| 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 | 39.6 | Very low | 44.6 | Very low | 247 Ų | 247 | 179.7 Ų | 179.7 | 100% | 1.217 | 85% | 0.849 | S | S | * | * | 0 | 130.4 | 0 | -72.3 | 163.5 | 165.6 | 0 | 0 | 108.8 | |||||
| 2 | K | 40.5 | Very low | 45.1 | Very low | 210 Ų | 210 | 173.3 Ų | 173.3 | 91% | 0.913 | 84% | 0.839 | S | S | * | * | trans | -92.6 | 126.6 | 177.2 | -67.8 | 176.7 | 177.8 | 177.3 | 0 | 109.2 | ||||
| 3 | K | 46.8 | Very low | 45.4 | Very low | 196 Ų | 196 | 165.8 Ų | 165.8 | 85% | 0.852 | 82% | 0.822 | S | S | * | * | trans | -85.6 | 112.7 | 166.9 | -74 | -173.3 | 176.2 | -177.5 | 0 | 108.8 | ||||
| 4 | R | 46.3 | Very low | 45.1 | Very low | 241 Ų | 241 | 168.6 Ų | 168.6 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 138.9 | 163.1 | -91.3 | -179.8 | 170.6 | 160.4 | -4.4 | 108.1 | ||
| 5 | F | 42.1 | Very low | 45.3 | Very low | 187 Ų | 187 | 165.4 Ų | 165.4 | 82% | 0.82 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 128.1 | 160.9 | -67.9 | -85.6 | 0 | 0 | 0 | 107.9 | ||
| 6 | H | 40.5 | Very low | 45.5 | Very low | 158 Ų | 158 | 167 Ų | 167 | 73% | 0.731 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 133.8 | 169.2 | -162.4 | -95.4 | 0 | 0 | 0 | 107.3 | D8 | H6-D8 IonicContact CE1-OD1 3.33Å; H6-D8 IonicContact CE1-OD2 2.73Å; H6-D8 PolarHBondContact CE1-OD2 3.03Å; H6-D8 IonicContact ND1-OD2 2.72Å; H6-D8 PolarHBondContact ND1-OD2 3.16Å; H6-D8 VanDerWaalsContact ND1-OD2 3.15Å |
| 7 | I | 48.1 | Very low | 45.6 | Very low | 135 Ų | 135 | 168.5 Ų | 168.5 | 69% | 0.692 | 83% | 0.827 | S | S | * | * | trans | -123.7 | 109.9 | 172.8 | -60.1 | 174.9 | 0 | 0 | 0 | 105.2 | ||||
| 8 | D | 42.2 | Very low | 45.9 | Very low | 129 Ų | 129 | 172.6 Ų | 172.6 | 69% | 0.69 | 83% | 0.832 | S | S | * | * | trans | -73 | 139.1 | 168.8 | -86.8 | -68.5 | 0 | 0 | 0 | 109.8 | H6 | H6-D8 IonicContact CE1-OD1 3.33Å; H6-D8 IonicContact CE1-OD2 2.73Å; H6-D8 PolarHBondContact CE1-OD2 3.03Å; H6-D8 IonicContact ND1-OD2 2.72Å; H6-D8 PolarHBondContact ND1-OD2 3.16Å; H6-D8 VanDerWaalsContact ND1-OD2 3.15Å | ||
| 9 | L | 49.9 | Very low | 46.6 | Very low | 160 Ų | 160 | 170.2 Ų | 170.2 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | trans | -122.7 | 31.1 | -172.3 | -98.1 | 167.4 | 0 | 0 | 0 | 112.3 | ||||
| 10 | D | 50.7 | Low | 46.7 | Very low | 166 Ų | 166 | 167.8 Ų | 167.8 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | -110 | 83 | 168.9 | -87.4 | -50.8 | 0 | 0 | 0 | 110.1 | ||||
| 11 | D | 44.3 | Very low | 46.5 | Very low | 148 Ų | 148 | 167.9 Ų | 167.9 | 79% | 0.791 | 83% | 0.83 | S | S | * | * | trans | -124.9 | 115 | 163.3 | -155.4 | -9.7 | 0 | 0 | 0 | 110 | A13 | D11-A13 PolarHBondContact O-N 2.97Š| ||
| 12 | S | 50 | Low | 47.1 | Very low | 103 Ų | 103 | 165.5 Ų | 165.5 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 37.8 | -163.6 | -141.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 13 | A | 48.5 | Very low | 47.5 | Very low | 75 Ų | 75 | 161 Ų | 161 | 62% | 0.62 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -14.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D11 | D11-A13 PolarHBondContact O-N 2.97Š|
| 14 | F | 41.5 | Very low | 47.5 | Very low | 205 Ų | 205 | 161.2 Ų | 161.2 | 90% | 0.899 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -100.8 | -2.6 | -170.3 | -100.9 | -85.8 | 0 | 0 | 0 | 116.3 | ||
| 15 | T | 47.8 | Very low | 47.1 | Very low | 121 Ų | 121 | 158.7 Ų | 158.7 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | -108.1 | 11.6 | -173.2 | 38.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 16 | K | 49.7 | Very low | 47.4 | Very low | 191 Ų | 191 | 158.9 Ų | 158.9 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | trans | -93.2 | 111.3 | 171.6 | -78.1 | -177.2 | 176.9 | 174.1 | 0 | 111.8 | ||||
| 17 | E | 46.4 | Very low | 47.1 | Very low | 192 Ų | 192 | 156.8 Ų | 156.8 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 137.3 | 167 | -88.1 | -172.5 | 128.6 | 0 | 0 | 111.4 | ||
| 18 | R | 50.9 | Low | 46.3 | Very low | 243 Ų | 243 | 158.6 Ų | 158.6 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 120.3 | 171.9 | -91.4 | -175.8 | 172.6 | 176.1 | -1.3 | 110.3 | ||
| 19 | T | 58.5 | Low | 46 | Very low | 127 Ų | 127 | 157.8 Ų | 157.8 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 133.8 | 170.3 | -32 | 0 | 0 | 0 | 0 | 110.5 | ||
| 20 | P | 50 | Low | 45.3 | Very low | 121 Ų | 121 | 160 Ų | 160 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 134.5 | 179.9 | 25.3 | -33.5 | 0 | 0 | 0 | 111.8 | ||
| 21 | L | 41.4 | Very low | 44.3 | Very low | 171 Ų | 171 | 155.5 Ų | 155.5 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 133.2 | 179.8 | -67.4 | 171.9 | 0 | 0 | 0 | 111.2 | ||
| 22 | K | 53.1 | Low | 43.7 | Very low | 196 Ų | 196 | 157.2 Ų | 157.2 | 85% | 0.852 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 126.2 | 179.4 | -167.1 | 174.2 | -174.8 | 176.1 | 0 | 110.2 | Q24 | K22-Q24 PolarHBondContact O-N 2.9Š|
| 23 | P | 49.3 | Very low | 42.9 | Very low | 117 Ų | 117 | 161.1 Ų | 161.1 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -68 | 124.2 | -178.4 | 25.7 | -33.1 | 0 | 0 | 0 | 111.4 | F25 | P23-F25 PolarHBondContact O-N 3.33Š|
| 24 | Q | 46.2 | Very low | 42 | Very low | 199 Ų | 199 | 164.6 Ų | 164.6 | 93% | 0.93 | 84% | 0.837 | S | S | * | * | trans | -98 | 67.4 | -175.8 | -164.9 | 172.9 | 10.7 | 0 | 0 | 110.6 | K22 | K22-Q24 PolarHBondContact O-N 2.9Š| ||
| 25 | F | 38 | Very low | 41.5 | Very low | 189 Ų | 189 | 160.4 Ų | 160.4 | 83% | 0.829 | 83% | 0.828 | S | S | * | * | trans | -133.4 | 109.6 | 175.6 | -149.4 | -96.5 | 0 | 0 | 0 | 110.2 | P23 | P23-F25 PolarHBondContact O-N 3.33Š| ||
| 26 | Q | 47.8 | Very low | 40.6 | Very low | 190 Ų | 190 | 161.4 Ų | 161.4 | 89% | 0.888 | 84% | 0.835 | S | S | * | * | trans | -102.1 | 120.5 | 173.8 | -78 | -179.5 | -29 | 0 | 0 | 109.2 | ||||
| 27 | P | 35.3 | Very low | 39.5 | Very low | 114 Ų | 114 | 156.5 Ų | 156.5 | 74% | 0.74 | 83% | 0.83 | S | S | * | * | trans | -71.3 | 132.9 | 170 | 28.6 | -31.9 | 0 | 0 | 0 | 110.5 | S29 | P27-S29 PolarHBondContact O-N 3.46Š| ||
| 28 | L | 29.9 | Very low | 39.4 | Very low | 174 Ų | 174 | 153.4 Ų | 153.4 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | trans | -73.8 | 106.5 | -176.5 | -176.3 | 71 | 0 | 0 | 0 | 111.4 | ||||
| 29 | S | 37.2 | Very low | 38.3 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -83.5 | 135.1 | 174.9 | 39.3 | 0 | 0 | 0 | 0 | 112.3 | P27 | P27-S29 PolarHBondContact O-N 3.46Š| ||
| 30 | K | 35.7 | Very low | 36.7 | Very low | 208 Ų | 208 | 146.2 Ų | 146.2 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | trans | -90.7 | 131.7 | 173.6 | -77.2 | -176.8 | 174.6 | -179.6 | 0 | 111.5 | ||||
| 31 | G | 28.7 | Very low | 35.8 | Very low | 70 Ų | 70 | 146.3 Ų | 146.3 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | trans | 66.5 | 91.7 | 132.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 32 | Q | 32.3 | Very low | 35.1 | Very low | 185 Ų | 185 | 143.9 Ų | 143.9 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | 25.4 | 121.8 | 135 | -62.7 | 170.7 | -71.7 | 0 | 0 | 121.2 | ||||
| 33 | Q | 32.9 | Very low | 33.7 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | 168.4 | 109.3 | 113.5 | -89.8 | 172 | 61.1 | 0 | 0 | 108.3 | |||||
| 34 | N | 29.8 | Very low | 32.6 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | 87.8 | 123.7 | 80.2 | -102.2 | 14.7 | 0 | 0 | 0 | 116.2 | |||||
| 35 | T | 29.8 | Very low | 31.6 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 72% | 0.718 | 80% | 0.803 | S | S | * | * | trans | 78.6 | 125.5 | 148.7 | 54.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 36 | T | 29.2 | Very low | 31.1 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | trans | 76.5 | 132.2 | 146.8 | 28.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 37 | A | 27.2 | Very low | 30.2 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -104.2 | -176.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 38 | P | 44.3 | Very low | 29.9 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | cis | -138.6 | -163.8 | 5.1 | 42.9 | -23.1 | 0 | 0 | 0 | 115.4 | ||||
| 39 | A | 27.4 | Very low | 29.9 | Very low | 86 Ų | 86 | 134.8 Ų | 134.8 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | 109.3 | 120.6 | 152 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 40 | T | 26 | Very low | 29.5 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | trans | 18.2 | 127 | 145.6 | 50.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 41 | S | 29.9 | Very low | 29.6 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | 169 | 172.9 | 103 | 53.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 42 | T | 26.6 | Very low | 30.3 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | -67.8 | 165.9 | -164.5 | -23.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 43 | T | 25.4 | Very low | 30.8 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 72% | 0.718 | 80% | 0.804 | S | S | * | * | trans | 72.7 | 117.8 | 149.4 | 33.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 44 | E | 26 | Very low | 31.5 | Very low | 175 Ų | 175 | 131.3 Ų | 131.3 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 59.2 | 124.1 | 133.7 | -65.8 | -172.3 | 167.7 | 0 | 0 | 124.5 | ||||
| 45 | S | 25.2 | Very low | 32.7 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | 95.5 | 153.1 | 135.8 | 80.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 46 | V | 26.4 | Very low | 33.6 | Very low | 125 Ų | 125 | 131 Ų | 131 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | trans | 85.3 | 95.6 | 168.7 | -165.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 47 | T | 30.1 | Very low | 34.5 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 14.4 | 128.3 | 147.3 | 46.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 48 | K | 27.9 | Very low | 35.4 | Very low | 210 Ų | 210 | 127.1 Ų | 127.1 | 91% | 0.913 | 76% | 0.76 | S | S | * | * | trans | -155.3 | 146.5 | 137 | -115 | 163.1 | -169.3 | 171.7 | 0 | 113.1 | ||||
| 49 | S | 29.4 | Very low | 35.9 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | trans | -83.5 | 142.7 | -179 | 44 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 50 | S | 30.5 | Very low | 37 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | -155 | 111.3 | 148.4 | 50.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 51 | A | 37.6 | Very low | 38.3 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 131.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 52 | Q | 42.4 | Very low | 39 | Very low | 178 Ų | 178 | 130.1 Ų | 130.1 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 147.4 | 162.6 | -68.2 | -162.7 | -20.3 | 0 | 0 | 109.6 | L54 | Q52-L54 PolarHBondContact O-N 3.4Š|
| 53 | P | 42 | Very low | 39.9 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 123.6 | -179.1 | 27.2 | -33.4 | 0 | 0 | 0 | 110.6 | ||
| 54 | L | 48.2 | Very low | 40.9 | Very low | 157 Ų | 157 | 131.9 Ų | 131.9 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 149.7 | 178.4 | -74.5 | 166.6 | 0 | 0 | 0 | 112 | Q52 | Q52-L54 PolarHBondContact O-N 3.4Š|
| 55 | S | 55.1 | Low | 41.8 | Very low | 74 Ų | 74 | 128.6 Ų | 128.6 | 52% | 0.517 | 72% | 0.718 | S | S | . | * | P | Polyproline II helix | trans | -68.9 | 142.4 | 176.6 | -175.8 | 0 | 0 | 0 | 0 | 111 | A57 D58 | S55-A57 PolarHBondContact O-N 3.36Å; S55-D58 PolarHBondContact O-N 2.99Å |
| 56 | Y | 49.9 | Very low | 42.2 | Very low | 185 Ų | 185 | 129.2 Ų | 129.2 | 73% | 0.725 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -56.3 | -25.1 | 177.1 | -177.1 | -104 | 0 | 0 | 0 | 113.2 | D58 I60 | Y56-D58 VanDerWaalsContact C-N 3.34Å; Y56-D58 PolarHBondContact O-N 3.23Å; Y56-I60 HydrophobicContact CD1-CD1 4.33Å; Y56-I60 HydrophobicContact CE1-CD1 3.66Å |
| 57 | A | 46.9 | Very low | 42.5 | Very low | 61 Ų | 61 | 129.8 Ų | 129.8 | 50% | 0.504 | 72% | 0.722 | S | S | . | * | H | α-helix | trans | -63 | -35.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S55 | S55-A57 PolarHBondContact O-N 3.36Å |
| 58 | D | 46.7 | Very low | 42.6 | Very low | 87 Ų | 87 | 128.1 Ų | 128.1 | 47% | 0.465 | 72% | 0.721 | S | S | . | * | H | α-helix | trans | -76.9 | -28.9 | -174.5 | -61 | -49.3 | 0 | 0 | 0 | 112.4 | S55 Y56 I60 V61 | S55-D58 PolarHBondContact O-N 2.99Å; Y56-D58 VanDerWaalsContact C-N 3.34Å; Y56-D58 PolarHBondContact O-N 3.23Å; D58-I60 PolarHBondContact O-N 3.41Å; D58-V61 PolarHBondContact O-N 3.14Å |
| 59 | Y | 54.9 | Low | 42.7 | Very low | 177 Ų | 177 | 123 Ų | 123 | 69% | 0.694 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -67.4 | -36.5 | 179.9 | -168.3 | -97.5 | 0 | 0 | 0 | 112.8 | V61 | Y59-V61 VanDerWaalsContact C-N 3.29Å; Y59-V61 PolarHBondContact O-N 3.45Å |
| 60 | I | 50.9 | Low | 42.9 | Very low | 91 Ų | 91 | 121.8 Ų | 121.8 | 47% | 0.467 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -72.1 | -24.6 | -177.5 | -66.3 | -174.7 | 0 | 0 | 0 | 111.8 | Y56 D58 S63 | Y56-I60 HydrophobicContact CD1-CD1 4.33Å; Y56-I60 HydrophobicContact CE1-CD1 3.66Å; D58-I60 PolarHBondContact O-N 3.41Å; I60-S63 PolarHBondContact O-OG 2.9Å |
| 61 | V | 53.2 | Low | 43.2 | Very low | 107 Ų | 107 | 122.2 Ų | 122.2 | 65% | 0.648 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -80.8 | -34.1 | -178.6 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | D58 Y59 | D58-V61 PolarHBondContact O-N 3.14Å; Y59-V61 VanDerWaalsContact C-N 3.29Å; Y59-V61 PolarHBondContact O-N 3.45Å |
| 62 | Q | 43.5 | Very low | 42.9 | Very low | 156 Ų | 156 | 125.9 Ų | 125.9 | 73% | 0.729 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -76.4 | -23.8 | -179.2 | -78.1 | -178.3 | -10.8 | 0 | 0 | 114.6 | K64 | Q62-K64 PolarHBondContact O-N 3.44Å; Q62-K64 VanDerWaalsContact O-N 3.09Å |
| 63 | S | 45.5 | Very low | 42.2 | Very low | 89 Ų | 89 | 127.5 Ų | 127.5 | 62% | 0.622 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 3.4 | -176.5 | 64 | 0 | 0 | 0 | 0 | 115.8 | I60 | I60-S63 PolarHBondContact O-OG 2.9Š|
| 64 | K | 45.9 | Very low | 41.4 | Very low | 185 Ų | 185 | 127.6 Ų | 127.6 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 4 | 179.9 | -73 | -172 | 174.9 | -179 | 0 | 115.3 | Q62 | Q62-K64 PolarHBondContact O-N 3.44Å; Q62-K64 VanDerWaalsContact O-N 3.09Å |
| 65 | T | 45.3 | Very low | 40.4 | Very low | 106 Ų | 106 | 124.4 Ų | 124.4 | 65% | 0.65 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -137.2 | 65.7 | -176.9 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 66 | T | 33.4 | Very low | 39 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | trans | -163.4 | 149.9 | 157.8 | -79.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 67 | T | 32.9 | Very low | 38 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 84% | 0.84 | 72% | 0.718 | S | S | * | * | trans | 63 | 130 | -179 | 40.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 68 | A | 32.2 | Very low | 37.2 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | cis | 170.7 | 148.9 | -45.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 69 | A | 31 | Very low | 36.3 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | trans | 9.8 | 134.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 70 | A | 32.4 | Very low | 35 | Very low | 95 Ų | 95 | 134.1 Ų | 134.1 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -78.4 | 167.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 71 | P | 36.8 | Very low | 33.8 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | -137.2 | 169.2 | 123.8 | 36.1 | -23.8 | 0 | 0 | 0 | 115.2 | |||||
| 72 | Q | 31.2 | Very low | 32.5 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -85.3 | 154.7 | -177.6 | -56.8 | 175.5 | -51.8 | 0 | 0 | 113.7 | ||||
| 73 | R | 28.1 | Very low | 31.7 | Very low | 212 Ų | 212 | 142 Ų | 142 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | 174 | 144.5 | 103.9 | -98.4 | -175.9 | 177.3 | 171.4 | 1.3 | 115.9 | |||||
| 74 | D | 25.6 | Very low | 30.7 | Very low | 132 Ų | 132 | 141 Ų | 141 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | 53.2 | 115.3 | 141.3 | -52.3 | -28.4 | 0 | 0 | 0 | 124.1 | ||||
| 75 | A | 27.3 | Very low | 29.8 | Very low | 89 Ų | 89 | 137.5 Ų | 137.5 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | 45.4 | 126.6 | 132.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 76 | Y | 24.5 | Very low | 28.8 | Very low | 238 Ų | 238 | 135.8 Ų | 135.8 | 93% | 0.933 | 80% | 0.796 | S | S | * | * | -164.6 | 167.8 | 109.6 | -119.4 | -92 | 0 | 0 | 0 | 111.2 | |||||
| 77 | S | 29.8 | Very low | 28.5 | Very low | 91 Ų | 91 | 137.6 Ų | 137.6 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | trans | -135.4 | 163.4 | -168.9 | 68.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 78 | K | 30.2 | Very low | 28.2 | Very low | 189 Ų | 189 | 137 Ų | 137 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | 73.8 | 155.8 | 169.7 | -66.1 | 175.6 | 170.6 | -179.7 | 0 | 115.5 | ||||
| 79 | L | 27.7 | Very low | 27.9 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | cis | -156.2 | 141.5 | 15.2 | -157.5 | 84.6 | 0 | 0 | 0 | 113.4 | ||||
| 80 | V | 27.4 | Very low | 27.7 | Very low | 128 Ų | 128 | 141 Ų | 141 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | 37.9 | 128.9 | 141.1 | 173.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 81 | R | 25.3 | Very low | 27.4 | Very low | 238 Ų | 238 | 144.9 Ų | 144.9 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | -159.8 | 151.3 | 109 | -159.2 | 160.8 | -177.8 | 125.8 | -0.3 | 112.7 | |||||
| 82 | A | 27.1 | Very low | 27.2 | Very low | 86 Ų | 86 | 144 Ų | 144 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -128 | 149.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 83 | E | 26.1 | Very low | 26.9 | Very low | 195 Ų | 195 | 141.9 Ų | 141.9 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | -168.8 | 157.9 | 148.5 | -67.6 | -148.9 | 147.1 | 0 | 0 | 105.9 | ||||
| 84 | G | 25 | Very low | 26.7 | Very low | 68 Ų | 68 | 140 Ų | 140 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | cis | 161.6 | 134.2 | -3.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 85 | A | 26.4 | Very low | 26.5 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 93% | 0.934 | 81% | 0.805 | S | S | * | * | trans | 62.6 | 156.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 86 | G | 24.2 | Very low | 26.4 | Very low | 70 Ų | 70 | 141.8 Ų | 141.8 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | cis | 134.8 | 146.8 | 1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 87 | I | 27.3 | Very low | 26.5 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | cis | -155.3 | 134.5 | -3.8 | -63.6 | 164.9 | 0 | 0 | 0 | 108 | ||||
| 88 | S | 27.5 | Very low | 26.2 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | 173.2 | 128.4 | 142.7 | -85.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 89 | S | 24.6 | Very low | 26.1 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -112.9 | 152 | 165.2 | 167.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 90 | L | 26.4 | Very low | 26 | Very low | 167 Ų | 167 | 141.7 Ų | 141.7 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -158.4 | 105.8 | 150.5 | -101.5 | 179.2 | 0 | 0 | 0 | 111.4 | ||||
| 91 | Q | 27.4 | Very low | 26 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | trans | -108.3 | 156.1 | 143.8 | -84.3 | -169.8 | -22.9 | 0 | 0 | 107.8 | ||||
| 92 | P | 31.8 | Very low | 26 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | -141.6 | 177 | 117 | 37 | -20.7 | 0 | 0 | 0 | 111.1 | |||||
| 93 | V | 25.4 | Very low | 26 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | cis | -150.3 | 148.9 | 30.5 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 94 | E | 23.8 | Very low | 26 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -96.1 | 158.8 | 169.3 | -63.2 | -174.4 | 134.8 | 0 | 0 | 113 | ||||
| 95 | T | 22.2 | Very low | 26 | Very low | 140 Ų | 140 | 139.1 Ų | 139.1 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | trans | -136.8 | 95.8 | 153.5 | -52.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 96 | V | 24.8 | Very low | 26 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 72% | 0.715 | 81% | 0.81 | S | S | * | * | trans | -0.7 | 129.8 | 147.7 | 177.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 97 | S | 25.3 | Very low | 26.2 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 72% | 0.72 | 82% | 0.82 | S | S | * | * | -163.4 | 115.4 | 112.7 | -140.5 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 98 | T | 25.5 | Very low | 26.1 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | 42.5 | 140.6 | 146.7 | 49.7 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 99 | R | 26.1 | Very low | 26.1 | Very low | 242 Ų | 242 | 144.3 Ų | 144.3 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | trans | -103.2 | 156.7 | -177.9 | -45.2 | 163 | -176.2 | 168.8 | -0.6 | 111.4 | ||||
| 100 | I | 26.1 | Very low | 26.2 | Very low | 180 Ų | 180 | 145.1 Ų | 145.1 | 92% | 0.923 | 81% | 0.81 | S | S | * | * | trans | -137.5 | 145.8 | 135.4 | -67.2 | -168.1 | 0 | 0 | 0 | 108.6 | ||||
| 101 | L | 28 | Very low | 26.2 | Very low | 166 Ų | 166 | 147.2 Ų | 147.2 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | -113.7 | 145.8 | -177.1 | 178.1 | 74.1 | 0 | 0 | 0 | 109.5 | ||||
| 102 | G | 24.8 | Very low | 26.1 | Very low | 75 Ų | 75 | 142.1 Ų | 142.1 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -177.9 | 131.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 103 | S | 28.1 | Very low | 25.8 | Very low | 107 Ų | 107 | 142.7 Ų | 142.7 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | -98.5 | 163.7 | -164.6 | -54.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 104 | E | 25 | Very low | 25.8 | Very low | 183 Ų | 183 | 145 Ų | 145 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -2.6 | 136.3 | 149.9 | -54.6 | 170.9 | 130 | 0 | 0 | 119.2 | ||||
| 105 | T | 24.5 | Very low | 25.9 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | 177.4 | 129.4 | 112.3 | -68.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 106 | V | 26.7 | Very low | 26.1 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | -4.4 | 129.4 | 153.9 | -169.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 107 | Q | 30.1 | Very low | 26.7 | Very low | 197 Ų | 197 | 144.4 Ų | 144.4 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | -172 | 178.1 | 123.2 | -106.6 | 179.3 | -4.1 | 0 | 0 | 114.9 | |||||
| 108 | D | 25.2 | Very low | 26.7 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -116.6 | 175.4 | -141.8 | -164 | 7.9 | 0 | 0 | 0 | 115.7 | ||||
| 109 | C | 26 | Very low | 26.6 | Very low | 105 Ų | 105 | 147.6 Ų | 147.6 | 71% | 0.709 | 81% | 0.808 | S | S | * | * | trans | 89.4 | 91.4 | 149.9 | -118.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 110 | V | 27.5 | Very low | 26.7 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | 30.1 | 118.8 | 116.3 | -172.5 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 111 | K | 26.4 | Very low | 26.9 | Very low | 211 Ų | 211 | 142 Ų | 142 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | trans | 148.5 | 152.5 | 138.7 | -100.3 | 177.3 | 176.3 | 176.9 | 0 | 109.4 | ||||
| 112 | G | 25.2 | Very low | 26.9 | Very low | 70 Ų | 70 | 144.4 Ų | 144.4 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | cis | 176.9 | 155.4 | -1.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 113 | T | 26.3 | Very low | 26.9 | Very low | 125 Ų | 125 | 147.2 Ų | 147.2 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | trans | -105.7 | 144.7 | -163.1 | -54.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 114 | E | 24.6 | Very low | 27 | Very low | 181 Ų | 181 | 149.9 Ų | 149.9 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | 61.4 | 159.6 | 161.8 | -76 | 170.7 | 129.2 | 0 | 0 | 118.4 | ||||
| 115 | V | 26.3 | Very low | 27.2 | Very low | 136 Ų | 136 | 147.9 Ų | 147.9 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | cis | -139.2 | 166.6 | 14.3 | -169.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 116 | Q | 25.1 | Very low | 27.4 | Very low | 169 Ų | 169 | 149.5 Ų | 149.5 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -74.7 | -176.6 | 166.8 | -50.3 | -177.9 | 28.1 | 0 | 0 | 113.3 | ||||
| 117 | P | 37.5 | Very low | 27.5 | Very low | 115 Ų | 115 | 152.1 Ų | 152.1 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | -151.3 | 158.9 | 81.1 | 35.2 | -13.7 | 0 | 0 | 0 | 119.4 | |||||
| 118 | E | 25.6 | Very low | 27.2 | Very low | 168 Ų | 168 | 151 Ų | 151 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | 59.2 | 132.4 | 142.6 | -61.9 | -80.7 | 125.5 | 0 | 0 | 122.6 | ||||
| 119 | D | 24.5 | Very low | 27.1 | Very low | 135 Ų | 135 | 150.1 Ų | 150.1 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | -177 | 169.4 | 95.3 | -141.7 | -38.6 | 0 | 0 | 0 | 113.7 | |||||
| 120 | V | 28.2 | Very low | 27.2 | Very low | 120 Ų | 120 | 149.8 Ų | 149.8 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | 96.5 | 88.6 | 166.1 | -164.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 121 | K | 29.6 | Very low | 27.2 | Very low | 184 Ų | 184 | 147.5 Ų | 147.5 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | 34 | 145.8 | 120.9 | -59.7 | 169.8 | -178.8 | 162.6 | 0 | 119.8 | |||||
| 122 | R | 27.2 | Very low | 27.2 | Very low | 216 Ų | 216 | 146.5 Ų | 146.5 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | cis | -165.2 | 147.1 | 28.3 | -156.8 | 175.2 | -172.9 | 166.9 | 1.8 | 113.5 | ||||
| 123 | N | 25.4 | Very low | 27.2 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | 18.1 | 138 | 155.2 | -53 | 14 | 0 | 0 | 0 | 122.9 | ||||
| 124 | D | 31 | Very low | 27.2 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | -152.3 | 167.7 | 109.8 | -130.7 | -39.5 | 0 | 0 | 0 | 112.7 | |||||
| 125 | E | 29.5 | Very low | 27.4 | Very low | 140 Ų | 140 | 145.7 Ų | 145.7 | 65% | 0.654 | 78% | 0.775 | S | S | * | * | trans | -97.6 | 149.5 | -158.7 | -67.9 | -166 | 88.3 | 0 | 0 | 119.3 | ||||
| 126 | K | 27.7 | Very low | 27.5 | Very low | 165 Ų | 165 | 144.7 Ų | 144.7 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | trans | 29.4 | 131.5 | 141.2 | -60.5 | 167.6 | -176.3 | 146.3 | 0 | 121.4 | ||||
| 127 | H | 27.8 | Very low | 27.8 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | -168.8 | 150.9 | 91.7 | -129.3 | -86.7 | 0 | 0 | 0 | 113.9 | |||||
| 128 | E | 25.4 | Very low | 27.4 | Very low | 172 Ų | 172 | 147.7 Ų | 147.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -103.5 | 176.6 | 176.8 | -72.1 | -177.7 | 113.4 | 0 | 0 | 113.7 | ||||
| 129 | T | 23.3 | Very low | 27.6 | Very low | 132 Ų | 132 | 144.5 Ų | 144.5 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | 100 | 118.7 | 167.4 | 65.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 130 | A | 26.7 | Very low | 28.1 | Very low | 97 Ų | 97 | 145.1 Ų | 145.1 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | 71.4 | 132.9 | 56.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 131 | A | 27.1 | Very low | 28.5 | Very low | 81 Ų | 81 | 144.6 Ų | 144.6 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | cis | -163.2 | 177.3 | -5.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 132 | E | 26.5 | Very low | 28.6 | Very low | 190 Ų | 190 | 141.3 Ų | 141.3 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | 67.2 | 153.2 | 154.9 | -78.4 | 164.1 | -141.8 | 0 | 0 | 119 | ||||
| 133 | D | 25.6 | Very low | 28.9 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | cis | -159 | 160.6 | -8.3 | -176.2 | 27 | 0 | 0 | 0 | 111.9 | ||||
| 134 | S | 27.4 | Very low | 29.7 | Very low | 91 Ų | 91 | 138.2 Ų | 138.2 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | trans | 62.4 | 123.4 | 153.1 | 80.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 135 | S | 27.1 | Very low | 30.1 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | 167.5 | 163.7 | 108.4 | 54.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 136 | S | 28.6 | Very low | 30.8 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -124 | 158.1 | -160.6 | 57 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 137 | L | 31.2 | Very low | 32.4 | Very low | 162 Ų | 162 | 127.7 Ų | 127.7 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | trans | -167.8 | 148.2 | 143.2 | -102.6 | 169 | 0 | 0 | 0 | 113.7 | ||||
| 138 | K | 30.9 | Very low | 33.4 | Very low | 186 Ų | 186 | 126.7 Ų | 126.7 | 81% | 0.809 | 74% | 0.738 | S | S | * | * | trans | -64.6 | 172 | -177.3 | -56.1 | 152.4 | -177.3 | 174.6 | 0 | 112.7 | ||||
| 139 | S | 29.5 | Very low | 34.6 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | cis | -161 | 166.7 | -0.6 | 29.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 140 | D | 33.8 | Very low | 35.9 | Very low | 149 Ų | 149 | 121.6 Ų | 121.6 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | 179.9 | -177.3 | 76.4 | -126.4 | -1.6 | 0 | 0 | 0 | 111.2 | |||||
| 141 | P | 36.8 | Very low | 37.3 | Very low | 109 Ų | 109 | 118.7 Ų | 118.7 | 71% | 0.708 | 70% | 0.7 | S | S | * | * | trans | -80.4 | 139.9 | -140.3 | 31.9 | -38.6 | 0 | 0 | 0 | 116.5 | V143 | P141-V143 PolarHBondContact O-N 3.35Š| ||
| 142 | S | 31.5 | Very low | 38.7 | Very low | 115 Ų | 115 | 118.6 Ų | 118.6 | 80% | 0.804 | 69% | 0.694 | S | S | * | * | trans | -65.5 | 113.5 | 169.7 | 52.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 143 | V | 34.6 | Very low | 40.7 | Very low | 119 Ų | 119 | 112 Ų | 112 | 72% | 0.721 | 68% | 0.678 | S | S | * | * | trans | -45 | 136.6 | 161 | 174 | 0 | 0 | 0 | 0 | 110.1 | P141 Q145 | P141-V143 PolarHBondContact O-N 3.35Å; V143-Q145 VanDerWaalsContact C-N 3.31Å; V143-Q145 PolarHBondContact O-N 3.48Å | ||
| 144 | I | 42.7 | Very low | 43.4 | Very low | 166 Ų | 166 | 108.8 Ų | 108.8 | 85% | 0.851 | 67% | 0.666 | S | S | * | * | trans | -64.2 | 93.2 | 173.5 | -58.8 | 173.9 | 0 | 0 | 0 | 108.2 | G146 | I144-G146 PolarHBondContact O-N 3.11Š| ||
| 145 | Q | 37.9 | Very low | 46.5 | Very low | 154 Ų | 154 | 104.9 Ų | 104.9 | 72% | 0.72 | 64% | 0.639 | S | S | * | * | trans | -72.3 | 112.8 | 169.4 | -68.3 | -175.1 | 0.4 | 0 | 0 | 107.6 | V143 | V143-Q145 VanDerWaalsContact C-N 3.31Å; V143-Q145 PolarHBondContact O-N 3.48Å | ||
| 146 | G | 45 | Very low | 49.7 | Very low | 49 Ų | 49 | 99 Ų | 99 | 51% | 0.505 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 158.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I144 K148 | I144-G146 PolarHBondContact O-N 3.11Å; G146-K148 PolarHBondContact O-N 3.12Å |
| 147 | P | 60.1 | Low | 52.9 | Low | 44 Ų | 44 | 93.9 Ų | 93.9 | 29% | 0.286 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 127 | -175.4 | 21.7 | -32.7 | 0 | 0 | 0 | 110.6 | Q189 T218 F219 | P147-Q189 PolarHBondContact O-NE2 3.01Å; P147-T218 HydrophobicContact CB-CG2 4.4Å; P147-T218 HydrophobicContact CG-CG2 4.11Å; P147-F219 HydrophobicContact CG-CE1 4.02Å; P147-F219 HydrophobicContact CG-CZ 4.16Å |
| 148 | K | 50.8 | Low | 56.1 | Low | 163 Ų | 163 | 86.2 Ų | 86.2 | 71% | 0.709 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -50.8 | 141.3 | 177.4 | -72.4 | 177.9 | 177.9 | 175.3 | 0 | 109.4 | G146 V150 | G146-K148 PolarHBondContact O-N 3.12Å; K148-V150 PolarHBondContact O-N 3.14Å |
| 149 | P | 49.2 | Very low | 59.2 | Low | 107 Ų | 107 | 77.5 Ų | 77.5 | 70% | 0.695 | 48% | 0.483 | S | S | * | . | trans | -66.3 | 97.4 | 178 | 27.1 | -33.9 | 0 | 0 | 0 | 109.5 | ||||
| 150 | V | 52.1 | Low | 62.4 | Low | 89 Ų | 89 | 74.6 Ų | 74.6 | 54% | 0.539 | 46% | 0.462 | S | S | . | . | trans | -87.3 | 120.2 | 169.5 | -177.9 | 0 | 0 | 0 | 0 | 106.9 | K148 I157 | K148-V150 PolarHBondContact O-N 3.14Å; V150-I157 WeakPolarHBondContact O-CD1 3.4Å; V150-I157 VanDerWaalsContact O-CG1 3.28Å; V150-I157 WeakPolarHBondContact O-CG1 3.44Å | ||
| 151 | G | 54.8 | Low | 65.2 | Low | 36 Ų | 36 | 73.5 Ų | 73.5 | 37% | 0.371 | 45% | 0.447 | S | S | . | . | S | Bend | trans | 98.7 | 165.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | E177 | G151-E177 WeakPolarHBondContact CA-OE1 3.5Š|
| 152 | S | 56.9 | Low | 68 | Low | 79 Ų | 79 | 69 Ų | 69 | 55% | 0.552 | 42% | 0.416 | S | S | * | . | trans | -66.4 | 134.1 | 175.9 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | S154 S155 E177 | S152-S154 PolarHBondContact O-N 3.21Å; S152-S155 PolarHBondContact O-N 3.19Å; S152-S155 PolarHBondContact O-OG 3.4Å; S152-E177 PolarHBondContact N-OE1 3.19Å | ||
| 153 | G | 68.8 | Low | 71 | Confident | 52 Ų | 52 | 70.9 Ų | 70.9 | 54% | 0.536 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -5.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | K268 | G153-K268 PolarHBondContact O-NZ 2.75Š|
| 154 | S | 81.7 | Confident | 73.7 | Confident | 72 Ų | 72 | 69 Ų | 69 | 50% | 0.503 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -7.9 | 174.6 | 51.9 | 0 | 0 | 0 | 0 | 115.4 | S152 K268 | S152-S154 PolarHBondContact O-N 3.21Å; S154-K268 VanDerWaalsContact C-CE 3.4Å; S154-K268 WeakPolarHBondContact O-CE 3.29Å |
| 155 | S | 91.9 | Very high | 76.1 | Confident | 10 Ų | 10 | 62 Ų | 62 | 7% | 0.07 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -88.7 | 160.2 | -179.8 | 63.4 | 0 | 0 | 0 | 0 | 113.6 | S152 P175 E177 K268 | S152-S155 PolarHBondContact O-N 3.19Å; S152-S155 PolarHBondContact O-OG 3.4Å; S155-P175 CarbonylContact C-O 3.54Å; S155-P175 VanDerWaalsContact CA-O 3.24Å; S155-P175 WeakPolarHBondContact CA-O 2.97Å; S155-E177 WeakPolarHBondContact CB-OE1 3.41Å; S155-E177 PolarHBondContact OG-OE1 2.89Å; S155-K268 WeakPolarHBondContact O-CE 3.19Å; S155-K268 PolarHBondContact O-NZ 3.26Å |
| 156 | I | 95.3 | Very high | 78.8 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.015 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 129 | 163.1 | -63.6 | 171.7 | 0 | 0 | 0 | 108 | V158 V171 V174 P175 W176 E177 Y185 L187 L264 K268 | I156-V158 HydrophobicContact CG2-CG2 4.3Å; I156-V171 HydrophobicContact CD1-CG1 4.18Å; I156-V174 HydrophobicContact CD1-CB 4.34Å; I156-V174 HydrophobicContact CD1-CG1 3.84Å; I156-V174 HydrophobicContact CG1-CG1 3.82Å; I156-P175 PolarHBondContact N-O 3Å; I156-W176 HydrophobicContact CB-CB 4.05Å; I156-W176 WeakPolarHBondContact O-CA 3.45Å; I156-W176 WeakPolarHBondContact O-CB 3.11Å; I156-E177 PolarHBondContact O-N 2.97Å; I156-Y185 HydrophobicContact CG2-CD1 4.2Å; I156-L187 HydrophobicContact CD1-CD2 3.95Å; I156-L187 HydrophobicContact CG1-CD2 4.08Å; I156-L187 HydrophobicContact CG2-CD2 4.08Å; I156-L264 HydrophobicContact CD1-CB 4.29Å; I156-K268 HydrophobicContact CD1-CB 3.99Å; I156-K268 HydrophobicContact CD1-CG 4.49Å; I156-K268 HydrophobicContact CG1-CB 3.82Å; I156-K268 HydrophobicContact CG1-CD 4.41Å; I156-K268 HydrophobicContact CG1-CG 3.87Å |
| 157 | I | 95.9 | Very high | 81.2 | Confident | 8 Ų | 8 | 55 Ų | 55 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 122.5 | 175.4 | -40.1 | -56.3 | 0 | 0 | 0 | 108.8 | V150 E177 V181 Y185 V186 | V150-I157 WeakPolarHBondContact O-CD1 3.4Å; V150-I157 VanDerWaalsContact O-CG1 3.28Å; V150-I157 WeakPolarHBondContact O-CG1 3.44Å; I157-E177 HydrophobicContact CD1-CG 3.65Å; I157-E177 WeakPolarHBondContact CD1-OE1 3.46Å; I157-V181 HydrophobicContact CG2-CG1 3.85Å; I157-V181 HydrophobicContact CG2-CG2 4.43Å; I157-Y185 CarbonylContact O-C 3.56Å; I157-Y185 WeakPolarHBondContact O-CA 3.41Å; I157-V186 HydrophobicContact CB-CB 4.02Å; I157-V186 HydrophobicContact CB-CG2 4.41Å; I157-V186 HydrophobicContact CG1-CB 4.26Å; I157-V186 PolarHBondContact N-O 3Å; I157-V186 VanDerWaalsContact N-O 3.11Å; I157-V186 PolarHBondContact O-N 3.36Å |
| 158 | V | 97.2 | Very high | 82.8 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 130.2 | -176.4 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | I156 Q162 L168 W176 E177 F178 G179 Y185 | I156-V158 HydrophobicContact CG2-CG2 4.3Å; V158-Q162 HydrophobicContact CG1-CB 3.83Å; V158-L168 HydrophobicContact CG1-CD1 4.27Å; V158-L168 HydrophobicContact CG1-CD2 3.98Å; V158-L168 HydrophobicContact CG2-CD2 3.96Å; V158-W176 HydrophobicContact CB-CE3 4.38Å; V158-W176 HydrophobicContact CG2-CB 3.97Å; V158-W176 HydrophobicContact CG2-CD2 4.2Å; V158-W176 HydrophobicContact CG2-CE3 3.8Å; V158-W176 HydrophobicContact CG2-CG 4.3Å; V158-E177 PolarHBondContact N-O 3.4Å; V158-F178 HydrophobicContact CB-CD1 4.06Å; V158-F178 HydrophobicContact CB-CE1 4.22Å; V158-F178 HydrophobicContact CG1-CD1 4.02Å; V158-F178 HydrophobicContact CG1-CE1 3.75Å; V158-F178 WeakPolarHBondContact O-CA 3.3Å; V158-G179 PolarHBondContact O-N 3.42Å; V158-G179 VanDerWaalsContact O-N 3.1Å; V158-Y185 HydrophobicContact CG1-CD1 4.36Å; V158-Y185 HydrophobicContact CG1-CE1 3.99Å; V158-Y185 HydrophobicContact CG2-CD1 4.05Å; V158-Y185 HydrophobicContact CG2-CE1 4.12Å |
| 159 | S | 96.8 | Very high | 84.9 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | trans | -65.2 | 138.7 | 173.7 | -173 | 0 | 0 | 0 | 0 | 110.8 | R161 Q162 V181 P183 D184 | S159-R161 PolarHBondContact O-N 2.99Å; S159-Q162 PolarHBondContact O-N 3.33Å; S159-V181 PolarHBondContact OG-O 3.39Å; S159-P183 WeakPolarHBondContact CB-O 3.47Å; S159-D184 PolarHBondContact N-O 3.17Å | ||
| 160 | P | 96.1 | Very high | 87.1 | Confident | 39 Ų | 39 | 51.2 Ų | 51.2 | 25% | 0.253 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -45.2 | -27.4 | 167.5 | -34.4 | 37.1 | 0 | 0 | 0 | 114.8 | Q162 R163 G179 | P160-Q162 PolarHBondContact O-N 3.08Å; P160-R163 WeakPolarHBondContact O-CB 3.32Å; P160-R163 WeakPolarHBondContact O-CD 3.41Å; P160-R163 VanDerWaalsContact O-CG 3.24Å; P160-R163 WeakPolarHBondContact O-CG 3.38Å; P160-R163 PolarHBondContact O-N 3.4Å; P160-G179 WeakPolarHBondContact CD-O 3.33Å |
| 161 | R | 93.6 | Very high | 89.1 | Confident | 125 Ų | 125 | 47.5 Ų | 47.5 | 47% | 0.472 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -65.8 | -20.3 | 177.8 | -56.4 | 176.9 | 73.3 | -101.2 | -2.1 | 113.7 | S159 D184 Y207 R211 | S159-R161 PolarHBondContact O-N 2.99Å; R161-D184 IonicContact NH1-OD1 2.77Å; R161-D184 PolarHBondContact NH1-OD1 2.89Å; R161-Y207 PolarHBondContact NH1-OH 3.38Å; R161-Y207 PolarHBondContact NH2-OH 2.56Å; R161-R211 VanDerWaalsContact NH1-CZ 3.34Å |
| 162 | Q | 95.3 | Very high | 91 | Very high | 15 Ų | 15 | 54.9 Ų | 54.9 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -94.8 | 8.5 | 178.6 | -60.4 | -58.4 | -36.3 | 0 | 0 | 113.4 | V158 S159 P160 G164 N165 L168 D184 Y185 | V158-Q162 HydrophobicContact CG1-CB 3.83Å; S159-Q162 PolarHBondContact O-N 3.33Å; P160-Q162 PolarHBondContact O-N 3.08Å; Q162-G164 PolarHBondContact O-N 3.2Å; Q162-N165 HydrophobicContact CB-CB 4.44Å; Q162-N165 WeakPolarHBondContact O-CB 3.39Å; Q162-N165 PolarHBondContact O-N 3.25Å; Q162-N165 PolarHBondContact OE1-ND2 3.1Å; Q162-L168 WeakPolarHBondContact O-CD1 3.29Å; Q162-D184 HydrophobicContact CG-CB 3.79Å; Q162-D184 PolarHBondContact NE2-OD1 3.09Å; Q162-Y185 HydrophobicContact CG-CE2 4.09Å |
| 163 | R | 93.7 | Very high | 92.6 | Very high | 155 Ų | 155 | 55 Ų | 55 | 59% | 0.585 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 128.9 | 171.9 | -76.1 | 171.8 | -175 | 151.2 | 2.9 | 110.4 | P160 N165 F178 | P160-R163 WeakPolarHBondContact O-CB 3.32Å; P160-R163 WeakPolarHBondContact O-CD 3.41Å; P160-R163 VanDerWaalsContact O-CG 3.24Å; P160-R163 WeakPolarHBondContact O-CG 3.38Å; P160-R163 PolarHBondContact O-N 3.4Å; R163-N165 VanDerWaalsContact C-N 3.33Å; R163-F178 HydrophobicContact CG-CD1 4.29Å; R163-F178 HydrophobicContact CG-CE1 3.52Å; R163-F178 HydrophobicContact CG-CE2 4.17Å; R163-F178 HydrophobicContact CG-CZ 3.46Å; R163-F178 VanDerWaalsContact CG-CZ 3.46Å |
| 164 | G | 91.8 | Very high | 93.8 | Very high | 79 Ų | 79 | 53.2 Ų | 53.2 | 81% | 0.814 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | -6.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q162 | Q162-G164 PolarHBondContact O-N 3.2Š|
| 165 | N | 94.2 | Very high | 94.4 | Very high | 18 Ų | 18 | 53.6 Ų | 53.6 | 10% | 0.096 | 28% | 0.277 | C | S | . | . | trans | -63.3 | 125.3 | 174.9 | -174.4 | -27.3 | 0 | 0 | 0 | 110.3 | Q162 R163 I167 L168 Y185 F195 | Q162-N165 HydrophobicContact CB-CB 4.44Å; Q162-N165 WeakPolarHBondContact O-CB 3.39Å; Q162-N165 PolarHBondContact O-N 3.25Å; Q162-N165 PolarHBondContact OE1-ND2 3.1Å; R163-N165 VanDerWaalsContact C-N 3.33Å; N165-I167 PolarHBondContact O-N 2.56Å; N165-I167 VanDerWaalsContact O-N 3.14Å; N165-I167 WeakPolarHBondContact OD1-CB 3.23Å; N165-I167 VanDerWaalsContact OD1-CG1 3.29Å; N165-I167 WeakPolarHBondContact OD1-CG1 3.43Å; N165-I167 PolarHBondContact OD1-N 3.1Å; N165-L168 PolarHBondContact O-N 3.05Å; N165-Y185 PolarHBondContact ND2-OH 2.86Å; N165-F195 WeakPolarHBondContact ND2-CD1 3.4Å; N165-F195 WeakPolarHBondContact ND2-CE1 3.24Å | ||
| 166 | P | 93.5 | Very high | 94.5 | Very high | 56 Ų | 56 | 57.4 Ų | 57.4 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -59.9 | -23.9 | -178.2 | 24.3 | -35.7 | 0 | 0 | 0 | 114.2 | L168 K169 F170 P257 | P166-L168 PolarHBondContact O-N 2.83Å; P166-K169 WeakPolarHBondContact O-CB 3.43Å; P166-K169 PolarHBondContact O-N 3.46Å; P166-F170 WeakPolarHBondContact O-CD2 3.16Å; P166-P257 HydrophobicContact CB-CB 4.34Å; P166-P257 HydrophobicContact CG-CB 4.2Å |
| 167 | I | 95.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -54.9 | -36.1 | 178.8 | -67.7 | 171.9 | 0 | 0 | 0 | 111.9 | N165 K169 F170 V171 F195 P257 A260 L264 | N165-I167 PolarHBondContact O-N 2.56Å; N165-I167 VanDerWaalsContact O-N 3.14Å; N165-I167 WeakPolarHBondContact OD1-CB 3.23Å; N165-I167 VanDerWaalsContact OD1-CG1 3.29Å; N165-I167 WeakPolarHBondContact OD1-CG1 3.43Å; N165-I167 PolarHBondContact OD1-N 3.1Å; I167-K169 PolarHBondContact O-N 3.43Å; I167-K169 VanDerWaalsContact O-N 3.07Å; I167-F170 PolarHBondContact O-N 3.34Å; I167-V171 HydrophobicContact CG2-CG2 4.35Å; I167-V171 PolarHBondContact O-N 3.23Å; I167-F195 HydrophobicContact CD1-CD2 3.6Å; I167-F195 HydrophobicContact CD1-CE1 4.44Å; I167-F195 HydrophobicContact CD1-CE2 3.23Å; I167-F195 HydrophobicContact CD1-CG 4.35Å; I167-F195 HydrophobicContact CD1-CZ 3.7Å; I167-P257 HydrophobicContact CG1-CB 3.9Å; I167-A260 HydrophobicContact CD1-CB 3.61Å; I167-A260 HydrophobicContact CG1-CB 3.94Å; I167-L264 HydrophobicContact CG2-CD1 3.71Å |
| 168 | L | 94.3 | Very high | 94.5 | Very high | 20 Ų | 20 | 64.7 Ų | 64.7 | 11% | 0.105 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -62.3 | -18 | 180 | -62.2 | 178.3 | 0 | 0 | 0 | 113.7 | V158 Q162 N165 P166 F170 W176 F178 Y185 | V158-L168 HydrophobicContact CG1-CD1 4.27Å; V158-L168 HydrophobicContact CG1-CD2 3.98Å; V158-L168 HydrophobicContact CG2-CD2 3.96Å; Q162-L168 WeakPolarHBondContact O-CD1 3.29Å; N165-L168 PolarHBondContact O-N 3.05Å; P166-L168 PolarHBondContact O-N 2.83Å; L168-F170 VanDerWaalsContact C-N 3.33Å; L168-W176 HydrophobicContact CB-CH2 4.43Å; L168-W176 HydrophobicContact CB-CZ2 3.96Å; L168-W176 HydrophobicContact CD1-CH2 4.12Å; L168-W176 HydrophobicContact CD1-CZ2 4.45Å; L168-W176 HydrophobicContact CD1-CZ3 4.36Å; L168-W176 HydrophobicContact CD2-CD2 4.28Å; L168-W176 HydrophobicContact CD2-CE3 4.47Å; L168-W176 HydrophobicContact CD2-CZ2 4.46Å; L168-F178 HydrophobicContact CD1-CE1 4.5Å; L168-F178 HydrophobicContact CD1-CZ 4.31Å; L168-Y185 HydrophobicContact CD2-CE1 3.92Å |
| 169 | K | 94.4 | Very high | 94.4 | Very high | 152 Ų | 152 | 65.2 Ų | 65.2 | 66% | 0.661 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -79.7 | -16 | 175.2 | -56.8 | 179.8 | 179.9 | -179.2 | 0 | 113.4 | P166 I167 R172 | P166-K169 WeakPolarHBondContact O-CB 3.43Å; P166-K169 PolarHBondContact O-N 3.46Å; I167-K169 PolarHBondContact O-N 3.43Å; I167-K169 VanDerWaalsContact O-N 3.07Å; K169-R172 PolarHBondContact O-NE 3.39Å; K169-R172 PolarHBondContact O-NH2 3.15Å |
| 170 | F | 95.3 | Very high | 94.2 | Very high | 64 Ų | 64 | 72.6 Ų | 72.6 | 28% | 0.281 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -19.2 | -176.7 | -60.9 | -77.3 | 0 | 0 | 0 | 112.9 | P166 I167 L168 R172 P257 E258 | P166-F170 WeakPolarHBondContact O-CD2 3.16Å; I167-F170 PolarHBondContact O-N 3.34Å; L168-F170 VanDerWaalsContact C-N 3.33Å; F170-R172 PolarHBondContact O-N 2.94Å; F170-P257 HydrophobicContact CD2-CB 4.26Å; F170-P257 HydrophobicContact CE2-CB 4.09Å; F170-P257 HydrophobicContact CE2-CG 3.94Å; F170-E258 HydrophobicContact CD1-CB 3.67Å; F170-E258 HydrophobicContact CD1-CG 3.74Å; F170-E258 HydrophobicContact CD2-CB 4.43Å; F170-E258 HydrophobicContact CE1-CB 3.87Å; F170-E258 HydrophobicContact CE1-CG 4.18Å; F170-E258 HydrophobicContact CG-CB 3.97Å; F170-E258 HydrophobicContact CG-CG 4.31Å; F170-E258 HydrophobicContact CZ-CB 4.34Å |
| 171 | V | 95.1 | Very high | 94.2 | Very high | 10 Ų | 10 | 71.9 Ų | 71.9 | 6% | 0.061 | 36% | 0.362 | C | S | . | . | trans | -74 | 102.5 | 166.7 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | I156 I167 L264 E265 | I156-V171 HydrophobicContact CD1-CG1 4.18Å; I167-V171 HydrophobicContact CG2-CG2 4.35Å; I167-V171 PolarHBondContact O-N 3.23Å; V171-L264 HydrophobicContact CG2-CB 4.44Å; V171-L264 HydrophobicContact CG2-CD1 4.24Å; V171-E265 HydrophobicContact CG1-CG 4.11Å | ||
| 172 | R | 93.6 | Very high | 94.2 | Very high | 191 Ų | 191 | 69.5 Ų | 69.5 | 72% | 0.721 | 36% | 0.361 | S | S | * | . | trans | -129.8 | -30.1 | -173.8 | -62.6 | -179.9 | -175.1 | 179.7 | 3.1 | 113.5 | K169 F170 V174 E265 | K169-R172 PolarHBondContact O-NE 3.39Å; K169-R172 PolarHBondContact O-NH2 3.15Å; F170-R172 PolarHBondContact O-N 2.94Å; R172-V174 PolarHBondContact O-N 2.87Å; R172-E265 PolarHBondContact N-OE1 3.35Å | ||
| 173 | S | 92.2 | Very high | 94.2 | Very high | 82 Ų | 82 | 68.9 Ų | 68.9 | 57% | 0.573 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -75 | -13.4 | -179.1 | -44.7 | 0 | 0 | 0 | 0 | 112.9 | R262 E265 | S173-R262 PolarHBondContact OG-NH1 3.23Å; S173-E265 WeakPolarHBondContact CB-OE1 3.42Å; S173-E265 PolarHBondContact N-OE1 3.03Å; S173-E265 PolarHBondContact OG-OE1 3.38Å; S173-E265 PolarHBondContact OG-OE2 3.48Å; S173-E265 VanDerWaalsContact OG-OE2 3.08Å |
| 174 | V | 92.9 | Very high | 94.4 | Very high | 14 Ų | 14 | 61.6 Ų | 61.6 | 9% | 0.085 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -139.1 | 130.7 | -171.6 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | I156 R172 E265 K268 | I156-V174 HydrophobicContact CD1-CB 4.34Å; I156-V174 HydrophobicContact CD1-CG1 3.84Å; I156-V174 HydrophobicContact CG1-CG1 3.82Å; R172-V174 PolarHBondContact O-N 2.87Å; V174-E265 HydrophobicContact CG2-CB 4.19Å; V174-E265 HydrophobicContact CG2-CG 4.31Å; V174-K268 HydrophobicContact CG1-CB 4.1Å; V174-K268 HydrophobicContact CG1-CG 3.63Å |
| 175 | P | 94.1 | Very high | 94.6 | Very high | 80 Ų | 80 | 57.9 Ų | 57.9 | 52% | 0.519 | 29% | 0.293 | S | S | . | . | trans | -68.5 | 149.8 | 177 | 28.8 | -33.5 | 0 | 0 | 0 | 110.9 | S155 I156 | S155-P175 CarbonylContact C-O 3.54Å; S155-P175 VanDerWaalsContact CA-O 3.24Å; S155-P175 WeakPolarHBondContact CA-O 2.97Å; I156-P175 PolarHBondContact N-O 3Å | ||
| 176 | W | 95.3 | Very high | 94.7 | Very high | 91 Ų | 91 | 58.1 Ų | 58.1 | 35% | 0.345 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 149.9 | 176.8 | 62.4 | -98.1 | 0 | 0 | 0 | 111.2 | I156 V158 L168 F178 | I156-W176 HydrophobicContact CB-CB 4.05Å; I156-W176 WeakPolarHBondContact O-CA 3.45Å; I156-W176 WeakPolarHBondContact O-CB 3.11Å; V158-W176 HydrophobicContact CB-CE3 4.38Å; V158-W176 HydrophobicContact CG2-CB 3.97Å; V158-W176 HydrophobicContact CG2-CD2 4.2Å; V158-W176 HydrophobicContact CG2-CE3 3.8Å; V158-W176 HydrophobicContact CG2-CG 4.3Å; L168-W176 HydrophobicContact CB-CH2 4.43Å; L168-W176 HydrophobicContact CB-CZ2 3.96Å; L168-W176 HydrophobicContact CD1-CH2 4.12Å; L168-W176 HydrophobicContact CD1-CZ2 4.45Å; L168-W176 HydrophobicContact CD1-CZ3 4.36Å; L168-W176 HydrophobicContact CD2-CD2 4.28Å; L168-W176 HydrophobicContact CD2-CE3 4.47Å; L168-W176 HydrophobicContact CD2-CZ2 4.46Å; W176-F178 HydrophobicContact CH2-CE2 4.17Å; W176-F178 HydrophobicContact CH2-CZ 4.17Å; W176-F178 HydrophobicContact CZ3-CD2 4.15Å; W176-F178 HydrophobicContact CZ3-CE1 4.25Å; W176-F178 AromaticContact CZ3-CE2 3.65Å; W176-F178 HydrophobicContact CZ3-CE2 3.65Å; W176-F178 AromaticContact CZ3-CZ 3.69Å; W176-F178 HydrophobicContact CZ3-CZ 3.69Å |
| 177 | E | 94.9 | Very high | 94.7 | Very high | 78 Ų | 78 | 55.5 Ų | 55.5 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 152.3 | -177.6 | 62.9 | -167.3 | 136.3 | 0 | 0 | 110.7 | G151 S152 S155 I156 I157 V158 | G151-E177 WeakPolarHBondContact CA-OE1 3.5Å; S152-E177 PolarHBondContact N-OE1 3.19Å; S155-E177 WeakPolarHBondContact CB-OE1 3.41Å; S155-E177 PolarHBondContact OG-OE1 2.89Å; I156-E177 PolarHBondContact O-N 2.97Å; I157-E177 HydrophobicContact CD1-CG 3.65Å; I157-E177 WeakPolarHBondContact CD1-OE1 3.46Å; V158-E177 PolarHBondContact N-O 3.4Å |
| 178 | F | 96.1 | Very high | 94.5 | Very high | 85 Ų | 85 | 55.8 Ų | 55.8 | 37% | 0.373 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 125.6 | 174.2 | -72.6 | -65.9 | 0 | 0 | 0 | 110.3 | V158 R163 L168 W176 | V158-F178 HydrophobicContact CB-CD1 4.06Å; V158-F178 HydrophobicContact CB-CE1 4.22Å; V158-F178 HydrophobicContact CG1-CD1 4.02Å; V158-F178 HydrophobicContact CG1-CE1 3.75Å; V158-F178 WeakPolarHBondContact O-CA 3.3Å; R163-F178 HydrophobicContact CG-CD1 4.29Å; R163-F178 HydrophobicContact CG-CE1 3.52Å; R163-F178 HydrophobicContact CG-CE2 4.17Å; R163-F178 HydrophobicContact CG-CZ 3.46Å; R163-F178 VanDerWaalsContact CG-CZ 3.46Å; L168-F178 HydrophobicContact CD1-CE1 4.5Å; L168-F178 HydrophobicContact CD1-CZ 4.31Å; W176-F178 HydrophobicContact CH2-CE2 4.17Å; W176-F178 HydrophobicContact CH2-CZ 4.17Å; W176-F178 HydrophobicContact CZ3-CD2 4.15Å; W176-F178 HydrophobicContact CZ3-CE1 4.25Å; W176-F178 AromaticContact CZ3-CE2 3.65Å; W176-F178 HydrophobicContact CZ3-CE2 3.65Å; W176-F178 AromaticContact CZ3-CZ 3.69Å; W176-F178 HydrophobicContact CZ3-CZ 3.69Å |
| 179 | G | 94.3 | Very high | 94.3 | Very high | 13 Ų | 13 | 59 Ų | 59 | 13% | 0.134 | 30% | 0.296 | C | S | . | . | trans | -135.3 | 149.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V158 P160 V181 | V158-G179 PolarHBondContact O-N 3.42Å; V158-G179 VanDerWaalsContact O-N 3.1Å; P160-G179 WeakPolarHBondContact CD-O 3.33Å; G179-V181 PolarHBondContact O-N 2.98Å | ||
| 180 | D | 93.6 | Very high | 94.2 | Very high | 157 Ų | 157 | 55.3 Ų | 55.3 | 84% | 0.84 | 29% | 0.286 | S | S | * | . | trans | -73.1 | 101.4 | 176.9 | -168.4 | 21.9 | 0 | 0 | 0 | 109.9 | ||||
| 181 | V | 94.4 | Very high | 94.2 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 15% | 0.145 | 28% | 0.278 | C | S | . | . | trans | -136.9 | 143 | -173.6 | -64.7 | 0 | 0 | 0 | 0 | 110.9 | I157 S159 G179 V186 | I157-V181 HydrophobicContact CG2-CG1 3.85Å; I157-V181 HydrophobicContact CG2-CG2 4.43Å; S159-V181 PolarHBondContact OG-O 3.39Å; G179-V181 PolarHBondContact O-N 2.98Å; V181-V186 HydrophobicContact CB-CG2 4.1Å; V181-V186 HydrophobicContact CG1-CG2 3.98Å; V181-V186 HydrophobicContact CG2-CG2 4.22Å | ||
| 182 | V | 94.4 | Very high | 94.2 | Very high | 75 Ų | 75 | 52.7 Ų | 52.7 | 46% | 0.455 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -64.3 | -51.4 | 178.1 | -179.6 | 0 | 0 | 0 | 0 | 113 | R211 Q214 L215 | V182-R211 VanDerWaalsContact O-CZ 3.23Å; V182-R211 PolarHBondContact O-NH1 2.92Å; V182-R211 PolarHBondContact O-NH2 3.44Å; V182-Q214 HydrophobicContact CG1-CB 4.2Å; V182-L215 HydrophobicContact CG1-CD1 4.49Å |
| 183 | P | 95.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -67.1 | 171.5 | 172.1 | 29.6 | -36.9 | 0 | 0 | 0 | 111.6 | S159 V186 C192 L194 L215 F219 | S159-P183 WeakPolarHBondContact CB-O 3.47Å; P183-V186 HydrophobicContact CG-CG2 3.73Å; P183-C192 HydrophobicContact CB-CB 3.72Å; P183-C192 HydrophobicContact CG-CB 3.79Å; P183-L194 HydrophobicContact CB-CD2 4.29Å; P183-L215 HydrophobicContact CB-CD1 3.89Å; P183-L215 HydrophobicContact CG-CD1 4.23Å; P183-F219 HydrophobicContact CG-CE2 3.86Å; P183-F219 HydrophobicContact CG-CZ 4.08Å |
| 184 | D | 96.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -80.1 | -32.1 | 177.9 | -63.7 | -52.7 | 0 | 0 | 0 | 111.8 | S159 R161 Q162 A193 L194 F195 R211 | S159-D184 PolarHBondContact N-O 3.17Å; R161-D184 IonicContact NH1-OD1 2.77Å; R161-D184 PolarHBondContact NH1-OD1 2.89Å; Q162-D184 HydrophobicContact CG-CB 3.79Å; Q162-D184 PolarHBondContact NE2-OD1 3.09Å; D184-A193 PolarHBondContact N-O 3.47Å; D184-L194 WeakPolarHBondContact OD2-CA 3.43Å; D184-F195 HydrophobicContact CB-CB 4.39Å; D184-F195 PolarHBondContact OD2-N 3.39Å; D184-R211 IonicContact OD1-CZ 3.15Å; D184-R211 IonicContact OD1-NH2 3.68Å; D184-R211 PolarHBondContact OD1-NH2 3.39Å; D184-R211 IonicContact OD2-NH2 2.67Å |
| 185 | Y | 96.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 134.6 | 175.1 | -57.1 | -87.4 | 0 | 0 | 0 | 110.8 | I156 I157 V158 Q162 N165 L168 C192 A193 F195 L264 | I156-Y185 HydrophobicContact CG2-CD1 4.2Å; I157-Y185 CarbonylContact O-C 3.56Å; I157-Y185 WeakPolarHBondContact O-CA 3.41Å; V158-Y185 HydrophobicContact CG1-CD1 4.36Å; V158-Y185 HydrophobicContact CG1-CE1 3.99Å; V158-Y185 HydrophobicContact CG2-CD1 4.05Å; V158-Y185 HydrophobicContact CG2-CE1 4.12Å; Q162-Y185 HydrophobicContact CG-CE2 4.09Å; N165-Y185 PolarHBondContact ND2-OH 2.86Å; L168-Y185 HydrophobicContact CD2-CE1 3.92Å; Y185-C192 CarbonylContact O-C 3.56Å; Y185-C192 WeakPolarHBondContact O-CA 3.46Å; Y185-C192 WeakPolarHBondContact O-CB 3.45Å; Y185-A193 PolarHBondContact N-O 3.14Å; Y185-A193 PolarHBondContact O-N 2.91Å; Y185-F195 HydrophobicContact CD2-CB 4.48Å; Y185-F195 HydrophobicContact CE2-CB 3.84Å; Y185-L264 HydrophobicContact CD1-CD1 3.95Å; Y185-L264 HydrophobicContact CD2-CD1 4.33Å; Y185-L264 HydrophobicContact CD2-CD2 4.21Å; Y185-L264 HydrophobicContact CE1-CD1 3.84Å; Y185-L264 HydrophobicContact CE2-CD1 4.25Å; Y185-L264 HydrophobicContact CG-CD1 4.2Å; Y185-L264 HydrophobicContact CG-CD2 4.09Å |
| 186 | V | 96.1 | Very high | 94.9 | Very high | 22 Ų | 22 | 36.8 Ų | 36.8 | 13% | 0.133 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 119.7 | 165 | -175.9 | 0 | 0 | 0 | 0 | 108.1 | I157 V181 P183 G188 F219 | I157-V186 HydrophobicContact CB-CB 4.02Å; I157-V186 HydrophobicContact CB-CG2 4.41Å; I157-V186 HydrophobicContact CG1-CB 4.26Å; I157-V186 PolarHBondContact N-O 3Å; I157-V186 VanDerWaalsContact N-O 3.11Å; I157-V186 PolarHBondContact O-N 3.36Å; V181-V186 HydrophobicContact CB-CG2 4.1Å; V181-V186 HydrophobicContact CG1-CG2 3.98Å; V181-V186 HydrophobicContact CG2-CG2 4.22Å; P183-V186 HydrophobicContact CG-CG2 3.73Å; V186-G188 WeakPolarHBondContact CG1-O 3.38Å; V186-F219 HydrophobicContact CG1-CE1 4.06Å; V186-F219 HydrophobicContact CG1-CZ 4.48Å; V186-F219 HydrophobicContact CG2-CZ 4.14Å |
| 187 | L | 94.2 | Very high | 95 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | -7.9 | -172 | -64.5 | 166.8 | 0 | 0 | 0 | 112.4 | I156 T191 A193 L264 Y267 K268 | I156-L187 HydrophobicContact CD1-CD2 3.95Å; I156-L187 HydrophobicContact CG1-CD2 4.08Å; I156-L187 HydrophobicContact CG2-CD2 4.08Å; L187-T191 HydrophobicContact CB-CG2 4Å; L187-T191 HydrophobicContact CD1-CG2 4.43Å; L187-T191 PolarHBondContact N-O 3.4Å; L187-A193 HydrophobicContact CD1-CB 3.73Å; L187-L264 HydrophobicContact CD1-CD2 4.05Å; L187-L264 HydrophobicContact CD2-CB 4.08Å; L187-L264 HydrophobicContact CD2-CD2 3.9Å; L187-L264 HydrophobicContact CG-CD2 4.46Å; L187-Y267 HydrophobicContact CD1-CD2 4.28Å; L187-Y267 HydrophobicContact CD1-CG 4.15Å; L187-K268 WeakPolarHBondContact O-CD 3.21Å |
| 188 | G | 91.4 | Very high | 95 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 7% | 0.072 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.4 | 178.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V186 T190 T191 E271 | V186-G188 WeakPolarHBondContact CG1-O 3.38Å; G188-T190 PolarHBondContact O-N 3.1Å; G188-T190 VanDerWaalsContact O-N 3.15Å; G188-T191 PolarHBondContact N-O 3.38Å; G188-T191 VanDerWaalsContact N-O 3.16Å; G188-T191 PolarHBondContact O-N 3.14Å; G188-E271 VanDerWaalsContact CA-CD 3.41Å; G188-E271 WeakPolarHBondContact CA-OE1 3.49Å |
| 189 | Q | 89.6 | Confident | 95 | Very high | 87 Ų | 87 | 34.4 Ų | 34.4 | 41% | 0.407 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -30.1 | -174.7 | -176.6 | 57.8 | 85.3 | 0 | 0 | 113.8 | P147 E271 | P147-Q189 PolarHBondContact O-NE2 3.01Å; Q189-E271 PolarHBondContact N-OE1 3.17Å |
| 190 | T | 91.6 | Very high | 95.1 | Very high | 74 Ų | 74 | 38.6 Ų | 38.6 | 45% | 0.454 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | 7.6 | -179.5 | 55.2 | 0 | 0 | 0 | 0 | 113.4 | G188 T220 L221 | G188-T190 PolarHBondContact O-N 3.1Å; G188-T190 VanDerWaalsContact O-N 3.15Å; T190-T220 PolarHBondContact O-N 3.36Å; T190-L221 PolarHBondContact O-N 3.32Å |
| 191 | T | 94.6 | Very high | 95.2 | Very high | 20 Ų | 20 | 31.6 Ų | 31.6 | 12% | 0.123 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 125.4 | -170.6 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | L187 G188 L221 | L187-T191 HydrophobicContact CB-CG2 4Å; L187-T191 HydrophobicContact CD1-CG2 4.43Å; L187-T191 PolarHBondContact N-O 3.4Å; G188-T191 PolarHBondContact N-O 3.38Å; G188-T191 VanDerWaalsContact N-O 3.16Å; G188-T191 PolarHBondContact O-N 3.14Å; T191-L221 WeakPolarHBondContact CA-O 3.36Å; T191-L221 HydrophobicContact CG2-CB 4.11Å; T191-L221 HydrophobicContact CG2-CD2 3.77Å; T191-L221 HydrophobicContact CG2-CG 3.95Å |
| 192 | C | 95.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 158.4 | 174.1 | 69 | 0 | 0 | 0 | 0 | 112 | P183 Y185 F219 L221 V223 | P183-C192 HydrophobicContact CB-CB 3.72Å; P183-C192 HydrophobicContact CG-CB 3.79Å; Y185-C192 CarbonylContact O-C 3.56Å; Y185-C192 WeakPolarHBondContact O-CA 3.46Å; Y185-C192 WeakPolarHBondContact O-CB 3.45Å; C192-F219 HydrophobicContact CB-CB 4.34Å; C192-F219 HydrophobicContact CB-CD1 3.87Å; C192-F219 HydrophobicContact CB-CD2 3.85Å; C192-F219 HydrophobicContact CB-CE1 4.08Å; C192-F219 HydrophobicContact CB-CE2 4.06Å; C192-F219 HydrophobicContact CB-CG 3.75Å; C192-F219 HydrophobicContact CB-CZ 4.17Å; C192-F219 VanDerWaalsContact SG-CD2 3.54Å; C192-F219 VanDerWaalsContact SG-CG 3.54Å; C192-L221 PolarHBondContact N-O 3.29Å; C192-V223 PolarHBondContact O-N 3.12Å |
| 193 | A | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 140.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D184 Y185 L187 V223 L264 | D184-A193 PolarHBondContact N-O 3.47Å; Y185-A193 PolarHBondContact N-O 3.14Å; Y185-A193 PolarHBondContact O-N 2.91Å; L187-A193 HydrophobicContact CD1-CB 3.73Å; A193-V223 CarbonylContact C-O 3.54Å; A193-V223 VanDerWaalsContact CA-O 3.25Å; A193-V223 WeakPolarHBondContact CA-O 3.29Å; A193-V223 HydrophobicContact CB-CB 4.05Å; A193-V223 HydrophobicContact CB-CG1 4.47Å; A193-L264 HydrophobicContact CB-CD2 4.09Å |
| 194 | L | 97 | Very high | 95.3 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 145.2 | 160.8 | -67.7 | 177.5 | 0 | 0 | 0 | 108.7 | P183 D184 I208 R211 L212 L215 V223 L224 L225 | P183-L194 HydrophobicContact CB-CD2 4.29Å; D184-L194 WeakPolarHBondContact OD2-CA 3.43Å; L194-I208 HydrophobicContact CD1-CD1 4.19Å; L194-R211 HydrophobicContact CD1-CB 4.35Å; L194-L212 HydrophobicContact CD1-CD2 3.77Å; L194-L212 HydrophobicContact CD1-CG 4.25Å; L194-L215 HydrophobicContact CD1-CD2 3.96Å; L194-L215 HydrophobicContact CG-CD2 4.11Å; L194-V223 PolarHBondContact N-O 3.2Å; L194-L224 HydrophobicContact CB-CD1 3.83Å; L194-L225 PolarHBondContact O-N 2.7Å |
| 195 | F | 97.5 | Very high | 95.1 | Very high | 26 Ų | 26 | 43.4 Ų | 43.4 | 11% | 0.114 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 134.9 | 177.8 | 172.7 | -103.8 | 0 | 0 | 0 | 111.9 | N165 I167 D184 Y185 L225 Q227 | N165-F195 WeakPolarHBondContact ND2-CD1 3.4Å; N165-F195 WeakPolarHBondContact ND2-CE1 3.24Å; I167-F195 HydrophobicContact CD1-CD2 3.6Å; I167-F195 HydrophobicContact CD1-CE1 4.44Å; I167-F195 HydrophobicContact CD1-CE2 3.23Å; I167-F195 HydrophobicContact CD1-CG 4.35Å; I167-F195 HydrophobicContact CD1-CZ 3.7Å; D184-F195 HydrophobicContact CB-CB 4.39Å; D184-F195 PolarHBondContact OD2-N 3.39Å; Y185-F195 HydrophobicContact CD2-CB 4.48Å; Y185-F195 HydrophobicContact CE2-CB 3.84Å; F195-L225 WeakPolarHBondContact CA-O 3.45Å; F195-L225 HydrophobicContact CD2-CG 4.47Å; F195-Q227 HydrophobicContact CE2-CB 3.8Å; F195-Q227 HydrophobicContact CZ-CB 4.08Å |
| 196 | L | 96.6 | Very high | 95 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 122.7 | -179.7 | -174.3 | 60.1 | 0 | 0 | 0 | 110.9 | Y200 H201 Y207 I208 L224 L225 V226 Q227 L240 | L196-Y200 HydrophobicContact CD1-CD1 4.03Å; L196-H201 HydrophobicContact CD1-CB 4.07Å; L196-H201 HydrophobicContact CD2-CB 4.02Å; L196-H201 HydrophobicContact CG-CB 4.09Å; L196-Y207 HydrophobicContact CD1-CD1 3.98Å; L196-Y207 HydrophobicContact CD1-CE1 4.26Å; L196-I208 HydrophobicContact CD2-CB 4.09Å; L196-I208 HydrophobicContact CD2-CD1 4.44Å; L196-I208 HydrophobicContact CD2-CG1 4.2Å; L196-L224 HydrophobicContact CB-CD1 4.26Å; L196-L225 PolarHBondContact N-O 2.87Å; L196-V226 CarbonylContact O-C 3.53Å; L196-V226 VanDerWaalsContact O-CA 3.25Å; L196-V226 WeakPolarHBondContact O-CA 3.33Å; L196-Q227 PolarHBondContact O-N 3.49Å; L196-L240 HydrophobicContact CD2-CD1 4.17Å; L196-L240 HydrophobicContact CD2-CD2 3.72Å |
| 197 | S | 96.4 | Very high | 95 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 139.4 | 163.4 | 136.8 | 0 | 0 | 0 | 0 | 109.1 | R199 Y200 H201 D229 | S197-R199 VanDerWaalsContact C-N 3.3Å; S197-R199 PolarHBondContact O-N 3.08Å; S197-R199 PolarHBondContact OG-N 3.03Å; S197-Y200 WeakPolarHBondContact O-CB 3.41Å; S197-Y200 PolarHBondContact O-N 3.09Å; S197-Y200 VanDerWaalsContact O-N 3.13Å; S197-Y200 PolarHBondContact OG-N 3.16Å; S197-H201 PolarHBondContact O-N 3.39Å; S197-D229 WeakPolarHBondContact CB-OD2 3.33Å; S197-D229 VanDerWaalsContact OG-CG 3.3Å; S197-D229 PolarHBondContact OG-OD1 3.22Å; S197-D229 PolarHBondContact OG-OD2 2.85Å |
| 198 | L | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.2 | -37 | 178.6 | -144.4 | 73.7 | 0 | 0 | 0 | 111.2 | Y200 H201 N202 V226 Q227 V228 D229 V230 P233 A236 L237 L240 | L198-Y200 VanDerWaalsContact C-N 3.31Å; L198-Y200 PolarHBondContact O-N 3.27Å; L198-H201 PolarHBondContact O-N 2.67Å; L198-N202 VanDerWaalsContact O-CG 3.29Å; L198-N202 PolarHBondContact O-N 2.96Å; L198-N202 PolarHBondContact O-OD1 2.82Å; L198-V226 HydrophobicContact CD1-CG1 3.54Å; L198-Q227 WeakPolarHBondContact CB-O 3.43Å; L198-Q227 PolarHBondContact N-O 3.07Å; L198-V228 HydrophobicContact CD2-CG1 4.41Å; L198-D229 PolarHBondContact N-OD1 2.8Å; L198-D229 VanDerWaalsContact N-OD1 3.11Å; L198-V230 HydrophobicContact CB-CG2 4.13Å; L198-V230 HydrophobicContact CD2-CB 4.41Å; L198-P233 HydrophobicContact CD2-CB 3.34Å; L198-A236 HydrophobicContact CD1-CB 4.03Å; L198-A236 HydrophobicContact CD2-CB 4.16Å; L198-A236 HydrophobicContact CG-CB 3.94Å; L198-L237 HydrophobicContact CD1-CD2 3.81Å; L198-L237 HydrophobicContact CD1-CG 4.32Å; L198-L237 HydrophobicContact CD2-CG 4.31Å; L198-L240 HydrophobicContact CD1-CD1 3.58Å |
| 199 | R | 95.7 | Very high | 95.2 | Very high | 185 Ų | 185 | 54 Ų | 54 | 70% | 0.698 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -60.4 | -39.5 | 171.1 | -177 | -178.3 | 176.5 | -179.2 | -0.6 | 111.9 | S197 L203 D229 V230 | S197-R199 VanDerWaalsContact C-N 3.3Å; S197-R199 PolarHBondContact O-N 3.08Å; S197-R199 PolarHBondContact OG-N 3.03Å; R199-L203 PolarHBondContact O-N 2.94Å; R199-D229 WeakPolarHBondContact CB-OD1 3.44Å; R199-D229 WeakPolarHBondContact CB-OD2 3.49Å; R199-D229 PolarHBondContact N-OD1 2.81Å; R199-V230 HydrophobicContact CB-CG2 3.82Å |
| 200 | Y | 95.7 | Very high | 95.5 | Very high | 102 Ų | 102 | 54.1 Ų | 54.1 | 40% | 0.4 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.7 | -39.2 | 175.8 | -172.9 | -95.3 | 0 | 0 | 0 | 112 | L196 S197 L198 L203 N204 Y207 | L196-Y200 HydrophobicContact CD1-CD1 4.03Å; S197-Y200 WeakPolarHBondContact O-CB 3.41Å; S197-Y200 PolarHBondContact O-N 3.09Å; S197-Y200 VanDerWaalsContact O-N 3.13Å; S197-Y200 PolarHBondContact OG-N 3.16Å; L198-Y200 VanDerWaalsContact C-N 3.31Å; L198-Y200 PolarHBondContact O-N 3.27Å; Y200-L203 PolarHBondContact O-N 3.28Å; Y200-N204 HydrophobicContact CD1-CB 4.5Å; Y200-N204 HydrophobicContact CE1-CB 4.02Å; Y200-N204 WeakPolarHBondContact CE2-ND2 3.5Å; Y200-N204 PolarHBondContact O-N 3.37Å; Y200-Y207 HydrophobicContact CD1-CD1 4.21Å; Y200-Y207 AromaticContact CE1-CD1 3.73Å; Y200-Y207 HydrophobicContact CE1-CD1 3.73Å; Y200-Y207 HydrophobicContact CE1-CD2 4.13Å; Y200-Y207 HydrophobicContact CE1-CE1 4.07Å; Y200-Y207 HydrophobicContact CE1-CE2 4.45Å; Y200-Y207 AromaticContact CE1-CG 3.75Å; Y200-Y207 HydrophobicContact CE1-CG 3.75Å |
| 201 | H | 96.5 | Very high | 95.7 | Very high | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.046 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.4 | -44.1 | 175.1 | -177.1 | 51.6 | 0 | 0 | 0 | 112.1 | L196 S197 L198 L203 N204 P205 | L196-H201 HydrophobicContact CD1-CB 4.07Å; L196-H201 HydrophobicContact CD2-CB 4.02Å; L196-H201 HydrophobicContact CG-CB 4.09Å; S197-H201 PolarHBondContact O-N 3.39Å; L198-H201 PolarHBondContact O-N 2.67Å; H201-L203 PolarHBondContact O-N 3.39Å; H201-N204 CarbonylContact O-C 3.16Å; H201-N204 PolarHBondContact O-N 3.18Å; H201-N204 VanDerWaalsContact O-N 3.11Å; H201-P205 WeakPolarHBondContact O-CA 3.21Å; H201-P205 VanDerWaalsContact O-N 3.08Å |
| 202 | N | 94.9 | Very high | 95.6 | Very high | 90 Ų | 90 | 51 Ų | 51 | 48% | 0.481 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.1 | -27 | 176.9 | -69.6 | -0.6 | 0 | 0 | 0 | 113.2 | L198 | L198-N202 VanDerWaalsContact O-CG 3.29Å; L198-N202 PolarHBondContact O-N 2.96Å; L198-N202 PolarHBondContact O-OD1 2.82Å |
| 203 | L | 96.1 | Very high | 95.5 | Very high | 132 Ų | 132 | 59.2 Ų | 59.2 | 69% | 0.691 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -86.8 | -32.1 | 174.8 | -174.2 | 64.5 | 0 | 0 | 0 | 112.5 | R199 Y200 H201 | R199-L203 PolarHBondContact O-N 2.94Å; Y200-L203 PolarHBondContact O-N 3.28Å; H201-L203 PolarHBondContact O-N 3.39Å |
| 204 | N | 95.8 | Very high | 95.4 | Very high | 57 Ų | 57 | 64.7 Ų | 64.7 | 31% | 0.305 | 31% | 0.309 | S | S | . | . | trans | -134.5 | 71.6 | -174 | -58.9 | -83.6 | 0 | 0 | 0 | 111.1 | Y200 H201 N206 Y207 | Y200-N204 HydrophobicContact CD1-CB 4.5Å; Y200-N204 HydrophobicContact CE1-CB 4.02Å; Y200-N204 WeakPolarHBondContact CE2-ND2 3.5Å; Y200-N204 PolarHBondContact O-N 3.37Å; H201-N204 CarbonylContact O-C 3.16Å; H201-N204 PolarHBondContact O-N 3.18Å; H201-N204 VanDerWaalsContact O-N 3.11Å; N204-N206 VanDerWaalsContact C-N 3.34Å; N204-N206 PolarHBondContact O-N 3.4Å; N204-Y207 VanDerWaalsContact O-CB 3.26Å; N204-Y207 WeakPolarHBondContact O-CB 3.24Å; N204-Y207 PolarHBondContact O-N 2.95Å | ||
| 205 | P | 92.9 | Very high | 95.1 | Very high | 71 Ų | 71 | 64.7 Ų | 64.7 | 46% | 0.461 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -38.4 | -174.3 | 22 | -32.9 | 0 | 0 | 0 | 112.8 | H201 Y207 | H201-P205 WeakPolarHBondContact O-CA 3.21Å; H201-P205 VanDerWaalsContact O-N 3.08Å; P205-Y207 PolarHBondContact O-N 3.08Å |
| 206 | N | 94.6 | Very high | 94.8 | Very high | 116 Ų | 116 | 65 Ų | 65 | 62% | 0.62 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.2 | -22.6 | -179.9 | -66.8 | -16.4 | 0 | 0 | 0 | 113.8 | N204 I208 H209 D210 | N204-N206 VanDerWaalsContact C-N 3.34Å; N204-N206 PolarHBondContact O-N 3.4Å; N206-I208 VanDerWaalsContact C-N 3.3Å; N206-I208 PolarHBondContact O-N 3.12Å; N206-H209 WeakPolarHBondContact O-CB 3.38Å; N206-H209 PolarHBondContact O-N 2.85Å; N206-H209 VanDerWaalsContact O-N 3.07Å; N206-D210 PolarHBondContact O-N 2.71Å |
| 207 | Y | 95.7 | Very high | 94.3 | Very high | 43 Ų | 43 | 70.1 Ų | 70.1 | 17% | 0.169 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -52.4 | -45.8 | -174.9 | 172.7 | -104.9 | 0 | 0 | 0 | 112.9 | R161 L196 Y200 N204 P205 H209 D210 R211 | R161-Y207 PolarHBondContact NH1-OH 3.38Å; R161-Y207 PolarHBondContact NH2-OH 2.56Å; L196-Y207 HydrophobicContact CD1-CD1 3.98Å; L196-Y207 HydrophobicContact CD1-CE1 4.26Å; Y200-Y207 HydrophobicContact CD1-CD1 4.21Å; Y200-Y207 AromaticContact CE1-CD1 3.73Å; Y200-Y207 HydrophobicContact CE1-CD1 3.73Å; Y200-Y207 HydrophobicContact CE1-CD2 4.13Å; Y200-Y207 HydrophobicContact CE1-CE1 4.07Å; Y200-Y207 HydrophobicContact CE1-CE2 4.45Å; Y200-Y207 AromaticContact CE1-CG 3.75Å; Y200-Y207 HydrophobicContact CE1-CG 3.75Å; N204-Y207 VanDerWaalsContact O-CB 3.26Å; N204-Y207 WeakPolarHBondContact O-CB 3.24Å; N204-Y207 PolarHBondContact O-N 2.95Å; P205-Y207 PolarHBondContact O-N 3.08Å; Y207-H209 VanDerWaalsContact C-N 3.33Å; Y207-H209 PolarHBondContact O-N 3.1Å; Y207-D210 PolarHBondContact O-N 2.91Å; Y207-R211 HydrophobicContact CD1-CG 4.24Å; Y207-R211 HydrophobicContact CD2-CG 4.05Å; Y207-R211 HydrophobicContact CE1-CG 3.87Å; Y207-R211 HydrophobicContact CE2-CG 3.64Å; Y207-R211 HydrophobicContact CG-CG 4.33Å; Y207-R211 WeakPolarHBondContact O-CG 3.39Å; Y207-R211 PolarHBondContact O-N 2.75Å |
| 208 | I | 95.6 | Very high | 94 | Very high | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -69.2 | -32.9 | -176.4 | -172 | 55 | 0 | 0 | 0 | 112.3 | L194 L196 N206 R211 L212 L224 L240 I243 | L194-I208 HydrophobicContact CD1-CD1 4.19Å; L196-I208 HydrophobicContact CD2-CB 4.09Å; L196-I208 HydrophobicContact CD2-CD1 4.44Å; L196-I208 HydrophobicContact CD2-CG1 4.2Å; N206-I208 VanDerWaalsContact C-N 3.3Å; N206-I208 PolarHBondContact O-N 3.12Å; I208-R211 PolarHBondContact O-N 2.87Å; I208-L212 HydrophobicContact CD1-CD1 4.28Å; I208-L212 HydrophobicContact CD1-CG 4.11Å; I208-L212 HydrophobicContact CG1-CD1 3.98Å; I208-L212 HydrophobicContact CG1-CG 4.32Å; I208-L212 WeakPolarHBondContact O-CB 3.49Å; I208-L212 VanDerWaalsContact O-CG 3.27Å; I208-L212 WeakPolarHBondContact O-CG 3.43Å; I208-L212 PolarHBondContact O-N 3.44Å; I208-L224 HydrophobicContact CD1-CD1 3.56Å; I208-L224 HydrophobicContact CD1-CD2 4.08Å; I208-L224 HydrophobicContact CD1-CG 4.48Å; I208-L224 HydrophobicContact CG1-CD1 4.43Å; I208-L224 HydrophobicContact CG1-CD2 4.09Å; I208-L240 HydrophobicContact CG2-CD2 4.11Å; I208-I243 HydrophobicContact CG2-CD1 4.31Å |
| 209 | H | 94.3 | Very high | 93.8 | Very high | 95 Ų | 95 | 73.9 Ų | 73.9 | 44% | 0.44 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.4 | -46 | 176.2 | -66.4 | -84.2 | 0 | 0 | 0 | 111.3 | N206 Y207 L212 K213 I243 | N206-H209 WeakPolarHBondContact O-CB 3.38Å; N206-H209 PolarHBondContact O-N 2.85Å; N206-H209 VanDerWaalsContact O-N 3.07Å; Y207-H209 VanDerWaalsContact C-N 3.33Å; Y207-H209 PolarHBondContact O-N 3.1Å; H209-L212 PolarHBondContact O-N 2.9Å; H209-K213 WeakPolarHBondContact O-CB 3.15Å; H209-K213 PolarHBondContact O-N 2.97Å; H209-I243 WeakPolarHBondContact NE2-CD1 3.35Å |
| 210 | D | 95.1 | Very high | 93.7 | Very high | 88 Ų | 88 | 70.9 Ų | 70.9 | 47% | 0.471 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 177.7 | -68.6 | -37.7 | 0 | 0 | 0 | 111.9 | N206 Y207 K213 Q214 | N206-D210 PolarHBondContact O-N 2.71Å; Y207-D210 PolarHBondContact O-N 2.91Å; D210-K213 PolarHBondContact O-N 3.36Å; D210-Q214 VanDerWaalsContact O-CG 3.27Å; D210-Q214 WeakPolarHBondContact O-CG 3.23Å; D210-Q214 PolarHBondContact O-N 3.36Å |
| 211 | R | 95.1 | Very high | 93.7 | Very high | 9 Ų | 9 | 68.9 Ų | 68.9 | 3% | 0.034 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 176.8 | -67.7 | -68.4 | -69.7 | 142.3 | -4.3 | 112.7 | R161 V182 D184 L194 Y207 I208 Q214 L215 | R161-R211 VanDerWaalsContact NH1-CZ 3.34Å; V182-R211 VanDerWaalsContact O-CZ 3.23Å; V182-R211 PolarHBondContact O-NH1 2.92Å; V182-R211 PolarHBondContact O-NH2 3.44Å; D184-R211 IonicContact OD1-CZ 3.15Å; D184-R211 IonicContact OD1-NH2 3.68Å; D184-R211 PolarHBondContact OD1-NH2 3.39Å; D184-R211 IonicContact OD2-NH2 2.67Å; L194-R211 HydrophobicContact CD1-CB 4.35Å; Y207-R211 HydrophobicContact CD1-CG 4.24Å; Y207-R211 HydrophobicContact CD2-CG 4.05Å; Y207-R211 HydrophobicContact CE1-CG 3.87Å; Y207-R211 HydrophobicContact CE2-CG 3.64Å; Y207-R211 HydrophobicContact CG-CG 4.33Å; Y207-R211 WeakPolarHBondContact O-CG 3.39Å; Y207-R211 PolarHBondContact O-N 2.75Å; I208-R211 PolarHBondContact O-N 2.87Å; R211-Q214 PolarHBondContact O-N 3.05Å; R211-L215 WeakPolarHBondContact O-CB 3.43Å; R211-L215 PolarHBondContact O-N 3.31Å |
| 212 | L | 93.9 | Very high | 93.6 | Very high | 20 Ų | 20 | 70.2 Ų | 70.2 | 11% | 0.105 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 173.9 | -72.7 | 169.6 | 0 | 0 | 0 | 111.6 | L194 I208 H209 L215 G216 I243 A247 C249 | L194-L212 HydrophobicContact CD1-CD2 3.77Å; L194-L212 HydrophobicContact CD1-CG 4.25Å; I208-L212 HydrophobicContact CD1-CD1 4.28Å; I208-L212 HydrophobicContact CD1-CG 4.11Å; I208-L212 HydrophobicContact CG1-CD1 3.98Å; I208-L212 HydrophobicContact CG1-CG 4.32Å; I208-L212 WeakPolarHBondContact O-CB 3.49Å; I208-L212 VanDerWaalsContact O-CG 3.27Å; I208-L212 WeakPolarHBondContact O-CG 3.43Å; I208-L212 PolarHBondContact O-N 3.44Å; H209-L212 PolarHBondContact O-N 2.9Å; L212-L215 PolarHBondContact O-N 3.2Å; L212-G216 PolarHBondContact O-N 2.97Å; L212-I243 HydrophobicContact CD1-CG2 3.64Å; L212-A247 HydrophobicContact CD1-CB 4.03Å; L212-C249 VanDerWaalsContact CD2-SG 3.59Å |
| 213 | K | 93.6 | Very high | 93.7 | Very high | 172 Ų | 172 | 66.2 Ų | 66.2 | 75% | 0.748 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.2 | -39.2 | 175 | -173.7 | 179.7 | 178.5 | -176.2 | 0 | 112.6 | H209 D210 | H209-K213 WeakPolarHBondContact O-CB 3.15Å; H209-K213 PolarHBondContact O-N 2.97Å; D210-K213 PolarHBondContact O-N 3.36Å |
| 214 | Q | 93.6 | Very high | 93.8 | Very high | 116 Ų | 116 | 60 Ų | 60 | 54% | 0.542 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.9 | -38.6 | 173.9 | -73.2 | 166.9 | 8.2 | 0 | 0 | 112.6 | V182 D210 R211 | V182-Q214 HydrophobicContact CG1-CB 4.2Å; D210-Q214 VanDerWaalsContact O-CG 3.27Å; D210-Q214 WeakPolarHBondContact O-CG 3.23Å; D210-Q214 PolarHBondContact O-N 3.36Å; R211-Q214 PolarHBondContact O-N 3.05Å |
| 215 | L | 92.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.8 | -34.8 | -179.7 | -175.5 | 63.7 | 0 | 0 | 0 | 112.9 | V182 P183 L194 R211 L212 T218 F219 R222 | V182-L215 HydrophobicContact CG1-CD1 4.49Å; P183-L215 HydrophobicContact CB-CD1 3.89Å; P183-L215 HydrophobicContact CG-CD1 4.23Å; L194-L215 HydrophobicContact CD1-CD2 3.96Å; L194-L215 HydrophobicContact CG-CD2 4.11Å; R211-L215 WeakPolarHBondContact O-CB 3.43Å; R211-L215 PolarHBondContact O-N 3.31Å; L212-L215 PolarHBondContact O-N 3.2Å; L215-T218 PolarHBondContact O-OG1 3.07Å; L215-F219 HydrophobicContact CD1-CD2 3.77Å; L215-F219 HydrophobicContact CD1-CE2 3.98Å; L215-R222 HydrophobicContact CD2-CB 4.48Å; L215-R222 HydrophobicContact CD2-CG 4.09Å |
| 216 | G | 89.8 | Confident | 94.2 | Very high | 32 Ų | 32 | 54 Ų | 54 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | -138.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L212 R222 | L212-G216 PolarHBondContact O-N 2.97Å; G216-R222 PolarHBondContact O-NH1 3.49Å |
| 217 | S | 87.2 | Confident | 94.3 | Very high | 111 Ų | 111 | 50 Ų | 50 | 78% | 0.776 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | 22.5 | 178.9 | 53.7 | 0 | 0 | 0 | 0 | 113.3 | F219 | S217-F219 PolarHBondContact O-N 2.8Š|
| 218 | T | 89.4 | Confident | 94.4 | Very high | 81 Ų | 81 | 48.4 Ų | 48.4 | 50% | 0.497 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -64.1 | -24.8 | -176.4 | -52.6 | 0 | 0 | 0 | 0 | 113.9 | P147 L215 | P147-T218 HydrophobicContact CB-CG2 4.4Å; P147-T218 HydrophobicContact CG-CG2 4.11Å; L215-T218 PolarHBondContact O-OG1 3.07Å |
| 219 | F | 93.1 | Very high | 94.4 | Very high | 16 Ų | 16 | 51.1 Ų | 51.1 | 7% | 0.07 | 28% | 0.277 | C | S | . | . | trans | -123 | 139.9 | -179.4 | -63.9 | -89.6 | 0 | 0 | 0 | 110.4 | P147 P183 V186 C192 L215 S217 R222 | P147-F219 HydrophobicContact CG-CE1 4.02Å; P147-F219 HydrophobicContact CG-CZ 4.16Å; P183-F219 HydrophobicContact CG-CE2 3.86Å; P183-F219 HydrophobicContact CG-CZ 4.08Å; V186-F219 HydrophobicContact CG1-CE1 4.06Å; V186-F219 HydrophobicContact CG1-CZ 4.48Å; V186-F219 HydrophobicContact CG2-CZ 4.14Å; C192-F219 HydrophobicContact CB-CB 4.34Å; C192-F219 HydrophobicContact CB-CD1 3.87Å; C192-F219 HydrophobicContact CB-CD2 3.85Å; C192-F219 HydrophobicContact CB-CE1 4.08Å; C192-F219 HydrophobicContact CB-CE2 4.06Å; C192-F219 HydrophobicContact CB-CG 3.75Å; C192-F219 HydrophobicContact CB-CZ 4.17Å; C192-F219 VanDerWaalsContact SG-CD2 3.54Å; C192-F219 VanDerWaalsContact SG-CG 3.54Å; L215-F219 HydrophobicContact CD1-CD2 3.77Å; L215-F219 HydrophobicContact CD1-CE2 3.98Å; S217-F219 PolarHBondContact O-N 2.8Å; F219-R222 HydrophobicContact CB-CG 3.99Å; F219-R222 WeakPolarHBondContact O-CD 3.36Å; F219-R222 WeakPolarHBondContact O-CG 3.29Å | ||
| 220 | T | 93.4 | Very high | 94.4 | Very high | 122 Ų | 122 | 48.7 Ų | 48.7 | 75% | 0.748 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -71.5 | -46.9 | 178.1 | -46.1 | 0 | 0 | 0 | 0 | 111.2 | T190 | T190-T220 PolarHBondContact O-N 3.36Š|
| 221 | L | 94.1 | Very high | 94.3 | Very high | 60 Ų | 60 | 54.9 Ų | 54.9 | 31% | 0.314 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 109.9 | 175.9 | -179.5 | 57.4 | 0 | 0 | 0 | 109.7 | T190 T191 C192 V223 Y267 | T190-L221 PolarHBondContact O-N 3.32Å; T191-L221 WeakPolarHBondContact CA-O 3.36Å; T191-L221 HydrophobicContact CG2-CB 4.11Å; T191-L221 HydrophobicContact CG2-CD2 3.77Å; T191-L221 HydrophobicContact CG2-CG 3.95Å; C192-L221 PolarHBondContact N-O 3.29Å; L221-V223 HydrophobicContact CD1-CG2 4.41Å; L221-V223 HydrophobicContact CG-CG2 4.19Å; L221-Y267 HydrophobicContact CD2-CD1 4.48Å; L221-Y267 HydrophobicContact CD2-CE1 4.15Å |
| 222 | R | 96.1 | Very high | 94.3 | Very high | 39 Ų | 39 | 59.4 Ų | 59.4 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 106.1 | 179.8 | -66.8 | 170.3 | -65 | 153.8 | 15.3 | 108.8 | L215 G216 F219 A247 D248 C249 T250 | L215-R222 HydrophobicContact CD2-CB 4.48Å; L215-R222 HydrophobicContact CD2-CG 4.09Å; G216-R222 PolarHBondContact O-NH1 3.49Å; F219-R222 HydrophobicContact CB-CG 3.99Å; F219-R222 WeakPolarHBondContact O-CD 3.36Å; F219-R222 WeakPolarHBondContact O-CG 3.29Å; R222-A247 VanDerWaalsContact CZ-O 3.29Å; R222-A247 PolarHBondContact NH1-O 3.2Å; R222-A247 PolarHBondContact NH2-O 3.19Å; R222-D248 VanDerWaalsContact NH2-CB 3.29Å; R222-D248 PolarHBondContact NH2-O 3Å; R222-C249 CarbonylContact O-C 3.56Å; R222-C249 WeakPolarHBondContact O-CA 3.37Å; R222-T250 PolarHBondContact O-N 2.98Å |
| 223 | V | 97.2 | Very high | 94.3 | Very high | 6 Ų | 6 | 58.9 Ų | 58.9 | 4% | 0.036 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 130.1 | 179.5 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | C192 A193 L194 L221 T250 I252 Y267 | C192-V223 PolarHBondContact O-N 3.12Å; A193-V223 CarbonylContact C-O 3.54Å; A193-V223 VanDerWaalsContact CA-O 3.25Å; A193-V223 WeakPolarHBondContact CA-O 3.29Å; A193-V223 HydrophobicContact CB-CB 4.05Å; A193-V223 HydrophobicContact CB-CG1 4.47Å; L194-V223 PolarHBondContact N-O 3.2Å; L221-V223 HydrophobicContact CD1-CG2 4.41Å; L221-V223 HydrophobicContact CG-CG2 4.19Å; V223-T250 CarbonylContact C-O 3.58Å; V223-T250 WeakPolarHBondContact CA-O 3.43Å; V223-I252 HydrophobicContact CG1-CB 4.17Å; V223-I252 HydrophobicContact CG1-CG1 3.72Å; V223-Y267 HydrophobicContact CG1-CE2 4.1Å; V223-Y267 HydrophobicContact CG2-CE1 4.03Å; V223-Y267 HydrophobicContact CG2-CE2 4.08Å |
| 224 | L | 97.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 103.1 | 163.6 | -176.4 | 58.6 | 0 | 0 | 0 | 108.2 | L194 L196 I208 V226 L240 C244 T250 L251 I252 | L194-L224 HydrophobicContact CB-CD1 3.83Å; L196-L224 HydrophobicContact CB-CD1 4.26Å; I208-L224 HydrophobicContact CD1-CD1 3.56Å; I208-L224 HydrophobicContact CD1-CD2 4.08Å; I208-L224 HydrophobicContact CD1-CG 4.48Å; I208-L224 HydrophobicContact CG1-CD1 4.43Å; I208-L224 HydrophobicContact CG1-CD2 4.09Å; L224-V226 HydrophobicContact CD2-CG2 4.06Å; L224-V226 HydrophobicContact CG-CG2 3.76Å; L224-L240 HydrophobicContact CD2-CD2 4.36Å; L224-C244 VanDerWaalsContact CD2-SG 3.55Å; L224-T250 PolarHBondContact N-O 3.02Å; L224-L251 HydrophobicContact CD2-CD1 4.42Å; L224-L251 HydrophobicContact CG-CD1 4.49Å; L224-I252 PolarHBondContact O-N 3.02Å |
| 225 | L | 97.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 106.4 | 178.1 | 179.4 | 58.8 | 0 | 0 | 0 | 109.1 | L194 F195 L196 I252 A254 A260 Y263 L264 | L194-L225 PolarHBondContact O-N 2.7Å; F195-L225 WeakPolarHBondContact CA-O 3.45Å; F195-L225 HydrophobicContact CD2-CG 4.47Å; L196-L225 PolarHBondContact N-O 2.87Å; L225-I252 HydrophobicContact CD1-CB 4.3Å; L225-I252 HydrophobicContact CD1-CG2 3.88Å; L225-A254 HydrophobicContact CD1-CB 4.28Å; L225-A260 HydrophobicContact CD1-CB 4.42Å; L225-A260 HydrophobicContact CD2-CB 4.13Å; L225-A260 HydrophobicContact CG-CB 4.46Å; L225-Y263 HydrophobicContact CD1-CD2 3.97Å; L225-L264 HydrophobicContact CD2-CD1 4.4Å; L225-L264 HydrophobicContact CD2-CD2 3.82Å; L225-L264 HydrophobicContact CD2-CG 3.96Å |
| 226 | V | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 120.2 | -175.7 | -177.7 | 0 | 0 | 0 | 0 | 110.6 | L196 L198 L224 L237 L240 L251 I252 L253 A254 | L196-V226 CarbonylContact O-C 3.53Å; L196-V226 VanDerWaalsContact O-CA 3.25Å; L196-V226 WeakPolarHBondContact O-CA 3.33Å; L198-V226 HydrophobicContact CD1-CG1 3.54Å; L224-V226 HydrophobicContact CD2-CG2 4.06Å; L224-V226 HydrophobicContact CG-CG2 3.76Å; V226-L237 HydrophobicContact CG1-CD2 4.33Å; V226-L240 HydrophobicContact CG1-CD1 4.17Å; V226-L240 HydrophobicContact CG2-CD1 4.32Å; V226-L251 HydrophobicContact CB-CD1 4.22Å; V226-L251 HydrophobicContact CG2-CD1 3.44Å; V226-L251 VanDerWaalsContact CG2-CD1 3.44Å; V226-I252 PolarHBondContact N-O 3.35Å; V226-L253 HydrophobicContact CB-CD2 3.97Å; V226-L253 HydrophobicContact CG1-CD2 4.45Å; V226-L253 CarbonylContact O-C 3.6Å; V226-L253 WeakPolarHBondContact O-CA 3.39Å; V226-A254 PolarHBondContact O-N 2.84Å |
| 227 | Q | 97.2 | Very high | 94.9 | Very high | 30 Ų | 30 | 57.9 Ų | 57.9 | 14% | 0.14 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 121.6 | 170.9 | -179.3 | -179.6 | -25.9 | 0 | 0 | 110.3 | F195 L196 L198 D229 A254 | F195-Q227 HydrophobicContact CE2-CB 3.8Å; F195-Q227 HydrophobicContact CZ-CB 4.08Å; L196-Q227 PolarHBondContact O-N 3.49Å; L198-Q227 WeakPolarHBondContact CB-O 3.43Å; L198-Q227 PolarHBondContact N-O 3.07Å; Q227-D229 HydrophobicContact CG-CB 4.45Å; Q227-D229 PolarHBondContact O-N 2.99Å; Q227-A254 CarbonylContact C-O 3.54Å; Q227-A254 WeakPolarHBondContact CA-O 3.38Å |
| 228 | V | 97.2 | Very high | 95.3 | Very high | 10 Ų | 10 | 60.3 Ų | 60.3 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | trans | -86.8 | 91.3 | 178.8 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | L198 P233 L253 A254 W255 | L198-V228 HydrophobicContact CD2-CG1 4.41Å; V228-P233 HydrophobicContact CG1-CB 3.73Å; V228-P233 HydrophobicContact CG1-CG 4.07Å; V228-L253 HydrophobicContact CG2-CB 4.36Å; V228-A254 PolarHBondContact N-O 2.85Å; V228-W255 HydrophobicContact CB-CD2 4.33Å; V228-W255 HydrophobicContact CB-CE3 4.01Å; V228-W255 HydrophobicContact CB-CZ3 4.24Å; V228-W255 HydrophobicContact CG1-CD2 4.5Å; V228-W255 HydrophobicContact CG1-CE3 3.81Å; V228-W255 HydrophobicContact CG1-CH2 4.02Å; V228-W255 HydrophobicContact CG1-CZ3 3.54Å | ||
| 229 | D | 95.4 | Very high | 95.6 | Very high | 60 Ų | 60 | 60.8 Ų | 60.8 | 32% | 0.321 | 30% | 0.298 | S | S | . | . | trans | -115.8 | 22.1 | -176.5 | 62.9 | -16 | 0 | 0 | 0 | 113.5 | S197 L198 R199 Q227 | S197-D229 WeakPolarHBondContact CB-OD2 3.33Å; S197-D229 VanDerWaalsContact OG-CG 3.3Å; S197-D229 PolarHBondContact OG-OD1 3.22Å; S197-D229 PolarHBondContact OG-OD2 2.85Å; L198-D229 PolarHBondContact N-OD1 2.8Å; L198-D229 VanDerWaalsContact N-OD1 3.11Å; R199-D229 WeakPolarHBondContact CB-OD1 3.44Å; R199-D229 WeakPolarHBondContact CB-OD2 3.49Å; R199-D229 PolarHBondContact N-OD1 2.81Å; Q227-D229 HydrophobicContact CG-CB 4.45Å; Q227-D229 PolarHBondContact O-N 2.99Å | ||
| 230 | V | 95.4 | Very high | 95.8 | Very high | 43 Ų | 43 | 60 Ų | 60 | 26% | 0.261 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -127.4 | 144.8 | -178.2 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | L198 R199 | L198-V230 HydrophobicContact CB-CG2 4.13Å; L198-V230 HydrophobicContact CD2-CB 4.41Å; R199-V230 HydrophobicContact CB-CG2 3.82Å |
| 231 | K | 93.1 | Very high | 96 | Very high | 219 Ų | 219 | 56 Ų | 56 | 95% | 0.952 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -65.9 | -38.1 | -176.7 | -69.3 | -173.1 | 177.4 | -176.8 | 0 | 114.4 | P233 | K231-P233 WeakPolarHBondContact O-CD 3.43Š|
| 232 | D | 94.2 | Very high | 96.1 | Very high | 103 Ų | 103 | 61.8 Ų | 61.8 | 55% | 0.551 | 29% | 0.291 | S | S | * | . | trans | -115.1 | 96.8 | 173.1 | 179.2 | 11.7 | 0 | 0 | 0 | 109.2 | H234 | D232-H234 IonicContact OD1-CD2 3.88Å; D232-H234 PolarHBondContact OD1-CD2 3.18Å; D232-H234 IonicContact OD1-CG 2.7Å; D232-H234 PolarHBondContact OD1-N 3.02Å | ||
| 233 | P | 94.6 | Very high | 96 | Very high | 10 Ų | 10 | 61 Ų | 61 | 7% | 0.065 | 29% | 0.29 | C | S | . | . | trans | -91.1 | -7.5 | -179.2 | 37.3 | -36.8 | 0 | 0 | 0 | 113.2 | L198 V228 K231 H235 A236 L237 | L198-P233 HydrophobicContact CD2-CB 3.34Å; V228-P233 HydrophobicContact CG1-CB 3.73Å; V228-P233 HydrophobicContact CG1-CG 4.07Å; K231-P233 WeakPolarHBondContact O-CD 3.43Å; P233-H235 PolarHBondContact O-N 3.02Å; P233-A236 PolarHBondContact O-N 3.04Å; P233-L237 HydrophobicContact CB-CD1 3.79Å; P233-L237 HydrophobicContact CB-CG 4.12Å; P233-L237 HydrophobicContact CG-CD1 4.25Å; P233-L237 VanDerWaalsContact O-CB 3.31Å; P233-L237 WeakPolarHBondContact O-CB 3.47Å; P233-L237 VanDerWaalsContact O-CG 3.24Å; P233-L237 WeakPolarHBondContact O-CG 3.38Å; P233-L237 PolarHBondContact O-N 3.25Å | ||
| 234 | H | 94.9 | Very high | 96 | Very high | 147 Ų | 147 | 60.9 Ų | 60.9 | 68% | 0.681 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.8 | -39.6 | -162.6 | -67.7 | -70.9 | 0 | 0 | 0 | 113.7 | D232 K238 | D232-H234 IonicContact OD1-CD2 3.88Å; D232-H234 PolarHBondContact OD1-CD2 3.18Å; D232-H234 IonicContact OD1-CG 2.7Å; D232-H234 PolarHBondContact OD1-N 3.02Å; H234-K238 WeakPolarHBondContact O-CB 3.39Å; H234-K238 PolarHBondContact O-N 3.29Å |
| 235 | H | 94.5 | Very high | 95.9 | Very high | 121 Ų | 121 | 66.3 Ų | 66.3 | 56% | 0.56 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -67.7 | -55.7 | 178.2 | -164.9 | -79.2 | 0 | 0 | 0 | 111.6 | P233 L237 K238 E239 | P233-H235 PolarHBondContact O-N 3.02Å; H235-L237 VanDerWaalsContact C-N 3.31Å; H235-L237 PolarHBondContact O-N 2.89Å; H235-K238 WeakPolarHBondContact O-CB 3.46Å; H235-K238 PolarHBondContact O-N 2.77Å; H235-K238 VanDerWaalsContact O-N 3.08Å; H235-E239 IonicContact CE1-OE1 3.98Å; H235-E239 PolarHBondContact CE1-OE1 3.1Å; H235-E239 IonicContact CE1-OE2 3.34Å; H235-E239 PolarHBondContact CE1-OE2 3.4Å; H235-E239 VanDerWaalsContact ND1-CD 3.32Å; H235-E239 IonicContact ND1-OE1 2.98Å; H235-E239 IonicContact ND1-OE2 3.82Å; H235-E239 PolarHBondContact ND1-OE2 3.43Å; H235-E239 PolarHBondContact O-N 2.76Å; H235-E239 VanDerWaalsContact O-N 3.1Å |
| 236 | A | 95.2 | Very high | 95.7 | Very high | 6 Ų | 6 | 72.9 Ų | 72.9 | 5% | 0.05 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.5 | -40.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L198 P233 E239 L240 | L198-A236 HydrophobicContact CD1-CB 4.03Å; L198-A236 HydrophobicContact CD2-CB 4.16Å; L198-A236 HydrophobicContact CG-CB 3.94Å; P233-A236 PolarHBondContact O-N 3.04Å; A236-E239 PolarHBondContact O-N 2.99Å; A236-L240 WeakPolarHBondContact O-CB 3.46Å; A236-L240 VanDerWaalsContact O-CG 3.29Å; A236-L240 WeakPolarHBondContact O-CG 3.47Å; A236-L240 PolarHBondContact O-N 3.37Å |
| 237 | L | 96.8 | Very high | 95.5 | Very high | 27 Ų | 27 | 74.2 Ų | 74.2 | 14% | 0.141 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.8 | -35.8 | 176.3 | -70.8 | -179.8 | 0 | 0 | 0 | 112.9 | L198 V226 P233 H235 E239 A241 L253 | L198-L237 HydrophobicContact CD1-CD2 3.81Å; L198-L237 HydrophobicContact CD1-CG 4.32Å; L198-L237 HydrophobicContact CD2-CG 4.31Å; V226-L237 HydrophobicContact CG1-CD2 4.33Å; P233-L237 HydrophobicContact CB-CD1 3.79Å; P233-L237 HydrophobicContact CB-CG 4.12Å; P233-L237 HydrophobicContact CG-CD1 4.25Å; P233-L237 VanDerWaalsContact O-CB 3.31Å; P233-L237 WeakPolarHBondContact O-CB 3.47Å; P233-L237 VanDerWaalsContact O-CG 3.24Å; P233-L237 WeakPolarHBondContact O-CG 3.38Å; P233-L237 PolarHBondContact O-N 3.25Å; H235-L237 VanDerWaalsContact C-N 3.31Å; H235-L237 PolarHBondContact O-N 2.89Å; L237-E239 VanDerWaalsContact C-N 3.34Å; L237-A241 WeakPolarHBondContact O-CB 3.48Å; L237-A241 PolarHBondContact O-N 2.94Å; L237-L253 HydrophobicContact CD1-CD1 3.87Å; L237-L253 HydrophobicContact CD2-CD1 4.12Å; L237-L253 HydrophobicContact CD2-CD2 3.52Å; L237-L253 HydrophobicContact CD2-CG 4.48Å |
| 238 | K | 96.6 | Very high | 95.4 | Very high | 162 Ų | 162 | 79 Ų | 79 | 70% | 0.704 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.2 | -40.3 | 174.9 | -178.8 | -174.6 | 176.3 | -173 | 0 | 111.5 | H234 H235 R242 | H234-K238 WeakPolarHBondContact O-CB 3.39Å; H234-K238 PolarHBondContact O-N 3.29Å; H235-K238 WeakPolarHBondContact O-CB 3.46Å; H235-K238 PolarHBondContact O-N 2.77Å; H235-K238 VanDerWaalsContact O-N 3.08Å; K238-R242 PolarHBondContact O-N 3.49Å |
| 239 | E | 95.3 | Very high | 95.2 | Very high | 92 Ų | 92 | 79.3 Ų | 79.3 | 43% | 0.43 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.8 | -48.9 | 176.8 | -67.6 | 176.8 | 123.4 | 0 | 0 | 111.5 | H235 A236 L237 A241 R242 I243 | H235-E239 IonicContact CE1-OE1 3.98Å; H235-E239 PolarHBondContact CE1-OE1 3.1Å; H235-E239 IonicContact CE1-OE2 3.34Å; H235-E239 PolarHBondContact CE1-OE2 3.4Å; H235-E239 VanDerWaalsContact ND1-CD 3.32Å; H235-E239 IonicContact ND1-OE1 2.98Å; H235-E239 IonicContact ND1-OE2 3.82Å; H235-E239 PolarHBondContact ND1-OE2 3.43Å; H235-E239 PolarHBondContact O-N 2.76Å; H235-E239 VanDerWaalsContact O-N 3.1Å; A236-E239 PolarHBondContact O-N 2.99Å; L237-E239 VanDerWaalsContact C-N 3.34Å; E239-A241 VanDerWaalsContact C-N 3.32Å; E239-A241 PolarHBondContact O-N 3.36Å; E239-R242 WeakPolarHBondContact O-CB 3.25Å; E239-R242 PolarHBondContact O-N 3.26Å; E239-R242 VanDerWaalsContact O-N 3.14Å; E239-I243 WeakPolarHBondContact O-CG1 3.35Å; E239-I243 PolarHBondContact O-N 2.73Å |
| 240 | L | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 176 | -72.1 | 171.8 | 0 | 0 | 0 | 112.6 | L196 L198 I208 L224 V226 A236 I243 C244 | L196-L240 HydrophobicContact CD2-CD1 4.17Å; L196-L240 HydrophobicContact CD2-CD2 3.72Å; L198-L240 HydrophobicContact CD1-CD1 3.58Å; I208-L240 HydrophobicContact CG2-CD2 4.11Å; L224-L240 HydrophobicContact CD2-CD2 4.36Å; V226-L240 HydrophobicContact CG1-CD1 4.17Å; V226-L240 HydrophobicContact CG2-CD1 4.32Å; A236-L240 WeakPolarHBondContact O-CB 3.46Å; A236-L240 VanDerWaalsContact O-CG 3.29Å; A236-L240 WeakPolarHBondContact O-CG 3.47Å; A236-L240 PolarHBondContact O-N 3.37Å; L240-I243 HydrophobicContact CD2-CD1 4.44Å; L240-I243 PolarHBondContact O-N 2.83Å; L240-C244 WeakPolarHBondContact O-CB 3.34Å; L240-C244 PolarHBondContact O-N 3.02Å; L240-C244 PolarHBondContact O-SG 3.28Å |
| 241 | A | 97.1 | Very high | 95.4 | Very high | 37 Ų | 37 | 79.6 Ų | 79.6 | 31% | 0.306 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L237 E239 I243 C244 V245 L251 | L237-A241 WeakPolarHBondContact O-CB 3.48Å; L237-A241 PolarHBondContact O-N 2.94Å; E239-A241 VanDerWaalsContact C-N 3.32Å; E239-A241 PolarHBondContact O-N 3.36Å; A241-I243 PolarHBondContact O-N 2.72Å; A241-C244 PolarHBondContact O-N 3.31Å; A241-V245 WeakPolarHBondContact O-CG2 3.4Å; A241-V245 PolarHBondContact O-N 3.15Å; A241-L251 HydrophobicContact CB-CD2 3.96Å |
| 242 | R | 96.9 | Very high | 95.6 | Very high | 181 Ų | 181 | 71 Ų | 71 | 68% | 0.683 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.5 | -43.5 | 174.1 | -175 | -177.6 | -179.1 | 178.6 | 2.9 | 111.6 | K238 E239 V245 M246 | K238-R242 PolarHBondContact O-N 3.49Å; E239-R242 WeakPolarHBondContact O-CB 3.25Å; E239-R242 PolarHBondContact O-N 3.26Å; E239-R242 VanDerWaalsContact O-N 3.14Å; R242-V245 PolarHBondContact O-N 3.01Å; R242-M246 HydrophobicContact CG-SD 4.06Å; R242-M246 WeakPolarHBondContact O-CG 3.48Å; R242-M246 PolarHBondContact O-N 3.3Å |
| 243 | I | 95.3 | Very high | 95.8 | Very high | 23 Ų | 23 | 68.8 Ų | 68.8 | 12% | 0.118 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 176.5 | -66 | 164.1 | 0 | 0 | 0 | 110.6 | I208 H209 L212 E239 L240 A241 V245 M246 A247 | I208-I243 HydrophobicContact CG2-CD1 4.31Å; H209-I243 WeakPolarHBondContact NE2-CD1 3.35Å; L212-I243 HydrophobicContact CD1-CG2 3.64Å; E239-I243 WeakPolarHBondContact O-CG1 3.35Å; E239-I243 PolarHBondContact O-N 2.73Å; L240-I243 HydrophobicContact CD2-CD1 4.44Å; L240-I243 PolarHBondContact O-N 2.83Å; A241-I243 PolarHBondContact O-N 2.72Å; I243-V245 PolarHBondContact O-N 2.95Å; I243-M246 PolarHBondContact O-N 3.16Å; I243-A247 VanDerWaalsContact O-CB 3.28Å; I243-A247 WeakPolarHBondContact O-CB 2.94Å; I243-A247 PolarHBondContact O-N 2.9Å |
| 244 | C | 95.9 | Very high | 95.9 | Very high | 4 Ų | 4 | 68.3 Ų | 68.3 | 3% | 0.027 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 178.8 | -69.8 | 0 | 0 | 0 | 0 | 112.6 | L224 L240 A241 A247 D248 C249 L251 | L224-C244 VanDerWaalsContact CD2-SG 3.55Å; L240-C244 WeakPolarHBondContact O-CB 3.34Å; L240-C244 PolarHBondContact O-N 3.02Å; L240-C244 PolarHBondContact O-SG 3.28Å; A241-C244 PolarHBondContact O-N 3.31Å; C244-A247 PolarHBondContact O-N 3.01Å; C244-D248 PolarHBondContact O-N 3.02Å; C244-D248 VanDerWaalsContact O-N 3.1Å; C244-C249 HydrophobicContact CB-CB 4.38Å; C244-C249 WeakPolarHBondContact CB-O 3.28Å; C244-C249 PolarHBondContact O-N 3.32Å; C244-L251 HydrophobicContact CB-CB 4.19Å |
| 245 | V | 95.9 | Very high | 96 | Very high | 114 Ų | 114 | 69.4 Ų | 69.4 | 69% | 0.691 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.8 | -42.8 | 174.7 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | A241 R242 I243 A247 | A241-V245 WeakPolarHBondContact O-CG2 3.4Å; A241-V245 PolarHBondContact O-N 3.15Å; R242-V245 PolarHBondContact O-N 3.01Å; I243-V245 PolarHBondContact O-N 2.95Å; V245-A247 VanDerWaalsContact C-N 3.28Å; V245-A247 PolarHBondContact O-N 3.46Å |
| 246 | M | 94.2 | Very high | 96.1 | Very high | 142 Ų | 142 | 65.5 Ų | 65.5 | 70% | 0.7 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -71.1 | -21.8 | 179.3 | -70.9 | 178.1 | 62.8 | 0 | 0 | 114 | R242 I243 | R242-M246 HydrophobicContact CG-SD 4.06Å; R242-M246 WeakPolarHBondContact O-CG 3.48Å; R242-M246 PolarHBondContact O-N 3.3Å; I243-M246 PolarHBondContact O-N 3.16Å |
| 247 | A | 93.3 | Very high | 96.1 | Very high | 27 Ų | 27 | 66.8 Ų | 66.8 | 22% | 0.223 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 6.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L212 R222 I243 C244 V245 C249 | L212-A247 HydrophobicContact CD1-CB 4.03Å; R222-A247 VanDerWaalsContact CZ-O 3.29Å; R222-A247 PolarHBondContact NH1-O 3.2Å; R222-A247 PolarHBondContact NH2-O 3.19Å; I243-A247 VanDerWaalsContact O-CB 3.28Å; I243-A247 WeakPolarHBondContact O-CB 2.94Å; I243-A247 PolarHBondContact O-N 2.9Å; C244-A247 PolarHBondContact O-N 3.01Å; V245-A247 VanDerWaalsContact C-N 3.28Å; V245-A247 PolarHBondContact O-N 3.46Å; A247-C249 PolarHBondContact O-N 3.18Å; A247-C249 PolarHBondContact O-SG 3.34Å; A247-C249 VanDerWaalsContact O-SG 3.35Å |
| 248 | D | 94.3 | Very high | 96.1 | Very high | 132 Ų | 132 | 71.3 Ų | 71.3 | 71% | 0.706 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 50.4 | -173.9 | -66 | -48.5 | 0 | 0 | 0 | 113.1 | R222 C244 | R222-D248 VanDerWaalsContact NH2-CB 3.29Å; R222-D248 PolarHBondContact NH2-O 3Å; C244-D248 PolarHBondContact O-N 3.02Å; C244-D248 VanDerWaalsContact O-N 3.1Å |
| 249 | C | 94.6 | Very high | 96.1 | Very high | 16 Ų | 16 | 66.4 Ų | 66.4 | 11% | 0.108 | 34% | 0.337 | C | S | . | . | trans | -116.4 | 144.1 | 179.8 | -66.2 | 0 | 0 | 0 | 0 | 111.6 | L212 R222 C244 A247 | L212-C249 VanDerWaalsContact CD2-SG 3.59Å; R222-C249 CarbonylContact O-C 3.56Å; R222-C249 WeakPolarHBondContact O-CA 3.37Å; C244-C249 HydrophobicContact CB-CB 4.38Å; C244-C249 WeakPolarHBondContact CB-O 3.28Å; C244-C249 PolarHBondContact O-N 3.32Å; A247-C249 PolarHBondContact O-N 3.18Å; A247-C249 PolarHBondContact O-SG 3.34Å; A247-C249 VanDerWaalsContact O-SG 3.35Å | ||
| 250 | T | 96.4 | Very high | 96.2 | Very high | 60 Ų | 60 | 62 Ų | 62 | 37% | 0.368 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 111.8 | 175.5 | -52.2 | 0 | 0 | 0 | 0 | 110.1 | R222 V223 L224 I252 | R222-T250 PolarHBondContact O-N 2.98Å; V223-T250 CarbonylContact C-O 3.58Å; V223-T250 WeakPolarHBondContact CA-O 3.43Å; L224-T250 PolarHBondContact N-O 3.02Å; T250-I252 HydrophobicContact CG2-CD1 4.17Å; T250-I252 HydrophobicContact CG2-CG1 4.34Å |
| 251 | L | 97.5 | Very high | 96.2 | Very high | 48 Ų | 48 | 62 Ų | 62 | 25% | 0.251 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 122.7 | 173.5 | -179.6 | 59 | 0 | 0 | 0 | 110.4 | L224 V226 A241 C244 L253 | L224-L251 HydrophobicContact CD2-CD1 4.42Å; L224-L251 HydrophobicContact CG-CD1 4.49Å; V226-L251 HydrophobicContact CB-CD1 4.22Å; V226-L251 HydrophobicContact CG2-CD1 3.44Å; V226-L251 VanDerWaalsContact CG2-CD1 3.44Å; A241-L251 HydrophobicContact CB-CD2 3.96Å; C244-L251 HydrophobicContact CB-CB 4.19Å; L251-L253 HydrophobicContact CD1-CD2 3.77Å; L251-L253 HydrophobicContact CD2-CD2 4.15Å; L251-L253 HydrophobicContact CG-CD2 3.84Å |
| 252 | I | 97.9 | Very high | 96.2 | Very high | 38 Ų | 38 | 66.9 Ų | 66.9 | 20% | 0.195 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 130.5 | 171.4 | -61.4 | -64.9 | 0 | 0 | 0 | 108.2 | V223 L224 L225 V226 T250 Y263 Y267 | V223-I252 HydrophobicContact CG1-CB 4.17Å; V223-I252 HydrophobicContact CG1-CG1 3.72Å; L224-I252 PolarHBondContact O-N 3.02Å; L225-I252 HydrophobicContact CD1-CB 4.3Å; L225-I252 HydrophobicContact CD1-CG2 3.88Å; V226-I252 PolarHBondContact N-O 3.35Å; T250-I252 HydrophobicContact CG2-CD1 4.17Å; T250-I252 HydrophobicContact CG2-CG1 4.34Å; I252-Y263 HydrophobicContact CG2-CD2 3.64Å; I252-Y263 HydrophobicContact CG2-CE2 3.76Å; I252-Y263 HydrophobicContact CG2-CG 4.07Å; I252-Y267 HydrophobicContact CG1-CE2 4.4Å; I252-Y267 WeakPolarHBondContact CG1-OH 3.17Å |
| 253 | L | 97.7 | Very high | 96.2 | Very high | 57 Ų | 57 | 61.8 Ų | 61.8 | 30% | 0.298 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 138.8 | 179.8 | -52.4 | -173.8 | 0 | 0 | 0 | 109.9 | V226 V228 L237 L251 Y263 | V226-L253 HydrophobicContact CB-CD2 3.97Å; V226-L253 HydrophobicContact CG1-CD2 4.45Å; V226-L253 CarbonylContact O-C 3.6Å; V226-L253 WeakPolarHBondContact O-CA 3.39Å; V228-L253 HydrophobicContact CG2-CB 4.36Å; L237-L253 HydrophobicContact CD1-CD1 3.87Å; L237-L253 HydrophobicContact CD2-CD1 4.12Å; L237-L253 HydrophobicContact CD2-CD2 3.52Å; L237-L253 HydrophobicContact CD2-CG 4.48Å; L251-L253 HydrophobicContact CD1-CD2 3.77Å; L251-L253 HydrophobicContact CD2-CD2 4.15Å; L251-L253 HydrophobicContact CG-CD2 3.84Å; L253-Y263 WeakPolarHBondContact O-CE2 3.37Å |
| 254 | A | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 131.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L225 V226 Q227 V228 E259 A260 Y263 | L225-A254 HydrophobicContact CD1-CB 4.28Å; V226-A254 PolarHBondContact O-N 2.84Å; Q227-A254 CarbonylContact C-O 3.54Å; Q227-A254 WeakPolarHBondContact CA-O 3.38Å; V228-A254 PolarHBondContact N-O 2.85Å; A254-E259 WeakPolarHBondContact CA-OE2 3.4Å; A254-E259 HydrophobicContact CB-CB 4.36Å; A254-E259 HydrophobicContact CB-CG 4.34Å; A254-A260 HydrophobicContact CB-CB 3.73Å; A254-Y263 HydrophobicContact CB-CD2 4.28Å; A254-Y263 HydrophobicContact CB-CE2 4.1Å |
| 255 | W | 96.5 | Very high | 96.2 | Very high | 170 Ų | 170 | 61 Ų | 61 | 64% | 0.644 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -87.5 | -12.2 | 178 | -63.7 | 91 | 0 | 0 | 0 | 112.7 | V228 E259 | V228-W255 HydrophobicContact CB-CD2 4.33Å; V228-W255 HydrophobicContact CB-CE3 4.01Å; V228-W255 HydrophobicContact CB-CZ3 4.24Å; V228-W255 HydrophobicContact CG1-CD2 4.5Å; V228-W255 HydrophobicContact CG1-CE3 3.81Å; V228-W255 HydrophobicContact CG1-CH2 4.02Å; V228-W255 HydrophobicContact CG1-CZ3 3.54Å; W255-E259 PolarHBondContact N-OE2 3.42Å |
| 256 | S | 96.1 | Very high | 96.1 | Very high | 39 Ų | 39 | 58 Ų | 58 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -142.2 | 156.6 | 174.8 | 82.1 | 0 | 0 | 0 | 0 | 112.1 | E258 E259 A260 | S256-E258 PolarHBondContact O-N 2.86Å; S256-E258 PolarHBondContact OG-N 3.31Å; S256-E259 PolarHBondContact O-N 2.89Å; S256-E259 WeakPolarHBondContact OG-CB 3.35Å; S256-E259 PolarHBondContact OG-N 2.95Å; S256-A260 PolarHBondContact O-N 3.01Å |
| 257 | P | 95.9 | Very high | 96.1 | Very high | 33 Ų | 33 | 54 Ų | 54 | 21% | 0.214 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.5 | -19.7 | 172.7 | 28 | -35.5 | 0 | 0 | 0 | 112.9 | P166 I167 F170 G261 | P166-P257 HydrophobicContact CB-CB 4.34Å; P166-P257 HydrophobicContact CG-CB 4.2Å; I167-P257 HydrophobicContact CG1-CB 3.9Å; F170-P257 HydrophobicContact CD2-CB 4.26Å; F170-P257 HydrophobicContact CE2-CB 4.09Å; F170-P257 HydrophobicContact CE2-CG 3.94Å; P257-G261 PolarHBondContact O-N 3.14Å; P257-G261 VanDerWaalsContact O-N 3.09Å |
| 258 | E | 96.4 | Very high | 96.2 | Very high | 123 Ų | 123 | 53.7 Ų | 53.7 | 58% | 0.575 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -71.9 | -47.9 | 173.5 | 179.9 | 174.9 | -168.3 | 0 | 0 | 111.2 | F170 S256 A260 G261 R262 | F170-E258 HydrophobicContact CD1-CB 3.67Å; F170-E258 HydrophobicContact CD1-CG 3.74Å; F170-E258 HydrophobicContact CD2-CB 4.43Å; F170-E258 HydrophobicContact CE1-CB 3.87Å; F170-E258 HydrophobicContact CE1-CG 4.18Å; F170-E258 HydrophobicContact CG-CB 3.97Å; F170-E258 HydrophobicContact CG-CG 4.31Å; F170-E258 HydrophobicContact CZ-CB 4.34Å; S256-E258 PolarHBondContact O-N 2.86Å; S256-E258 PolarHBondContact OG-N 3.31Å; E258-A260 VanDerWaalsContact C-N 3.34Å; E258-A260 PolarHBondContact O-N 3.49Å; E258-G261 PolarHBondContact O-N 3.32Å; E258-R262 PolarHBondContact O-N 3.29Å |
| 259 | E | 97.3 | Very high | 96 | Very high | 58 Ų | 58 | 50.2 Ų | 50.2 | 27% | 0.271 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.2 | -43.3 | 175.2 | -173.8 | -177 | -159.3 | 0 | 0 | 111.1 | A254 W255 S256 G261 R262 Y263 | A254-E259 WeakPolarHBondContact CA-OE2 3.4Å; A254-E259 HydrophobicContact CB-CB 4.36Å; A254-E259 HydrophobicContact CB-CG 4.34Å; W255-E259 PolarHBondContact N-OE2 3.42Å; S256-E259 PolarHBondContact O-N 2.89Å; S256-E259 WeakPolarHBondContact OG-CB 3.35Å; S256-E259 PolarHBondContact OG-N 2.95Å; E259-G261 VanDerWaalsContact C-N 3.34Å; E259-G261 PolarHBondContact O-N 3.29Å; E259-R262 WeakPolarHBondContact O-CB 3.35Å; E259-R262 PolarHBondContact O-N 3.5Å; E259-R262 VanDerWaalsContact O-N 3.14Å; E259-Y263 HydrophobicContact CG-CD2 4.28Å; E259-Y263 HydrophobicContact CG-CE2 3.6Å; E259-Y263 WeakPolarHBondContact O-CD2 3.47Å; E259-Y263 PolarHBondContact O-N 2.89Å; E259-Y263 PolarHBondContact OE1-OH 2.74Å |
| 260 | A | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.5 | -43.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I167 L225 A254 S256 E258 Y263 L264 | I167-A260 HydrophobicContact CD1-CB 3.61Å; I167-A260 HydrophobicContact CG1-CB 3.94Å; L225-A260 HydrophobicContact CD1-CB 4.42Å; L225-A260 HydrophobicContact CD2-CB 4.13Å; L225-A260 HydrophobicContact CG-CB 4.46Å; A254-A260 HydrophobicContact CB-CB 3.73Å; S256-A260 PolarHBondContact O-N 3.01Å; E258-A260 VanDerWaalsContact C-N 3.34Å; E258-A260 PolarHBondContact O-N 3.49Å; A260-Y263 PolarHBondContact O-N 3.21Å; A260-L264 WeakPolarHBondContact O-CG 3.4Å; A260-L264 PolarHBondContact O-N 2.88Å |
| 261 | G | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P257 E258 E259 Y263 L264 E265 | P257-G261 PolarHBondContact O-N 3.14Å; P257-G261 VanDerWaalsContact O-N 3.09Å; E258-G261 PolarHBondContact O-N 3.32Å; E259-G261 VanDerWaalsContact C-N 3.34Å; E259-G261 PolarHBondContact O-N 3.29Å; G261-Y263 VanDerWaalsContact C-N 3.32Å; G261-Y263 PolarHBondContact O-N 3.35Å; G261-L264 PolarHBondContact O-N 2.85Å; G261-L264 VanDerWaalsContact O-N 3.17Å; G261-E265 WeakPolarHBondContact O-CG 3.41Å; G261-E265 PolarHBondContact O-N 3.32Å |
| 262 | R | 96.9 | Very high | 94.5 | Very high | 139 Ų | 139 | 61.8 Ų | 61.8 | 53% | 0.525 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.9 | -34 | 178.7 | -170 | 54.8 | 173 | 177.6 | -1.7 | 113 | S173 E258 E259 E265 T266 | S173-R262 PolarHBondContact OG-NH1 3.23Å; E258-R262 PolarHBondContact O-N 3.29Å; E259-R262 WeakPolarHBondContact O-CB 3.35Å; E259-R262 PolarHBondContact O-N 3.5Å; E259-R262 VanDerWaalsContact O-N 3.14Å; R262-E265 WeakPolarHBondContact CD-OE2 3.28Å; R262-E265 IonicContact CZ-OE2 3.04Å; R262-E265 IonicContact NE-OE2 3.18Å; R262-E265 IonicContact NH1-OE2 3.71Å; R262-E265 PolarHBondContact NH1-OE2 2.92Å; R262-T266 WeakPolarHBondContact O-CB 3.48Å; R262-T266 PolarHBondContact O-N 3.32Å; R262-T266 PolarHBondContact O-OG1 2.84Å |
| 263 | Y | 97.3 | Very high | 93.8 | Very high | 75 Ų | 75 | 64.3 Ų | 64.3 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 172.1 | -67.7 | -44.3 | 0 | 0 | 0 | 112.4 | L225 I252 L253 A254 E259 A260 G261 E265 T266 Y267 | L225-Y263 HydrophobicContact CD1-CD2 3.97Å; I252-Y263 HydrophobicContact CG2-CD2 3.64Å; I252-Y263 HydrophobicContact CG2-CE2 3.76Å; I252-Y263 HydrophobicContact CG2-CG 4.07Å; L253-Y263 WeakPolarHBondContact O-CE2 3.37Å; A254-Y263 HydrophobicContact CB-CD2 4.28Å; A254-Y263 HydrophobicContact CB-CE2 4.1Å; E259-Y263 HydrophobicContact CG-CD2 4.28Å; E259-Y263 HydrophobicContact CG-CE2 3.6Å; E259-Y263 WeakPolarHBondContact O-CD2 3.47Å; E259-Y263 PolarHBondContact O-N 2.89Å; E259-Y263 PolarHBondContact OE1-OH 2.74Å; A260-Y263 PolarHBondContact O-N 3.21Å; G261-Y263 VanDerWaalsContact C-N 3.32Å; G261-Y263 PolarHBondContact O-N 3.35Å; Y263-E265 PolarHBondContact O-N 3.37Å; Y263-T266 PolarHBondContact O-N 2.83Å; Y263-T266 VanDerWaalsContact O-N 3.15Å; Y263-Y267 VanDerWaalsContact O-CD2 3.26Å; Y263-Y267 WeakPolarHBondContact O-CD2 3.44Å; Y263-Y267 PolarHBondContact O-N 3.11Å |
| 264 | L | 96.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 176.6 | -61 | 173.2 | 0 | 0 | 0 | 111.7 | I156 I167 V171 Y185 L187 A193 L225 A260 G261 T266 Y267 K268 | I156-L264 HydrophobicContact CD1-CB 4.29Å; I167-L264 HydrophobicContact CG2-CD1 3.71Å; V171-L264 HydrophobicContact CG2-CB 4.44Å; V171-L264 HydrophobicContact CG2-CD1 4.24Å; Y185-L264 HydrophobicContact CD1-CD1 3.95Å; Y185-L264 HydrophobicContact CD2-CD1 4.33Å; Y185-L264 HydrophobicContact CD2-CD2 4.21Å; Y185-L264 HydrophobicContact CE1-CD1 3.84Å; Y185-L264 HydrophobicContact CE2-CD1 4.25Å; Y185-L264 HydrophobicContact CG-CD1 4.2Å; Y185-L264 HydrophobicContact CG-CD2 4.09Å; L187-L264 HydrophobicContact CD1-CD2 4.05Å; L187-L264 HydrophobicContact CD2-CB 4.08Å; L187-L264 HydrophobicContact CD2-CD2 3.9Å; L187-L264 HydrophobicContact CG-CD2 4.46Å; A193-L264 HydrophobicContact CB-CD2 4.09Å; L225-L264 HydrophobicContact CD2-CD1 4.4Å; L225-L264 HydrophobicContact CD2-CD2 3.82Å; L225-L264 HydrophobicContact CD2-CG 3.96Å; A260-L264 WeakPolarHBondContact O-CG 3.4Å; A260-L264 PolarHBondContact O-N 2.88Å; G261-L264 PolarHBondContact O-N 2.85Å; G261-L264 VanDerWaalsContact O-N 3.17Å; L264-T266 VanDerWaalsContact C-N 3.31Å; L264-T266 PolarHBondContact O-N 2.95Å; L264-Y267 PolarHBondContact O-N 3.4Å; L264-K268 PolarHBondContact O-N 3.45Å; L264-K268 VanDerWaalsContact O-N 3.11Å |
| 265 | E | 94.8 | Very high | 91.7 | Very high | 8 Ų | 8 | 68.9 Ų | 68.9 | 4% | 0.037 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 173.1 | -67 | -177.4 | 150.1 | 0 | 0 | 112.5 | V171 R172 S173 V174 G261 R262 Y263 S269 | V171-E265 HydrophobicContact CG1-CG 4.11Å; R172-E265 PolarHBondContact N-OE1 3.35Å; S173-E265 WeakPolarHBondContact CB-OE1 3.42Å; S173-E265 PolarHBondContact N-OE1 3.03Å; S173-E265 PolarHBondContact OG-OE1 3.38Å; S173-E265 PolarHBondContact OG-OE2 3.48Å; S173-E265 VanDerWaalsContact OG-OE2 3.08Å; V174-E265 HydrophobicContact CG2-CB 4.19Å; V174-E265 HydrophobicContact CG2-CG 4.31Å; G261-E265 WeakPolarHBondContact O-CG 3.41Å; G261-E265 PolarHBondContact O-N 3.32Å; R262-E265 WeakPolarHBondContact CD-OE2 3.28Å; R262-E265 IonicContact CZ-OE2 3.04Å; R262-E265 IonicContact NE-OE2 3.18Å; R262-E265 IonicContact NH1-OE2 3.71Å; R262-E265 PolarHBondContact NH1-OE2 2.92Å; Y263-E265 PolarHBondContact O-N 3.37Å; E265-S269 VanDerWaalsContact O-CB 3.27Å; E265-S269 WeakPolarHBondContact O-CB 3.28Å; E265-S269 PolarHBondContact O-N 2.74Å; E265-S269 PolarHBondContact O-OG 2.99Å |
| 266 | T | 94.3 | Very high | 90.6 | Very high | 50 Ų | 50 | 64.9 Ų | 64.9 | 31% | 0.307 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.6 | -47.7 | -179.4 | -57.5 | 0 | 0 | 0 | 0 | 110.3 | R262 Y263 L264 K268 S269 Y270 | R262-T266 WeakPolarHBondContact O-CB 3.48Å; R262-T266 PolarHBondContact O-N 3.32Å; R262-T266 PolarHBondContact O-OG1 2.84Å; Y263-T266 PolarHBondContact O-N 2.83Å; Y263-T266 VanDerWaalsContact O-N 3.15Å; L264-T266 VanDerWaalsContact C-N 3.31Å; L264-T266 PolarHBondContact O-N 2.95Å; T266-K268 PolarHBondContact O-N 2.9Å; T266-S269 PolarHBondContact O-N 2.71Å; T266-S269 PolarHBondContact O-OG 3.15Å; T266-Y270 HydrophobicContact CG2-CD2 3.88Å; T266-Y270 HydrophobicContact CG2-CE2 3.93Å; T266-Y270 WeakPolarHBondContact O-CB 3.13Å; T266-Y270 WeakPolarHBondContact O-CD2 3.03Å; T266-Y270 PolarHBondContact O-N 2.75Å |
| 267 | Y | 94.3 | Very high | 89.3 | Confident | 59 Ų | 59 | 68.7 Ų | 68.7 | 23% | 0.231 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58 | -46 | 176.1 | -83.4 | -67.6 | 0 | 0 | 0 | 112.6 | L187 L221 V223 I252 Y263 L264 Y270 E271 | L187-Y267 HydrophobicContact CD1-CD2 4.28Å; L187-Y267 HydrophobicContact CD1-CG 4.15Å; L221-Y267 HydrophobicContact CD2-CD1 4.48Å; L221-Y267 HydrophobicContact CD2-CE1 4.15Å; V223-Y267 HydrophobicContact CG1-CE2 4.1Å; V223-Y267 HydrophobicContact CG2-CE1 4.03Å; V223-Y267 HydrophobicContact CG2-CE2 4.08Å; I252-Y267 HydrophobicContact CG1-CE2 4.4Å; I252-Y267 WeakPolarHBondContact CG1-OH 3.17Å; Y263-Y267 VanDerWaalsContact O-CD2 3.26Å; Y263-Y267 WeakPolarHBondContact O-CD2 3.44Å; Y263-Y267 PolarHBondContact O-N 3.11Å; L264-Y267 PolarHBondContact O-N 3.4Å; Y267-Y270 PolarHBondContact O-N 2.87Å; Y267-E271 PolarHBondContact O-N 2.88Å |
| 268 | K | 93.7 | Very high | 88 | Confident | 20 Ų | 20 | 74.5 Ų | 74.5 | 9% | 0.087 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.8 | -43.1 | 179.2 | -176.7 | 60.9 | -177.5 | 178.5 | 0 | 112.5 | G153 S154 S155 I156 V174 L187 L264 T266 Y270 E271 | G153-K268 PolarHBondContact O-NZ 2.75Å; S154-K268 VanDerWaalsContact C-CE 3.4Å; S154-K268 WeakPolarHBondContact O-CE 3.29Å; S155-K268 WeakPolarHBondContact O-CE 3.19Å; S155-K268 PolarHBondContact O-NZ 3.26Å; I156-K268 HydrophobicContact CD1-CB 3.99Å; I156-K268 HydrophobicContact CD1-CG 4.49Å; I156-K268 HydrophobicContact CG1-CB 3.82Å; I156-K268 HydrophobicContact CG1-CD 4.41Å; I156-K268 HydrophobicContact CG1-CG 3.87Å; V174-K268 HydrophobicContact CG1-CB 4.1Å; V174-K268 HydrophobicContact CG1-CG 3.63Å; L187-K268 WeakPolarHBondContact O-CD 3.21Å; L264-K268 PolarHBondContact O-N 3.45Å; L264-K268 VanDerWaalsContact O-N 3.11Å; T266-K268 PolarHBondContact O-N 2.9Å; K268-Y270 PolarHBondContact O-N 3.43Å; K268-E271 WeakPolarHBondContact CE-OE2 3.34Å; K268-E271 IonicContact NZ-OE2 3.9Å; K268-E271 PolarHBondContact NZ-OE2 2.9Å; K268-E271 WeakPolarHBondContact O-CB 3.27Å; K268-E271 PolarHBondContact O-N 2.95Å |
| 269 | S | 90.3 | Very high | 87 | Confident | 60 Ų | 60 | 75.1 Ų | 75.1 | 42% | 0.42 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -72.9 | -13.5 | -179.5 | 61.6 | 0 | 0 | 0 | 0 | 114.3 | E265 T266 K273 | E265-S269 VanDerWaalsContact O-CB 3.27Å; E265-S269 WeakPolarHBondContact O-CB 3.28Å; E265-S269 PolarHBondContact O-N 2.74Å; E265-S269 PolarHBondContact O-OG 2.99Å; T266-S269 PolarHBondContact O-N 2.71Å; T266-S269 PolarHBondContact O-OG 3.15Å; S269-K273 VanDerWaalsContact O-CE 3.28Å; S269-K273 WeakPolarHBondContact O-CE 3.36Å |
| 270 | Y | 88.7 | Confident | 85.9 | Confident | 121 Ų | 121 | 80.4 Ų | 80.4 | 48% | 0.475 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -101 | -3.7 | 174.9 | -77.4 | -116.9 | 0 | 0 | 0 | 113.5 | T266 Y267 K268 K272 K273 L277 | T266-Y270 HydrophobicContact CG2-CD2 3.88Å; T266-Y270 HydrophobicContact CG2-CE2 3.93Å; T266-Y270 WeakPolarHBondContact O-CB 3.13Å; T266-Y270 WeakPolarHBondContact O-CD2 3.03Å; T266-Y270 PolarHBondContact O-N 2.75Å; Y267-Y270 PolarHBondContact O-N 2.87Å; K268-Y270 PolarHBondContact O-N 3.43Å; Y270-K272 PolarHBondContact O-N 2.91Å; Y270-K273 HydrophobicContact CD1-CB 4.37Å; Y270-K273 HydrophobicContact CD1-CD 3.62Å; Y270-K273 HydrophobicContact CD2-CD 4.01Å; Y270-K273 HydrophobicContact CE1-CD 3.79Å; Y270-K273 HydrophobicContact CE2-CD 4.19Å; Y270-K273 HydrophobicContact CG-CD 3.73Å; Y270-K273 VanDerWaalsContact CZ-NZ 3.29Å; Y270-K273 PolarHBondContact O-N 3.4Å; Y270-L277 HydrophobicContact CE1-CD1 4.44Å |
| 271 | E | 86 | Confident | 84.5 | Confident | 71 Ų | 71 | 88.6 Ų | 88.6 | 33% | 0.332 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -35.8 | 179.6 | -178 | 179.5 | -163.4 | 0 | 0 | 113.6 | G188 Q189 Y267 K268 | G188-E271 VanDerWaalsContact CA-CD 3.41Å; G188-E271 WeakPolarHBondContact CA-OE1 3.49Å; Q189-E271 PolarHBondContact N-OE1 3.17Å; Y267-E271 PolarHBondContact O-N 2.88Å; K268-E271 WeakPolarHBondContact CE-OE2 3.34Å; K268-E271 IonicContact NZ-OE2 3.9Å; K268-E271 PolarHBondContact NZ-OE2 2.9Å; K268-E271 WeakPolarHBondContact O-CB 3.27Å; K268-E271 PolarHBondContact O-N 2.95Å |
| 272 | K | 82.9 | Confident | 83.3 | Confident | 175 Ų | 175 | 92.5 Ų | 92.5 | 76% | 0.761 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | 5.2 | -177.4 | -60.4 | -179.7 | -177.5 | 176.6 | 0 | 114.1 | Y270 | Y270-K272 PolarHBondContact O-N 2.91Š|
| 273 | K | 83.3 | Confident | 82.2 | Confident | 91 Ų | 91 | 91.6 Ų | 91.6 | 40% | 0.396 | 46% | 0.457 | S | S | . | . | trans | -82.2 | 127.1 | -177 | -73.7 | -176.7 | -176 | 168 | 0 | 110.3 | S269 Y270 L277 | S269-K273 VanDerWaalsContact O-CE 3.28Å; S269-K273 WeakPolarHBondContact O-CE 3.36Å; Y270-K273 HydrophobicContact CD1-CB 4.37Å; Y270-K273 HydrophobicContact CD1-CD 3.62Å; Y270-K273 HydrophobicContact CD2-CD 4.01Å; Y270-K273 HydrophobicContact CE1-CD 3.79Å; Y270-K273 HydrophobicContact CE2-CD 4.19Å; Y270-K273 HydrophobicContact CG-CD 3.73Å; Y270-K273 VanDerWaalsContact CZ-NZ 3.29Å; Y270-K273 PolarHBondContact O-N 3.4Å; K273-L277 HydrophobicContact CD-CD1 4.32Å | ||
| 274 | P | 77.5 | Confident | 81.3 | Confident | 85 Ų | 85 | 96.9 Ų | 96.9 | 55% | 0.552 | 48% | 0.482 | S | S | * | . | trans | -68.3 | 156.8 | 176.9 | 29.8 | -35.1 | 0 | 0 | 0 | 111.1 | D276 | P274-D276 PolarHBondContact O-N 2.94Š| ||
| 275 | A | 73.1 | Confident | 80.9 | Confident | 67 Ų | 67 | 101.3 Ų | 101.3 | 55% | 0.554 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -67.8 | 5.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L277 L278 | A275-L277 PolarHBondContact O-N 3.03Å; A275-L278 HydrophobicContact CB-CD1 4.47Å; A275-L278 WeakPolarHBondContact O-CB 3.16Å; A275-L278 PolarHBondContact O-N 3.44Å |
| 276 | D | 73.6 | Confident | 80.6 | Confident | 86 Ų | 86 | 107.1 Ų | 107.1 | 46% | 0.46 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -64.2 | -24.9 | 179 | -66.3 | -42.1 | 0 | 0 | 0 | 113.3 | P274 L278 K279 | P274-D276 PolarHBondContact O-N 2.94Å; D276-L278 PolarHBondContact O-N 3.46Å; D276-K279 PolarHBondContact O-N 2.87Å; D276-K279 WeakPolarHBondContact OD1-CE 3.38Å; D276-K279 IonicContact OD1-NZ 3.79Å; D276-K279 PolarHBondContact OD1-NZ 2.92Å |
| 277 | L | 68.9 | Low | 80.3 | Confident | 119 Ų | 119 | 108.4 Ų | 108.4 | 62% | 0.623 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -69.8 | -15.7 | 170.7 | -65.3 | 177.5 | 0 | 0 | 0 | 113.6 | Y270 K273 A275 | Y270-L277 HydrophobicContact CE1-CD1 4.44Å; K273-L277 HydrophobicContact CD-CD1 4.32Å; A275-L277 PolarHBondContact O-N 3.03Å |
| 278 | L | 69.7 | Low | 80.1 | Confident | 156 Ų | 156 | 106.6 Ų | 106.6 | 82% | 0.817 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -97.7 | -8.4 | 178.3 | -56.8 | 176.7 | 0 | 0 | 0 | 112.6 | A275 D276 | A275-L278 HydrophobicContact CB-CD1 4.47Å; A275-L278 WeakPolarHBondContact O-CB 3.16Å; A275-L278 PolarHBondContact O-N 3.44Å; D276-L278 PolarHBondContact O-N 3.46Å |
| 279 | K | 74.1 | Confident | 80 | Confident | 135 Ų | 135 | 110.5 Ų | 110.5 | 59% | 0.587 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -75.8 | 138.6 | 174.5 | -69.9 | 176.1 | -178.4 | 163.3 | 0 | 109.3 | D276 Q281 | D276-K279 PolarHBondContact O-N 2.87Å; D276-K279 WeakPolarHBondContact OD1-CE 3.38Å; D276-K279 IonicContact OD1-NZ 3.79Å; D276-K279 PolarHBondContact OD1-NZ 2.92Å; K279-Q281 PolarHBondContact O-N 3.22Å; K279-Q281 VanDerWaalsContact O-N 3.12Å |
| 280 | E | 74.6 | Confident | 80 | Confident | 170 Ų | 170 | 108.2 Ų | 108.2 | 79% | 0.794 | 53% | 0.529 | S | S | * | . | trans | -56.6 | 117 | 171.1 | -175.2 | 178.5 | -164.6 | 0 | 0 | 109.7 | V282 | E280-V282 HydrophobicContact CB-CG2 4.41Å; E280-V282 HydrophobicContact CG-CG2 3.81Å; E280-V282 PolarHBondContact O-N 3.45Å | ||
| 281 | Q | 67.9 | Low | 80.1 | Confident | 171 Ų | 171 | 102.9 Ų | 102.9 | 80% | 0.799 | 51% | 0.509 | S | S | * | . | trans | -78.1 | 76.3 | 169.8 | -68.2 | -162.2 | 1.3 | 0 | 0 | 108.9 | K279 E283 | K279-Q281 PolarHBondContact O-N 3.22Å; K279-Q281 VanDerWaalsContact O-N 3.12Å; Q281-E283 PolarHBondContact O-N 3.41Å; Q281-E283 VanDerWaalsContact O-N 3.08Å | ||
| 282 | V | 71 | Confident | 80.4 | Confident | 82 Ų | 82 | 103 Ų | 103 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | trans | -59 | 114.7 | 170.5 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | E280 K284 | E280-V282 HydrophobicContact CB-CG2 4.41Å; E280-V282 HydrophobicContact CG-CG2 3.81Å; E280-V282 PolarHBondContact O-N 3.45Å; V282-K284 PolarHBondContact O-N 3.07Å | ||
| 283 | E | 74.4 | Confident | 80.8 | Confident | 120 Ų | 120 | 98.6 Ų | 98.6 | 56% | 0.561 | 50% | 0.502 | S | S | * | . | trans | -56.8 | 123.1 | 176.7 | -69.8 | -175.3 | -174.1 | 0 | 0 | 108.9 | Q281 D285 S288 K289 | Q281-E283 PolarHBondContact O-N 3.41Å; Q281-E283 VanDerWaalsContact O-N 3.08Å; E283-D285 VanDerWaalsContact C-N 3.25Å; E283-D285 PolarHBondContact O-N 3.13Å; E283-S288 WeakPolarHBondContact OE2-CB 3.27Å; E283-S288 PolarHBondContact OE2-OG 3.1Å; E283-K289 WeakPolarHBondContact O-CE 3.41Å | ||
| 284 | K | 77.8 | Confident | 81.2 | Confident | 187 Ų | 187 | 94.8 Ų | 94.8 | 81% | 0.813 | 49% | 0.486 | S | S | * | . | trans | -76.6 | -17.2 | -172.4 | -69.9 | -176.7 | -179.3 | 176.1 | 0 | 113 | V282 K289 | V282-K284 PolarHBondContact O-N 3.07Å; K284-K289 PolarHBondContact O-NZ 3.26Å | ||
| 285 | D | 88.7 | Confident | 81.9 | Confident | 94 Ų | 94 | 92.7 Ų | 92.7 | 50% | 0.503 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -62.9 | 146.4 | -177.6 | -172.2 | 28.2 | 0 | 0 | 0 | 112.3 | E283 L287 K289 | E283-D285 VanDerWaalsContact C-N 3.25Å; E283-D285 PolarHBondContact O-N 3.13Å; D285-L287 WeakPolarHBondContact OD2-CB 3.25Å; D285-K289 WeakPolarHBondContact O-CG 3.27Å; D285-K289 PolarHBondContact O-N 3.08Å |
| 286 | Y | 87.3 | Confident | 82.9 | Confident | 131 Ų | 131 | 95.2 Ų | 95.2 | 51% | 0.514 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 179.8 | 174 | -99.7 | 0 | 0 | 0 | 111.1 | S288 K289 V290 L309 | Y286-S288 PolarHBondContact O-N 2.84Å; Y286-K289 PolarHBondContact O-N 3.19Å; Y286-V290 HydrophobicContact CD2-CG2 4.2Å; Y286-V290 HydrophobicContact CE1-CG2 4.13Å; Y286-V290 HydrophobicContact CE2-CG2 3.77Å; Y286-V290 WeakPolarHBondContact O-CG2 3.37Å; Y286-V290 PolarHBondContact O-N 2.58Å; Y286-L309 HydrophobicContact CE1-CD2 4.44Å |
| 287 | L | 89.6 | Confident | 83.7 | Confident | 77 Ų | 77 | 92 Ų | 92 | 40% | 0.403 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | -178.8 | -178.6 | 58.8 | 0 | 0 | 0 | 111.4 | D285 T291 I306 L309 | D285-L287 WeakPolarHBondContact OD2-CB 3.25Å; L287-T291 VanDerWaalsContact O-CB 3.23Å; L287-T291 WeakPolarHBondContact O-CB 3.26Å; L287-T291 PolarHBondContact O-N 2.88Å; L287-T291 PolarHBondContact O-OG1 3.38Å; L287-I306 HydrophobicContact CD1-CG1 4.44Å; L287-L309 HydrophobicContact CD1-CD1 3.5Å; L287-L309 VanDerWaalsContact CD1-CD1 3.5Å |
| 288 | S | 89.5 | Confident | 84.5 | Confident | 20 Ų | 20 | 95 Ų | 95 | 14% | 0.14 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -59.5 | -51.8 | 175.5 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | E283 Y286 V290 T291 D292 | E283-S288 WeakPolarHBondContact OE2-CB 3.27Å; E283-S288 PolarHBondContact OE2-OG 3.1Å; Y286-S288 PolarHBondContact O-N 2.84Å; S288-V290 PolarHBondContact O-N 3.05Å; S288-T291 WeakPolarHBondContact O-CB 3.45Å; S288-T291 PolarHBondContact O-N 2.86Å; S288-T291 VanDerWaalsContact O-N 3.1Å; S288-D292 PolarHBondContact O-N 3.33Å |
| 289 | K | 90.7 | Very high | 85.4 | Confident | 103 Ų | 103 | 89.2 Ų | 89.2 | 45% | 0.448 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.5 | -43.4 | -179.8 | -74.6 | 170.9 | 178.3 | 161 | 0 | 113.6 | E283 K284 D285 Y286 C293 | E283-K289 WeakPolarHBondContact O-CE 3.41Å; K284-K289 PolarHBondContact O-NZ 3.26Å; D285-K289 WeakPolarHBondContact O-CG 3.27Å; D285-K289 PolarHBondContact O-N 3.08Å; Y286-K289 PolarHBondContact O-N 3.19Å; K289-C293 VanDerWaalsContact O-CB 3.3Å; K289-C293 WeakPolarHBondContact O-CB 3.44Å; K289-C293 PolarHBondContact O-N 3.41Å |
| 290 | V | 90.6 | Very high | 86.3 | Confident | 12 Ų | 12 | 83.1 Ų | 83.1 | 7% | 0.073 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -71.5 | -36.1 | 177.5 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | Y286 S288 C293 L294 L309 V315 | Y286-V290 HydrophobicContact CD2-CG2 4.2Å; Y286-V290 HydrophobicContact CE1-CG2 4.13Å; Y286-V290 HydrophobicContact CE2-CG2 3.77Å; Y286-V290 WeakPolarHBondContact O-CG2 3.37Å; Y286-V290 PolarHBondContact O-N 2.58Å; S288-V290 PolarHBondContact O-N 3.05Å; V290-C293 PolarHBondContact O-N 3.37Å; V290-L294 HydrophobicContact CG1-CD1 3.76Å; V290-L294 HydrophobicContact CG1-CG 4.14Å; V290-L294 WeakPolarHBondContact O-CB 3.35Å; V290-L294 WeakPolarHBondContact O-CG 3.44Å; V290-L294 PolarHBondContact O-N 3.1Å; V290-L309 HydrophobicContact CB-CD1 4.04Å; V290-L309 HydrophobicContact CG1-CD1 3.78Å; V290-L309 HydrophobicContact CG1-CD2 3.93Å; V290-L309 HydrophobicContact CG1-CG 4Å; V290-V315 HydrophobicContact CB-CG2 4.39Å; V290-V315 HydrophobicContact CG1-CG2 3.62Å; V290-V315 HydrophobicContact CG2-CG2 3.78Å |
| 291 | T | 91.8 | Very high | 87.1 | Confident | 9 Ų | 9 | 79.6 Ų | 79.6 | 6% | 0.055 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 174.4 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | L287 S288 L294 T295 K302 A305 | L287-T291 VanDerWaalsContact O-CB 3.23Å; L287-T291 WeakPolarHBondContact O-CB 3.26Å; L287-T291 PolarHBondContact O-N 2.88Å; L287-T291 PolarHBondContact O-OG1 3.38Å; S288-T291 WeakPolarHBondContact O-CB 3.45Å; S288-T291 PolarHBondContact O-N 2.86Å; S288-T291 VanDerWaalsContact O-N 3.1Å; T291-L294 PolarHBondContact O-N 2.82Å; T291-T295 HydrophobicContact CG2-CG2 4.32Å; T291-T295 WeakPolarHBondContact O-CB 3.39Å; T291-T295 VanDerWaalsContact O-CG2 3.29Å; T291-T295 WeakPolarHBondContact O-CG2 3.39Å; T291-T295 PolarHBondContact O-N 3.11Å; T291-T295 PolarHBondContact O-OG1 2.92Å; T291-K302 HydrophobicContact CG2-CB 3.85Å; T291-K302 HydrophobicContact CG2-CD 4.05Å; T291-K302 HydrophobicContact CG2-CG 3.7Å; T291-A305 HydrophobicContact CG2-CB 4.2Å |
| 292 | D | 91.4 | Very high | 88.3 | Confident | 72 Ų | 72 | 77.2 Ų | 77.2 | 39% | 0.385 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68.4 | -38.3 | 178.7 | -64 | -24.4 | 0 | 0 | 0 | 111.4 | S288 T295 T296 K302 | S288-D292 PolarHBondContact O-N 3.33Å; D292-T295 WeakPolarHBondContact CA-OG1 3.5Å; D292-T295 PolarHBondContact O-OG1 3.02Å; D292-T296 PolarHBondContact O-N 3.47Å; D292-T296 VanDerWaalsContact O-N 3.14Å; D292-T296 PolarHBondContact O-OG1 3.39Å; D292-K302 IonicContact OD1-NZ 2.73Å |
| 293 | C | 91.6 | Very high | 89.3 | Confident | 84 Ų | 84 | 78.2 Ų | 78.2 | 57% | 0.568 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -60.4 | -46.7 | 172.2 | -173.3 | 0 | 0 | 0 | 0 | 112.5 | K289 V290 T296 | K289-C293 VanDerWaalsContact O-CB 3.3Å; K289-C293 WeakPolarHBondContact O-CB 3.44Å; K289-C293 PolarHBondContact O-N 3.41Å; V290-C293 PolarHBondContact O-N 3.37Å; C293-T296 WeakPolarHBondContact O-CB 3.18Å |
| 294 | L | 91.5 | Very high | 90.2 | Very high | 10 Ų | 10 | 73 Ų | 73 | 5% | 0.052 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -73.2 | -36.6 | -178.9 | -70.7 | 174 | 0 | 0 | 0 | 112.3 | V290 T291 T296 V297 I300 A305 I318 | V290-L294 HydrophobicContact CG1-CD1 3.76Å; V290-L294 HydrophobicContact CG1-CG 4.14Å; V290-L294 WeakPolarHBondContact O-CB 3.35Å; V290-L294 WeakPolarHBondContact O-CG 3.44Å; V290-L294 PolarHBondContact O-N 3.1Å; T291-L294 PolarHBondContact O-N 2.82Å; L294-T296 PolarHBondContact O-N 3.17Å; L294-V297 WeakPolarHBondContact O-CB 3.24Å; L294-V297 PolarHBondContact O-N 2.93Å; L294-V297 VanDerWaalsContact O-N 3.1Å; L294-I300 HydrophobicContact CB-CG2 4.44Å; L294-A305 HydrophobicContact CB-CB 3.79Å; L294-A305 HydrophobicContact CD1-CB 3.83Å; L294-A305 HydrophobicContact CG-CB 4.46Å; L294-I318 HydrophobicContact CD1-CD1 3.92Å; L294-I318 HydrophobicContact CD2-CG2 4.42Å |
| 295 | T | 93.1 | Very high | 90.8 | Very high | 42 Ų | 42 | 64.1 Ų | 64.1 | 26% | 0.258 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -74.3 | -11.9 | 177.6 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | T291 D292 V297 N301 K302 | T291-T295 HydrophobicContact CG2-CG2 4.32Å; T291-T295 WeakPolarHBondContact O-CB 3.39Å; T291-T295 VanDerWaalsContact O-CG2 3.29Å; T291-T295 WeakPolarHBondContact O-CG2 3.39Å; T291-T295 PolarHBondContact O-N 3.11Å; T291-T295 PolarHBondContact O-OG1 2.92Å; D292-T295 WeakPolarHBondContact CA-OG1 3.5Å; D292-T295 PolarHBondContact O-OG1 3.02Å; T295-V297 PolarHBondContact O-N 3.06Å; T295-N301 VanDerWaalsContact CG2-C 3.44Å; T295-K302 HydrophobicContact CG2-CG 4.09Å |
| 296 | T | 92.5 | Very high | 91 | Very high | 120 Ų | 120 | 63.7 Ų | 63.7 | 74% | 0.736 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -26.2 | 165.1 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | D292 C293 L294 K298 | D292-T296 PolarHBondContact O-N 3.47Å; D292-T296 VanDerWaalsContact O-N 3.14Å; D292-T296 PolarHBondContact O-OG1 3.39Å; C293-T296 WeakPolarHBondContact O-CB 3.18Å; L294-T296 PolarHBondContact O-N 3.17Å; T296-K298 PolarHBondContact O-N 2.98Å |
| 297 | V | 91.4 | Very high | 91.3 | Very high | 18 Ų | 18 | 58.8 Ų | 58.8 | 11% | 0.109 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -75 | 115.7 | 173.7 | -175.7 | 0 | 0 | 0 | 0 | 110.1 | L294 T295 S299 I300 L340 V343 | L294-V297 WeakPolarHBondContact O-CB 3.24Å; L294-V297 PolarHBondContact O-N 2.93Å; L294-V297 VanDerWaalsContact O-N 3.1Å; T295-V297 PolarHBondContact O-N 3.06Å; V297-S299 PolarHBondContact O-N 3.04Å; V297-I300 HydrophobicContact CB-CB 4.47Å; V297-I300 HydrophobicContact CB-CD1 3.65Å; V297-I300 HydrophobicContact CB-CG1 3.95Å; V297-I300 HydrophobicContact CG1-CD1 3.76Å; V297-I300 HydrophobicContact CG1-CG1 4.02Å; V297-I300 HydrophobicContact CG2-CD1 4.27Å; V297-I300 WeakPolarHBondContact O-CB 3.38Å; V297-I300 PolarHBondContact O-N 2.73Å; V297-L340 HydrophobicContact CG2-CD1 4.37Å; V297-V343 HydrophobicContact CG1-CB 4.27Å; V297-V343 HydrophobicContact CG1-CG1 4.38Å; V297-V343 HydrophobicContact CG1-CG2 4.19Å; V297-V343 HydrophobicContact CG2-CG1 4.11Å |
| 298 | K | 85.9 | Confident | 91.4 | Very high | 183 Ų | 183 | 55.1 Ų | 55.1 | 80% | 0.796 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 125.1 | 177.6 | -175.8 | 174.1 | -176.4 | 172.2 | 0 | 111.2 | T296 | T296-K298 PolarHBondContact O-N 2.98Š|
| 299 | S | 87.4 | Confident | 91.5 | Very high | 33 Ų | 33 | 55.1 Ų | 55.1 | 23% | 0.231 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | 2.1 | -177 | -24.3 | 0 | 0 | 0 | 0 | 116.7 | V297 K336 R339 | V297-S299 PolarHBondContact O-N 3.04Å; S299-K336 WeakPolarHBondContact O-CD 3.21Å; S299-K336 WeakPolarHBondContact O-CE 3.4Å; S299-K336 WeakPolarHBondContact O-CG 3.19Å; S299-R339 VanDerWaalsContact OG-CD 3.25Å; S299-R339 WeakPolarHBondContact OG-CD 3.4Å; S299-R339 PolarHBondContact OG-NH1 3.47Å |
| 300 | I | 92.6 | Very high | 91.5 | Very high | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.036 | 31% | 0.307 | C | S | . | . | trans | -100 | 125.6 | 172.5 | -54.3 | -167.7 | 0 | 0 | 0 | 109 | L294 V297 D304 L340 | L294-I300 HydrophobicContact CB-CG2 4.44Å; V297-I300 HydrophobicContact CB-CB 4.47Å; V297-I300 HydrophobicContact CB-CD1 3.65Å; V297-I300 HydrophobicContact CB-CG1 3.95Å; V297-I300 HydrophobicContact CG1-CD1 3.76Å; V297-I300 HydrophobicContact CG1-CG1 4.02Å; V297-I300 HydrophobicContact CG2-CD1 4.27Å; V297-I300 WeakPolarHBondContact O-CB 3.38Å; V297-I300 PolarHBondContact O-N 2.73Å; I300-D304 HydrophobicContact CG2-CB 3.8Å; I300-L340 HydrophobicContact CD1-CB 3.87Å; I300-L340 HydrophobicContact CD1-CD1 3.64Å; I300-L340 HydrophobicContact CD1-CD2 4Å; I300-L340 HydrophobicContact CD1-CG 4.03Å | ||
| 301 | N | 92.9 | Very high | 91.5 | Very high | 96 Ų | 96 | 57.8 Ų | 57.8 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | trans | -99.9 | 166.3 | 177.4 | -62.1 | -17.5 | 0 | 0 | 0 | 110.7 | T295 T303 D304 A305 | T295-N301 VanDerWaalsContact CG2-C 3.44Å; N301-T303 PolarHBondContact O-N 2.98Å; N301-D304 WeakPolarHBondContact CB-OD2 3.36Å; N301-D304 PolarHBondContact N-OD2 2.95Å; N301-D304 WeakPolarHBondContact O-CB 3.49Å; N301-D304 PolarHBondContact O-N 3.28Å; N301-A305 PolarHBondContact O-N 3.37Å; N301-A305 VanDerWaalsContact O-N 3.07Å | ||
| 302 | K | 92.2 | Very high | 91.5 | Very high | 122 Ų | 122 | 59.3 Ų | 59.3 | 53% | 0.53 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -53.9 | -39.6 | 176.6 | -62.5 | -160.1 | 173.1 | -153.6 | 0 | 112.5 | T291 D292 T295 A305 I306 | T291-K302 HydrophobicContact CG2-CB 3.85Å; T291-K302 HydrophobicContact CG2-CD 4.05Å; T291-K302 HydrophobicContact CG2-CG 3.7Å; D292-K302 IonicContact OD1-NZ 2.73Å; T295-K302 HydrophobicContact CG2-CG 4.09Å; K302-A305 PolarHBondContact O-N 2.96Å; K302-I306 WeakPolarHBondContact O-CG1 3.49Å; K302-I306 PolarHBondContact O-N 3.07Å |
| 303 | T | 92.1 | Very high | 91.3 | Very high | 103 Ų | 103 | 60.1 Ų | 60.1 | 63% | 0.632 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.5 | -42 | 175.1 | -43 | 0 | 0 | 0 | 0 | 112.8 | N301 A305 I306 T307 | N301-T303 PolarHBondContact O-N 2.98Å; T303-A305 VanDerWaalsContact C-N 3.33Å; T303-A305 PolarHBondContact O-N 3.42Å; T303-I306 PolarHBondContact O-N 3.06Å; T303-T307 PolarHBondContact O-N 2.97Å; T303-T307 PolarHBondContact O-OG1 3.2Å |
| 304 | D | 92.7 | Very high | 91.3 | Very high | 10 Ų | 10 | 59.2 Ų | 59.2 | 5% | 0.053 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 178.7 | -57.6 | -55.7 | 0 | 0 | 0 | 110.7 | I300 N301 T307 L308 L332 K336 | I300-D304 HydrophobicContact CG2-CB 3.8Å; N301-D304 WeakPolarHBondContact CB-OD2 3.36Å; N301-D304 PolarHBondContact N-OD2 2.95Å; N301-D304 WeakPolarHBondContact O-CB 3.49Å; N301-D304 PolarHBondContact O-N 3.28Å; D304-T307 PolarHBondContact O-N 3.04Å; D304-L308 WeakPolarHBondContact O-CB 3.49Å; D304-L308 VanDerWaalsContact O-CG 3.29Å; D304-L308 WeakPolarHBondContact O-CG 3.2Å; D304-L308 PolarHBondContact O-N 3.25Å; D304-L332 HydrophobicContact CB-CD1 4.11Å; D304-K336 IonicContact OD1-NZ 3.39Å; D304-K336 PolarHBondContact OD1-NZ 2.62Å; D304-K336 IonicContact OD2-NZ 3.7Å; D304-K336 PolarHBondContact OD2-NZ 3.14Å |
| 305 | A | 92.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T291 L294 N301 K302 T303 L308 L309 | T291-A305 HydrophobicContact CG2-CB 4.2Å; L294-A305 HydrophobicContact CB-CB 3.79Å; L294-A305 HydrophobicContact CD1-CB 3.83Å; L294-A305 HydrophobicContact CG-CB 4.46Å; N301-A305 PolarHBondContact O-N 3.37Å; N301-A305 VanDerWaalsContact O-N 3.07Å; K302-A305 PolarHBondContact O-N 2.96Å; T303-A305 VanDerWaalsContact C-N 3.33Å; T303-A305 PolarHBondContact O-N 3.42Å; A305-L308 PolarHBondContact O-N 3.21Å; A305-L309 WeakPolarHBondContact O-CB 3.47Å; A305-L309 PolarHBondContact O-N 3.35Å |
| 306 | I | 92.4 | Very high | 91.2 | Very high | 86 Ų | 86 | 65.4 Ų | 65.4 | 44% | 0.441 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 174.7 | -66.3 | 163.2 | 0 | 0 | 0 | 110.8 | L287 K302 T303 L309 S310 | L287-I306 HydrophobicContact CD1-CG1 4.44Å; K302-I306 WeakPolarHBondContact O-CG1 3.49Å; K302-I306 PolarHBondContact O-N 3.07Å; T303-I306 PolarHBondContact O-N 3.06Å; I306-L309 PolarHBondContact O-N 3.36Å; I306-S310 WeakPolarHBondContact O-CB 3.22Å; I306-S310 PolarHBondContact O-N 3.33Å |
| 307 | T | 92.4 | Very high | 91.2 | Very high | 28 Ų | 28 | 60.7 Ų | 60.7 | 17% | 0.172 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60 | -49.2 | 174.2 | -63.8 | 0 | 0 | 0 | 0 | 111.4 | T303 D304 L309 S310 T311 C329 P330 | T303-T307 PolarHBondContact O-N 2.97Å; T303-T307 PolarHBondContact O-OG1 3.2Å; D304-T307 PolarHBondContact O-N 3.04Å; T307-L309 VanDerWaalsContact C-N 3.32Å; T307-L309 PolarHBondContact O-N 3.18Å; T307-S310 WeakPolarHBondContact O-CB 3.33Å; T307-S310 PolarHBondContact O-N 2.93Å; T307-S310 VanDerWaalsContact O-N 3.09Å; T307-T311 PolarHBondContact O-N 3.46Å; T307-T311 PolarHBondContact O-OG1 3.34Å; T307-C329 HydrophobicContact CG2-CB 4.23Å; T307-P330 HydrophobicContact CG2-CG 3.72Å |
| 308 | L | 91.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 179 | -76.8 | 166.4 | 0 | 0 | 0 | 112.1 | D304 A305 T311 F312 I318 L326 L332 L340 | D304-L308 WeakPolarHBondContact O-CB 3.49Å; D304-L308 VanDerWaalsContact O-CG 3.29Å; D304-L308 WeakPolarHBondContact O-CG 3.2Å; D304-L308 PolarHBondContact O-N 3.25Å; A305-L308 PolarHBondContact O-N 3.21Å; L308-T311 PolarHBondContact O-N 2.87Å; L308-F312 HydrophobicContact CD2-CD2 4.04Å; L308-F312 HydrophobicContact CD2-CE2 3.85Å; L308-F312 WeakPolarHBondContact O-CD2 3.34Å; L308-F312 PolarHBondContact O-N 2.86Å; L308-I318 HydrophobicContact CB-CD1 3.81Å; L308-I318 HydrophobicContact CB-CG1 4.19Å; L308-I318 HydrophobicContact CD2-CG2 4.39Å; L308-L326 HydrophobicContact CD2-CD2 3.7Å; L308-L332 HydrophobicContact CD1-CD2 4.16Å; L308-L332 HydrophobicContact CD2-CD2 3.6Å; L308-L332 HydrophobicContact CG-CD2 4Å; L308-L340 HydrophobicContact CD1-CD2 3.58Å; L308-L340 HydrophobicContact CD2-CD2 4.2Å |
| 309 | L | 91.9 | Very high | 91.5 | Very high | 19 Ų | 19 | 54.5 Ų | 54.5 | 10% | 0.099 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 173.5 | -85.4 | 170.5 | 0 | 0 | 0 | 112.7 | Y286 L287 V290 A305 I306 T307 S313 | Y286-L309 HydrophobicContact CE1-CD2 4.44Å; L287-L309 HydrophobicContact CD1-CD1 3.5Å; L287-L309 VanDerWaalsContact CD1-CD1 3.5Å; V290-L309 HydrophobicContact CB-CD1 4.04Å; V290-L309 HydrophobicContact CG1-CD1 3.78Å; V290-L309 HydrophobicContact CG1-CD2 3.93Å; V290-L309 HydrophobicContact CG1-CG 4Å; A305-L309 WeakPolarHBondContact O-CB 3.47Å; A305-L309 PolarHBondContact O-N 3.35Å; I306-L309 PolarHBondContact O-N 3.36Å; T307-L309 VanDerWaalsContact C-N 3.32Å; T307-L309 PolarHBondContact O-N 3.18Å; L309-S313 WeakPolarHBondContact O-CA 3.45Å; L309-S313 PolarHBondContact O-N 2.77Å |
| 310 | S | 91.3 | Very high | 91.8 | Very high | 100 Ų | 100 | 58.2 Ų | 58.2 | 70% | 0.699 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.4 | -38.9 | 177 | -169.9 | 0 | 0 | 0 | 0 | 112.2 | I306 T307 | I306-S310 WeakPolarHBondContact O-CB 3.22Å; I306-S310 PolarHBondContact O-N 3.33Å; T307-S310 WeakPolarHBondContact O-CB 3.33Å; T307-S310 PolarHBondContact O-N 2.93Å; T307-S310 VanDerWaalsContact O-N 3.09Å |
| 311 | T | 91.1 | Very high | 91.7 | Very high | 71 Ų | 71 | 58.2 Ų | 58.2 | 44% | 0.436 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -78.2 | -44.6 | -179.2 | -56.7 | 0 | 0 | 0 | 0 | 113.2 | T307 L308 | T307-T311 PolarHBondContact O-N 3.46Å; T307-T311 PolarHBondContact O-OG1 3.34Å; L308-T311 PolarHBondContact O-N 2.87Å |
| 312 | F | 90.5 | Very high | 91.7 | Very high | 42 Ų | 42 | 55.5 Ų | 55.5 | 18% | 0.184 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -103.7 | -6.9 | -173.2 | -63.1 | -73.4 | 0 | 0 | 0 | 114.6 | L308 T314 I318 A321 D325 L326 C329 | L308-F312 HydrophobicContact CD2-CD2 4.04Å; L308-F312 HydrophobicContact CD2-CE2 3.85Å; L308-F312 WeakPolarHBondContact O-CD2 3.34Å; L308-F312 PolarHBondContact O-N 2.86Å; F312-T314 PolarHBondContact O-N 3.34Å; F312-I318 HydrophobicContact CB-CG1 3.79Å; F312-I318 HydrophobicContact CD2-CG1 3.95Å; F312-I318 HydrophobicContact CG-CG1 4.19Å; F312-A321 HydrophobicContact CD1-CB 4.26Å; F312-A321 HydrophobicContact CE1-CB 3.66Å; F312-A321 HydrophobicContact CE2-CB 4.33Å; F312-A321 HydrophobicContact CZ-CB 3.7Å; F312-D325 HydrophobicContact CE1-CB 4.2Å; F312-D325 HydrophobicContact CZ-CB 4Å; F312-L326 HydrophobicContact CE2-CD2 3.82Å; F312-L326 HydrophobicContact CZ-CD2 4.17Å; F312-C329 WeakPolarHBondContact CE2-SG 3.24Å |
| 313 | S | 88.6 | Confident | 91.6 | Very high | 88 Ų | 88 | 53.2 Ų | 53.2 | 62% | 0.615 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 61.3 | -28.8 | 179.6 | -58.6 | 0 | 0 | 0 | 0 | 116.9 | L309 | L309-S313 WeakPolarHBondContact O-CA 3.45Å; L309-S313 PolarHBondContact O-N 2.77Å |
| 314 | T | 91 | Very high | 91.5 | Very high | 65 Ų | 65 | 53.9 Ų | 53.9 | 40% | 0.399 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -135.6 | 153.3 | -174.1 | 63.2 | 0 | 0 | 0 | 0 | 110.9 | F312 E316 G317 I318 | F312-T314 PolarHBondContact O-N 3.34Å; T314-E316 VanDerWaalsContact C-N 3.26Å; T314-E316 PolarHBondContact O-N 2.84Å; T314-G317 PolarHBondContact O-N 2.74Å; T314-G317 PolarHBondContact OG1-N 2.93Å; T314-I318 WeakPolarHBondContact O-CG1 3.46Å; T314-I318 PolarHBondContact O-N 3.33Å |
| 315 | V | 90.6 | Very high | 91.4 | Very high | 47 Ų | 47 | 57 Ų | 57 | 29% | 0.285 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.2 | -34.9 | 174.3 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | V290 I318 I319 | V290-V315 HydrophobicContact CB-CG2 4.39Å; V290-V315 HydrophobicContact CG1-CG2 3.62Å; V290-V315 HydrophobicContact CG2-CG2 3.78Å; V315-I318 PolarHBondContact O-N 3.28Å; V315-I319 HydrophobicContact CG1-CD1 3.95Å; V315-I319 HydrophobicContact CG1-CG1 4.47Å; V315-I319 VanDerWaalsContact O-CG1 3.32Å; V315-I319 WeakPolarHBondContact O-CG1 3.26Å; V315-I319 PolarHBondContact O-N 3.19Å |
| 316 | E | 91.9 | Very high | 91.2 | Very high | 136 Ų | 136 | 57 Ų | 57 | 64% | 0.636 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60 | -43.7 | 172.9 | -179.3 | 174.8 | -166.5 | 0 | 0 | 112.1 | T314 I318 I319 N320 | T314-E316 VanDerWaalsContact C-N 3.26Å; T314-E316 PolarHBondContact O-N 2.84Å; E316-I318 VanDerWaalsContact C-N 3.31Å; E316-I318 PolarHBondContact O-N 3.19Å; E316-I319 PolarHBondContact O-N 2.84Å; E316-I319 VanDerWaalsContact O-N 3.14Å; E316-N320 WeakPolarHBondContact CG-ND2 3.25Å; E316-N320 PolarHBondContact O-N 3.08Å; E316-N320 PolarHBondContact O-ND2 3.4Å |
| 317 | G | 91.9 | Very high | 91.2 | Very high | 21 Ų | 21 | 56 Ų | 56 | 22% | 0.216 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60 | -38.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | T314 A321 | T314-G317 PolarHBondContact O-N 2.74Å; T314-G317 PolarHBondContact OG1-N 2.93Å; G317-A321 WeakPolarHBondContact O-CB 3.39Å; G317-A321 PolarHBondContact O-N 3.07Å; G317-A321 VanDerWaalsContact O-N 3.12Å |
| 318 | I | 91.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68 | -35.9 | 175.2 | -60.1 | 166.3 | 0 | 0 | 0 | 111.4 | L294 L308 F312 T314 V315 E316 L340 | L294-I318 HydrophobicContact CD1-CD1 3.92Å; L294-I318 HydrophobicContact CD2-CG2 4.42Å; L308-I318 HydrophobicContact CB-CD1 3.81Å; L308-I318 HydrophobicContact CB-CG1 4.19Å; L308-I318 HydrophobicContact CD2-CG2 4.39Å; F312-I318 HydrophobicContact CB-CG1 3.79Å; F312-I318 HydrophobicContact CD2-CG1 3.95Å; F312-I318 HydrophobicContact CG-CG1 4.19Å; T314-I318 WeakPolarHBondContact O-CG1 3.46Å; T314-I318 PolarHBondContact O-N 3.33Å; V315-I318 PolarHBondContact O-N 3.28Å; E316-I318 VanDerWaalsContact C-N 3.31Å; E316-I318 PolarHBondContact O-N 3.19Å; I318-L340 HydrophobicContact CG2-CD2 4.12Å |
| 319 | I | 92.8 | Very high | 90.9 | Very high | 68 Ų | 68 | 62 Ų | 62 | 35% | 0.349 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.8 | -44.4 | 179.4 | -68.6 | 165.2 | 0 | 0 | 0 | 111.5 | V315 E316 A321 L344 H345 | V315-I319 HydrophobicContact CG1-CD1 3.95Å; V315-I319 HydrophobicContact CG1-CG1 4.47Å; V315-I319 VanDerWaalsContact O-CG1 3.32Å; V315-I319 WeakPolarHBondContact O-CG1 3.26Å; V315-I319 PolarHBondContact O-N 3.19Å; E316-I319 PolarHBondContact O-N 2.84Å; E316-I319 VanDerWaalsContact O-N 3.14Å; I319-A321 VanDerWaalsContact C-N 3.3Å; I319-A321 PolarHBondContact O-N 2.89Å; I319-L344 HydrophobicContact CG1-CD1 4.15Å; I319-L344 HydrophobicContact CG1-CD2 4.29Å; I319-H345 PolarHBondContact O-CE1 3.28Å; I319-H345 PolarHBondContact O-NE2 2.95Å |
| 320 | N | 92.4 | Very high | 90.8 | Very high | 112 Ų | 112 | 65.6 Ų | 65.6 | 60% | 0.599 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -81.9 | -5.7 | -178.5 | -67.7 | -34.3 | 0 | 0 | 0 | 113.8 | E316 | E316-N320 WeakPolarHBondContact CG-ND2 3.25Å; E316-N320 PolarHBondContact O-N 3.08Å; E316-N320 PolarHBondContact O-ND2 3.4Å |
| 321 | A | 92 | Very high | 90.4 | Very high | 6 Ų | 6 | 64 Ų | 64 | 5% | 0.05 | 37% | 0.373 | C | S | . | . | trans | -63 | 138.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F312 G317 I319 D325 L326 | F312-A321 HydrophobicContact CD1-CB 4.26Å; F312-A321 HydrophobicContact CE1-CB 3.66Å; F312-A321 HydrophobicContact CE2-CB 4.33Å; F312-A321 HydrophobicContact CZ-CB 3.7Å; G317-A321 WeakPolarHBondContact O-CB 3.39Å; G317-A321 PolarHBondContact O-N 3.07Å; G317-A321 VanDerWaalsContact O-N 3.12Å; I319-A321 VanDerWaalsContact C-N 3.3Å; I319-A321 PolarHBondContact O-N 2.89Å; A321-D325 HydrophobicContact CB-CB 4.47Å; A321-L326 HydrophobicContact CB-CD2 3.89Å; A321-L326 HydrophobicContact CB-CG 3.93Å | ||
| 322 | S | 91.4 | Very high | 90.2 | Very high | 40 Ų | 40 | 60.8 Ų | 60.8 | 28% | 0.28 | 35% | 0.353 | S | S | . | . | trans | -66.8 | 159.6 | 171.5 | 76.4 | 0 | 0 | 0 | 0 | 110.6 | E324 D325 L326 | S322-E324 PolarHBondContact O-N 3.42Å; S322-E324 PolarHBondContact OG-N 3.32Å; S322-D325 VanDerWaalsContact CB-OD2 3.29Å; S322-D325 WeakPolarHBondContact CB-OD2 3.29Å; S322-D325 PolarHBondContact N-OD2 2.85Å; S322-D325 PolarHBondContact O-N 3.09Å; S322-D325 PolarHBondContact OG-N 3.38Å; S322-D325 VanDerWaalsContact OG-N 3.1Å; S322-D325 PolarHBondContact OG-OD2 3.47Å; S322-L326 WeakPolarHBondContact O-CG 3.39Å; S322-L326 PolarHBondContact O-N 3.18Å; S322-L326 VanDerWaalsContact O-N 3.1Å | ||
| 323 | K | 90.2 | Very high | 90.1 | Very high | 73 Ų | 73 | 60.3 Ų | 60.3 | 32% | 0.317 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.6 | -28.9 | 175.7 | 176.2 | 168.3 | 147.4 | -78.8 | 0 | 111.5 | V327 Y341 | K323-V327 VanDerWaalsContact O-CG2 3.29Å; K323-V327 WeakPolarHBondContact O-CG2 3.24Å; K323-V327 PolarHBondContact O-N 3.36Å; K323-Y341 HydrophobicContact CB-CD1 4.4Å; K323-Y341 HydrophobicContact CB-CD2 4.02Å; K323-Y341 HydrophobicContact CB-CE2 4.35Å; K323-Y341 HydrophobicContact CB-CG 4.04Å |
| 324 | E | 90 | Very high | 90.2 | Very high | 117 Ų | 117 | 60.4 Ų | 60.4 | 55% | 0.547 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -74.4 | -42.5 | 180 | -67.5 | 56.6 | -128 | 0 | 0 | 111 | S322 L326 V327 L328 | S322-E324 PolarHBondContact O-N 3.42Å; S322-E324 PolarHBondContact OG-N 3.32Å; E324-L326 VanDerWaalsContact C-N 3.35Å; E324-L326 PolarHBondContact O-N 3.06Å; E324-V327 WeakPolarHBondContact O-CB 3.31Å; E324-V327 PolarHBondContact O-N 2.7Å; E324-V327 VanDerWaalsContact O-N 3.12Å; E324-L328 PolarHBondContact O-N 2.91Å |
| 325 | D | 90.4 | Very high | 90.2 | Very high | 76 Ų | 76 | 63.7 Ų | 63.7 | 41% | 0.406 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 174.7 | -56.6 | -47.1 | 0 | 0 | 0 | 111.9 | F312 A321 S322 V327 L328 | F312-D325 HydrophobicContact CE1-CB 4.2Å; F312-D325 HydrophobicContact CZ-CB 4Å; A321-D325 HydrophobicContact CB-CB 4.47Å; S322-D325 VanDerWaalsContact CB-OD2 3.29Å; S322-D325 WeakPolarHBondContact CB-OD2 3.29Å; S322-D325 PolarHBondContact N-OD2 2.85Å; S322-D325 PolarHBondContact O-N 3.09Å; S322-D325 PolarHBondContact OG-N 3.38Å; S322-D325 VanDerWaalsContact OG-N 3.1Å; S322-D325 PolarHBondContact OG-OD2 3.47Å; D325-V327 VanDerWaalsContact C-N 3.26Å; D325-V327 PolarHBondContact O-N 3.02Å; D325-L328 WeakPolarHBondContact O-CB 3.34Å; D325-L328 PolarHBondContact O-N 2.91Å; D325-L328 VanDerWaalsContact O-N 3.14Å |
| 326 | L | 89.9 | Confident | 90.2 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.6 | -29.1 | 174.2 | -66.9 | 174.1 | 0 | 0 | 0 | 112.4 | L308 F312 A321 S322 E324 L328 L332 A337 L340 Y341 | L308-L326 HydrophobicContact CD2-CD2 3.7Å; F312-L326 HydrophobicContact CE2-CD2 3.82Å; F312-L326 HydrophobicContact CZ-CD2 4.17Å; A321-L326 HydrophobicContact CB-CD2 3.89Å; A321-L326 HydrophobicContact CB-CG 3.93Å; S322-L326 WeakPolarHBondContact O-CG 3.39Å; S322-L326 PolarHBondContact O-N 3.18Å; S322-L326 VanDerWaalsContact O-N 3.1Å; E324-L326 VanDerWaalsContact C-N 3.35Å; E324-L326 PolarHBondContact O-N 3.06Å; L326-L328 VanDerWaalsContact C-N 3.35Å; L326-L332 WeakPolarHBondContact O-CD2 3.29Å; L326-A337 HydrophobicContact CB-CB 3.81Å; L326-L340 HydrophobicContact CD1-CD2 4.35Å; L326-L340 HydrophobicContact CD1-CG 4.42Å; L326-L340 HydrophobicContact CD2-CD2 4.01Å; L326-Y341 HydrophobicContact CD1-CD2 4.11Å |
| 327 | V | 91.9 | Very high | 90.3 | Very high | 64 Ų | 64 | 57.3 Ų | 57.3 | 39% | 0.388 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -75.8 | -25.6 | 174.4 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | K323 E324 D325 C329 P334 A337 | K323-V327 VanDerWaalsContact O-CG2 3.29Å; K323-V327 WeakPolarHBondContact O-CG2 3.24Å; K323-V327 PolarHBondContact O-N 3.36Å; E324-V327 WeakPolarHBondContact O-CB 3.31Å; E324-V327 PolarHBondContact O-N 2.7Å; E324-V327 VanDerWaalsContact O-N 3.12Å; D325-V327 VanDerWaalsContact C-N 3.26Å; D325-V327 PolarHBondContact O-N 3.02Å; V327-C329 PolarHBondContact O-N 3.13Å; V327-P334 HydrophobicContact CG2-CB 4.22Å; V327-A337 HydrophobicContact CB-CB 4.48Å; V327-A337 HydrophobicContact CG2-CB 3.61Å |
| 328 | L | 90.1 | Very high | 90.3 | Very high | 151 Ų | 151 | 61.3 Ų | 61.3 | 79% | 0.791 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -73.4 | -16 | 178.8 | -162 | 65.7 | 0 | 0 | 0 | 113 | E324 D325 L326 | E324-L328 PolarHBondContact O-N 2.91Å; D325-L328 WeakPolarHBondContact O-CB 3.34Å; D325-L328 PolarHBondContact O-N 2.91Å; D325-L328 VanDerWaalsContact O-N 3.14Å; L326-L328 VanDerWaalsContact C-N 3.35Å |
| 329 | C | 88.1 | Confident | 90.2 | Very high | 4 Ų | 4 | 66.6 Ų | 66.6 | 3% | 0.027 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -65.6 | 128.5 | 179.6 | -69.5 | 0 | 0 | 0 | 0 | 112.1 | T307 F312 V327 G331 L332 | T307-C329 HydrophobicContact CG2-CB 4.23Å; F312-C329 WeakPolarHBondContact CE2-SG 3.24Å; V327-C329 PolarHBondContact O-N 3.13Å; C329-G331 PolarHBondContact O-N 3.47Å; C329-L332 HydrophobicContact CB-CB 3.75Å; C329-L332 HydrophobicContact CB-CD2 4Å; C329-L332 WeakPolarHBondContact O-CB 3.42Å; C329-L332 PolarHBondContact O-N 3.26Å |
| 330 | P | 87.9 | Confident | 90.2 | Very high | 93 Ų | 93 | 63.4 Ų | 63.4 | 60% | 0.604 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 122.7 | -173.2 | 23.9 | -33.1 | 0 | 0 | 0 | 112 | T307 L332 | T307-P330 HydrophobicContact CG2-CG 3.72Å; P330-L332 VanDerWaalsContact C-N 3.3Å; P330-L332 PolarHBondContact O-N 3.11Å |
| 331 | G | 83.8 | Confident | 90.3 | Very high | 67 Ų | 67 | 61.6 Ų | 61.6 | 69% | 0.691 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | -9.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | C329 G333 | C329-G331 PolarHBondContact O-N 3.47Å; G331-G333 PolarHBondContact O-N 2.78Å; G331-G333 VanDerWaalsContact O-N 3.07Å |
| 332 | L | 87.7 | Confident | 90.3 | Very high | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | trans | -86.1 | 78 | 179.5 | -164.7 | 60.6 | 0 | 0 | 0 | 111.1 | D304 L308 L326 C329 P330 K336 A337 | D304-L332 HydrophobicContact CB-CD1 4.11Å; L308-L332 HydrophobicContact CD1-CD2 4.16Å; L308-L332 HydrophobicContact CD2-CD2 3.6Å; L308-L332 HydrophobicContact CG-CD2 4Å; L326-L332 WeakPolarHBondContact O-CD2 3.29Å; C329-L332 HydrophobicContact CB-CB 3.75Å; C329-L332 HydrophobicContact CB-CD2 4Å; C329-L332 WeakPolarHBondContact O-CB 3.42Å; C329-L332 PolarHBondContact O-N 3.26Å; P330-L332 VanDerWaalsContact C-N 3.3Å; P330-L332 PolarHBondContact O-N 3.11Å; L332-K336 HydrophobicContact CD1-CB 3.5Å; L332-K336 VanDerWaalsContact CD1-CB 3.5Å; L332-K336 HydrophobicContact CD1-CD 3.78Å; L332-K336 HydrophobicContact CD1-CG 4.33Å; L332-K336 HydrophobicContact CG-CB 4.26Å; L332-A337 HydrophobicContact CG-CB 4.37Å | ||
| 333 | G | 88.4 | Confident | 90.4 | Very high | 32 Ų | 32 | 67 Ų | 67 | 33% | 0.33 | 36% | 0.364 | S | S | . | . | trans | -55.7 | 155 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G331 Q335 K336 A337 | G331-G333 PolarHBondContact O-N 2.78Å; G331-G333 VanDerWaalsContact O-N 3.07Å; G333-Q335 PolarHBondContact O-N 2.94Å; G333-K336 WeakPolarHBondContact O-CA 3.37Å; G333-K336 WeakPolarHBondContact O-CB 3.21Å; G333-K336 PolarHBondContact O-N 3.29Å; G333-A337 PolarHBondContact O-N 3.31Å; G333-A337 VanDerWaalsContact O-N 3.16Å | ||
| 334 | P | 90 | Very high | 90.4 | Very high | 89 Ų | 89 | 66.7 Ų | 66.7 | 58% | 0.578 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.6 | -24.1 | -165.7 | 23.2 | -35 | 0 | 0 | 0 | 114.9 | V327 K338 | V327-P334 HydrophobicContact CG2-CB 4.22Å; P334-K338 VanDerWaalsContact O-CB 3.24Å; P334-K338 WeakPolarHBondContact O-CB 3.2Å; P334-K338 PolarHBondContact O-N 3.06Å |
| 335 | Q | 90.2 | Very high | 90.5 | Very high | 134 Ų | 134 | 65.2 Ų | 65.2 | 63% | 0.626 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -70.8 | -35.1 | 172 | -62.4 | -170.7 | 13.6 | 0 | 0 | 112.8 | G333 R339 | G333-Q335 PolarHBondContact O-N 2.94Å; Q335-R339 WeakPolarHBondContact O-CB 3.47Å; Q335-R339 WeakPolarHBondContact O-CG 3.46Å; Q335-R339 PolarHBondContact O-N 2.9Å; Q335-R339 VanDerWaalsContact O-N 3.09Å |
| 336 | K | 91.9 | Very high | 90.5 | Very high | 50 Ų | 50 | 69.1 Ų | 69.1 | 22% | 0.217 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -72.1 | -50.1 | 176.3 | -63.2 | -174.8 | 178.6 | -176.4 | 0 | 110.2 | S299 D304 L332 G333 K338 R339 L340 | S299-K336 WeakPolarHBondContact O-CD 3.21Å; S299-K336 WeakPolarHBondContact O-CE 3.4Å; S299-K336 WeakPolarHBondContact O-CG 3.19Å; D304-K336 IonicContact OD1-NZ 3.39Å; D304-K336 PolarHBondContact OD1-NZ 2.62Å; D304-K336 IonicContact OD2-NZ 3.7Å; D304-K336 PolarHBondContact OD2-NZ 3.14Å; L332-K336 HydrophobicContact CD1-CB 3.5Å; L332-K336 VanDerWaalsContact CD1-CB 3.5Å; L332-K336 HydrophobicContact CD1-CD 3.78Å; L332-K336 HydrophobicContact CD1-CG 4.33Å; L332-K336 HydrophobicContact CG-CB 4.26Å; G333-K336 WeakPolarHBondContact O-CA 3.37Å; G333-K336 WeakPolarHBondContact O-CB 3.21Å; G333-K336 PolarHBondContact O-N 3.29Å; K336-K338 VanDerWaalsContact C-N 3.34Å; K336-K338 PolarHBondContact O-N 2.81Å; K336-R339 PolarHBondContact O-N 3.21Å; K336-R339 VanDerWaalsContact O-N 3.08Å; K336-L340 PolarHBondContact O-N 2.98Å |
| 337 | A | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -54.7 | -47.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L326 V327 L332 G333 R339 L340 Y341 | L326-A337 HydrophobicContact CB-CB 3.81Å; V327-A337 HydrophobicContact CB-CB 4.48Å; V327-A337 HydrophobicContact CG2-CB 3.61Å; L332-A337 HydrophobicContact CG-CB 4.37Å; G333-A337 PolarHBondContact O-N 3.31Å; G333-A337 VanDerWaalsContact O-N 3.16Å; A337-R339 PolarHBondContact O-N 3.19Å; A337-L340 PolarHBondContact O-N 3.27Å; A337-Y341 WeakPolarHBondContact O-CB 3.5Å; A337-Y341 PolarHBondContact O-N 3.32Å |
| 338 | K | 92.1 | Very high | 90.2 | Very high | 105 Ų | 105 | 80.9 Ų | 80.9 | 46% | 0.457 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 173.7 | -178.2 | 176.8 | 176.8 | 179.7 | 0 | 112.4 | P334 K336 L340 Y341 D342 | P334-K338 VanDerWaalsContact O-CB 3.24Å; P334-K338 WeakPolarHBondContact O-CB 3.2Å; P334-K338 PolarHBondContact O-N 3.06Å; K336-K338 VanDerWaalsContact C-N 3.34Å; K336-K338 PolarHBondContact O-N 2.81Å; K338-L340 VanDerWaalsContact C-N 3.35Å; K338-L340 PolarHBondContact O-N 3.11Å; K338-Y341 PolarHBondContact O-N 3.28Å; K338-D342 WeakPolarHBondContact CE-OD2 3.33Å; K338-D342 WeakPolarHBondContact CG-OD2 3.5Å; K338-D342 VanDerWaalsContact O-CB 3.23Å; K338-D342 WeakPolarHBondContact O-CB 3.36Å; K338-D342 PolarHBondContact O-N 3.2Å |
| 339 | R | 91.4 | Very high | 90.1 | Very high | 113 Ų | 113 | 80.5 Ų | 80.5 | 43% | 0.426 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.3 | -38.3 | 179.9 | -77.9 | 173.4 | -172.7 | 154.9 | 13.3 | 112.6 | S299 Q335 K336 A337 V343 | S299-R339 VanDerWaalsContact OG-CD 3.25Å; S299-R339 WeakPolarHBondContact OG-CD 3.4Å; S299-R339 PolarHBondContact OG-NH1 3.47Å; Q335-R339 WeakPolarHBondContact O-CB 3.47Å; Q335-R339 WeakPolarHBondContact O-CG 3.46Å; Q335-R339 PolarHBondContact O-N 2.9Å; Q335-R339 VanDerWaalsContact O-N 3.09Å; K336-R339 PolarHBondContact O-N 3.21Å; K336-R339 VanDerWaalsContact O-N 3.08Å; A337-R339 PolarHBondContact O-N 3.19Å; R339-V343 WeakPolarHBondContact O-CB 3.4Å; R339-V343 VanDerWaalsContact O-CG2 3.24Å; R339-V343 WeakPolarHBondContact O-CG2 3.48Å; R339-V343 PolarHBondContact O-N 3.34Å |
| 340 | L | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 90.1 Ų | 90.1 | 0% | 0 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -62.2 | -54.6 | 173.9 | 177.6 | 53.9 | 0 | 0 | 0 | 110.6 | V297 I300 L308 I318 L326 K336 A337 K338 D342 V343 L344 | V297-L340 HydrophobicContact CG2-CD1 4.37Å; I300-L340 HydrophobicContact CD1-CB 3.87Å; I300-L340 HydrophobicContact CD1-CD1 3.64Å; I300-L340 HydrophobicContact CD1-CD2 4Å; I300-L340 HydrophobicContact CD1-CG 4.03Å; L308-L340 HydrophobicContact CD1-CD2 3.58Å; L308-L340 HydrophobicContact CD2-CD2 4.2Å; I318-L340 HydrophobicContact CG2-CD2 4.12Å; L326-L340 HydrophobicContact CD1-CD2 4.35Å; L326-L340 HydrophobicContact CD1-CG 4.42Å; L326-L340 HydrophobicContact CD2-CD2 4.01Å; K336-L340 PolarHBondContact O-N 2.98Å; A337-L340 PolarHBondContact O-N 3.27Å; K338-L340 VanDerWaalsContact C-N 3.35Å; K338-L340 PolarHBondContact O-N 3.11Å; L340-D342 PolarHBondContact O-N 3.45Å; L340-V343 PolarHBondContact O-N 3.31Å; L340-V343 VanDerWaalsContact O-N 3.08Å; L340-L344 HydrophobicContact CD1-CD1 3.58Å; L340-L344 HydrophobicContact CD1-CG 3.93Å; L340-L344 HydrophobicContact CG-CD1 4Å; L340-L344 WeakPolarHBondContact O-CG 3.48Å; L340-L344 PolarHBondContact O-N 3.04Å |
| 341 | Y | 93.6 | Very high | 89.1 | Confident | 74 Ų | 74 | 90.4 Ų | 90.4 | 29% | 0.29 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.5 | -47.3 | 179.6 | -171.3 | -87.6 | 0 | 0 | 0 | 112 | K323 L326 A337 K338 V343 L344 H345 | K323-Y341 HydrophobicContact CB-CD1 4.4Å; K323-Y341 HydrophobicContact CB-CD2 4.02Å; K323-Y341 HydrophobicContact CB-CE2 4.35Å; K323-Y341 HydrophobicContact CB-CG 4.04Å; L326-Y341 HydrophobicContact CD1-CD2 4.11Å; A337-Y341 WeakPolarHBondContact O-CB 3.5Å; A337-Y341 PolarHBondContact O-N 3.32Å; K338-Y341 PolarHBondContact O-N 3.28Å; Y341-V343 VanDerWaalsContact C-N 3.27Å; Y341-V343 PolarHBondContact O-N 3.01Å; Y341-L344 PolarHBondContact O-N 3.06Å; Y341-H345 AromaticContact CD1-ND1 3.97Å; Y341-H345 AromaticContact CD2-CE1 3.68Å; Y341-H345 AromaticContact CD2-ND1 3.57Å; Y341-H345 HydrophobicContact CE1-CB 4.3Å; Y341-H345 AromaticContact CE1-ND1 3.89Å; Y341-H345 AromaticContact CE2-CE1 3.4Å; Y341-H345 WeakPolarHBondContact CE2-CE1 3.34Å; Y341-H345 AromaticContact CE2-ND1 3.5Å; Y341-H345 WeakPolarHBondContact CE2-ND1 3.21Å; Y341-H345 AromaticContact CG-ND1 3.81Å; Y341-H345 AromaticContact CZ-CE1 3.86Å; Y341-H345 AromaticContact CZ-CG 3.98Å; Y341-H345 AromaticContact CZ-ND1 3.65Å; Y341-H345 WeakPolarHBondContact O-CB 3.35Å; Y341-H345 PolarHBondContact O-N 3.02Å; Y341-H345 PolarHBondContact O-ND1 3.14Å; Y341-H345 VanDerWaalsContact O-ND1 3.14Å |
| 342 | D | 92.5 | Very high | 87.9 | Confident | 73 Ų | 73 | 98.4 Ų | 98.4 | 39% | 0.39 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.6 | -31.6 | 177.1 | -72.2 | -9.4 | 0 | 0 | 0 | 112 | K338 L340 K346 | K338-D342 WeakPolarHBondContact CE-OD2 3.33Å; K338-D342 WeakPolarHBondContact CG-OD2 3.5Å; K338-D342 VanDerWaalsContact O-CB 3.23Å; K338-D342 WeakPolarHBondContact O-CB 3.36Å; K338-D342 PolarHBondContact O-N 3.2Å; L340-D342 PolarHBondContact O-N 3.45Å; D342-K346 WeakPolarHBondContact O-CB 3.34Å; D342-K346 PolarHBondContact O-N 3.46Å |
| 343 | V | 92.9 | Very high | 86.6 | Confident | 88 Ų | 88 | 103.4 Ų | 103.4 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -79.3 | -37.2 | 178.3 | 165.3 | 0 | 0 | 0 | 0 | 112 | V297 R339 L340 Y341 | V297-V343 HydrophobicContact CG1-CB 4.27Å; V297-V343 HydrophobicContact CG1-CG1 4.38Å; V297-V343 HydrophobicContact CG1-CG2 4.19Å; V297-V343 HydrophobicContact CG2-CG1 4.11Å; R339-V343 WeakPolarHBondContact O-CB 3.4Å; R339-V343 VanDerWaalsContact O-CG2 3.24Å; R339-V343 WeakPolarHBondContact O-CG2 3.48Å; R339-V343 PolarHBondContact O-N 3.34Å; L340-V343 PolarHBondContact O-N 3.31Å; L340-V343 VanDerWaalsContact O-N 3.08Å; Y341-V343 VanDerWaalsContact C-N 3.27Å; Y341-V343 PolarHBondContact O-N 3.01Å |
| 344 | L | 91.3 | Very high | 84.9 | Confident | 65 Ų | 65 | 108.8 Ų | 108.8 | 34% | 0.34 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -75.1 | -35.6 | -179.6 | -64.9 | 176.2 | 0 | 0 | 0 | 113 | I319 L340 Y341 | I319-L344 HydrophobicContact CG1-CD1 4.15Å; I319-L344 HydrophobicContact CG1-CD2 4.29Å; L340-L344 HydrophobicContact CD1-CD1 3.58Å; L340-L344 HydrophobicContact CD1-CG 3.93Å; L340-L344 HydrophobicContact CG-CD1 4Å; L340-L344 WeakPolarHBondContact O-CG 3.48Å; L340-L344 PolarHBondContact O-N 3.04Å; Y341-L344 PolarHBondContact O-N 3.06Å |
| 345 | H | 91.1 | Very high | 82.7 | Confident | 86 Ų | 86 | 111.8 Ų | 111.8 | 40% | 0.398 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -100.5 | -5.8 | -173.5 | -66.5 | 92.1 | 0 | 0 | 0 | 115 | I319 Y341 | I319-H345 PolarHBondContact O-CE1 3.28Å; I319-H345 PolarHBondContact O-NE2 2.95Å; Y341-H345 AromaticContact CD1-ND1 3.97Å; Y341-H345 AromaticContact CD2-CE1 3.68Å; Y341-H345 AromaticContact CD2-ND1 3.57Å; Y341-H345 HydrophobicContact CE1-CB 4.3Å; Y341-H345 AromaticContact CE1-ND1 3.89Å; Y341-H345 AromaticContact CE2-CE1 3.4Å; Y341-H345 WeakPolarHBondContact CE2-CE1 3.34Å; Y341-H345 AromaticContact CE2-ND1 3.5Å; Y341-H345 WeakPolarHBondContact CE2-ND1 3.21Å; Y341-H345 AromaticContact CG-ND1 3.81Å; Y341-H345 AromaticContact CZ-CE1 3.86Å; Y341-H345 AromaticContact CZ-CG 3.98Å; Y341-H345 AromaticContact CZ-ND1 3.65Å; Y341-H345 WeakPolarHBondContact O-CB 3.35Å; Y341-H345 PolarHBondContact O-N 3.02Å; Y341-H345 PolarHBondContact O-ND1 3.14Å; Y341-H345 VanDerWaalsContact O-ND1 3.14Å |
| 346 | K | 90.1 | Very high | 80.3 | Confident | 158 Ų | 158 | 114.1 Ų | 114.1 | 69% | 0.687 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -75.8 | 128.7 | -179 | 174.1 | 176.9 | -176.5 | -179.6 | 0 | 111 | D342 F348 | D342-K346 WeakPolarHBondContact O-CB 3.34Å; D342-K346 PolarHBondContact O-N 3.46Å; K346-F348 PolarHBondContact O-N 3.06Å |
| 347 | P | 88.8 | Confident | 79.7 | Confident | 93 Ų | 93 | 117.3 Ų | 117.3 | 60% | 0.604 | 59% | 0.592 | S | S | * | * | trans | -64.3 | 137.1 | 177.9 | 27.4 | -35.4 | 0 | 0 | 0 | 111 | L349 | P347-L349 PolarHBondContact O-N 3.06Š| ||
| 348 | F | 87.2 | Confident | 79 | Confident | 219 Ų | 219 | 123.5 Ų | 123.5 | 96% | 0.961 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -59.7 | -34.7 | 176.3 | -67.1 | -76.9 | 0 | 0 | 0 | 112.6 | K346 | K346-F348 PolarHBondContact O-N 3.06Š|
| 349 | L | 89.1 | Confident | 78.3 | Confident | 144 Ų | 144 | 124.5 Ų | 124.5 | 75% | 0.754 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -95.4 | 136.1 | 175.7 | -59.5 | 179.4 | 0 | 0 | 0 | 110.1 | P347 S351 | P347-L349 PolarHBondContact O-N 3.06Å; L349-S351 PolarHBondContact O-N 3.29Å |
| 350 | K | 81.3 | Confident | 77.6 | Confident | 206 Ų | 206 | 125.2 Ų | 125.2 | 90% | 0.896 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 128.3 | 163 | -65.9 | -179 | -178.7 | 178.5 | 0 | 107.8 | R352 | K350-R352 PolarHBondContact O-N 3.3Š|
| 351 | S | 73.6 | Confident | 76.6 | Confident | 99 Ų | 99 | 133 Ų | 133 | 69% | 0.692 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 135.2 | 168.9 | 45.3 | 0 | 0 | 0 | 0 | 109.2 | L349 T353 | L349-S351 PolarHBondContact O-N 3.29Å; S351-T353 PolarHBondContact O-N 3.41Å |
| 352 | R | 58.7 | Low | 75.5 | Confident | 235 Ų | 235 | 136.9 Ų | 136.9 | 89% | 0.887 | 71% | 0.711 | S | S | * | * | trans | -66.3 | 107.1 | 168 | -83.4 | -174.9 | 175.7 | 171.2 | -1 | 107.2 | K350 N354 | K350-R352 PolarHBondContact O-N 3.3Å; R352-N354 VanDerWaalsContact C-N 3.3Å; R352-N354 PolarHBondContact O-N 3.44Å | ||
| 353 | T | 58.9 | Low | 74.3 | Confident | 108 Ų | 108 | 141.5 Ų | 141.5 | 66% | 0.663 | 73% | 0.734 | S | S | * | * | trans | -66.9 | 94.8 | 164 | 47.7 | 0 | 0 | 0 | 0 | 107.7 | S351 N355 | S351-T353 PolarHBondContact O-N 3.41Å; T353-N355 PolarHBondContact O-N 3.09Å | ||
| 354 | N | 52.5 | Low | 72.8 | Confident | 145 Ų | 145 | 145.6 Ų | 145.6 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | -67.5 | 85.1 | 159.8 | -72.8 | -2.7 | 0 | 0 | 0 | 106.8 | R352 S356 | R352-N354 VanDerWaalsContact C-N 3.3Å; R352-N354 PolarHBondContact O-N 3.44Å; N354-S356 PolarHBondContact O-N 3.5Å; N354-S356 VanDerWaalsContact O-N 3.16Å | ||
| 355 | N | 44.7 | Very low | 71.3 | Confident | 153 Ų | 153 | 152.3 Ų | 152.3 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -66 | 110.8 | 165.2 | -72.8 | 1.3 | 0 | 0 | 0 | 106.5 | T353 | T353-N355 PolarHBondContact O-N 3.09Š| ||
| 356 | S | 39.8 | Very low | 69.5 | Low | 182 Ų | 182 | 158.4 Ų | 158.4 | 100% | 1.273 | 82% | 0.819 | S | S | * | * | trans | -109.2 | 0 | 174.6 | -171.4 | 0 | 0 | 0 | 0 | 110.9 | N354 | N354-S356 PolarHBondContact O-N 3.5Å; N354-S356 VanDerWaalsContact O-N 3.16Å |
Retrieved 356 of 356 residues in 607.5 ms
(Link to these results)