Ų | 35 | 36.4 Ų | 36.4 | 36% | 0.361 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 78.6 | 13.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P145 D147 S148 R179 | P145-G150 VanDerWaalsContact CB-C 3.48Å; P145-G150 WeakPolarHBondContact CB-O 3.42Å; D147-G150 PolarHBondContact O-N 3.39Å; S148-G150 VanDerWaalsContact C-N 3.29Å; G150-R179 WeakPolarHBondContact O-CD 3.29Å; G150-R179 PolarHBondContact O-NH1 2.99Å |
| 151 | L | 80.8 | Confident | 83.6 | Confident | 62 Ų | 62 | 38.4 Ų | 38.4 | 33% | 0.325 | 22% | 0.216 | S | C | . | . | trans | -120.7 | -162.9 | 177.1 | -56.7 | 171.7 | 0 | 0 | 0 | 110.1 | P145 M146 D147 N149 N177 R179 | P145-L151 VanDerWaalsContact CA-O 3.29Å; P145-L151 WeakPolarHBondContact CA-O 3.49Å; M146-L151 PolarHBondContact N-O 3.34Å; M146-L151 VanDerWaalsContact N-O 3.08Å; D147-L151 WeakPolarHBondContact CB-O 3.49Å; D147-L151 PolarHBondContact N-O 3.13Å; D147-L151 VanDerWaalsContact N-O 3.12Å; N149-L151 VanDerWaalsContact C-N 3.34Å; N149-L151 WeakPolarHBondContact OD1-CA 3.42Å; N149-L151 VanDerWaalsContact OD1-CB 3.24Å; N149-L151 WeakPolarHBondContact OD1-CB 3.02Å; N149-L151 PolarHBondContact OD1-N 3.49Å; L151-N177 HydrophobicContact CD1-CB 3.77Å; L151-R179 HydrophobicContact CD2-CG 4.23Å | ||
| 152 | A | 83.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -153.5 | 159.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | D147 P154 N177 T178 D208 I218 | D147-A152 WeakPolarHBondContact OD2-CA 3.48Å; A152-P154 WeakPolarHBondContact O-CD 3.45Å; A152-N177 CarbonylContact O-C 3.47Å; A152-N177 WeakPolarHBondContact O-CA 3.15Å; A152-N177 PolarHBondContact O-N 3.27Å; A152-N177 VanDerWaalsContact O-N 3.11Å; A152-T178 PolarHBondContact O-N 2.67Å; A152-D208 WeakPolarHBondContact CA-OD2 3.25Å; A152-D208 WeakPolarHBondContact CB-OD2 3.49Å; A152-I218 HydrophobicContact CB-CD1 4.31Å | ||
| 153 | D | 88.6 | Confident | 81.2 | Confident | 11 Ų | 11 | 36.3 Ų | 36.3 | 6% | 0.059 | 22% | 0.219 | C | C | . | . | trans | -105.3 | 65.8 | 168.7 | -72.2 | -10.1 | 0 | 0 | 0 | 110.8 | T174 L175 R176 N177 D208 E209 | D153-T174 HydrophobicContact CB-CG2 4.06Å; D153-T174 WeakPolarHBondContact O-CG2 3.3Å; D153-L175 CarbonylContact C-O 3.54Å; D153-L175 VanDerWaalsContact C-O 3.28Å; D153-L175 VanDerWaalsContact CA-O 3.24Å; D153-L175 WeakPolarHBondContact CA-O 3.19Å; D153-R176 WeakPolarHBondContact OD1-CA 3.33Å; D153-R176 VanDerWaalsContact OD1-CB 3.28Å; D153-R176 WeakPolarHBondContact OD1-CB 3.26Å; D153-N177 PolarHBondContact OD1-N 3.11Å; D153-D208 VanDerWaalsContact C-OD1 3.25Å; D153-D208 WeakPolarHBondContact CA-OD1 3.05Å; D153-D208 VanDerWaalsContact CB-OD1 3.26Å; D153-D208 WeakPolarHBondContact CB-OD1 3.26Å; D153-D208 PolarHBondContact N-OD1 3.26Å; D153-E209 PolarHBondContact O-N 2.82Å; D153-E209 VanDerWaalsContact O-N 3.11Å | ||
| 154 | P | 91.3 | Very high | 79.2 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 139.9 | -167.1 | 32.2 | -42.3 | 0 | 0 | 0 | 114.7 | L143 A152 L175 T178 P181 W183 V206 C207 I218 | L143-P154 HydrophobicContact CD1-CB 3.49Å; L143-P154 VanDerWaalsContact CD1-CB 3.49Å; L143-P154 HydrophobicContact CD1-CG 3.8Å; A152-P154 WeakPolarHBondContact O-CD 3.45Å; P154-L175 WeakPolarHBondContact CD-O 3.19Å; P154-L175 PolarHBondContact O-N 2.5Å; P154-L175 VanDerWaalsContact O-N 3.14Å; P154-T178 VanDerWaalsContact CD-O 3.28Å; P154-T178 WeakPolarHBondContact CD-O 3.02Å; P154-T178 HydrophobicContact CG-CG2 4.06Å; P154-T178 WeakPolarHBondContact CG-O 3.39Å; P154-P181 HydrophobicContact CB-CG 4.2Å; P154-P181 HydrophobicContact CG-CB 3.74Å; P154-P181 HydrophobicContact CG-CG 3.58Å; P154-W183 HydrophobicContact CB-CH2 4.46Å; P154-W183 HydrophobicContact CB-CZ2 3.92Å; P154-W183 HydrophobicContact CG-CZ2 4.24Å; P154-W183 PolarHBondContact O-NE1 3.39Å; P154-V206 HydrophobicContact CB-CG1 4.38Å; P154-C207 CarbonylContact C-O 3.54Å; P154-C207 WeakPolarHBondContact CA-O 3.37Å; P154-I218 HydrophobicContact CB-CD1 4.41Å |
| 155 | Y | 93.6 | Very high | 78 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 6% | 0.059 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 156.3 | 164.8 | 71.1 | -84.5 | 0 | 0 | 0 | 111.4 | K157 V206 C207 E209 N215 | Y155-K157 HydrophobicContact CE2-CB 4.32Å; Y155-V206 WeakPolarHBondContact O-CA 3.41Å; Y155-C207 HydrophobicContact CD1-CB 4.21Å; Y155-C207 WeakPolarHBondContact CD1-O 3.21Å; Y155-C207 HydrophobicContact CE1-CB 3.54Å; Y155-C207 HydrophobicContact CE2-CB 3.98Å; Y155-C207 VanDerWaalsContact CZ-CB 3.4Å; Y155-C207 PolarHBondContact N-O 3.35Å; Y155-C207 PolarHBondContact O-N 3.1Å; Y155-C207 WeakPolarHBondContact OH-CB 3.11Å; Y155-E209 HydrophobicContact CD1-CB 3.78Å; Y155-E209 HydrophobicContact CE1-CB 3.74Å; Y155-E209 HydrophobicContact CE1-CG 4.43Å; Y155-N215 PolarHBondContact OH-ND2 2.98Å |
| 156 | V | 93.8 | Very high | 76.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 127.3 | 179 | -166.6 | 0 | 0 | 0 | 0 | 110.2 | L120 I137 L158 R171 T172 W183 L204 S205 V206 | L120-V156 HydrophobicContact CD1-CG2 4Å; L120-V156 HydrophobicContact CD2-CG1 4.12Å; I137-V156 HydrophobicContact CG2-CB 4.26Å; I137-V156 HydrophobicContact CG2-CG2 3.84Å; V156-L158 HydrophobicContact CB-CD1 4.48Å; V156-L158 HydrophobicContact CG1-CD1 3.94Å; V156-R171 CarbonylContact O-C 3.58Å; V156-R171 VanDerWaalsContact O-CA 3.27Å; V156-R171 WeakPolarHBondContact O-CA 3.25Å; V156-T172 HydrophobicContact CB-CG2 4Å; V156-T172 HydrophobicContact CG2-CG2 4.5Å; V156-T172 PolarHBondContact N-OG1 2.9Å; V156-T172 PolarHBondContact O-N 2.96Å; V156-W183 HydrophobicContact CG2-CD2 4.16Å; V156-W183 HydrophobicContact CG2-CE3 4.09Å; V156-W183 HydrophobicContact CG2-CH2 3.49Å; V156-W183 VanDerWaalsContact CG2-CH2 3.49Å; V156-W183 HydrophobicContact CG2-CZ2 3.6Å; V156-W183 HydrophobicContact CG2-CZ3 3.75Å; V156-L204 HydrophobicContact CG1-CB 4.19Å; V156-L204 HydrophobicContact CG1-CD2 4.5Å; V156-S205 CarbonylContact C-O 3.53Å; V156-S205 WeakPolarHBondContact CA-O 3.24Å; V156-V206 HydrophobicContact CG1-CG2 4.42Å; V156-V206 HydrophobicContact CG2-CG2 4.18Å |
| 157 | K | 92.3 | Very high | 75.6 | Confident | 79 Ų | 79 | 52.9 Ų | 52.9 | 34% | 0.343 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 122 | 175.9 | -173 | 177.1 | -173.4 | 170.5 | 0 | 110.2 | Y155 L170 L204 S205 | Y155-K157 HydrophobicContact CE2-CB 4.32Å; K157-L170 CarbonylContact C-O 3.51Å; K157-L170 WeakPolarHBondContact CA-O 3.27Å; K157-L204 WeakPolarHBondContact O-CA 3.49Å; K157-S205 PolarHBondContact N-O 2.74Å; K157-S205 PolarHBondContact O-N 3.23Å |
| 158 | L | 92.3 | Very high | 75.4 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 140.3 | 177 | -75.2 | 63.1 | 0 | 0 | 0 | 109 | C135 I137 V156 K169 L170 L187 Y189 L202 R203 L204 | C135-L158 HydrophobicContact CB-CD2 3.43Å; C135-L158 VanDerWaalsContact CB-CD2 3.43Å; I137-L158 HydrophobicContact CD1-CD1 4.11Å; I137-L158 HydrophobicContact CD1-CD2 4.4Å; I137-L158 HydrophobicContact CG1-CD1 4.25Å; V156-L158 HydrophobicContact CB-CD1 4.48Å; V156-L158 HydrophobicContact CG1-CD1 3.94Å; L158-K169 WeakPolarHBondContact O-CA 3.24Å; L158-L170 HydrophobicContact CB-CB 4.29Å; L158-L170 PolarHBondContact N-O 2.8Å; L158-L170 PolarHBondContact O-N 2.91Å; L158-L170 VanDerWaalsContact O-N 3.16Å; L158-L187 HydrophobicContact CD1-CD1 3.78Å; L158-L187 HydrophobicContact CD2-CB 4.2Å; L158-L187 HydrophobicContact CD2-CD1 4.02Å; L158-L187 HydrophobicContact CG-CD1 4.47Å; L158-Y189 HydrophobicContact CB-CE2 4.27Å; L158-Y189 WeakPolarHBondContact CB-OH 3.42Å; L158-Y189 HydrophobicContact CD2-CE2 4.35Å; L158-Y189 PolarHBondContact O-OH 3.22Å; L158-L202 HydrophobicContact CB-CD1 4.14Å; L158-L202 HydrophobicContact CD2-CD1 4.44Å; L158-L202 HydrophobicContact CG-CD1 4.37Å; L158-R203 CarbonylContact C-O 3.57Å; L158-R203 WeakPolarHBondContact CA-O 3.28Å; L158-L204 HydrophobicContact CD1-CD2 4.47Å; L158-L204 HydrophobicContact CG-CD2 4.38Å; L158-L204 HydrophobicContact CG-CG 4.31Å |
| 159 | H | 87.4 | Confident | 76 | Confident | 19 Ų | 19 | 50.8 Ų | 50.8 | 9% | 0.088 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 125.1 | 175.9 | -166 | -153.3 | 0 | 0 | 0 | 111.1 | L161 N168 R203 | H159-L161 WeakPolarHBondContact ND1-CD2 3.29Å; H159-N168 WeakPolarHBondContact CA-O 3.44Å; H159-N168 PolarHBondContact CD2-O 2.89Å; H159-R203 HydrophobicContact CB-CB 4.46Å; H159-R203 PolarHBondContact N-O 2.91Å; H159-R203 PolarHBondContact ND1-NH2 2.82Å; H159-R203 PolarHBondContact O-N 2.68Å |
| 160 | L | 82.6 | Confident | 76.7 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 122.6 | 172.3 | -72.1 | 174.8 | 0 | 0 | 0 | 111.3 | L133 N168 Y189 L192 K200 L202 L225 | L133-L160 HydrophobicContact CD2-CD2 4.46Å; L160-N168 HydrophobicContact CB-CB 4.26Å; L160-N168 PolarHBondContact N-O 3.12Å; L160-Y189 HydrophobicContact CD1-CD1 3.55Å; L160-Y189 HydrophobicContact CD1-CD2 3.83Å; L160-Y189 HydrophobicContact CD1-CE1 3.83Å; L160-Y189 HydrophobicContact CD1-CE2 4.08Å; L160-Y189 HydrophobicContact CD1-CG 3.55Å; L160-Y189 HydrophobicContact CG-CD1 4.32Å; L160-Y189 HydrophobicContact CG-CD2 4.14Å; L160-Y189 HydrophobicContact CG-CE1 4.14Å; L160-Y189 HydrophobicContact CG-CE2 3.94Å; L160-Y189 HydrophobicContact CG-CG 4.32Å; L160-L192 HydrophobicContact CD1-CD1 4.29Å; L160-L192 HydrophobicContact CD1-CD2 3.76Å; L160-K200 HydrophobicContact CB-CD 4.32Å; L160-L202 HydrophobicContact CD2-CB 4.17Å; L160-L202 HydrophobicContact CD2-CD1 3.88Å; L160-L202 HydrophobicContact CG-CD1 4.36Å; L160-L225 HydrophobicContact CD2-CD1 3.91Å |
| 161 | L | 78.6 | Confident | 77.8 | Confident | 46 Ų | 46 | 53 Ų | 53 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 143.6 | 178.6 | -60.7 | 175.7 | 0 | 0 | 0 | 110.2 | H159 K200 T201 R203 | H159-L161 WeakPolarHBondContact ND1-CD2 3.29Å; L161-K200 CarbonylContact O-C 3.55Å; L161-K200 WeakPolarHBondContact O-CA 3.35Å; L161-K200 VanDerWaalsContact O-CB 3.28Å; L161-K200 WeakPolarHBondContact O-CB 3.42Å; L161-T201 PolarHBondContact N-O 2.92Å; L161-T201 PolarHBondContact O-N 2.84Å; L161-R203 HydrophobicContact CD1-CB 4.2Å |
| 162 | P | 63.2 | Low | 78.5 | Confident | 91 Ų | 91 | 50.2 Ų | 50.2 | 59% | 0.591 | 28% | 0.281 | S | S | * | . | S | Bend | cis | -75.6 | 151.7 | -9.3 | 31.6 | -35.3 | 0 | 0 | 0 | 112.4 | ||
| 163 | G | 58.4 | Low | 78.9 | Confident | 35 Ų | 35 | 57.4 Ų | 57.4 | 36% | 0.361 | 31% | 0.312 | S | S | . | . | trans | 146.1 | 120.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S165 N168 | G163-S165 PolarHBondContact O-N 3.32Å; G163-N168 PolarHBondContact O-ND2 2.9Å | ||
| 164 | A | 43.2 | Very low | 79.1 | Confident | 113 Ų | 113 | 58.4 Ų | 58.4 | 93% | 0.934 | 32% | 0.318 | S | S | * | . | trans | -95.4 | 31.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 165 | S | 55.5 | Low | 79.1 | Confident | 64 Ų | 64 | 60.8 Ų | 60.8 | 45% | 0.448 | 33% | 0.331 | S | S | . | . | trans | -90.3 | 144.2 | 179.5 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | G163 S167 N168 | G163-S165 PolarHBondContact O-N 3.32Å; S165-S167 PolarHBondContact O-N 2.92Å; S165-S167 PolarHBondContact OG-N 3.38Å; S165-N168 WeakPolarHBondContact O-CB 3.33Å; S165-N168 PolarHBondContact O-N 3.19Å; S165-N168 VanDerWaalsContact O-N 3.09Å | ||
| 166 | K | 49.4 | Very low | 78.8 | Confident | 196 Ų | 196 | 67.5 Ų | 67.5 | 85% | 0.852 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -60.6 | -28.2 | 172.3 | -69.8 | -174.5 | 179.5 | 179.5 | 0 | 112.1 | N168 K169 | K166-N168 PolarHBondContact O-N 3.23Å; K166-K169 PolarHBondContact O-N 2.98Å |
| 167 | S | 59 | Low | 78.5 | Confident | 91 Ų | 91 | 71.9 Ų | 71.9 | 64% | 0.636 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -66.2 | -16.7 | 175 | 179.8 | 0 | 0 | 0 | 0 | 114 | S165 K169 | S165-S167 PolarHBondContact O-N 2.92Å; S165-S167 PolarHBondContact OG-N 3.38Å; S167-K169 VanDerWaalsContact C-N 3.25Å; S167-K169 PolarHBondContact O-N 3.14Å |
| 168 | N | 73.5 | Confident | 78.3 | Confident | 22 Ų | 22 | 69.8 Ų | 69.8 | 12% | 0.118 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -85.8 | 4.5 | -178.9 | -73.7 | -11 | 0 | 0 | 0 | 113.2 | H159 L160 G163 S165 K166 Y189 | H159-N168 WeakPolarHBondContact CA-O 3.44Å; H159-N168 PolarHBondContact CD2-O 2.89Å; L160-N168 HydrophobicContact CB-CB 4.26Å; L160-N168 PolarHBondContact N-O 3.12Å; G163-N168 PolarHBondContact O-ND2 2.9Å; S165-N168 WeakPolarHBondContact O-CB 3.33Å; S165-N168 PolarHBondContact O-N 3.19Å; S165-N168 VanDerWaalsContact O-N 3.09Å; K166-N168 PolarHBondContact O-N 3.23Å; N168-Y189 PolarHBondContact O-OH 3.49Å |
| 169 | K | 82.8 | Confident | 77.9 | Confident | 102 Ų | 102 | 70.8 Ų | 70.8 | 44% | 0.443 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 123.9 | -176.8 | -65.2 | 176.7 | -175.1 | 173.4 | 0 | 109.7 | L158 K166 S167 | L158-K169 WeakPolarHBondContact O-CA 3.24Å; K166-K169 PolarHBondContact O-N 2.98Å; S167-K169 VanDerWaalsContact C-N 3.25Å; S167-K169 PolarHBondContact O-N 3.14Å |
| 170 | L | 90.9 | Very high | 78 | Confident | 46 Ų | 46 | 74.1 Ų | 74.1 | 24% | 0.241 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 154 | 168.4 | -57.4 | 174.2 | 0 | 0 | 0 | 108.2 | K157 L158 L187 Y189 | K157-L170 CarbonylContact C-O 3.51Å; K157-L170 WeakPolarHBondContact CA-O 3.27Å; L158-L170 HydrophobicContact CB-CB 4.29Å; L158-L170 PolarHBondContact N-O 2.8Å; L158-L170 PolarHBondContact O-N 2.91Å; L158-L170 VanDerWaalsContact O-N 3.16Å; L170-L187 HydrophobicContact CB-CB 4.22Å; L170-L187 HydrophobicContact CB-CD1 3.99Å; L170-L187 HydrophobicContact CB-CG 4.49Å; L170-L187 HydrophobicContact CD1-CB 3.87Å; L170-Y189 HydrophobicContact CD1-CD1 3.91Å; L170-Y189 HydrophobicContact CD1-CD2 3.88Å; L170-Y189 HydrophobicContact CD1-CE1 3.67Å; L170-Y189 HydrophobicContact CD1-CE2 3.65Å; L170-Y189 HydrophobicContact CD1-CG 4.01Å; L170-Y189 HydrophobicContact CG-CD1 4.32Å; L170-Y189 HydrophobicContact CG-CE1 3.66Å; L170-Y189 HydrophobicContact CG-CE2 4.22Å; L170-Y189 PolarHBondContact N-OH 3.23Å |
| 171 | R | 93.3 | Very high | 78.4 | Confident | 121 Ų | 121 | 74.1 Ų | 74.1 | 46% | 0.457 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 148.4 | 173.4 | 67.7 | 177.1 | -94.5 | 179.4 | -0.9 | 110 | V156 T174 E209 | V156-R171 CarbonylContact O-C 3.58Å; V156-R171 VanDerWaalsContact O-CA 3.27Å; V156-R171 WeakPolarHBondContact O-CA 3.25Å; R171-T174 PolarHBondContact NH2-OG1 2.86Å; R171-E209 IonicContact CZ-OE1 3.62Å; R171-E209 IonicContact NH1-OE1 3.14Å; R171-E209 PolarHBondContact NH1-OE1 3.11Å; R171-E209 IonicContact NH2-OE1 2.74Å; R171-E209 PolarHBondContact NH2-OE1 2.78Å; R171-E209 IonicContact NH2-OE2 3.17Å; R171-E209 PolarHBondContact NH2-OE2 2.76Å |
| 172 | T | 94.8 | Very high | 79.2 | Confident | 3 Ų | 3 | 75.8 Ų | 75.8 | 2% | 0.018 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 172.8 | 167.9 | 64.8 | 0 | 0 | 0 | 0 | 110.7 | I137 V156 W183 E185 L187 | I137-T172 HydrophobicContact CB-CG2 3.96Å; I137-T172 HydrophobicContact CG1-CG2 3.87Å; I137-T172 HydrophobicContact CG2-CG2 4.05Å; V156-T172 HydrophobicContact CB-CG2 4Å; V156-T172 HydrophobicContact CG2-CG2 4.5Å; V156-T172 PolarHBondContact N-OG1 2.9Å; V156-T172 PolarHBondContact O-N 2.96Å; T172-W183 HydrophobicContact CG2-CG 4.48Å; T172-E185 WeakPolarHBondContact CA-OE2 3.32Å; T172-E185 WeakPolarHBondContact CB-OE2 3.42Å; T172-E185 HydrophobicContact CG2-CB 4.49Å; T172-L187 HydrophobicContact CG2-CD1 3.89Å |
| 173 | K | 93.1 | Very high | 80.8 | Confident | 151 Ų | 151 | 72.5 Ų | 72.5 | 66% | 0.657 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 152 | 160.7 | -63 | 177 | -174.4 | 175 | 0 | 110.8 | W183 E185 | K173-W183 VanDerWaalsContact O-CD1 3.22Å; K173-W183 PolarHBondContact O-NE1 3.3Å; K173-W183 VanDerWaalsContact O-NE1 3.15Å; K173-E185 PolarHBondContact N-OE2 2.86Å |
| 174 | T | 92.1 | Very high | 82.5 | Confident | 32 Ų | 32 | 76.1 Ų | 76.1 | 20% | 0.196 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 127.3 | 173.3 | -49.4 | 0 | 0 | 0 | 0 | 108.7 | D153 R171 E209 | D153-T174 HydrophobicContact CB-CG2 4.06Å; D153-T174 WeakPolarHBondContact O-CG2 3.3Å; R171-T174 PolarHBondContact NH2-OG1 2.86Å; T174-E209 WeakPolarHBondContact CB-OE2 3.44Å; T174-E209 HydrophobicContact CG2-CB 3.67Å; T174-E209 HydrophobicContact CG2-CG 4.48Å; T174-E209 VanDerWaalsContact CG2-OE2 3.3Å; T174-E209 WeakPolarHBondContact CG2-OE2 3.22Å; T174-E209 PolarHBondContact OG1-OE2 3.18Å |
| 175 | L | 90.7 | Very high | 84.9 | Confident | 50 Ų | 50 | 72.9 Ų | 72.9 | 26% | 0.262 | 36% | 0.36 | S | S | . | . | trans | -105 | 126.2 | 175 | -63 | -177.6 | 0 | 0 | 0 | 108 | D153 P154 T178 P181 V182 W183 | D153-L175 CarbonylContact C-O 3.54Å; D153-L175 VanDerWaalsContact C-O 3.28Å; D153-L175 VanDerWaalsContact CA-O 3.24Å; D153-L175 WeakPolarHBondContact CA-O 3.19Å; P154-L175 WeakPolarHBondContact CD-O 3.19Å; P154-L175 PolarHBondContact O-N 2.5Å; P154-L175 VanDerWaalsContact O-N 3.14Å; L175-T178 HydrophobicContact CB-CG2 3.91Å; L175-P181 HydrophobicContact CB-CB 4.34Å; L175-P181 HydrophobicContact CD1-CB 3.73Å; L175-V182 WeakPolarHBondContact CD1-O 3.27Å; L175-W183 HydrophobicContact CD1-CG 4.12Å | ||
| 176 | R | 89 | Confident | 86.9 | Confident | 156 Ų | 156 | 73.3 Ų | 73.3 | 59% | 0.589 | 36% | 0.36 | S | S | * | . | trans | -87.5 | 150.1 | -172.6 | -64.1 | -171.5 | 177.3 | 154.1 | 1.5 | 113.2 | D153 T178 | D153-R176 WeakPolarHBondContact OD1-CA 3.33Å; D153-R176 VanDerWaalsContact OD1-CB 3.28Å; D153-R176 WeakPolarHBondContact OD1-CB 3.26Å; R176-T178 PolarHBondContact O-N 3.46Å | ||
| 177 | N | 86.7 | Confident | 89 | Confident | 91 Ų | 91 | 64.9 Ų | 64.9 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 51.3 | 49 | 169.8 | -64.6 | -33.2 | 0 | 0 | 0 | 112.7 | N149 L151 A152 D153 | N149-N177 PolarHBondContact ND2-OD1 2.93Å; L151-N177 HydrophobicContact CD1-CB 3.77Å; A152-N177 CarbonylContact O-C 3.47Å; A152-N177 WeakPolarHBondContact O-CA 3.15Å; A152-N177 PolarHBondContact O-N 3.27Å; A152-N177 VanDerWaalsContact O-N 3.11Å; D153-N177 PolarHBondContact OD1-N 3.11Å |
| 178 | T | 87.4 | Confident | 90.7 | Very high | 35 Ų | 35 | 62.5 Ų | 62.5 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | trans | -147.3 | 139.3 | -179.2 | -174.6 | 0 | 0 | 0 | 0 | 113.6 | A152 P154 L175 R176 N180 P181 | A152-T178 PolarHBondContact O-N 2.67Å; P154-T178 VanDerWaalsContact CD-O 3.28Å; P154-T178 WeakPolarHBondContact CD-O 3.02Å; P154-T178 HydrophobicContact CG-CG2 4.06Å; P154-T178 WeakPolarHBondContact CG-O 3.39Å; L175-T178 HydrophobicContact CB-CG2 3.91Å; R176-T178 PolarHBondContact O-N 3.46Å; T178-N180 PolarHBondContact OG1-N 2.88Å; T178-P181 HydrophobicContact CG2-CB 3.93Å | ||
| 179 | R | 84.3 | Confident | 91.5 | Very high | 22 Ų | 22 | 62 Ų | 62 | 8% | 0.083 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -102.9 | -4.9 | 173.7 | -60.9 | 179.2 | 62.2 | -179.3 | -15.9 | 112.9 | E113 G142 L143 P145 G150 L151 | E113-R179 VanDerWaalsContact CD-CZ 3.48Å; E113-R179 IonicContact OE1-CZ 2.92Å; E113-R179 IonicContact OE1-NE 2.74Å; E113-R179 IonicContact OE1-NH1 3.36Å; E113-R179 PolarHBondContact OE1-NH1 2.88Å; E113-R179 VanDerWaalsContact OE1-NH1 3.09Å; E113-R179 IonicContact OE1-NH2 2.7Å; E113-R179 PolarHBondContact OE1-NH2 3.04Å; E113-R179 IonicContact OE2-CZ 3.57Å; E113-R179 IonicContact OE2-NH1 3.56Å; E113-R179 PolarHBondContact OE2-NH1 3.13Å; E113-R179 IonicContact OE2-NH2 2.71Å; E113-R179 PolarHBondContact OE2-NH2 3.26Å; G142-R179 PolarHBondContact N-O 3.43Å; G142-R179 VanDerWaalsContact N-O 3.12Å; L143-R179 PolarHBondContact N-O 3.29Å; L143-R179 PolarHBondContact O-NE 3.3Å; L143-R179 PolarHBondContact O-NH2 3.43Å; P145-R179 VanDerWaalsContact CD-CZ 3.42Å; G150-R179 WeakPolarHBondContact O-CD 3.29Å; G150-R179 PolarHBondContact O-NH1 2.99Å; L151-R179 HydrophobicContact CD2-CG 4.23Å |
| 180 | N | 88.6 | Confident | 91.9 | Very high | 89 Ų | 89 | 64.1 Ų | 64.1 | 48% | 0.476 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -128.7 | 59.3 | 177.4 | -60.1 | -72.6 | 0 | 0 | 0 | 109.6 | G140 K141 G142 T178 | G140-N180 CarbonylContact O-C 3.47Å; G140-N180 VanDerWaalsContact O-CA 3.27Å; G140-N180 WeakPolarHBondContact O-CA 3.25Å; K141-N180 WeakPolarHBondContact CA-OD1 3.23Å; K141-N180 WeakPolarHBondContact CG-OD1 3.48Å; G142-N180 PolarHBondContact N-OD1 3.37Å; T178-N180 PolarHBondContact OG1-N 2.88Å |
| 181 | P | 92.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | trans | -62.1 | 141.4 | -177.2 | 25.6 | -35.4 | 0 | 0 | 0 | 111.7 | K139 G140 L143 P154 L175 T178 W183 | K139-P181 CarbonylContact C-O 3.5Å; K139-P181 WeakPolarHBondContact CA-O 3.41Å; K139-P181 WeakPolarHBondContact CB-O 3.44Å; G140-P181 PolarHBondContact N-O 2.94Å; L143-P181 HydrophobicContact CD1-CG 3.54Å; L143-P181 HydrophobicContact CG-CG 4.46Å; P154-P181 HydrophobicContact CB-CG 4.2Å; P154-P181 HydrophobicContact CG-CB 3.74Å; P154-P181 HydrophobicContact CG-CG 3.58Å; L175-P181 HydrophobicContact CB-CB 4.34Å; L175-P181 HydrophobicContact CD1-CB 3.73Å; T178-P181 HydrophobicContact CG2-CB 3.93Å; P181-W183 HydrophobicContact CB-CD2 4.11Å; P181-W183 HydrophobicContact CB-CE3 4.22Å; P181-W183 HydrophobicContact CB-CH2 3.78Å; P181-W183 HydrophobicContact CB-CZ2 3.6Å; P181-W183 HydrophobicContact CB-CZ3 4.07Å; P181-W183 HydrophobicContact CG-CE3 4.23Å; P181-W183 HydrophobicContact CG-CH2 3.16Å; P181-W183 HydrophobicContact CG-CZ2 3.44Å; P181-W183 VanDerWaalsContact CG-CZ2 3.44Å; P181-W183 HydrophobicContact CG-CZ3 3.59Å | ||
| 182 | V | 95.8 | Very high | 91.4 | Very high | 81 Ų | 81 | 59.1 Ų | 59.1 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 96 | 171.6 | -178 | 0 | 0 | 0 | 0 | 107.9 | L138 K139 L175 N184 | L138-V182 CarbonylContact O-C 3.43Å; K139-V182 HydrophobicContact CB-CB 4.38Å; K139-V182 HydrophobicContact CB-CG1 4.47Å; K139-V182 HydrophobicContact CB-CG2 4.01Å; L175-V182 WeakPolarHBondContact CD1-O 3.27Å; V182-N184 VanDerWaalsContact CG1-ND2 3.32Å; V182-N184 WeakPolarHBondContact CG1-ND2 3.41Å |
| 183 | W | 95.4 | Very high | 90.9 | Very high | 22 Ų | 22 | 62.2 Ų | 62.2 | 8% | 0.083 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -43.3 | -178 | -64.9 | -80 | 0 | 0 | 0 | 112.2 | L120 I137 L138 G140 L143 P154 V156 T172 K173 L175 P181 E185 | L120-W183 HydrophobicContact CD1-CE3 4.37Å; L120-W183 HydrophobicContact CD1-CH2 4.19Å; L120-W183 HydrophobicContact CD1-CZ3 3.56Å; I137-W183 HydrophobicContact CG2-CB 4.35Å; I137-W183 HydrophobicContact CG2-CD2 4.19Å; I137-W183 HydrophobicContact CG2-CE3 3.78Å; I137-W183 HydrophobicContact CG2-CG 4.46Å; I137-W183 HydrophobicContact CG2-CZ3 4.4Å; L138-W183 PolarHBondContact O-N 3.31Å; G140-W183 VanDerWaalsContact N-CZ3 3.29Å; L143-W183 HydrophobicContact CD1-CH2 4.37Å; P154-W183 HydrophobicContact CB-CH2 4.46Å; P154-W183 HydrophobicContact CB-CZ2 3.92Å; P154-W183 HydrophobicContact CG-CZ2 4.24Å; P154-W183 PolarHBondContact O-NE1 3.39Å; V156-W183 HydrophobicContact CG2-CD2 4.16Å; V156-W183 HydrophobicContact CG2-CE3 4.09Å; V156-W183 HydrophobicContact CG2-CH2 3.49Å; V156-W183 VanDerWaalsContact CG2-CH2 3.49Å; V156-W183 HydrophobicContact CG2-CZ2 3.6Å; V156-W183 HydrophobicContact CG2-CZ3 3.75Å; T172-W183 HydrophobicContact CG2-CG 4.48Å; K173-W183 VanDerWaalsContact O-CD1 3.22Å; K173-W183 PolarHBondContact O-NE1 3.3Å; K173-W183 VanDerWaalsContact O-NE1 3.15Å; L175-W183 HydrophobicContact CD1-CG 4.12Å; P181-W183 HydrophobicContact CB-CD2 4.11Å; P181-W183 HydrophobicContact CB-CE3 4.22Å; P181-W183 HydrophobicContact CB-CH2 3.78Å; P181-W183 HydrophobicContact CB-CZ2 3.6Å; P181-W183 HydrophobicContact CB-CZ3 4.07Å; P181-W183 HydrophobicContact CG-CE3 4.23Å; P181-W183 HydrophobicContact CG-CH2 3.16Å; P181-W183 HydrophobicContact CG-CZ2 3.44Å; P181-W183 VanDerWaalsContact CG-CZ2 3.44Å; P181-W183 HydrophobicContact CG-CZ3 3.59Å; W183-E185 HydrophobicContact CB-CB 4.31Å; W183-E185 PolarHBondContact O-N 3.44Å; W183-E185 VanDerWaalsContact O-N 3.12Å |
| 184 | N | 94.1 | Very high | 90.5 | Very high | 110 Ų | 110 | 58.7 Ų | 58.7 | 59% | 0.588 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 43 | 42 | -172.4 | -70.7 | -26.4 | 0 | 0 | 0 | 113.2 | I137 L138 V182 | I137-N184 CarbonylContact O-C 3.5Å; I137-N184 VanDerWaalsContact O-CA 3.3Å; I137-N184 WeakPolarHBondContact O-CA 3.28Å; I137-N184 PolarHBondContact O-N 3.23Å; I137-N184 VanDerWaalsContact O-N 3.08Å; L138-N184 PolarHBondContact O-N 3.43Å; L138-N184 PolarHBondContact O-OD1 3.33Å; V182-N184 VanDerWaalsContact CG1-ND2 3.32Å; V182-N184 WeakPolarHBondContact CG1-ND2 3.41Å |
| 185 | E | 95.4 | Very high | 90 | Very high | 46 Ų | 46 | 62.4 Ų | 62.4 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 134.7 | -173.3 | -173.3 | 170.3 | -177.9 | 0 | 0 | 110 | S136 I137 T172 K173 W183 L187 | S136-E185 CarbonylContact C-O 3.53Å; I137-E185 PolarHBondContact N-O 3.47Å; I137-E185 PolarHBondContact O-N 3.01Å; T172-E185 WeakPolarHBondContact CA-OE2 3.32Å; T172-E185 WeakPolarHBondContact CB-OE2 3.42Å; T172-E185 HydrophobicContact CG2-CB 4.49Å; K173-E185 PolarHBondContact N-OE2 2.86Å; W183-E185 HydrophobicContact CB-CB 4.31Å; W183-E185 PolarHBondContact O-N 3.44Å; W183-E185 VanDerWaalsContact O-N 3.12Å; E185-L187 HydrophobicContact CG-CD2 4.25Å; E185-L187 HydrophobicContact CG-CG 4.48Å |
| 186 | T | 95.8 | Very high | 89.8 | Confident | 72 Ų | 72 | 61.9 Ų | 61.9 | 44% | 0.442 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 120.1 | 175.6 | -61.5 | 0 | 0 | 0 | 0 | 110.2 | Q134 C135 S136 | Q134-T186 HydrophobicContact CB-CG2 4.19Å; C135-T186 WeakPolarHBondContact O-CA 3.2Å; S136-T186 PolarHBondContact OG-OG1 3.24Å |
| 187 | L | 95 | Very high | 89.6 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 10% | 0.099 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130.1 | 178.6 | -61.1 | 173.9 | 0 | 0 | 0 | 108.9 | C135 L158 L170 T172 E185 | C135-L187 WeakPolarHBondContact CA-O 3.1Å; C135-L187 VanDerWaalsContact CB-O 3.31Å; C135-L187 WeakPolarHBondContact CB-O 3.44Å; C135-L187 PolarHBondContact N-O 2.96Å; C135-L187 PolarHBondContact O-N 3.16Å; L158-L187 HydrophobicContact CD1-CD1 3.78Å; L158-L187 HydrophobicContact CD2-CB 4.2Å; L158-L187 HydrophobicContact CD2-CD1 4.02Å; L158-L187 HydrophobicContact CG-CD1 4.47Å; L170-L187 HydrophobicContact CB-CB 4.22Å; L170-L187 HydrophobicContact CB-CD1 3.99Å; L170-L187 HydrophobicContact CB-CG 4.49Å; L170-L187 HydrophobicContact CD1-CB 3.87Å; T172-L187 HydrophobicContact CG2-CD1 3.89Å; E185-L187 HydrophobicContact CG-CD2 4.25Å; E185-L187 HydrophobicContact CG-CG 4.48Å |
| 188 | T | 94.1 | Very high | 89.4 | Confident | 42 Ų | 42 | 57.4 Ų | 57.4 | 26% | 0.258 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 128.1 | -173 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | L133 Q134 H190 | L133-T188 WeakPolarHBondContact O-CA 2.8Å; Q134-T188 HydrophobicContact CG-CG2 4.22Å; T188-H190 VanDerWaalsContact CG2-CE1 3.49Å; T188-H190 WeakPolarHBondContact CG2-CE1 3.47Å |
| 189 | Y | 91.2 | Very high | 89 | Confident | 12 Ų | 12 | 63.8 Ų | 63.8 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 131.9 | 163.7 | -71 | -75.8 | 0 | 0 | 0 | 109.3 | S132 L133 L158 L160 N168 L170 L202 | S132-Y189 CarbonylContact C-O 3.55Å; S132-Y189 WeakPolarHBondContact CA-O 3.32Å; S132-Y189 WeakPolarHBondContact CB-O 3.24Å; L133-Y189 HydrophobicContact CD2-CD2 4.45Å; L133-Y189 PolarHBondContact N-O 3.07Å; L133-Y189 PolarHBondContact O-N 3.05Å; L158-Y189 HydrophobicContact CB-CE2 4.27Å; L158-Y189 WeakPolarHBondContact CB-OH 3.42Å; L158-Y189 HydrophobicContact CD2-CE2 4.35Å; L158-Y189 PolarHBondContact O-OH 3.22Å; L160-Y189 HydrophobicContact CD1-CD1 3.55Å; L160-Y189 HydrophobicContact CD1-CD2 3.83Å; L160-Y189 HydrophobicContact CD1-CE1 3.83Å; L160-Y189 HydrophobicContact CD1-CE2 4.08Å; L160-Y189 HydrophobicContact CD1-CG 3.55Å; L160-Y189 HydrophobicContact CG-CD1 4.32Å; L160-Y189 HydrophobicContact CG-CD2 4.14Å; L160-Y189 HydrophobicContact CG-CE1 4.14Å; L160-Y189 HydrophobicContact CG-CE2 3.94Å; L160-Y189 HydrophobicContact CG-CG 4.32Å; N168-Y189 PolarHBondContact O-OH 3.49Å; L170-Y189 HydrophobicContact CD1-CD1 3.91Å; L170-Y189 HydrophobicContact CD1-CD2 3.88Å; L170-Y189 HydrophobicContact CD1-CE1 3.67Å; L170-Y189 HydrophobicContact CD1-CE2 3.65Å; L170-Y189 HydrophobicContact CD1-CG 4.01Å; L170-Y189 HydrophobicContact CG-CD1 4.32Å; L170-Y189 HydrophobicContact CG-CE1 3.66Å; L170-Y189 HydrophobicContact CG-CE2 4.22Å; L170-Y189 PolarHBondContact N-OH 3.23Å; Y189-L202 HydrophobicContact CE2-CD1 3.94Å |
| 190 | H | 90.3 | Very high | 89 | Confident | 145 Ų | 145 | 64.2 Ų | 64.2 | 67% | 0.671 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 153.9 | 177.5 | -62.6 | -81.4 | 0 | 0 | 0 | 111 | T188 | T188-H190 VanDerWaalsContact CG2-CE1 3.49Å; T188-H190 WeakPolarHBondContact CG2-CE1 3.47Å |
| 191 | G | 86.7 | Confident | 88.9 | Confident | 56 Ų | 56 | 61.9 Ų | 61.9 | 58% | 0.577 | 32% | 0.324 | S | S | * | . | S | Bend | trans | 72.3 | 29.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N131 | N131-G191 PolarHBondContact O-N 3.25Š|
| 192 | L | 86.1 | Confident | 88.8 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | trans | -80.4 | 123.1 | 173.1 | -72.7 | 171.1 | 0 | 0 | 0 | 109.7 | Y126 N131 L133 L160 D196 | Y126-L192 HydrophobicContact CE2-CB 4.24Å; Y126-L192 PolarHBondContact OH-O 3.12Å; N131-L192 WeakPolarHBondContact CB-O 3.19Å; N131-L192 PolarHBondContact O-N 3.47Å; L133-L192 HydrophobicContact CB-CD1 3.31Å; L133-L192 HydrophobicContact CD2-CD1 4.08Å; L133-L192 HydrophobicContact CG-CD1 4.34Å; L160-L192 HydrophobicContact CD1-CD1 4.29Å; L160-L192 HydrophobicContact CD1-CD2 3.76Å; L192-D196 HydrophobicContact CD2-CB 4.1Å | ||
| 193 | T | 85.9 | Confident | 88.4 | Confident | 68 Ų | 68 | 60.9 Ų | 60.9 | 42% | 0.417 | 31% | 0.311 | S | S | . | . | trans | -83.8 | 163.4 | 176.9 | 65.3 | 0 | 0 | 0 | 0 | 111.4 | E195 D196 M197 | T193-E195 PolarHBondContact O-N 2.88Å; T193-D196 PolarHBondContact N-OD2 2.84Å; T193-D196 WeakPolarHBondContact O-CA 3.22Å; T193-D196 VanDerWaalsContact O-CB 3.31Å; T193-D196 WeakPolarHBondContact O-CB 3.44Å; T193-D196 PolarHBondContact O-N 2.87Å; T193-D196 PolarHBondContact OG1-N 2.6Å; T193-D196 PolarHBondContact OG1-OD2 3.37Å; T193-M197 PolarHBondContact O-N 2.87Å | ||
| 194 | D | 83.5 | Confident | 88.2 | Confident | 77 Ų | 77 | 59.9 Ų | 59.9 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.2 | -30.4 | 174.2 | -69.3 | -25 | 0 | 0 | 0 | 112.4 | Y126 Q128 M197 Q198 | Y126-D194 PolarHBondContact OH-OD1 3.35Å; Q128-D194 PolarHBondContact NE2-OD2 2.73Å; D194-M197 PolarHBondContact O-N 3.09Å; D194-Q198 WeakPolarHBondContact O-CG 3.16Å; D194-Q198 PolarHBondContact O-N 2.75Å; D194-Q198 VanDerWaalsContact O-N 3.16Å |
| 195 | E | 82.9 | Confident | 88 | Confident | 110 Ų | 110 | 55 Ų | 55 | 51% | 0.514 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 171.9 | -178.6 | 168.6 | -158.8 | 0 | 0 | 111.5 | T193 M197 Q198 R199 | T193-E195 PolarHBondContact O-N 2.88Å; E195-M197 VanDerWaalsContact C-N 3.3Å; E195-M197 PolarHBondContact O-N 2.83Å; E195-Q198 PolarHBondContact O-N 2.78Å; E195-Q198 VanDerWaalsContact O-N 3.11Å; E195-R199 HydrophobicContact CG-CG 4.44Å; E195-R199 PolarHBondContact O-N 3.11Å; E195-R199 IonicContact OE1-CZ 3.27Å; E195-R199 VanDerWaalsContact OE1-CZ 3.27Å; E195-R199 IonicContact OE1-NE 2.92Å; E195-R199 PolarHBondContact OE1-NE 2.81Å; E195-R199 IonicContact OE1-NH2 2.89Å; E195-R199 PolarHBondContact OE1-NH2 2.79Å |
| 196 | D | 84.8 | Confident | 87.8 | Confident | 38 Ų | 38 | 52.9 Ų | 52.9 | 20% | 0.203 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 174.6 | -64.1 | -49.4 | 0 | 0 | 0 | 111.2 | L192 T193 Q198 R199 K200 | L192-D196 HydrophobicContact CD2-CB 4.1Å; T193-D196 PolarHBondContact N-OD2 2.84Å; T193-D196 WeakPolarHBondContact O-CA 3.22Å; T193-D196 VanDerWaalsContact O-CB 3.31Å; T193-D196 WeakPolarHBondContact O-CB 3.44Å; T193-D196 PolarHBondContact O-N 2.87Å; T193-D196 PolarHBondContact OG1-N 2.6Å; T193-D196 PolarHBondContact OG1-OD2 3.37Å; D196-Q198 PolarHBondContact O-N 3.15Å; D196-R199 PolarHBondContact O-N 2.84Å; D196-K200 HydrophobicContact CB-CD 4.1Å; D196-K200 HydrophobicContact CB-CG 4.17Å; D196-K200 WeakPolarHBondContact O-CA 3.46Å; D196-K200 WeakPolarHBondContact O-CB 3.34Å; D196-K200 VanDerWaalsContact O-CG 3.32Å; D196-K200 WeakPolarHBondContact O-CG 3.45Å; D196-K200 PolarHBondContact O-N 3.33Å; D196-K200 WeakPolarHBondContact OD1-CE 3.41Å; D196-K200 IonicContact OD1-NZ 3.63Å; D196-K200 PolarHBondContact OD1-NZ 3.24Å |
| 197 | M | 85.6 | Confident | 87.5 | Confident | 17 Ų | 17 | 50.1 Ų | 50.1 | 8% | 0.084 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.6 | -32.1 | 175 | -68.9 | -59.9 | -65.9 | 0 | 0 | 112.2 | Y126 T193 D194 E195 L225 K226 L228 | Y126-M197 HydrophobicContact CD1-CE 3.88Å; Y126-M197 HydrophobicContact CD1-CG 4.18Å; Y126-M197 HydrophobicContact CD1-SD 4.31Å; Y126-M197 HydrophobicContact CD2-CE 3.99Å; Y126-M197 HydrophobicContact CD2-CG 4.11Å; Y126-M197 HydrophobicContact CD2-SD 3.61Å; Y126-M197 HydrophobicContact CE1-CE 4.48Å; Y126-M197 HydrophobicContact CE1-CG 3.84Å; Y126-M197 HydrophobicContact CE1-SD 4.49Å; Y126-M197 HydrophobicContact CE2-CG 3.76Å; Y126-M197 HydrophobicContact CE2-SD 3.83Å; Y126-M197 HydrophobicContact CG-CE 3.58Å; Y126-M197 HydrophobicContact CG-CG 4.29Å; Y126-M197 HydrophobicContact CG-SD 3.86Å; T193-M197 PolarHBondContact O-N 2.87Å; D194-M197 PolarHBondContact O-N 3.09Å; E195-M197 VanDerWaalsContact C-N 3.3Å; E195-M197 PolarHBondContact O-N 2.83Å; M197-L225 HydrophobicContact CE-CB 3.94Å; M197-L225 CarbonylContact O-C 3.18Å; M197-L225 WeakPolarHBondContact O-CB 3.4Å; M197-L225 HydrophobicContact SD-CB 4Å; M197-L225 HydrophobicContact SD-CD1 3.79Å; M197-L225 HydrophobicContact SD-CG 4.43Å; M197-K226 VanDerWaalsContact O-CA 3.27Å; M197-K226 WeakPolarHBondContact O-CA 3.43Å; M197-K226 PolarHBondContact O-N 3.47Å; M197-L228 HydrophobicContact CE-CB 4.21Å; M197-L228 HydrophobicContact CE-CD1 4.23Å |
| 198 | Q | 81.9 | Confident | 87.1 | Confident | 136 Ų | 136 | 49.2 Ų | 49.2 | 64% | 0.636 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -78.4 | -36.6 | 178.2 | -69.1 | -179.1 | 15.2 | 0 | 0 | 113.5 | D194 E195 D196 | D194-Q198 WeakPolarHBondContact O-CG 3.16Å; D194-Q198 PolarHBondContact O-N 2.75Å; D194-Q198 VanDerWaalsContact O-N 3.16Å; E195-Q198 PolarHBondContact O-N 2.78Å; E195-Q198 VanDerWaalsContact O-N 3.11Å; D196-Q198 PolarHBondContact O-N 3.15Å |
| 199 | R | 80.6 | Confident | 86.6 | Confident | 170 Ų | 170 | 50 Ų | 50 | 64% | 0.642 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -99.1 | -28.6 | -171.7 | -61.3 | -175.1 | -169.5 | -84.7 | 4 | 113.9 | E195 D196 | E195-R199 HydrophobicContact CG-CG 4.44Å; E195-R199 PolarHBondContact O-N 3.11Å; E195-R199 IonicContact OE1-CZ 3.27Å; E195-R199 VanDerWaalsContact OE1-CZ 3.27Å; E195-R199 IonicContact OE1-NE 2.92Å; E195-R199 PolarHBondContact OE1-NE 2.81Å; E195-R199 IonicContact OE1-NH2 2.89Å; E195-R199 PolarHBondContact OE1-NH2 2.79Å; D196-R199 PolarHBondContact O-N 2.84Å |
| 200 | K | 83.8 | Confident | 86 | Confident | 31 Ų | 31 | 51.3 Ų | 51.3 | 14% | 0.135 | 26% | 0.26 | C | S | . | . | trans | -86.2 | 155 | -171.6 | -59.5 | -160.8 | -163.1 | -162.8 | 0 | 113.9 | L160 L161 D196 L225 | L160-K200 HydrophobicContact CB-CD 4.32Å; L161-K200 CarbonylContact O-C 3.55Å; L161-K200 WeakPolarHBondContact O-CA 3.35Å; L161-K200 VanDerWaalsContact O-CB 3.28Å; L161-K200 WeakPolarHBondContact O-CB 3.42Å; D196-K200 HydrophobicContact CB-CD 4.1Å; D196-K200 HydrophobicContact CB-CG 4.17Å; D196-K200 WeakPolarHBondContact O-CA 3.46Å; D196-K200 WeakPolarHBondContact O-CB 3.34Å; D196-K200 VanDerWaalsContact O-CG 3.32Å; D196-K200 WeakPolarHBondContact O-CG 3.45Å; D196-K200 PolarHBondContact O-N 3.33Å; D196-K200 WeakPolarHBondContact OD1-CE 3.41Å; D196-K200 IonicContact OD1-NZ 3.63Å; D196-K200 PolarHBondContact OD1-NZ 3.24Å; K200-L225 HydrophobicContact CB-CD1 3.91Å; K200-L225 HydrophobicContact CB-CG 4.42Å; K200-L225 WeakPolarHBondContact O-CB 3.22Å; K200-L225 PolarHBondContact O-N 3.47Å | ||
| 201 | T | 85.9 | Confident | 84.5 | Confident | 40 Ų | 40 | 50.5 Ų | 50.5 | 25% | 0.245 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 126.2 | 174.4 | -62.8 | 0 | 0 | 0 | 0 | 108.2 | L161 R222 V223 | L161-T201 PolarHBondContact N-O 2.92Å; L161-T201 PolarHBondContact O-N 2.84Å; T201-R222 HydrophobicContact CG2-CB 3.87Å; T201-R222 HydrophobicContact CG2-CG 4.46Å; T201-V223 CarbonylContact C-O 3.6Å; T201-V223 WeakPolarHBondContact CA-O 3.49Å |
| 202 | L | 90 | Very high | 82.7 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 119.9 | 169.8 | 179.3 | 66.5 | 0 | 0 | 0 | 108.8 | L124 L133 L158 L160 Y189 L204 R222 V223 L225 | L124-L202 HydrophobicContact CD1-CD2 3.91Å; L124-L202 HydrophobicContact CD2-CD2 3.56Å; L124-L202 HydrophobicContact CG-CD2 4.42Å; L133-L202 HydrophobicContact CD2-CD2 4.45Å; L158-L202 HydrophobicContact CB-CD1 4.14Å; L158-L202 HydrophobicContact CD2-CD1 4.44Å; L158-L202 HydrophobicContact CG-CD1 4.37Å; L160-L202 HydrophobicContact CD2-CB 4.17Å; L160-L202 HydrophobicContact CD2-CD1 3.88Å; L160-L202 HydrophobicContact CG-CD1 4.36Å; Y189-L202 HydrophobicContact CE2-CD1 3.94Å; L202-L204 HydrophobicContact CD2-CD1 3.98Å; L202-L204 HydrophobicContact CD2-CG 4.47Å; L202-L204 HydrophobicContact CG-CD1 3.92Å; L202-L204 HydrophobicContact CG-CG 4.41Å; L202-R222 CarbonylContact O-C 3.5Å; L202-R222 WeakPolarHBondContact O-CA 3.39Å; L202-V223 PolarHBondContact N-O 2.95Å; L202-V223 PolarHBondContact O-N 2.88Å; L202-L225 HydrophobicContact CB-CD2 3.85Å |
| 203 | R | 87.1 | Confident | 81.4 | Confident | 61 Ų | 61 | 59.8 Ų | 59.8 | 23% | 0.23 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 128.5 | 170.7 | -176.6 | 179.6 | 71.7 | 172.2 | 2.9 | 109.2 | L158 H159 L161 E220 T221 R222 | L158-R203 CarbonylContact C-O 3.57Å; L158-R203 WeakPolarHBondContact CA-O 3.28Å; H159-R203 HydrophobicContact CB-CB 4.46Å; H159-R203 PolarHBondContact N-O 2.91Å; H159-R203 PolarHBondContact ND1-NH2 2.82Å; H159-R203 PolarHBondContact O-N 2.68Å; L161-R203 HydrophobicContact CD1-CB 4.2Å; R203-E220 WeakPolarHBondContact CD-OE2 3.36Å; R203-T221 WeakPolarHBondContact CA-O 3.43Å; R203-R222 HydrophobicContact CB-CG 4.28Å; R203-R222 HydrophobicContact CG-CG 4.08Å |
| 204 | L | 91.9 | Very high | 80 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 121.2 | 171.4 | -57.6 | 91.7 | 0 | 0 | 0 | 107.6 | L120 F122 I137 V156 K157 L158 L202 E220 T221 V223 | L120-L204 HydrophobicContact CD2-CB 4.12Å; L120-L204 HydrophobicContact CD2-CD2 4.06Å; F122-L204 HydrophobicContact CD1-CD2 4.13Å; F122-L204 HydrophobicContact CD2-CD2 3.95Å; F122-L204 HydrophobicContact CE1-CD1 4.42Å; F122-L204 HydrophobicContact CE1-CD2 4.27Å; F122-L204 HydrophobicContact CE2-CD1 3.96Å; F122-L204 HydrophobicContact CE2-CD2 4.13Å; F122-L204 HydrophobicContact CG-CD2 3.95Å; F122-L204 HydrophobicContact CZ-CD1 3.86Å; F122-L204 HydrophobicContact CZ-CD2 4.28Å; I137-L204 HydrophobicContact CD1-CD2 3.62Å; V156-L204 HydrophobicContact CG1-CB 4.19Å; V156-L204 HydrophobicContact CG1-CD2 4.5Å; K157-L204 WeakPolarHBondContact O-CA 3.49Å; L158-L204 HydrophobicContact CD1-CD2 4.47Å; L158-L204 HydrophobicContact CG-CD2 4.38Å; L158-L204 HydrophobicContact CG-CG 4.31Å; L202-L204 HydrophobicContact CD2-CD1 3.98Å; L202-L204 HydrophobicContact CD2-CG 4.47Å; L202-L204 HydrophobicContact CG-CD1 3.92Å; L202-L204 HydrophobicContact CG-CG 4.41Å; L204-E220 CarbonylContact O-C 3.48Å; L204-E220 VanDerWaalsContact O-CA 3.22Å; L204-E220 WeakPolarHBondContact O-CA 3.3Å; L204-E220 WeakPolarHBondContact O-CB 3.4Å; L204-T221 HydrophobicContact CB-CG2 3.85Å; L204-T221 HydrophobicContact CD1-CG2 4.05Å; L204-T221 HydrophobicContact CG-CG2 4.48Å; L204-T221 PolarHBondContact N-O 2.8Å; L204-T221 PolarHBondContact O-N 2.85Å; L204-V223 HydrophobicContact CD1-CG2 4.45Å |
| 205 | S | 90.1 | Very high | 79.2 | Confident | 9 Ų | 9 | 65.3 Ų | 65.3 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 121.1 | 179.8 | -58.5 | 0 | 0 | 0 | 0 | 108.8 | V156 K157 G219 | V156-S205 CarbonylContact C-O 3.53Å; V156-S205 WeakPolarHBondContact CA-O 3.24Å; K157-S205 PolarHBondContact N-O 2.74Å; K157-S205 PolarHBondContact O-N 3.23Å; S205-G219 CarbonylContact C-O 3.59Å |
| 206 | V | 91.4 | Very high | 78.8 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 125.7 | 173.4 | -172.6 | 0 | 0 | 0 | 0 | 107.9 | L120 L143 P154 Y155 V156 I218 G219 L240 | L120-V206 HydrophobicContact CD1-CG2 4.37Å; L120-V206 HydrophobicContact CD2-CG2 4.12Å; L143-V206 HydrophobicContact CD1-CG1 4.07Å; L143-V206 HydrophobicContact CD2-CG1 4.32Å; P154-V206 HydrophobicContact CB-CG1 4.38Å; Y155-V206 WeakPolarHBondContact O-CA 3.41Å; V156-V206 HydrophobicContact CG1-CG2 4.42Å; V156-V206 HydrophobicContact CG2-CG2 4.18Å; V206-I218 HydrophobicContact CB-CB 4.46Å; V206-I218 HydrophobicContact CG1-CB 4.32Å; V206-I218 HydrophobicContact CG1-CD1 4.24Å; V206-I218 WeakPolarHBondContact O-CB 3.39Å; V206-I218 PolarHBondContact O-N 3.1Å; V206-G219 PolarHBondContact N-O 2.75Å; V206-G219 PolarHBondContact O-N 2.84Å; V206-L240 HydrophobicContact CB-CD1 3.85Å; V206-L240 HydrophobicContact CB-CD2 4.45Å; V206-L240 HydrophobicContact CG1-CD1 4.32Å; V206-L240 HydrophobicContact CG2-CD1 3.65Å; V206-L240 HydrophobicContact CG2-CD2 3.64Å; V206-L240 HydrophobicContact CG2-CG 4.31Å |
| 207 | C | 88.8 | Confident | 78.6 | Confident | 14 Ų | 14 | 65.8 Ų | 65.8 | 10% | 0.095 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 154.6 | -178.3 | -61.2 | 0 | 0 | 0 | 0 | 109.3 | P154 Y155 E216 | P154-C207 CarbonylContact C-O 3.54Å; P154-C207 WeakPolarHBondContact CA-O 3.37Å; Y155-C207 HydrophobicContact CD1-CB 4.21Å; Y155-C207 WeakPolarHBondContact CD1-O 3.21Å; Y155-C207 HydrophobicContact CE1-CB 3.54Å; Y155-C207 HydrophobicContact CE2-CB 3.98Å; Y155-C207 VanDerWaalsContact CZ-CB 3.4Å; Y155-C207 PolarHBondContact N-O 3.35Å; Y155-C207 PolarHBondContact O-N 3.1Å; Y155-C207 WeakPolarHBondContact OH-CB 3.11Å; C207-E216 CarbonylContact C-O 3.6Å; C207-E216 WeakPolarHBondContact CA-O 3.28Å |
| 208 | D | 86.2 | Confident | 78.5 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 139.3 | 167.6 | -157.7 | -8.8 | 0 | 0 | 0 | 110.2 | M146 A152 D153 N215 E216 I218 | M146-D208 HydrophobicContact CB-CB 4.21Å; M146-D208 VanDerWaalsContact CB-OD2 3.29Å; M146-D208 WeakPolarHBondContact CB-OD2 3.42Å; A152-D208 WeakPolarHBondContact CA-OD2 3.25Å; A152-D208 WeakPolarHBondContact CB-OD2 3.49Å; D153-D208 VanDerWaalsContact C-OD1 3.25Å; D153-D208 WeakPolarHBondContact CA-OD1 3.05Å; D153-D208 VanDerWaalsContact CB-OD1 3.26Å; D153-D208 WeakPolarHBondContact CB-OD1 3.26Å; D153-D208 PolarHBondContact N-OD1 3.26Å; D208-N215 CarbonylContact O-C 3.57Å; D208-N215 VanDerWaalsContact O-CA 3.23Å; D208-N215 WeakPolarHBondContact O-CA 3.47Å; D208-N215 VanDerWaalsContact O-CB 3.25Å; D208-N215 WeakPolarHBondContact O-CB 3.24Å; D208-E216 HydrophobicContact CB-CB 4.32Å; D208-E216 PolarHBondContact N-O 3.38Å; D208-E216 PolarHBondContact O-N 3Å; D208-I218 HydrophobicContact CB-CD1 4.17Å; D208-I218 HydrophobicContact CB-CG1 4.37Å |
| 209 | E | 84.1 | Confident | 78.5 | Confident | 58 Ų | 58 | 58.6 Ų | 58.6 | 27% | 0.271 | 28% | 0.279 | S | S | . | . | trans | -108 | 92.3 | 176.6 | -167.9 | 170.3 | -132.5 | 0 | 0 | 111 | D153 Y155 R171 T174 | D153-E209 PolarHBondContact O-N 2.82Å; D153-E209 VanDerWaalsContact O-N 3.11Å; Y155-E209 HydrophobicContact CD1-CB 3.78Å; Y155-E209 HydrophobicContact CE1-CB 3.74Å; Y155-E209 HydrophobicContact CE1-CG 4.43Å; R171-E209 IonicContact CZ-OE1 3.62Å; R171-E209 IonicContact NH1-OE1 3.14Å; R171-E209 PolarHBondContact NH1-OE1 3.11Å; R171-E209 IonicContact NH2-OE1 2.74Å; R171-E209 PolarHBondContact NH2-OE1 2.78Å; R171-E209 IonicContact NH2-OE2 3.17Å; R171-E209 PolarHBondContact NH2-OE2 2.76Å; T174-E209 WeakPolarHBondContact CB-OE2 3.44Å; T174-E209 HydrophobicContact CG2-CB 3.67Å; T174-E209 HydrophobicContact CG2-CG 4.48Å; T174-E209 VanDerWaalsContact CG2-OE2 3.3Å; T174-E209 WeakPolarHBondContact CG2-OE2 3.22Å; T174-E209 PolarHBondContact OG1-OE2 3.18Å | ||
| 210 | D | 78.8 | Confident | 78.9 | Confident | 41 Ų | 41 | 50.8 Ų | 50.8 | 22% | 0.219 | 25% | 0.249 | C | C | . | . | trans | -72.5 | 132.8 | 174.3 | -65.9 | -71 | 0 | 0 | 0 | 112.7 | F212 | D210-F212 VanDerWaalsContact C-N 3.26Å; D210-F212 PolarHBondContact O-N 3.48Å | ||
| 211 | K | 58.7 | Low | 78.9 | Confident | 128 Ų | 128 | 49.8 Ų | 49.8 | 56% | 0.557 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -67.5 | -24.4 | 175.6 | -71.7 | -179.1 | -179 | 174 | 0 | 114.1 | ||
| 212 | F | 49.5 | Very low | 79 | Confident | 211 Ų | 211 | 52.3 Ų | 52.3 | 93% | 0.925 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -140.1 | 26.8 | -172.6 | -67.7 | -76.9 | 0 | 0 | 0 | 113.3 | D210 | D210-F212 VanDerWaalsContact C-N 3.26Å; D210-F212 PolarHBondContact O-N 3.48Å |
| 213 | G | 57.3 | Low | 78.8 | Confident | 46 Ų | 46 | 52.9 Ų | 52.9 | 47% | 0.474 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -145 | -171.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 214 | H | 56.8 | Low | 78.8 | Confident | 184 Ų | 184 | 50.9 Ų | 50.9 | 85% | 0.852 | 25% | 0.251 | S | S | * | . | trans | -86.4 | 121.5 | 169.9 | -67.8 | -68.1 | 0 | 0 | 0 | 109.1 | E216 | H214-E216 PolarHBondContact O-N 3.36Š| ||
| 215 | N | 68.1 | Low | 78.5 | Confident | 77 Ų | 77 | 50.9 Ų | 50.9 | 41% | 0.412 | 25% | 0.251 | S | S | . | . | trans | -44.4 | 114.9 | 176 | -64.8 | 23.4 | 0 | 0 | 0 | 112 | Y155 D208 | Y155-N215 PolarHBondContact OH-ND2 2.98Å; D208-N215 CarbonylContact O-C 3.57Å; D208-N215 VanDerWaalsContact O-CA 3.23Å; D208-N215 WeakPolarHBondContact O-CA 3.47Å; D208-N215 VanDerWaalsContact O-CB 3.25Å; D208-N215 WeakPolarHBondContact O-CB 3.24Å | ||
| 216 | E | 72.9 | Confident | 78.3 | Confident | 91 Ų | 91 | 57.6 Ų | 57.6 | 43% | 0.425 | 28% | 0.279 | S | S | . | . | trans | -83.8 | 134.5 | -175.3 | -165.9 | 159.5 | -153 | 0 | 0 | 111.7 | M146 C207 D208 H214 I218 | M146-E216 HydrophobicContact CB-CB 4.39Å; M146-E216 WeakPolarHBondContact CB-OE2 3.37Å; M146-E216 HydrophobicContact CE-CG 4.41Å; M146-E216 HydrophobicContact CG-CB 4.47Å; M146-E216 HydrophobicContact CG-CG 4.28Å; M146-E216 HydrophobicContact SD-CG 4.2Å; C207-E216 CarbonylContact C-O 3.6Å; C207-E216 WeakPolarHBondContact CA-O 3.28Å; D208-E216 HydrophobicContact CB-CB 4.32Å; D208-E216 PolarHBondContact N-O 3.38Å; D208-E216 PolarHBondContact O-N 3Å; H214-E216 PolarHBondContact O-N 3.36Å; E216-I218 PolarHBondContact O-N 2.92Å | ||
| 217 | F | 81.3 | Confident | 77.9 | Confident | 67 Ų | 67 | 60.2 Ų | 60.2 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 121.3 | 178.7 | 173.4 | -91.8 | 0 | 0 | 0 | 110.3 | E220 V243 | F217-E220 HydrophobicContact CE2-CB 3.98Å; F217-E220 HydrophobicContact CZ-CB 3.71Å; F217-E220 HydrophobicContact CZ-CG 3.97Å; F217-E220 VanDerWaalsContact CZ-N 3.32Å; F217-V243 HydrophobicContact CD1-CG2 3.74Å; F217-V243 HydrophobicContact CE1-CB 4.41Å; F217-V243 HydrophobicContact CE1-CG2 3.24Å; F217-V243 HydrophobicContact CE2-CG2 4.06Å; F217-V243 HydrophobicContact CG-CG2 4.34Å; F217-V243 HydrophobicContact CZ-CG2 3.38Å |
| 218 | I | 82.5 | Confident | 77.7 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -51.5 | 178.4 | -58.2 | 177.3 | 0 | 0 | 0 | 110 | L117 K144 M146 A152 P154 V206 D208 E216 L240 | L117-I218 WeakPolarHBondContact CD1-O 3.42Å; L117-I218 VanDerWaalsContact CD2-O 3.28Å; L117-I218 WeakPolarHBondContact CD2-O 3.23Å; L117-I218 WeakPolarHBondContact O-CG2 3.28Å; K144-I218 HydrophobicContact CB-CG2 4.3Å; M146-I218 HydrophobicContact CE-CB 4.32Å; M146-I218 HydrophobicContact CE-CG1 4.09Å; M146-I218 HydrophobicContact CE-CG2 4.48Å; M146-I218 HydrophobicContact CG-CD1 4.45Å; M146-I218 HydrophobicContact CG-CG1 3.9Å; A152-I218 HydrophobicContact CB-CD1 4.31Å; P154-I218 HydrophobicContact CB-CD1 4.41Å; V206-I218 HydrophobicContact CB-CB 4.46Å; V206-I218 HydrophobicContact CG1-CB 4.32Å; V206-I218 HydrophobicContact CG1-CD1 4.24Å; V206-I218 WeakPolarHBondContact O-CB 3.39Å; V206-I218 PolarHBondContact O-N 3.1Å; D208-I218 HydrophobicContact CB-CD1 4.17Å; D208-I218 HydrophobicContact CB-CG1 4.37Å; E216-I218 PolarHBondContact O-N 2.92Å; I218-L240 HydrophobicContact CG2-CD1 4.45Å |
| 219 | G | 83.4 | Confident | 77.6 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.8 | 166 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S205 V206 E241 | S205-G219 CarbonylContact C-O 3.59Å; V206-G219 PolarHBondContact N-O 2.75Å; V206-G219 PolarHBondContact O-N 2.84Å; G219-E241 CarbonylContact C-O 3.54Å; G219-E241 VanDerWaalsContact CA-O 3.29Å; G219-E241 WeakPolarHBondContact CA-O 3.1Å |
| 220 | E | 87.8 | Confident | 77.8 | Confident | 6 Ų | 6 | 70.4 Ų | 70.4 | 3% | 0.028 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 162.1 | 178.2 | 71.3 | 172.2 | -134 | 0 | 0 | 113.5 | R203 L204 F217 R222 E241 | R203-E220 WeakPolarHBondContact CD-OE2 3.36Å; L204-E220 CarbonylContact O-C 3.48Å; L204-E220 VanDerWaalsContact O-CA 3.22Å; L204-E220 WeakPolarHBondContact O-CA 3.3Å; L204-E220 WeakPolarHBondContact O-CB 3.4Å; F217-E220 HydrophobicContact CE2-CB 3.98Å; F217-E220 HydrophobicContact CZ-CB 3.71Å; F217-E220 HydrophobicContact CZ-CG 3.97Å; F217-E220 VanDerWaalsContact CZ-N 3.32Å; E220-R222 IonicContact OE1-CZ 3.39Å; E220-R222 IonicContact OE1-NE 3.54Å; E220-R222 PolarHBondContact OE1-NE 2.8Å; E220-R222 IonicContact OE1-NH2 3.11Å; E220-R222 PolarHBondContact OE1-NH2 2.84Å; E220-E241 PolarHBondContact N-O 2.8Å; E220-E241 WeakPolarHBondContact O-CB 3.27Å; E220-E241 PolarHBondContact O-N 2.9Å |
| 221 | T | 84.3 | Confident | 78.2 | Confident | 10 Ų | 10 | 72.7 Ų | 72.7 | 6% | 0.061 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 154 | 167.7 | -174.3 | 0 | 0 | 0 | 0 | 109.6 | L120 F122 R203 L204 V238 | L120-T221 HydrophobicContact CD2-CG2 4.42Å; F122-T221 HydrophobicContact CE1-CG2 4.04Å; F122-T221 HydrophobicContact CZ-CG2 4.34Å; R203-T221 WeakPolarHBondContact CA-O 3.43Å; L204-T221 HydrophobicContact CB-CG2 3.85Å; L204-T221 HydrophobicContact CD1-CG2 4.05Å; L204-T221 HydrophobicContact CG-CG2 4.48Å; L204-T221 PolarHBondContact N-O 2.8Å; L204-T221 PolarHBondContact O-N 2.85Å; T221-V238 HydrophobicContact CG2-CG2 3.75Å |
| 222 | R | 88.3 | Confident | 79.6 | Confident | 93 Ų | 93 | 71.6 Ų | 71.6 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 132.8 | -176.5 | -65.1 | -177.3 | -173.2 | -173.1 | 5.1 | 111.2 | T201 L202 R203 E220 | T201-R222 HydrophobicContact CG2-CB 3.87Å; T201-R222 HydrophobicContact CG2-CG 4.46Å; L202-R222 CarbonylContact O-C 3.5Å; L202-R222 WeakPolarHBondContact O-CA 3.39Å; R203-R222 HydrophobicContact CB-CG 4.28Å; R203-R222 HydrophobicContact CG-CG 4.08Å; E220-R222 IonicContact OE1-CZ 3.39Å; E220-R222 IonicContact OE1-NE 3.54Å; E220-R222 PolarHBondContact OE1-NE 2.8Å; E220-R222 IonicContact OE1-NH2 3.11Å; E220-R222 PolarHBondContact OE1-NH2 2.84Å |
| 223 | V | 85.1 | Confident | 81.5 | Confident | 12 Ų | 12 | 66.6 Ų | 66.6 | 7% | 0.073 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 112.5 | 176.5 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | F122 L124 T201 L202 L204 L225 F236 | F122-V223 HydrophobicContact CE2-CG2 3.99Å; F122-V223 HydrophobicContact CZ-CG2 3.74Å; L124-V223 HydrophobicContact CD1-CB 4.12Å; L124-V223 HydrophobicContact CD1-CG1 3.87Å; L124-V223 HydrophobicContact CD1-CG2 4.34Å; T201-V223 CarbonylContact C-O 3.6Å; T201-V223 WeakPolarHBondContact CA-O 3.49Å; L202-V223 PolarHBondContact N-O 2.95Å; L202-V223 PolarHBondContact O-N 2.88Å; L204-V223 HydrophobicContact CD1-CG2 4.45Å; V223-L225 PolarHBondContact O-N 3.2Å; V223-F236 HydrophobicContact CG1-CE1 4.22Å; V223-F236 HydrophobicContact CG1-CZ 3.91Å; V223-F236 HydrophobicContact CG2-CE1 4.45Å |
| 224 | A | 87.1 | Confident | 83.1 | Confident | 19 Ų | 19 | 68.1 Ų | 68.1 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 122.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | K226 K227 | A224-K226 HydrophobicContact CB-CG 4.17Å; A224-K226 PolarHBondContact O-N 2.88Å; A224-K227 HydrophobicContact CB-CD 4.31Å; A224-K227 HydrophobicContact CB-CG 4.38Å; A224-K227 WeakPolarHBondContact O-CB 3.16Å; A224-K227 PolarHBondContact O-N 2.92Å |
| 225 | L | 86.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -63.8 | -28.1 | -173 | -64.5 | -170.5 | 0 | 0 | 0 | 112.4 | L133 L160 M197 K200 L202 V223 K227 L228 | L133-L225 HydrophobicContact CD2-CD1 4.18Å; L133-L225 HydrophobicContact CD2-CD2 3.71Å; L160-L225 HydrophobicContact CD2-CD1 3.91Å; M197-L225 HydrophobicContact CE-CB 3.94Å; M197-L225 CarbonylContact O-C 3.18Å; M197-L225 WeakPolarHBondContact O-CB 3.4Å; M197-L225 HydrophobicContact SD-CB 4Å; M197-L225 HydrophobicContact SD-CD1 3.79Å; M197-L225 HydrophobicContact SD-CG 4.43Å; K200-L225 HydrophobicContact CB-CD1 3.91Å; K200-L225 HydrophobicContact CB-CG 4.42Å; K200-L225 WeakPolarHBondContact O-CB 3.22Å; K200-L225 PolarHBondContact O-N 3.47Å; L202-L225 HydrophobicContact CB-CD2 3.85Å; V223-L225 PolarHBondContact O-N 3.2Å; L225-K227 PolarHBondContact O-N 3.22Å; L225-L228 HydrophobicContact CD2-CD1 3.99Å; L225-L228 WeakPolarHBondContact O-CB 3.38Å; L225-L228 PolarHBondContact O-N 3.01Å |
| 226 | K | 85.5 | Confident | 85.6 | Confident | 150 Ų | 150 | 62 Ų | 62 | 65% | 0.652 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -58.3 | -16.9 | 175.2 | 70.9 | -179.7 | -178.8 | -179.9 | 0 | 114.3 | M197 A224 L228 | M197-K226 VanDerWaalsContact O-CA 3.27Å; M197-K226 WeakPolarHBondContact O-CA 3.43Å; M197-K226 PolarHBondContact O-N 3.47Å; A224-K226 HydrophobicContact CB-CG 4.17Å; A224-K226 PolarHBondContact O-N 2.88Å; K226-L228 VanDerWaalsContact C-N 3.34Å |
| 227 | K | 82.4 | Confident | 86.4 | Confident | 55 Ų | 55 | 62.8 Ų | 62.8 | 24% | 0.239 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -86.4 | -5.1 | 178 | -63.5 | 178.6 | 175.8 | 174.5 | 0 | 112.4 | A224 L225 N307 Y309 | A224-K227 HydrophobicContact CB-CD 4.31Å; A224-K227 HydrophobicContact CB-CG 4.38Å; A224-K227 WeakPolarHBondContact O-CB 3.16Å; A224-K227 PolarHBondContact O-N 2.92Å; L225-K227 PolarHBondContact O-N 3.22Å; K227-N307 PolarHBondContact NZ-O 3.25Å; K227-Y309 HydrophobicContact CD-CE2 4.29Å |
| 228 | L | 85.1 | Confident | 86.4 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 11% | 0.105 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -88.6 | 140.3 | 176.3 | -60.5 | 178.7 | 0 | 0 | 0 | 110.2 | L124 L133 M197 L225 K226 K234 F236 | L124-L228 HydrophobicContact CB-CD1 3.91Å; L124-L228 HydrophobicContact CB-CD2 3.98Å; L124-L228 HydrophobicContact CD1-CD1 3.99Å; L124-L228 HydrophobicContact CD1-CD2 4.18Å; L133-L228 HydrophobicContact CD1-CD1 3.78Å; M197-L228 HydrophobicContact CE-CB 4.21Å; M197-L228 HydrophobicContact CE-CD1 4.23Å; L225-L228 HydrophobicContact CD2-CD1 3.99Å; L225-L228 WeakPolarHBondContact O-CB 3.38Å; L225-L228 PolarHBondContact O-N 3.01Å; K226-L228 VanDerWaalsContact C-N 3.34Å; L228-K234 HydrophobicContact CD2-CB 4.22Å; L228-K234 HydrophobicContact CD2-CD 4.24Å; L228-F236 HydrophobicContact CD2-CE2 4.11Å; L228-F236 HydrophobicContact CD2-CZ 3.94Å |
| 229 | K | 85.4 | Confident | 86.4 | Confident | 141 Ų | 141 | 63 Ų | 63 | 61% | 0.613 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -91.1 | 138.9 | 170.5 | -69.8 | -173.5 | -179.6 | -179.7 | 0 | 108.5 | Q232 | K229-Q232 HydrophobicContact CB-CB 4.04Å; K229-Q232 PolarHBondContact O-N 3.43Å |
| 230 | M | 86.8 | Confident | 86.3 | Confident | 126 Ų | 126 | 63 Ų | 63 | 62% | 0.621 | 31% | 0.305 | S | S | * | . | B | Isolated β-bridge | trans | -54.8 | 137.2 | 174 | 55.3 | -174.5 | 80 | 0 | 0 | 111.2 | Q232 | M230-Q232 PolarHBondContact O-N 2.96Å |
| 231 | N | 87.1 | Confident | 85.6 | Confident | 88 Ų | 88 | 66.3 Ų | 66.3 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 18.4 | 177.1 | -56.9 | -19.5 | 0 | 0 | 0 | 115.1 | Y126 D127 Q128 | Y126-N231 WeakPolarHBondContact O-CA 3.33Å; Y126-N231 PolarHBondContact O-N 3.08Å; Y126-N231 PolarHBondContact O-OD1 3.3Å; D127-N231 WeakPolarHBondContact CA-OD1 3.21Å; Q128-N231 PolarHBondContact N-OD1 2.98Å |
| 232 | Q | 88.8 | Confident | 84.7 | Confident | 105 Ų | 105 | 73.3 Ų | 73.3 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | trans | -120.1 | 115.1 | 178.1 | -178.1 | 172.7 | 95.7 | 0 | 0 | 110 | K229 M230 K234 | K229-Q232 HydrophobicContact CB-CB 4.04Å; K229-Q232 PolarHBondContact O-N 3.43Å; M230-Q232 PolarHBondContact O-N 2.96Å; Q232-K234 PolarHBondContact O-N 2.79Å | ||
| 233 | K | 90.2 | Very high | 83.2 | Confident | 106 Ų | 106 | 72.4 Ų | 72.4 | 46% | 0.461 | 35% | 0.35 | S | S | . | . | trans | -67.3 | 127.7 | 174.6 | -174.7 | 170.8 | -178.5 | 168.4 | 0 | 109.5 | L124 L125 | L124-K233 WeakPolarHBondContact O-CA 3.48Å; L125-K233 HydrophobicContact CB-CB 4.25Å; L125-K233 HydrophobicContact CB-CG 4.41Å; L125-K233 HydrophobicContact CD1-CB 4.32Å | ||
| 234 | K | 89.5 | Confident | 81.4 | Confident | 78 Ų | 78 | 75.7 Ų | 75.7 | 34% | 0.339 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 123.5 | 175.8 | -173.5 | 167.6 | 178.2 | 173.2 | 0 | 110 | G123 L124 L228 Q232 F236 | G123-K234 CarbonylContact C-O 3.53Å; G123-K234 VanDerWaalsContact CA-O 3.32Å; G123-K234 WeakPolarHBondContact CA-O 3.37Å; L124-K234 PolarHBondContact N-O 3.38Å; L124-K234 PolarHBondContact O-N 3.04Å; L228-K234 HydrophobicContact CD2-CB 4.22Å; L228-K234 HydrophobicContact CD2-CD 4.24Å; Q232-K234 PolarHBondContact O-N 2.79Å; K234-F236 HydrophobicContact CB-CE2 3.95Å; K234-F236 HydrophobicContact CB-CZ 4.27Å; K234-F236 HydrophobicContact CD-CE1 4.15Å; K234-F236 HydrophobicContact CD-CE2 4.1Å; K234-F236 HydrophobicContact CD-CZ 3.56Å; K234-F236 HydrophobicContact CG-CD2 4.42Å; K234-F236 HydrophobicContact CG-CE1 4.34Å; K234-F236 HydrophobicContact CG-CE2 3.72Å; K234-F236 HydrophobicContact CG-CZ 3.69Å; K234-F236 WeakPolarHBondContact O-CD2 3.27Å; K234-F236 WeakPolarHBondContact O-CE2 3.49Å |
| 235 | N | 91 | Very high | 79.1 | Confident | 107 Ų | 107 | 80 Ų | 80 | 57% | 0.572 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 142.2 | 176.9 | -60.4 | -28.7 | 0 | 0 | 0 | 110.3 | ||
| 236 | F | 87.6 | Confident | 76.7 | Confident | 26 Ų | 26 | 84.2 Ų | 84.2 | 11% | 0.114 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 137.1 | -179.3 | -62.7 | -91 | 0 | 0 | 0 | 108.4 | E121 F122 L124 V223 L228 K234 V238 | E121-F236 CarbonylContact C-O 3.5Å; E121-F236 VanDerWaalsContact CA-O 3.27Å; E121-F236 WeakPolarHBondContact CA-O 3.24Å; F122-F236 HydrophobicContact CD1-CB 4.08Å; F122-F236 HydrophobicContact CD2-CB 4.21Å; F122-F236 AromaticContact CD2-CD2 3.99Å; F122-F236 HydrophobicContact CD2-CD2 3.99Å; F122-F236 HydrophobicContact CD2-CG 4.42Å; F122-F236 HydrophobicContact CE1-CB 3.73Å; F122-F236 HydrophobicContact CE1-CG 4.46Å; F122-F236 HydrophobicContact CE2-CB 3.83Å; F122-F236 AromaticContact CE2-CD2 3.55Å; F122-F236 HydrophobicContact CE2-CD2 3.55Å; F122-F236 HydrophobicContact CE2-CE2 4.26Å; F122-F236 AromaticContact CE2-CG 3.79Å; F122-F236 HydrophobicContact CE2-CG 3.79Å; F122-F236 HydrophobicContact CG-CB 4.33Å; F122-F236 HydrophobicContact CZ-CB 3.58Å; F122-F236 HydrophobicContact CZ-CD1 4.49Å; F122-F236 HydrophobicContact CZ-CD2 4.09Å; F122-F236 AromaticContact CZ-CG 3.82Å; F122-F236 HydrophobicContact CZ-CG 3.82Å; F122-F236 PolarHBondContact N-O 3.49Å; F122-F236 PolarHBondContact O-N 3.49Å; L124-F236 HydrophobicContact CB-CE2 4.09Å; L124-F236 HydrophobicContact CD1-CD2 4.42Å; L124-F236 HydrophobicContact CD1-CE2 3.82Å; L124-F236 HydrophobicContact CD1-CZ 4.4Å; L124-F236 HydrophobicContact CG-CD2 4.21Å; L124-F236 HydrophobicContact CG-CE2 3.85Å; V223-F236 HydrophobicContact CG1-CE1 4.22Å; V223-F236 HydrophobicContact CG1-CZ 3.91Å; V223-F236 HydrophobicContact CG2-CE1 4.45Å; L228-F236 HydrophobicContact CD2-CE2 4.11Å; L228-F236 HydrophobicContact CD2-CZ 3.94Å; K234-F236 HydrophobicContact CB-CE2 3.95Å; K234-F236 HydrophobicContact CB-CZ 4.27Å; K234-F236 HydrophobicContact CD-CE1 4.15Å; K234-F236 HydrophobicContact CD-CE2 4.1Å; K234-F236 HydrophobicContact CD-CZ 3.56Å; K234-F236 HydrophobicContact CG-CD2 4.42Å; K234-F236 HydrophobicContact CG-CE1 4.34Å; K234-F236 HydrophobicContact CG-CE2 3.72Å; K234-F236 HydrophobicContact CG-CZ 3.69Å; K234-F236 WeakPolarHBondContact O-CD2 3.27Å; K234-F236 WeakPolarHBondContact O-CE2 3.49Å; F236-V238 HydrophobicContact CB-CG1 4.33Å |
| 237 | N | 88 | Confident | 74.2 | Confident | 108 Ų | 108 | 86.4 Ų | 86.4 | 58% | 0.578 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 105.5 | 165.5 | -179.4 | -1.5 | 0 | 0 | 0 | 105.9 | E121 | E121-N237 HydrophobicContact CG-CB 4.37Å |
| 238 | V | 81.6 | Confident | 71.9 | Confident | 32 Ų | 32 | 94.9 Ų | 94.9 | 19% | 0.194 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139.8 | -169.7 | -61.4 | 0 | 0 | 0 | 0 | 110.3 | S119 L120 F122 T221 F236 | S119-V238 CarbonylContact C-O 3.49Å; S119-V238 WeakPolarHBondContact CA-O 3.38Å; S119-V238 WeakPolarHBondContact CB-O 3.47Å; L120-V238 PolarHBondContact N-O 2.8Å; L120-V238 PolarHBondContact O-N 3.06Å; F122-V238 HydrophobicContact CE1-CG2 3.69Å; F122-V238 HydrophobicContact CZ-CG2 4.47Å; T221-V238 HydrophobicContact CG2-CG2 3.75Å; F236-V238 HydrophobicContact CB-CG1 4.33Å |
| 239 | C | 83.2 | Confident | 69.4 | Low | 42 Ų | 42 | 99.9 Ų | 99.9 | 28% | 0.284 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 145.1 | 168.6 | -58.9 | 0 | 0 | 0 | 0 | 109.8 | H300 | C239-H300 WeakPolarHBondContact CB-NE2 3.34Å |
| 240 | L | 81.1 | Confident | 67.2 | Low | 0 Ų | 0 | 97.9 Ų | 97.9 | 0% | 0 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 135.9 | 179.1 | -64.7 | 171.7 | 0 | 0 | 0 | 110.8 | L117 G118 L120 L143 V206 I218 | L117-L240 HydrophobicContact CB-CB 3.91Å; L117-L240 WeakPolarHBondContact CD1-O 3.41Å; G118-L240 PolarHBondContact O-N 2.83Å; L120-L240 HydrophobicContact CB-CD2 3.94Å; L120-L240 HydrophobicContact CB-CG 4.46Å; L120-L240 HydrophobicContact CD2-CD2 4.49Å; L143-L240 HydrophobicContact CD2-CD1 3.57Å; V206-L240 HydrophobicContact CB-CD1 3.85Å; V206-L240 HydrophobicContact CB-CD2 4.45Å; V206-L240 HydrophobicContact CG1-CD1 4.32Å; V206-L240 HydrophobicContact CG2-CD1 3.65Å; V206-L240 HydrophobicContact CG2-CD2 3.64Å; V206-L240 HydrophobicContact CG2-CG 4.31Å; I218-L240 HydrophobicContact CG2-CD1 4.45Å |
| 241 | E | 72.6 | Confident | 65.1 | Low | 75 Ų | 75 | 97.8 Ų | 97.8 | 35% | 0.35 | 51% | 0.51 | S | S | . | . | B | Isolated β-bridge | trans | -94.8 | 144.8 | 178.8 | -62.9 | 174 | -173.2 | 0 | 0 | 110.6 | L117 G219 E220 | L117-E241 VanDerWaalsContact CD1-C 3.45Å; G219-E241 CarbonylContact C-O 3.54Å; G219-E241 VanDerWaalsContact CA-O 3.29Å; G219-E241 WeakPolarHBondContact CA-O 3.1Å; E220-E241 PolarHBondContact N-O 2.8Å; E220-E241 WeakPolarHBondContact O-CB 3.27Å; E220-E241 PolarHBondContact O-N 2.9Å |
| 242 | R | 65.9 | Low | 62.7 | Low | 156 Ų | 156 | 98.4 Ų | 98.4 | 59% | 0.589 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 140.7 | 164 | -73 | -177.6 | -176.2 | -108.6 | 2.1 | 107 | L117 V244 | L117-R242 HydrophobicContact CD1-CB 4.22Å; L117-R242 HydrophobicContact CD1-CG 3.44Å; L117-R242 VanDerWaalsContact CD1-CG 3.44Å; L117-R242 VanDerWaalsContact CD1-N 3.35Å; L117-R242 HydrophobicContact CD2-CG 4.25Å; L117-R242 HydrophobicContact CG-CG 4.2Å; R242-V244 PolarHBondContact O-N 2.79Å |
| 243 | V | 57.9 | Low | 60.1 | Low | 75 Ų | 75 | 97.2 Ų | 97.2 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | trans | -45 | 110.8 | -177.1 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | F217 P245 | F217-V243 HydrophobicContact CD1-CG2 3.74Å; F217-V243 HydrophobicContact CE1-CB 4.41Å; F217-V243 HydrophobicContact CE1-CG2 3.24Å; F217-V243 HydrophobicContact CE2-CG2 4.06Å; F217-V243 HydrophobicContact CG-CG2 4.34Å; F217-V243 HydrophobicContact CZ-CG2 3.38Å; V243-P245 WeakPolarHBondContact O-CD 3.27Å | ||
| 244 | V | 46.8 | Very low | 57.8 | Low | 80 Ų | 80 | 96.2 Ų | 96.2 | 49% | 0.485 | 56% | 0.563 | S | S | . | * | trans | -66.2 | 117.1 | 165.1 | 178.6 | 0 | 0 | 0 | 0 | 105.6 | R242 T246 | R242-V244 PolarHBondContact O-N 2.79Å; V244-T246 VanDerWaalsContact C-N 3.31Å; V244-T246 PolarHBondContact O-N 3Å | ||
| 245 | P | 38.2 | Very low | 55.2 | Low | 109 Ų | 109 | 97.1 Ų | 97.1 | 71% | 0.708 | 59% | 0.585 | S | S | * | * | trans | -62.1 | 101.7 | 170.8 | -14.1 | 28.5 | 0 | 0 | 0 | 106.3 | V243 K247 | V243-P245 WeakPolarHBondContact O-CD 3.27Å; P245-K247 PolarHBondContact O-N 2.9Å | ||
| 246 | T | 37.1 | Very low | 52.8 | Low | 89 Ų | 89 | 104.3 Ų | 104.3 | 55% | 0.546 | 60% | 0.604 | S | S | . | * | trans | -63.5 | 98.7 | 164.3 | 41.1 | 0 | 0 | 0 | 0 | 105.1 | V244 R248 | V244-T246 VanDerWaalsContact C-N 3.31Å; V244-T246 PolarHBondContact O-N 3Å; T246-R248 VanDerWaalsContact C-N 3.35Å; T246-R248 PolarHBondContact O-N 2.9Å | ||
| 247 | K | 32 | Very low | 50.2 | Low | 197 Ų | 197 | 106.5 Ų | 106.5 | 86% | 0.857 | 63% | 0.634 | S | S | * | * | trans | -49.8 | 108.2 | 165 | -73.9 | -175.3 | 179.6 | 177.5 | 0 | 105.2 | P245 T249 | P245-K247 PolarHBondContact O-N 2.9Å; K247-T249 PolarHBondContact O-N 2.76Å | ||
| 248 | R | 34.5 | Very low | 48 | Very low | 232 Ų | 232 | 109.2 Ų | 109.2 | 88% | 0.875 | 65% | 0.647 | S | S | * | * | trans | -59.1 | 116.8 | 173.5 | -70 | -176.1 | -169.3 | -179.2 | 5.7 | 104.9 | T246 A250 | T246-R248 VanDerWaalsContact C-N 3.35Å; T246-R248 PolarHBondContact O-N 2.9Å; R248-A250 VanDerWaalsContact C-N 3.28Å; R248-A250 PolarHBondContact O-N 3.04Å | ||
| 249 | T | 31.9 | Very low | 45.7 | Very low | 126 Ų | 126 | 112.5 Ų | 112.5 | 77% | 0.773 | 68% | 0.678 | S | S | * | * | trans | -58.2 | 102.5 | 161.4 | 46.5 | 0 | 0 | 0 | 0 | 106 | K247 T251 | K247-T249 PolarHBondContact O-N 2.76Å; T249-T251 VanDerWaalsContact C-N 3.27Å; T249-T251 PolarHBondContact O-N 3.3Å | ||
| 250 | A | 40.1 | Very low | 43.4 | Very low | 98 Ų | 98 | 117.2 Ų | 117.2 | 81% | 0.81 | 70% | 0.699 | S | S | * | * | trans | -69.5 | 88.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | R248 | R248-A250 VanDerWaalsContact C-N 3.28Å; R248-A250 PolarHBondContact O-N 3.04Å | ||
| 251 | T | 41.4 | Very low | 41.4 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 77% | 0.767 | 74% | 0.739 | S | S | * | * | trans | -144 | 82.7 | 163.3 | 35.4 | 0 | 0 | 0 | 0 | 109.1 | T249 | T249-T251 VanDerWaalsContact C-N 3.27Å; T249-T251 PolarHBondContact O-N 3.3Å | ||
| 252 | A | 37.2 | Very low | 39.7 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 164.5 | 121.8 | 132.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 253 | G | 34.7 | Very low | 38.3 | Very low | 80 Ų | 80 | 132.8 Ų | 132.8 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 56.1 | 106 | 140.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 254 | G | 41.2 | Very low | 37.1 | Very low | 85 Ų | 85 | 137.6 Ų | 137.6 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | trans | -63.1 | 146.7 | 174 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 255 | A | 35.4 | Very low | 36.9 | Very low | 97 Ų | 97 | 139.7 Ų | 139.7 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | -164.9 | 109.4 | 138.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 256 | R | 40.1 | Very low | 37 | Very low | 259 Ų | 259 | 137.6 Ų | 137.6 | 98% | 0.977 | 81% | 0.807 | S | S | * | * | trans | 33.7 | 118.3 | 144.9 | -67.3 | 178.5 | 171.1 | 146.2 | -2.3 | 118.7 | ||||
| 257 | G | 34.3 | Very low | 36.9 | Very low | 72 Ų | 72 | 143.2 Ų | 143.2 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | trans | 155.4 | 84.4 | 146.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 258 | I | 41.2 | Very low | 37.4 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | 68 | 103.1 | 150.5 | -47.3 | 175 | 0 | 0 | 0 | 116.9 | ||||
| 259 | A | 32.8 | Very low | 37.4 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | -144.7 | 94.2 | 147.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 260 | L | 35.3 | Very low | 37.8 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 73% | 0.733 | 82% | 0.821 | S | S | * | * | trans | -66.5 | 130.6 | 145.1 | -65.8 | 156.5 | 0 | 0 | 0 | 104.3 | ||||
| 261 | Y | 37.8 | Very low | 37.9 | Very low | 216 Ų | 216 | 139 Ų | 139 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | cis | -140.9 | 153.2 | 49.5 | -71.5 | -99.4 | 0 | 0 | 0 | 110.9 | ||||
| 262 | E | 38.7 | Very low | 38.5 | Very low | 187 Ų | 187 | 134.7 Ų | 134.7 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -54.3 | 127.5 | 179.4 | -71.5 | 153.9 | 141.2 | 0 | 0 | 112.4 | E264 | E262-E264 PolarHBondContact O-N 3.23Š| ||
| 263 | D | 35.9 | Very low | 39.7 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -81.5 | 104.2 | 165.5 | -157.5 | 25.3 | 0 | 0 | 0 | 105.8 | P265 | D263-P265 VanDerWaalsContact O-CD 3.23Å; D263-P265 WeakPolarHBondContact O-CD 3.46Å | ||
| 264 | E | 33.1 | Very low | 41.5 | Very low | 176 Ų | 176 | 136.5 Ų | 136.5 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -66.9 | 110.5 | 170.4 | -82.4 | -89.3 | 113.2 | 0 | 0 | 108.1 | E262 G266 | E262-E264 PolarHBondContact O-N 3.23Å; E264-G266 PolarHBondContact O-N 2.88Å | ||
| 265 | P | 42.5 | Very low | 43.4 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 81% | 0.805 | 74% | 0.739 | S | S | * | * | trans | -86.9 | 97.4 | -175.5 | 33 | -25.3 | 0 | 0 | 0 | 108.2 | D263 | D263-P265 VanDerWaalsContact O-CD 3.23Å; D263-P265 WeakPolarHBondContact O-CD 3.46Å | ||
| 266 | G | 40.3 | Very low | 45.7 | Very low | 65 Ų | 65 | 131 Ų | 131 | 67% | 0.67 | 70% | 0.702 | S | S | * | * | trans | -173.3 | 66.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | E264 | E264-G266 PolarHBondContact O-N 2.88Š| ||
| 267 | K | 34 | Very low | 48 | Very low | 207 Ų | 207 | 120.6 Ų | 120.6 | 90% | 0.9 | 66% | 0.663 | S | S | * | * | trans | -170.7 | 81.7 | 143.1 | -104.4 | 167 | -171.1 | -178.1 | 0 | 110.2 | ||||
| 268 | E | 42.7 | Very low | 50.8 | Low | 208 Ų | 208 | 117.2 Ų | 117.2 | 97% | 0.972 | 63% | 0.628 | S | S | * | * | trans | -62.6 | 127.8 | 152.3 | -74.3 | -173.9 | 143.4 | 0 | 0 | 108.6 | ||||
| 269 | G | 35.6 | Very low | 53.2 | Low | 60 Ų | 60 | 110.1 Ų | 110.1 | 62% | 0.619 | 59% | 0.592 | S | S | * | * | trans | 168.1 | 84 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 270 | T | 40.3 | Very low | 56.3 | Low | 139 Ų | 139 | 105.3 Ų | 105.3 | 85% | 0.853 | 55% | 0.552 | S | S | * | * | trans | 65.6 | 77.5 | 165.5 | 53.7 | 0 | 0 | 0 | 0 | 116.9 | A272 | T270-A272 PolarHBondContact O-N 2.86Š| ||
| 271 | D | 41.1 | Very low | 59.2 | Low | 156 Ų | 156 | 98.7 Ų | 98.7 | 83% | 0.834 | 52% | 0.517 | S | S | * | . | trans | -73.7 | 70.7 | 167.5 | -72 | -34.6 | 0 | 0 | 0 | 111.2 | E273 | D271-E273 VanDerWaalsContact C-N 3.27Å; D271-E273 PolarHBondContact O-N 2.89Å | ||
| 272 | A | 54.1 | Low | 61.9 | Low | 36 Ų | 36 | 88.4 Ų | 88.4 | 30% | 0.298 | 48% | 0.477 | S | S | . | . | trans | -70.7 | 91.9 | 158.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | T270 E274 L410 | T270-A272 PolarHBondContact O-N 2.86Å; A272-E274 PolarHBondContact O-N 2.88Å; A272-E274 VanDerWaalsContact O-N 3.17Å; A272-L410 HydrophobicContact CB-CD1 4.48Å; A272-L410 HydrophobicContact CB-CD2 4.02Å | ||
| 273 | E | 61.7 | Low | 64.6 | Low | 109 Ų | 109 | 81.1 Ų | 81.1 | 51% | 0.509 | 44% | 0.443 | S | S | . | . | trans | -53.8 | 121 | 178.8 | -68.6 | 179.1 | 157 | 0 | 0 | 109.8 | D271 R275 | D271-E273 VanDerWaalsContact C-N 3.27Å; D271-E273 PolarHBondContact O-N 2.89Å; E273-R275 HydrophobicContact CB-CG 4.49Å; E273-R275 PolarHBondContact O-N 2.77Å; E273-R275 IonicContact OE2-CZ 2.6Å; E273-R275 IonicContact OE2-NE 2.87Å; E273-R275 IonicContact OE2-NH2 2.78Å; E273-R275 PolarHBondContact OE2-NH2 2.84Å; E273-R275 VanDerWaalsContact OE2-NH2 3.12Å | ||
| 274 | E | 73.1 | Confident | 67.4 | Low | 108 Ų | 108 | 73.7 Ų | 73.7 | 51% | 0.505 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 114.5 | 171.8 | 169.7 | 169.2 | -173.7 | 0 | 0 | 108.8 | A272 R277 T408 | A272-E274 PolarHBondContact O-N 2.88Å; A272-E274 VanDerWaalsContact O-N 3.17Å; E274-R277 IonicContact OE1-CZ 2.74Å; E274-R277 IonicContact OE1-NE 3.27Å; E274-R277 PolarHBondContact OE1-NE 2.88Å; E274-R277 IonicContact OE1-NH2 2.68Å; E274-T408 HydrophobicContact CB-CG2 4Å; E274-T408 HydrophobicContact CG-CG2 3.54Å |
| 275 | R | 82.2 | Confident | 70.3 | Confident | 63 Ų | 63 | 65.7 Ų | 65.7 | 24% | 0.238 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 26.2 | -176.9 | -68.4 | -172.7 | 174.5 | -165.3 | -0.5 | 113.4 | E273 L301 A302 I375 L409 | E273-R275 HydrophobicContact CB-CG 4.49Å; E273-R275 PolarHBondContact O-N 2.77Å; E273-R275 IonicContact OE2-CZ 2.6Å; E273-R275 IonicContact OE2-NE 2.87Å; E273-R275 IonicContact OE2-NH2 2.78Å; E273-R275 PolarHBondContact OE2-NH2 2.84Å; E273-R275 VanDerWaalsContact OE2-NH2 3.12Å; R275-L301 WeakPolarHBondContact O-CA 3.41Å; R275-A302 HydrophobicContact CB-CB 3.95Å; R275-A302 HydrophobicContact CG-CB 4.11Å; R275-A302 PolarHBondContact O-N 2.75Å; R275-A302 VanDerWaalsContact O-N 3.1Å; R275-I375 HydrophobicContact CB-CG2 4.4Å; R275-I375 WeakPolarHBondContact CB-O 3.49Å; R275-I375 WeakPolarHBondContact CD-O 3.15Å; R275-L409 PolarHBondContact N-O 3.32Å |
| 276 | G | 83.5 | Confident | 72.6 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 116.9 | -174.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | V299 H300 L409 | G276-V299 WeakPolarHBondContact CA-O 3.21Å; G276-H300 WeakPolarHBondContact CA-O 3.38Å; G276-H300 PolarHBondContact N-O 2.81Å; G276-L409 WeakPolarHBondContact O-CB 3.18Å; G276-L409 PolarHBondContact O-N 3.36Å |
| 277 | R | 87.3 | Confident | 75 | Confident | 42 Ų | 42 | 67.2 Ų | 67.2 | 16% | 0.158 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 151.3 | 179.2 | -51.8 | -175.2 | -159.3 | 156.4 | 10.2 | 111 | T115 E274 C298 V299 W406 H407 | T115-R277 PolarHBondContact O-NH1 3.39Å; T115-R277 VanDerWaalsContact O-NH1 3.1Å; T115-R277 PolarHBondContact O-NH2 2.84Å; T115-R277 PolarHBondContact OG1-NH1 2.61Å; E274-R277 IonicContact OE1-CZ 2.74Å; E274-R277 IonicContact OE1-NE 3.27Å; E274-R277 PolarHBondContact OE1-NE 2.88Å; E274-R277 IonicContact OE1-NH2 2.68Å; R277-C298 CarbonylContact O-C 3.33Å; R277-C298 WeakPolarHBondContact O-CA 3.21Å; R277-C298 WeakPolarHBondContact O-CB 3.09Å; R277-V299 HydrophobicContact CB-CG2 3.98Å; R277-V299 PolarHBondContact N-O 2.74Å; R277-V299 PolarHBondContact O-N 3.04Å; R277-W406 HydrophobicContact CB-CE3 3.83Å; R277-W406 HydrophobicContact CB-CZ3 4.24Å; R277-H407 CarbonylContact C-O 3.58Å; R277-H407 VanDerWaalsContact CA-O 3.24Å; R277-H407 WeakPolarHBondContact CA-O 3.31Å |
| 278 | I | 92.9 | Very high | 77.7 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 131.9 | 178.1 | -173.5 | 165.9 | 0 | 0 | 0 | 110.2 | M280 V295 V314 I361 V363 W406 H407 L409 | I278-M280 HydrophobicContact CD1-SD 3.61Å; I278-M280 HydrophobicContact CG1-CG 4.19Å; I278-M280 HydrophobicContact CG1-SD 3.76Å; I278-M280 HydrophobicContact CG2-CG 4.18Å; I278-V295 HydrophobicContact CD1-CG1 4.15Å; I278-V314 HydrophobicContact CD1-CG1 3.9Å; I278-V314 HydrophobicContact CD1-CG2 3.93Å; I278-I361 HydrophobicContact CD1-CG2 3.92Å; I278-V363 HydrophobicContact CD1-CG2 4.14Å; I278-W406 VanDerWaalsContact C-CE3 3.41Å; I278-W406 CarbonylContact O-C 3.52Å; I278-W406 WeakPolarHBondContact O-CA 3.46Å; I278-H407 HydrophobicContact CG2-CB 4.07Å; I278-H407 PolarHBondContact N-O 2.86Å; I278-H407 PolarHBondContact O-N 2.81Å; I278-L409 HydrophobicContact CB-CD2 4.18Å; I278-L409 HydrophobicContact CB-CG 4.46Å; I278-L409 HydrophobicContact CG2-CD2 3.63Å; I278-L409 HydrophobicContact CG2-CG 4.23Å |
| 279 | L | 93.4 | Very high | 80 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 9% | 0.089 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 113.5 | 171.8 | -178.4 | 58.9 | 0 | 0 | 0 | 108.4 | V296 R297 E404 W406 | L279-V296 HydrophobicContact CB-CB 4.18Å; L279-V296 HydrophobicContact CD2-CB 3.99Å; L279-V296 HydrophobicContact CD2-CG1 3.86Å; L279-V296 HydrophobicContact CD2-CG2 4.41Å; L279-V296 HydrophobicContact CG-CB 3.95Å; L279-V296 HydrophobicContact CG-CG1 4.39Å; L279-V296 HydrophobicContact CG-CG2 4.17Å; L279-V296 PolarHBondContact O-N 2.88Å; L279-V296 VanDerWaalsContact O-N 3.09Å; L279-R297 HydrophobicContact CB-CG 4.14Å; L279-R297 HydrophobicContact CD2-CG 4.31Å; L279-R297 PolarHBondContact N-O 3.45Å; L279-E404 HydrophobicContact CD1-CB 4.17Å; L279-W406 HydrophobicContact CB-CD2 3.94Å; L279-W406 HydrophobicContact CB-CE3 3.78Å; L279-W406 HydrophobicContact CB-CH2 3.69Å; L279-W406 HydrophobicContact CB-CZ2 3.83Å; L279-W406 HydrophobicContact CB-CZ3 3.65Å; L279-W406 HydrophobicContact CD1-CD2 4.14Å; L279-W406 HydrophobicContact CD1-CG 4.22Å; L279-W406 HydrophobicContact CD2-CZ2 4.04Å; L279-W406 HydrophobicContact CG-CZ2 4.37Å |
| 280 | M | 96.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 139.1 | -179.9 | -65.7 | -62.6 | -54.1 | 0 | 0 | 109.6 | I278 V293 V295 I361 H391 E404 R405 | I278-M280 HydrophobicContact CD1-SD 3.61Å; I278-M280 HydrophobicContact CG1-CG 4.19Å; I278-M280 HydrophobicContact CG1-SD 3.76Å; I278-M280 HydrophobicContact CG2-CG 4.18Å; M280-V293 HydrophobicContact CE-CG1 3.43Å; M280-V293 VanDerWaalsContact CE-CG1 3.43Å; M280-V295 HydrophobicContact CE-CG2 4.04Å; M280-V295 HydrophobicContact SD-CG2 4.13Å; M280-I361 HydrophobicContact CE-CD1 3.78Å; M280-I361 HydrophobicContact CE-CG1 4.27Å; M280-I361 HydrophobicContact CG-CD1 3.91Å; M280-I361 HydrophobicContact SD-CD1 4Å; M280-I361 HydrophobicContact SD-CG2 4.24Å; M280-H391 PolarHBondContact O-CE1 2.86Å; M280-H391 VanDerWaalsContact O-CE1 3.23Å; M280-E404 CarbonylContact O-C 3.54Å; M280-E404 VanDerWaalsContact O-CA 3.29Å; M280-E404 WeakPolarHBondContact O-CA 3.16Å; M280-R405 PolarHBondContact N-O 2.73Å; M280-R405 PolarHBondContact O-N 2.78Å |
| 281 | S | 96 | Very high | 85.4 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 126.6 | 170.6 | 168.9 | 0 | 0 | 0 | 0 | 109.3 | V293 G294 R402 I403 | S281-V293 CarbonylContact O-C 3.59Å; S281-V293 WeakPolarHBondContact O-CA 3.41Å; S281-G294 PolarHBondContact N-O 3.36Å; S281-G294 PolarHBondContact O-N 3.02Å; S281-R402 VanDerWaalsContact OG-CG 3.26Å; S281-R402 WeakPolarHBondContact OG-CG 3.47Å; S281-R402 PolarHBondContact OG-NH1 3.31Å; S281-I403 CarbonylContact C-O 3.28Å; S281-I403 WeakPolarHBondContact CA-O 3.32Å |
| 282 | L | 95.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 134.9 | 173.5 | -62 | -178.7 | 0 | 0 | 0 | 110.5 | V293 L359 L380 W392 C395 I403 | L282-V293 HydrophobicContact CD2-CB 4.26Å; L282-V293 HydrophobicContact CD2-CG1 3.96Å; L282-V293 HydrophobicContact CD2-CG2 3.86Å; L282-L359 HydrophobicContact CD2-CD2 3.79Å; L282-L380 HydrophobicContact CD1-CD1 3.85Å; L282-W392 HydrophobicContact CD1-CE3 3.97Å; L282-W392 HydrophobicContact CD1-CZ3 4.38Å; L282-C395 HydrophobicContact CB-CB 3.92Å; L282-C395 HydrophobicContact CD1-CB 4.33Å; L282-I403 PolarHBondContact N-O 3.06Å; L282-I403 PolarHBondContact O-N 2.97Å |
| 283 | M | 95.1 | Very high | 89.9 | Confident | 34 Ų | 34 | 43.6 Ų | 43.6 | 17% | 0.167 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 128.6 | 173.9 | -179.3 | -174.4 | 126.3 | 0 | 0 | 109.5 | I292 R402 | M283-I292 HydrophobicContact CB-CB 4.4Å; M283-I292 HydrophobicContact CE-CD1 3.82Å; M283-I292 PolarHBondContact N-O 3.5Å; M283-I292 PolarHBondContact O-N 2.9Å; M283-R402 HydrophobicContact CB-CB 4.48Å |
| 284 | Y | 94.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 115.9 | 167.9 | -173.2 | -102.3 | 0 | 0 | 0 | 110.4 | T286 R290 L291 I349 H351 L354 D400 | Y284-T286 HydrophobicContact CD1-CG2 4.2Å; Y284-T286 HydrophobicContact CE1-CG2 4.21Å; Y284-R290 WeakPolarHBondContact CD2-O 3.35Å; Y284-L291 HydrophobicContact CD2-CB 4.37Å; Y284-I349 HydrophobicContact CE2-CG2 4.42Å; Y284-I349 VanDerWaalsContact CE2-O 3.25Å; Y284-I349 WeakPolarHBondContact CE2-O 3.3Å; Y284-I349 PolarHBondContact OH-O 3.42Å; Y284-H351 HydrophobicContact CD1-CB 4.32Å; Y284-H351 AromaticContact CD1-CD2 3.65Å; Y284-H351 HydrophobicContact CE1-CB 3.55Å; Y284-H351 AromaticContact CE1-CD2 3.8Å; Y284-H351 PolarHBondContact OH-N 2.94Å; Y284-L354 HydrophobicContact CD2-CD1 3.32Å; Y284-L354 HydrophobicContact CD2-CG 4.42Å; Y284-L354 HydrophobicContact CE2-CD1 3.67Å; Y284-L354 HydrophobicContact CE2-CG 4.47Å; Y284-L354 HydrophobicContact CG-CD1 3.83Å; Y284-D400 WeakPolarHBondContact O-CA 3.33Å; Y284-D400 PolarHBondContact O-N 3.34Å |
| 285 | S | 93.8 | Very high | 92.7 | Very high | 7 Ų | 7 | 33.4 Ų | 33.4 | 5% | 0.049 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 116.7 | 175.1 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | L288 N289 R290 D400 | S285-L288 PolarHBondContact OG-N 2.98Å; S285-N289 WeakPolarHBondContact O-CA 3.29Å; S285-N289 PolarHBondContact O-N 2.9Å; S285-R290 PolarHBondContact N-O 3.25Å; S285-R290 PolarHBondContact O-N 3.38Å; S285-D400 VanDerWaalsContact CA-OD1 3.28Å; S285-D400 WeakPolarHBondContact CA-OD1 3.42Å |
| 286 | T | 91 | Very high | 93.2 | Very high | 52 Ų | 52 | 31.5 Ų | 31.5 | 32% | 0.319 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -33.3 | 175.8 | 59.4 | 0 | 0 | 0 | 0 | 111.8 | Y284 L288 N289 K399 D400 | Y284-T286 HydrophobicContact CD1-CG2 4.2Å; Y284-T286 HydrophobicContact CE1-CG2 4.21Å; T286-L288 VanDerWaalsContact C-N 3.34Å; T286-L288 PolarHBondContact O-N 2.94Å; T286-N289 PolarHBondContact O-N 3.42Å; T286-K399 HydrophobicContact CG2-CB 3.75Å; T286-K399 HydrophobicContact CG2-CD 3.75Å; T286-K399 HydrophobicContact CG2-CG 4.03Å; T286-D400 WeakPolarHBondContact CB-OD2 3.45Å; T286-D400 VanDerWaalsContact CG2-OD2 3.24Å; T286-D400 WeakPolarHBondContact CG2-OD2 3.46Å; T286-D400 PolarHBondContact N-OD1 3.44Å; T286-D400 VanDerWaalsContact OG1-CG 3.31Å; T286-D400 PolarHBondContact OG1-OD1 2.98Å; T286-D400 PolarHBondContact OG1-OD2 2.86Å |
| 287 | Q | 91.2 | Very high | 93.4 | Very high | 170 Ų | 170 | 35.7 Ų | 35.7 | 79% | 0.794 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -41.4 | 177.5 | -61.9 | -177.5 | 21.5 | 0 | 0 | 111.6 | ||
| 288 | L | 90 | Very high | 93.5 | Very high | 102 Ų | 102 | 33.7 Ų | 33.7 | 53% | 0.534 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -8.9 | -177.9 | -59.4 | 177.9 | 0 | 0 | 0 | 113.5 | S285 T286 R290 | S285-L288 PolarHBondContact OG-N 2.98Å; T286-L288 VanDerWaalsContact C-N 3.34Å; T286-L288 PolarHBondContact O-N 2.94Å; L288-R290 VanDerWaalsContact C-N 3.26Å; L288-R290 HydrophobicContact CB-CB 4.24Å; L288-R290 HydrophobicContact CB-CG 4.35Å; L288-R290 WeakPolarHBondContact O-CG 3.46Å; L288-R290 PolarHBondContact O-N 2.7Å |
| 289 | N | 91.8 | Very high | 92.7 | Very high | 94 Ų | 94 | 34.4 Ų | 34.4 | 50% | 0.503 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 45.8 | -170.6 | -68.8 | -63.5 | 0 | 0 | 0 | 112.6 | S285 T286 I349 | S285-N289 WeakPolarHBondContact O-CA 3.29Å; S285-N289 PolarHBondContact O-N 2.9Å; T286-N289 PolarHBondContact O-N 3.42Å; N289-I349 CarbonylContact C-O 3.39Å; N289-I349 PolarHBondContact O-N 3.15Å |
| 290 | R | 93.8 | Very high | 91.7 | Very high | 91 Ų | 91 | 36.4 Ų | 36.4 | 34% | 0.343 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 142.7 | -174 | -75.3 | 168.8 | -173.1 | -161.5 | -15 | 111.7 | Y284 S285 L288 F347 D348 | Y284-R290 WeakPolarHBondContact CD2-O 3.35Å; S285-R290 PolarHBondContact N-O 3.25Å; S285-R290 PolarHBondContact O-N 3.38Å; L288-R290 VanDerWaalsContact C-N 3.26Å; L288-R290 HydrophobicContact CB-CB 4.24Å; L288-R290 HydrophobicContact CB-CG 4.35Å; L288-R290 WeakPolarHBondContact O-CG 3.46Å; L288-R290 PolarHBondContact O-N 2.7Å; R290-F347 CarbonylContact C-O 3.44Å; R290-F347 VanDerWaalsContact CA-O 3.24Å; R290-F347 WeakPolarHBondContact CA-O 3.22Å; R290-D348 WeakPolarHBondContact CD-OD1 3.4Å; R290-D348 VanDerWaalsContact CG-OD1 3.32Å; R290-D348 WeakPolarHBondContact CG-OD1 3.08Å; R290-D348 IonicContact CZ-OD1 3.6Å; R290-D348 IonicContact NE-OD1 3.12Å; R290-D348 PolarHBondContact NE-OD1 2.78Å; R290-D348 IonicContact NH2-OD1 3.84Å; R290-D348 PolarHBondContact NH2-OD1 2.85Å; R290-D348 IonicContact NH2-OD2 2.68Å |
| 291 | L | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 121.1 | 164.7 | 178 | 69.6 | 0 | 0 | 0 | 108.9 | Y284 V293 L318 S346 F347 I349 L354 W392 | Y284-L291 HydrophobicContact CD2-CB 4.37Å; L291-V293 HydrophobicContact CD2-CG2 3.84Å; L291-V293 HydrophobicContact CG-CG2 3.87Å; L291-L318 HydrophobicContact CD2-CD1 4.41Å; L291-S346 CarbonylContact O-C 3.55Å; L291-S346 WeakPolarHBondContact O-CA 3.28Å; L291-F347 HydrophobicContact CB-CB 4.43Å; L291-F347 PolarHBondContact N-O 3.17Å; L291-F347 PolarHBondContact O-N 3.37Å; L291-I349 HydrophobicContact CB-CG2 3.83Å; L291-L354 HydrophobicContact CB-CD2 4.23Å; L291-L354 HydrophobicContact CD1-CD2 4.25Å; L291-L354 HydrophobicContact CD2-CD2 3.88Å; L291-L354 HydrophobicContact CG-CD2 4.34Å; L291-W392 HydrophobicContact CD2-CH2 3.95Å; L291-W392 HydrophobicContact CD2-CZ3 4.21Å |
| 292 | I | 94.9 | Very high | 89.7 | Confident | 23 Ų | 23 | 37.8 Ų | 37.8 | 12% | 0.118 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 120.9 | 173.8 | -53.5 | 179.4 | 0 | 0 | 0 | 107.9 | M283 E344 F345 | M283-I292 HydrophobicContact CB-CB 4.4Å; M283-I292 HydrophobicContact CE-CD1 3.82Å; M283-I292 PolarHBondContact N-O 3.5Å; M283-I292 PolarHBondContact O-N 2.9Å; I292-E344 HydrophobicContact CG2-CB 4.27Å; I292-F345 CarbonylContact C-O 3.53Å; I292-F345 WeakPolarHBondContact CA-O 3.46Å |
| 293 | V | 96.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 109.8 | 179.5 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | M280 S281 L282 L291 I316 E344 F345 F347 L359 | M280-V293 HydrophobicContact CE-CG1 3.43Å; M280-V293 VanDerWaalsContact CE-CG1 3.43Å; S281-V293 CarbonylContact O-C 3.59Å; S281-V293 WeakPolarHBondContact O-CA 3.41Å; L282-V293 HydrophobicContact CD2-CB 4.26Å; L282-V293 HydrophobicContact CD2-CG1 3.96Å; L282-V293 HydrophobicContact CD2-CG2 3.86Å; L291-V293 HydrophobicContact CD2-CG2 3.84Å; L291-V293 HydrophobicContact CG-CG2 3.87Å; V293-I316 HydrophobicContact CG1-CD1 3.94Å; V293-I316 HydrophobicContact CG1-CG2 4.37Å; V293-E344 WeakPolarHBondContact O-CA 3.31Å; V293-F345 PolarHBondContact N-O 2.84Å; V293-F345 PolarHBondContact O-N 2.85Å; V293-F347 HydrophobicContact CB-CE2 4.24Å; V293-F347 HydrophobicContact CG2-CD2 3.92Å; V293-F347 HydrophobicContact CG2-CE2 3.81Å; V293-L359 HydrophobicContact CG1-CD2 3.85Å; V293-L359 HydrophobicContact CG2-CD1 4.19Å; V293-L359 HydrophobicContact CG2-CD2 4.01Å |
| 294 | G | 96.1 | Very high | 88.1 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 129.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S281 E343 | S281-G294 PolarHBondContact N-O 3.36Å; S281-G294 PolarHBondContact O-N 3.02Å; G294-E343 CarbonylContact C-O 3.49Å; G294-E343 WeakPolarHBondContact CA-O 3.42Å |
| 295 | V | 96.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 104.4 | 164 | -178.6 | 0 | 0 | 0 | 0 | 107 | I278 M280 V314 I316 T330 F341 N342 E343 F345 | I278-V295 HydrophobicContact CD1-CG1 4.15Å; M280-V295 HydrophobicContact CE-CG2 4.04Å; M280-V295 HydrophobicContact SD-CG2 4.13Å; V295-V314 HydrophobicContact CG1-CB 4.23Å; V295-V314 HydrophobicContact CG1-CG1 4.48Å; V295-V314 HydrophobicContact CG1-CG2 3.87Å; V295-V314 HydrophobicContact CG2-CG1 4.27Å; V295-I316 HydrophobicContact CG2-CD1 3.36Å; V295-I316 HydrophobicContact CG2-CG1 4.19Å; V295-T330 HydrophobicContact CB-CG2 4.05Å; V295-T330 HydrophobicContact CG1-CG2 4.11Å; V295-T330 HydrophobicContact CG2-CG2 4.09Å; V295-F341 HydrophobicContact CB-CB 4.42Å; V295-F341 HydrophobicContact CG1-CB 3.99Å; V295-F341 HydrophobicContact CG1-CD2 3.62Å; V295-F341 HydrophobicContact CG1-CE2 4.37Å; V295-F341 HydrophobicContact CG1-CG 3.99Å; V295-F341 WeakPolarHBondContact O-CB 2.99Å; V295-N342 WeakPolarHBondContact O-CA 3.42Å; V295-N342 PolarHBondContact O-N 3.19Å; V295-E343 PolarHBondContact N-O 3.16Å; V295-E343 PolarHBondContact O-N 3.27Å; V295-F345 HydrophobicContact CG2-CD2 4.44Å; V295-F345 HydrophobicContact CG2-CE2 4.08Å |
| 296 | V | 92.3 | Very high | 85.2 | Confident | 23 Ų | 23 | 47.7 Ų | 47.7 | 14% | 0.139 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -67.3 | -174.9 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | L279 F341 N342 | L279-V296 HydrophobicContact CB-CB 4.18Å; L279-V296 HydrophobicContact CD2-CB 3.99Å; L279-V296 HydrophobicContact CD2-CG1 3.86Å; L279-V296 HydrophobicContact CD2-CG2 4.41Å; L279-V296 HydrophobicContact CG-CB 3.95Å; L279-V296 HydrophobicContact CG-CG1 4.39Å; L279-V296 HydrophobicContact CG-CG2 4.17Å; L279-V296 PolarHBondContact O-N 2.88Å; L279-V296 VanDerWaalsContact O-N 3.09Å; V296-F341 PolarHBondContact O-N 3.12Å; V296-N342 PolarHBondContact O-N 3.11Å; V296-N342 PolarHBondContact O-OD1 3.15Å |
| 297 | R | 88.3 | Confident | 83.7 | Confident | 90 Ų | 90 | 48.4 Ų | 48.4 | 34% | 0.34 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 160 | -178 | 61.9 | -175.8 | -179.2 | 115.5 | -8.4 | 112.1 | L279 P339 E340 W406 | L279-R297 HydrophobicContact CB-CG 4.14Å; L279-R297 HydrophobicContact CD2-CG 4.31Å; L279-R297 PolarHBondContact N-O 3.45Å; R297-P339 CarbonylContact C-O 3.55Å; R297-P339 WeakPolarHBondContact CA-O 3.49Å; R297-P339 WeakPolarHBondContact CB-O 3.07Å; R297-E340 HydrophobicContact CB-CB 4.47Å; R297-E340 HydrophobicContact CB-CG 4.02Å; R297-W406 HydrophobicContact CG-CH2 3.89Å |
| 298 | C | 88.2 | Confident | 82.4 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 157.6 | 165.3 | -55.8 | 0 | 0 | 0 | 0 | 110.6 | R277 L301 N338 P339 | R277-C298 CarbonylContact O-C 3.33Å; R277-C298 WeakPolarHBondContact O-CA 3.21Å; R277-C298 WeakPolarHBondContact O-CB 3.09Å; C298-L301 HydrophobicContact CB-CD1 3.81Å; C298-L301 HydrophobicContact CB-CD2 3.7Å; C298-L301 HydrophobicContact CB-CG 3.75Å; C298-N338 CarbonylContact O-C 3.51Å; C298-N338 VanDerWaalsContact O-CA 3.23Å; C298-N338 WeakPolarHBondContact O-CA 3.15Å; C298-P339 HydrophobicContact CB-CG 3.75Å; C298-P339 PolarHBondContact N-O 3.1Å |
| 299 | V | 76 | Confident | 81.5 | Confident | 15 Ų | 15 | 40.3 Ų | 40.3 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 148.9 | 171.8 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | G276 R277 L301 N338 W406 | G276-V299 WeakPolarHBondContact CA-O 3.21Å; R277-V299 HydrophobicContact CB-CG2 3.98Å; R277-V299 PolarHBondContact N-O 2.74Å; R277-V299 PolarHBondContact O-N 3.04Å; V299-L301 PolarHBondContact O-N 3.41Å; V299-N338 VanDerWaalsContact CA-OD1 3.27Å; V299-N338 WeakPolarHBondContact CA-OD1 3.38Å; V299-W406 HydrophobicContact CB-CH2 4.36Å; V299-W406 HydrophobicContact CB-CZ3 4.42Å; V299-W406 HydrophobicContact CG1-CH2 3.7Å; V299-W406 HydrophobicContact CG1-CZ3 4.21Å; V299-W406 HydrophobicContact CG2-CE3 4.3Å; V299-W406 HydrophobicContact CG2-CH2 3.8Å; V299-W406 HydrophobicContact CG2-CZ3 3.58Å |
| 300 | H | 72.3 | Confident | 80.9 | Confident | 58 Ų | 58 | 35.8 Ų | 35.8 | 27% | 0.269 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 55.2 | 36.6 | 175.4 | -52.5 | 167.6 | 0 | 0 | 0 | 113.4 | C239 G276 L337 N338 | C239-H300 WeakPolarHBondContact CB-NE2 3.34Å; G276-H300 WeakPolarHBondContact CA-O 3.38Å; G276-H300 PolarHBondContact N-O 2.81Å; H300-L337 PolarHBondContact N-O 2.77Å; H300-N338 PolarHBondContact N-OD1 3.04Å |
| 301 | L | 78.2 | Confident | 80.5 | Confident | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | trans | -59.6 | 144.2 | 174.6 | -65.1 | -176.2 | 0 | 0 | 0 | 110.2 | R275 C298 V299 A303 P312 L337 P339 V363 I375 L409 | R275-L301 WeakPolarHBondContact O-CA 3.41Å; C298-L301 HydrophobicContact CB-CD1 3.81Å; C298-L301 HydrophobicContact CB-CD2 3.7Å; C298-L301 HydrophobicContact CB-CG 3.75Å; V299-L301 PolarHBondContact O-N 3.41Å; L301-A303 PolarHBondContact O-N 2.79Å; L301-P312 HydrophobicContact CD1-CB 3.45Å; L301-P312 VanDerWaalsContact CD1-CB 3.45Å; L301-P312 HydrophobicContact CD1-CG 3.81Å; L301-L337 HydrophobicContact CB-CB 4.38Å; L301-L337 HydrophobicContact CB-CD2 4.37Å; L301-L337 PolarHBondContact N-O 3.29Å; L301-L337 WeakPolarHBondContact O-CD2 2.83Å; L301-P339 HydrophobicContact CD1-CG 3.77Å; L301-V363 HydrophobicContact CD1-CG1 3.99Å; L301-V363 HydrophobicContact CD2-CG1 4.15Å; L301-I375 HydrophobicContact CB-CG2 4.29Å; L301-I375 HydrophobicContact CD1-CD1 4.43Å; L301-I375 HydrophobicContact CD2-CG2 4.19Å; L301-L409 HydrophobicContact CD2-CD1 3.36Å | ||
| 302 | A | 72.9 | Confident | 80.4 | Confident | 25 Ų | 25 | 32.4 Ų | 32.4 | 21% | 0.207 | 20% | 0.196 | C | C | . | . | trans | -67.3 | 133.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.2 | R275 M304 S310 I375 | R275-A302 HydrophobicContact CB-CB 3.95Å; R275-A302 HydrophobicContact CG-CB 4.11Å; R275-A302 PolarHBondContact O-N 2.75Å; R275-A302 VanDerWaalsContact O-N 3.1Å; A302-M304 HydrophobicContact CB-CE 3.36Å; A302-M304 PolarHBondContact O-N 2.93Å; A302-S310 PolarHBondContact O-OG 2.91Å; A302-I375 HydrophobicContact CB-CG2 4.33Å | ||
| 303 | A | 77.1 | Confident | 80.4 | Confident | 45 Ų | 45 | 31.9 Ų | 31.9 | 37% | 0.372 | 19% | 0.192 | S | C | . | . | trans | -75.5 | 114.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L301 S310 L337 | L301-A303 PolarHBondContact O-N 2.79Å; A303-S310 WeakPolarHBondContact CA-OG 3.39Å; A303-L337 HydrophobicContact CB-CD1 4.22Å; A303-L337 HydrophobicContact CB-CD2 4.05Å | ||
| 304 | M | 80.8 | Confident | 80.4 | Confident | 54 Ų | 54 | 31.9 Ų | 31.9 | 27% | 0.266 | 19% | 0.192 | S | C | . | . | trans | -95.2 | -27.1 | 177.7 | -49.3 | -73.8 | 94.9 | 0 | 0 | 111.7 | A302 Y309 S310 D365 D373 I375 | A302-M304 HydrophobicContact CB-CE 3.36Å; A302-M304 PolarHBondContact O-N 2.93Å; M304-Y309 PolarHBondContact N-O 2.9Å; M304-S310 PolarHBondContact N-OG 2.78Å; M304-D365 HydrophobicContact CB-CB 4.09Å; M304-D365 WeakPolarHBondContact CB-OD2 3.43Å; M304-D365 HydrophobicContact CG-CB 4.06Å; M304-D373 HydrophobicContact CB-CB 3.93Å; M304-D373 HydrophobicContact CG-CB 3.98Å; M304-I375 HydrophobicContact CG-CG1 3.8Å | ||
| 305 | D | 69 | Low | 80.3 | Confident | 32 Ų | 32 | 35.1 Ų | 35.1 | 17% | 0.171 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -73.9 | 147.6 | 176.5 | -76.4 | -40.1 | 0 | 0 | 0 | 113.7 | N307 G308 Y309 | D305-N307 HydrophobicContact CB-CB 4.37Å; D305-N307 VanDerWaalsContact CB-CG 3.4Å; D305-N307 VanDerWaalsContact CB-ND2 3.31Å; D305-N307 WeakPolarHBondContact CB-ND2 3.18Å; D305-N307 WeakPolarHBondContact CB-OD1 3.32Å; D305-N307 PolarHBondContact O-N 2.9Å; D305-N307 PolarHBondContact OD2-ND2 2.9Å; D305-G308 PolarHBondContact O-N 2.88Å; D305-Y309 VanDerWaalsContact CB-O 3.28Å; D305-Y309 WeakPolarHBondContact CB-O 3.45Å; D305-Y309 PolarHBondContact N-O 2.9Å; D305-Y309 VanDerWaalsContact N-O 3.12Å |
| 306 | A | 57.5 | Low | 80.2 | Confident | 119 Ų | 119 | 35.1 Ų | 35.1 | 98% | 0.983 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -14.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114 | G308 | A306-G308 PolarHBondContact O-N 3.47Š|
| 307 | N | 60.6 | Low | 80.2 | Confident | 67 Ų | 67 | 35 Ų | 35 | 36% | 0.358 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -8 | 176.1 | 69.9 | 41.2 | 0 | 0 | 0 | 113 | K227 D305 Y309 | K227-N307 PolarHBondContact NZ-O 3.25Å; D305-N307 HydrophobicContact CB-CB 4.37Å; D305-N307 VanDerWaalsContact CB-CG 3.4Å; D305-N307 VanDerWaalsContact CB-ND2 3.31Å; D305-N307 WeakPolarHBondContact CB-ND2 3.18Å; D305-N307 WeakPolarHBondContact CB-OD1 3.32Å; D305-N307 PolarHBondContact O-N 2.9Å; D305-N307 PolarHBondContact OD2-ND2 2.9Å; N307-Y309 WeakPolarHBondContact OD1-CA 3.1Å; N307-Y309 VanDerWaalsContact OD1-CB 3.27Å; N307-Y309 WeakPolarHBondContact OD1-CB 3.26Å; N307-Y309 PolarHBondContact OD1-N 3.12Å |
| 308 | G | 62.7 | Low | 80.3 | Confident | 37 Ų | 37 | 30.7 Ų | 30.7 | 38% | 0.381 | 19% | 0.189 | S | C | . | . | S | Bend | trans | 77.9 | 24.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D305 A306 | D305-G308 PolarHBondContact O-N 2.88Å; A306-G308 PolarHBondContact O-N 3.47Å |
| 309 | Y | 72.1 | Confident | 80.3 | Confident | 65 Ų | 65 | 33.5 Ų | 33.5 | 26% | 0.255 | 20% | 0.202 | S | C | . | . | trans | -133.4 | -172.1 | 172.2 | -62.6 | -78.9 | 0 | 0 | 0 | 109 | K227 M304 D305 N307 R335 L337 | K227-Y309 HydrophobicContact CD-CE2 4.29Å; M304-Y309 PolarHBondContact N-O 2.9Å; D305-Y309 VanDerWaalsContact CB-O 3.28Å; D305-Y309 WeakPolarHBondContact CB-O 3.45Å; D305-Y309 PolarHBondContact N-O 2.9Å; D305-Y309 VanDerWaalsContact N-O 3.12Å; N307-Y309 WeakPolarHBondContact OD1-CA 3.1Å; N307-Y309 VanDerWaalsContact OD1-CB 3.27Å; N307-Y309 WeakPolarHBondContact OD1-CB 3.26Å; N307-Y309 PolarHBondContact OD1-N 3.12Å; Y309-R335 HydrophobicContact CD2-CG 3.58Å; Y309-R335 HydrophobicContact CE2-CG 4.2Å; Y309-R335 HydrophobicContact CG-CG 3.77Å; Y309-L337 HydrophobicContact CD1-CG 4.28Å | ||
| 310 | S | 78.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -137.5 | 162.3 | 167.7 | -50.8 | 0 | 0 | 0 | 0 | 108.4 | A302 A303 M304 P312 R335 T336 D365 | A302-S310 PolarHBondContact O-OG 2.91Å; A303-S310 WeakPolarHBondContact CA-OG 3.39Å; M304-S310 PolarHBondContact N-OG 2.78Å; S310-P312 WeakPolarHBondContact O-CD 3.26Å; S310-R335 CarbonylContact O-C 3.4Å; S310-R335 VanDerWaalsContact O-CA 3.3Å; S310-R335 WeakPolarHBondContact O-CA 3.45Å; S310-R335 PolarHBondContact O-N 2.97Å; S310-R335 VanDerWaalsContact O-N 3.13Å; S310-T336 PolarHBondContact O-N 2.8Å; S310-T336 VanDerWaalsContact O-O 3.14Å; S310-D365 VanDerWaalsContact CA-OD2 3.26Å; S310-D365 WeakPolarHBondContact CA-OD2 3.34Å; S310-D365 WeakPolarHBondContact CB-OD2 3.23Å; S310-D365 PolarHBondContact OG-OD2 3.35Å | ||
| 311 | D | 85.4 | Confident | 80.5 | Confident | 20 Ų | 20 | 38.7 Ų | 38.7 | 11% | 0.107 | 24% | 0.235 | C | C | . | . | trans | -102 | 66.8 | 166.4 | -71.8 | -13.1 | 0 | 0 | 0 | 110.1 | I332 K333 K334 R335 D365 Y366 | D311-I332 HydrophobicContact CB-CG2 4.04Å; D311-K333 CarbonylContact C-O 3.58Å; D311-K333 VanDerWaalsContact CA-O 3.28Å; D311-K333 WeakPolarHBondContact CA-O 3.41Å; D311-K334 WeakPolarHBondContact OD1-CA 3.45Å; D311-K334 WeakPolarHBondContact OD1-CB 3.41Å; D311-R335 PolarHBondContact OD1-N 3.25Å; D311-D365 WeakPolarHBondContact CA-OD1 3.08Å; D311-D365 WeakPolarHBondContact CB-OD1 3.35Å; D311-D365 PolarHBondContact N-OD1 3.18Å; D311-Y366 PolarHBondContact O-N 3.16Å; D311-Y366 VanDerWaalsContact O-N 3.09Å | ||
| 312 | P | 91.5 | Very high | 80.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 142.2 | -168.3 | 27.4 | -39.7 | 0 | 0 | 0 | 114.7 | L301 S310 K333 T336 P339 F341 V363 W364 I375 | L301-P312 HydrophobicContact CD1-CB 3.45Å; L301-P312 VanDerWaalsContact CD1-CB 3.45Å; L301-P312 HydrophobicContact CD1-CG 3.81Å; S310-P312 WeakPolarHBondContact O-CD 3.26Å; P312-K333 WeakPolarHBondContact CD-O 3.34Å; P312-K333 HydrophobicContact CG-CB 4.49Å; P312-K333 PolarHBondContact O-N 3.22Å; P312-T336 VanDerWaalsContact CD-O 3.23Å; P312-T336 WeakPolarHBondContact CD-O 3.38Å; P312-T336 HydrophobicContact CG-CG2 4.01Å; P312-T336 WeakPolarHBondContact CG-O 3.47Å; P312-P339 HydrophobicContact CB-CG 4.03Å; P312-P339 HydrophobicContact CG-CB 3.72Å; P312-P339 HydrophobicContact CG-CG 3.48Å; P312-P339 VanDerWaalsContact CG-CG 3.48Å; P312-F341 HydrophobicContact CB-CZ 4.4Å; P312-V363 HydrophobicContact CB-CG1 4.3Å; P312-W364 CarbonylContact C-O 3.55Å; P312-W364 VanDerWaalsContact CA-O 3.25Å; P312-W364 WeakPolarHBondContact CA-O 3.25Å; P312-I375 HydrophobicContact CB-CD1 4.3Å |
| 313 | Y | 95.6 | Very high | 80 | Confident | 11 Ų | 11 | 42.7 Ų | 42.7 | 4% | 0.043 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 152 | 162.8 | 72.4 | -77.5 | 0 | 0 | 0 | 110.8 | K315 I332 W364 N372 | Y313-K315 HydrophobicContact CD2-CG 4.21Å; Y313-K315 HydrophobicContact CE2-CD 4.14Å; Y313-K315 HydrophobicContact CE2-CG 3.71Å; Y313-K315 WeakPolarHBondContact OH-CE 3.33Å; Y313-K315 PolarHBondContact OH-NZ 3.04Å; Y313-I332 HydrophobicContact CD1-CG1 4.13Å; Y313-I332 HydrophobicContact CG-CG1 4.06Å; Y313-W364 HydrophobicContact CD1-CB 3.84Å; Y313-W364 WeakPolarHBondContact CD1-O 3.34Å; Y313-W364 HydrophobicContact CE1-CB 3.21Å; Y313-W364 HydrophobicContact CE1-CG 4.2Å; Y313-W364 HydrophobicContact CE2-CB 4.06Å; Y313-W364 HydrophobicContact CE2-CG 4.33Å; Y313-W364 HydrophobicContact CG-CB 4.46Å; Y313-W364 AromaticContact CZ-CG 3.8Å; Y313-W364 PolarHBondContact N-O 2.78Å; Y313-W364 PolarHBondContact O-N 2.86Å; Y313-W364 WeakPolarHBondContact OH-CB 3.45Å; Y313-N372 HydrophobicContact CE1-CB 4.42Å; Y313-N372 PolarHBondContact OH-ND2 2.9Å |
| 314 | V | 96.1 | Very high | 79.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 131.4 | -177.1 | -172.8 | 0 | 0 | 0 | 0 | 109.5 | I278 V295 I316 K329 T330 F341 I361 S362 V363 | I278-V314 HydrophobicContact CD1-CG1 3.9Å; I278-V314 HydrophobicContact CD1-CG2 3.93Å; V295-V314 HydrophobicContact CG1-CB 4.23Å; V295-V314 HydrophobicContact CG1-CG1 4.48Å; V295-V314 HydrophobicContact CG1-CG2 3.87Å; V295-V314 HydrophobicContact CG2-CG1 4.27Å; V314-I316 HydrophobicContact CG1-CG1 4.24Å; V314-K329 CarbonylContact O-C 3.48Å; V314-K329 WeakPolarHBondContact O-CA 3.36Å; V314-T330 HydrophobicContact CB-CG2 3.89Å; V314-T330 HydrophobicContact CG2-CG2 4.46Å; V314-T330 PolarHBondContact N-OG1 2.95Å; V314-T330 PolarHBondContact O-N 2.75Å; V314-F341 HydrophobicContact CG2-CD2 4.24Å; V314-F341 HydrophobicContact CG2-CE2 3.67Å; V314-F341 HydrophobicContact CG2-CZ 3.88Å; V314-I361 HydrophobicContact CG1-CG2 3.83Å; V314-S362 CarbonylContact C-O 3.57Å; V314-S362 WeakPolarHBondContact CA-O 3.21Å; V314-V363 HydrophobicContact CG1-CG2 4.49Å; V314-V363 HydrophobicContact CG2-CG1 4.46Å; V314-V363 HydrophobicContact CG2-CG2 4.1Å |
| 315 | K | 94.6 | Very high | 79.1 | Confident | 71 Ų | 71 | 55.9 Ų | 55.9 | 31% | 0.309 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 133 | 167.3 | -58.8 | 179.9 | -168.7 | 162.7 | 0 | 109.2 | Y313 C328 K329 S362 | Y313-K315 HydrophobicContact CD2-CG 4.21Å; Y313-K315 HydrophobicContact CE2-CD 4.14Å; Y313-K315 HydrophobicContact CE2-CG 3.71Å; Y313-K315 WeakPolarHBondContact OH-CE 3.33Å; Y313-K315 PolarHBondContact OH-NZ 3.04Å; K315-C328 CarbonylContact C-O 3.53Å; K315-C328 WeakPolarHBondContact CA-O 3.44Å; K315-K329 HydrophobicContact CG-CB 4.36Å; K315-S362 PolarHBondContact N-O 3.46Å; K315-S362 PolarHBondContact O-N 2.91Å; K315-S362 PolarHBondContact O-OG 2.77Å |
| 316 | I | 94.4 | Very high | 79.6 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 130.4 | 178.6 | -53.5 | 173.9 | 0 | 0 | 0 | 108 | V293 V295 V314 K327 C328 F345 F347 L359 D360 | V293-I316 HydrophobicContact CG1-CD1 3.94Å; V293-I316 HydrophobicContact CG1-CG2 4.37Å; V295-I316 HydrophobicContact CG2-CD1 3.36Å; V295-I316 HydrophobicContact CG2-CG1 4.19Å; V314-I316 HydrophobicContact CG1-CG1 4.24Å; I316-K327 CarbonylContact O-C 3.58Å; I316-K327 WeakPolarHBondContact O-CA 3.48Å; I316-C328 PolarHBondContact N-O 3.5Å; I316-C328 PolarHBondContact O-N 3.1Å; I316-F345 HydrophobicContact CD1-CD2 3.34Å; I316-F345 HydrophobicContact CD1-CE2 3.69Å; I316-F345 HydrophobicContact CD1-CG 4.23Å; I316-F347 HydrophobicContact CG2-CE2 4.18Å; I316-F347 HydrophobicContact CG2-CZ 4.03Å; I316-L359 HydrophobicContact CG2-CD1 3.38Å; I316-L359 HydrophobicContact CG2-CG 4.11Å; I316-D360 CarbonylContact C-O 3.53Å; I316-D360 WeakPolarHBondContact CA-O 3.35Å |
| 317 | C | 92.1 | Very high | 81.1 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 124.2 | 179.6 | -173.6 | 0 | 0 | 0 | 0 | 110.4 | G326 K327 D360 | C317-G326 CarbonylContact C-O 3.55Å; C317-G326 VanDerWaalsContact CA-O 3.3Å; C317-G326 WeakPolarHBondContact CA-O 3.39Å; C317-K327 HydrophobicContact CB-CG 4.31Å; C317-D360 HydrophobicContact CB-CB 4.18Å; C317-D360 PolarHBondContact N-O 2.85Å; C317-D360 PolarHBondContact O-N 3.28Å |
| 318 | L | 91.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 112.1 | 173.6 | -166.9 | 68 | 0 | 0 | 0 | 110 | L291 G326 F347 I349 K357 L359 W392 | L291-L318 HydrophobicContact CD2-CD1 4.41Å; L318-G326 PolarHBondContact N-O 2.85Å; L318-F347 HydrophobicContact CB-CD1 4.3Å; L318-F347 HydrophobicContact CB-CE1 4.36Å; L318-F347 HydrophobicContact CD2-CB 3.99Å; L318-F347 HydrophobicContact CD2-CD1 4.38Å; L318-F347 HydrophobicContact CD2-CG 4.11Å; L318-I349 HydrophobicContact CD2-CD1 4.24Å; L318-K357 HydrophobicContact CD1-CB 3.87Å; L318-K357 HydrophobicContact CD1-CG 4.4Å; L318-K357 HydrophobicContact CD2-CG 4.33Å; L318-K357 HydrophobicContact CG-CB 4.22Å; L318-K357 HydrophobicContact CG-CG 4.26Å; L318-L359 HydrophobicContact CD1-CB 4.33Å; L318-L359 HydrophobicContact CD1-CD1 4.05Å; L318-W392 HydrophobicContact CD1-CH2 4.22Å |
| 319 | K | 88.1 | Confident | 84.1 | Confident | 61 Ų | 61 | 58.7 Ų | 58.7 | 27% | 0.265 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 151.8 | 179.8 | -67.9 | 177.6 | 173.8 | 172 | 0 | 111.1 | K357 T358 D360 H414 | K319-K357 CarbonylContact O-C 3.58Å; K319-K357 VanDerWaalsContact O-CA 3.22Å; K319-K357 WeakPolarHBondContact O-CA 3.23Å; K319-K357 WeakPolarHBondContact O-CD 3.49Å; K319-T358 PolarHBondContact N-O 3.41Å; K319-T358 PolarHBondContact O-N 3.28Å; K319-D360 HydrophobicContact CD-CB 4.47Å; K319-D360 WeakPolarHBondContact CE-OD2 3.01Å; K319-D360 IonicContact NZ-OD2 2.78Å; K319-D360 PolarHBondContact NZ-OD2 3.18Å; K319-H414 PolarHBondContact NZ-O 3.2Å |
| 320 | P | 83.4 | Confident | 85.3 | Confident | 83 Ų | 83 | 56 Ų | 56 | 54% | 0.539 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -61.6 | 146 | -11.3 | 23.3 | -33.6 | 0 | 0 | 0 | 112.3 | M322 K356 K357 | P320-M322 PolarHBondContact O-N 2.85Å; P320-K356 WeakPolarHBondContact CD-O 3.41Å; P320-K357 HydrophobicContact CG-CD 4.32Å; P320-K357 PolarHBondContact O-NZ 3.35Å |
| 321 | D | 68.6 | Low | 86 | Confident | 99 Ų | 99 | 62.3 Ų | 62.3 | 53% | 0.529 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | 129.4 | -163.7 | -166.4 | 6.4 | 0 | 0 | 0 | 113.1 | G323 | D321-G323 VanDerWaalsContact C-N 3.29Å; D321-G323 WeakPolarHBondContact OD1-CA 3.38Å; D321-G323 PolarHBondContact OD1-N 2.96Å |
| 322 | M | 70.2 | Confident | 86.4 | Confident | 79 Ų | 79 | 64.6 Ų | 64.6 | 39% | 0.389 | 32% | 0.317 | S | S | . | . | trans | -95.8 | 17.5 | 172.7 | -64.4 | -72.8 | -76.3 | 0 | 0 | 111.2 | P320 K357 | P320-M322 PolarHBondContact O-N 2.85Å; M322-K357 PolarHBondContact SD-NZ 2.93Å | ||
| 323 | G | 69.4 | Low | 86.2 | Confident | 33 Ų | 33 | 67.6 Ų | 67.6 | 34% | 0.34 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | 71.2 | -154.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D321 K325 G326 | D321-G323 VanDerWaalsContact C-N 3.29Å; D321-G323 WeakPolarHBondContact OD1-CA 3.38Å; D321-G323 PolarHBondContact OD1-N 2.96Å; G323-K325 PolarHBondContact O-N 2.86Å; G323-G326 PolarHBondContact O-N 2.8Å |
| 324 | K | 67.3 | Low | 85.6 | Confident | 208 Ų | 208 | 74 Ų | 74 | 90% | 0.904 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -56.1 | -22.8 | -177 | -66.4 | -176.4 | -179.2 | 178.5 | 0 | 114.5 | ||
| 325 | K | 73.1 | Confident | 84.7 | Confident | 168 Ų | 168 | 80.6 Ų | 80.6 | 73% | 0.73 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -82.8 | -9.6 | 178.9 | -66.4 | -172.8 | 177 | -175.6 | 0 | 113.9 | G323 | G323-K325 PolarHBondContact O-N 2.86Š|
| 326 | G | 78.7 | Confident | 83.4 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -85.9 | -6.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | C317 L318 G323 | C317-G326 CarbonylContact C-O 3.55Å; C317-G326 VanDerWaalsContact CA-O 3.3Å; C317-G326 WeakPolarHBondContact CA-O 3.39Å; L318-G326 PolarHBondContact N-O 2.85Å; G323-G326 PolarHBondContact O-N 2.8Å |
| 327 | K | 89.7 | Confident | 82.5 | Confident | 130 Ų | 130 | 80.1 Ų | 80.1 | 57% | 0.565 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123.5 | -174.3 | -64.3 | 176.3 | -173 | 175.3 | 0 | 110.6 | I316 C317 | I316-K327 CarbonylContact O-C 3.58Å; I316-K327 WeakPolarHBondContact O-CA 3.48Å; C317-K327 HydrophobicContact CB-CG 4.31Å |
| 328 | C | 92.5 | Very high | 81.9 | Confident | 34 Ų | 34 | 82.3 Ų | 82.3 | 23% | 0.23 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 156.4 | 176.7 | -60.9 | 0 | 0 | 0 | 0 | 110.4 | K315 I316 F345 F347 | K315-C328 CarbonylContact C-O 3.53Å; K315-C328 WeakPolarHBondContact CA-O 3.44Å; I316-C328 PolarHBondContact N-O 3.5Å; I316-C328 PolarHBondContact O-N 3.1Å; C328-F345 HydrophobicContact CB-CB 4.24Å; C328-F345 HydrophobicContact CB-CD1 3.4Å; C328-F345 VanDerWaalsContact CB-CD1 3.4Å; C328-F345 HydrophobicContact CB-CD2 4.47Å; C328-F345 HydrophobicContact CB-CE1 3.8Å; C328-F345 HydrophobicContact CB-CG 3.77Å; C328-F345 HydrophobicContact CB-CZ 4.48Å; C328-F347 HydrophobicContact CB-CZ 4.48Å |
| 329 | K | 94.1 | Very high | 81.7 | Confident | 151 Ų | 151 | 82.4 Ų | 82.4 | 66% | 0.657 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 145.5 | 173.3 | 65 | 179 | -178.1 | 176.7 | 0 | 110.6 | V314 K315 | V314-K329 CarbonylContact O-C 3.48Å; V314-K329 WeakPolarHBondContact O-CA 3.36Å; K315-K329 HydrophobicContact CG-CB 4.36Å |
| 330 | T | 95.7 | Very high | 81.8 | Confident | 9 Ų | 9 | 85.2 Ų | 85.2 | 6% | 0.055 | 41% | 0.41 | C | S | . | . | trans | -78 | 174.1 | 174.7 | 65.3 | 0 | 0 | 0 | 0 | 111.8 | V295 V314 F341 E343 F345 | V295-T330 HydrophobicContact CB-CG2 4.05Å; V295-T330 HydrophobicContact CG1-CG2 4.11Å; V295-T330 HydrophobicContact CG2-CG2 4.09Å; V314-T330 HydrophobicContact CB-CG2 3.89Å; V314-T330 HydrophobicContact CG2-CG2 4.46Å; V314-T330 PolarHBondContact N-OG1 2.95Å; V314-T330 PolarHBondContact O-N 2.75Å; T330-F341 HydrophobicContact CG2-CB 4.45Å; T330-F341 HydrophobicContact CG2-CD1 4.11Å; T330-F341 HydrophobicContact CG2-CG 4.27Å; T330-F341 WeakPolarHBondContact OG1-CD1 3.31Å; T330-F341 WeakPolarHBondContact OG1-CE1 3.3Å; T330-E343 VanDerWaalsContact CA-OE2 3.26Å; T330-E343 WeakPolarHBondContact CA-OE2 3.43Å; T330-E343 HydrophobicContact CG2-CB 4.42Å; T330-F345 HydrophobicContact CG2-CE2 3.78Å; T330-F345 HydrophobicContact CG2-CZ 3.82Å | ||
| 331 | Q | 93.8 | Very high | 82.2 | Confident | 131 Ų | 131 | 81.7 Ų | 81.7 | 61% | 0.612 | 39% | 0.386 | S | S | * | . | trans | -65 | 155.3 | 162.8 | -60.5 | 178.9 | 33.5 | 0 | 0 | 111 | F341 E343 | Q331-F341 VanDerWaalsContact O-CE1 3.26Å; Q331-F341 WeakPolarHBondContact O-CE1 3.46Å; Q331-E343 WeakPolarHBondContact CB-OE1 3.4Å; Q331-E343 WeakPolarHBondContact CG-OE1 3.49Å; Q331-E343 PolarHBondContact N-OE1 2.94Å; Q331-E343 PolarHBondContact N-OE2 2.8Å | ||
| 332 | I | 93.4 | Very high | 83.4 | Confident | 68 Ų | 68 | 82.2 Ų | 82.2 | 35% | 0.349 | 39% | 0.389 | S | S | . | . | trans | -85.2 | 125.6 | 174.9 | -64.1 | 155.7 | 0 | 0 | 0 | 108.5 | D311 Y313 Y366 | D311-I332 HydrophobicContact CB-CG2 4.04Å; Y313-I332 HydrophobicContact CD1-CG1 4.13Å; Y313-I332 HydrophobicContact CG-CG1 4.06Å; I332-Y366 HydrophobicContact CD1-CD1 3.91Å; I332-Y366 HydrophobicContact CD1-CD2 3.69Å; I332-Y366 HydrophobicContact CD1-CE1 4.35Å; I332-Y366 HydrophobicContact CD1-CE2 4.17Å; I332-Y366 HydrophobicContact CD1-CG 3.54Å; I332-Y366 HydrophobicContact CG1-CG 4.25Å; I332-Y366 HydrophobicContact CG2-CD1 4.24Å; I332-Y366 HydrophobicContact CG2-CG 4.25Å | ||
| 333 | K | 87.2 | Confident | 84.6 | Confident | 63 Ų | 63 | 79.9 Ų | 79.9 | 27% | 0.274 | 38% | 0.377 | S | S | . | . | trans | -102.9 | 115.9 | 175.7 | -61.2 | -70.1 | 172.8 | 153.6 | 0 | 108.2 | D311 P312 T336 P339 E340 F341 | D311-K333 CarbonylContact C-O 3.58Å; D311-K333 VanDerWaalsContact CA-O 3.28Å; D311-K333 WeakPolarHBondContact CA-O 3.41Å; P312-K333 WeakPolarHBondContact CD-O 3.34Å; P312-K333 HydrophobicContact CG-CB 4.49Å; P312-K333 PolarHBondContact O-N 3.22Å; K333-T336 HydrophobicContact CB-CG2 3.85Å; K333-P339 HydrophobicContact CB-CB 3.8Å; K333-P339 HydrophobicContact CG-CB 3.91Å; K333-E340 WeakPolarHBondContact CE-O 3.28Å; K333-E340 PolarHBondContact NZ-O 2.83Å; K333-F341 HydrophobicContact CB-CE1 4.41Å; K333-F341 HydrophobicContact CG-CD1 3.88Å; K333-F341 HydrophobicContact CG-CE1 3.58Å; K333-F341 HydrophobicContact CG-CZ 4.27Å | ||
| 334 | K | 83.3 | Confident | 85.8 | Confident | 145 Ų | 145 | 83.4 Ų | 83.4 | 63% | 0.63 | 39% | 0.385 | S | S | * | . | trans | -80.4 | 142 | -172.2 | -61.8 | -174 | 178.6 | -174 | 0 | 112.9 | D311 T336 | D311-K334 WeakPolarHBondContact OD1-CA 3.45Å; D311-K334 WeakPolarHBondContact OD1-CB 3.41Å; K334-T336 PolarHBondContact O-N 2.74Å | ||
| 335 | R | 76.8 | Confident | 87.1 | Confident | 139 Ų | 139 | 74.9 Ų | 74.9 | 53% | 0.525 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 53 | 52.1 | 166.6 | -164.5 | -175.4 | 172.2 | 168 | 1 | 112.6 | Y309 S310 D311 | Y309-R335 HydrophobicContact CD2-CG 3.58Å; Y309-R335 HydrophobicContact CE2-CG 4.2Å; Y309-R335 HydrophobicContact CG-CG 3.77Å; S310-R335 CarbonylContact O-C 3.4Å; S310-R335 VanDerWaalsContact O-CA 3.3Å; S310-R335 WeakPolarHBondContact O-CA 3.45Å; S310-R335 PolarHBondContact O-N 2.97Å; S310-R335 VanDerWaalsContact O-N 3.13Å; D311-R335 PolarHBondContact OD1-N 3.25Å |
| 336 | T | 69 | Low | 88.1 | Confident | 36 Ų | 36 | 70.2 Ų | 70.2 | 22% | 0.221 | 34% | 0.336 | C | S | . | . | trans | -146.9 | 141.1 | -179.9 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | S310 P312 K333 K334 N338 P339 | S310-T336 PolarHBondContact O-N 2.8Å; S310-T336 VanDerWaalsContact O-O 3.14Å; P312-T336 VanDerWaalsContact CD-O 3.23Å; P312-T336 WeakPolarHBondContact CD-O 3.38Å; P312-T336 HydrophobicContact CG-CG2 4.01Å; P312-T336 WeakPolarHBondContact CG-O 3.47Å; K333-T336 HydrophobicContact CB-CG2 3.85Å; K334-T336 PolarHBondContact O-N 2.74Å; T336-N338 PolarHBondContact OG1-N 3.41Å; T336-N338 VanDerWaalsContact OG1-N 3.12Å; T336-N338 PolarHBondContact OG1-O 3.08Å; T336-P339 HydrophobicContact CG2-CB 3.83Å | ||
| 337 | L | 74.3 | Confident | 88.7 | Confident | 27 Ų | 27 | 70.5 Ų | 70.5 | 14% | 0.141 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -100.3 | -2.6 | 170.4 | -56.6 | -179.3 | 0 | 0 | 0 | 112.3 | H300 L301 A303 Y309 P339 | H300-L337 PolarHBondContact N-O 2.77Å; L301-L337 HydrophobicContact CB-CB 4.38Å; L301-L337 HydrophobicContact CB-CD2 4.37Å; L301-L337 PolarHBondContact N-O 3.29Å; L301-L337 WeakPolarHBondContact O-CD2 2.83Å; A303-L337 HydrophobicContact CB-CD1 4.22Å; A303-L337 HydrophobicContact CB-CD2 4.05Å; Y309-L337 HydrophobicContact CD1-CG 4.28Å; L337-P339 VanDerWaalsContact C-CD 3.42Å |
| 338 | N | 80.3 | Confident | 88.8 | Confident | 64 Ų | 64 | 68.2 Ų | 68.2 | 34% | 0.342 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -130.6 | 61.2 | 178.8 | -53.9 | -76.6 | 0 | 0 | 0 | 109.8 | C298 V299 H300 T336 | C298-N338 CarbonylContact O-C 3.51Å; C298-N338 VanDerWaalsContact O-CA 3.23Å; C298-N338 WeakPolarHBondContact O-CA 3.15Å; V299-N338 VanDerWaalsContact CA-OD1 3.27Å; V299-N338 WeakPolarHBondContact CA-OD1 3.38Å; H300-N338 PolarHBondContact N-OD1 3.04Å; T336-N338 PolarHBondContact OG1-N 3.41Å; T336-N338 VanDerWaalsContact OG1-N 3.12Å; T336-N338 PolarHBondContact OG1-O 3.08Å |
| 339 | P | 86.4 | Confident | 88.7 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.013 | 32% | 0.322 | C | S | . | . | trans | -68.4 | 137.3 | -179 | 30.5 | -38.4 | 0 | 0 | 0 | 111.8 | R297 C298 L301 P312 K333 T336 L337 F341 | R297-P339 CarbonylContact C-O 3.55Å; R297-P339 WeakPolarHBondContact CA-O 3.49Å; R297-P339 WeakPolarHBondContact CB-O 3.07Å; C298-P339 HydrophobicContact CB-CG 3.75Å; C298-P339 PolarHBondContact N-O 3.1Å; L301-P339 HydrophobicContact CD1-CG 3.77Å; P312-P339 HydrophobicContact CB-CG 4.03Å; P312-P339 HydrophobicContact CG-CB 3.72Å; P312-P339 HydrophobicContact CG-CG 3.48Å; P312-P339 VanDerWaalsContact CG-CG 3.48Å; K333-P339 HydrophobicContact CB-CB 3.8Å; K333-P339 HydrophobicContact CG-CB 3.91Å; T336-P339 HydrophobicContact CG2-CB 3.83Å; L337-P339 VanDerWaalsContact C-CD 3.42Å; P339-F341 HydrophobicContact CB-CD2 4.33Å; P339-F341 HydrophobicContact CB-CE1 4.29Å; P339-F341 HydrophobicContact CB-CE2 3.65Å; P339-F341 HydrophobicContact CB-CZ 3.62Å; P339-F341 HydrophobicContact CG-CD2 4.41Å; P339-F341 HydrophobicContact CG-CE2 3.47Å; P339-F341 VanDerWaalsContact CG-CE2 3.47Å; P339-F341 HydrophobicContact CG-CZ 3.68Å | ||
| 340 | E | 90.7 | Very high | 88.5 | Confident | 121 Ų | 121 | 65.8 Ų | 65.8 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 118.4 | 165.1 | -64.7 | -177.3 | 179.3 | 0 | 0 | 108.9 | R297 K333 | R297-E340 HydrophobicContact CB-CB 4.47Å; R297-E340 HydrophobicContact CB-CG 4.02Å; K333-E340 WeakPolarHBondContact CE-O 3.28Å; K333-E340 PolarHBondContact NZ-O 2.83Å |
| 341 | F | 92.8 | Very high | 88.1 | Confident | 9 Ų | 9 | 68.1 Ų | 68.1 | 4% | 0.039 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -54.2 | 179.9 | -61.9 | -78.7 | 0 | 0 | 0 | 109.9 | V295 V296 P312 V314 T330 Q331 K333 P339 E343 | V295-F341 HydrophobicContact CB-CB 4.42Å; V295-F341 HydrophobicContact CG1-CB 3.99Å; V295-F341 HydrophobicContact CG1-CD2 3.62Å; V295-F341 HydrophobicContact CG1-CE2 4.37Å; V295-F341 HydrophobicContact CG1-CG 3.99Å; V295-F341 WeakPolarHBondContact O-CB 2.99Å; V296-F341 PolarHBondContact O-N 3.12Å; P312-F341 HydrophobicContact CB-CZ 4.4Å; V314-F341 HydrophobicContact CG2-CD2 4.24Å; V314-F341 HydrophobicContact CG2-CE2 3.67Å; V314-F341 HydrophobicContact CG2-CZ 3.88Å; T330-F341 HydrophobicContact CG2-CB 4.45Å; T330-F341 HydrophobicContact CG2-CD1 4.11Å; T330-F341 HydrophobicContact CG2-CG 4.27Å; T330-F341 WeakPolarHBondContact OG1-CD1 3.31Å; T330-F341 WeakPolarHBondContact OG1-CE1 3.3Å; Q331-F341 VanDerWaalsContact O-CE1 3.26Å; Q331-F341 WeakPolarHBondContact O-CE1 3.46Å; K333-F341 HydrophobicContact CB-CE1 4.41Å; K333-F341 HydrophobicContact CG-CD1 3.88Å; K333-F341 HydrophobicContact CG-CE1 3.58Å; K333-F341 HydrophobicContact CG-CZ 4.27Å; P339-F341 HydrophobicContact CB-CD2 4.33Å; P339-F341 HydrophobicContact CB-CE1 4.29Å; P339-F341 HydrophobicContact CB-CE2 3.65Å; P339-F341 HydrophobicContact CB-CZ 3.62Å; P339-F341 HydrophobicContact CG-CD2 4.41Å; P339-F341 HydrophobicContact CG-CE2 3.47Å; P339-F341 VanDerWaalsContact CG-CE2 3.47Å; P339-F341 HydrophobicContact CG-CZ 3.68Å; F341-E343 HydrophobicContact CB-CG 4.31Å; F341-E343 PolarHBondContact O-N 3.28Å |
| 342 | N | 93.4 | Very high | 87.8 | Confident | 109 Ų | 109 | 66 Ų | 66 | 58% | 0.583 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 50.5 | 42.6 | -172.6 | -57.4 | -46.8 | 0 | 0 | 0 | 111.8 | V295 V296 | V295-N342 WeakPolarHBondContact O-CA 3.42Å; V295-N342 PolarHBondContact O-N 3.19Å; V296-N342 PolarHBondContact O-N 3.11Å; V296-N342 PolarHBondContact O-OD1 3.15Å |
| 343 | E | 95.1 | Very high | 87.6 | Confident | 30 Ų | 30 | 66.5 Ų | 66.5 | 14% | 0.14 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 135.3 | -177.8 | -68.1 | -178.3 | -131.5 | 0 | 0 | 110.3 | G294 V295 T330 Q331 F341 F345 | G294-E343 CarbonylContact C-O 3.49Å; G294-E343 WeakPolarHBondContact CA-O 3.42Å; V295-E343 PolarHBondContact N-O 3.16Å; V295-E343 PolarHBondContact O-N 3.27Å; T330-E343 VanDerWaalsContact CA-OE2 3.26Å; T330-E343 WeakPolarHBondContact CA-OE2 3.43Å; T330-E343 HydrophobicContact CG2-CB 4.42Å; Q331-E343 WeakPolarHBondContact CB-OE1 3.4Å; Q331-E343 WeakPolarHBondContact CG-OE1 3.49Å; Q331-E343 PolarHBondContact N-OE1 2.94Å; Q331-E343 PolarHBondContact N-OE2 2.8Å; F341-E343 HydrophobicContact CB-CG 4.31Å; F341-E343 PolarHBondContact O-N 3.28Å; E343-F345 HydrophobicContact CB-CE2 4.13Å; E343-F345 HydrophobicContact CB-CZ 4.14Å |
| 344 | E | 95.3 | Very high | 87.6 | Confident | 107 Ų | 107 | 63.5 Ų | 63.5 | 50% | 0.5 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 139.7 | 177.9 | -63.3 | -169 | 148.3 | 0 | 0 | 111.8 | I292 V293 R402 | I292-E344 HydrophobicContact CG2-CB 4.27Å; V293-E344 WeakPolarHBondContact O-CA 3.31Å; E344-R402 IonicContact OE1-CZ 3.47Å; E344-R402 IonicContact OE1-NH1 3.26Å; E344-R402 PolarHBondContact OE1-NH1 2.97Å; E344-R402 IonicContact OE1-NH2 2.64Å; E344-R402 PolarHBondContact OE1-NH2 2.96Å |
| 345 | F | 94.7 | Very high | 87.8 | Confident | 29 Ų | 29 | 58.5 Ų | 58.5 | 13% | 0.127 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 133.5 | 178.1 | -56.3 | -78.4 | 0 | 0 | 0 | 109.7 | I292 V293 V295 I316 C328 T330 E343 F347 | I292-F345 CarbonylContact C-O 3.53Å; I292-F345 WeakPolarHBondContact CA-O 3.46Å; V293-F345 PolarHBondContact N-O 2.84Å; V293-F345 PolarHBondContact O-N 2.85Å; V295-F345 HydrophobicContact CG2-CD2 4.44Å; V295-F345 HydrophobicContact CG2-CE2 4.08Å; I316-F345 HydrophobicContact CD1-CD2 3.34Å; I316-F345 HydrophobicContact CD1-CE2 3.69Å; I316-F345 HydrophobicContact CD1-CG 4.23Å; C328-F345 HydrophobicContact CB-CB 4.24Å; C328-F345 HydrophobicContact CB-CD1 3.4Å; C328-F345 VanDerWaalsContact CB-CD1 3.4Å; C328-F345 HydrophobicContact CB-CD2 4.47Å; C328-F345 HydrophobicContact CB-CE1 3.8Å; C328-F345 HydrophobicContact CB-CG 3.77Å; C328-F345 HydrophobicContact CB-CZ 4.48Å; T330-F345 HydrophobicContact CG2-CE2 3.78Å; T330-F345 HydrophobicContact CG2-CZ 3.82Å; E343-F345 HydrophobicContact CB-CE2 4.13Å; E343-F345 HydrophobicContact CB-CZ 4.14Å; F345-F347 HydrophobicContact CB-CE2 4.3Å |
| 346 | S | 92.8 | Very high | 88.4 | Confident | 70 Ų | 70 | 59.8 Ų | 59.8 | 49% | 0.49 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 129.1 | 179 | 63.6 | 0 | 0 | 0 | 0 | 111.4 | L291 | L291-S346 CarbonylContact O-C 3.55Å; L291-S346 WeakPolarHBondContact O-CA 3.28Å |
| 347 | F | 92.2 | Very high | 89.4 | Confident | 7 Ų | 7 | 59 Ų | 59 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.9 | 173.5 | -60 | -81.2 | 0 | 0 | 0 | 110.2 | R290 L291 V293 I316 L318 C328 F345 I349 L359 | R290-F347 CarbonylContact C-O 3.44Å; R290-F347 VanDerWaalsContact CA-O 3.24Å; R290-F347 WeakPolarHBondContact CA-O 3.22Å; L291-F347 HydrophobicContact CB-CB 4.43Å; L291-F347 PolarHBondContact N-O 3.17Å; L291-F347 PolarHBondContact O-N 3.37Å; V293-F347 HydrophobicContact CB-CE2 4.24Å; V293-F347 HydrophobicContact CG2-CD2 3.92Å; V293-F347 HydrophobicContact CG2-CE2 3.81Å; I316-F347 HydrophobicContact CG2-CE2 4.18Å; I316-F347 HydrophobicContact CG2-CZ 4.03Å; L318-F347 HydrophobicContact CB-CD1 4.3Å; L318-F347 HydrophobicContact CB-CE1 4.36Å; L318-F347 HydrophobicContact CD2-CB 3.99Å; L318-F347 HydrophobicContact CD2-CD1 4.38Å; L318-F347 HydrophobicContact CD2-CG 4.11Å; C328-F347 HydrophobicContact CB-CZ 4.48Å; F345-F347 HydrophobicContact CB-CE2 4.3Å; F347-I349 PolarHBondContact O-N 2.94Å; F347-I349 VanDerWaalsContact O-N 3.11Å; F347-L359 HydrophobicContact CE2-CD1 4.37Å |
| 348 | D | 91.1 | Very high | 90.3 | Very high | 82 Ų | 82 | 58.8 Ų | 58.8 | 44% | 0.439 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 100.6 | 172.7 | -73.7 | -49.6 | 0 | 0 | 0 | 109.8 | R290 | R290-D348 WeakPolarHBondContact CD-OD1 3.4Å; R290-D348 VanDerWaalsContact CG-OD1 3.32Å; R290-D348 WeakPolarHBondContact CG-OD1 3.08Å; R290-D348 IonicContact CZ-OD1 3.6Å; R290-D348 IonicContact NE-OD1 3.12Å; R290-D348 PolarHBondContact NE-OD1 2.78Å; R290-D348 IonicContact NH2-OD1 3.84Å; R290-D348 PolarHBondContact NH2-OD1 2.85Å; R290-D348 IonicContact NH2-OD2 2.68Å |
| 349 | I | 89.9 | Confident | 90.9 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | trans | -150.6 | 137.9 | -179.7 | -171.5 | 166.3 | 0 | 0 | 0 | 112 | Y284 N289 L291 L318 F347 E353 L354 K357 | Y284-I349 HydrophobicContact CE2-CG2 4.42Å; Y284-I349 VanDerWaalsContact CE2-O 3.25Å; Y284-I349 WeakPolarHBondContact CE2-O 3.3Å; Y284-I349 PolarHBondContact OH-O 3.42Å; N289-I349 CarbonylContact C-O 3.39Å; N289-I349 PolarHBondContact O-N 3.15Å; L291-I349 HydrophobicContact CB-CG2 3.83Å; L318-I349 HydrophobicContact CD2-CD1 4.24Å; F347-I349 PolarHBondContact O-N 2.94Å; F347-I349 VanDerWaalsContact O-N 3.11Å; I349-E353 HydrophobicContact CD1-CB 3.97Å; I349-E353 HydrophobicContact CG1-CB 3.85Å; I349-L354 HydrophobicContact CD1-CD2 4.35Å; I349-L354 HydrophobicContact CD1-CG 4.48Å; I349-L354 HydrophobicContact CG2-CD2 3.93Å; I349-L354 HydrophobicContact CG2-CG 4.18Å; I349-K357 HydrophobicContact CD1-CB 4.33Å; I349-K357 HydrophobicContact CD1-CD 4.05Å; I349-K357 HydrophobicContact CD1-CG 3.21Å | ||
| 350 | K | 90.3 | Very high | 91.2 | Very high | 129 Ų | 129 | 56 Ų | 56 | 56% | 0.561 | 29% | 0.288 | S | S | * | . | trans | -71.7 | 146 | 174.4 | -66.5 | -179.6 | -179.4 | 175.1 | 0 | 111.2 | S352 E353 L354 | K350-S352 PolarHBondContact O-N 3.25Å; K350-E353 HydrophobicContact CB-CG 4.32Å; K350-E353 PolarHBondContact O-N 2.81Å; K350-L354 PolarHBondContact O-N 2.82Å | ||
| 351 | H | 88.3 | Confident | 91.4 | Very high | 57 Ų | 57 | 50.2 Ų | 50.2 | 26% | 0.264 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.4 | -40.3 | 179.9 | -175.4 | -100.4 | 0 | 0 | 0 | 112.4 | Y284 E353 L354 L396 K399 | Y284-H351 HydrophobicContact CD1-CB 4.32Å; Y284-H351 AromaticContact CD1-CD2 3.65Å; Y284-H351 HydrophobicContact CE1-CB 3.55Å; Y284-H351 AromaticContact CE1-CD2 3.8Å; Y284-H351 PolarHBondContact OH-N 2.94Å; H351-E353 PolarHBondContact O-N 3Å; H351-L354 WeakPolarHBondContact O-CB 3.37Å; H351-L354 PolarHBondContact O-N 2.94Å; H351-L396 PolarHBondContact NE2-O 3.36Å; H351-K399 WeakPolarHBondContact CE1-CE 3.13Å; H351-K399 WeakPolarHBondContact NE2-CE 3.5Å |
| 352 | S | 87.8 | Confident | 91.4 | Very high | 88 Ų | 88 | 49.9 Ų | 49.9 | 62% | 0.615 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -63.6 | -23.2 | 177.8 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | K350 | K350-S352 PolarHBondContact O-N 3.25Å |
| 353 | E | 88.2 | Confident | 91.5 | Very high | 77 Ų | 77 | 44.7 Ų | 44.7 | 36% | 0.36 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -92.1 | -20.3 | -177.9 | -67.3 | 175 | -162.2 | 0 | 0 | 112.5 | I349 K350 H351 A355 K356 K357 | I349-E353 HydrophobicContact CD1-CB 3.97Å; I349-E353 HydrophobicContact CG1-CB 3.85Å; K350-E353 HydrophobicContact CB-CG 4.32Å; K350-E353 PolarHBondContact O-N 2.81Å; H351-E353 PolarHBondContact O-N 3Å; E353-A355 PolarHBondContact O-N 3.09Å; E353-K356 PolarHBondContact O-N 2.96Å; E353-K357 PolarHBondContact O-N 3.29Å |
| 354 | L | 87 | Confident | 91.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.9 | -35.9 | 178.4 | -84 | 170.6 | 0 | 0 | 0 | 113.1 | Y284 L291 I349 K350 H351 K356 K357 W392 L396 | Y284-L354 HydrophobicContact CD2-CD1 3.32Å; Y284-L354 HydrophobicContact CD2-CG 4.42Å; Y284-L354 HydrophobicContact CE2-CD1 3.67Å; Y284-L354 HydrophobicContact CE2-CG 4.47Å; Y284-L354 HydrophobicContact CG-CD1 3.83Å; L291-L354 HydrophobicContact CB-CD2 4.23Å; L291-L354 HydrophobicContact CD1-CD2 4.25Å; L291-L354 HydrophobicContact CD2-CD2 3.88Å; L291-L354 HydrophobicContact CG-CD2 4.34Å; I349-L354 HydrophobicContact CD1-CD2 4.35Å; I349-L354 HydrophobicContact CD1-CG 4.48Å; I349-L354 HydrophobicContact CG2-CD2 3.93Å; I349-L354 HydrophobicContact CG2-CG 4.18Å; K350-L354 PolarHBondContact O-N 2.82Å; H351-L354 WeakPolarHBondContact O-CB 3.37Å; H351-L354 PolarHBondContact O-N 2.94Å; L354-K356 PolarHBondContact O-N 2.88Å; L354-K356 VanDerWaalsContact O-N 3.16Å; L354-K357 PolarHBondContact O-N 3.43Å; L354-W392 HydrophobicContact CD2-CH2 4.04Å; L354-W392 HydrophobicContact CD2-CZ2 4.01Å; L354-L396 HydrophobicContact CB-CD1 4.4Å; L354-L396 HydrophobicContact CB-CD2 4.36Å; L354-L396 HydrophobicContact CB-CG 4.25Å |
| 355 | A | 87.9 | Confident | 91.1 | Very high | 41 Ų | 41 | 39.9 Ų | 39.9 | 34% | 0.339 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E353 I382 L396 | E353-A355 PolarHBondContact O-N 3.09Å; A355-I382 WeakPolarHBondContact O-CD1 3.12Å; A355-I382 VanDerWaalsContact O-CG1 3.28Å; A355-I382 WeakPolarHBondContact O-CG1 3.47Å; A355-L396 HydrophobicContact CB-CD2 4.1Å |
| 356 | K | 89.1 | Confident | 90.8 | Very high | 166 Ų | 166 | 42.4 Ų | 42.4 | 72% | 0.722 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -1.1 | 177.9 | -58 | 179.9 | -176.9 | 178 | 0 | 112.8 | P320 E353 L354 | P320-K356 WeakPolarHBondContact CD-O 3.41Å; E353-K356 PolarHBondContact O-N 2.96Å; L354-K356 PolarHBondContact O-N 2.88Å; L354-K356 VanDerWaalsContact O-N 3.16Å |
| 357 | K | 90.7 | Very high | 90.1 | Very high | 20 Ų | 20 | 40.1 Ų | 40.1 | 9% | 0.087 | 20% | 0.2 | C | C | . | . | trans | -101.8 | 158.1 | -179.6 | -64.3 | -50.9 | -166.4 | 173.4 | 0 | 111.9 | L318 K319 P320 M322 I349 E353 L354 W392 | L318-K357 HydrophobicContact CD1-CB 3.87Å; L318-K357 HydrophobicContact CD1-CG 4.4Å; L318-K357 HydrophobicContact CD2-CG 4.33Å; L318-K357 HydrophobicContact CG-CB 4.22Å; L318-K357 HydrophobicContact CG-CG 4.26Å; K319-K357 CarbonylContact O-C 3.58Å; K319-K357 VanDerWaalsContact O-CA 3.22Å; K319-K357 WeakPolarHBondContact O-CA 3.23Å; K319-K357 WeakPolarHBondContact O-CD 3.49Å; P320-K357 HydrophobicContact CG-CD 4.32Å; P320-K357 PolarHBondContact O-NZ 3.35Å; M322-K357 PolarHBondContact SD-NZ 2.93Å; I349-K357 HydrophobicContact CD1-CB 4.33Å; I349-K357 HydrophobicContact CD1-CD 4.05Å; I349-K357 HydrophobicContact CD1-CG 3.21Å; E353-K357 PolarHBondContact O-N 3.29Å; L354-K357 PolarHBondContact O-N 3.43Å; K357-W392 HydrophobicContact CB-CZ2 4.32Å | ||
| 358 | T | 92.1 | Very high | 89.4 | Confident | 22 Ų | 22 | 46.1 Ų | 46.1 | 14% | 0.135 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 124.7 | 178.1 | -58.6 | 0 | 0 | 0 | 0 | 108.2 | K319 Q379 L380 | K319-T358 PolarHBondContact N-O 3.41Å; K319-T358 PolarHBondContact O-N 3.28Å; T358-Q379 HydrophobicContact CG2-CG 3.15Å; T358-L380 CarbonylContact C-O 3.43Å; T358-L380 WeakPolarHBondContact CA-O 3.3Å |
| 359 | L | 93.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 112.7 | 176.8 | -172.7 | 72.5 | 0 | 0 | 0 | 109.3 | L282 V293 I316 L318 F347 I361 Q379 L380 W392 | L282-L359 HydrophobicContact CD2-CD2 3.79Å; V293-L359 HydrophobicContact CG1-CD2 3.85Å; V293-L359 HydrophobicContact CG2-CD1 4.19Å; V293-L359 HydrophobicContact CG2-CD2 4.01Å; I316-L359 HydrophobicContact CG2-CD1 3.38Å; I316-L359 HydrophobicContact CG2-CG 4.11Å; L318-L359 HydrophobicContact CD1-CB 4.33Å; L318-L359 HydrophobicContact CD1-CD1 4.05Å; F347-L359 HydrophobicContact CE2-CD1 4.37Å; L359-I361 HydrophobicContact CD2-CD1 4.07Å; L359-I361 HydrophobicContact CD2-CG1 4.3Å; L359-I361 HydrophobicContact CG-CD1 4.38Å; L359-I361 HydrophobicContact CG-CG1 4.18Å; L359-Q379 WeakPolarHBondContact O-CA 3.41Å; L359-L380 HydrophobicContact CB-CB 4.29Å; L359-L380 HydrophobicContact CD2-CD1 4.31Å; L359-L380 PolarHBondContact N-O 3.46Å; L359-L380 PolarHBondContact O-N 3.04Å; L359-W392 HydrophobicContact CB-CE3 4.45Å; L359-W392 HydrophobicContact CB-CH2 4.14Å; L359-W392 HydrophobicContact CB-CZ3 3.68Å; L359-W392 HydrophobicContact CD2-CZ3 4.29Å |
| 360 | D | 92.8 | Very high | 87.8 | Confident | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.032 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 126.5 | 176.8 | -142 | -21.8 | 0 | 0 | 0 | 109.5 | I316 C317 K319 | I316-D360 CarbonylContact C-O 3.53Å; I316-D360 WeakPolarHBondContact CA-O 3.35Å; C317-D360 HydrophobicContact CB-CB 4.18Å; C317-D360 PolarHBondContact N-O 2.85Å; C317-D360 PolarHBondContact O-N 3.28Å; K319-D360 HydrophobicContact CD-CB 4.47Å; K319-D360 WeakPolarHBondContact CE-OD2 3.01Å; K319-D360 IonicContact NZ-OD2 2.78Å; K319-D360 PolarHBondContact NZ-OD2 3.18Å |
| 361 | I | 94.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 123.5 | -175.4 | -59.3 | 157.1 | 0 | 0 | 0 | 107.3 | I278 M280 V314 L359 G377 C378 L380 | I278-I361 HydrophobicContact CD1-CG2 3.92Å; M280-I361 HydrophobicContact CE-CD1 3.78Å; M280-I361 HydrophobicContact CE-CG1 4.27Å; M280-I361 HydrophobicContact CG-CD1 3.91Å; M280-I361 HydrophobicContact SD-CD1 4Å; M280-I361 HydrophobicContact SD-CG2 4.24Å; V314-I361 HydrophobicContact CG1-CG2 3.83Å; L359-I361 HydrophobicContact CD2-CD1 4.07Å; L359-I361 HydrophobicContact CD2-CG1 4.3Å; L359-I361 HydrophobicContact CG-CD1 4.38Å; L359-I361 HydrophobicContact CG-CG1 4.18Å; I361-G377 CarbonylContact O-C 3.59Å; I361-G377 WeakPolarHBondContact O-CA 3.17Å; I361-C378 WeakPolarHBondContact CB-O 3.4Å; I361-C378 PolarHBondContact N-O 2.87Å; I361-C378 PolarHBondContact O-N 3.41Å; I361-C378 VanDerWaalsContact O-O 3.11Å; I361-L380 HydrophobicContact CD1-CD1 3.83Å; I361-L380 HydrophobicContact CD1-CG 3.97Å |
| 362 | S | 93.8 | Very high | 87.2 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.2 | 178.5 | 54.6 | 0 | 0 | 0 | 0 | 111 | V314 K315 W364 I415 | V314-S362 CarbonylContact C-O 3.57Å; V314-S362 WeakPolarHBondContact CA-O 3.21Å; K315-S362 PolarHBondContact N-O 3.46Å; K315-S362 PolarHBondContact O-N 2.91Å; K315-S362 PolarHBondContact O-OG 2.77Å; S362-W364 PolarHBondContact OG-NE1 3.09Å; S362-I415 WeakPolarHBondContact OG-CD1 3.26Å |
| 363 | V | 94.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 133.2 | 178 | -170 | 0 | 0 | 0 | 0 | 108.1 | I278 L301 P312 V314 I375 G376 L409 | I278-V363 HydrophobicContact CD1-CG2 4.14Å; L301-V363 HydrophobicContact CD1-CG1 3.99Å; L301-V363 HydrophobicContact CD2-CG1 4.15Å; P312-V363 HydrophobicContact CB-CG1 4.3Å; V314-V363 HydrophobicContact CG1-CG2 4.49Å; V314-V363 HydrophobicContact CG2-CG1 4.46Å; V314-V363 HydrophobicContact CG2-CG2 4.1Å; V363-I375 HydrophobicContact CB-CB 4.4Å; V363-I375 HydrophobicContact CG1-CB 4.36Å; V363-I375 HydrophobicContact CG1-CD1 4.21Å; V363-I375 WeakPolarHBondContact O-CB 3.39Å; V363-I375 PolarHBondContact O-N 2.83Å; V363-G376 PolarHBondContact N-O 3.43Å; V363-G376 PolarHBondContact O-N 2.9Å; V363-L409 HydrophobicContact CB-CD1 4.11Å; V363-L409 HydrophobicContact CG2-CD1 3.6Å; V363-L409 HydrophobicContact CG2-CD2 3.74Å; V363-L409 HydrophobicContact CG2-CG 4.34Å |
| 364 | W | 93.4 | Very high | 87.1 | Confident | 37 Ų | 37 | 48.7 Ų | 48.7 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 147 | -172.5 | -66.5 | 79.3 | 0 | 0 | 0 | 109.7 | P312 Y313 S362 N372 D373 Y374 | P312-W364 CarbonylContact C-O 3.55Å; P312-W364 VanDerWaalsContact CA-O 3.25Å; P312-W364 WeakPolarHBondContact CA-O 3.25Å; Y313-W364 HydrophobicContact CD1-CB 3.84Å; Y313-W364 WeakPolarHBondContact CD1-O 3.34Å; Y313-W364 HydrophobicContact CE1-CB 3.21Å; Y313-W364 HydrophobicContact CE1-CG 4.2Å; Y313-W364 HydrophobicContact CE2-CB 4.06Å; Y313-W364 HydrophobicContact CE2-CG 4.33Å; Y313-W364 HydrophobicContact CG-CB 4.46Å; Y313-W364 AromaticContact CZ-CG 3.8Å; Y313-W364 PolarHBondContact N-O 2.78Å; Y313-W364 PolarHBondContact O-N 2.86Å; Y313-W364 WeakPolarHBondContact OH-CB 3.45Å; S362-W364 PolarHBondContact OG-NE1 3.09Å; W364-N372 HydrophobicContact CE3-CB 4.18Å; W364-N372 WeakPolarHBondContact CZ3-O 3.45Å; W364-D373 CarbonylContact C-O 3.57Å; W364-D373 VanDerWaalsContact CA-O 3.31Å; W364-D373 WeakPolarHBondContact CA-O 3.45Å; W364-Y374 HydrophobicContact CD2-CD2 4.18Å; W364-Y374 AromaticContact CE2-CD2 3.79Å; W364-Y374 HydrophobicContact CE3-CD2 4.48Å; W364-Y374 HydrophobicContact CH2-CD2 4.11Å; W364-Y374 AromaticContact CZ2-CD2 3.77Å; W364-Y374 HydrophobicContact CZ2-CD2 3.77Å; W364-Y374 HydrophobicContact CZ2-CE2 4.44Å; W364-Y374 HydrophobicContact CZ3-CD2 4.45Å |
| 365 | D | 88.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 139.2 | 165.6 | -159.2 | -9.4 | 0 | 0 | 0 | 109.6 | M304 S310 D311 N372 D373 I375 | M304-D365 HydrophobicContact CB-CB 4.09Å; M304-D365 WeakPolarHBondContact CB-OD2 3.43Å; M304-D365 HydrophobicContact CG-CB 4.06Å; S310-D365 VanDerWaalsContact CA-OD2 3.26Å; S310-D365 WeakPolarHBondContact CA-OD2 3.34Å; S310-D365 WeakPolarHBondContact CB-OD2 3.23Å; S310-D365 PolarHBondContact OG-OD2 3.35Å; D311-D365 WeakPolarHBondContact CA-OD1 3.08Å; D311-D365 WeakPolarHBondContact CB-OD1 3.35Å; D311-D365 PolarHBondContact N-OD1 3.18Å; D365-N372 CarbonylContact O-C 3.6Å; D365-N372 VanDerWaalsContact O-CA 3.29Å; D365-N372 WeakPolarHBondContact O-CA 3.31Å; D365-N372 WeakPolarHBondContact O-CB 3.37Å; D365-D373 HydrophobicContact CB-CB 4.1Å; D365-D373 PolarHBondContact N-O 3.45Å; D365-D373 PolarHBondContact O-N 3.42Å; D365-I375 HydrophobicContact CB-CD1 4.06Å; D365-I375 HydrophobicContact CB-CG1 4.16Å |
| 366 | Y | 88.9 | Confident | 87.3 | Confident | 82 Ų | 82 | 46.8 Ų | 46.8 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | trans | -101.3 | 114.3 | 177.8 | 175.1 | -100 | 0 | 0 | 0 | 111 | D311 I332 I368 N372 | D311-Y366 PolarHBondContact O-N 3.16Å; D311-Y366 VanDerWaalsContact O-N 3.09Å; I332-Y366 HydrophobicContact CD1-CD1 3.91Å; I332-Y366 HydrophobicContact CD1-CD2 3.69Å; I332-Y366 HydrophobicContact CD1-CE1 4.35Å; I332-Y366 HydrophobicContact CD1-CE2 4.17Å; I332-Y366 HydrophobicContact CD1-CG 3.54Å; I332-Y366 HydrophobicContact CG1-CG 4.25Å; I332-Y366 HydrophobicContact CG2-CD1 4.24Å; I332-Y366 HydrophobicContact CG2-CG 4.25Å; Y366-I368 HydrophobicContact CE1-CG1 3.8Å; Y366-N372 WeakPolarHBondContact CD2-OD1 3.39Å | ||
| 367 | D | 78.2 | Confident | 87.4 | Confident | 22 Ų | 22 | 39 Ų | 39 | 12% | 0.118 | 22% | 0.216 | C | C | . | . | trans | -103 | 128.1 | 179.3 | -70.6 | -79.8 | 0 | 0 | 0 | 112.3 | G369 K370 N372 | D367-G369 PolarHBondContact O-N 3.38Å; D367-K370 HydrophobicContact CB-CB 3.91Å; D367-N372 PolarHBondContact N-OD1 2.87Å | ||
| 368 | I | 76.6 | Confident | 87.4 | Confident | 133 Ų | 133 | 38.1 Ų | 38.1 | 68% | 0.682 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 112.5 | 173.5 | -61 | 173.8 | 0 | 0 | 0 | 109 | Y366 | Y366-I368 HydrophobicContact CE1-CG1 3.8Š|
| 369 | G | 69.5 | Low | 87.5 | Confident | 82 Ų | 82 | 39.1 Ų | 39.1 | 85% | 0.845 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 10.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D367 | D367-G369 PolarHBondContact O-N 3.38Š|
| 370 | K | 77.6 | Confident | 87.4 | Confident | 162 Ų | 162 | 39.1 Ų | 39.1 | 70% | 0.704 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -132.5 | 174.5 | 171 | -62.8 | -178.1 | -179.7 | 177.1 | 0 | 110.7 | D367 | D367-K370 HydrophobicContact CB-CB 3.91Š|
| 371 | S | 79.2 | Confident | 87.3 | Confident | 97 Ų | 97 | 38.9 Ų | 38.9 | 68% | 0.678 | 21% | 0.214 | S | C | * | . | P | Polyproline II helix | trans | -68.4 | 137.4 | 168.5 | 51.5 | 0 | 0 | 0 | 0 | 110.1 | ||
| 372 | N | 87.3 | Confident | 87.1 | Confident | 51 Ų | 51 | 43.3 Ų | 43.3 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -63.4 | 129.5 | 176.6 | -65.6 | -10.5 | 0 | 0 | 0 | 111.6 | Y313 W364 D365 Y366 D367 | Y313-N372 HydrophobicContact CE1-CB 4.42Å; Y313-N372 PolarHBondContact OH-ND2 2.9Å; W364-N372 HydrophobicContact CE3-CB 4.18Å; W364-N372 WeakPolarHBondContact CZ3-O 3.45Å; D365-N372 CarbonylContact O-C 3.6Å; D365-N372 VanDerWaalsContact O-CA 3.29Å; D365-N372 WeakPolarHBondContact O-CA 3.31Å; D365-N372 WeakPolarHBondContact O-CB 3.37Å; Y366-N372 WeakPolarHBondContact CD2-OD1 3.39Å; D367-N372 PolarHBondContact N-OD1 2.87Å |
| 373 | D | 85.6 | Confident | 86.7 | Confident | 65 Ų | 65 | 47.9 Ų | 47.9 | 35% | 0.348 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 139.8 | 179.2 | -73 | -30.4 | 0 | 0 | 0 | 112.7 | M304 W364 D365 I375 | M304-D373 HydrophobicContact CB-CB 3.93Å; M304-D373 HydrophobicContact CG-CB 3.98Å; W364-D373 CarbonylContact C-O 3.57Å; W364-D373 VanDerWaalsContact CA-O 3.31Å; W364-D373 WeakPolarHBondContact CA-O 3.45Å; D365-D373 HydrophobicContact CB-CB 4.1Å; D365-D373 PolarHBondContact N-O 3.45Å; D365-D373 PolarHBondContact O-N 3.42Å; D373-I375 PolarHBondContact O-N 2.77Å |
| 374 | Y | 89.1 | Confident | 86.3 | Confident | 35 Ų | 35 | 48.5 Ų | 48.5 | 14% | 0.137 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 116.9 | 176.3 | -179.7 | -98.1 | 0 | 0 | 0 | 110.2 | W364 G376 G377 N411 E412 N413 | W364-Y374 HydrophobicContact CD2-CD2 4.18Å; W364-Y374 AromaticContact CE2-CD2 3.79Å; W364-Y374 HydrophobicContact CE3-CD2 4.48Å; W364-Y374 HydrophobicContact CH2-CD2 4.11Å; W364-Y374 AromaticContact CZ2-CD2 3.77Å; W364-Y374 HydrophobicContact CZ2-CD2 3.77Å; W364-Y374 HydrophobicContact CZ2-CE2 4.44Å; W364-Y374 HydrophobicContact CZ3-CD2 4.45Å; Y374-G376 VanDerWaalsContact CE1-CA 3.44Å; Y374-G376 VanDerWaalsContact CZ-C 3.45Å; Y374-G376 VanDerWaalsContact OH-C 3.31Å; Y374-G377 WeakPolarHBondContact OH-CA 3.34Å; Y374-G377 PolarHBondContact OH-N 2.85Å; Y374-N411 WeakPolarHBondContact CE1-O 3.49Å; Y374-E412 PolarHBondContact OH-O 3.47Å; Y374-N413 HydrophobicContact CD1-CB 4.24Å; Y374-N413 HydrophobicContact CD2-CB 4.27Å; Y374-N413 HydrophobicContact CE1-CB 3.88Å; Y374-N413 HydrophobicContact CE2-CB 3.9Å; Y374-N413 VanDerWaalsContact CE2-OD1 3.28Å; Y374-N413 WeakPolarHBondContact CE2-OD1 3.27Å; Y374-N413 HydrophobicContact CG-CB 4.41Å; Y374-N413 WeakPolarHBondContact OH-CA 3.48Å |
| 375 | I | 87.3 | Confident | 85.8 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -55.1 | 177.8 | -60.6 | 176.1 | 0 | 0 | 0 | 109.1 | R275 L301 A302 M304 P312 V363 D365 D373 | R275-I375 HydrophobicContact CB-CG2 4.4Å; R275-I375 WeakPolarHBondContact CB-O 3.49Å; R275-I375 WeakPolarHBondContact CD-O 3.15Å; L301-I375 HydrophobicContact CB-CG2 4.29Å; L301-I375 HydrophobicContact CD1-CD1 4.43Å; L301-I375 HydrophobicContact CD2-CG2 4.19Å; A302-I375 HydrophobicContact CB-CG2 4.33Å; M304-I375 HydrophobicContact CG-CG1 3.8Å; P312-I375 HydrophobicContact CB-CD1 4.3Å; V363-I375 HydrophobicContact CB-CB 4.4Å; V363-I375 HydrophobicContact CG1-CB 4.36Å; V363-I375 HydrophobicContact CG1-CD1 4.21Å; V363-I375 WeakPolarHBondContact O-CB 3.39Å; V363-I375 PolarHBondContact O-N 2.83Å; D365-I375 HydrophobicContact CB-CD1 4.06Å; D365-I375 HydrophobicContact CB-CG1 4.16Å; D373-I375 PolarHBondContact O-N 2.77Å |
| 376 | G | 90.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173 | 168.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V363 Y374 L410 | V363-G376 PolarHBondContact N-O 3.43Å; V363-G376 PolarHBondContact O-N 2.9Å; Y374-G376 VanDerWaalsContact CE1-CA 3.44Å; Y374-G376 VanDerWaalsContact CZ-C 3.45Å; Y374-G376 VanDerWaalsContact OH-C 3.31Å; G376-L410 CarbonylContact C-O 3.58Å; G376-L410 WeakPolarHBondContact CA-O 3.48Å |
| 377 | G | 92 | Very high | 85.7 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 166.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I361 Y374 L410 | I361-G377 CarbonylContact O-C 3.59Å; I361-G377 WeakPolarHBondContact O-CA 3.17Å; Y374-G377 WeakPolarHBondContact OH-CA 3.34Å; Y374-G377 PolarHBondContact OH-N 2.85Å; G377-L410 PolarHBondContact N-O 3.2Å; G377-L410 PolarHBondContact O-N 3.03Å |
| 378 | C | 91.7 | Very high | 86.2 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.007 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 158.4 | 174.4 | 68.5 | 0 | 0 | 0 | 0 | 109.8 | I361 H407 | I361-C378 WeakPolarHBondContact CB-O 3.4Å; I361-C378 PolarHBondContact N-O 2.87Å; I361-C378 PolarHBondContact O-N 3.41Å; I361-C378 VanDerWaalsContact O-O 3.11Å; C378-H407 HydrophobicContact CB-CB 4.32Å |
| 379 | Q | 92.6 | Very high | 86.9 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 21% | 0.206 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 127 | -177.6 | -172.5 | 178.7 | 78.9 | 0 | 0 | 109.7 | T358 L359 R388 | T358-Q379 HydrophobicContact CG2-CG 3.15Å; L359-Q379 WeakPolarHBondContact O-CA 3.41Å; Q379-R388 WeakPolarHBondContact O-CD 3.39Å |
| 380 | L | 92.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 129.2 | 176.7 | -48.6 | -176.7 | 0 | 0 | 0 | 109 | L282 T358 L359 I361 R388 W392 | L282-L380 HydrophobicContact CD1-CD1 3.85Å; T358-L380 CarbonylContact C-O 3.43Å; T358-L380 WeakPolarHBondContact CA-O 3.3Å; L359-L380 HydrophobicContact CB-CB 4.29Å; L359-L380 HydrophobicContact CD2-CD1 4.31Å; L359-L380 PolarHBondContact N-O 3.46Å; L359-L380 PolarHBondContact O-N 3.04Å; I361-L380 HydrophobicContact CD1-CD1 3.83Å; I361-L380 HydrophobicContact CD1-CG 3.97Å; L380-R388 HydrophobicContact CD2-CB 3.68Å; L380-R388 HydrophobicContact CD2-CG 3.81Å; L380-W392 HydrophobicContact CB-CE3 3.92Å |
| 381 | G | 91.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.6 | 172.4 | -177 | 0 | 0 | 0 | 0 | 0 | 110.9 | T383 A384 | G381-T383 PolarHBondContact O-N 2.95Å; G381-A384 VanDerWaalsContact O-CB 3.27Å; G381-A384 WeakPolarHBondContact O-CB 3.43Å; G381-A384 PolarHBondContact O-N 3.4Å |
| 382 | I | 88.3 | Confident | 89.3 | Confident | 94 Ų | 94 | 44.9 Ų | 44.9 | 48% | 0.482 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -22.5 | 178.2 | 58.2 | 155.2 | 0 | 0 | 0 | 113.2 | A355 | A355-I382 WeakPolarHBondContact O-CD1 3.12Å; A355-I382 VanDerWaalsContact O-CG1 3.28Å; A355-I382 WeakPolarHBondContact O-CG1 3.47Å |
| 383 | T | 85.9 | Confident | 89.6 | Confident | 98 Ų | 98 | 49 Ų | 49 | 60% | 0.601 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -6.4 | 177.5 | 54.6 | 0 | 0 | 0 | 0 | 113 | G381 | G381-T383 PolarHBondContact O-N 2.95Š|
| 384 | A | 86.6 | Confident | 89.8 | Confident | 12 Ų | 12 | 48.6 Ų | 48.6 | 10% | 0.099 | 24% | 0.24 | C | C | . | . | trans | -71.3 | 167.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G381 R388 L389 | G381-A384 VanDerWaalsContact O-CB 3.27Å; G381-A384 WeakPolarHBondContact O-CB 3.43Å; G381-A384 PolarHBondContact O-N 3.4Å; A384-R388 HydrophobicContact CB-CB 3.71Å; A384-L389 WeakPolarHBondContact O-CB 3.31Å | ||
| 385 | K | 82.6 | Confident | 89.9 | Confident | 167 Ų | 167 | 47 Ų | 47 | 73% | 0.726 | 23% | 0.234 | S | C | * | . | trans | -122 | 152.3 | 178.9 | -62.7 | -178.7 | -178.1 | 178.1 | 0 | 111 | ||||
| 386 | G | 88.5 | Confident | 90 | Very high | 47 Ų | 47 | 48.4 Ų | 48.4 | 49% | 0.485 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | -136.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R388 L389 K390 | G386-R388 PolarHBondContact O-N 2.86Å; G386-L389 WeakPolarHBondContact O-CB 3.36Å; G386-L389 PolarHBondContact O-N 2.72Å; G386-L389 VanDerWaalsContact O-N 3.1Å; G386-K390 PolarHBondContact O-N 3.13Å; G386-K390 VanDerWaalsContact O-N 3.13Å |
| 387 | E | 86.5 | Confident | 90 | Very high | 89 Ų | 89 | 54.9 Ų | 54.9 | 42% | 0.416 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.5 | -31.4 | -177.1 | -65 | -52.3 | 125.7 | 0 | 0 | 113.8 | L389 K390 H391 R405 | E387-L389 VanDerWaalsContact C-N 3.32Å; E387-L389 PolarHBondContact O-N 2.85Å; E387-K390 PolarHBondContact O-N 3.33Å; E387-K390 WeakPolarHBondContact OE1-CD 3.35Å; E387-K390 WeakPolarHBondContact OE1-CE 3.27Å; E387-K390 IonicContact OE1-NZ 3.39Å; E387-K390 PolarHBondContact OE1-NZ 2.91Å; E387-H391 WeakPolarHBondContact O-CB 3.42Å; E387-H391 PolarHBondContact O-N 2.81Å; E387-R405 IonicContact OE2-NE 3.91Å |
| 388 | R | 90 | Very high | 89.9 | Confident | 69 Ų | 69 | 57.1 Ų | 57.1 | 26% | 0.26 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 176.7 | -65.4 | 178.7 | -67.6 | 179 | -5.9 | 112 | Q379 L380 A384 G386 W392 | Q379-R388 WeakPolarHBondContact O-CD 3.39Å; L380-R388 HydrophobicContact CD2-CB 3.68Å; L380-R388 HydrophobicContact CD2-CG 3.81Å; A384-R388 HydrophobicContact CB-CB 3.71Å; G386-R388 PolarHBondContact O-N 2.86Å; R388-W392 PolarHBondContact O-N 3.39Å |
| 389 | L | 90.6 | Very high | 89.8 | Confident | 63 Ų | 63 | 62 Ų | 62 | 33% | 0.33 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.1 | -45.1 | 176.1 | 178.8 | 60.5 | 0 | 0 | 0 | 111.3 | A384 G386 E387 H391 W392 Y393 | A384-L389 WeakPolarHBondContact O-CB 3.31Å; G386-L389 WeakPolarHBondContact O-CB 3.36Å; G386-L389 PolarHBondContact O-N 2.72Å; G386-L389 VanDerWaalsContact O-N 3.1Å; E387-L389 VanDerWaalsContact C-N 3.32Å; E387-L389 PolarHBondContact O-N 2.85Å; L389-H391 VanDerWaalsContact C-N 3.29Å; L389-H391 PolarHBondContact O-N 2.82Å; L389-W392 PolarHBondContact O-N 2.91Å; L389-Y393 VanDerWaalsContact O-CB 3.25Å; L389-Y393 WeakPolarHBondContact O-CB 3.47Å; L389-Y393 PolarHBondContact O-N 2.67Å |
| 390 | K | 90.4 | Very high | 89.7 | Confident | 104 Ų | 104 | 63 Ų | 63 | 45% | 0.452 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -56.9 | -45.3 | 178.4 | -68.5 | -178.8 | -173.7 | 168.5 | 0 | 111.2 | G386 E387 W392 Y393 E394 | G386-K390 PolarHBondContact O-N 3.13Å; G386-K390 VanDerWaalsContact O-N 3.13Å; E387-K390 PolarHBondContact O-N 3.33Å; E387-K390 WeakPolarHBondContact OE1-CD 3.35Å; E387-K390 WeakPolarHBondContact OE1-CE 3.27Å; E387-K390 IonicContact OE1-NZ 3.39Å; E387-K390 PolarHBondContact OE1-NZ 2.91Å; K390-W392 PolarHBondContact O-N 2.93Å; K390-Y393 PolarHBondContact O-N 3.21Å; K390-E394 WeakPolarHBondContact O-CB 3.48Å; K390-E394 WeakPolarHBondContact O-CG 3.28Å; K390-E394 PolarHBondContact O-N 3.2Å |
| 391 | H | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 178.2 | -164.7 | -164.8 | 0 | 0 | 0 | 112.6 | M280 E387 L389 C395 I403 R405 H407 | M280-H391 PolarHBondContact O-CE1 2.86Å; M280-H391 VanDerWaalsContact O-CE1 3.23Å; E387-H391 WeakPolarHBondContact O-CB 3.42Å; E387-H391 PolarHBondContact O-N 2.81Å; L389-H391 VanDerWaalsContact C-N 3.29Å; L389-H391 PolarHBondContact O-N 2.82Å; H391-C395 PolarHBondContact O-N 2.66Å; H391-C395 VanDerWaalsContact O-N 3.17Å; H391-I403 PolarHBondContact NE2-O 3Å; H391-I403 VanDerWaalsContact NE2-O 3.11Å; H391-R405 HydrophobicContact CB-CB 4.36Å; H391-H407 AromaticContact CE1-NE2 3.74Å; H391-H407 AromaticContact CG-NE2 3.69Å; H391-H407 AromaticContact ND1-CD2 3.93Å; H391-H407 AromaticContact ND1-CE1 3.6Å; H391-H407 AromaticContact ND1-NE2 2.88Å; H391-H407 PolarHBondContact ND1-NE2 3.39Å |
| 392 | W | 93.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.8 | -49 | 177.7 | -167.4 | -108 | 0 | 0 | 0 | 111.2 | L282 L291 L318 L354 K357 L359 L380 R388 L389 K390 E394 C395 L396 | L282-W392 HydrophobicContact CD1-CE3 3.97Å; L282-W392 HydrophobicContact CD1-CZ3 4.38Å; L291-W392 HydrophobicContact CD2-CH2 3.95Å; L291-W392 HydrophobicContact CD2-CZ3 4.21Å; L318-W392 HydrophobicContact CD1-CH2 4.22Å; L354-W392 HydrophobicContact CD2-CH2 4.04Å; L354-W392 HydrophobicContact CD2-CZ2 4.01Å; K357-W392 HydrophobicContact CB-CZ2 4.32Å; L359-W392 HydrophobicContact CB-CE3 4.45Å; L359-W392 HydrophobicContact CB-CH2 4.14Å; L359-W392 HydrophobicContact CB-CZ3 3.68Å; L359-W392 HydrophobicContact CD2-CZ3 4.29Å; L380-W392 HydrophobicContact CB-CE3 3.92Å; R388-W392 PolarHBondContact O-N 3.39Å; L389-W392 PolarHBondContact O-N 2.91Å; K390-W392 PolarHBondContact O-N 2.93Å; W392-E394 PolarHBondContact O-N 2.74Å; W392-C395 WeakPolarHBondContact O-CB 3.08Å; W392-C395 PolarHBondContact O-N 2.93Å; W392-L396 HydrophobicContact CD2-CD1 4.06Å; W392-L396 HydrophobicContact CG-CD1 3.94Å; W392-L396 HydrophobicContact CZ2-CD1 4.42Å; W392-L396 WeakPolarHBondContact O-CD1 3.28Å; W392-L396 PolarHBondContact O-N 2.97Å |
| 393 | Y | 91.9 | Very high | 90 | Very high | 138 Ų | 138 | 71.1 Ų | 71.1 | 54% | 0.541 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | -178.6 | -179 | -98.1 | 0 | 0 | 0 | 112.6 | L389 K390 C395 L396 K397 | L389-Y393 VanDerWaalsContact O-CB 3.25Å; L389-Y393 WeakPolarHBondContact O-CB 3.47Å; L389-Y393 PolarHBondContact O-N 2.67Å; K390-Y393 PolarHBondContact O-N 3.21Å; Y393-C395 VanDerWaalsContact C-N 3.35Å; Y393-C395 PolarHBondContact O-N 3.5Å; Y393-L396 PolarHBondContact O-N 3.3Å; Y393-L396 VanDerWaalsContact O-N 3.12Å; Y393-K397 HydrophobicContact CE1-CB 4.43Å; Y393-K397 HydrophobicContact CE1-CD 3.92Å; Y393-K397 WeakPolarHBondContact O-CB 3.33Å; Y393-K397 PolarHBondContact O-N 2.56Å |
| 394 | E | 91 | Very high | 90.4 | Very high | 56 Ų | 56 | 71.2 Ų | 71.2 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 176.6 | -78.4 | 178.6 | -162.6 | 0 | 0 | 112.6 | K390 W392 L396 K397 N398 I403 R405 | K390-E394 WeakPolarHBondContact O-CB 3.48Å; K390-E394 WeakPolarHBondContact O-CG 3.28Å; K390-E394 PolarHBondContact O-N 3.2Å; W392-E394 PolarHBondContact O-N 2.74Å; E394-L396 VanDerWaalsContact C-N 3.27Å; E394-L396 PolarHBondContact O-N 2.93Å; E394-K397 PolarHBondContact O-N 3.07Å; E394-N398 VanDerWaalsContact O-CB 3.28Å; E394-N398 WeakPolarHBondContact O-CB 3.29Å; E394-N398 PolarHBondContact O-N 3.18Å; E394-N398 PolarHBondContact O-ND2 3.38Å; E394-I403 HydrophobicContact CB-CG1 4.41Å; E394-R405 IonicContact OE1-CZ 3.38Å; E394-R405 IonicContact OE1-NH1 3.6Å; E394-R405 IonicContact OE1-NH2 3.7Å; E394-R405 PolarHBondContact OE1-NH2 3.12Å; E394-R405 IonicContact OE2-CZ 2.99Å; E394-R405 VanDerWaalsContact OE2-CZ 3.26Å; E394-R405 IonicContact OE2-NH1 3.09Å; E394-R405 PolarHBondContact OE2-NH1 3.45Å; E394-R405 IonicContact OE2-NH2 2.65Å; E394-R405 PolarHBondContact OE2-NH2 2.8Å |
| 395 | C | 91.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.007 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.1 | -35.8 | 171.8 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | L282 H391 W392 Y393 | L282-C395 HydrophobicContact CB-CB 3.92Å; L282-C395 HydrophobicContact CD1-CB 4.33Å; H391-C395 PolarHBondContact O-N 2.66Å; H391-C395 VanDerWaalsContact O-N 3.17Å; W392-C395 WeakPolarHBondContact O-CB 3.08Å; W392-C395 PolarHBondContact O-N 2.93Å; Y393-C395 VanDerWaalsContact C-N 3.35Å; Y393-C395 PolarHBondContact O-N 3.5Å |
| 396 | L | 88.8 | Confident | 90.9 | Very high | 30 Ų | 30 | 67.9 Ų | 67.9 | 16% | 0.157 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -72.4 | -39.4 | 176.6 | -88.5 | 81.8 | 0 | 0 | 0 | 112.4 | H351 L354 A355 W392 Y393 E394 | H351-L396 PolarHBondContact NE2-O 3.36Å; L354-L396 HydrophobicContact CB-CD1 4.4Å; L354-L396 HydrophobicContact CB-CD2 4.36Å; L354-L396 HydrophobicContact CB-CG 4.25Å; A355-L396 HydrophobicContact CB-CD2 4.1Å; W392-L396 HydrophobicContact CD2-CD1 4.06Å; W392-L396 HydrophobicContact CG-CD1 3.94Å; W392-L396 HydrophobicContact CZ2-CD1 4.42Å; W392-L396 WeakPolarHBondContact O-CD1 3.28Å; W392-L396 PolarHBondContact O-N 2.97Å; Y393-L396 PolarHBondContact O-N 3.3Å; Y393-L396 VanDerWaalsContact O-N 3.12Å; E394-L396 VanDerWaalsContact C-N 3.27Å; E394-L396 PolarHBondContact O-N 2.93Å |
| 397 | K | 90.1 | Very high | 90.9 | Very high | 137 Ų | 137 | 65.8 Ų | 65.8 | 60% | 0.596 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -76.4 | -45.9 | -176.9 | -175 | 178.6 | 177.3 | -176.2 | 0 | 112 | Y393 E394 K399 | Y393-K397 HydrophobicContact CE1-CB 4.43Å; Y393-K397 HydrophobicContact CE1-CD 3.92Å; Y393-K397 WeakPolarHBondContact O-CB 3.33Å; Y393-K397 PolarHBondContact O-N 2.56Å; E394-K397 PolarHBondContact O-N 3.07Å; K397-K399 PolarHBondContact O-N 3.24Å |
| 398 | N | 90.9 | Very high | 90.9 | Very high | 50 Ų | 50 | 64.4 Ų | 64.4 | 27% | 0.267 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -97.2 | 80.5 | -174.5 | -61.5 | -45 | 0 | 0 | 0 | 110.5 | E394 K401 | E394-N398 VanDerWaalsContact O-CB 3.28Å; E394-N398 WeakPolarHBondContact O-CB 3.29Å; E394-N398 PolarHBondContact O-N 3.18Å; E394-N398 PolarHBondContact O-ND2 3.38Å; N398-K401 HydrophobicContact CB-CB 4.04Å; N398-K401 HydrophobicContact CB-CD 4.15Å; N398-K401 HydrophobicContact CB-CG 4.32Å; N398-K401 PolarHBondContact O-N 2.88Å |
| 399 | K | 88.7 | Confident | 90.9 | Very high | 104 Ų | 104 | 61.1 Ų | 61.1 | 45% | 0.452 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 141.2 | 175.1 | -63.9 | 175.4 | -176.4 | -178.5 | 0 | 110.7 | T286 H351 K397 K401 | T286-K399 HydrophobicContact CG2-CB 3.75Å; T286-K399 HydrophobicContact CG2-CD 3.75Å; T286-K399 HydrophobicContact CG2-CG 4.03Å; H351-K399 WeakPolarHBondContact CE1-CE 3.13Å; H351-K399 WeakPolarHBondContact NE2-CE 3.5Å; K397-K399 PolarHBondContact O-N 3.24Å; K399-K401 PolarHBondContact O-N 3.11Å |
| 400 | D | 91.8 | Very high | 90.6 | Very high | 65 Ų | 65 | 59.9 Ų | 59.9 | 35% | 0.348 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 12.4 | 178.9 | -53.4 | -70.9 | 0 | 0 | 0 | 115.3 | Y284 S285 T286 | Y284-D400 WeakPolarHBondContact O-CA 3.33Å; Y284-D400 PolarHBondContact O-N 3.34Å; S285-D400 VanDerWaalsContact CA-OD1 3.28Å; S285-D400 WeakPolarHBondContact CA-OD1 3.42Å; T286-D400 WeakPolarHBondContact CB-OD2 3.45Å; T286-D400 VanDerWaalsContact CG2-OD2 3.24Å; T286-D400 WeakPolarHBondContact CG2-OD2 3.46Å; T286-D400 PolarHBondContact N-OD1 3.44Å; T286-D400 VanDerWaalsContact OG1-CG 3.31Å; T286-D400 PolarHBondContact OG1-OD1 2.98Å; T286-D400 PolarHBondContact OG1-OD2 2.86Å |
| 401 | K | 92.4 | Very high | 90 | Very high | 128 Ų | 128 | 57.1 Ų | 57.1 | 56% | 0.557 | 26% | 0.259 | S | S | * | . | trans | -102.9 | 134.8 | 170.1 | -63.5 | -165.3 | -179.7 | -177.5 | 0 | 110.4 | N398 K399 I403 | N398-K401 HydrophobicContact CB-CB 4.04Å; N398-K401 HydrophobicContact CB-CD 4.15Å; N398-K401 HydrophobicContact CB-CG 4.32Å; N398-K401 PolarHBondContact O-N 2.88Å; K399-K401 PolarHBondContact O-N 3.11Å; K401-I403 HydrophobicContact CB-CD1 4.43Å | ||
| 402 | R | 93.4 | Very high | 88.8 | Confident | 108 Ų | 108 | 62.3 Ų | 62.3 | 41% | 0.408 | 28% | 0.283 | S | S | . | . | trans | -80.8 | 124.9 | 170.2 | -178.2 | -177.6 | -62.8 | -86 | 3.1 | 109 | S281 M283 E344 E404 | S281-R402 VanDerWaalsContact OG-CG 3.26Å; S281-R402 WeakPolarHBondContact OG-CG 3.47Å; S281-R402 PolarHBondContact OG-NH1 3.31Å; M283-R402 HydrophobicContact CB-CB 4.48Å; E344-R402 IonicContact OE1-CZ 3.47Å; E344-R402 IonicContact OE1-NH1 3.26Å; E344-R402 PolarHBondContact OE1-NH1 2.97Å; E344-R402 IonicContact OE1-NH2 2.64Å; E344-R402 PolarHBondContact OE1-NH2 2.96Å; R402-E404 HydrophobicContact CG-CG 4.3Å | ||
| 403 | I | 92.9 | Very high | 87.1 | Confident | 27 Ų | 27 | 65.3 Ų | 65.3 | 14% | 0.138 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127.8 | 175.1 | -51.4 | -62.9 | 0 | 0 | 0 | 107.5 | S281 L282 H391 E394 K401 | S281-I403 CarbonylContact C-O 3.28Å; S281-I403 WeakPolarHBondContact CA-O 3.32Å; L282-I403 PolarHBondContact N-O 3.06Å; L282-I403 PolarHBondContact O-N 2.97Å; H391-I403 PolarHBondContact NE2-O 3Å; H391-I403 VanDerWaalsContact NE2-O 3.11Å; E394-I403 HydrophobicContact CB-CG1 4.41Å; K401-I403 HydrophobicContact CB-CD1 4.43Å |
| 404 | E | 93.5 | Very high | 85.3 | Confident | 101 Ų | 101 | 62.3 Ų | 62.3 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 134.1 | 175.9 | -56.2 | -167 | 155.3 | 0 | 0 | 109.6 | L279 M280 R402 | L279-E404 HydrophobicContact CD1-CB 4.17Å; M280-E404 CarbonylContact O-C 3.54Å; M280-E404 VanDerWaalsContact O-CA 3.29Å; M280-E404 WeakPolarHBondContact O-CA 3.16Å; R402-E404 HydrophobicContact CG-CG 4.3Å |
| 405 | R | 90.6 | Very high | 83.2 | Confident | 49 Ų | 49 | 62 Ų | 62 | 19% | 0.185 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 147 | 175 | -84.8 | -159.6 | 178 | 87.9 | -3 | 112.8 | M280 E387 H391 E394 H407 | M280-R405 PolarHBondContact N-O 2.73Å; M280-R405 PolarHBondContact O-N 2.78Å; E387-R405 IonicContact OE2-NE 3.91Å; H391-R405 HydrophobicContact CB-CB 4.36Å; E394-R405 IonicContact OE1-CZ 3.38Å; E394-R405 IonicContact OE1-NH1 3.6Å; E394-R405 IonicContact OE1-NH2 3.7Å; E394-R405 PolarHBondContact OE1-NH2 3.12Å; E394-R405 IonicContact OE2-CZ 2.99Å; E394-R405 VanDerWaalsContact OE2-CZ 3.26Å; E394-R405 IonicContact OE2-NH1 3.09Å; E394-R405 PolarHBondContact OE2-NH1 3.45Å; E394-R405 IonicContact OE2-NH2 2.65Å; E394-R405 PolarHBondContact OE2-NH2 2.8Å; R405-H407 PolarHBondContact O-CD2 3.01Å; R405-H407 VanDerWaalsContact O-CD2 3.26Å; R405-H407 PolarHBondContact O-NE2 3.33Å |
| 406 | W | 88.4 | Confident | 80.7 | Confident | 59 Ų | 59 | 67.8 Ų | 67.8 | 22% | 0.223 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 138.9 | 168.7 | -71.9 | 104 | 0 | 0 | 0 | 112 | R277 I278 L279 R297 V299 | R277-W406 HydrophobicContact CB-CE3 3.83Å; R277-W406 HydrophobicContact CB-CZ3 4.24Å; I278-W406 VanDerWaalsContact C-CE3 3.41Å; I278-W406 CarbonylContact O-C 3.52Å; I278-W406 WeakPolarHBondContact O-CA 3.46Å; L279-W406 HydrophobicContact CB-CD2 3.94Å; L279-W406 HydrophobicContact CB-CE3 3.78Å; L279-W406 HydrophobicContact CB-CH2 3.69Å; L279-W406 HydrophobicContact CB-CZ2 3.83Å; L279-W406 HydrophobicContact CB-CZ3 3.65Å; L279-W406 HydrophobicContact CD1-CD2 4.14Å; L279-W406 HydrophobicContact CD1-CG 4.22Å; L279-W406 HydrophobicContact CD2-CZ2 4.04Å; L279-W406 HydrophobicContact CG-CZ2 4.37Å; R297-W406 HydrophobicContact CG-CH2 3.89Å; V299-W406 HydrophobicContact CB-CH2 4.36Å; V299-W406 HydrophobicContact CB-CZ3 4.42Å; V299-W406 HydrophobicContact CG1-CH2 3.7Å; V299-W406 HydrophobicContact CG1-CZ3 4.21Å; V299-W406 HydrophobicContact CG2-CE3 4.3Å; V299-W406 HydrophobicContact CG2-CH2 3.8Å; V299-W406 HydrophobicContact CG2-CZ3 3.58Å |
| 407 | H | 89.5 | Confident | 77.9 | Confident | 4 Ų | 4 | 71.6 Ų | 71.6 | 2% | 0.019 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 133.1 | 171.8 | -62.5 | -75.5 | 0 | 0 | 0 | 109.9 | R277 I278 C378 H391 R405 | R277-H407 CarbonylContact C-O 3.58Å; R277-H407 VanDerWaalsContact CA-O 3.24Å; R277-H407 WeakPolarHBondContact CA-O 3.31Å; I278-H407 HydrophobicContact CG2-CB 4.07Å; I278-H407 PolarHBondContact N-O 2.86Å; I278-H407 PolarHBondContact O-N 2.81Å; C378-H407 HydrophobicContact CB-CB 4.32Å; H391-H407 AromaticContact CE1-NE2 3.74Å; H391-H407 AromaticContact CG-NE2 3.69Å; H391-H407 AromaticContact ND1-CD2 3.93Å; H391-H407 AromaticContact ND1-CE1 3.6Å; H391-H407 AromaticContact ND1-NE2 2.88Å; H391-H407 PolarHBondContact ND1-NE2 3.39Å; R405-H407 PolarHBondContact O-CD2 3.01Å; R405-H407 VanDerWaalsContact O-CD2 3.26Å; R405-H407 PolarHBondContact O-NE2 3.33Å |
| 408 | T | 86.8 | Confident | 75.1 | Confident | 59 Ų | 59 | 76.1 Ų | 76.1 | 36% | 0.362 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 132.6 | 171.9 | -52.8 | 0 | 0 | 0 | 0 | 109.9 | E274 L410 | E274-T408 HydrophobicContact CB-CG2 4Å; E274-T408 HydrophobicContact CG-CG2 3.54Å; T408-L410 HydrophobicContact CG2-CD2 4.24Å |
| 409 | L | 88.4 | Confident | 74.3 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 124 | 175.1 | -61.4 | 172.9 | 0 | 0 | 0 | 109 | R275 G276 I278 L301 V363 | R275-L409 PolarHBondContact N-O 3.32Å; G276-L409 WeakPolarHBondContact O-CB 3.18Å; G276-L409 PolarHBondContact O-N 3.36Å; I278-L409 HydrophobicContact CB-CD2 4.18Å; I278-L409 HydrophobicContact CB-CG 4.46Å; I278-L409 HydrophobicContact CG2-CD2 3.63Å; I278-L409 HydrophobicContact CG2-CG 4.23Å; L301-L409 HydrophobicContact CD2-CD1 3.36Å; V363-L409 HydrophobicContact CB-CD1 4.11Å; V363-L409 HydrophobicContact CG2-CD1 3.6Å; V363-L409 HydrophobicContact CG2-CD2 3.74Å; V363-L409 HydrophobicContact CG2-CG 4.34Å |
| 410 | L | 84.4 | Confident | 73.5 | Confident | 37 Ų | 37 | 76.1 Ų | 76.1 | 19% | 0.194 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 153.7 | 178.7 | -55.6 | 179 | 0 | 0 | 0 | 110.2 | A272 G376 G377 T408 E412 | A272-L410 HydrophobicContact CB-CD1 4.48Å; A272-L410 HydrophobicContact CB-CD2 4.02Å; G376-L410 CarbonylContact C-O 3.58Å; G376-L410 WeakPolarHBondContact CA-O 3.48Å; G377-L410 PolarHBondContact N-O 3.2Å; G377-L410 PolarHBondContact O-N 3.03Å; T408-L410 HydrophobicContact CG2-CD2 4.24Å; L410-E412 PolarHBondContact O-N 3.29Å |
| 411 | N | 78.4 | Confident | 72.5 | Confident | 47 Ų | 47 | 76.7 Ų | 76.7 | 25% | 0.251 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -69.4 | -16 | 176.3 | 65.4 | -5.8 | 0 | 0 | 0 | 113.9 | Y374 N413 | Y374-N411 WeakPolarHBondContact CE1-O 3.49Å; N411-N413 PolarHBondContact O-N 2.79Å |
| 412 | E | 68.8 | Low | 71.3 | Confident | 108 Ų | 108 | 73.6 Ų | 73.6 | 51% | 0.505 | 38% | 0.38 | S | S | . | . | trans | -74.5 | 106.4 | 178.7 | -72.8 | -172 | 170.9 | 0 | 0 | 111.6 | Y374 L410 H414 | Y374-E412 PolarHBondContact OH-O 3.47Å; L410-E412 PolarHBondContact O-N 3.29Å; E412-H414 PolarHBondContact O-N 3.16Å; E412-H414 VanDerWaalsContact O-N 3.1Å; E412-H414 IonicContact OE2-CE1 3.62Å; E412-H414 PolarHBondContact OE2-CE1 3.31Å | ||
| 413 | N | 58.3 | Low | 70 | Confident | 63 Ų | 63 | 71.5 Ų | 71.5 | 34% | 0.337 | 38% | 0.378 | S | S | . | . | trans | -76.7 | 95.1 | 171.7 | -165.2 | 15.4 | 0 | 0 | 0 | 109.9 | Y374 N411 I415 | Y374-N413 HydrophobicContact CD1-CB 4.24Å; Y374-N413 HydrophobicContact CD2-CB 4.27Å; Y374-N413 HydrophobicContact CE1-CB 3.88Å; Y374-N413 HydrophobicContact CE2-CB 3.9Å; Y374-N413 VanDerWaalsContact CE2-OD1 3.28Å; Y374-N413 WeakPolarHBondContact CE2-OD1 3.27Å; Y374-N413 HydrophobicContact CG-CB 4.41Å; Y374-N413 WeakPolarHBondContact OH-CA 3.48Å; N411-N413 PolarHBondContact O-N 2.79Å; N413-I415 PolarHBondContact O-N 3.37Å; N413-I415 VanDerWaalsContact O-N 3.08Å; N413-I415 VanDerWaalsContact OD1-CB 3.3Å; N413-I415 WeakPolarHBondContact OD1-CB 2.82Å; N413-I415 VanDerWaalsContact OD1-CG1 3.31Å; N413-I415 WeakPolarHBondContact OD1-CG1 3.44Å; N413-I415 PolarHBondContact OD1-N 3.11Å | ||
| 414 | H | 53 | Low | 68.4 | Low | 75 Ų | 75 | 74.5 Ų | 74.5 | 35% | 0.347 | 39% | 0.394 | S | S | . | . | trans | -70.6 | 5.5 | 172.4 | -59.7 | -55.2 | 0 | 0 | 0 | 113.6 | K319 E412 V416 | K319-H414 PolarHBondContact NZ-O 3.2Å; E412-H414 PolarHBondContact O-N 3.16Å; E412-H414 VanDerWaalsContact O-N 3.1Å; E412-H414 IonicContact OE2-CE1 3.62Å; E412-H414 PolarHBondContact OE2-CE1 3.31Å; H414-V416 PolarHBondContact O-N 3.04Å; H414-V416 VanDerWaalsContact O-N 3.15Å | ||
| 415 | I | 47.9 | Very low | 66.6 | Low | 50 Ų | 50 | 72.6 Ų | 72.6 | 26% | 0.256 | 39% | 0.388 | S | S | . | . | trans | -83.3 | 86.9 | 169.6 | -51.7 | 174.4 | 0 | 0 | 0 | 107.1 | S362 N413 S417 | S362-I415 WeakPolarHBondContact OG-CD1 3.26Å; N413-I415 PolarHBondContact O-N 3.37Å; N413-I415 VanDerWaalsContact O-N 3.08Å; N413-I415 VanDerWaalsContact OD1-CB 3.3Å; N413-I415 WeakPolarHBondContact OD1-CB 2.82Å; N413-I415 VanDerWaalsContact OD1-CG1 3.31Å; N413-I415 WeakPolarHBondContact OD1-CG1 3.44Å; N413-I415 PolarHBondContact OD1-N 3.11Å; I415-S417 PolarHBondContact O-N 2.78Å; I415-S417 VanDerWaalsContact O-N 3.11Å | ||
| 416 | V | 37.2 | Very low | 64.8 | Low | 122 Ų | 122 | 74.4 Ų | 74.4 | 74% | 0.739 | 40% | 0.404 | S | S | * | . | trans | -54.4 | 117 | 157.2 | -176.9 | 0 | 0 | 0 | 0 | 106.2 | H414 D418 | H414-V416 PolarHBondContact O-N 3.04Å; H414-V416 VanDerWaalsContact O-N 3.15Å; V416-D418 PolarHBondContact O-N 2.89Å | ||
| 417 | S | 31.5 | Very low | 62.8 | Low | 111 Ų | 111 | 75.7 Ų | 75.7 | 78% | 0.776 | 42% | 0.419 | S | S | * | . | trans | -60.5 | 104.5 | 169 | -56.6 | 0 | 0 | 0 | 0 | 107.5 | I415 | I415-S417 PolarHBondContact O-N 2.78Å; I415-S417 VanDerWaalsContact O-N 3.11Å | ||
| 418 | D | 29.8 | Very low | 60.4 | Low | 232 Ų | 232 | 82.2 Ų | 82.2 | 100% | 1.241 | 46% | 0.455 | S | S | * | . | trans | -84.8 | 0 | 155.2 | -101.7 | -23.2 | 0 | 0 | 0 | 108.9 | V416 | V416-D418 PolarHBondContact O-N 2.89Š|
Retrieved 418 of 418 residues in 192.3 ms
(Link to these results)