| 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 | 39.5 | Very low | 34.7 | Very low | 240 Ų | 240 | 150.4 Ų | 150.4 | 100% | 1.182 | 82% | 0.819 | S | S | * | * | 0 | 109.7 | 0 | -105.5 | 123.6 | 161.7 | 0 | 0 | 108.7 | |||||
| 2 | T | 37.3 | Very low | 34.3 | Very low | 130 Ų | 130 | 145.6 Ų | 145.6 | 80% | 0.798 | 82% | 0.815 | S | S | * | * | trans | -0.7 | 118.6 | 153.4 | 42.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 3 | N | 26.3 | Very low | 34.6 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | -7.1 | 127.7 | 131.1 | -152.4 | -3.6 | 0 | 0 | 0 | 117.7 | ||||
| 4 | I | 38.1 | Very low | 34.6 | Very low | 159 Ų | 159 | 142.6 Ų | 142.6 | 82% | 0.815 | 81% | 0.812 | S | S | * | * | trans | -145 | 109.7 | 151 | -60.8 | -176.7 | 0 | 0 | 0 | 108.5 | ||||
| 5 | S | 31.9 | Very low | 34.7 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | trans | -74.7 | 142.4 | 153.5 | -60.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 6 | S | 38.4 | Very low | 35 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -156.6 | 116 | 141.7 | -164.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 7 | E | 33.8 | Very low | 34.7 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -52.6 | 148.2 | 155.8 | -145 | 144.4 | 84.6 | 0 | 0 | 110.7 | ||||
| 8 | F | 33.5 | Very low | 34.6 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | 175.2 | 121.3 | 127 | -111.9 | -100.2 | 0 | 0 | 0 | 113.2 | |||||
| 9 | D | 31.6 | Very low | 34.6 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | 54.3 | 120.2 | 143.1 | -74.2 | -30.4 | 0 | 0 | 0 | 124.5 | ||||
| 10 | L | 31.3 | Very low | 34.8 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -68.2 | 155.4 | 148.8 | -81.7 | 145 | 0 | 0 | 0 | 110.8 | ||||
| 11 | P | 39.7 | Very low | 34.7 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | -135.6 | 161.3 | 118.7 | 34.9 | -22.5 | 0 | 0 | 0 | 114.5 | |||||
| 12 | A | 30.5 | Very low | 34.5 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -54.3 | 141.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 13 | G | 37.4 | Very low | 34.4 | Very low | 76 Ų | 76 | 136 Ų | 136 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | -132.8 | 96.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 14 | E | 35 | Very low | 35 | Very low | 174 Ų | 174 | 137.9 Ų | 137.9 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -76 | 126.6 | 171.4 | -55.7 | 167.9 | 118.7 | 0 | 0 | 107.6 | ||||
| 15 | D | 35.8 | Very low | 35.7 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | trans | -122 | 134.2 | 164.7 | -92.6 | -40.8 | 0 | 0 | 0 | 110.5 | ||||
| 16 | V | 39.2 | Very low | 36.3 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -97.7 | 130.3 | -156.7 | 153.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 17 | V | 30.4 | Very low | 36.5 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 72% | 0.715 | 80% | 0.799 | S | S | * | * | trans | 64 | 121 | 141.1 | 179.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 18 | S | 33.8 | Very low | 36.7 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | -150.9 | 100.5 | 119.9 | -141.4 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 19 | S | 33.9 | Very low | 37.2 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -80.7 | 110 | 170.5 | 48.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 20 | V | 37.7 | Very low | 37.7 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -86.7 | 107.9 | 164.4 | 173.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 21 | S | 33.6 | Very low | 38.6 | Very low | 111 Ų | 111 | 135 Ų | 135 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -75 | 123.4 | 166 | -163.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 22 | M | 34.6 | Very low | 39 | Very low | 177 Ų | 177 | 133.4 Ų | 133.4 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -124.1 | 106.7 | 170.4 | -155 | 161.7 | -174.1 | 0 | 0 | 108.7 | ||||
| 23 | E | 34.8 | Very low | 40.1 | Very low | 178 Ų | 178 | 137.2 Ų | 137.2 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 133.6 | -179.7 | -148.1 | 154.9 | 104.7 | 0 | 0 | 110.1 | ||
| 24 | M | 39.5 | Very low | 41 | Very low | 183 Ų | 183 | 140.3 Ų | 140.3 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 133.3 | 175 | -94.8 | 158.6 | 166.1 | 0 | 0 | 110.8 | ||
| 25 | P | 52.4 | Low | 41.6 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 159.9 | 161.6 | 32.8 | -28.1 | 0 | 0 | 0 | 112 | ||
| 26 | P | 44.8 | Very low | 42.2 | Very low | 117 Ų | 117 | 138 Ų | 138 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 152.9 | -156.9 | 35 | -30.3 | 0 | 0 | 0 | 114.8 | ||
| 27 | N | 42.5 | Very low | 42.6 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | 26.6 | 108.6 | 150.8 | -69 | -25.4 | 0 | 0 | 0 | 119.5 | ||||
| 28 | A | 38.1 | Very low | 43.5 | Very low | 98 Ų | 98 | 135 Ų | 135 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -145.7 | 78.1 | 144.4 | 0 | 0 | 0 | 0 | 0 | 110 | R30 | A28-R30 PolarHBondContact O-N 3.05Š| ||
| 29 | A | 45.4 | Very low | 44.1 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 88% | 0.884 | 78% | 0.775 | S | S | * | * | trans | -69.3 | 96.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 30 | R | 41.3 | Very low | 44.8 | Very low | 226 Ų | 226 | 140.1 Ų | 140.1 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -131.9 | 109.3 | 165.8 | -81.1 | -171.9 | 173 | -167.7 | -1.3 | 109.1 | A28 | A28-R30 PolarHBondContact O-N 3.05Š| ||
| 31 | S | 51.1 | Low | 45.2 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | trans | 28.8 | 98.9 | 145.5 | -52.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 32 | A | 48.2 | Very low | 45.7 | Very low | 88 Ų | 88 | 143.1 Ų | 143.1 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -157.5 | 43.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L34 | A32-L34 PolarHBondContact O-N 3.13Š| ||
| 33 | L | 52.2 | Low | 46.1 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 91% | 0.906 | 75% | 0.752 | S | S | * | * | trans | -95.1 | 74.2 | 168 | -72.8 | 172.1 | 0 | 0 | 0 | 108.5 | ||||
| 34 | L | 56.3 | Low | 46.5 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -170 | 39.3 | 172.8 | -104.4 | 165.5 | 0 | 0 | 0 | 116 | A32 | A32-L34 PolarHBondContact O-N 3.13Š|
| 35 | P | 49.1 | Very low | 46.9 | Very low | 74 Ų | 74 | 133.4 Ų | 133.4 | 48% | 0.481 | 74% | 0.739 | S | S | . | * | S | Bend | trans | -127.1 | -11.3 | 152.6 | 28.6 | -13 | 0 | 0 | 0 | 115.5 | ||
| 36 | W | 47.6 | Very low | 46.4 | Very low | 222 Ų | 222 | 132.2 Ų | 132.2 | 84% | 0.841 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -89.5 | -16.2 | -173.9 | -67.3 | -21.3 | 0 | 0 | 0 | 115.3 | ||
| 37 | S | 48.3 | Very low | 46.2 | Very low | 74 Ų | 74 | 134 Ų | 134 | 52% | 0.517 | 74% | 0.737 | S | S | . | * | H | α-helix | trans | -77.4 | -20.7 | 176 | 51 | 0 | 0 | 0 | 0 | 113.9 | ||
| 38 | L | 49.2 | Very low | 45.8 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 55% | 0.55 | 73% | 0.729 | S | S | . | * | H | α-helix | trans | -77.2 | -24.1 | 178.4 | -87.6 | 150 | 0 | 0 | 0 | 113.2 | ||
| 39 | W | 46.3 | Very low | 46.2 | Very low | 203 Ų | 203 | 131.3 Ų | 131.3 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -74.4 | -27.3 | 178 | -85.5 | 82.9 | 0 | 0 | 0 | 113.3 | M41 | W39-M41 VanDerWaalsContact C-N 3.34Å |
| 40 | L | 47.3 | Very low | 46 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 68% | 0.681 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -74.9 | -24.3 | 176.5 | -79.4 | 158.2 | 0 | 0 | 0 | 112.9 | ||
| 41 | M | 46 | Very low | 46.2 | Very low | 138 Ų | 138 | 122.2 Ų | 122.2 | 68% | 0.68 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -81.5 | -20.3 | 177.5 | -65 | -61.6 | -69.1 | 0 | 0 | 113.2 | W39 | W39-M41 VanDerWaalsContact C-N 3.34Å |
| 42 | F | 45.4 | Very low | 46.1 | Very low | 162 Ų | 162 | 116.6 Ų | 116.6 | 71% | 0.711 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -84 | -15.1 | 175.2 | -92.4 | -80.4 | 0 | 0 | 0 | 113.7 | L44 | F42-L44 PolarHBondContact O-N 3.12Å |
| 43 | A | 43.3 | Very low | 46 | Very low | 76 Ų | 76 | 115.8 Ų | 115.8 | 63% | 0.628 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -6.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 44 | L | 43.2 | Very low | 45.9 | Very low | 140 Ų | 140 | 111.1 Ų | 111.1 | 73% | 0.733 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 8.1 | -173.6 | -86.4 | 153.1 | 0 | 0 | 0 | 115.1 | F42 | F42-L44 PolarHBondContact O-N 3.12Š|
| 45 | T | 46.8 | Very low | 45.2 | Very low | 118 Ų | 118 | 111.5 Ų | 111.5 | 72% | 0.724 | 60% | 0.602 | S | S | * | * | trans | -132.5 | 48.6 | 172.8 | 58.6 | 0 | 0 | 0 | 0 | 111.4 | D47 | T45-D47 PolarHBondContact O-N 3Š| ||
| 46 | S | 42.6 | Very low | 45.4 | Very low | 92 Ų | 92 | 110.7 Ų | 110.7 | 64% | 0.643 | 59% | 0.593 | S | S | * | * | trans | -95.8 | 77.4 | 162.8 | -169.6 | 0 | 0 | 0 | 0 | 108.3 | C48 | S46-C48 PolarHBondContact O-N 3.23Š| ||
| 47 | D | 39.8 | Very low | 45.7 | Very low | 154 Ų | 154 | 101 Ų | 101 | 82% | 0.824 | 56% | 0.56 | S | S | * | * | trans | -67.2 | 76.6 | 157.3 | -99.5 | -35.8 | 0 | 0 | 0 | 107.6 | T45 Q49 | T45-D47 PolarHBondContact O-N 3Å; D47-Q49 PolarHBondContact O-N 2.79Å | ||
| 48 | C | 35.3 | Very low | 46.2 | Very low | 105 Ų | 105 | 99.8 Ų | 99.8 | 71% | 0.709 | 55% | 0.549 | S | S | * | . | trans | -73.6 | 81.6 | 159.8 | -92.1 | 0 | 0 | 0 | 0 | 106.5 | S46 P50 | S46-C48 PolarHBondContact O-N 3.23Å; C48-P50 VanDerWaalsContact O-CD 3.24Å; C48-P50 WeakPolarHBondContact O-CD 3.44Å | ||
| 49 | Q | 45.4 | Very low | 47.1 | Very low | 101 Ų | 101 | 100 Ų | 100 | 47% | 0.472 | 55% | 0.551 | S | S | . | * | trans | -75.5 | 114.5 | 156.3 | -71 | -173.3 | -49.9 | 0 | 0 | 107.1 | D47 M51 | D47-Q49 PolarHBondContact O-N 2.79Å; Q49-M51 HydrophobicContact CB-CG 4.15Å; Q49-M51 PolarHBondContact O-N 3Å | ||
| 50 | P | 41.2 | Very low | 48.6 | Very low | 86 Ų | 86 | 91 Ų | 91 | 56% | 0.558 | 52% | 0.519 | S | S | * | . | trans | -73.9 | 84.1 | 160.6 | 32.1 | -27.2 | 0 | 0 | 0 | 105.7 | C48 N168 | C48-P50 VanDerWaalsContact O-CD 3.24Å; C48-P50 WeakPolarHBondContact O-CD 3.44Å; P50-N168 HydrophobicContact CG-CB 4.15Å | ||
| 51 | M | 45 | Very low | 50.6 | Low | 56 Ų | 56 | 87 Ų | 87 | 28% | 0.276 | 50% | 0.501 | S | S | . | . | trans | -71.5 | 152.5 | 164.5 | -76.5 | -143.5 | 144.6 | 0 | 0 | 108.2 | Q49 S53 P78 | Q49-M51 HydrophobicContact CB-CG 4.15Å; Q49-M51 PolarHBondContact O-N 3Å; M51-S53 PolarHBondContact O-N 2.89Å; M51-P78 HydrophobicContact SD-CB 4.27Å | ||
| 52 | L | 49.4 | Very low | 52.8 | Low | 12 Ų | 12 | 81 Ų | 81 | 6% | 0.063 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -32.9 | 143.6 | 149.6 | -88.5 | 105.2 | 0 | 0 | 0 | 109 | A54 E56 A57 R133 | L52-A54 PolarHBondContact O-N 3.46Å; L52-E56 HydrophobicContact CD2-CB 3.91Å; L52-E56 HydrophobicContact CD2-CG 3.82Å; L52-A57 HydrophobicContact CB-CB 4.34Å; L52-R133 HydrophobicContact CD1-CB 3.98Å; L52-R133 HydrophobicContact CD1-CG 4.27Å |
| 53 | S | 47.4 | Very low | 55.1 | Low | 71 Ų | 71 | 73.6 Ų | 73.6 | 50% | 0.497 | 44% | 0.439 | S | S | . | . | trans | -42.3 | 126.8 | 173.1 | 74.1 | 0 | 0 | 0 | 0 | 108.1 | M51 H55 E56 A57 | M51-S53 PolarHBondContact O-N 2.89Å; S53-H55 CarbonylContact O-C 3.57Å; S53-H55 PolarHBondContact O-N 2.84Å; S53-E56 PolarHBondContact O-N 3.04Å; S53-E56 WeakPolarHBondContact OG-CB 3.32Å; S53-A57 PolarHBondContact O-N 3.04Å | ||
| 54 | A | 48.4 | Very low | 57.5 | Low | 74 Ų | 74 | 70.4 Ų | 70.4 | 61% | 0.612 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -52.4 | -23.7 | -166.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L52 V58 | L52-A54 PolarHBondContact O-N 3.46Å; A54-V58 VanDerWaalsContact O-CG2 3.26Å; A54-V58 WeakPolarHBondContact O-CG2 3.4Å |
| 55 | H | 42.3 | Very low | 59.9 | Low | 148 Ų | 148 | 65.2 Ų | 65.2 | 69% | 0.685 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -71.3 | -33.3 | 174.2 | -163.6 | -87.2 | 0 | 0 | 0 | 115.1 | S53 | S53-H55 CarbonylContact O-C 3.57Å; S53-H55 PolarHBondContact O-N 2.84Å |
| 56 | E | 52.8 | Low | 61.9 | Low | 58 Ų | 58 | 62 Ų | 62 | 27% | 0.271 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -82.7 | -28.6 | -178.2 | -154.9 | 164.2 | -155.4 | 0 | 0 | 111.7 | L52 S53 N59 A60 T109 H131 | L52-E56 HydrophobicContact CD2-CB 3.91Å; L52-E56 HydrophobicContact CD2-CG 3.82Å; S53-E56 PolarHBondContact O-N 3.04Å; S53-E56 WeakPolarHBondContact OG-CB 3.32Å; E56-N59 PolarHBondContact O-N 3.15Å; E56-A60 PolarHBondContact O-N 2.9Å; E56-T109 HydrophobicContact CG-CG2 4.34Å; E56-H131 IonicContact OE1-CD2 3.37Å; E56-H131 IonicContact OE1-CE1 3.27Å; E56-H131 IonicContact OE1-CG 3.42Å; E56-H131 IonicContact OE1-ND1 2.72Å; E56-H131 IonicContact OE1-NE2 2.73Å |
| 57 | A | 54.2 | Low | 64.1 | Low | 19 Ų | 19 | 61 Ų | 61 | 16% | 0.157 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69 | -31.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L52 S53 N59 A60 P78 | L52-A57 HydrophobicContact CB-CB 4.34Å; S53-A57 PolarHBondContact O-N 3.04Å; A57-N59 VanDerWaalsContact C-N 3.29Å; A57-N59 PolarHBondContact O-N 2.64Å; A57-A60 PolarHBondContact O-N 3.14Å; A57-P78 HydrophobicContact CB-CG 4.48Å |
| 58 | V | 59.4 | Low | 66.3 | Low | 48 Ų | 48 | 57.7 Ų | 57.7 | 29% | 0.291 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71.4 | -23.3 | 178.7 | 170.3 | 0 | 0 | 0 | 0 | 112.4 | A54 L76 | A54-V58 VanDerWaalsContact O-CG2 3.26Å; A54-V58 WeakPolarHBondContact O-CG2 3.4Å; V58-L76 WeakPolarHBondContact CG1-O 3.18Å |
| 59 | N | 66.9 | Low | 68.9 | Low | 110 Ų | 110 | 53 Ų | 53 | 59% | 0.588 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 6.4 | 179 | -66.9 | -25.7 | 0 | 0 | 0 | 113.2 | E56 A57 | E56-N59 PolarHBondContact O-N 3.15Å; A57-N59 VanDerWaalsContact C-N 3.29Å; A57-N59 PolarHBondContact O-N 2.64Å |
| 60 | A | 78.6 | Confident | 71.2 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 11% | 0.107 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 139.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E56 A57 T109 | E56-A60 PolarHBondContact O-N 2.9Å; A57-A60 PolarHBondContact O-N 3.14Å; A60-T109 WeakPolarHBondContact CA-O 3.4Å; A60-T109 HydrophobicContact CB-CG2 3.8Å |
| 61 | T | 89.6 | Confident | 73.6 | Confident | 47 Ų | 47 | 46.5 Ų | 46.5 | 29% | 0.288 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 122.8 | 166.9 | -57.5 | 0 | 0 | 0 | 0 | 108.7 | L63 T72 T109 V110 A111 | T61-L63 HydrophobicContact CG2-CD2 3.95Å; T61-L63 HydrophobicContact CG2-CG 4.34Å; T61-T72 HydrophobicContact CG2-CG2 3.62Å; T61-T109 PolarHBondContact N-O 2.97Å; T61-V110 WeakPolarHBondContact O-CA 3.28Å; T61-A111 PolarHBondContact O-N 2.83Å |
| 62 | L | 92.5 | Very high | 75.9 | Confident | 10 Ų | 10 | 45.6 Ų | 45.6 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 128.2 | 176.3 | 172 | 64.5 | 0 | 0 | 0 | 110 | F64 T72 C73 A87 A111 W113 | L62-F64 HydrophobicContact CD2-CD1 4.3Å; L62-F64 HydrophobicContact CD2-CE1 4.24Å; L62-F64 HydrophobicContact CG-CD1 4.1Å; L62-F64 HydrophobicContact CG-CE1 4.43Å; L62-T72 WeakPolarHBondContact O-CA 3.4Å; L62-C73 HydrophobicContact CB-CB 4.08Å; L62-C73 HydrophobicContact CD2-CB 4.36Å; L62-C73 HydrophobicContact CG-CB 4.42Å; L62-C73 PolarHBondContact N-O 2.64Å; L62-C73 PolarHBondContact O-N 3.19Å; L62-A87 HydrophobicContact CD2-CB 3.86Å; L62-A111 CarbonylContact C-O 3.5Å; L62-A111 WeakPolarHBondContact CA-O 3.43Å; L62-A111 HydrophobicContact CD1-CB 4.18Å; L62-W113 HydrophobicContact CD1-CD2 3.76Å; L62-W113 HydrophobicContact CD1-CE3 4.4Å; L62-W113 HydrophobicContact CD1-CG 3.97Å; L62-W113 HydrophobicContact CD1-CZ2 4.02Å; L62-W113 HydrophobicContact CD2-CH2 3.88Å; L62-W113 HydrophobicContact CD2-CZ2 3.86Å; L62-W113 HydrophobicContact CD2-CZ3 4.22Å |
| 63 | L | 93.8 | Very high | 77.9 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 134.1 | -179.8 | -57.5 | 177.2 | 0 | 0 | 0 | 110.7 | T61 L70 R71 T72 L106 V110 A111 V112 W113 L123 | T61-L63 HydrophobicContact CG2-CD2 3.95Å; T61-L63 HydrophobicContact CG2-CG 4.34Å; L63-L70 HydrophobicContact CB-CD1 4.41Å; L63-L70 HydrophobicContact CD2-CD2 4.31Å; L63-R71 VanDerWaalsContact CA-O 3.3Å; L63-R71 WeakPolarHBondContact CA-O 3.47Å; L63-T72 HydrophobicContact CD2-CG2 3.61Å; L63-T72 VanDerWaalsContact CD2-OG1 3.23Å; L63-T72 WeakPolarHBondContact CD2-OG1 3.1Å; L63-L106 HydrophobicContact CD1-CD2 3.37Å; L63-V110 HydrophobicContact CD1-CG1 3.5Å; L63-V110 HydrophobicContact CG-CG1 3.97Å; L63-A111 PolarHBondContact N-O 3.05Å; L63-V112 HydrophobicContact CB-CG2 4.28Å; L63-V112 HydrophobicContact CD1-CG2 4.4Å; L63-V112 CarbonylContact O-C 3.57Å; L63-V112 VanDerWaalsContact O-CA 3.32Å; L63-V112 WeakPolarHBondContact O-CA 3.46Å; L63-W113 PolarHBondContact O-N 2.77Å; L63-L123 HydrophobicContact CD1-CD2 4.03Å |
| 64 | F | 93.8 | Very high | 80 | Confident | 10 Ų | 10 | 45.4 Ų | 45.4 | 4% | 0.044 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 157.1 | 174 | 62.6 | -91 | 0 | 0 | 0 | 112.1 | L62 R71 A84 A87 W113 | L62-F64 HydrophobicContact CD2-CD1 4.3Å; L62-F64 HydrophobicContact CD2-CE1 4.24Å; L62-F64 HydrophobicContact CG-CD1 4.1Å; L62-F64 HydrophobicContact CG-CE1 4.43Å; F64-R71 HydrophobicContact CD1-CB 4.14Å; F64-R71 HydrophobicContact CD2-CB 3.92Å; F64-R71 HydrophobicContact CE1-CB 3.96Å; F64-R71 HydrophobicContact CE1-CG 3.93Å; F64-R71 HydrophobicContact CE2-CB 3.71Å; F64-R71 HydrophobicContact CE2-CG 3.87Å; F64-R71 HydrophobicContact CG-CB 4.13Å; F64-R71 HydrophobicContact CZ-CB 3.75Å; F64-R71 HydrophobicContact CZ-CG 3.53Å; F64-R71 PolarHBondContact N-O 3.47Å; F64-R71 VanDerWaalsContact N-O 3.07Å; F64-R71 WeakPolarHBondContact O-CB 3.29Å; F64-R71 PolarHBondContact O-N 3.41Å; F64-A84 HydrophobicContact CD2-CB 4.46Å; F64-A84 HydrophobicContact CE2-CB 3.75Å; F64-A84 HydrophobicContact CZ-CB 4.07Å; F64-A87 HydrophobicContact CE1-CB 4.06Å; F64-A87 HydrophobicContact CZ-CB 4.34Å; F64-W113 HydrophobicContact CB-CB 3.83Å; F64-W113 HydrophobicContact CB-CE3 4.29Å; F64-W113 HydrophobicContact CD1-CE3 4.03Å; F64-W113 HydrophobicContact CD1-CZ3 4.4Å; F64-W113 HydrophobicContact CE1-CZ3 4.47Å; F64-W113 HydrophobicContact CG-CE3 4.17Å |
| 65 | D | 92.6 | Very high | 81.8 | Confident | 30 Ų | 30 | 42.4 Ų | 42.4 | 16% | 0.16 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 125.5 | 173.2 | -172.6 | 10.5 | 0 | 0 | 0 | 110.7 | G67 W118 V119 | D65-G67 PolarHBondContact OD1-N 3.31Å; D65-W118 HydrophobicContact CB-CZ2 3.75Å; D65-W118 VanDerWaalsContact CG-CZ2 3.5Å; D65-W118 PolarHBondContact OD2-NE1 2.83Å; D65-V119 HydrophobicContact CB-CG2 4.11Å |
| 66 | S | 89.9 | Confident | 83.7 | Confident | 52 Ų | 52 | 42.7 Ų | 42.7 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | trans | -97.3 | 1.5 | 175.8 | 61 | 0 | 0 | 0 | 0 | 113.3 | A68 G69 | S66-A68 PolarHBondContact O-N 3.14Å; S66-G69 PolarHBondContact N-O 2.7Å; S66-G69 PolarHBondContact OG-O 3.28Å | ||
| 67 | G | 87.3 | Confident | 85.2 | Confident | 70 Ų | 70 | 42.5 Ų | 42.5 | 72% | 0.722 | 28% | 0.279 | S | S | * | . | S | Bend | trans | 81.7 | -29.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D65 | D65-G67 PolarHBondContact OD1-N 3.31Š|
| 68 | A | 86.4 | Confident | 86.5 | Confident | 85 Ų | 85 | 44.3 Ų | 44.3 | 70% | 0.702 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -89.2 | -9.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S66 | S66-A68 PolarHBondContact O-N 3.14Š|
| 69 | G | 89.9 | Confident | 87.9 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | S | Bend | trans | 147.2 | -174.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S66 R71 V96 | S66-G69 PolarHBondContact N-O 2.7Å; S66-G69 PolarHBondContact OG-O 3.28Å; G69-R71 PolarHBondContact O-N 2.88Å; G69-V96 CarbonylContact C-O 3.5Å |
| 70 | L | 92.8 | Very high | 88.9 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 122.5 | 178.2 | -168 | 70.2 | 0 | 0 | 0 | 110.1 | L63 T95 V96 L101 W118 L123 | L63-L70 HydrophobicContact CB-CD1 4.41Å; L63-L70 HydrophobicContact CD2-CD2 4.31Å; L70-T95 WeakPolarHBondContact O-CA 3.22Å; L70-V96 PolarHBondContact N-O 3.47Å; L70-V96 PolarHBondContact O-N 2.82Å; L70-L101 HydrophobicContact CB-CD2 3.65Å; L70-L101 HydrophobicContact CD2-CD2 3.46Å; L70-L101 VanDerWaalsContact CD2-CD2 3.46Å; L70-L101 HydrophobicContact CG-CD2 4.2Å; L70-W118 HydrophobicContact CB-CH2 4.2Å; L70-W118 HydrophobicContact CD1-CH2 3.99Å; L70-L123 HydrophobicContact CD1-CD2 3.93Å; L70-L123 HydrophobicContact CD2-CD1 3.87Å; L70-L123 HydrophobicContact CD2-CD2 3.75Å; L70-L123 HydrophobicContact CD2-CG 4.43Å |
| 71 | R | 93.1 | Very high | 89.5 | Confident | 46 Ų | 46 | 41.1 Ų | 41.1 | 17% | 0.174 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 128 | 172.1 | -153.8 | 69.9 | 169.2 | 119 | 11.2 | 108.9 | L63 F64 G69 D88 C93 S94 T95 | L63-R71 VanDerWaalsContact CA-O 3.3Å; L63-R71 WeakPolarHBondContact CA-O 3.47Å; F64-R71 HydrophobicContact CD1-CB 4.14Å; F64-R71 HydrophobicContact CD2-CB 3.92Å; F64-R71 HydrophobicContact CE1-CB 3.96Å; F64-R71 HydrophobicContact CE1-CG 3.93Å; F64-R71 HydrophobicContact CE2-CB 3.71Å; F64-R71 HydrophobicContact CE2-CG 3.87Å; F64-R71 HydrophobicContact CG-CB 4.13Å; F64-R71 HydrophobicContact CZ-CB 3.75Å; F64-R71 HydrophobicContact CZ-CG 3.53Å; F64-R71 PolarHBondContact N-O 3.47Å; F64-R71 VanDerWaalsContact N-O 3.07Å; F64-R71 WeakPolarHBondContact O-CB 3.29Å; F64-R71 PolarHBondContact O-N 3.41Å; G69-R71 PolarHBondContact O-N 2.88Å; R71-D88 IonicContact CZ-OD1 3.64Å; R71-D88 IonicContact NE-OD1 3.89Å; R71-D88 PolarHBondContact NE-OD1 2.84Å; R71-D88 VanDerWaalsContact NE-OD1 3.16Å; R71-D88 IonicContact NH2-OD1 3.87Å; R71-D88 PolarHBondContact NH2-OD1 3.34Å; R71-C93 HydrophobicContact CG-CB 4.36Å; R71-C93 VanDerWaalsContact CZ-CB 3.44Å; R71-C93 VanDerWaalsContact NH1-C 3.27Å; R71-C93 PolarHBondContact NH1-O 3.42Å; R71-C93 VanDerWaalsContact NH1-O 3.11Å; R71-C93 VanDerWaalsContact NH2-CB 3.26Å; R71-S94 CarbonylContact C-O 3.58Å; R71-S94 WeakPolarHBondContact CA-O 3.17Å; R71-S94 VanDerWaalsContact NH1-CA 3.26Å; R71-S94 PolarHBondContact NH1-O 2.64Å; R71-T95 WeakPolarHBondContact CD-OG1 3.36Å; R71-T95 PolarHBondContact NE-OG1 3.45Å; R71-T95 PolarHBondContact NH1-OG1 2.87Å |
| 72 | T | 92.5 | Very high | 89.6 | Confident | 37 Ų | 37 | 41.1 Ų | 41.1 | 23% | 0.227 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 116.9 | 178.2 | -57.9 | 0 | 0 | 0 | 0 | 109.5 | T61 L62 L63 C93 S94 | T61-T72 HydrophobicContact CG2-CG2 3.62Å; L62-T72 WeakPolarHBondContact O-CA 3.4Å; L63-T72 HydrophobicContact CD2-CG2 3.61Å; L63-T72 VanDerWaalsContact CD2-OG1 3.23Å; L63-T72 WeakPolarHBondContact CD2-OG1 3.1Å; T72-C93 CarbonylContact O-C 3.52Å; T72-C93 VanDerWaalsContact O-CA 3.3Å; T72-C93 WeakPolarHBondContact O-CA 3.4Å; T72-S94 PolarHBondContact N-O 2.96Å; T72-S94 PolarHBondContact O-N 3Å; T72-S94 PolarHBondContact O-OG 3.31Å |
| 73 | C | 91.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.007 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 135.6 | -172.8 | -64.3 | 0 | 0 | 0 | 0 | 111.4 | L62 C91 R92 C93 | L62-C73 HydrophobicContact CB-CB 4.08Å; L62-C73 HydrophobicContact CD2-CB 4.36Å; L62-C73 HydrophobicContact CG-CB 4.42Å; L62-C73 PolarHBondContact N-O 2.64Å; L62-C73 PolarHBondContact O-N 3.19Å; C73-C91 HydrophobicContact CB-CB 4.02Å; C73-R92 WeakPolarHBondContact CA-O 3.4Å; C73-C93 HydrophobicContact CB-CB 4.15Å; C73-C93 WeakPolarHBondContact CB-SG 3.41Å; C73-C93 WeakPolarHBondContact SG-CB 3.34Å; C73-C93 CovalentContact SG-SG 2.03Å; C73-C93 PolarHBondContact SG-SG 3.27Å |
| 74 | S | 90.3 | Very high | 89.5 | Confident | 78 Ų | 78 | 44.8 Ų | 44.8 | 55% | 0.545 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 117.8 | 166.6 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | C91 R92 | S74-C91 WeakPolarHBondContact O-CA 3.2Å; S74-C91 WeakPolarHBondContact O-CB 3.49Å; S74-R92 PolarHBondContact N-O 3.25Å; S74-R92 PolarHBondContact O-N 2.83Å |
| 75 | C | 87 | Confident | 89.4 | Confident | 10 Ų | 10 | 47.9 Ų | 47.9 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 138.5 | -172.8 | -59.1 | 0 | 0 | 0 | 0 | 110.3 | A77 V79 C91 | C75-A77 WeakPolarHBondContact CB-O 3.31Å; C75-V79 HydrophobicContact CB-CG2 4.39Å; C75-C91 VanDerWaalsContact CA-SG 3.56Å; C75-C91 HydrophobicContact CB-CB 3.96Å; C75-C91 WeakPolarHBondContact CB-SG 3.29Å; C75-C91 WeakPolarHBondContact SG-CB 3.35Å; C75-C91 CovalentContact SG-SG 2.02Å; C75-C91 PolarHBondContact SG-SG 2.72Å |
| 76 | L | 82.8 | Confident | 89.3 | Confident | 155 Ų | 155 | 48.1 Ų | 48.1 | 81% | 0.812 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -88 | -10 | 175.4 | -64.3 | 174.8 | 0 | 0 | 0 | 113.1 | V58 | V58-L76 WeakPolarHBondContact CG1-O 3.18Š|
| 77 | A | 83.2 | Confident | 89.4 | Confident | 53 Ų | 53 | 45.7 Ų | 45.7 | 44% | 0.438 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -143.5 | 156.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | C75 | C75-A77 WeakPolarHBondContact CB-O 3.31Š|
| 78 | P | 82.3 | Confident | 89.6 | Confident | 57 Ų | 57 | 45.9 Ų | 45.9 | 37% | 0.37 | 30% | 0.295 | S | S | . | . | trans | -56.9 | 138.9 | 173.8 | -23.3 | 33.8 | 0 | 0 | 0 | 111.7 | M51 A57 | M51-P78 HydrophobicContact SD-CB 4.27Å; A57-P78 HydrophobicContact CB-CG 4.48Å | ||
| 79 | V | 88.1 | Confident | 89.9 | Confident | 16 Ų | 16 | 46.2 Ų | 46.2 | 10% | 0.097 | 29% | 0.292 | C | S | . | . | trans | -110.4 | 138 | 172.6 | -175.7 | 0 | 0 | 0 | 0 | 107.9 | C75 D81 Q86 A87 C91 W113 | C75-V79 HydrophobicContact CB-CG2 4.39Å; V79-D81 PolarHBondContact O-N 3.43Å; V79-Q86 HydrophobicContact CG1-CB 4.12Å; V79-Q86 HydrophobicContact CG1-CG 4.2Å; V79-A87 HydrophobicContact CG1-CB 4.15Å; V79-C91 VanDerWaalsContact CG2-SG 3.54Å; V79-W113 HydrophobicContact CB-CH2 4.48Å; V79-W113 HydrophobicContact CB-CZ2 4.48Å; V79-W113 HydrophobicContact CG1-CH2 3.85Å; V79-W113 HydrophobicContact CG1-CZ2 4.27Å | ||
| 80 | P | 89.6 | Confident | 90 | Very high | 60 Ų | 60 | 53.5 Ų | 53.5 | 39% | 0.39 | 32% | 0.318 | S | S | . | . | trans | -52.8 | 135.1 | 171.6 | -25.5 | 35.4 | 0 | 0 | 0 | 110.7 | D83 Q86 W113 | P80-D83 HydrophobicContact CB-CB 4.34Å; P80-D83 PolarHBondContact O-N 3.1Å; P80-Q86 VanDerWaalsContact CD-CD 3.44Å; P80-Q86 VanDerWaalsContact CG-OE1 3.28Å; P80-W113 WeakPolarHBondContact O-CH2 3.43Å; P80-W113 WeakPolarHBondContact O-CZ2 3.23Å | ||
| 81 | D | 90.3 | Very high | 89.9 | Confident | 28 Ų | 28 | 54 Ų | 54 | 15% | 0.15 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 142.3 | 177.8 | -73.5 | -51.8 | 0 | 0 | 0 | 110.7 | V79 D83 W113 R133 S135 H158 | V79-D81 PolarHBondContact O-N 3.43Å; D81-D83 PolarHBondContact O-N 2.89Å; D81-W113 PolarHBondContact OD1-NE1 3.45Å; D81-R133 IonicContact OD1-NE 2.69Å; D81-R133 IonicContact OD2-CZ 3.94Å; D81-R133 IonicContact OD2-NE 3.16Å; D81-R133 PolarHBondContact OD2-NE 2.92Å; D81-R133 IonicContact OD2-NH2 3.67Å; D81-R133 PolarHBondContact OD2-NH2 3.46Å; D81-S135 WeakPolarHBondContact OD1-CB 3.41Å; D81-S135 PolarHBondContact OD1-OG 3.11Å; D81-S135 PolarHBondContact OD2-OG 3.17Å; D81-H158 IonicContact OD2-CD2 3.53Å; D81-H158 IonicContact OD2-CG 3.45Å |
| 82 | C | 90.8 | Very high | 89.9 | Confident | 48 Ų | 48 | 62.2 Ų | 62.2 | 32% | 0.324 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 16.3 | 177.4 | -48.4 | 0 | 0 | 0 | 0 | 116 | C137 | C82-C137 WeakPolarHBondContact CA-SG 3.26Å; C82-C137 HydrophobicContact CB-CB 3.65Å; C82-C137 WeakPolarHBondContact CB-SG 3.39Å; C82-C137 WeakPolarHBondContact SG-CA 3.47Å; C82-C137 WeakPolarHBondContact SG-CB 3.29Å; C82-C137 CovalentContact SG-SG 2.03Å; C82-C137 PolarHBondContact SG-SG 2.78Å |
| 83 | D | 92 | Very high | 89.9 | Confident | 53 Ų | 53 | 61.8 Ų | 61.8 | 28% | 0.283 | 35% | 0.351 | S | S | . | . | trans | -107.4 | 82.7 | 174.1 | -171 | -14.1 | 0 | 0 | 0 | 111.5 | P80 D81 A85 Q86 A87 W113 | P80-D83 HydrophobicContact CB-CB 4.34Å; P80-D83 PolarHBondContact O-N 3.1Å; D81-D83 PolarHBondContact O-N 2.89Å; D83-A85 VanDerWaalsContact C-N 3.33Å; D83-A85 PolarHBondContact O-N 3.31Å; D83-A85 PolarHBondContact OD1-N 2.85Å; D83-Q86 HydrophobicContact CB-CB 4Å; D83-Q86 PolarHBondContact O-N 3.37Å; D83-Q86 VanDerWaalsContact OD1-CB 3.32Å; D83-Q86 WeakPolarHBondContact OD1-CB 3.4Å; D83-Q86 PolarHBondContact OD1-N 2.77Å; D83-Q86 WeakPolarHBondContact OD2-CB 3.47Å; D83-Q86 PolarHBondContact OD2-NE2 3.23Å; D83-A87 PolarHBondContact O-N 2.96Å; D83-W113 VanDerWaalsContact C-CZ3 3.48Å; D83-W113 WeakPolarHBondContact O-CH2 3.29Å | ||
| 84 | A | 92.1 | Very high | 89.9 | Confident | 40 Ų | 40 | 64.8 Ų | 64.8 | 33% | 0.331 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.3 | -37 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | F64 Q86 A87 D88 | F64-A84 HydrophobicContact CD2-CB 4.46Å; F64-A84 HydrophobicContact CE2-CB 3.75Å; F64-A84 HydrophobicContact CZ-CB 4.07Å; A84-Q86 VanDerWaalsContact C-N 3.3Å; A84-Q86 PolarHBondContact O-N 2.73Å; A84-A87 PolarHBondContact O-N 3.37Å; A84-D88 PolarHBondContact O-N 3.1Å |
| 85 | A | 92.1 | Very high | 90 | Very high | 75 Ų | 75 | 64.1 Ų | 64.1 | 62% | 0.62 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65.1 | -37.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D83 S89 | D83-A85 VanDerWaalsContact C-N 3.33Å; D83-A85 PolarHBondContact O-N 3.31Å; D83-A85 PolarHBondContact OD1-N 2.85Å; A85-S89 WeakPolarHBondContact O-CB 3.44Å; A85-S89 PolarHBondContact O-N 2.82Å; A85-S89 PolarHBondContact O-OG 3.34Å |
| 86 | Q | 92.1 | Very high | 90.2 | Very high | 36 Ų | 36 | 66 Ų | 66 | 17% | 0.168 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -72.9 | -35.4 | 175.2 | -163.8 | 173.8 | 139.6 | 0 | 0 | 112.5 | V79 P80 D83 A84 S89 R90 | V79-Q86 HydrophobicContact CG1-CB 4.12Å; V79-Q86 HydrophobicContact CG1-CG 4.2Å; P80-Q86 VanDerWaalsContact CD-CD 3.44Å; P80-Q86 VanDerWaalsContact CG-OE1 3.28Å; D83-Q86 HydrophobicContact CB-CB 4Å; D83-Q86 PolarHBondContact O-N 3.37Å; D83-Q86 VanDerWaalsContact OD1-CB 3.32Å; D83-Q86 WeakPolarHBondContact OD1-CB 3.4Å; D83-Q86 PolarHBondContact OD1-N 2.77Å; D83-Q86 WeakPolarHBondContact OD2-CB 3.47Å; D83-Q86 PolarHBondContact OD2-NE2 3.23Å; A84-Q86 VanDerWaalsContact C-N 3.3Å; A84-Q86 PolarHBondContact O-N 2.73Å; Q86-S89 WeakPolarHBondContact CA-OG 3.46Å; Q86-S89 PolarHBondContact O-N 3.35Å; Q86-S89 PolarHBondContact O-OG 3.16Å; Q86-S89 VanDerWaalsContact O-OG 3.12Å; Q86-R90 HydrophobicContact CG-CG 4.33Å; Q86-R90 WeakPolarHBondContact O-CB 3.25Å; Q86-R90 WeakPolarHBondContact O-CG 3.44Å; Q86-R90 PolarHBondContact O-N 3.27Å; Q86-R90 VanDerWaalsContact O-N 3.09Å |
| 87 | A | 92 | Very high | 90.5 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.5 | -49.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L62 F64 V79 D83 A84 S89 R90 C91 W113 | L62-A87 HydrophobicContact CD2-CB 3.86Å; F64-A87 HydrophobicContact CE1-CB 4.06Å; F64-A87 HydrophobicContact CZ-CB 4.34Å; V79-A87 HydrophobicContact CG1-CB 4.15Å; D83-A87 PolarHBondContact O-N 2.96Å; A84-A87 PolarHBondContact O-N 3.37Å; A87-S89 VanDerWaalsContact C-N 3.27Å; A87-S89 PolarHBondContact O-N 2.66Å; A87-R90 PolarHBondContact O-N 2.89Å; A87-C91 WeakPolarHBondContact O-CB 3.3Å; A87-C91 PolarHBondContact O-N 3.34Å; A87-C91 PolarHBondContact O-SG 2.92Å; A87-C91 VanDerWaalsContact O-SG 3.41Å; A87-W113 HydrophobicContact CB-CH2 4.09Å; A87-W113 HydrophobicContact CB-CZ3 4.16Å |
| 88 | D | 91.4 | Very high | 90.7 | Very high | 75 Ų | 75 | 64.3 Ų | 64.3 | 40% | 0.401 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.2 | -30.6 | -179 | -82.1 | -43.8 | 0 | 0 | 0 | 113.1 | R71 A84 | R71-D88 IonicContact CZ-OD1 3.64Å; R71-D88 IonicContact NE-OD1 3.89Å; R71-D88 PolarHBondContact NE-OD1 2.84Å; R71-D88 VanDerWaalsContact NE-OD1 3.16Å; R71-D88 IonicContact NH2-OD1 3.87Å; R71-D88 PolarHBondContact NH2-OD1 3.34Å; A84-D88 PolarHBondContact O-N 3.1Å |
| 89 | S | 91.8 | Very high | 90.8 | Very high | 92 Ų | 92 | 67.3 Ų | 67.3 | 64% | 0.643 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -84 | -26 | 179.8 | 57.8 | 0 | 0 | 0 | 0 | 114.1 | A85 Q86 A87 | A85-S89 WeakPolarHBondContact O-CB 3.44Å; A85-S89 PolarHBondContact O-N 2.82Å; A85-S89 PolarHBondContact O-OG 3.34Å; Q86-S89 WeakPolarHBondContact CA-OG 3.46Å; Q86-S89 PolarHBondContact O-N 3.35Å; Q86-S89 PolarHBondContact O-OG 3.16Å; Q86-S89 VanDerWaalsContact O-OG 3.12Å; A87-S89 VanDerWaalsContact C-N 3.27Å; A87-S89 PolarHBondContact O-N 2.66Å |
| 90 | R | 91 | Very high | 90.6 | Very high | 157 Ų | 157 | 69.4 Ų | 69.4 | 59% | 0.592 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -106.4 | -16 | -175.4 | -63.1 | -173 | -178.9 | -178.3 | 4.4 | 114.2 | Q86 A87 | Q86-R90 HydrophobicContact CG-CG 4.33Å; Q86-R90 WeakPolarHBondContact O-CB 3.25Å; Q86-R90 WeakPolarHBondContact O-CG 3.44Å; Q86-R90 PolarHBondContact O-N 3.27Å; Q86-R90 VanDerWaalsContact O-N 3.09Å; A87-R90 PolarHBondContact O-N 2.89Å |
| 91 | C | 91.8 | Very high | 90.1 | Very high | 16 Ų | 16 | 68.7 Ų | 68.7 | 11% | 0.108 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 161 | -172.9 | -49.6 | 0 | 0 | 0 | 0 | 112.1 | C73 S74 C75 V79 A87 C93 | C73-C91 HydrophobicContact CB-CB 4.02Å; S74-C91 WeakPolarHBondContact O-CA 3.2Å; S74-C91 WeakPolarHBondContact O-CB 3.49Å; C75-C91 VanDerWaalsContact CA-SG 3.56Å; C75-C91 HydrophobicContact CB-CB 3.96Å; C75-C91 WeakPolarHBondContact CB-SG 3.29Å; C75-C91 WeakPolarHBondContact SG-CB 3.35Å; C75-C91 CovalentContact SG-SG 2.02Å; C75-C91 PolarHBondContact SG-SG 2.72Å; V79-C91 VanDerWaalsContact CG2-SG 3.54Å; A87-C91 WeakPolarHBondContact O-CB 3.3Å; A87-C91 PolarHBondContact O-N 3.34Å; A87-C91 PolarHBondContact O-SG 2.92Å; A87-C91 VanDerWaalsContact O-SG 3.41Å; C91-C93 PolarHBondContact O-N 2.76Å |
| 92 | R | 92.6 | Very high | 89.5 | Confident | 219 Ų | 219 | 71.8 Ų | 71.8 | 83% | 0.826 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 105.6 | 169.3 | -68.3 | -177.8 | 177.5 | -179 | -0.2 | 108.4 | C73 S74 | C73-R92 WeakPolarHBondContact CA-O 3.4Å; S74-R92 PolarHBondContact N-O 3.25Å; S74-R92 PolarHBondContact O-N 2.83Å |
| 93 | C | 93.1 | Very high | 88.6 | Confident | 28 Ų | 28 | 74.9 Ų | 74.9 | 19% | 0.189 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 136 | -173.9 | -61.6 | 0 | 0 | 0 | 0 | 112.6 | R71 T72 C73 C91 | R71-C93 HydrophobicContact CG-CB 4.36Å; R71-C93 VanDerWaalsContact CZ-CB 3.44Å; R71-C93 VanDerWaalsContact NH1-C 3.27Å; R71-C93 PolarHBondContact NH1-O 3.42Å; R71-C93 VanDerWaalsContact NH1-O 3.11Å; R71-C93 VanDerWaalsContact NH2-CB 3.26Å; T72-C93 CarbonylContact O-C 3.52Å; T72-C93 VanDerWaalsContact O-CA 3.3Å; T72-C93 WeakPolarHBondContact O-CA 3.4Å; C73-C93 HydrophobicContact CB-CB 4.15Å; C73-C93 WeakPolarHBondContact CB-SG 3.41Å; C73-C93 WeakPolarHBondContact SG-CB 3.34Å; C73-C93 CovalentContact SG-SG 2.03Å; C73-C93 PolarHBondContact SG-SG 3.27Å; C91-C93 PolarHBondContact O-N 2.76Å |
| 94 | S | 92.3 | Very high | 87.2 | Confident | 65 Ų | 65 | 76.4 Ų | 76.4 | 46% | 0.455 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 153.9 | 172.4 | 62.7 | 0 | 0 | 0 | 0 | 109.8 | R71 T72 | R71-S94 CarbonylContact C-O 3.58Å; R71-S94 WeakPolarHBondContact CA-O 3.17Å; R71-S94 VanDerWaalsContact NH1-CA 3.26Å; R71-S94 PolarHBondContact NH1-O 2.64Å; T72-S94 PolarHBondContact N-O 2.96Å; T72-S94 PolarHBondContact O-N 3Å; T72-S94 PolarHBondContact O-OG 3.31Å |
| 95 | T | 92.8 | Very high | 85.9 | Confident | 64 Ų | 64 | 78.7 Ų | 78.7 | 39% | 0.393 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128.6 | 177.9 | -50.9 | 0 | 0 | 0 | 0 | 109 | L70 R71 | L70-T95 WeakPolarHBondContact O-CA 3.22Å; R71-T95 WeakPolarHBondContact CD-OG1 3.36Å; R71-T95 PolarHBondContact NE-OG1 3.45Å; R71-T95 PolarHBondContact NH1-OG1 2.87Å |
| 96 | V | 90.2 | Very high | 85.2 | Confident | 49 Ų | 49 | 76.1 Ų | 76.1 | 30% | 0.297 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 128.9 | 176.1 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | G69 L70 A100 L101 | G69-V96 CarbonylContact C-O 3.5Å; L70-V96 PolarHBondContact N-O 3.47Å; L70-V96 PolarHBondContact O-N 2.82Å; V96-A100 HydrophobicContact CG1-CB 4.05Å; V96-L101 HydrophobicContact CB-CD2 4.49Å; V96-L101 HydrophobicContact CG1-CD2 4.26Å |
| 97 | P | 89.4 | Confident | 84.5 | Confident | 67 Ų | 67 | 75.8 Ų | 75.8 | 44% | 0.435 | 43% | 0.426 | S | S | . | . | trans | -63.9 | 146.1 | 177.5 | 26.4 | -32.5 | 0 | 0 | 0 | 110.3 | S99 A100 | P97-S99 PolarHBondContact O-N 3.45Å; P97-S99 VanDerWaalsContact O-N 3.1Å; P97-A100 HydrophobicContact CG-CB 3.88Å; P97-A100 PolarHBondContact O-N 3.31Å | ||
| 98 | R | 87.9 | Confident | 84.2 | Confident | 106 Ų | 106 | 83.7 Ų | 83.7 | 40% | 0.4 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -54 | -33.6 | -177.8 | -178.7 | 170.3 | 168.5 | 179.8 | -6.8 | 113.6 | A100 L101 W118 E122 | R98-A100 PolarHBondContact O-N 3.22Å; R98-L101 HydrophobicContact CB-CD1 4.36Å; R98-L101 HydrophobicContact CG-CD1 4.07Å; R98-L101 VanDerWaalsContact O-CG 3.29Å; R98-L101 WeakPolarHBondContact O-CG 3.4Å; R98-L101 PolarHBondContact O-N 3.32Å; R98-W118 HydrophobicContact CG-CE3 4.2Å; R98-W118 HydrophobicContact CG-CH2 4.43Å; R98-W118 HydrophobicContact CG-CZ3 4.06Å; R98-W118 VanDerWaalsContact CZ-CB 3.49Å; R98-E122 IonicContact CZ-OE1 3.71Å; R98-E122 IonicContact CZ-OE2 3.47Å; R98-E122 IonicContact NE-OE1 3.68Å; R98-E122 IonicContact NE-OE2 3.45Å; R98-E122 PolarHBondContact NE-OE2 3.08Å; R98-E122 IonicContact NH2-OE1 3.85Å; R98-E122 PolarHBondContact NH2-OE1 2.82Å; R98-E122 IonicContact NH2-OE2 2.83Å; R98-E122 PolarHBondContact NH2-OE2 2.9Å |
| 99 | S | 83.8 | Confident | 84.1 | Confident | 119 Ų | 119 | 81 Ų | 81 | 83% | 0.832 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -69.4 | -17 | 177.5 | 54.8 | 0 | 0 | 0 | 0 | 114.7 | P97 | P97-S99 PolarHBondContact O-N 3.45Å; P97-S99 VanDerWaalsContact O-N 3.1Å |
| 100 | A | 83.3 | Confident | 84.1 | Confident | 61 Ų | 61 | 76.8 Ų | 76.8 | 50% | 0.504 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -107.9 | 17.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V96 P97 R98 | V96-A100 HydrophobicContact CG1-CB 4.05Å; P97-A100 HydrophobicContact CG-CB 3.88Å; P97-A100 PolarHBondContact O-N 3.31Å; R98-A100 PolarHBondContact O-N 3.22Å |
| 101 | L | 80.3 | Confident | 84.2 | Confident | 45 Ų | 45 | 69.9 Ų | 69.9 | 24% | 0.236 | 39% | 0.389 | C | S | . | . | trans | -73.2 | 128.1 | -179.1 | -68.3 | 176.6 | 0 | 0 | 0 | 111.7 | L70 V96 R98 W118 | L70-L101 HydrophobicContact CB-CD2 3.65Å; L70-L101 HydrophobicContact CD2-CD2 3.46Å; L70-L101 VanDerWaalsContact CD2-CD2 3.46Å; L70-L101 HydrophobicContact CG-CD2 4.2Å; V96-L101 HydrophobicContact CB-CD2 4.49Å; V96-L101 HydrophobicContact CG1-CD2 4.26Å; R98-L101 HydrophobicContact CB-CD1 4.36Å; R98-L101 HydrophobicContact CG-CD1 4.07Å; R98-L101 VanDerWaalsContact O-CG 3.29Å; R98-L101 WeakPolarHBondContact O-CG 3.4Å; R98-L101 PolarHBondContact O-N 3.32Å; L101-W118 HydrophobicContact CD1-CH2 4Å; L101-W118 HydrophobicContact CD1-CZ3 3.49Å; L101-W118 VanDerWaalsContact CD1-CZ3 3.49Å | ||
| 102 | D | 76.6 | Confident | 84.4 | Confident | 93 Ų | 93 | 69.1 Ų | 69.1 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | trans | -109.7 | 111.4 | 172.7 | -177.9 | 10.8 | 0 | 0 | 0 | 110.8 | A104 S105 | D102-A104 PolarHBondContact O-N 3.39Å; D102-A104 WeakPolarHBondContact OD1-CB 3.47Å; D102-A104 PolarHBondContact OD1-N 3.11Å; D102-S105 PolarHBondContact O-N 2.97Å; D102-S105 PolarHBondContact O-OG 2.8Å | ||
| 103 | R | 72.1 | Confident | 84.5 | Confident | 113 Ų | 113 | 59.1 Ų | 59.1 | 43% | 0.426 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -64.4 | -26.8 | 177.1 | -67.5 | -175.4 | -73 | -129.9 | 1 | 112.8 | S105 E122 | R103-S105 PolarHBondContact O-N 3.15Å; R103-E122 WeakPolarHBondContact CD-O 3.22Å |
| 104 | A | 62.2 | Low | 84.5 | Confident | 84 Ų | 84 | 57.8 Ų | 57.8 | 69% | 0.694 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -74.1 | -16.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D102 | D102-A104 PolarHBondContact O-N 3.39Å; D102-A104 WeakPolarHBondContact OD1-CB 3.47Å; D102-A104 PolarHBondContact OD1-N 3.11Å |
| 105 | S | 65.4 | Low | 84.4 | Confident | 88 Ų | 88 | 57.1 Ų | 57.1 | 62% | 0.615 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -88.8 | 2.5 | -178.5 | 73 | 0 | 0 | 0 | 0 | 114.7 | D102 R103 G107 | D102-S105 PolarHBondContact O-N 2.97Å; D102-S105 PolarHBondContact O-OG 2.8Å; R103-S105 PolarHBondContact O-N 3.15Å; S105-G107 PolarHBondContact O-N 2.85Å |
| 106 | L | 77.5 | Confident | 84.2 | Confident | 21 Ų | 21 | 59.1 Ų | 59.1 | 11% | 0.11 | 34% | 0.338 | C | S | . | . | trans | -63.4 | 122.7 | 177 | -79.3 | 159.8 | 0 | 0 | 0 | 109.3 | L63 V110 L123 L124 | L63-L106 HydrophobicContact CD1-CD2 3.37Å; L106-V110 HydrophobicContact CD2-CG1 4.26Å; L106-V110 HydrophobicContact CD2-CG2 4.33Å; L106-L123 HydrophobicContact CD1-CD1 4.16Å; L106-L123 HydrophobicContact CD1-CG 4.35Å; L106-L123 WeakPolarHBondContact CD1-O 3.34Å; L106-L123 HydrophobicContact CD2-CD1 4.16Å; L106-L123 HydrophobicContact CD2-CG 4.4Å; L106-L123 HydrophobicContact CG-CD1 4.35Å; L106-L124 HydrophobicContact CD1-CD2 4.24Å | ||
| 107 | G | 77.1 | Confident | 84.1 | Confident | 29 Ų | 29 | 59.4 Ų | 59.4 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | trans | -62.3 | 170.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S105 T109 V110 | S105-G107 PolarHBondContact O-N 2.85Å; G107-T109 VanDerWaalsContact C-N 3.32Å; G107-T109 PolarHBondContact O-N 2.84Å; G107-V110 VanDerWaalsContact O-CG2 3.22Å; G107-V110 WeakPolarHBondContact O-CG2 3.37Å | ||
| 108 | R | 84.9 | Confident | 84.1 | Confident | 167 Ų | 167 | 57.2 Ų | 57.2 | 63% | 0.63 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -66.1 | -35.1 | -179.1 | -159.3 | -178 | 93.8 | 166.1 | 7 | 113.1 | A130 H131 | R108-A130 HydrophobicContact CG-CB 3.65Å; R108-A130 PolarHBondContact O-N 3.26Å; R108-A130 VanDerWaalsContact O-N 3.1Å; R108-H131 PolarHBondContact O-N 2.88Å |
| 109 | T | 89.9 | Confident | 84.3 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 12% | 0.117 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 115.5 | 180 | -57.2 | 0 | 0 | 0 | 0 | 108.8 | E56 A60 T61 G107 H131 | E56-T109 HydrophobicContact CG-CG2 4.34Å; A60-T109 WeakPolarHBondContact CA-O 3.4Å; A60-T109 HydrophobicContact CB-CG2 3.8Å; T61-T109 PolarHBondContact N-O 2.97Å; G107-T109 VanDerWaalsContact C-N 3.32Å; G107-T109 PolarHBondContact O-N 2.84Å; T109-H131 WeakPolarHBondContact CA-O 3.5Å; T109-H131 HydrophobicContact CG2-CB 4.01Å |
| 110 | V | 92 | Very high | 84.7 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 134.5 | -172.5 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | T61 L63 L106 G107 V112 V129 H131 L132 R133 | T61-V110 WeakPolarHBondContact O-CA 3.28Å; L63-V110 HydrophobicContact CD1-CG1 3.5Å; L63-V110 HydrophobicContact CG-CG1 3.97Å; L106-V110 HydrophobicContact CD2-CG1 4.26Å; L106-V110 HydrophobicContact CD2-CG2 4.33Å; G107-V110 VanDerWaalsContact O-CG2 3.22Å; G107-V110 WeakPolarHBondContact O-CG2 3.37Å; V110-V112 HydrophobicContact CG1-CG2 3.6Å; V110-V129 HydrophobicContact CB-CG2 4.12Å; V110-V129 HydrophobicContact CG2-CG2 3.94Å; V110-H131 PolarHBondContact N-O 3.28Å; V110-L132 HydrophobicContact CB-CD1 4.35Å; V110-L132 WeakPolarHBondContact O-CA 3.44Å; V110-R133 PolarHBondContact O-N 2.91Å |
| 111 | A | 94 | Very high | 84.9 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 10% | 0.099 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 129 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | T61 L62 L63 R133 | T61-A111 PolarHBondContact O-N 2.83Å; L62-A111 CarbonylContact C-O 3.5Å; L62-A111 WeakPolarHBondContact CA-O 3.43Å; L62-A111 HydrophobicContact CD1-CB 4.18Å; L63-A111 PolarHBondContact N-O 3.05Å; A111-R133 CarbonylContact C-O 3.45Å; A111-R133 WeakPolarHBondContact CA-O 3.46Å; A111-R133 HydrophobicContact CB-CB 4.16Å |
| 112 | V | 94.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 123.1 | -178.7 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | L63 V110 V114 V119 L124 L132 R133 L134 S135 | L63-V112 HydrophobicContact CB-CG2 4.28Å; L63-V112 HydrophobicContact CD1-CG2 4.4Å; L63-V112 CarbonylContact O-C 3.57Å; L63-V112 VanDerWaalsContact O-CA 3.32Å; L63-V112 WeakPolarHBondContact O-CA 3.46Å; V110-V112 HydrophobicContact CG1-CG2 3.6Å; V112-V114 HydrophobicContact CG1-CG2 4.18Å; V112-V119 HydrophobicContact CG1-CG1 3.42Å; V112-V119 VanDerWaalsContact CG1-CG1 3.42Å; V112-L124 HydrophobicContact CB-CD1 4.37Å; V112-L124 HydrophobicContact CG1-CD1 4.31Å; V112-L124 HydrophobicContact CG2-CD1 4.11Å; V112-L124 HydrophobicContact CG2-CD2 4.17Å; V112-L132 HydrophobicContact CG2-CD1 3.95Å; V112-R133 PolarHBondContact N-O 3.01Å; V112-L134 HydrophobicContact CB-CD2 3.9Å; V112-L134 HydrophobicContact CG2-CD2 4.43Å; V112-L134 WeakPolarHBondContact O-CA 3.3Å; V112-S135 PolarHBondContact O-N 3.46Å |
| 113 | W | 95 | Very high | 85.9 | Confident | 9 Ų | 9 | 45.5 Ų | 45.5 | 3% | 0.034 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 124.3 | 169.5 | -60.5 | -13 | 0 | 0 | 0 | 109.7 | L62 L63 F64 V79 P80 D81 D83 A87 S135 | L62-W113 HydrophobicContact CD1-CD2 3.76Å; L62-W113 HydrophobicContact CD1-CE3 4.4Å; L62-W113 HydrophobicContact CD1-CG 3.97Å; L62-W113 HydrophobicContact CD1-CZ2 4.02Å; L62-W113 HydrophobicContact CD2-CH2 3.88Å; L62-W113 HydrophobicContact CD2-CZ2 3.86Å; L62-W113 HydrophobicContact CD2-CZ3 4.22Å; L63-W113 PolarHBondContact O-N 2.77Å; F64-W113 HydrophobicContact CB-CB 3.83Å; F64-W113 HydrophobicContact CB-CE3 4.29Å; F64-W113 HydrophobicContact CD1-CE3 4.03Å; F64-W113 HydrophobicContact CD1-CZ3 4.4Å; F64-W113 HydrophobicContact CE1-CZ3 4.47Å; F64-W113 HydrophobicContact CG-CE3 4.17Å; V79-W113 HydrophobicContact CB-CH2 4.48Å; V79-W113 HydrophobicContact CB-CZ2 4.48Å; V79-W113 HydrophobicContact CG1-CH2 3.85Å; V79-W113 HydrophobicContact CG1-CZ2 4.27Å; P80-W113 WeakPolarHBondContact O-CH2 3.43Å; P80-W113 WeakPolarHBondContact O-CZ2 3.23Å; D81-W113 PolarHBondContact OD1-NE1 3.45Å; D83-W113 VanDerWaalsContact C-CZ3 3.48Å; D83-W113 WeakPolarHBondContact O-CH2 3.29Å; A87-W113 HydrophobicContact CB-CH2 4.09Å; A87-W113 HydrophobicContact CB-CZ3 4.16Å; W113-S135 CarbonylContact C-O 3.51Å; W113-S135 WeakPolarHBondContact CA-O 3.44Å |
| 114 | V | 93.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 96.6 | -171.8 | -174.6 | 0 | 0 | 0 | 0 | 108.1 | V112 L120 S135 F136 C137 G138 | V112-V114 HydrophobicContact CG1-CG2 4.18Å; V114-L120 HydrophobicContact CG1-CD1 3.99Å; V114-L120 HydrophobicContact CG1-CD2 4.31Å; V114-L120 HydrophobicContact CG1-CG 3.88Å; V114-L120 HydrophobicContact CG2-CD2 3.66Å; V114-L120 HydrophobicContact CG2-CG 4.17Å; V114-S135 PolarHBondContact N-O 3.24Å; V114-F136 HydrophobicContact CB-CD2 4.26Å; V114-F136 HydrophobicContact CG1-CD2 4.27Å; V114-F136 WeakPolarHBondContact O-CD2 3.47Å; V114-C137 PolarHBondContact O-N 3.12Å; V114-G138 PolarHBondContact O-N 3.48Å |
| 115 | S | 89.7 | Confident | 88.2 | Confident | 51 Ų | 51 | 38.2 Ų | 38.2 | 36% | 0.357 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -90.3 | -34.8 | 165.6 | 47.2 | 0 | 0 | 0 | 0 | 111.4 | ||
| 116 | E | 88.5 | Confident | 89.1 | Confident | 107 Ų | 107 | 34.3 Ų | 34.3 | 50% | 0.5 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -126.7 | 141.7 | -175.2 | -69.5 | -72.9 | -175.7 | 0 | 0 | 111.3 | W118 V119 | E116-W118 HydrophobicContact CB-CG 4.39Å; E116-W118 PolarHBondContact O-N 2.77Å; E116-V119 PolarHBondContact O-N 3.25Å |
| 117 | L | 88.9 | Confident | 89.6 | Confident | 54 Ų | 54 | 33.4 Ų | 33.4 | 28% | 0.283 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -27.6 | -175.5 | -85.4 | 175.2 | 0 | 0 | 0 | 113.8 | V119 L120 E121 L142 I196 | L117-V119 PolarHBondContact O-N 2.79Å; L117-V119 VanDerWaalsContact O-N 3.15Å; L117-L120 HydrophobicContact CD2-CD1 4.29Å; L117-L120 WeakPolarHBondContact O-CB 3.5Å; L117-L120 PolarHBondContact O-N 2.8Å; L117-E121 PolarHBondContact O-N 2.86Å; L117-E121 VanDerWaalsContact O-N 3.11Å; L117-L142 HydrophobicContact CD2-CD1 4.36Å; L117-L142 HydrophobicContact CD2-CD2 3.67Å; L117-L142 HydrophobicContact CG-CD2 4.06Å; L117-I196 HydrophobicContact CD2-CD1 3.76Å |
| 118 | W | 89.4 | Confident | 90.1 | Very high | 22 Ų | 22 | 34.8 Ų | 34.8 | 8% | 0.083 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60 | -28.6 | -179.1 | 75.8 | -101.1 | 0 | 0 | 0 | 112.4 | D65 L70 R98 L101 E116 L120 E121 E122 | D65-W118 HydrophobicContact CB-CZ2 3.75Å; D65-W118 VanDerWaalsContact CG-CZ2 3.5Å; D65-W118 PolarHBondContact OD2-NE1 2.83Å; L70-W118 HydrophobicContact CB-CH2 4.2Å; L70-W118 HydrophobicContact CD1-CH2 3.99Å; R98-W118 HydrophobicContact CG-CE3 4.2Å; R98-W118 HydrophobicContact CG-CH2 4.43Å; R98-W118 HydrophobicContact CG-CZ3 4.06Å; R98-W118 VanDerWaalsContact CZ-CB 3.49Å; L101-W118 HydrophobicContact CD1-CH2 4Å; L101-W118 HydrophobicContact CD1-CZ3 3.49Å; L101-W118 VanDerWaalsContact CD1-CZ3 3.49Å; E116-W118 HydrophobicContact CB-CG 4.39Å; E116-W118 PolarHBondContact O-N 2.77Å; W118-L120 VanDerWaalsContact C-N 3.25Å; W118-L120 PolarHBondContact O-N 2.79Å; W118-E121 PolarHBondContact O-N 3.36Å; W118-E122 HydrophobicContact CE3-CB 4.45Å; W118-E122 WeakPolarHBondContact O-CB 3.16Å; W118-E122 PolarHBondContact O-N 2.98Å |
| 119 | V | 91.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -64.2 | -33.7 | 177.1 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | D65 V112 E116 L117 L123 L124 | D65-V119 HydrophobicContact CB-CG2 4.11Å; V112-V119 HydrophobicContact CG1-CG1 3.42Å; V112-V119 VanDerWaalsContact CG1-CG1 3.42Å; E116-V119 PolarHBondContact O-N 3.25Å; L117-V119 PolarHBondContact O-N 2.79Å; L117-V119 VanDerWaalsContact O-N 3.15Å; V119-L123 HydrophobicContact CG1-CD2 3.9Å; V119-L123 VanDerWaalsContact O-CB 3.3Å; V119-L123 WeakPolarHBondContact O-CB 3.41Å; V119-L124 PolarHBondContact O-N 2.8Å |
| 120 | L | 91.9 | Very high | 90.2 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -76.6 | -47.6 | 174 | -60.7 | -178.7 | 0 | 0 | 0 | 110.7 | V114 L117 W118 L124 N125 L134 L142 L147 I196 L199 | V114-L120 HydrophobicContact CG1-CD1 3.99Å; V114-L120 HydrophobicContact CG1-CD2 4.31Å; V114-L120 HydrophobicContact CG1-CG 3.88Å; V114-L120 HydrophobicContact CG2-CD2 3.66Å; V114-L120 HydrophobicContact CG2-CG 4.17Å; L117-L120 HydrophobicContact CD2-CD1 4.29Å; L117-L120 WeakPolarHBondContact O-CB 3.5Å; L117-L120 PolarHBondContact O-N 2.8Å; W118-L120 VanDerWaalsContact C-N 3.25Å; W118-L120 PolarHBondContact O-N 2.79Å; L120-L124 HydrophobicContact CD2-CD1 3.81Å; L120-L124 PolarHBondContact O-N 3.45Å; L120-N125 PolarHBondContact O-N 3.28Å; L120-L134 HydrophobicContact CD2-CD2 4.29Å; L120-L142 HydrophobicContact CD1-CD1 4.27Å; L120-L147 HydrophobicContact CD2-CD2 4.45Å; L120-L147 VanDerWaalsContact O-CD1 3.22Å; L120-L147 WeakPolarHBondContact O-CD1 3.3Å; L120-I196 HydrophobicContact CD1-CB 4Å; L120-I196 HydrophobicContact CD1-CD1 4.13Å; L120-I196 HydrophobicContact CD1-CG2 3.85Å; L120-L199 HydrophobicContact CD1-CD1 3.92Å |
| 121 | E | 88.4 | Confident | 90.2 | Very high | 87 Ų | 87 | 27.2 Ų | 27.2 | 41% | 0.407 | 15% | 0.149 | S | C | . | . | I | π-helix | trans | -74.5 | -37.4 | -169.7 | -66.1 | -179.4 | 167.5 | 0 | 0 | 113.9 | L117 W118 N125 R145 | L117-E121 PolarHBondContact O-N 2.86Å; L117-E121 VanDerWaalsContact O-N 3.11Å; W118-E121 PolarHBondContact O-N 3.36Å; E121-N125 WeakPolarHBondContact O-CB 3.44Å; E121-R145 IonicContact OE1-CZ 3.53Å; E121-R145 IonicContact OE1-NH1 2.64Å; E121-R145 PolarHBondContact OE1-NH1 3.42Å |
| 122 | E | 87.9 | Confident | 90.2 | Very high | 83 Ų | 83 | 26.8 Ų | 26.8 | 39% | 0.388 | 15% | 0.145 | S | C | . | . | I | π-helix | trans | -101.4 | -38.3 | -174.9 | -64.8 | -173.4 | -175.9 | 0 | 0 | 113.5 | R98 R103 W118 | R98-E122 IonicContact CZ-OE1 3.71Å; R98-E122 IonicContact CZ-OE2 3.47Å; R98-E122 IonicContact NE-OE1 3.68Å; R98-E122 IonicContact NE-OE2 3.45Å; R98-E122 PolarHBondContact NE-OE2 3.08Å; R98-E122 IonicContact NH2-OE1 3.85Å; R98-E122 PolarHBondContact NH2-OE1 2.82Å; R98-E122 IonicContact NH2-OE2 2.83Å; R98-E122 PolarHBondContact NH2-OE2 2.9Å; R103-E122 WeakPolarHBondContact CD-O 3.22Å; W118-E122 HydrophobicContact CE3-CB 4.45Å; W118-E122 WeakPolarHBondContact O-CB 3.16Å; W118-E122 PolarHBondContact O-N 2.98Å |
| 123 | L | 89.3 | Confident | 90.2 | Very high | 5 Ų | 5 | 27.8 Ų | 27.8 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -86.5 | -51.1 | -177 | 171.5 | 74.5 | 0 | 0 | 0 | 111.4 | L63 L70 L106 V119 | L63-L123 HydrophobicContact CD1-CD2 4.03Å; L70-L123 HydrophobicContact CD1-CD2 3.93Å; L70-L123 HydrophobicContact CD2-CD1 3.87Å; L70-L123 HydrophobicContact CD2-CD2 3.75Å; L70-L123 HydrophobicContact CD2-CG 4.43Å; L106-L123 HydrophobicContact CD1-CD1 4.16Å; L106-L123 HydrophobicContact CD1-CG 4.35Å; L106-L123 WeakPolarHBondContact CD1-O 3.34Å; L106-L123 HydrophobicContact CD2-CD1 4.16Å; L106-L123 HydrophobicContact CD2-CG 4.4Å; L106-L123 HydrophobicContact CG-CD1 4.35Å; V119-L123 HydrophobicContact CG1-CD2 3.9Å; V119-L123 VanDerWaalsContact O-CB 3.3Å; V119-L123 WeakPolarHBondContact O-CB 3.41Å |
| 124 | L | 91.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -89 | -30.2 | -172.6 | -70.9 | 179.9 | 0 | 0 | 0 | 114.1 | L106 V112 V119 L120 S126 S127 L132 L134 L147 L149 | L106-L124 HydrophobicContact CD1-CD2 4.24Å; V112-L124 HydrophobicContact CB-CD1 4.37Å; V112-L124 HydrophobicContact CG1-CD1 4.31Å; V112-L124 HydrophobicContact CG2-CD1 4.11Å; V112-L124 HydrophobicContact CG2-CD2 4.17Å; V119-L124 PolarHBondContact O-N 2.8Å; L120-L124 HydrophobicContact CD2-CD1 3.81Å; L120-L124 PolarHBondContact O-N 3.45Å; L124-S126 PolarHBondContact O-N 3.03Å; L124-S127 WeakPolarHBondContact CA-OG 3.43Å; L124-S127 WeakPolarHBondContact O-CB 3.15Å; L124-S127 PolarHBondContact O-N 2.73Å; L124-S127 PolarHBondContact O-OG 3.41Å; L124-L132 HydrophobicContact CD1-CD1 4.41Å; L124-L132 HydrophobicContact CD1-CD2 4.36Å; L124-L132 HydrophobicContact CD2-CD1 4.22Å; L124-L134 HydrophobicContact CD1-CD2 3.56Å; L124-L147 HydrophobicContact CB-CD1 3.98Å; L124-L147 HydrophobicContact CB-CD2 4.23Å; L124-L147 HydrophobicContact CD1-CD2 4.43Å; L124-L149 HydrophobicContact CB-CD2 4.28Å; L124-L149 WeakPolarHBondContact O-CD2 3.34Å |
| 125 | N | 90.3 | Very high | 90.3 | Very high | 44 Ų | 44 | 27.5 Ų | 27.5 | 24% | 0.235 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 127.3 | -174.5 | -164.8 | 19 | 0 | 0 | 0 | 111.8 | L120 E121 S127 L147 V148 | L120-N125 PolarHBondContact O-N 3.28Å; E121-N125 WeakPolarHBondContact O-CB 3.44Å; N125-S127 PolarHBondContact O-N 2.85Å; N125-L147 HydrophobicContact CB-CD1 3.81Å; N125-V148 WeakPolarHBondContact OD1-CB 3.49Å; N125-V148 PolarHBondContact OD1-N 2.83Å; N125-V148 VanDerWaalsContact OD1-N 3.1Å |
| 126 | S | 86.2 | Confident | 90.4 | Very high | 7 Ų | 7 | 25.3 Ų | 25.3 | 5% | 0.049 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 18.8 | -173.2 | -49.5 | 0 | 0 | 0 | 0 | 114.7 | L124 V148 V226 | L124-S126 PolarHBondContact O-N 3.03Å; S126-V148 PolarHBondContact N-O 3.3Å; S126-V226 VanDerWaalsContact CB-O 3.29Å; S126-V226 WeakPolarHBondContact CB-O 3.46Å |
| 127 | S | 87.2 | Confident | 90.5 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.014 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 158.6 | 173.3 | 71.2 | 0 | 0 | 0 | 0 | 112.4 | L124 N125 L150 | L124-S127 WeakPolarHBondContact CA-OG 3.43Å; L124-S127 WeakPolarHBondContact O-CB 3.15Å; L124-S127 PolarHBondContact O-N 2.73Å; L124-S127 PolarHBondContact O-OG 3.41Å; N125-S127 PolarHBondContact O-N 2.85Å; S127-L150 PolarHBondContact O-N 3.31Å |
| 128 | A | 86.9 | Confident | 90.3 | Very high | 57 Ų | 57 | 20.3 Ų | 20.3 | 47% | 0.471 | 12% | 0.116 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 116.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L150 | A128-L150 WeakPolarHBondContact CA-O 3.3Å; A128-L150 HydrophobicContact CB-CB 4.34Å |
| 129 | V | 87.8 | Confident | 89.8 | Confident | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | trans | -148.3 | 131.9 | 178.2 | 60.8 | 0 | 0 | 0 | 0 | 109.3 | V110 L132 L149 L150 G151 L152 | V110-V129 HydrophobicContact CB-CG2 4.12Å; V110-V129 HydrophobicContact CG2-CG2 3.94Å; V129-L132 HydrophobicContact CG1-CB 4.17Å; V129-L132 HydrophobicContact CG1-CD2 4.26Å; V129-L132 HydrophobicContact CG2-CB 4.19Å; V129-L132 HydrophobicContact CG2-CD1 4.43Å; V129-L149 HydrophobicContact CG1-CD2 3.99Å; V129-L150 PolarHBondContact N-O 3.3Å; V129-G151 CarbonylContact O-C 3.51Å; V129-L152 HydrophobicContact CG1-CD1 4.35Å; V129-L152 WeakPolarHBondContact O-CA 3.48Å; V129-L152 PolarHBondContact O-N 3.36Å | ||
| 130 | A | 89.1 | Confident | 89.6 | Confident | 11 Ų | 11 | 33.5 Ų | 33.5 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -89.6 | -39.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R108 G151 R153 T154 | R108-A130 HydrophobicContact CG-CB 3.65Å; R108-A130 PolarHBondContact O-N 3.26Å; R108-A130 VanDerWaalsContact O-N 3.1Å; A130-G151 WeakPolarHBondContact CA-O 3.02Å; A130-R153 HydrophobicContact CB-CG 4.36Å; A130-R153 WeakPolarHBondContact O-CA 3.39Å; A130-R153 WeakPolarHBondContact O-CB 3.44Å; A130-R153 PolarHBondContact O-N 2.78Å; A130-T154 PolarHBondContact O-N 2.88Å; A130-T154 VanDerWaalsContact O-N 3.12Å |
| 131 | H | 91.8 | Very high | 89.4 | Confident | 16 Ų | 16 | 38.3 Ų | 38.3 | 7% | 0.074 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 113.4 | -179.9 | -53.4 | -78.7 | 0 | 0 | 0 | 108.2 | E56 R108 T109 V110 T154 | E56-H131 IonicContact OE1-CD2 3.37Å; E56-H131 IonicContact OE1-CE1 3.27Å; E56-H131 IonicContact OE1-CG 3.42Å; E56-H131 IonicContact OE1-ND1 2.72Å; E56-H131 IonicContact OE1-NE2 2.73Å; R108-H131 PolarHBondContact O-N 2.88Å; T109-H131 WeakPolarHBondContact CA-O 3.5Å; T109-H131 HydrophobicContact CG2-CB 4.01Å; V110-H131 PolarHBondContact N-O 3.28Å; H131-T154 PolarHBondContact ND1-OG1 2.86Å |
| 132 | L | 94.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 126.2 | -175.5 | -177.8 | 63.2 | 0 | 0 | 0 | 109.8 | V110 V112 L124 V129 L134 L149 L152 T154 L155 S156 | V110-L132 HydrophobicContact CB-CD1 4.35Å; V110-L132 WeakPolarHBondContact O-CA 3.44Å; V112-L132 HydrophobicContact CG2-CD1 3.95Å; L124-L132 HydrophobicContact CD1-CD1 4.41Å; L124-L132 HydrophobicContact CD1-CD2 4.36Å; L124-L132 HydrophobicContact CD2-CD1 4.22Å; V129-L132 HydrophobicContact CG1-CB 4.17Å; V129-L132 HydrophobicContact CG1-CD2 4.26Å; V129-L132 HydrophobicContact CG2-CB 4.19Å; V129-L132 HydrophobicContact CG2-CD1 4.43Å; L132-L134 HydrophobicContact CD1-CD2 3.89Å; L132-L134 HydrophobicContact CD1-CG 4.47Å; L132-L134 HydrophobicContact CD2-CD1 4.14Å; L132-L134 HydrophobicContact CD2-CD2 3.87Å; L132-L134 HydrophobicContact CD2-CG 3.92Å; L132-L134 HydrophobicContact CG-CD2 3.88Å; L132-L134 HydrophobicContact CG-CG 3.94Å; L132-L149 HydrophobicContact CD2-CD1 3.45Å; L132-L149 VanDerWaalsContact CD2-CD1 3.45Å; L132-L149 HydrophobicContact CD2-CD2 4.29Å; L132-L152 HydrophobicContact CB-CD1 3.72Å; L132-T154 PolarHBondContact N-O 2.73Å; L132-L155 HydrophobicContact CB-CD1 4.19Å; L132-L155 HydrophobicContact CD2-CD1 4.01Å; L132-L155 HydrophobicContact CG-CD1 4.15Å; L132-L155 WeakPolarHBondContact O-CA 3.22Å; L132-S156 PolarHBondContact O-N 2.91Å |
| 133 | R | 94.8 | Very high | 89.5 | Confident | 22 Ų | 22 | 37.9 Ų | 37.9 | 8% | 0.083 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 123.2 | 163.9 | -177.7 | 177.3 | -177.4 | 139.8 | 1.2 | 108.8 | L52 D81 V110 A111 V112 S156 | L52-R133 HydrophobicContact CD1-CB 3.98Å; L52-R133 HydrophobicContact CD1-CG 4.27Å; D81-R133 IonicContact OD1-NE 2.69Å; D81-R133 IonicContact OD2-CZ 3.94Å; D81-R133 IonicContact OD2-NE 3.16Å; D81-R133 PolarHBondContact OD2-NE 2.92Å; D81-R133 IonicContact OD2-NH2 3.67Å; D81-R133 PolarHBondContact OD2-NH2 3.46Å; V110-R133 PolarHBondContact O-N 2.91Å; A111-R133 CarbonylContact C-O 3.45Å; A111-R133 WeakPolarHBondContact CA-O 3.46Å; A111-R133 HydrophobicContact CB-CB 4.16Å; V112-R133 PolarHBondContact N-O 3.01Å; R133-S156 CarbonylContact C-O 3.58Å; R133-S156 VanDerWaalsContact CA-O 3.27Å; R133-S156 WeakPolarHBondContact CA-O 3.34Å |
| 134 | L | 95.4 | Very high | 89.4 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 124.1 | 173.3 | -63.6 | -179.9 | 0 | 0 | 0 | 109.3 | V112 L120 L124 L132 L155 S156 V157 H158 L199 | V112-L134 HydrophobicContact CB-CD2 3.9Å; V112-L134 HydrophobicContact CG2-CD2 4.43Å; V112-L134 WeakPolarHBondContact O-CA 3.3Å; L120-L134 HydrophobicContact CD2-CD2 4.29Å; L124-L134 HydrophobicContact CD1-CD2 3.56Å; L132-L134 HydrophobicContact CD1-CD2 3.89Å; L132-L134 HydrophobicContact CD1-CG 4.47Å; L132-L134 HydrophobicContact CD2-CD1 4.14Å; L132-L134 HydrophobicContact CD2-CD2 3.87Å; L132-L134 HydrophobicContact CD2-CG 3.92Å; L132-L134 HydrophobicContact CG-CD2 3.88Å; L132-L134 HydrophobicContact CG-CG 3.94Å; L134-L155 HydrophobicContact CD1-CD1 4.15Å; L134-L155 HydrophobicContact CG-CD1 4.25Å; L134-S156 PolarHBondContact N-O 2.79Å; L134-V157 HydrophobicContact CB-CG1 4.48Å; L134-V157 CarbonylContact O-C 3.57Å; L134-V157 VanDerWaalsContact O-CA 3.3Å; L134-V157 WeakPolarHBondContact O-CA 3.46Å; L134-H158 PolarHBondContact O-N 3.11Å; L134-L199 HydrophobicContact CB-CD2 3.55Å; L134-L199 HydrophobicContact CD1-CD1 4.46Å; L134-L199 HydrophobicContact CD1-CD2 4.21Å |
| 135 | S | 95.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 119.3 | 175.2 | -47.2 | 0 | 0 | 0 | 0 | 109.1 | D81 V112 W113 V114 H158 | D81-S135 WeakPolarHBondContact OD1-CB 3.41Å; D81-S135 PolarHBondContact OD1-OG 3.11Å; D81-S135 PolarHBondContact OD2-OG 3.17Å; V112-S135 PolarHBondContact O-N 3.46Å; W113-S135 CarbonylContact C-O 3.51Å; W113-S135 WeakPolarHBondContact CA-O 3.44Å; V114-S135 PolarHBondContact N-O 3.24Å; S135-H158 CarbonylContact C-O 3.54Å; S135-H158 VanDerWaalsContact CA-O 3.32Å; S135-H158 WeakPolarHBondContact CA-O 3.1Å |
| 136 | F | 93.6 | Very high | 89.3 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 2% | 0.022 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 118.8 | 179.5 | -175.9 | -118.9 | 0 | 0 | 0 | 111.1 | V114 G138 E140 L142 H158 A160 L199 | V114-F136 HydrophobicContact CB-CD2 4.26Å; V114-F136 HydrophobicContact CG1-CD2 4.27Å; V114-F136 WeakPolarHBondContact O-CD2 3.47Å; F136-G138 WeakPolarHBondContact CE1-O 3.4Å; F136-G138 VanDerWaalsContact CZ-CA 3.45Å; F136-E140 WeakPolarHBondContact CE1-O 3.23Å; F136-E140 WeakPolarHBondContact CZ-O 3.35Å; F136-L142 HydrophobicContact CD2-CD1 3.79Å; F136-L142 HydrophobicContact CD2-CD2 4.39Å; F136-L142 HydrophobicContact CD2-CG 4.05Å; F136-L142 HydrophobicContact CE1-CG 4.4Å; F136-L142 HydrophobicContact CE2-CD1 3.78Å; F136-L142 HydrophobicContact CE2-CD2 3.53Å; F136-L142 HydrophobicContact CE2-CG 3.58Å; F136-L142 HydrophobicContact CG-CD1 4.48Å; F136-L142 HydrophobicContact CZ-CD1 4.42Å; F136-L142 HydrophobicContact CZ-CD2 3.78Å; F136-L142 HydrophobicContact CZ-CG 3.78Å; F136-H158 PolarHBondContact N-O 2.99Å; F136-A160 VanDerWaalsContact O-CB 3.3Å; F136-A160 WeakPolarHBondContact O-CB 3.27Å; F136-A160 PolarHBondContact O-N 3.17Å; F136-L199 HydrophobicContact CB-CB 3.95Å; F136-L199 HydrophobicContact CG-CB 4.32Å |
| 137 | C | 90.4 | Very high | 89.6 | Confident | 38 Ų | 38 | 49.6 Ų | 49.6 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | trans | -114.1 | 4.6 | -174.8 | -54 | 0 | 0 | 0 | 0 | 112.7 | C82 V114 | C82-C137 WeakPolarHBondContact CA-SG 3.26Å; C82-C137 HydrophobicContact CB-CB 3.65Å; C82-C137 WeakPolarHBondContact CB-SG 3.39Å; C82-C137 WeakPolarHBondContact SG-CA 3.47Å; C82-C137 WeakPolarHBondContact SG-CB 3.29Å; C82-C137 CovalentContact SG-SG 2.03Å; C82-C137 PolarHBondContact SG-SG 2.78Å; V114-C137 PolarHBondContact O-N 3.12Å | ||
| 138 | G | 83.5 | Confident | 89.8 | Confident | 19 Ų | 19 | 49.7 Ų | 49.7 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | trans | -78.7 | 164.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V114 F136 | V114-G138 PolarHBondContact O-N 3.48Å; F136-G138 WeakPolarHBondContact CE1-O 3.4Å; F136-G138 VanDerWaalsContact CZ-CA 3.45Å | ||
| 139 | V | 80.5 | Confident | 90 | Very high | 147 Ų | 147 | 47 Ų | 47 | 89% | 0.891 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -95.8 | -26.6 | 179.1 | -65.4 | 0 | 0 | 0 | 0 | 113 | ||
| 140 | E | 86.5 | Confident | 90 | Very high | 152 Ų | 152 | 47.7 Ų | 47.7 | 71% | 0.71 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -95.6 | 140.1 | 179.9 | -67.8 | -172.4 | 171.7 | 0 | 0 | 110.9 | F136 L142 | F136-E140 WeakPolarHBondContact CE1-O 3.23Å; F136-E140 WeakPolarHBondContact CZ-O 3.35Å; E140-L142 PolarHBondContact O-N 2.85Å |
| 141 | P | 86.4 | Confident | 89.9 | Confident | 102 Ų | 102 | 48.8 Ų | 48.8 | 66% | 0.662 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 137.7 | 177.5 | 27.4 | -33.8 | 0 | 0 | 0 | 110.9 | N200 | P141-N200 VanDerWaalsContact CA-OD1 3.26Å; P141-N200 WeakPolarHBondContact CA-OD1 3.3Å |
| 142 | L | 88.9 | Confident | 89.9 | Confident | 20 Ų | 20 | 48 Ų | 48 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 134.6 | 175.2 | -61.5 | -173.6 | 0 | 0 | 0 | 110.5 | L117 L120 F136 E140 L199 N200 | L117-L142 HydrophobicContact CD2-CD1 4.36Å; L117-L142 HydrophobicContact CD2-CD2 3.67Å; L117-L142 HydrophobicContact CG-CD2 4.06Å; L120-L142 HydrophobicContact CD1-CD1 4.27Å; F136-L142 HydrophobicContact CD2-CD1 3.79Å; F136-L142 HydrophobicContact CD2-CD2 4.39Å; F136-L142 HydrophobicContact CD2-CG 4.05Å; F136-L142 HydrophobicContact CE1-CG 4.4Å; F136-L142 HydrophobicContact CE2-CD1 3.78Å; F136-L142 HydrophobicContact CE2-CD2 3.53Å; F136-L142 HydrophobicContact CE2-CG 3.58Å; F136-L142 HydrophobicContact CG-CD1 4.48Å; F136-L142 HydrophobicContact CZ-CD1 4.42Å; F136-L142 HydrophobicContact CZ-CD2 3.78Å; F136-L142 HydrophobicContact CZ-CG 3.78Å; E140-L142 PolarHBondContact O-N 2.85Å; L142-L199 HydrophobicContact CD1-CB 4.01Å; L142-L199 HydrophobicContact CD1-CD1 3.73Å; L142-L199 HydrophobicContact CD1-CG 4.48Å; L142-N200 PolarHBondContact N-OD1 2.85Å; L142-N200 PolarHBondContact O-ND2 3.21Å |
| 143 | Q | 89.4 | Confident | 89.7 | Confident | 141 Ų | 141 | 54.3 Ų | 54.3 | 66% | 0.659 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 143.4 | 167.5 | -66.6 | -174.6 | -17.5 | 0 | 0 | 109.9 | R145 I196 | Q143-R145 PolarHBondContact O-N 2.81Å; Q143-I196 WeakPolarHBondContact O-CG1 3.38Å |
| 144 | S | 88.4 | Confident | 89.6 | Confident | 85 Ų | 85 | 53.9 Ų | 53.9 | 59% | 0.594 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 123.1 | 175 | 171.2 | 0 | 0 | 0 | 0 | 110.1 | D195 | S144-D195 VanDerWaalsContact CA-OD1 3.3Å; S144-D195 WeakPolarHBondContact CA-OD1 3.43Å; S144-D195 WeakPolarHBondContact CB-OD1 3.34Å; S144-D195 PolarHBondContact OG-OD1 3.18Å; S144-D195 PolarHBondContact OG-OD2 2.86Å |
| 145 | R | 89.5 | Confident | 89.6 | Confident | 112 Ų | 112 | 53.8 Ų | 53.8 | 42% | 0.423 | 29% | 0.289 | S | S | . | . | trans | -150.9 | 152.7 | 177.5 | -61.2 | -176.1 | 178.2 | -174.9 | 0.3 | 108.6 | E121 Q143 D195 I196 | E121-R145 IonicContact OE1-CZ 3.53Å; E121-R145 IonicContact OE1-NH1 2.64Å; E121-R145 PolarHBondContact OE1-NH1 3.42Å; Q143-R145 PolarHBondContact O-N 2.81Å; R145-D195 PolarHBondContact N-OD1 2.99Å; R145-D195 WeakPolarHBondContact O-CA 3.47Å; R145-I196 HydrophobicContact CB-CD1 3.72Å; R145-I196 HydrophobicContact CB-CG1 3.9Å; R145-I196 HydrophobicContact CG-CD1 4.2Å; R145-I196 WeakPolarHBondContact O-CG1 3.37Å; R145-I196 PolarHBondContact O-N 2.85Å | ||
| 146 | Q | 90.1 | Very high | 89.6 | Confident | 102 Ų | 102 | 54.2 Ų | 54.2 | 48% | 0.477 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 122.4 | -177 | -158 | 81.1 | 75 | 0 | 0 | 111.2 | F193 V194 | Q146-F193 HydrophobicContact CG-CB 4.02Å; Q146-F193 HydrophobicContact CG-CD1 3.68Å; Q146-F193 HydrophobicContact CG-CG 4.34Å; Q146-F193 PolarHBondContact NE2-O 2.76Å; Q146-V194 PolarHBondContact NE2-O 3.07Å |
| 147 | L | 92.4 | Very high | 89.7 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 132.8 | 166.6 | 178 | 69.2 | 0 | 0 | 0 | 109.3 | L120 L124 N125 L149 V194 I196 | L120-L147 HydrophobicContact CD2-CD2 4.45Å; L120-L147 VanDerWaalsContact O-CD1 3.22Å; L120-L147 WeakPolarHBondContact O-CD1 3.3Å; L124-L147 HydrophobicContact CB-CD1 3.98Å; L124-L147 HydrophobicContact CB-CD2 4.23Å; L124-L147 HydrophobicContact CD1-CD2 4.43Å; N125-L147 HydrophobicContact CB-CD1 3.81Å; L147-L149 HydrophobicContact CD2-CD1 4.12Å; L147-L149 HydrophobicContact CD2-CD2 4.2Å; L147-L149 HydrophobicContact CD2-CG 4.17Å; L147-L149 HydrophobicContact CG-CD2 4.34Å; L147-L149 HydrophobicContact CG-CG 4.2Å; L147-V194 HydrophobicContact CB-CB 4.38Å; L147-V194 PolarHBondContact N-O 2.94Å; L147-V194 PolarHBondContact O-N 3.16Å; L147-I196 HydrophobicContact CB-CG2 3.73Å |
| 148 | V | 91.4 | Very high | 89.8 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.024 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 131.2 | 175.8 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | N125 S126 M191 S192 F193 L225 | N125-V148 WeakPolarHBondContact OD1-CB 3.49Å; N125-V148 PolarHBondContact OD1-N 2.83Å; N125-V148 VanDerWaalsContact OD1-N 3.1Å; S126-V148 PolarHBondContact N-O 3.3Å; V148-M191 HydrophobicContact CG1-CE 3.43Å; V148-M191 VanDerWaalsContact CG1-CE 3.43Å; V148-M191 HydrophobicContact CG1-CG 4.25Å; V148-M191 HydrophobicContact CG2-CE 4.36Å; V148-S192 CarbonylContact C-O 3.53Å; V148-S192 WeakPolarHBondContact CA-O 3.34Å; V148-F193 HydrophobicContact CG2-CD1 3.7Å; V148-F193 HydrophobicContact CG2-CE1 3.72Å; V148-L225 HydrophobicContact CB-CD2 4.04Å; V148-L225 HydrophobicContact CG1-CD1 4.32Å; V148-L225 HydrophobicContact CG1-CD2 4.41Å; V148-L225 HydrophobicContact CG2-CD1 3.96Å; V148-L225 HydrophobicContact CG2-CD2 3.57Å; V148-L225 HydrophobicContact CG2-CG 4.45Å |
| 149 | L | 91.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 145.7 | 177.9 | -63.4 | 170.5 | 0 | 0 | 0 | 110.3 | L124 V129 L132 L147 L152 S192 V194 | L124-L149 HydrophobicContact CB-CD2 4.28Å; L124-L149 WeakPolarHBondContact O-CD2 3.34Å; V129-L149 HydrophobicContact CG1-CD2 3.99Å; L132-L149 HydrophobicContact CD2-CD1 3.45Å; L132-L149 VanDerWaalsContact CD2-CD1 3.45Å; L132-L149 HydrophobicContact CD2-CD2 4.29Å; L147-L149 HydrophobicContact CD2-CD1 4.12Å; L147-L149 HydrophobicContact CD2-CD2 4.2Å; L147-L149 HydrophobicContact CD2-CG 4.17Å; L147-L149 HydrophobicContact CG-CD2 4.34Å; L147-L149 HydrophobicContact CG-CG 4.2Å; L149-L152 HydrophobicContact CB-CB 4.34Å; L149-L152 HydrophobicContact CB-CD2 4.45Å; L149-L152 HydrophobicContact CD1-CD1 4.28Å; L149-L152 HydrophobicContact CD1-CD2 3.83Å; L149-S192 PolarHBondContact N-O 2.82Å; L149-S192 PolarHBondContact O-N 2.8Å; L149-V194 HydrophobicContact CD1-CG2 3.96Å |
| 150 | L | 87.7 | Confident | 90.4 | Very high | 18 Ų | 18 | 48.6 Ų | 48.6 | 9% | 0.094 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137.4 | 178.4 | -56.4 | 173.2 | 0 | 0 | 0 | 110.2 | S127 A128 V129 L152 H190 M191 L215 F227 P228 | S127-L150 PolarHBondContact O-N 3.31Å; A128-L150 WeakPolarHBondContact CA-O 3.3Å; A128-L150 HydrophobicContact CB-CB 4.34Å; V129-L150 PolarHBondContact N-O 3.3Å; L150-L152 VanDerWaalsContact C-N 3.26Å; L150-L152 PolarHBondContact O-N 3.4Å; L150-H190 WeakPolarHBondContact CA-O 3.22Å; L150-M191 HydrophobicContact CD2-CB 4.4Å; L150-M191 HydrophobicContact CD2-CG 4.22Å; L150-L215 HydrophobicContact CD2-CD1 4.37Å; L150-F227 HydrophobicContact CD1-CD1 4.14Å; L150-F227 HydrophobicContact CD2-CD1 3.99Å; L150-F227 HydrophobicContact CD2-CE1 4.06Å; L150-P228 HydrophobicContact CD1-CG 4.17Å |
| 151 | G | 86.9 | Confident | 90.1 | Very high | 33 Ų | 33 | 42.6 Ų | 42.6 | 34% | 0.34 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 72.8 | 10.9 | 175 | 0 | 0 | 0 | 0 | 0 | 115.7 | V129 A130 R153 H190 | V129-G151 CarbonylContact O-C 3.51Å; A130-G151 WeakPolarHBondContact CA-O 3.02Å; G151-R153 PolarHBondContact O-N 2.98Å; G151-H190 PolarHBondContact N-O 3.1Å |
| 152 | L | 91.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -65.9 | 116.8 | -174.6 | -175 | 72.1 | 0 | 0 | 0 | 112.4 | V129 L132 L149 L150 T154 L155 V173 H190 V194 | V129-L152 HydrophobicContact CG1-CD1 4.35Å; V129-L152 WeakPolarHBondContact O-CA 3.48Å; V129-L152 PolarHBondContact O-N 3.36Å; L132-L152 HydrophobicContact CB-CD1 3.72Å; L149-L152 HydrophobicContact CB-CB 4.34Å; L149-L152 HydrophobicContact CB-CD2 4.45Å; L149-L152 HydrophobicContact CD1-CD1 4.28Å; L149-L152 HydrophobicContact CD1-CD2 3.83Å; L150-L152 VanDerWaalsContact C-N 3.26Å; L150-L152 PolarHBondContact O-N 3.4Å; L152-T154 WeakPolarHBondContact CD1-O 3.48Å; L152-L155 HydrophobicContact CD2-CB 4.19Å; L152-V173 HydrophobicContact CD2-CG2 4.16Å; L152-V173 HydrophobicContact CG-CG2 4.17Å; L152-V173 WeakPolarHBondContact O-CB 3.35Å; L152-H190 PolarHBondContact O-CE1 2.87Å; L152-H190 PolarHBondContact O-ND1 2.87Å; L152-V194 HydrophobicContact CD2-CG2 4.24Å | ||
| 153 | R | 90.6 | Very high | 89.6 | Confident | 135 Ų | 135 | 46.8 Ų | 46.8 | 51% | 0.509 | 28% | 0.276 | S | S | . | . | trans | -100.7 | -39 | 178.2 | -57.8 | -177.8 | 178.6 | -162.3 | -4.8 | 112.5 | A130 G151 R172 V173 | A130-R153 HydrophobicContact CB-CG 4.36Å; A130-R153 WeakPolarHBondContact O-CA 3.39Å; A130-R153 WeakPolarHBondContact O-CB 3.44Å; A130-R153 PolarHBondContact O-N 2.78Å; G151-R153 PolarHBondContact O-N 2.98Å; R153-R172 WeakPolarHBondContact O-CA 3.39Å; R153-V173 PolarHBondContact O-N 2.75Å | ||
| 154 | T | 92.8 | Very high | 89.4 | Confident | 13 Ų | 13 | 40.9 Ų | 40.9 | 8% | 0.08 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 131.8 | 179.6 | -49 | 0 | 0 | 0 | 0 | 109.6 | A130 H131 L132 L152 E170 | A130-T154 PolarHBondContact O-N 2.88Å; A130-T154 VanDerWaalsContact O-N 3.12Å; H131-T154 PolarHBondContact ND1-OG1 2.86Å; L132-T154 PolarHBondContact N-O 2.73Å; L152-T154 WeakPolarHBondContact CD1-O 3.48Å; T154-E170 HydrophobicContact CG2-CG 3.74Å |
| 155 | L | 95.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 119.7 | 168.4 | 179.9 | 67.8 | 0 | 0 | 0 | 109.1 | L132 L134 L152 V157 E170 I171 V194 I198 V247 | L132-L155 HydrophobicContact CB-CD1 4.19Å; L132-L155 HydrophobicContact CD2-CD1 4.01Å; L132-L155 HydrophobicContact CG-CD1 4.15Å; L132-L155 WeakPolarHBondContact O-CA 3.22Å; L134-L155 HydrophobicContact CD1-CD1 4.15Å; L134-L155 HydrophobicContact CG-CD1 4.25Å; L152-L155 HydrophobicContact CD2-CB 4.19Å; L155-V157 HydrophobicContact CD1-CG1 4.36Å; L155-V157 HydrophobicContact CD2-CG1 4.23Å; L155-V157 HydrophobicContact CG-CG1 4.07Å; L155-E170 CarbonylContact O-C 3.57Å; L155-E170 WeakPolarHBondContact O-CA 3.32Å; L155-I171 HydrophobicContact CB-CG2 4.13Å; L155-I171 PolarHBondContact N-O 3.31Å; L155-I171 PolarHBondContact O-N 2.97Å; L155-V194 HydrophobicContact CD2-CG1 3.83Å; L155-V194 HydrophobicContact CD2-CG2 4.3Å; L155-I198 HydrophobicContact CD2-CD1 3.92Å; L155-V247 HydrophobicContact CD2-CG1 3.87Å |
| 156 | S | 95 | Very high | 89.7 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 6% | 0.063 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 135.7 | 169.3 | -39.1 | 0 | 0 | 0 | 0 | 108.2 | L132 R133 L134 Q169 E170 | L132-S156 PolarHBondContact O-N 2.91Å; R133-S156 CarbonylContact C-O 3.58Å; R133-S156 VanDerWaalsContact CA-O 3.27Å; R133-S156 WeakPolarHBondContact CA-O 3.34Å; L134-S156 PolarHBondContact N-O 2.79Å; S156-Q169 CarbonylContact C-O 3.51Å; S156-Q169 WeakPolarHBondContact CA-O 3.37Å; S156-E170 PolarHBondContact OG-OE2 3.23Å |
| 157 | V | 95 | Very high | 89.7 | Confident | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.036 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 135.2 | 177.9 | -62.2 | 0 | 0 | 0 | 0 | 110.2 | L134 L155 N168 Q169 I198 L199 L205 | L134-V157 HydrophobicContact CB-CG1 4.48Å; L134-V157 CarbonylContact O-C 3.57Å; L134-V157 VanDerWaalsContact O-CA 3.3Å; L134-V157 WeakPolarHBondContact O-CA 3.46Å; L155-V157 HydrophobicContact CD1-CG1 4.36Å; L155-V157 HydrophobicContact CD2-CG1 4.23Å; L155-V157 HydrophobicContact CG-CG1 4.07Å; V157-N168 WeakPolarHBondContact O-CA 3.01Å; V157-Q169 HydrophobicContact CG2-CB 3.72Å; V157-Q169 HydrophobicContact CG2-CG 4.3Å; V157-Q169 PolarHBondContact N-O 3.12Å; V157-Q169 PolarHBondContact O-N 3.43Å; V157-I198 HydrophobicContact CG1-CD1 3.85Å; V157-I198 HydrophobicContact CG1-CG1 4.17Å; V157-L199 HydrophobicContact CB-CD2 4.24Å; V157-L199 HydrophobicContact CG1-CD2 4.08Å; V157-L205 HydrophobicContact CG2-CD2 4.19Å |
| 158 | H | 94.3 | Very high | 89.7 | Confident | 28 Ų | 28 | 39.9 Ų | 39.9 | 13% | 0.13 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128.1 | 171.2 | -180 | 69.2 | 0 | 0 | 0 | 109.5 | D81 L134 S135 F136 P167 N168 | D81-H158 IonicContact OD2-CD2 3.53Å; D81-H158 IonicContact OD2-CG 3.45Å; L134-H158 PolarHBondContact O-N 3.11Å; S135-H158 CarbonylContact C-O 3.54Å; S135-H158 VanDerWaalsContact CA-O 3.32Å; S135-H158 WeakPolarHBondContact CA-O 3.1Å; F136-H158 PolarHBondContact N-O 2.99Å; H158-P167 CarbonylContact C-O 3.52Å; H158-P167 WeakPolarHBondContact CA-O 3.39Å; H158-P167 PolarHBondContact ND1-O 3.44Å; H158-N168 PolarHBondContact ND1-OD1 2.86Å |
| 159 | S | 90.4 | Very high | 89.9 | Confident | 6 Ų | 6 | 41 Ų | 41 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 119.8 | 171.4 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | A161 P167 L199 N200 | S159-A161 VanDerWaalsContact C-N 3.26Å; S159-A161 WeakPolarHBondContact OG-CB 3.27Å; S159-A161 PolarHBondContact OG-N 2.8Å; S159-P167 PolarHBondContact N-O 2.85Å; S159-L199 WeakPolarHBondContact CB-O 3.03Å; S159-L199 PolarHBondContact OG-O 3.47Å; S159-L199 VanDerWaalsContact OG-O 3.12Å; S159-N200 PolarHBondContact OG-O 2.75Å |
| 160 | A | 85.1 | Confident | 90 | Very high | 50 Ų | 50 | 44.8 Ų | 44.8 | 41% | 0.413 | 27% | 0.273 | S | S | . | . | trans | -86.6 | 3.4 | 169 | 0 | 0 | 0 | 0 | 0 | 112.4 | F136 | F136-A160 VanDerWaalsContact O-CB 3.3Å; F136-A160 WeakPolarHBondContact O-CB 3.27Å; F136-A160 PolarHBondContact O-N 3.17Å | ||
| 161 | A | 81.2 | Confident | 90.3 | Very high | 27 Ų | 27 | 45.6 Ų | 45.6 | 22% | 0.223 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -65.3 | 130 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111 | S159 G163 A164 | S159-A161 VanDerWaalsContact C-N 3.26Å; S159-A161 WeakPolarHBondContact OG-CB 3.27Å; S159-A161 PolarHBondContact OG-N 2.8Å; A161-G163 PolarHBondContact O-N 2.78Å; A161-A164 WeakPolarHBondContact O-CB 3.4Å; A161-A164 PolarHBondContact O-N 2.84Å |
| 162 | P | 80.8 | Confident | 90.5 | Very high | 133 Ų | 133 | 52.7 Ų | 52.7 | 86% | 0.864 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 128.8 | 178.4 | -25.4 | 34.1 | 0 | 0 | 0 | 112 | ||
| 163 | G | 82.4 | Confident | 90 | Very high | 77 Ų | 77 | 53 Ų | 53 | 79% | 0.794 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 10.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A161 P165 | A161-G163 PolarHBondContact O-N 2.78Å; G163-P165 WeakPolarHBondContact O-CD 3.39Å |
| 164 | A | 86.6 | Confident | 89.1 | Confident | 17 Ų | 17 | 49.2 Ų | 49.2 | 14% | 0.14 | 29% | 0.29 | C | S | . | . | trans | -61 | 115.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | A161 Y166 | A161-A164 WeakPolarHBondContact O-CB 3.4Å; A161-A164 PolarHBondContact O-N 2.84Å; A164-Y166 PolarHBondContact O-N 2.86Å | ||
| 165 | P | 91 | Very high | 87.4 | Confident | 77 Ų | 77 | 53.2 Ų | 53.2 | 50% | 0.5 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -66.5 | -24.5 | 179 | 24.3 | -34 | 0 | 0 | 0 | 113.1 | G163 P167 G201 | G163-P165 WeakPolarHBondContact O-CD 3.39Å; P165-P167 WeakPolarHBondContact O-CD 3.42Å; P165-G201 WeakPolarHBondContact CD-O 3.49Å; P165-G201 WeakPolarHBondContact CG-O 3.3Å |
| 166 | Y | 91.9 | Very high | 84.9 | Confident | 109 Ų | 109 | 58.2 Ų | 58.2 | 43% | 0.427 | 35% | 0.35 | S | S | . | . | trans | -126.6 | 74.2 | -179.5 | -54.2 | -78.8 | 0 | 0 | 0 | 111 | A164 N168 Q169 G201 S203 A204 | A164-Y166 PolarHBondContact O-N 2.86Å; Y166-N168 PolarHBondContact O-N 2.96Å; Y166-Q169 VanDerWaalsContact CB-NE2 3.26Å; Y166-Q169 PolarHBondContact O-NE2 2.81Å; Y166-G201 PolarHBondContact N-O 3.28Å; Y166-G201 VanDerWaalsContact N-O 3.11Å; Y166-S203 VanDerWaalsContact CD2-C 3.44Å; Y166-A204 HydrophobicContact CD1-CB 4.45Å; Y166-A204 HydrophobicContact CE1-CB 4.22Å; Y166-A204 HydrophobicContact CE2-CB 4.33Å | ||
| 167 | P | 89.9 | Confident | 82.4 | Confident | 52 Ų | 52 | 62.6 Ų | 62.6 | 34% | 0.338 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -76.2 | -22.8 | -172 | 30.4 | -35.9 | 0 | 0 | 0 | 113.4 | H158 S159 P165 | H158-P167 CarbonylContact C-O 3.52Å; H158-P167 WeakPolarHBondContact CA-O 3.39Å; H158-P167 PolarHBondContact ND1-O 3.44Å; S159-P167 PolarHBondContact N-O 2.85Å; P165-P167 WeakPolarHBondContact O-CD 3.42Å |
| 168 | N | 93.6 | Very high | 79.8 | Confident | 44 Ų | 44 | 66 Ų | 66 | 24% | 0.235 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 119.7 | 178.9 | -65.1 | -70.1 | 0 | 0 | 0 | 108.9 | P50 V157 H158 Y166 | P50-N168 HydrophobicContact CG-CB 4.15Å; V157-N168 WeakPolarHBondContact O-CA 3.01Å; H158-N168 PolarHBondContact ND1-OD1 2.86Å; Y166-N168 PolarHBondContact O-N 2.96Å |
| 169 | Q | 94.3 | Very high | 77.4 | Confident | 28 Ų | 28 | 68 Ų | 68 | 13% | 0.131 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 150.9 | -179.9 | -46.5 | -172.5 | 74 | 0 | 0 | 110.1 | S156 V157 Y166 S203 A204 L205 | S156-Q169 CarbonylContact C-O 3.51Å; S156-Q169 WeakPolarHBondContact CA-O 3.37Å; V157-Q169 HydrophobicContact CG2-CB 3.72Å; V157-Q169 HydrophobicContact CG2-CG 4.3Å; V157-Q169 PolarHBondContact N-O 3.12Å; V157-Q169 PolarHBondContact O-N 3.43Å; Y166-Q169 VanDerWaalsContact CB-NE2 3.26Å; Y166-Q169 PolarHBondContact O-NE2 2.81Å; Q169-S203 PolarHBondContact NE2-O 3.32Å; Q169-A204 VanDerWaalsContact OE1-CA 3.23Å; Q169-L205 HydrophobicContact CB-CB 4.04Å; Q169-L205 HydrophobicContact CB-CD2 4.24Å |
| 170 | E | 94.6 | Very high | 74.6 | Confident | 79 Ų | 79 | 71.5 Ų | 71.5 | 37% | 0.369 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 141.5 | 175.4 | 179.4 | 174.1 | 113.1 | 0 | 0 | 109.6 | T154 L155 S156 | T154-E170 HydrophobicContact CG2-CG 3.74Å; L155-E170 CarbonylContact O-C 3.57Å; L155-E170 WeakPolarHBondContact O-CA 3.32Å; S156-E170 PolarHBondContact OG-OE2 3.23Å |
| 171 | I | 92.8 | Very high | 72.4 | Confident | 35 Ų | 35 | 74.6 Ų | 74.6 | 18% | 0.179 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 139.5 | 171.2 | -163.9 | 156.4 | 0 | 0 | 0 | 110.6 | L155 V173 L205 A207 V247 | L155-I171 HydrophobicContact CB-CG2 4.13Å; L155-I171 PolarHBondContact N-O 3.31Å; L155-I171 PolarHBondContact O-N 2.97Å; I171-V173 HydrophobicContact CG2-CG2 4.37Å; I171-L205 HydrophobicContact CB-CD2 3.81Å; I171-L205 HydrophobicContact CB-CG 4.3Å; I171-L205 HydrophobicContact CG2-CD2 3.55Å; I171-L205 HydrophobicContact CG2-CG 4.09Å; I171-A207 HydrophobicContact CD1-CB 3.45Å; I171-A207 VanDerWaalsContact CD1-CB 3.45Å; I171-A207 HydrophobicContact CG1-CB 4.34Å; I171-V247 HydrophobicContact CG2-CG1 4.39Å |
| 172 | R | 91.2 | Very high | 70.1 | Confident | 182 Ų | 182 | 80.8 Ų | 80.8 | 69% | 0.687 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 125.9 | 167.4 | -68 | -176.2 | -177.1 | 137.4 | 4.5 | 108.5 | R153 | R153-R172 WeakPolarHBondContact O-CA 3.39Å |
| 173 | V | 82.3 | Confident | 68 | Low | 6 Ų | 6 | 78.8 Ų | 78.8 | 4% | 0.036 | 50% | 0.501 | C | S | . | . | trans | -97.3 | -18.5 | -171.1 | -157.7 | 0 | 0 | 0 | 0 | 110.7 | L152 R153 I171 H190 T245 | L152-V173 HydrophobicContact CD2-CG2 4.16Å; L152-V173 HydrophobicContact CG-CG2 4.17Å; L152-V173 WeakPolarHBondContact O-CB 3.35Å; R153-V173 PolarHBondContact O-N 2.75Å; I171-V173 HydrophobicContact CG2-CG2 4.37Å; V173-H190 VanDerWaalsContact CG1-CE1 3.46Å; V173-H190 WeakPolarHBondContact CG1-CE1 3.32Å; V173-T245 VanDerWaalsContact CG1-CB 3.44Å; V173-T245 HydrophobicContact CG1-CG2 3.23Å; V173-T245 WeakPolarHBondContact CG1-OG1 3.39Å | ||
| 174 | S | 70.1 | Confident | 65.7 | Low | 56 Ų | 56 | 82.3 Ų | 82.3 | 39% | 0.392 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -71.9 | 147.9 | 175.6 | 59.1 | 0 | 0 | 0 | 0 | 112.3 | S176 | S174-S176 PolarHBondContact O-N 3.12Š|
| 175 | P | 57.6 | Low | 63.5 | Low | 96 Ų | 96 | 84.7 Ų | 84.7 | 62% | 0.623 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 137.2 | 178 | 21.9 | -30.4 | 0 | 0 | 0 | 111.5 | ||
| 176 | S | 43.3 | Very low | 61.2 | Low | 105 Ų | 105 | 86.6 Ų | 86.6 | 73% | 0.734 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 144.9 | 179.1 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | S174 G178 A179 | S174-S176 PolarHBondContact O-N 3.12Å; S176-G178 PolarHBondContact O-N 3.41Å; S176-A179 PolarHBondContact O-N 3.26Å |
| 177 | A | 42.3 | Very low | 59.1 | Low | 102 Ų | 102 | 83.6 Ų | 83.6 | 84% | 0.843 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 14.8 | -176 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 178 | G | 39.7 | Very low | 57.3 | Low | 78 Ų | 78 | 84.8 Ų | 84.8 | 80% | 0.804 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -12.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S176 | S176-G178 PolarHBondContact O-N 3.41Š|
| 179 | A | 44.8 | Very low | 56.5 | Low | 69 Ų | 69 | 86.4 Ų | 86.4 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -86.1 | 128.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | S176 | S176-A179 PolarHBondContact O-N 3.26Š|
| 180 | A | 31.7 | Very low | 56.1 | Low | 80 Ų | 80 | 86.3 Ų | 86.3 | 66% | 0.661 | 54% | 0.541 | S | S | * | . | trans | -43.7 | 137.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E182 | A180-E182 VanDerWaalsContact C-N 3.33Å; A180-E182 PolarHBondContact O-N 2.78Å | ||
| 181 | P | 37.3 | Very low | 55.8 | Low | 114 Ų | 114 | 82.6 Ų | 82.6 | 74% | 0.74 | 52% | 0.523 | S | S | * | . | trans | -67.4 | 102.9 | 168.6 | 29.3 | -27.3 | 0 | 0 | 0 | 104.9 | P183 | P181-P183 WeakPolarHBondContact O-CD 3.32Š| ||
| 182 | E | 33.2 | Very low | 55.8 | Low | 158 Ų | 158 | 80.9 Ų | 80.9 | 74% | 0.738 | 52% | 0.515 | S | S | * | . | trans | -76.2 | 102.3 | 151.6 | -80.8 | -65 | 125.9 | 0 | 0 | 104.8 | A180 D184 | A180-E182 VanDerWaalsContact C-N 3.33Å; A180-E182 PolarHBondContact O-N 2.78Å; E182-D184 PolarHBondContact O-N 3.22Å | ||
| 183 | P | 37 | Very low | 55.8 | Low | 90 Ų | 90 | 72.7 Ų | 72.7 | 58% | 0.584 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 130.6 | 161.5 | 33.2 | -30.6 | 0 | 0 | 0 | 104.6 | P181 | P181-P183 WeakPolarHBondContact O-CD 3.32Š|
| 184 | D | 33.8 | Very low | 56.5 | Low | 152 Ų | 152 | 72.5 Ų | 72.5 | 81% | 0.813 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.2 | 14.2 | 171.4 | -43 | -24.8 | 0 | 0 | 0 | 118.6 | E182 S186 | E182-D184 PolarHBondContact O-N 3.22Å; D184-S186 PolarHBondContact O-N 3.32Å |
| 185 | S | 41.1 | Very low | 57.6 | Low | 66 Ų | 66 | 71.4 Ų | 71.4 | 46% | 0.462 | 47% | 0.473 | S | S | . | . | trans | -76.6 | 74.1 | 159.3 | -175.4 | 0 | 0 | 0 | 0 | 111 | T187 S188 | S185-T187 PolarHBondContact O-N 3.23Å; S185-T187 VanDerWaalsContact O-N 3.16Å; S185-T187 PolarHBondContact OG-OG1 3.11Å; S185-S188 PolarHBondContact OG-OG 3.49Å | ||
| 186 | S | 43 | Very low | 59.3 | Low | 117 Ų | 117 | 67.1 Ų | 67.1 | 82% | 0.818 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 10.9 | 164.3 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | D184 | D184-S186 PolarHBondContact O-N 3.32Š|
| 187 | T | 46.9 | Very low | 61.7 | Low | 46 Ų | 46 | 62.9 Ų | 62.9 | 28% | 0.282 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | -10.6 | -165.9 | 54.9 | 0 | 0 | 0 | 0 | 114.8 | S185 H189 Q240 | S185-T187 PolarHBondContact O-N 3.23Å; S185-T187 VanDerWaalsContact O-N 3.16Å; S185-T187 PolarHBondContact OG-OG1 3.11Å; T187-H189 PolarHBondContact O-N 3.37Å; T187-H189 PolarHBondContact O-ND1 2.97Å; T187-Q240 PolarHBondContact O-OE1 2.89Å |
| 188 | S | 53.6 | Low | 64.1 | Low | 77 Ų | 77 | 58.1 Ų | 58.1 | 54% | 0.538 | 38% | 0.377 | S | S | . | . | trans | -86.3 | 112.9 | 174.3 | 55.3 | 0 | 0 | 0 | 0 | 110.6 | S185 | S185-S188 PolarHBondContact OG-OG 3.49Š| ||
| 189 | H | 75.5 | Confident | 66.7 | Low | 79 Ų | 79 | 54.4 Ų | 54.4 | 37% | 0.366 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 133.3 | 174.3 | -67.6 | 73.7 | 0 | 0 | 0 | 108.5 | T187 L215 Q240 T242 L243 | T187-H189 PolarHBondContact O-N 3.37Å; T187-H189 PolarHBondContact O-ND1 2.97Å; H189-L215 HydrophobicContact CB-CB 3.96Å; H189-L215 HydrophobicContact CB-CD2 4Å; H189-L215 HydrophobicContact CB-CG 4.43Å; H189-L215 VanDerWaalsContact CD2-CD2 3.4Å; H189-L215 WeakPolarHBondContact CD2-CD2 3.48Å; H189-Q240 PolarHBondContact CE1-OE1 3.45Å; H189-T242 HydrophobicContact CB-CG2 4.24Å; H189-T242 CarbonylContact O-C 3.54Å; H189-T242 VanDerWaalsContact O-CA 3.3Å; H189-T242 WeakPolarHBondContact O-CA 3.32Å; H189-T242 VanDerWaalsContact O-CG2 3.25Å; H189-T242 WeakPolarHBondContact O-CG2 3.47Å; H189-L243 PolarHBondContact O-N 3.09Å |
| 190 | H | 85.6 | Confident | 68.9 | Low | 26 Ų | 26 | 51.8 Ų | 51.8 | 12% | 0.12 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.4 | 176.3 | -170 | 178.9 | 0 | 0 | 0 | 109.1 | L150 G151 L152 V173 S192 L243 T245 | L150-H190 WeakPolarHBondContact CA-O 3.22Å; G151-H190 PolarHBondContact N-O 3.1Å; L152-H190 PolarHBondContact O-CE1 2.87Å; L152-H190 PolarHBondContact O-ND1 2.87Å; V173-H190 VanDerWaalsContact CG1-CE1 3.46Å; V173-H190 WeakPolarHBondContact CG1-CE1 3.32Å; H190-S192 PolarHBondContact NE2-OG 2.86Å; H190-L243 WeakPolarHBondContact CA-O 3.05Å; H190-L243 PolarHBondContact CD2-O 3.12Å; H190-L243 VanDerWaalsContact CD2-O 3.28Å; H190-T245 PolarHBondContact NE2-OG1 3.44Å |
| 191 | M | 88.9 | Confident | 71.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 131 | 175.2 | -175.6 | 178.8 | -178.4 | 0 | 0 | 109.2 | V148 L150 F193 L215 F218 L225 F227 T242 L243 V244 T245 | V148-M191 HydrophobicContact CG1-CE 3.43Å; V148-M191 VanDerWaalsContact CG1-CE 3.43Å; V148-M191 HydrophobicContact CG1-CG 4.25Å; V148-M191 HydrophobicContact CG2-CE 4.36Å; L150-M191 HydrophobicContact CD2-CB 4.4Å; L150-M191 HydrophobicContact CD2-CG 4.22Å; M191-F193 HydrophobicContact CE-CE1 3.72Å; M191-F193 HydrophobicContact CE-CE2 3.71Å; M191-F193 HydrophobicContact CE-CZ 3.21Å; M191-F193 HydrophobicContact CG-CE2 4.29Å; M191-F193 HydrophobicContact SD-CE2 3.97Å; M191-F193 HydrophobicContact SD-CZ 4.03Å; M191-L215 HydrophobicContact CB-CD1 4.46Å; M191-L215 HydrophobicContact SD-CD1 4.25Å; M191-F218 HydrophobicContact CE-CD1 4.21Å; M191-F218 HydrophobicContact SD-CD1 3.57Å; M191-F218 VanDerWaalsContact SD-CD1 3.57Å; M191-F218 HydrophobicContact SD-CE1 3.72Å; M191-F218 HydrophobicContact SD-CG 4.11Å; M191-F218 HydrophobicContact SD-CZ 4.34Å; M191-L225 HydrophobicContact CE-CD1 3.45Å; M191-L225 VanDerWaalsContact CE-CD1 3.45Å; M191-F227 HydrophobicContact CE-CE1 3.74Å; M191-F227 HydrophobicContact CE-CZ 3.68Å; M191-F227 HydrophobicContact SD-CE1 4.08Å; M191-F227 HydrophobicContact SD-CZ 4.2Å; M191-T242 HydrophobicContact CB-CG2 3.92Å; M191-L243 PolarHBondContact N-O 3.48Å; M191-V244 CarbonylContact O-C 3.57Å; M191-V244 VanDerWaalsContact O-CA 3.28Å; M191-V244 WeakPolarHBondContact O-CA 3.3Å; M191-T245 PolarHBondContact O-N 3.38Å |
| 192 | S | 91.9 | Very high | 74.4 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 125.4 | -179.2 | -69.2 | 0 | 0 | 0 | 0 | 110.5 | V148 L149 H190 T245 | V148-S192 CarbonylContact C-O 3.53Å; V148-S192 WeakPolarHBondContact CA-O 3.34Å; L149-S192 PolarHBondContact N-O 2.82Å; L149-S192 PolarHBondContact O-N 2.8Å; H190-S192 PolarHBondContact NE2-OG 2.86Å; S192-T245 CarbonylContact C-O 3.55Å; S192-T245 VanDerWaalsContact CA-O 3.3Å; S192-T245 WeakPolarHBondContact CA-O 3.24Å |
| 193 | F | 93.1 | Very high | 77.1 | Confident | 10 Ų | 10 | 43.2 Ų | 43.2 | 4% | 0.044 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 108.1 | 170.1 | -70.5 | -81.3 | 0 | 0 | 0 | 107.8 | Q146 V148 M191 F222 L225 V244 T245 F246 V247 | Q146-F193 HydrophobicContact CG-CB 4.02Å; Q146-F193 HydrophobicContact CG-CD1 3.68Å; Q146-F193 HydrophobicContact CG-CG 4.34Å; Q146-F193 PolarHBondContact NE2-O 2.76Å; V148-F193 HydrophobicContact CG2-CD1 3.7Å; V148-F193 HydrophobicContact CG2-CE1 3.72Å; M191-F193 HydrophobicContact CE-CE1 3.72Å; M191-F193 HydrophobicContact CE-CE2 3.71Å; M191-F193 HydrophobicContact CE-CZ 3.21Å; M191-F193 HydrophobicContact CG-CE2 4.29Å; M191-F193 HydrophobicContact SD-CE2 3.97Å; M191-F193 HydrophobicContact SD-CZ 4.03Å; F193-F222 HydrophobicContact CE1-CE1 4.21Å; F193-F222 HydrophobicContact CE1-CZ 4.41Å; F193-F222 HydrophobicContact CZ-CE1 4.06Å; F193-F222 HydrophobicContact CZ-CE2 4.11Å; F193-F222 AromaticContact CZ-CZ 3.81Å; F193-F222 HydrophobicContact CZ-CZ 3.81Å; F193-L225 HydrophobicContact CE1-CD1 4.34Å; F193-V244 HydrophobicContact CD2-CG1 3.59Å; F193-V244 HydrophobicContact CE2-CG1 3.57Å; F193-T245 PolarHBondContact N-O 3.02Å; F193-F246 HydrophobicContact CB-CD1 3.71Å; F193-F246 HydrophobicContact CB-CE1 4.03Å; F193-F246 HydrophobicContact CB-CG 4.47Å; F193-F246 HydrophobicContact CD2-CD1 4.14Å; F193-F246 AromaticContact CD2-CE1 3.68Å; F193-F246 HydrophobicContact CD2-CE1 3.68Å; F193-F246 HydrophobicContact CD2-CZ 4.01Å; F193-F246 HydrophobicContact CE2-CE1 4.31Å; F193-F246 HydrophobicContact CE2-CZ 4.37Å; F193-F246 HydrophobicContact CG-CD1 4.17Å; F193-F246 AromaticContact CG-CE1 3.96Å; F193-F246 HydrophobicContact CG-CE1 3.96Å; F193-F246 CarbonylContact O-C 3.52Å; F193-F246 WeakPolarHBondContact O-CA 3.33Å; F193-V247 PolarHBondContact O-N 3.11Å |
| 194 | V | 95.1 | Very high | 79.8 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 122.8 | -177.5 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | Q146 L147 L149 L152 L155 I196 I198 V247 | Q146-V194 PolarHBondContact NE2-O 3.07Å; L147-V194 HydrophobicContact CB-CB 4.38Å; L147-V194 PolarHBondContact N-O 2.94Å; L147-V194 PolarHBondContact O-N 3.16Å; L149-V194 HydrophobicContact CD1-CG2 3.96Å; L152-V194 HydrophobicContact CD2-CG2 4.24Å; L155-V194 HydrophobicContact CD2-CG1 3.83Å; L155-V194 HydrophobicContact CD2-CG2 4.3Å; V194-I196 PolarHBondContact O-N 2.81Å; V194-I198 HydrophobicContact CG1-CD1 3.51Å; V194-V247 HydrophobicContact CB-CB 4.43Å; V194-V247 HydrophobicContact CG1-CB 4.32Å; V194-V247 HydrophobicContact CG1-CG1 4.49Å; V194-V247 HydrophobicContact CG2-CB 4.15Å; V194-V247 HydrophobicContact CG2-CG2 4.2Å |
| 195 | D | 95 | Very high | 82.7 | Confident | 33 Ų | 33 | 34.4 Ų | 34.4 | 18% | 0.176 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 119.6 | 168.8 | -175.3 | -9.8 | 0 | 0 | 0 | 108.8 | S144 R145 G197 I198 V247 | S144-D195 VanDerWaalsContact CA-OD1 3.3Å; S144-D195 WeakPolarHBondContact CA-OD1 3.43Å; S144-D195 WeakPolarHBondContact CB-OD1 3.34Å; S144-D195 PolarHBondContact OG-OD1 3.18Å; S144-D195 PolarHBondContact OG-OD2 2.86Å; R145-D195 PolarHBondContact N-OD1 2.99Å; R145-D195 WeakPolarHBondContact O-CA 3.47Å; D195-G197 PolarHBondContact O-N 3.06Å; D195-G197 PolarHBondContact OD1-N 2.9Å; D195-I198 WeakPolarHBondContact O-CD1 3.3Å; D195-I198 WeakPolarHBondContact O-CG1 3.43Å; D195-I198 WeakPolarHBondContact O-CG2 3.19Å; D195-I198 PolarHBondContact O-N 2.81Å; D195-V247 PolarHBondContact N-O 3.39Å |
| 196 | I | 93.4 | Very high | 85.3 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 4% | 0.036 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -69.6 | -14.8 | 179.9 | 71.3 | 173.8 | 0 | 0 | 0 | 112.7 | L117 L120 Q143 R145 L147 V194 I198 L199 | L117-I196 HydrophobicContact CD2-CD1 3.76Å; L120-I196 HydrophobicContact CD1-CB 4Å; L120-I196 HydrophobicContact CD1-CD1 4.13Å; L120-I196 HydrophobicContact CD1-CG2 3.85Å; Q143-I196 WeakPolarHBondContact O-CG1 3.38Å; R145-I196 HydrophobicContact CB-CD1 3.72Å; R145-I196 HydrophobicContact CB-CG1 3.9Å; R145-I196 HydrophobicContact CG-CD1 4.2Å; R145-I196 WeakPolarHBondContact O-CG1 3.37Å; R145-I196 PolarHBondContact O-N 2.85Å; L147-I196 HydrophobicContact CB-CG2 3.73Å; V194-I196 PolarHBondContact O-N 2.81Å; I196-I198 PolarHBondContact O-N 2.89Å; I196-L199 VanDerWaalsContact O-CB 3.27Å; I196-L199 WeakPolarHBondContact O-CB 3.21Å; I196-L199 WeakPolarHBondContact O-CG 3.43Å; I196-L199 PolarHBondContact O-N 2.65Å; I196-L199 VanDerWaalsContact O-N 3.11Å |
| 197 | G | 92.4 | Very high | 87.7 | Confident | 15 Ų | 15 | 32.9 Ų | 32.9 | 16% | 0.155 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -60.1 | -22 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D195 L199 N200 | D195-G197 PolarHBondContact O-N 3.06Å; D195-G197 PolarHBondContact OD1-N 2.9Å; G197-L199 PolarHBondContact O-N 3.48Å; G197-N200 WeakPolarHBondContact O-CB 3.39Å; G197-N200 PolarHBondContact O-N 2.86Å; G197-N200 VanDerWaalsContact O-N 3.11Å; G197-N200 PolarHBondContact O-ND2 3.19Å; G197-N200 VanDerWaalsContact O-ND2 3.12Å |
| 198 | I | 93.6 | Very high | 89.9 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -58.9 | -26.4 | 174.6 | 69.1 | -172.5 | 0 | 0 | 0 | 112.7 | L155 V157 V194 D195 I196 N200 G201 L205 V247 Y248 | L155-I198 HydrophobicContact CD2-CD1 3.92Å; V157-I198 HydrophobicContact CG1-CD1 3.85Å; V157-I198 HydrophobicContact CG1-CG1 4.17Å; V194-I198 HydrophobicContact CG1-CD1 3.51Å; D195-I198 WeakPolarHBondContact O-CD1 3.3Å; D195-I198 WeakPolarHBondContact O-CG1 3.43Å; D195-I198 WeakPolarHBondContact O-CG2 3.19Å; D195-I198 PolarHBondContact O-N 2.81Å; I196-I198 PolarHBondContact O-N 2.89Å; I198-N200 PolarHBondContact O-N 3.22Å; I198-G201 PolarHBondContact O-N 2.03Å; I198-L205 HydrophobicContact CB-CD1 4.11Å; I198-L205 HydrophobicContact CD1-CD1 3.7Å; I198-L205 HydrophobicContact CG1-CD1 4.41Å; I198-L205 HydrophobicContact CG2-CD1 3.96Å; I198-V247 HydrophobicContact CD1-CG1 4.42Å; I198-Y248 VanDerWaalsContact CG2-OXT 3.29Å; I198-Y248 WeakPolarHBondContact CG2-OXT 3.13Å |
| 199 | L | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -67.8 | -16.8 | 180 | -69.5 | 178.9 | 0 | 0 | 0 | 113.1 | L120 L134 F136 L142 V157 S159 I196 G197 G201 | L120-L199 HydrophobicContact CD1-CD1 3.92Å; L134-L199 HydrophobicContact CB-CD2 3.55Å; L134-L199 HydrophobicContact CD1-CD1 4.46Å; L134-L199 HydrophobicContact CD1-CD2 4.21Å; F136-L199 HydrophobicContact CB-CB 3.95Å; F136-L199 HydrophobicContact CG-CB 4.32Å; L142-L199 HydrophobicContact CD1-CB 4.01Å; L142-L199 HydrophobicContact CD1-CD1 3.73Å; L142-L199 HydrophobicContact CD1-CG 4.48Å; V157-L199 HydrophobicContact CB-CD2 4.24Å; V157-L199 HydrophobicContact CG1-CD2 4.08Å; S159-L199 WeakPolarHBondContact CB-O 3.03Å; S159-L199 PolarHBondContact OG-O 3.47Å; S159-L199 VanDerWaalsContact OG-O 3.12Å; I196-L199 VanDerWaalsContact O-CB 3.27Å; I196-L199 WeakPolarHBondContact O-CB 3.21Å; I196-L199 WeakPolarHBondContact O-CG 3.43Å; I196-L199 PolarHBondContact O-N 2.65Å; I196-L199 VanDerWaalsContact O-N 3.11Å; G197-L199 PolarHBondContact O-N 3.48Å; L199-G201 PolarHBondContact O-N 2.77Å |
| 200 | N | 92.3 | Very high | 92.4 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -72.1 | -17.7 | 171.8 | -60.1 | -44.7 | 0 | 0 | 0 | 112.1 | P141 L142 S159 G197 I198 L202 | P141-N200 VanDerWaalsContact CA-OD1 3.26Å; P141-N200 WeakPolarHBondContact CA-OD1 3.3Å; L142-N200 PolarHBondContact N-OD1 2.85Å; L142-N200 PolarHBondContact O-ND2 3.21Å; S159-N200 PolarHBondContact OG-O 2.75Å; G197-N200 WeakPolarHBondContact O-CB 3.39Å; G197-N200 PolarHBondContact O-N 2.86Å; G197-N200 VanDerWaalsContact O-N 3.11Å; G197-N200 PolarHBondContact O-ND2 3.19Å; G197-N200 VanDerWaalsContact O-ND2 3.12Å; I198-N200 PolarHBondContact O-N 3.22Å; N200-L202 HydrophobicContact CB-CD1 4.02Å; N200-L202 HydrophobicContact CB-CG 3.82Å; N200-L202 PolarHBondContact O-N 2.96Å |
| 201 | G | 92.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | 68.4 | 18.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P165 Y166 I198 L199 | P165-G201 WeakPolarHBondContact CD-O 3.49Å; P165-G201 WeakPolarHBondContact CG-O 3.3Å; Y166-G201 PolarHBondContact N-O 3.28Å; Y166-G201 VanDerWaalsContact N-O 3.11Å; I198-G201 PolarHBondContact O-N 2.03Å; L199-G201 PolarHBondContact O-N 2.77Å | ||
| 202 | L | 91.4 | Very high | 92.1 | Very high | 121 Ų | 121 | 40.7 Ų | 40.7 | 63% | 0.634 | 23% | 0.226 | S | C | * | . | trans | -78.3 | -22.6 | -177.7 | -61.2 | 177.9 | 0 | 0 | 0 | 113.3 | N200 | N200-L202 HydrophobicContact CB-CD1 4.02Å; N200-L202 HydrophobicContact CB-CG 3.82Å; N200-L202 PolarHBondContact O-N 2.96Å | ||
| 203 | S | 90.4 | Very high | 91.6 | Very high | 51 Ų | 51 | 43.3 Ų | 43.3 | 36% | 0.357 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -129.2 | 154.4 | 180 | 50.7 | 0 | 0 | 0 | 0 | 111.4 | Y166 Q169 | Y166-S203 VanDerWaalsContact CD2-C 3.44Å; Q169-S203 PolarHBondContact NE2-O 3.32Å |
| 204 | A | 93.4 | Very high | 91 | Very high | 35 Ų | 35 | 44 Ų | 44 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | trans | -68.7 | 134 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y166 Q169 K206 | Y166-A204 HydrophobicContact CD1-CB 4.45Å; Y166-A204 HydrophobicContact CE1-CB 4.22Å; Y166-A204 HydrophobicContact CE2-CB 4.33Å; Q169-A204 VanDerWaalsContact OE1-CA 3.23Å; A204-K206 PolarHBondContact O-N 2.03Å | ||
| 205 | L | 94.4 | Very high | 90.1 | Very high | 22 Ų | 22 | 44.7 Ų | 44.7 | 12% | 0.115 | 25% | 0.252 | C | S | . | . | trans | -65.3 | 127.8 | -178.5 | -170.8 | 64 | 0 | 0 | 0 | 110.6 | V157 Q169 I171 I198 V247 | V157-L205 HydrophobicContact CG2-CD2 4.19Å; Q169-L205 HydrophobicContact CB-CB 4.04Å; Q169-L205 HydrophobicContact CB-CD2 4.24Å; I171-L205 HydrophobicContact CB-CD2 3.81Å; I171-L205 HydrophobicContact CB-CG 4.3Å; I171-L205 HydrophobicContact CG2-CD2 3.55Å; I171-L205 HydrophobicContact CG2-CG 4.09Å; I198-L205 HydrophobicContact CB-CD1 4.11Å; I198-L205 HydrophobicContact CD1-CD1 3.7Å; I198-L205 HydrophobicContact CG1-CD1 4.41Å; I198-L205 HydrophobicContact CG2-CD1 3.96Å; L205-V247 HydrophobicContact CD1-CG1 3.54Å; L205-V247 HydrophobicContact CG-CG1 4.24Å | ||
| 206 | K | 94.8 | Very high | 89.1 | Confident | 116 Ų | 116 | 49 Ų | 49 | 50% | 0.504 | 27% | 0.271 | S | S | . | . | trans | -129.9 | 151.2 | 179.9 | -68.7 | 172.8 | -173.5 | 175.8 | 0 | 109.8 | A204 V247 Y248 | A204-K206 PolarHBondContact O-N 2.03Å; K206-V247 WeakPolarHBondContact O-CA 3.19Å; K206-Y248 HydrophobicContact CB-CD2 4.32Å; K206-Y248 HydrophobicContact CB-CE1 4.04Å; K206-Y248 HydrophobicContact CB-CE2 3.82Å; K206-Y248 HydrophobicContact CD-CE2 3.81Å; K206-Y248 HydrophobicContact CG-CE2 4.44Å; K206-Y248 PolarHBondContact N-O 3.05Å; K206-Y248 PolarHBondContact O-N 3.48Å | ||
| 207 | A | 94.8 | Very high | 88.4 | Confident | 36 Ų | 36 | 49.8 Ų | 49.8 | 30% | 0.298 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 151.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I171 T245 F246 V247 | I171-A207 HydrophobicContact CD1-CB 3.45Å; I171-A207 VanDerWaalsContact CD1-CB 3.45Å; I171-A207 HydrophobicContact CG1-CB 4.34Å; A207-T245 HydrophobicContact CB-CG2 3.92Å; A207-F246 WeakPolarHBondContact CA-O 3.46Å; A207-F246 WeakPolarHBondContact CB-O 3.37Å; A207-V247 HydrophobicContact CB-CG2 4.05Å |
| 208 | Y | 93.3 | Very high | 87.7 | Confident | 116 Ų | 116 | 49.4 Ų | 49.4 | 46% | 0.455 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 150 | 164.4 | 69.3 | -86.6 | 0 | 0 | 0 | 109.7 | I210 T245 F246 Y248 | Y208-I210 HydrophobicContact CD2-CG2 4.19Å; Y208-I210 HydrophobicContact CE2-CG2 4.27Å; Y208-T245 WeakPolarHBondContact O-CA 3.4Å; Y208-F246 HydrophobicContact CD1-CB 4.12Å; Y208-F246 HydrophobicContact CD2-CD2 4.19Å; Y208-F246 HydrophobicContact CE1-CB 3.54Å; Y208-F246 HydrophobicContact CE1-CD2 4.31Å; Y208-F246 HydrophobicContact CE1-CG 4.14Å; Y208-F246 HydrophobicContact CE2-CB 4.21Å; Y208-F246 AromaticContact CE2-CD2 3.42Å; Y208-F246 HydrophobicContact CE2-CD2 3.42Å; Y208-F246 VanDerWaalsContact CE2-CD2 3.42Å; Y208-F246 HydrophobicContact CE2-CE2 4.1Å; Y208-F246 HydrophobicContact CE2-CG 4.07Å; Y208-F246 AromaticContact CZ-CD2 3.48Å; Y208-F246 VanDerWaalsContact CZ-CD2 3.48Å; Y208-F246 AromaticContact CZ-CG 3.63Å; Y208-F246 PolarHBondContact N-O 3.48Å; Y208-F246 VanDerWaalsContact N-O 3.08Å; Y208-F246 PolarHBondContact O-N 2.81Å; Y208-F246 WeakPolarHBondContact OH-CD2 3.26Å; Y208-F246 WeakPolarHBondContact OH-CG 3.45Å; Y208-Y248 AromaticContact CD1-CE1 3.81Å; Y208-Y248 HydrophobicContact CD1-CE1 3.81Å; Y208-Y248 HydrophobicContact CE1-CD1 4.49Å; Y208-Y248 AromaticContact CE1-CE1 3.93Å; Y208-Y248 HydrophobicContact CE1-CE1 3.93Å |
| 209 | S | 91 | Very high | 86.7 | Confident | 57 Ų | 57 | 52 Ų | 52 | 40% | 0.399 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 144.1 | -177.7 | -57 | 0 | 0 | 0 | 0 | 111.1 | V244 T245 | S209-V244 CarbonylContact C-O 3.51Å; S209-V244 VanDerWaalsContact CA-O 3.23Å; S209-V244 WeakPolarHBondContact CA-O 3.18Å; S209-T245 WeakPolarHBondContact OG-CG2 3.5Å; S209-T245 PolarHBondContact OG-OG1 3Å |
| 210 | I | 89.3 | Confident | 85.9 | Confident | 85 Ų | 85 | 59.1 Ų | 59.1 | 44% | 0.436 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 158 | 173.5 | 65.6 | 173.6 | 0 | 0 | 0 | 109.7 | Y208 V244 F246 | Y208-I210 HydrophobicContact CD2-CG2 4.19Å; Y208-I210 HydrophobicContact CE2-CG2 4.27Å; I210-V244 HydrophobicContact CG1-CB 3.87Å; I210-V244 HydrophobicContact CG1-CG1 4.47Å; I210-V244 PolarHBondContact N-O 3.45Å; I210-V244 PolarHBondContact O-N 2.89Å; I210-F246 HydrophobicContact CD1-CE2 3.89Å; I210-F246 HydrophobicContact CG1-CE2 4.15Å |
| 211 | I | 87.4 | Confident | 85.1 | Confident | 120 Ų | 120 | 64.7 Ų | 64.7 | 62% | 0.615 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 114.8 | 170.9 | -62.8 | 173.5 | 0 | 0 | 0 | 107.4 | Q241 | I211-Q241 HydrophobicContact CG2-CB 3.77Å; I211-Q241 HydrophobicContact CG2-CG 4.01Å |
| 212 | G | 82.1 | Confident | 84.2 | Confident | 13 Ų | 13 | 68.4 Ų | 68.4 | 13% | 0.134 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 177.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | T242 | G212-T242 PolarHBondContact N-O 2.98Å; G212-T242 PolarHBondContact O-N 2.83Å |
| 213 | P | 80.7 | Confident | 82.9 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -66.5 | 178 | 175.4 | 33.4 | -37.9 | 0 | 0 | 0 | 111.1 | T217 F218 F221 T242 | P213-T217 WeakPolarHBondContact CB-OG1 3.04Å; P213-F218 HydrophobicContact CG-CD2 4.29Å; P213-F218 HydrophobicContact CG-CE2 3.79Å; P213-F218 HydrophobicContact CG-CZ 4.09Å; P213-F218 VanDerWaalsContact O-CE2 3.31Å; P213-F218 WeakPolarHBondContact O-CE2 3.49Å; P213-F221 HydrophobicContact CG-CE2 4.3Å; P213-T242 WeakPolarHBondContact O-CB 3.33Å; P213-T242 PolarHBondContact O-N 2.92Å; P213-T242 PolarHBondContact O-OG1 2.9Å |
| 214 | P | 80.3 | Confident | 81.7 | Confident | 25 Ų | 25 | 73.4 Ų | 73.4 | 16% | 0.162 | 38% | 0.384 | C | S | . | . | trans | -62.9 | 143.7 | 175.5 | -24.4 | 35.4 | 0 | 0 | 0 | 113.8 | H216 T217 Q240 | P214-H216 VanDerWaalsContact C-N 3.26Å; P214-H216 WeakPolarHBondContact CB-CE1 3.21Å; P214-H216 PolarHBondContact O-N 3.3Å; P214-H216 VanDerWaalsContact O-N 3.14Å; P214-T217 HydrophobicContact CB-CG2 4.37Å; P214-T217 WeakPolarHBondContact O-CB 3.49Å; P214-T217 PolarHBondContact O-N 2.91Å; P214-T217 PolarHBondContact O-OG1 3.43Å; P214-Q240 WeakPolarHBondContact CA-O 3.47Å; P214-Q240 WeakPolarHBondContact CB-O 3.35Å; P214-Q240 WeakPolarHBondContact CG-O 3Å | ||
| 215 | L | 75.9 | Confident | 80.4 | Confident | 15 Ų | 15 | 73 Ų | 73 | 8% | 0.079 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -54.8 | -39.6 | -171.2 | -172.5 | 68.4 | 0 | 0 | 0 | 113 | L150 H189 M191 T217 F218 F227 L229 T242 | L150-L215 HydrophobicContact CD2-CD1 4.37Å; H189-L215 HydrophobicContact CB-CB 3.96Å; H189-L215 HydrophobicContact CB-CD2 4Å; H189-L215 HydrophobicContact CB-CG 4.43Å; H189-L215 VanDerWaalsContact CD2-CD2 3.4Å; H189-L215 WeakPolarHBondContact CD2-CD2 3.48Å; M191-L215 HydrophobicContact CB-CD1 4.46Å; M191-L215 HydrophobicContact SD-CD1 4.25Å; L215-T217 PolarHBondContact O-N 3.34Å; L215-T217 VanDerWaalsContact O-N 3.15Å; L215-F218 HydrophobicContact CD1-CD2 4.34Å; L215-F218 WeakPolarHBondContact O-CB 3.45Å; L215-F218 PolarHBondContact O-N 3.23Å; L215-F227 HydrophobicContact CD1-CD1 4.37Å; L215-F227 HydrophobicContact CD1-CE1 4.19Å; L215-L229 HydrophobicContact CD2-CD2 4.38Å; L215-T242 WeakPolarHBondContact CA-OG1 3.43Å; L215-T242 HydrophobicContact CD1-CG2 4.11Å; L215-T242 PolarHBondContact N-OG1 2.93Å |
| 216 | H | 75.1 | Confident | 78.8 | Confident | 123 Ų | 123 | 76.6 Ų | 76.6 | 57% | 0.569 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -60.7 | -25.2 | 178.7 | 63.2 | -95.3 | 0 | 0 | 0 | 113.6 | P214 S219 L229 | P214-H216 VanDerWaalsContact C-N 3.26Å; P214-H216 WeakPolarHBondContact CB-CE1 3.21Å; P214-H216 PolarHBondContact O-N 3.3Å; P214-H216 VanDerWaalsContact O-N 3.14Å; H216-S219 PolarHBondContact O-OG 2.02Å; H216-S219 VanDerWaalsContact O-OG 3.12Å; H216-L229 HydrophobicContact CB-CD2 4.45Å |
| 217 | T | 79.1 | Confident | 77.3 | Confident | 23 Ų | 23 | 72 Ų | 72 | 14% | 0.141 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -80.3 | -15.6 | 177.9 | 69.3 | 0 | 0 | 0 | 0 | 113.3 | P213 P214 L215 S219 Q220 F221 | P213-T217 WeakPolarHBondContact CB-OG1 3.04Å; P214-T217 HydrophobicContact CB-CG2 4.37Å; P214-T217 WeakPolarHBondContact O-CB 3.49Å; P214-T217 PolarHBondContact O-N 2.91Å; P214-T217 PolarHBondContact O-OG1 3.43Å; L215-T217 PolarHBondContact O-N 3.34Å; L215-T217 VanDerWaalsContact O-N 3.15Å; T217-S219 PolarHBondContact O-N 3.41Å; T217-Q220 WeakPolarHBondContact O-CB 3.38Å; T217-Q220 PolarHBondContact O-N 3.45Å; T217-F221 WeakPolarHBondContact O-CD2 3.04Å |
| 218 | F | 77.6 | Confident | 75.4 | Confident | 8 Ų | 8 | 74.4 Ų | 74.4 | 4% | 0.035 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.4 | -28.9 | -178.3 | -84 | -103.2 | 0 | 0 | 0 | 113 | M191 P213 L215 Q220 F221 F222 F227 T242 V244 | M191-F218 HydrophobicContact CE-CD1 4.21Å; M191-F218 HydrophobicContact SD-CD1 3.57Å; M191-F218 VanDerWaalsContact SD-CD1 3.57Å; M191-F218 HydrophobicContact SD-CE1 3.72Å; M191-F218 HydrophobicContact SD-CG 4.11Å; M191-F218 HydrophobicContact SD-CZ 4.34Å; P213-F218 HydrophobicContact CG-CD2 4.29Å; P213-F218 HydrophobicContact CG-CE2 3.79Å; P213-F218 HydrophobicContact CG-CZ 4.09Å; P213-F218 VanDerWaalsContact O-CE2 3.31Å; P213-F218 WeakPolarHBondContact O-CE2 3.49Å; L215-F218 HydrophobicContact CD1-CD2 4.34Å; L215-F218 WeakPolarHBondContact O-CB 3.45Å; L215-F218 PolarHBondContact O-N 3.23Å; F218-Q220 PolarHBondContact O-N 3.44Å; F218-Q220 VanDerWaalsContact O-N 3.13Å; F218-F221 PolarHBondContact O-N 3.46Å; F218-F222 HydrophobicContact CB-CD2 4.32Å; F218-F222 AromaticContact CD1-CD2 3.69Å; F218-F222 HydrophobicContact CD1-CD2 3.69Å; F218-F222 AromaticContact CD1-CE2 3.6Å; F218-F222 HydrophobicContact CD1-CE2 3.6Å; F218-F222 HydrophobicContact CE1-CE2 4.04Å; F218-F222 HydrophobicContact CG-CD2 4.46Å; F218-F222 WeakPolarHBondContact O-CD2 3.15Å; F218-F222 PolarHBondContact O-N 3.5Å; F218-F227 HydrophobicContact CB-CE2 3.84Å; F218-F227 HydrophobicContact CB-CZ 3.81Å; F218-T242 HydrophobicContact CE2-CG2 4.05Å; F218-T242 HydrophobicContact CZ-CG2 4.31Å; F218-V244 HydrophobicContact CE1-CG2 3.96Å; F218-V244 HydrophobicContact CZ-CG2 3.48Å; F218-V244 VanDerWaalsContact CZ-CG2 3.48Å |
| 219 | S | 72.8 | Confident | 73.5 | Confident | 55 Ų | 55 | 73 Ų | 73 | 39% | 0.385 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56 | -28.1 | 174.3 | 59 | 0 | 0 | 0 | 0 | 113.1 | H216 T217 F222 P223 | H216-S219 PolarHBondContact O-OG 2.02Å; H216-S219 VanDerWaalsContact O-OG 3.12Å; T217-S219 PolarHBondContact O-N 3.41Å; S219-F222 CarbonylContact O-C 3.56Å; S219-P223 WeakPolarHBondContact O-CA 2.99Å |
| 220 | Q | 75.8 | Confident | 71.5 | Confident | 150 Ų | 150 | 79 Ų | 79 | 70% | 0.701 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -74.2 | -32.6 | 177.4 | -57.1 | 178.5 | -2.5 | 0 | 0 | 112.4 | T217 F218 | T217-Q220 WeakPolarHBondContact O-CB 3.38Å; T217-Q220 PolarHBondContact O-N 3.45Å; F218-Q220 PolarHBondContact O-N 3.44Å; F218-Q220 VanDerWaalsContact O-N 3.13Å |
| 221 | F | 74.4 | Confident | 69.1 | Low | 132 Ų | 132 | 80.5 Ų | 80.5 | 58% | 0.579 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -92.4 | -23.7 | 179.9 | -57.6 | -73.5 | 0 | 0 | 0 | 112.3 | P213 T217 F218 | P213-F221 HydrophobicContact CG-CE2 4.3Å; T217-F221 WeakPolarHBondContact O-CD2 3.04Å; F218-F221 PolarHBondContact O-N 3.46Å |
| 222 | F | 73.7 | Confident | 66.9 | Low | 78 Ų | 78 | 83.7 Ų | 83.7 | 34% | 0.342 | 44% | 0.441 | S | S | . | . | trans | -134.9 | 74.2 | -175.2 | -57.8 | -82.7 | 0 | 0 | 0 | 110.3 | F193 F218 S219 H224 L225 | F193-F222 HydrophobicContact CE1-CE1 4.21Å; F193-F222 HydrophobicContact CE1-CZ 4.41Å; F193-F222 HydrophobicContact CZ-CE1 4.06Å; F193-F222 HydrophobicContact CZ-CE2 4.11Å; F193-F222 AromaticContact CZ-CZ 3.81Å; F193-F222 HydrophobicContact CZ-CZ 3.81Å; F218-F222 HydrophobicContact CB-CD2 4.32Å; F218-F222 AromaticContact CD1-CD2 3.69Å; F218-F222 HydrophobicContact CD1-CD2 3.69Å; F218-F222 AromaticContact CD1-CE2 3.6Å; F218-F222 HydrophobicContact CD1-CE2 3.6Å; F218-F222 HydrophobicContact CE1-CE2 4.04Å; F218-F222 HydrophobicContact CG-CD2 4.46Å; F218-F222 WeakPolarHBondContact O-CD2 3.15Å; F218-F222 PolarHBondContact O-N 3.5Å; S219-F222 CarbonylContact O-C 3.56Å; F222-H224 PolarHBondContact O-N 3.41Å; F222-L225 HydrophobicContact CB-CB 4.23Å; F222-L225 HydrophobicContact CB-CD1 3.45Å; F222-L225 VanDerWaalsContact CB-CD1 3.45Å; F222-L225 HydrophobicContact CB-CG 3.76Å; F222-L225 HydrophobicContact CD1-CD1 4.23Å; F222-L225 HydrophobicContact CD2-CD1 4.43Å; F222-L225 HydrophobicContact CG-CD1 3.81Å; F222-L225 PolarHBondContact O-N 3.42Å | ||
| 223 | P | 65.2 | Low | 65 | Low | 102 Ų | 102 | 91.6 Ų | 91.6 | 66% | 0.662 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -13.3 | -171.9 | 25.7 | -35.5 | 0 | 0 | 0 | 114.4 | S219 | S219-P223 WeakPolarHBondContact O-CA 2.99Š|
| 224 | H | 65.4 | Low | 63 | Low | 174 Ų | 174 | 96.1 Ų | 96.1 | 81% | 0.806 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -5.5 | 178.8 | -58.2 | -58.1 | 0 | 0 | 0 | 113.8 | F222 | F222-H224 PolarHBondContact O-N 3.41Š|
| 225 | L | 64.7 | Low | 61 | Low | 26 Ų | 26 | 98.7 Ų | 98.7 | 14% | 0.136 | 52% | 0.515 | C | S | . | . | trans | -88.5 | 113.6 | 178.3 | -63.4 | -179.5 | 0 | 0 | 0 | 110.1 | V148 M191 F193 F222 F227 | V148-L225 HydrophobicContact CB-CD2 4.04Å; V148-L225 HydrophobicContact CG1-CD1 4.32Å; V148-L225 HydrophobicContact CG1-CD2 4.41Å; V148-L225 HydrophobicContact CG2-CD1 3.96Å; V148-L225 HydrophobicContact CG2-CD2 3.57Å; V148-L225 HydrophobicContact CG2-CG 4.45Å; M191-L225 HydrophobicContact CE-CD1 3.45Å; M191-L225 VanDerWaalsContact CE-CD1 3.45Å; F193-L225 HydrophobicContact CE1-CD1 4.34Å; F222-L225 HydrophobicContact CB-CB 4.23Å; F222-L225 HydrophobicContact CB-CD1 3.45Å; F222-L225 VanDerWaalsContact CB-CD1 3.45Å; F222-L225 HydrophobicContact CB-CG 3.76Å; F222-L225 HydrophobicContact CD1-CD1 4.23Å; F222-L225 HydrophobicContact CD2-CD1 4.43Å; F222-L225 HydrophobicContact CG-CD1 3.81Å; F222-L225 PolarHBondContact O-N 3.42Å; L225-F227 HydrophobicContact CB-CD2 4.23Å; L225-F227 HydrophobicContact CB-CE1 4.26Å; L225-F227 HydrophobicContact CB-CE2 3.52Å; L225-F227 HydrophobicContact CB-CZ 3.55Å; L225-F227 HydrophobicContact CD1-CE1 4.4Å; L225-F227 HydrophobicContact CD1-CE2 4.37Å; L225-F227 HydrophobicContact CD1-CZ 3.68Å; L225-F227 HydrophobicContact CG-CZ 4.27Å; L225-F227 WeakPolarHBondContact O-CD2 3.03Å; L225-F227 PolarHBondContact O-N 3.01Å | ||
| 226 | V | 61.3 | Low | 59.3 | Low | 98 Ų | 98 | 104.5 Ų | 104.5 | 59% | 0.594 | 56% | 0.556 | S | S | * | * | trans | -91.8 | 96.4 | 175.9 | -176.3 | 0 | 0 | 0 | 0 | 107.8 | S126 | S126-V226 VanDerWaalsContact CB-O 3.29Å; S126-V226 WeakPolarHBondContact CB-O 3.46Å | ||
| 227 | F | 64.4 | Low | 57.9 | Low | 20 Ų | 20 | 104.5 Ų | 104.5 | 9% | 0.088 | 56% | 0.557 | C | S | . | * | trans | -81.5 | 134.5 | 176.1 | -59.7 | -77.6 | 0 | 0 | 0 | 110.1 | L150 M191 L215 F218 L225 L229 | L150-F227 HydrophobicContact CD1-CD1 4.14Å; L150-F227 HydrophobicContact CD2-CD1 3.99Å; L150-F227 HydrophobicContact CD2-CE1 4.06Å; M191-F227 HydrophobicContact CE-CE1 3.74Å; M191-F227 HydrophobicContact CE-CZ 3.68Å; M191-F227 HydrophobicContact SD-CE1 4.08Å; M191-F227 HydrophobicContact SD-CZ 4.2Å; L215-F227 HydrophobicContact CD1-CD1 4.37Å; L215-F227 HydrophobicContact CD1-CE1 4.19Å; F218-F227 HydrophobicContact CB-CE2 3.84Å; F218-F227 HydrophobicContact CB-CZ 3.81Å; L225-F227 HydrophobicContact CB-CD2 4.23Å; L225-F227 HydrophobicContact CB-CE1 4.26Å; L225-F227 HydrophobicContact CB-CE2 3.52Å; L225-F227 HydrophobicContact CB-CZ 3.55Å; L225-F227 HydrophobicContact CD1-CE1 4.4Å; L225-F227 HydrophobicContact CD1-CE2 4.37Å; L225-F227 HydrophobicContact CD1-CZ 3.68Å; L225-F227 HydrophobicContact CG-CZ 4.27Å; L225-F227 WeakPolarHBondContact O-CD2 3.03Å; L225-F227 PolarHBondContact O-N 3.01Å; F227-L229 HydrophobicContact CB-CD1 4.2Å; F227-L229 HydrophobicContact CB-CD2 4.44Å; F227-L229 HydrophobicContact CB-CG 3.8Å; F227-L229 PolarHBondContact O-N 2.94Å | ||
| 228 | P | 54.9 | Low | 56.3 | Low | 87 Ų | 87 | 107.6 Ų | 107.6 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | trans | -70.4 | 79.9 | 162.1 | 25.5 | -23.3 | 0 | 0 | 0 | 108 | L150 E230 | L150-P228 HydrophobicContact CD1-CG 4.17Å; P228-E230 PolarHBondContact O-N 3.28Å | ||
| 229 | L | 53.2 | Low | 55.3 | Low | 85 Ų | 85 | 112 Ų | 112 | 45% | 0.445 | 62% | 0.616 | S | S | . | * | trans | -81.7 | 108.7 | 174 | -73.4 | 163.8 | 0 | 0 | 0 | 107.7 | L215 H216 F227 S231 | L215-L229 HydrophobicContact CD2-CD2 4.38Å; H216-L229 HydrophobicContact CB-CD2 4.45Å; F227-L229 HydrophobicContact CB-CD1 4.2Å; F227-L229 HydrophobicContact CB-CD2 4.44Å; F227-L229 HydrophobicContact CB-CG 3.8Å; F227-L229 PolarHBondContact O-N 2.94Å; L229-S231 PolarHBondContact O-N 3.42Å; L229-S231 VanDerWaalsContact O-N 3.14Å | ||
| 230 | E | 47.7 | Very low | 55.1 | Low | 185 Ų | 185 | 112.2 Ų | 112.2 | 86% | 0.864 | 61% | 0.611 | S | S | * | * | trans | -64.3 | 112.1 | 160.1 | -71 | -167.5 | 166.1 | 0 | 0 | 107.8 | P228 K232 | P228-E230 PolarHBondContact O-N 3.28Å; E230-K232 VanDerWaalsContact C-N 3.26Å; E230-K232 PolarHBondContact O-N 3.41Å | ||
| 231 | S | 39.9 | Very low | 55.2 | Low | 116 Ų | 116 | 110.7 Ų | 110.7 | 81% | 0.811 | 60% | 0.604 | S | S | * | * | trans | -68 | 87 | 169.2 | 59.2 | 0 | 0 | 0 | 0 | 108.8 | L229 | L229-S231 PolarHBondContact O-N 3.42Å; L229-S231 VanDerWaalsContact O-N 3.14Å | ||
| 232 | K | 40.7 | Very low | 55.6 | Low | 186 Ų | 186 | 104.4 Ų | 104.4 | 81% | 0.809 | 58% | 0.577 | S | S | * | * | trans | -100.5 | 74.1 | 160.1 | -129.4 | 177.1 | -174.2 | 176.3 | 0 | 109.1 | E230 N234 | E230-K232 VanDerWaalsContact C-N 3.26Å; E230-K232 PolarHBondContact O-N 3.41Å; K232-N234 PolarHBondContact O-N 2.72Å | ||
| 233 | E | 41.5 | Very low | 56.2 | Low | 179 Ų | 179 | 102.5 Ų | 102.5 | 84% | 0.836 | 57% | 0.57 | S | S | * | * | trans | -66.5 | 78.3 | 160 | -166.9 | 173.8 | -161.7 | 0 | 0 | 107.3 | ||||
| 234 | N | 40.1 | Very low | 57.4 | Low | 152 Ų | 152 | 97.9 Ų | 97.9 | 81% | 0.813 | 54% | 0.54 | S | S | * | . | trans | 171.9 | 75.6 | 160.1 | -89.7 | -20.7 | 0 | 0 | 0 | 110.5 | K232 | K232-N234 PolarHBondContact O-N 2.72Š| ||
| 235 | S | 36.8 | Very low | 58.7 | Low | 78 Ų | 78 | 89.6 Ų | 89.6 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | trans | -156.4 | 132.7 | 136.1 | 62.9 | 0 | 0 | 0 | 0 | 108.6 | E237 | S235-E237 PolarHBondContact O-N 2.79Å; S235-E237 PolarHBondContact OG-OE2 3.42Å | ||
| 236 | S | 40.2 | Very low | 60.1 | Low | 137 Ų | 137 | 90.6 Ų | 90.6 | 96% | 0.958 | 51% | 0.505 | S | S | * | . | trans | -69 | 55.3 | 167.8 | 54.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 237 | E | 45.9 | Very low | 61.7 | Low | 124 Ų | 124 | 86 Ų | 86 | 58% | 0.579 | 48% | 0.477 | S | S | * | . | trans | -105.8 | 131.9 | 180 | -80.2 | -169.8 | 143.5 | 0 | 0 | 111 | S235 S239 | S235-E237 PolarHBondContact O-N 2.79Å; S235-E237 PolarHBondContact OG-OE2 3.42Å; E237-S239 PolarHBondContact O-N 3.25Å | ||
| 238 | A | 45.8 | Very low | 63.1 | Low | 88 Ų | 88 | 90.4 Ų | 90.4 | 73% | 0.727 | 49% | 0.494 | S | S | * | . | trans | -49 | 133.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q240 | A238-Q240 PolarHBondContact O-N 3.45Š| ||
| 239 | S | 56.1 | Low | 63.5 | Low | 100 Ų | 100 | 90.6 Ų | 90.6 | 70% | 0.699 | 49% | 0.49 | S | S | * | . | trans | 2.9 | 75.3 | 158.1 | -48.7 | 0 | 0 | 0 | 0 | 115.6 | E237 Q241 | E237-S239 PolarHBondContact O-N 3.25Å; S239-Q241 PolarHBondContact O-N 2.69Å | ||
| 240 | Q | 69.6 | Low | 64.1 | Low | 59 Ų | 59 | 90.8 Ų | 90.8 | 28% | 0.276 | 49% | 0.493 | S | S | . | . | trans | -64.3 | 112.6 | 179 | -69.3 | -177.9 | -0.9 | 0 | 0 | 108.6 | T187 H189 P214 A238 | T187-Q240 PolarHBondContact O-OE1 2.89Å; H189-Q240 PolarHBondContact CE1-OE1 3.45Å; P214-Q240 WeakPolarHBondContact CA-O 3.47Å; P214-Q240 WeakPolarHBondContact CB-O 3.35Å; P214-Q240 WeakPolarHBondContact CG-O 3Å; A238-Q240 PolarHBondContact O-N 3.45Å | ||
| 241 | Q | 77.1 | Confident | 65 | Low | 118 Ų | 118 | 85.6 Ų | 85.6 | 55% | 0.551 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -76 | 148.6 | 178.8 | -66.5 | 173.7 | -11.7 | 0 | 0 | 110.3 | I211 S239 | I211-Q241 HydrophobicContact CG2-CB 3.77Å; I211-Q241 HydrophobicContact CG2-CG 4.01Å; S239-Q241 PolarHBondContact O-N 2.69Å |
| 242 | T | 83.1 | Confident | 66.5 | Low | 1 Ų | 1 | 83.8 Ų | 83.8 | 1% | 0.006 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 128.1 | 177.6 | -51.8 | 0 | 0 | 0 | 0 | 109.1 | H189 M191 G212 P213 L215 F218 V244 | H189-T242 HydrophobicContact CB-CG2 4.24Å; H189-T242 CarbonylContact O-C 3.54Å; H189-T242 VanDerWaalsContact O-CA 3.3Å; H189-T242 WeakPolarHBondContact O-CA 3.32Å; H189-T242 VanDerWaalsContact O-CG2 3.25Å; H189-T242 WeakPolarHBondContact O-CG2 3.47Å; M191-T242 HydrophobicContact CB-CG2 3.92Å; G212-T242 PolarHBondContact N-O 2.98Å; G212-T242 PolarHBondContact O-N 2.83Å; P213-T242 WeakPolarHBondContact O-CB 3.33Å; P213-T242 PolarHBondContact O-N 2.92Å; P213-T242 PolarHBondContact O-OG1 2.9Å; L215-T242 WeakPolarHBondContact CA-OG1 3.43Å; L215-T242 HydrophobicContact CD1-CG2 4.11Å; L215-T242 PolarHBondContact N-OG1 2.93Å; F218-T242 HydrophobicContact CE2-CG2 4.05Å; F218-T242 HydrophobicContact CZ-CG2 4.31Å; T242-V244 HydrophobicContact CG2-CG2 4.25Å; T242-V244 PolarHBondContact O-N 3.2Å |
| 243 | L | 87.3 | Confident | 68.1 | Low | 38 Ų | 38 | 77.4 Ų | 77.4 | 20% | 0.199 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 118 | 166 | -174.8 | 67.8 | 0 | 0 | 0 | 107.6 | H189 H190 M191 | H189-L243 PolarHBondContact O-N 3.09Å; H190-L243 WeakPolarHBondContact CA-O 3.05Å; H190-L243 PolarHBondContact CD2-O 3.12Å; H190-L243 VanDerWaalsContact CD2-O 3.28Å; M191-L243 PolarHBondContact N-O 3.48Å |
| 244 | V | 89.8 | Confident | 69.8 | Low | 4 Ų | 4 | 70.7 Ų | 70.7 | 2% | 0.024 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.9 | 177.6 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | M191 F193 S209 I210 F218 T242 F246 | M191-V244 CarbonylContact O-C 3.57Å; M191-V244 VanDerWaalsContact O-CA 3.28Å; M191-V244 WeakPolarHBondContact O-CA 3.3Å; F193-V244 HydrophobicContact CD2-CG1 3.59Å; F193-V244 HydrophobicContact CE2-CG1 3.57Å; S209-V244 CarbonylContact C-O 3.51Å; S209-V244 VanDerWaalsContact CA-O 3.23Å; S209-V244 WeakPolarHBondContact CA-O 3.18Å; I210-V244 HydrophobicContact CG1-CB 3.87Å; I210-V244 HydrophobicContact CG1-CG1 4.47Å; I210-V244 PolarHBondContact N-O 3.45Å; I210-V244 PolarHBondContact O-N 2.89Å; F218-V244 HydrophobicContact CE1-CG2 3.96Å; F218-V244 HydrophobicContact CZ-CG2 3.48Å; F218-V244 VanDerWaalsContact CZ-CG2 3.48Å; T242-V244 HydrophobicContact CG2-CG2 4.25Å; T242-V244 PolarHBondContact O-N 3.2Å; V244-F246 HydrophobicContact CG1-CD2 4.33Å; V244-F246 HydrophobicContact CG1-CE2 3.65Å; V244-F246 HydrophobicContact CG1-CZ 3.85Å |
| 245 | T | 92.8 | Very high | 72 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 133.3 | 176.8 | -54.3 | 0 | 0 | 0 | 0 | 111 | V173 H190 M191 S192 F193 A207 Y208 S209 V247 | V173-T245 VanDerWaalsContact CG1-CB 3.44Å; V173-T245 HydrophobicContact CG1-CG2 3.23Å; V173-T245 WeakPolarHBondContact CG1-OG1 3.39Å; H190-T245 PolarHBondContact NE2-OG1 3.44Å; M191-T245 PolarHBondContact O-N 3.38Å; S192-T245 CarbonylContact C-O 3.55Å; S192-T245 VanDerWaalsContact CA-O 3.3Å; S192-T245 WeakPolarHBondContact CA-O 3.24Å; F193-T245 PolarHBondContact N-O 3.02Å; A207-T245 HydrophobicContact CB-CG2 3.92Å; Y208-T245 WeakPolarHBondContact O-CA 3.4Å; S209-T245 WeakPolarHBondContact OG-CG2 3.5Å; S209-T245 PolarHBondContact OG-OG1 3Å; T245-V247 HydrophobicContact CG2-CG2 4.05Å |
| 246 | F | 94.3 | Very high | 74.7 | Confident | 48 Ų | 48 | 63.8 Ų | 63.8 | 21% | 0.211 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 127.2 | 171.6 | -62.2 | -92.2 | 0 | 0 | 0 | 108.4 | F193 A207 Y208 I210 V244 | F193-F246 HydrophobicContact CB-CD1 3.71Å; F193-F246 HydrophobicContact CB-CE1 4.03Å; F193-F246 HydrophobicContact CB-CG 4.47Å; F193-F246 HydrophobicContact CD2-CD1 4.14Å; F193-F246 AromaticContact CD2-CE1 3.68Å; F193-F246 HydrophobicContact CD2-CE1 3.68Å; F193-F246 HydrophobicContact CD2-CZ 4.01Å; F193-F246 HydrophobicContact CE2-CE1 4.31Å; F193-F246 HydrophobicContact CE2-CZ 4.37Å; F193-F246 HydrophobicContact CG-CD1 4.17Å; F193-F246 AromaticContact CG-CE1 3.96Å; F193-F246 HydrophobicContact CG-CE1 3.96Å; F193-F246 CarbonylContact O-C 3.52Å; F193-F246 WeakPolarHBondContact O-CA 3.33Å; A207-F246 WeakPolarHBondContact CA-O 3.46Å; A207-F246 WeakPolarHBondContact CB-O 3.37Å; Y208-F246 HydrophobicContact CD1-CB 4.12Å; Y208-F246 HydrophobicContact CD2-CD2 4.19Å; Y208-F246 HydrophobicContact CE1-CB 3.54Å; Y208-F246 HydrophobicContact CE1-CD2 4.31Å; Y208-F246 HydrophobicContact CE1-CG 4.14Å; Y208-F246 HydrophobicContact CE2-CB 4.21Å; Y208-F246 AromaticContact CE2-CD2 3.42Å; Y208-F246 HydrophobicContact CE2-CD2 3.42Å; Y208-F246 VanDerWaalsContact CE2-CD2 3.42Å; Y208-F246 HydrophobicContact CE2-CE2 4.1Å; Y208-F246 HydrophobicContact CE2-CG 4.07Å; Y208-F246 AromaticContact CZ-CD2 3.48Å; Y208-F246 VanDerWaalsContact CZ-CD2 3.48Å; Y208-F246 AromaticContact CZ-CG 3.63Å; Y208-F246 PolarHBondContact N-O 3.48Å; Y208-F246 VanDerWaalsContact N-O 3.08Å; Y208-F246 PolarHBondContact O-N 2.81Å; Y208-F246 WeakPolarHBondContact OH-CD2 3.26Å; Y208-F246 WeakPolarHBondContact OH-CG 3.45Å; I210-F246 HydrophobicContact CD1-CE2 3.89Å; I210-F246 HydrophobicContact CG1-CE2 4.15Å; V244-F246 HydrophobicContact CG1-CD2 4.33Å; V244-F246 HydrophobicContact CG1-CE2 3.65Å; V244-F246 HydrophobicContact CG1-CZ 3.85Å |
| 247 | V | 95.5 | Very high | 77.5 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 130.1 | -178.9 | -172.2 | 0 | 0 | 0 | 0 | 108.9 | L155 I171 F193 V194 D195 I198 L205 K206 A207 T245 | L155-V247 HydrophobicContact CD2-CG1 3.87Å; I171-V247 HydrophobicContact CG2-CG1 4.39Å; F193-V247 PolarHBondContact O-N 3.11Å; V194-V247 HydrophobicContact CB-CB 4.43Å; V194-V247 HydrophobicContact CG1-CB 4.32Å; V194-V247 HydrophobicContact CG1-CG1 4.49Å; V194-V247 HydrophobicContact CG2-CB 4.15Å; V194-V247 HydrophobicContact CG2-CG2 4.2Å; D195-V247 PolarHBondContact N-O 3.39Å; I198-V247 HydrophobicContact CD1-CG1 4.42Å; L205-V247 HydrophobicContact CD1-CG1 3.54Å; L205-V247 HydrophobicContact CG-CG1 4.24Å; K206-V247 WeakPolarHBondContact O-CA 3.19Å; A207-V247 HydrophobicContact CB-CG2 4.05Å; T245-V247 HydrophobicContact CG2-CG2 4.05Å |
| 248 | Y | 93.4 | Very high | 80.4 | Confident | 111 Ų | 111 | 51.7 Ų | 51.7 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | trans | -157.9 | 0 | -174.5 | 65.1 | -84.8 | 0 | 0 | 0 | 112.6 | I198 K206 Y208 | I198-Y248 VanDerWaalsContact CG2-OXT 3.29Å; I198-Y248 WeakPolarHBondContact CG2-OXT 3.13Å; K206-Y248 HydrophobicContact CB-CD2 4.32Å; K206-Y248 HydrophobicContact CB-CE1 4.04Å; K206-Y248 HydrophobicContact CB-CE2 3.82Å; K206-Y248 HydrophobicContact CD-CE2 3.81Å; K206-Y248 HydrophobicContact CG-CE2 4.44Å; K206-Y248 PolarHBondContact N-O 3.05Å; K206-Y248 PolarHBondContact O-N 3.48Å; Y208-Y248 AromaticContact CD1-CE1 3.81Å; Y208-Y248 HydrophobicContact CD1-CE1 3.81Å; Y208-Y248 HydrophobicContact CE1-CD1 4.49Å; Y208-Y248 AromaticContact CE1-CE1 3.93Å; Y208-Y248 HydrophobicContact CE1-CE1 3.93Å |
Retrieved 248 of 248 residues in 238.5 ms
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